data_26661 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26661 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for SRC in the 6'-sialyllactose-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 . . . . 26661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 566 26661 '15N chemical shifts' 140 26661 '1H chemical shifts' 959 26661 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 . 26661 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26659 src 26661 BMRB 26660 src-lactose 26661 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26661 _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. . . . 26661 1 2 Atsushi Kuno A. . . . 26661 1 3 Sachiko Unno S. . . . 26661 1 4 Jun Hirabayashi J. . . . 26661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26661 _Assembly.ID 1 _Assembly.Name src-6'-sialyllactose _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 "In the 6'-sialyllactose-bound state." _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 yes no . . . 26661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_src _Entity.Sf_category entity _Entity.Sf_framecode src _Entity.Entry_ID 26661 _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 . 26661 1 2 132 LYS . 26661 1 3 133 PHE . 26661 1 4 134 PHE . 26661 1 5 135 TYR . 26661 1 6 136 ILE . 26661 1 7 137 LYS . 26661 1 8 138 SER . 26661 1 9 139 GLU . 26661 1 10 140 LEU . 26661 1 11 141 ASN . 26661 1 12 142 GLY . 26661 1 13 143 LYS . 26661 1 14 144 VAL . 26661 1 15 145 LEU . 26661 1 16 146 ASP . 26661 1 17 147 ILE . 26661 1 18 148 GLY . 26661 1 19 149 GLY . 26661 1 20 150 GLN . 26661 1 21 151 ASN . 26661 1 22 152 PRO . 26661 1 23 153 ALA . 26661 1 24 154 PRO . 26661 1 25 155 GLY . 26661 1 26 156 SER . 26661 1 27 157 LYS . 26661 1 28 158 ILE . 26661 1 29 159 ILE . 26661 1 30 160 THR . 26661 1 31 161 TRP . 26661 1 32 162 ASP . 26661 1 33 163 GLN . 26661 1 34 164 LYS . 26661 1 35 165 LYS . 26661 1 36 166 GLY . 26661 1 37 167 PRO . 26661 1 38 168 THR . 26661 1 39 169 ALA . 26661 1 40 170 VAL . 26661 1 41 171 ASN . 26661 1 42 172 GLN . 26661 1 43 173 LEU . 26661 1 44 174 TRP . 26661 1 45 175 TYR . 26661 1 46 176 THR . 26661 1 47 177 ASP . 26661 1 48 178 GLN . 26661 1 49 179 GLN . 26661 1 50 180 GLY . 26661 1 51 181 VAL . 26661 1 52 182 ILE . 26661 1 53 183 ARG . 26661 1 54 184 SER . 26661 1 55 185 LYS . 26661 1 56 186 LEU . 26661 1 57 187 ASN . 26661 1 58 188 ASP . 26661 1 59 189 PHE . 26661 1 60 190 ALA . 26661 1 61 191 ILE . 26661 1 62 192 ASP . 26661 1 63 193 ALA . 26661 1 64 194 SER . 26661 1 65 195 HIS . 26661 1 66 196 GLU . 26661 1 67 197 GLN . 26661 1 68 198 ILE . 26661 1 69 199 GLU . 26661 1 70 200 THR . 26661 1 71 201 GLN . 26661 1 72 202 PRO . 26661 1 73 203 PHE . 26661 1 74 204 ASP . 26661 1 75 205 PRO . 26661 1 76 206 ASN . 26661 1 77 207 ASN . 26661 1 78 208 PRO . 26661 1 79 209 LYS . 26661 1 80 210 ARG . 26661 1 81 211 ALA . 26661 1 82 212 TRP . 26661 1 83 213 ILE . 26661 1 84 214 VAL . 26661 1 85 215 SER . 26661 1 86 216 GLY . 26661 1 87 217 ASN . 26661 1 88 218 THR . 26661 1 89 219 ILE . 26661 1 90 220 ALA . 26661 1 91 221 GLN . 26661 1 92 222 LEU . 26661 1 93 223 SER . 26661 1 94 224 ASP . 26661 1 95 225 ARG . 26661 1 96 226 ASP . 26661 1 97 227 ASN . 26661 1 98 228 VAL . 26661 1 99 229 LEU . 26661 1 100 230 GLY . 26661 1 101 231 VAL . 26661 1 102 232 ILE . 26661 1 103 233 LYS . 26661 1 104 234 SER . 26661 1 105 235 ASP . 26661 1 106 236 LYS . 26661 1 107 237 GLY . 26661 1 108 238 ALA . 26661 1 109 239 SER . 26661 1 110 240 ALA . 26661 1 111 241 HIS . 26661 1 112 242 ILE . 26661 1 113 243 CYS . 26661 1 114 244 ALA . 26661 1 115 245 TRP . 26661 1 116 246 LYS . 26661 1 117 247 GLN . 26661 1 118 248 HIS . 26661 1 119 249 GLY . 26661 1 120 250 GLY . 26661 1 121 251 PRO . 26661 1 122 252 ASN . 26661 1 123 253 GLN . 26661 1 124 254 LYS . 26661 1 125 255 PHE . 26661 1 126 256 ILE . 26661 1 127 257 ILE . 26661 1 128 258 GLU . 26661 1 129 259 SER . 26661 1 130 260 GLU . 26661 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 26661 1 . LYS 2 2 26661 1 . PHE 3 3 26661 1 . PHE 4 4 26661 1 . TYR 5 5 26661 1 . ILE 6 6 26661 1 . LYS 7 7 26661 1 . SER 8 8 26661 1 . GLU 9 9 26661 1 . LEU 10 10 26661 1 . ASN 11 11 26661 1 . GLY 12 12 26661 1 . LYS 13 13 26661 1 . VAL 14 14 26661 1 . LEU 15 15 26661 1 . ASP 16 16 26661 1 . ILE 17 17 26661 1 . GLY 18 18 26661 1 . GLY 19 19 26661 1 . GLN 20 20 26661 1 . ASN 21 21 26661 1 . PRO 22 22 26661 1 . ALA 23 23 26661 1 . PRO 24 24 26661 1 . GLY 25 25 26661 1 . SER 26 26 26661 1 . LYS 27 27 26661 1 . ILE 28 28 26661 1 . ILE 29 29 26661 1 . THR 30 30 26661 1 . TRP 31 31 26661 1 . ASP 32 32 26661 1 . GLN 33 33 26661 1 . LYS 34 34 26661 1 . LYS 35 35 26661 1 . GLY 36 36 26661 1 . PRO 37 37 26661 1 . THR 38 38 26661 1 . ALA 39 39 26661 1 . VAL 40 40 26661 1 . ASN 41 41 26661 1 . GLN 42 42 26661 1 . LEU 43 43 26661 1 . TRP 44 44 26661 1 . TYR 45 45 26661 1 . THR 46 46 26661 1 . ASP 47 47 26661 1 . GLN 48 48 26661 1 . GLN 49 49 26661 1 . GLY 50 50 26661 1 . VAL 51 51 26661 1 . ILE 52 52 26661 1 . ARG 53 53 26661 1 . SER 54 54 26661 1 . LYS 55 55 26661 1 . LEU 56 56 26661 1 . ASN 57 57 26661 1 . ASP 58 58 26661 1 . PHE 59 59 26661 1 . ALA 60 60 26661 1 . ILE 61 61 26661 1 . ASP 62 62 26661 1 . ALA 63 63 26661 1 . SER 64 64 26661 1 . HIS 65 65 26661 1 . GLU 66 66 26661 1 . GLN 67 67 26661 1 . ILE 68 68 26661 1 . GLU 69 69 26661 1 . THR 70 70 26661 1 . GLN 71 71 26661 1 . PRO 72 72 26661 1 . PHE 73 73 26661 1 . ASP 74 74 26661 1 . PRO 75 75 26661 1 . ASN 76 76 26661 1 . ASN 77 77 26661 1 . PRO 78 78 26661 1 . LYS 79 79 26661 1 . ARG 80 80 26661 1 . ALA 81 81 26661 1 . TRP 82 82 26661 1 . ILE 83 83 26661 1 . VAL 84 84 26661 1 . SER 85 85 26661 1 . GLY 86 86 26661 1 . ASN 87 87 26661 1 . THR 88 88 26661 1 . ILE 89 89 26661 1 . ALA 90 90 26661 1 . GLN 91 91 26661 1 . LEU 92 92 26661 1 . SER 93 93 26661 1 . ASP 94 94 26661 1 . ARG 95 95 26661 1 . ASP 96 96 26661 1 . ASN 97 97 26661 1 . VAL 98 98 26661 1 . LEU 99 99 26661 1 . GLY 100 100 26661 1 . VAL 101 101 26661 1 . ILE 102 102 26661 1 . LYS 103 103 26661 1 . SER 104 104 26661 1 . ASP 105 105 26661 1 . LYS 106 106 26661 1 . GLY 107 107 26661 1 . ALA 108 108 26661 1 . SER 109 109 26661 1 . ALA 110 110 26661 1 . HIS 111 111 26661 1 . ILE 112 112 26661 1 . CYS 113 113 26661 1 . ALA 114 114 26661 1 . TRP 115 115 26661 1 . LYS 116 116 26661 1 . GLN 117 117 26661 1 . HIS 118 118 26661 1 . GLY 119 119 26661 1 . GLY 120 120 26661 1 . PRO 121 121 26661 1 . ASN 122 122 26661 1 . GLN 123 123 26661 1 . LYS 124 124 26661 1 . PHE 125 125 26661 1 . ILE 126 126 26661 1 . ILE 127 127 26661 1 . GLU 128 128 26661 1 . SER 129 129 26661 1 . GLU 130 130 26661 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26661 _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 . . . . . . . . . . . . . 26661 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 26661 _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 . . . 26661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26661 _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 . . . . 26661 1 2 6'-sialyllactose 'natural abundance' . . . . . . 72 . . mM . . . . 26661 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26661 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26661 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 26661 _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 26661 1 pressure 1 . atm 26661 1 temperature 288 . K 26661 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 26661 _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.' . . 26661 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26661 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26661 _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' . . 26661 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26661 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26661 _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 . . 26661 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26661 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 26661 _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 26661 _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 26661 _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 . . . 26661 1 2 spectrometer_2 Bruker Avance . 800 . . . 26661 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 26661 _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 . . . . . . . . . . . . . . . . 26661 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26661 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 26661 _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 . . . . . 26661 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 26661 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26661 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 26661 _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' . . . 26661 1 2 '2D 1H-13C HSQC aromatic' . . . 26661 1 3 '3D CBCA(CO)NH' . . . 26661 1 4 '3D C(CO)NH' . . . 26661 1 5 '3D HNCO' . . . 26661 1 6 '3D HNCA' . . . 26661 1 7 '3D HNCACB' . . . 26661 1 8 '3D H(CCO)NH' . . . 26661 1 9 '3D HCCH-TOCSY' . . . 26661 1 10 '3D 1H-15N TOCSY' . . . 26661 1 11 '3D 1H-13C NOESY aromatic' . . . 26661 1 12 '3D HCCH-COSY' . . . 26661 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 4.435 . . 1 . . . . 131 P HA . 26661 1 2 . 1 1 1 1 PRO HB2 H 1 2.138 . . 1 . . . . 131 P HB2 . 26661 1 3 . 1 1 1 1 PRO HB3 H 1 1.472 . . 1 . . . . 131 P HB3 . 26661 1 4 . 1 1 1 1 PRO HG2 H 1 1.757 . . 2 . . . . 131 P HG# . 26661 1 5 . 1 1 1 1 PRO HG3 H 1 1.757 . . 2 . . . . 131 P HG# . 26661 1 6 . 1 1 1 1 PRO HD2 H 1 3.850 . . 1 . . . . 131 P HD2 . 26661 1 7 . 1 1 1 1 PRO HD3 H 1 3.594 . . 1 . . . . 131 P HD3 . 26661 1 8 . 1 1 1 1 PRO C C 13 175.480 . . 1 . . . . 131 P C . 26661 1 9 . 1 1 1 1 PRO CA C 13 62.778 . . 1 . . . . 131 P CA . 26661 1 10 . 1 1 1 1 PRO CB C 13 32.367 . . 1 . . . . 131 P CB . 26661 1 11 . 1 1 1 1 PRO CG C 13 27.261 . . 1 . . . . 131 P CG . 26661 1 12 . 1 1 1 1 PRO CD C 13 50.710 . . 1 . . . . 131 P CD . 26661 1 13 . 1 1 2 2 LYS H H 1 8.202 . . 1 . . . . 132 K H . 26661 1 14 . 1 1 2 2 LYS HA H 1 4.344 . . 1 . . . . 132 K HA . 26661 1 15 . 1 1 2 2 LYS HB2 H 1 1.841 . . 2 . . . . 132 K HB# . 26661 1 16 . 1 1 2 2 LYS HB3 H 1 1.841 . . 2 . . . . 132 K HB# . 26661 1 17 . 1 1 2 2 LYS HG2 H 1 1.465 . . 1 . . . . 132 K HG2 . 26661 1 18 . 1 1 2 2 LYS HG3 H 1 1.293 . . 1 . . . . 132 K HG3 . 26661 1 19 . 1 1 2 2 LYS HD2 H 1 1.772 . . 2 . . . . 132 K HD# . 26661 1 20 . 1 1 2 2 LYS HD3 H 1 1.772 . . 2 . . . . 132 K HD# . 26661 1 21 . 1 1 2 2 LYS HE2 H 1 3.016 . . 2 . . . . 132 K HE# . 26661 1 22 . 1 1 2 2 LYS HE3 H 1 3.016 . . 2 . . . . 132 K HE# . 26661 1 23 . 1 1 2 2 LYS C C 13 175.737 . . 1 . . . . 132 K C . 26661 1 24 . 1 1 2 2 LYS CA C 13 56.339 . . 1 . . . . 132 K CA . 26661 1 25 . 1 1 2 2 LYS CB C 13 33.365 . . 1 . . . . 132 K CB . 26661 1 26 . 1 1 2 2 LYS CG C 13 24.820 . . 1 . . . . 132 K CG . 26661 1 27 . 1 1 2 2 LYS CD C 13 29.665 . . 1 . . . . 132 K CD . 26661 1 28 . 1 1 2 2 LYS CE C 13 42.169 . . 1 . . . . 132 K CE . 26661 1 29 . 1 1 2 2 LYS N N 15 121.400 . . 1 . . . . 132 K N . 26661 1 30 . 1 1 3 3 PHE H H 1 8.378 . . 1 . . . . 133 F H . 26661 1 31 . 1 1 3 3 PHE HA H 1 5.712 . . 1 . . . . 133 F HA . 26661 1 32 . 1 1 3 3 PHE HB2 H 1 3.063 . . 2 . . . . 133 F HB# . 26661 1 33 . 1 1 3 3 PHE HB3 H 1 3.063 . . 2 . . . . 133 F HB# . 26661 1 34 . 1 1 3 3 PHE HD1 H 1 7.330 . . 3 . . . . 133 F HD# . 26661 1 35 . 1 1 3 3 PHE HD2 H 1 7.330 . . 3 . . . . 133 F HD# . 26661 1 36 . 1 1 3 3 PHE HE1 H 1 7.213 . . 3 . . . . 133 F HE# . 26661 1 37 . 1 1 3 3 PHE HE2 H 1 7.213 . . 3 . . . . 133 F HE# . 26661 1 38 . 1 1 3 3 PHE HZ H 1 6.985 . . 1 . . . . 133 F HZ . 26661 1 39 . 1 1 3 3 PHE C C 13 176.454 . . 1 . . . . 133 F C . 26661 1 40 . 1 1 3 3 PHE CA C 13 56.654 . . 1 . . . . 133 F CA . 26661 1 41 . 1 1 3 3 PHE CB C 13 42.342 . . 1 . . . . 133 F CB . 26661 1 42 . 1 1 3 3 PHE CD1 C 13 132.162 . . 3 . . . . 133 F CD# . 26661 1 43 . 1 1 3 3 PHE CD2 C 13 132.162 . . 3 . . . . 133 F CD# . 26661 1 44 . 1 1 3 3 PHE CE1 C 13 131.100 . . 3 . . . . 133 F CE# . 26661 1 45 . 1 1 3 3 PHE CE2 C 13 131.100 . . 3 . . . . 133 F CE# . 26661 1 46 . 1 1 3 3 PHE CZ C 13 128.021 . . 1 . . . . 133 F CZ . 26661 1 47 . 1 1 3 3 PHE N N 15 119.096 . . 1 . . . . 133 F N . 26661 1 48 . 1 1 4 4 PHE H H 1 9.476 . . 1 . . . . 134 F H . 26661 1 49 . 1 1 4 4 PHE HA H 1 5.579 . . 1 . . . . 134 F HA . 26661 1 50 . 1 1 4 4 PHE HB2 H 1 3.071 . . 2 . . . . 134 F HB# . 26661 1 51 . 1 1 4 4 PHE HB3 H 1 3.071 . . 2 . . . . 134 F HB# . 26661 1 52 . 1 1 4 4 PHE HD1 H 1 7.331 . . 3 . . . . 134 F HD# . 26661 1 53 . 1 1 4 4 PHE HD2 H 1 7.331 . . 3 . . . . 134 F HD# . 26661 1 54 . 1 1 4 4 PHE HE1 H 1 7.241 . . 3 . . . . 134 F HE# . 26661 1 55 . 1 1 4 4 PHE HE2 H 1 7.241 . . 3 . . . . 134 F HE# . 26661 1 56 . 1 1 4 4 PHE HZ H 1 7.010 . . 1 . . . . 134 F HZ . 26661 1 57 . 1 1 4 4 PHE C C 13 174.405 . . 1 . . . . 134 F C . 26661 1 58 . 1 1 4 4 PHE CA C 13 55.673 . . 1 . . . . 134 F CA . 26661 1 59 . 1 1 4 4 PHE CB C 13 42.400 . . 1 . . . . 134 F CB . 26661 1 60 . 1 1 4 4 PHE CD1 C 13 132.177 . . 3 . . . . 134 F CD# . 26661 1 61 . 1 1 4 4 PHE CD2 C 13 132.177 . . 3 . . . . 134 F CD# . 26661 1 62 . 1 1 4 4 PHE CE1 C 13 130.187 . . 3 . . . . 134 F CE# . 26661 1 63 . 1 1 4 4 PHE CE2 C 13 130.187 . . 3 . . . . 134 F CE# . 26661 1 64 . 1 1 4 4 PHE CZ C 13 127.966 . . 1 . . . . 134 F CZ . 26661 1 65 . 1 1 4 4 PHE N N 15 117.314 . . 1 . . . . 134 F N . 26661 1 66 . 1 1 5 5 TYR H H 1 10.029 . . 1 . . . . 135 Y H . 26661 1 67 . 1 1 5 5 TYR HA H 1 5.403 . . 1 . . . . 135 Y HA . 26661 1 68 . 1 1 5 5 TYR HB2 H 1 3.297 . . 1 . . . . 135 Y HB2 . 26661 1 69 . 1 1 5 5 TYR HB3 H 1 3.127 . . 1 . . . . 135 Y HB3 . 26661 1 70 . 1 1 5 5 TYR HD1 H 1 7.203 . . 3 . . . . 135 Y HD# . 26661 1 71 . 1 1 5 5 TYR HD2 H 1 7.203 . . 3 . . . . 135 Y HD# . 26661 1 72 . 1 1 5 5 TYR HE1 H 1 6.765 . . 3 . . . . 135 Y HE# . 26661 1 73 . 1 1 5 5 TYR HE2 H 1 6.765 . . 3 . . . . 135 Y HE# . 26661 1 74 . 1 1 5 5 TYR C C 13 176.337 . . 1 . . . . 135 Y C . 26661 1 75 . 1 1 5 5 TYR CA C 13 56.991 . . 1 . . . . 135 Y CA . 26661 1 76 . 1 1 5 5 TYR CB C 13 41.713 . . 1 . . . . 135 Y CB . 26661 1 77 . 1 1 5 5 TYR CD1 C 13 134.422 . . 3 . . . . 135 Y CD# . 26661 1 78 . 1 1 5 5 TYR CD2 C 13 134.422 . . 3 . . . . 135 Y CD# . 26661 1 79 . 1 1 5 5 TYR CE1 C 13 117.905 . . 3 . . . . 135 Y CE# . 26661 1 80 . 1 1 5 5 TYR CE2 C 13 117.905 . . 3 . . . . 135 Y CE# . 26661 1 81 . 1 1 5 5 TYR N N 15 117.608 . . 1 . . . . 135 Y N . 26661 1 82 . 1 1 6 6 ILE H H 1 9.800 . . 1 . . . . 136 I H . 26661 1 83 . 1 1 6 6 ILE HA H 1 4.686 . . 1 . . . . 136 I HA . 26661 1 84 . 1 1 6 6 ILE HB H 1 1.514 . . 1 . . . . 136 I HB . 26661 1 85 . 1 1 6 6 ILE HG12 H 1 1.788 . . 1 . . . . 136 I HG12 . 26661 1 86 . 1 1 6 6 ILE HG13 H 1 0.867 . . 1 . . . . 136 I HG13 . 26661 1 87 . 1 1 6 6 ILE HG21 H 1 0.501 . . 1 . . . . 136 I HG2 . 26661 1 88 . 1 1 6 6 ILE HG22 H 1 0.501 . . 1 . . . . 136 I HG2 . 26661 1 89 . 1 1 6 6 ILE HG23 H 1 0.501 . . 1 . . . . 136 I HG2 . 26661 1 90 . 1 1 6 6 ILE HD11 H 1 0.003 . . 1 . . . . 136 I HD1 . 26661 1 91 . 1 1 6 6 ILE HD12 H 1 0.003 . . 1 . . . . 136 I HD1 . 26661 1 92 . 1 1 6 6 ILE HD13 H 1 0.003 . . 1 . . . . 136 I HD1 . 26661 1 93 . 1 1 6 6 ILE C C 13 174.068 . . 1 . . . . 136 I C . 26661 1 94 . 1 1 6 6 ILE CA C 13 61.848 . . 1 . . . . 136 I CA . 26661 1 95 . 1 1 6 6 ILE CB C 13 38.990 . . 1 . . . . 136 I CB . 26661 1 96 . 1 1 6 6 ILE N N 15 121.905 . . 1 . . . . 136 I N . 26661 1 97 . 1 1 7 7 LYS H H 1 9.708 . . 1 . . . . 137 K H . 26661 1 98 . 1 1 7 7 LYS HA H 1 5.069 . . 1 . . . . 137 K HA . 26661 1 99 . 1 1 7 7 LYS HB2 H 1 2.120 . . 2 . . . . 137 K HB# . 26661 1 100 . 1 1 7 7 LYS HB3 H 1 2.120 . . 2 . . . . 137 K HB# . 26661 1 101 . 1 1 7 7 LYS HG2 H 1 1.425 . . 2 . . . . 137 K HG# . 26661 1 102 . 1 1 7 7 LYS HG3 H 1 1.425 . . 2 . . . . 137 K HG# . 26661 1 103 . 1 1 7 7 LYS HD2 H 1 1.800 . . 2 . . . . 137 K HD# . 26661 1 104 . 1 1 7 7 LYS HD3 H 1 1.800 . . 2 . . . . 137 K HD# . 26661 1 105 . 1 1 7 7 LYS HE2 H 1 2.655 . . 2 . . . . 137 K HE# . 26661 1 106 . 1 1 7 7 LYS HE3 H 1 2.655 . . 2 . . . . 137 K HE# . 26661 1 107 . 1 1 7 7 LYS C C 13 175.737 . . 1 . . . . 137 K C . 26661 1 108 . 1 1 7 7 LYS CA C 13 55.015 . . 1 . . . . 137 K CA . 26661 1 109 . 1 1 7 7 LYS CB C 13 34.996 . . 1 . . . . 137 K CB . 26661 1 110 . 1 1 7 7 LYS CE C 13 41.372 . . 1 . . . . 137 K CE . 26661 1 111 . 1 1 7 7 LYS N N 15 127.913 . . 1 . . . . 137 K N . 26661 1 112 . 1 1 8 8 SER H H 1 9.498 . . 1 . . . . 138 S H . 26661 1 113 . 1 1 8 8 SER HA H 1 4.383 . . 1 . . . . 138 S HA . 26661 1 114 . 1 1 8 8 SER HB2 H 1 3.801 . . 2 . . . . 138 S HB# . 26661 1 115 . 1 1 8 8 SER HB3 H 1 3.801 . . 2 . . . . 138 S HB# . 26661 1 116 . 1 1 8 8 SER C C 13 177.390 . . 1 . . . . 138 S C . 26661 1 117 . 1 1 8 8 SER CA C 13 58.131 . . 1 . . . . 138 S CA . 26661 1 118 . 1 1 8 8 SER CB C 13 64.175 . . 1 . . . . 138 S CB . 26661 1 119 . 1 1 8 8 SER N N 15 120.370 . . 1 . . . . 138 S N . 26661 1 120 . 1 1 9 9 GLU H H 1 8.203 . . 1 . . . . 139 E H . 26661 1 121 . 1 1 9 9 GLU HA H 1 4.210 . . 1 . . . . 139 E HA . 26661 1 122 . 1 1 9 9 GLU HB2 H 1 2.165 . . 1 . . . . 139 E HB2 . 26661 1 123 . 1 1 9 9 GLU HB3 H 1 1.884 . . 1 . . . . 139 E HB3 . 26661 1 124 . 1 1 9 9 GLU HG2 H 1 2.202 . . 2 . . . . 139 E HG# . 26661 1 125 . 1 1 9 9 GLU HG3 H 1 2.202 . . 2 . . . . 139 E HG# . 26661 1 126 . 1 1 9 9 GLU C C 13 176.607 . . 1 . . . . 139 E C . 26661 1 127 . 1 1 9 9 GLU CA C 13 58.922 . . 1 . . . . 139 E CA . 26661 1 128 . 1 1 9 9 GLU CB C 13 29.977 . . 1 . . . . 139 E CB . 26661 1 129 . 1 1 9 9 GLU CG C 13 37.020 . . 1 . . . . 139 E CG . 26661 1 130 . 1 1 9 9 GLU N N 15 129.398 . . 1 . . . . 139 E N . 26661 1 131 . 1 1 10 10 LEU H H 1 7.685 . . 1 . . . . 140 L H . 26661 1 132 . 1 1 10 10 LEU HA H 1 4.152 . . 1 . . . . 140 L HA . 26661 1 133 . 1 1 10 10 LEU HB2 H 1 1.646 . . 1 . . . . 140 L HB2 . 26661 1 134 . 1 1 10 10 LEU HB3 H 1 1.203 . . 1 . . . . 140 L HB3 . 26661 1 135 . 1 1 10 10 LEU HG H 1 1.485 . . 1 . . . . 140 L HG . 26661 1 136 . 1 1 10 10 LEU HD11 H 1 0.969 . . 2 . . . . 140 L HD# . 26661 1 137 . 1 1 10 10 LEU HD12 H 1 0.969 . . 2 . . . . 140 L HD# . 26661 1 138 . 1 1 10 10 LEU HD13 H 1 0.969 . . 2 . . . . 140 L HD# . 26661 1 139 . 1 1 10 10 LEU HD21 H 1 0.969 . . 2 . . . . 140 L HD# . 26661 1 140 . 1 1 10 10 LEU HD22 H 1 0.969 . . 2 . . . . 140 L HD# . 26661 1 141 . 1 1 10 10 LEU HD23 H 1 0.969 . . 2 . . . . 140 L HD# . 26661 1 142 . 1 1 10 10 LEU C C 13 177.339 . . 1 . . . . 140 L C . 26661 1 143 . 1 1 10 10 LEU CA C 13 57.180 . . 1 . . . . 140 L CA . 26661 1 144 . 1 1 10 10 LEU CB C 13 42.898 . . 1 . . . . 140 L CB . 26661 1 145 . 1 1 10 10 LEU CG C 13 26.169 . . 1 . . . . 140 L CG . 26661 1 146 . 1 1 10 10 LEU CD1 C 13 23.704 . . 2 . . . . 140 L CD# . 26661 1 147 . 1 1 10 10 LEU CD2 C 13 23.704 . . 2 . . . . 140 L CD# . 26661 1 148 . 1 1 10 10 LEU N N 15 118.216 . . 1 . . . . 140 L N . 26661 1 149 . 1 1 11 11 ASN H H 1 7.019 . . 1 . . . . 141 N H . 26661 1 150 . 1 1 11 11 ASN HA H 1 5.044 . . 1 . . . . 141 N HA . 26661 1 151 . 1 1 11 11 ASN HB2 H 1 3.314 . . 1 . . . . 141 N HB2 . 26661 1 152 . 1 1 11 11 ASN HB3 H 1 2.608 . . 1 . . . . 141 N HB3 . 26661 1 153 . 1 1 11 11 ASN C C 13 176.505 . . 1 . . . . 141 N C . 26661 1 154 . 1 1 11 11 ASN CA C 13 51.415 . . 1 . . . . 141 N CA . 26661 1 155 . 1 1 11 11 ASN CB C 13 39.855 . . 1 . . . . 141 N CB . 26661 1 156 . 1 1 11 11 ASN N N 15 109.201 . . 1 . . . . 141 N N . 26661 1 157 . 1 1 12 12 GLY H H 1 8.091 . . 1 . . . . 142 G H . 26661 1 158 . 1 1 12 12 GLY HA2 H 1 4.175 . . 1 . . . . 142 G HA2 . 26661 1 159 . 1 1 12 12 GLY HA3 H 1 3.918 . . 1 . . . . 142 G HA3 . 26661 1 160 . 1 1 12 12 GLY C C 13 173.593 . . 1 . . . . 142 G C . 26661 1 161 . 1 1 12 12 GLY CA C 13 46.490 . . 1 . . . . 142 G CA . 26661 1 162 . 1 1 12 12 GLY N N 15 108.594 . . 1 . . . . 142 G N . 26661 1 163 . 1 1 13 13 LYS H H 1 8.044 . . 1 . . . . 143 K H . 26661 1 164 . 1 1 13 13 LYS HA H 1 4.585 . . 1 . . . . 143 K HA . 26661 1 165 . 1 1 13 13 LYS HB2 H 1 1.948 . . 1 . . . . 143 K HB2 . 26661 1 166 . 1 1 13 13 LYS HB3 H 1 1.857 . . 1 . . . . 143 K HB3 . 26661 1 167 . 1 1 13 13 LYS HG2 H 1 1.454 . . 1 . . . . 143 K HG2 . 26661 1 168 . 1 1 13 13 LYS HG3 H 1 1.308 . . 1 . . . . 143 K HG3 . 26661 1 169 . 1 1 13 13 LYS HD2 H 1 1.613 . . 2 . . . . 143 K HD# . 26661 1 170 . 1 1 13 13 LYS HD3 H 1 1.613 . . 2 . . . . 143 K HD# . 26661 1 171 . 1 1 13 13 LYS HE2 H 1 2.945 . . 2 . . . . 143 K HE# . 26661 1 172 . 1 1 13 13 LYS HE3 H 1 2.945 . . 2 . . . . 143 K HE# . 26661 1 173 . 1 1 13 13 LYS C C 13 174.661 . . 1 . . . . 143 K C . 26661 1 174 . 1 1 13 13 LYS CA C 13 55.629 . . 1 . . . . 143 K CA . 26661 1 175 . 1 1 13 13 LYS CB C 13 34.191 . . 1 . . . . 143 K CB . 26661 1 176 . 1 1 13 13 LYS N N 15 120.473 . . 1 . . . . 143 K N . 26661 1 177 . 1 1 14 14 VAL H H 1 9.011 . . 1 . . . . 144 V H . 26661 1 178 . 1 1 14 14 VAL HA H 1 5.863 . . 1 . . . . 144 V HA . 26661 1 179 . 1 1 14 14 VAL HB H 1 3.229 . . 1 . . . . 144 V HB . 26661 1 180 . 1 1 14 14 VAL HG11 H 1 1.300 . . 1 . . . . 144 V HG1 . 26661 1 181 . 1 1 14 14 VAL HG12 H 1 1.300 . . 1 . . . . 144 V HG1 . 26661 1 182 . 1 1 14 14 VAL HG13 H 1 1.300 . . 1 . . . . 144 V HG1 . 26661 1 183 . 1 1 14 14 VAL HG21 H 1 0.883 . . 1 . . . . 144 V HG2 . 26661 1 184 . 1 1 14 14 VAL HG22 H 1 0.883 . . 1 . . . . 144 V HG2 . 26661 1 185 . 1 1 14 14 VAL HG23 H 1 0.883 . . 1 . . . . 144 V HG2 . 26661 1 186 . 1 1 14 14 VAL CA C 13 58.498 . . 1 . . . . 144 V CA . 26661 1 187 . 1 1 14 14 VAL N N 15 109.822 . . 1 . . . . 144 V N . 26661 1 188 . 1 1 15 15 LEU HA H 1 4.814 . . 1 . . . . 145 L HA . 26661 1 189 . 1 1 15 15 LEU HB2 H 1 1.781 . . 1 . . . . 145 L HB2 . 26661 1 190 . 1 1 15 15 LEU HB3 H 1 1.609 . . 1 . . . . 145 L HB3 . 26661 1 191 . 1 1 15 15 LEU HG H 1 1.584 . . 1 . . . . 145 L HG . 26661 1 192 . 1 1 15 15 LEU HD11 H 1 0.482 . . 1 . . . . 145 L HD1 . 26661 1 193 . 1 1 15 15 LEU HD12 H 1 0.482 . . 1 . . . . 145 L HD1 . 26661 1 194 . 1 1 15 15 LEU HD13 H 1 0.482 . . 1 . . . . 145 L HD1 . 26661 1 195 . 1 1 15 15 LEU HD21 H 1 0.347 . . 1 . . . . 145 L HD2 . 26661 1 196 . 1 1 15 15 LEU HD22 H 1 0.347 . . 1 . . . . 145 L HD2 . 26661 1 197 . 1 1 15 15 LEU HD23 H 1 0.347 . . 1 . . . . 145 L HD2 . 26661 1 198 . 1 1 15 15 LEU C C 13 179.274 . . 1 . . . . 145 L C . 26661 1 199 . 1 1 15 15 LEU CA C 13 57.686 . . 1 . . . . 145 L CA . 26661 1 200 . 1 1 15 15 LEU CB C 13 41.823 . . 1 . . . . 145 L CB . 26661 1 201 . 1 1 15 15 LEU CD1 C 13 23.733 . . 2 . . . . 145 L CD# . 26661 1 202 . 1 1 15 15 LEU CD2 C 13 23.733 . . 2 . . . . 145 L CD# . 26661 1 203 . 1 1 16 16 ASP H H 1 9.182 . . 1 . . . . 146 D H . 26661 1 204 . 1 1 16 16 ASP HA H 1 5.347 . . 1 . . . . 146 D HA . 26661 1 205 . 1 1 16 16 ASP HB2 H 1 2.820 . . 1 . . . . 146 D HB2 . 26661 1 206 . 1 1 16 16 ASP HB3 H 1 2.615 . . 1 . . . . 146 D HB3 . 26661 1 207 . 1 1 16 16 ASP C C 13 174.332 . . 1 . . . . 146 D C . 26661 1 208 . 1 1 16 16 ASP CA C 13 53.443 . . 1 . . . . 146 D CA . 26661 1 209 . 1 1 16 16 ASP CB C 13 46.083 . . 1 . . . . 146 D CB . 26661 1 210 . 1 1 16 16 ASP N N 15 125.420 . . 1 . . . . 146 D N . 26661 1 211 . 1 1 17 17 ILE H H 1 8.523 . . 1 . . . . 147 I H . 26661 1 212 . 1 1 17 17 ILE HA H 1 4.204 . . 1 . . . . 147 I HA . 26661 1 213 . 1 1 17 17 ILE HB H 1 1.531 . . 1 . . . . 147 I HB . 26661 1 214 . 1 1 17 17 ILE HG12 H 1 1.810 . . 1 . . . . 147 I HG1 . 26661 1 215 . 1 1 17 17 ILE HG13 H 1 1.810 . . 1 . . . . 147 I HG1 . 26661 1 216 . 1 1 17 17 ILE HG21 H 1 0.989 . . 1 . . . . 147 I HG2 . 26661 1 217 . 1 1 17 17 ILE HG22 H 1 0.989 . . 1 . . . . 147 I HG2 . 26661 1 218 . 1 1 17 17 ILE HG23 H 1 0.989 . . 1 . . . . 147 I HG2 . 26661 1 219 . 1 1 17 17 ILE HD11 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 1 220 . 1 1 17 17 ILE HD12 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 1 221 . 1 1 17 17 ILE HD13 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 1 222 . 1 1 17 17 ILE C C 13 175.890 . . 1 . . . . 147 I C . 26661 1 223 . 1 1 17 17 ILE CA C 13 63.070 . . 1 . . . . 147 I CA . 26661 1 224 . 1 1 17 17 ILE CG2 C 13 18.743 . . 1 . . . . 147 I CG2 . 26661 1 225 . 1 1 17 17 ILE N N 15 123.306 . . 1 . . . . 147 I N . 26661 1 226 . 1 1 18 18 GLY H H 1 8.653 . . 1 . . . . 148 G H . 26661 1 227 . 1 1 18 18 GLY HA2 H 1 4.022 . . 1 . . . . 148 G HA2 . 26661 1 228 . 1 1 18 18 GLY HA3 H 1 3.631 . . 1 . . . . 148 G HA3 . 26661 1 229 . 1 1 18 18 GLY C C 13 176.454 . . 1 . . . . 148 G C . 26661 1 230 . 1 1 18 18 GLY CA C 13 46.702 . . 1 . . . . 148 G CA . 26661 1 231 . 1 1 18 18 GLY N N 15 118.898 . . 1 . . . . 148 G N . 26661 1 232 . 1 1 19 19 GLY H H 1 9.704 . . 1 . . . . 149 G H . 26661 1 233 . 1 1 19 19 GLY HA2 H 1 3.944 . . 2 . . . . 149 G HA# . 26661 1 234 . 1 1 19 19 GLY HA3 H 1 3.944 . . 2 . . . . 149 G HA# . 26661 1 235 . 1 1 19 19 GLY C C 13 174.932 . . 1 . . . . 149 G C . 26661 1 236 . 1 1 19 19 GLY CA C 13 46.563 . . 1 . . . . 149 G CA . 26661 1 237 . 1 1 19 19 GLY N N 15 115.898 . . 1 . . . . 149 G N . 26661 1 238 . 1 1 20 20 GLN H H 1 8.460 . . 1 . . . . 150 Q H . 26661 1 239 . 1 1 20 20 GLN HA H 1 3.346 . . 1 . . . . 150 Q HA . 26661 1 240 . 1 1 20 20 GLN HB2 H 1 2.178 . . 2 . . . . 150 Q HB# . 26661 1 241 . 1 1 20 20 GLN HB3 H 1 2.178 . . 2 . . . . 150 Q HB# . 26661 1 242 . 1 1 20 20 GLN HG2 H 1 2.196 . . 2 . . . . 150 Q HG# . 26661 1 243 . 1 1 20 20 GLN HG3 H 1 2.196 . . 2 . . . . 150 Q HG# . 26661 1 244 . 1 1 20 20 GLN C C 13 173.439 . . 1 . . . . 150 Q C . 26661 1 245 . 1 1 20 20 GLN CA C 13 55.820 . . 1 . . . . 150 Q CA . 26661 1 246 . 1 1 20 20 GLN CB C 13 28.265 . . 1 . . . . 150 Q CB . 26661 1 247 . 1 1 20 20 GLN CG C 13 34.670 . . 1 . . . . 150 Q CG . 26661 1 248 . 1 1 20 20 GLN N N 15 113.246 . . 1 . . . . 150 Q N . 26661 1 249 . 1 1 21 21 ASN H H 1 6.599 . . 1 . . . . 151 N H . 26661 1 250 . 1 1 21 21 ASN HA H 1 4.692 . . 1 . . . . 151 N HA . 26661 1 251 . 1 1 21 21 ASN HB2 H 1 3.387 . . 1 . . . . 151 N HB2 . 26661 1 252 . 1 1 21 21 ASN HB3 H 1 2.757 . . 1 . . . . 151 N HB3 . 26661 1 253 . 1 1 21 21 ASN CA C 13 51.298 . . 1 . . . . 151 N CA . 26661 1 254 . 1 1 21 21 ASN CB C 13 39.460 . . 1 . . . . 151 N CB . 26661 1 255 . 1 1 21 21 ASN N N 15 118.498 . . 1 . . . . 151 N N . 26661 1 256 . 1 1 22 22 PRO HA H 1 4.340 . . 1 . . . . 152 P HA . 26661 1 257 . 1 1 22 22 PRO HB2 H 1 2.116 . . 2 . . . . 152 P HB# . 26661 1 258 . 1 1 22 22 PRO HB3 H 1 2.116 . . 2 . . . . 152 P HB# . 26661 1 259 . 1 1 22 22 PRO HG2 H 1 1.944 . . 2 . . . . 152 P HG# . 26661 1 260 . 1 1 22 22 PRO HG3 H 1 1.944 . . 2 . . . . 152 P HG# . 26661 1 261 . 1 1 22 22 PRO HD2 H 1 3.996 . . 2 . . . . 152 P HD# . 26661 1 262 . 1 1 22 22 PRO HD3 H 1 3.996 . . 2 . . . . 152 P HD# . 26661 1 263 . 1 1 22 22 PRO C C 13 176.812 . . 1 . . . . 152 P C . 26661 1 264 . 1 1 22 22 PRO CA C 13 62.909 . . 1 . . . . 152 P CA . 26661 1 265 . 1 1 22 22 PRO CB C 13 32.296 . . 1 . . . . 152 P CB . 26661 1 266 . 1 1 22 22 PRO CG C 13 26.344 . . 1 . . . . 152 P CG . 26661 1 267 . 1 1 22 22 PRO CD C 13 50.191 . . 1 . . . . 152 P CD . 26661 1 268 . 1 1 23 23 ALA H H 1 8.149 . . 1 . . . . 153 A H . 26661 1 269 . 1 1 23 23 ALA HA H 1 4.700 . . 1 . . . . 153 A HA . 26661 1 270 . 1 1 23 23 ALA HB1 H 1 1.498 . . 1 . . . . 153 A HB . 26661 1 271 . 1 1 23 23 ALA HB2 H 1 1.498 . . 1 . . . . 153 A HB . 26661 1 272 . 1 1 23 23 ALA HB3 H 1 1.498 . . 1 . . . . 153 A HB . 26661 1 273 . 1 1 23 23 ALA CA C 13 51.509 . . 1 . . . . 153 A CA . 26661 1 274 . 1 1 23 23 ALA CB C 13 17.896 . . 1 . . . . 153 A CB . 26661 1 275 . 1 1 23 23 ALA N N 15 125.022 . . 1 . . . . 153 A N . 26661 1 276 . 1 1 24 24 PRO HA H 1 4.447 . . 1 . . . . 154 P HA . 26661 1 277 . 1 1 24 24 PRO HB2 H 1 2.402 . . 2 . . . . 154 P HB# . 26661 1 278 . 1 1 24 24 PRO HB3 H 1 2.402 . . 2 . . . . 154 P HB# . 26661 1 279 . 1 1 24 24 PRO HG2 H 1 2.163 . . 2 . . . . 154 P HG# . 26661 1 280 . 1 1 24 24 PRO HG3 H 1 2.163 . . 2 . . . . 154 P HG# . 26661 1 281 . 1 1 24 24 PRO HD2 H 1 3.927 . . 2 . . . . 154 P HD# . 26661 1 282 . 1 1 24 24 PRO HD3 H 1 3.927 . . 2 . . . . 154 P HD# . 26661 1 283 . 1 1 24 24 PRO C C 13 176.893 . . 1 . . . . 154 P C . 26661 1 284 . 1 1 24 24 PRO CA C 13 64.050 . . 1 . . . . 154 P CA . 26661 1 285 . 1 1 24 24 PRO CB C 13 32.135 . . 1 . . . . 154 P CB . 26661 1 286 . 1 1 24 24 PRO CG C 13 27.794 . . 1 . . . . 154 P CG . 26661 1 287 . 1 1 24 24 PRO CD C 13 50.916 . . 1 . . . . 154 P CD . 26661 1 288 . 1 1 25 25 GLY H H 1 9.523 . . 1 . . . . 155 G H . 26661 1 289 . 1 1 25 25 GLY HA2 H 1 4.205 . . 1 . . . . 155 G HA2 . 26661 1 290 . 1 1 25 25 GLY HA3 H 1 3.887 . . 1 . . . . 155 G HA3 . 26661 1 291 . 1 1 25 25 GLY C C 13 174.493 . . 1 . . . . 155 G C . 26661 1 292 . 1 1 25 25 GLY CA C 13 45.729 . . 1 . . . . 155 G CA . 26661 1 293 . 1 1 25 25 GLY N N 15 112.904 . . 1 . . . . 155 G N . 26661 1 294 . 1 1 26 26 SER H H 1 7.301 . . 1 . . . . 156 S H . 26661 1 295 . 1 1 26 26 SER HA H 1 4.579 . . 1 . . . . 156 S HA . 26661 1 296 . 1 1 26 26 SER HB2 H 1 3.958 . . 2 . . . . 156 S HB# . 26661 1 297 . 1 1 26 26 SER HB3 H 1 3.958 . . 2 . . . . 156 S HB# . 26661 1 298 . 1 1 26 26 SER C C 13 173.373 . . 1 . . . . 156 S C . 26661 1 299 . 1 1 26 26 SER CA C 13 59.485 . . 1 . . . . 156 S CA . 26661 1 300 . 1 1 26 26 SER CB C 13 63.319 . . 1 . . . . 156 S CB . 26661 1 301 . 1 1 26 26 SER N N 15 117.404 . . 1 . . . . 156 S N . 26661 1 302 . 1 1 27 27 LYS H H 1 8.764 . . 1 . . . . 157 K H . 26661 1 303 . 1 1 27 27 LYS HA H 1 4.563 . . 1 . . . . 157 K HA . 26661 1 304 . 1 1 27 27 LYS HB2 H 1 2.057 . . 2 . . . . 157 K HB# . 26661 1 305 . 1 1 27 27 LYS HB3 H 1 2.057 . . 2 . . . . 157 K HB# . 26661 1 306 . 1 1 27 27 LYS HG2 H 1 1.794 . . 2 . . . . 157 K HG# . 26661 1 307 . 1 1 27 27 LYS HG3 H 1 1.794 . . 2 . . . . 157 K HG# . 26661 1 308 . 1 1 27 27 LYS HD2 H 1 1.830 . . 2 . . . . 157 K HD# . 26661 1 309 . 1 1 27 27 LYS HD3 H 1 1.830 . . 2 . . . . 157 K HD# . 26661 1 310 . 1 1 27 27 LYS HE2 H 1 3.173 . . 2 . . . . 157 K HE# . 26661 1 311 . 1 1 27 27 LYS HE3 H 1 3.173 . . 2 . . . . 157 K HE# . 26661 1 312 . 1 1 27 27 LYS C C 13 176.329 . . 1 . . . . 157 K C . 26661 1 313 . 1 1 27 27 LYS CA C 13 57.099 . . 1 . . . . 157 K CA . 26661 1 314 . 1 1 27 27 LYS CB C 13 33.159 . . 1 . . . . 157 K CB . 26661 1 315 . 1 1 27 27 LYS CG C 13 25.524 . . 1 . . . . 157 K CG . 26661 1 316 . 1 1 27 27 LYS CD C 13 29.078 . . 1 . . . . 157 K CD . 26661 1 317 . 1 1 27 27 LYS CE C 13 42.438 . . 1 . . . . 157 K CE . 26661 1 318 . 1 1 27 27 LYS N N 15 124.134 . . 1 . . . . 157 K N . 26661 1 319 . 1 1 28 28 ILE H H 1 7.437 . . 1 . . . . 158 I H . 26661 1 320 . 1 1 28 28 ILE HA H 1 5.005 . . 1 . . . . 158 I HA . 26661 1 321 . 1 1 28 28 ILE HB H 1 1.589 . . 1 . . . . 158 I HB . 26661 1 322 . 1 1 28 28 ILE HG12 H 1 2.031 . . 1 . . . . 158 I HG1# . 26661 1 323 . 1 1 28 28 ILE HG13 H 1 2.031 . . 1 . . . . 158 I HG1# . 26661 1 324 . 1 1 28 28 ILE HG21 H 1 1.022 . . 1 . . . . 158 I HG2 . 26661 1 325 . 1 1 28 28 ILE HG22 H 1 1.022 . . 1 . . . . 158 I HG2 . 26661 1 326 . 1 1 28 28 ILE HG23 H 1 1.022 . . 1 . . . . 158 I HG2 . 26661 1 327 . 1 1 28 28 ILE HD11 H 1 0.918 . . 1 . . . . 158 I HD1 . 26661 1 328 . 1 1 28 28 ILE HD12 H 1 0.918 . . 1 . . . . 158 I HD1 . 26661 1 329 . 1 1 28 28 ILE HD13 H 1 0.918 . . 1 . . . . 158 I HD1 . 26661 1 330 . 1 1 28 28 ILE C C 13 174.475 . . 1 . . . . 158 I C . 26661 1 331 . 1 1 28 28 ILE CA C 13 60.773 . . 1 . . . . 158 I CA . 26661 1 332 . 1 1 28 28 ILE CB C 13 38.471 . . 1 . . . . 158 I CB . 26661 1 333 . 1 1 28 28 ILE N N 15 121.902 . . 1 . . . . 158 I N . 26661 1 334 . 1 1 29 29 ILE H H 1 9.733 . . 1 . . . . 159 I H . 26661 1 335 . 1 1 29 29 ILE HA H 1 5.457 . . 1 . . . . 159 I HA . 26661 1 336 . 1 1 29 29 ILE HB H 1 2.446 . . 1 . . . . 159 I HB . 26661 1 337 . 1 1 29 29 ILE HG12 H 1 1.337 . . 1 . . . . 159 I HG1 . 26661 1 338 . 1 1 29 29 ILE HG13 H 1 1.337 . . 1 . . . . 159 I HG1 . 26661 1 339 . 1 1 29 29 ILE HG21 H 1 0.995 . . 1 . . . . 159 I HG2 . 26661 1 340 . 1 1 29 29 ILE HG22 H 1 0.995 . . 1 . . . . 159 I HG2 . 26661 1 341 . 1 1 29 29 ILE HG23 H 1 0.995 . . 1 . . . . 159 I HG2 . 26661 1 342 . 1 1 29 29 ILE HD11 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 1 343 . 1 1 29 29 ILE HD12 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 1 344 . 1 1 29 29 ILE HD13 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 1 345 . 1 1 29 29 ILE C C 13 176.915 . . 1 . . . . 159 I C . 26661 1 346 . 1 1 29 29 ILE CA C 13 59.710 . . 1 . . . . 159 I CA . 26661 1 347 . 1 1 29 29 ILE CB C 13 42.627 . . 1 . . . . 159 I CB . 26661 1 348 . 1 1 29 29 ILE N N 15 122.987 . . 1 . . . . 159 I N . 26661 1 349 . 1 1 30 30 THR H H 1 7.991 . . 1 . . . . 160 T H . 26661 1 350 . 1 1 30 30 THR HA H 1 5.676 . . 1 . . . . 160 T HA . 26661 1 351 . 1 1 30 30 THR HB H 1 4.229 . . 1 . . . . 160 T HB . 26661 1 352 . 1 1 30 30 THR HG21 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 1 353 . 1 1 30 30 THR HG22 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 1 354 . 1 1 30 30 THR HG23 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 1 355 . 1 1 30 30 THR C C 13 174.654 . . 1 . . . . 160 T C . 26661 1 356 . 1 1 30 30 THR CA C 13 59.208 . . 1 . . . . 160 T CA . 26661 1 357 . 1 1 30 30 THR CB C 13 70.080 . . 1 . . . . 160 T CB . 26661 1 358 . 1 1 30 30 THR CG2 C 13 22.442 . . 1 . . . . 160 T CG2 . 26661 1 359 . 1 1 30 30 THR N N 15 105.402 . . 1 . . . . 160 T N . 26661 1 360 . 1 1 31 31 TRP H H 1 9.592 . . 1 . . . . 161 W H . 26661 1 361 . 1 1 31 31 TRP HA H 1 4.935 . . 1 . . . . 161 W HA . 26661 1 362 . 1 1 31 31 TRP HB2 H 1 2.064 . . 2 . . . . 161 W HB# . 26661 1 363 . 1 1 31 31 TRP HB3 H 1 2.064 . . 2 . . . . 161 W HB# . 26661 1 364 . 1 1 31 31 TRP HD1 H 1 7.645 . . 1 . . . . 161 W HD1 . 26661 1 365 . 1 1 31 31 TRP HE1 H 1 10.658 . . 1 . . . . 161 W HE1 . 26661 1 366 . 1 1 31 31 TRP HZ2 H 1 7.664 . . 1 . . . . 161 W HZ2 . 26661 1 367 . 1 1 31 31 TRP HZ3 H 1 7.112 . . 1 . . . . 161 W HZ3 . 26661 1 368 . 1 1 31 31 TRP HH2 H 1 7.389 . . 1 . . . . 161 W HH2 . 26661 1 369 . 1 1 31 31 TRP C C 13 174.112 . . 1 . . . . 161 W C . 26661 1 370 . 1 1 31 31 TRP CA C 13 59.293 . . 1 . . . . 161 W CA . 26661 1 371 . 1 1 31 31 TRP CB C 13 35.178 . . 1 . . . . 161 W CB . 26661 1 372 . 1 1 31 31 TRP CD1 C 13 129.963 . . 1 . . . . 161 W CD1 . 26661 1 373 . 1 1 31 31 TRP CZ2 C 13 114.085 . . 1 . . . . 161 W CZ2 . 26661 1 374 . 1 1 31 31 TRP CZ3 C 13 121.358 . . 1 . . . . 161 W CZ3 . 26661 1 375 . 1 1 31 31 TRP CH2 C 13 125.020 . . 1 . . . . 161 W CH2 . 26661 1 376 . 1 1 31 31 TRP N N 15 126.376 . . 1 . . . . 161 W N . 26661 1 377 . 1 1 31 31 TRP NE1 N 15 129.936 . . 1 . . . . 161 W NE1 . 26661 1 378 . 1 1 32 32 ASP H H 1 6.876 . . 1 . . . . 162 D H . 26661 1 379 . 1 1 32 32 ASP HA H 1 4.448 . . 1 . . . . 162 D HA . 26661 1 380 . 1 1 32 32 ASP HB2 H 1 2.571 . . 1 . . . . 162 D HB2 . 26661 1 381 . 1 1 32 32 ASP HB3 H 1 2.084 . . 1 . . . . 162 D HB3 . 26661 1 382 . 1 1 32 32 ASP CA C 13 55.582 . . 1 . . . . 162 D CA . 26661 1 383 . 1 1 32 32 ASP CB C 13 40.916 . . 1 . . . . 162 D CB . 26661 1 384 . 1 1 32 32 ASP N N 15 121.540 . . 1 . . . . 162 D N . 26661 1 385 . 1 1 33 33 GLN C C 13 176.102 . . 1 . . . . 163 Q C . 26661 1 386 . 1 1 33 33 GLN CA C 13 57.539 . . 1 . . . . 163 Q CA . 26661 1 387 . 1 1 33 33 GLN CB C 13 29.326 . . 1 . . . . 163 Q CB . 26661 1 388 . 1 1 33 33 GLN CG C 13 33.110 . . 1 . . . . 163 Q CG . 26661 1 389 . 1 1 34 34 LYS H H 1 10.756 . . 1 . . . . 164 K H . 26661 1 390 . 1 1 34 34 LYS HA H 1 4.765 . . 1 . . . . 164 K HA . 26661 1 391 . 1 1 34 34 LYS HB2 H 1 1.742 . . 2 . . . . 164 K HB# . 26661 1 392 . 1 1 34 34 LYS HB3 H 1 1.742 . . 2 . . . . 164 K HB# . 26661 1 393 . 1 1 34 34 LYS HG2 H 1 1.516 . . 2 . . . . 164 K HG# . 26661 1 394 . 1 1 34 34 LYS HG3 H 1 1.516 . . 2 . . . . 164 K HG# . 26661 1 395 . 1 1 34 34 LYS HD2 H 1 1.650 . . 2 . . . . 164 K HD# . 26661 1 396 . 1 1 34 34 LYS HD3 H 1 1.650 . . 2 . . . . 164 K HD# . 26661 1 397 . 1 1 34 34 LYS HE2 H 1 2.901 . . 2 . . . . 164 K HE# . 26661 1 398 . 1 1 34 34 LYS HE3 H 1 2.901 . . 2 . . . . 164 K HE# . 26661 1 399 . 1 1 34 34 LYS C C 13 175.429 . . 1 . . . . 164 K C . 26661 1 400 . 1 1 34 34 LYS CA C 13 55.674 . . 1 . . . . 164 K CA . 26661 1 401 . 1 1 34 34 LYS CB C 13 34.674 . . 1 . . . . 164 K CB . 26661 1 402 . 1 1 34 34 LYS CE C 13 41.234 . . 1 . . . . 164 K CE . 26661 1 403 . 1 1 34 34 LYS N N 15 132.343 . . 1 . . . . 164 K N . 26661 1 404 . 1 1 35 35 LYS H H 1 8.867 . . 1 . . . . 165 K H . 26661 1 405 . 1 1 35 35 LYS HA H 1 4.627 . . 1 . . . . 165 K HA . 26661 1 406 . 1 1 35 35 LYS HB2 H 1 1.983 . . 1 . . . . 165 K HB2 . 26661 1 407 . 1 1 35 35 LYS HB3 H 1 1.871 . . 1 . . . . 165 K HB3 . 26661 1 408 . 1 1 35 35 LYS HG2 H 1 1.512 . . 2 . . . . 165 K HG# . 26661 1 409 . 1 1 35 35 LYS HG3 H 1 1.512 . . 2 . . . . 165 K HG# . 26661 1 410 . 1 1 35 35 LYS HD2 H 1 1.829 . . 2 . . . . 165 K HD# . 26661 1 411 . 1 1 35 35 LYS HD3 H 1 1.829 . . 2 . . . . 165 K HD# . 26661 1 412 . 1 1 35 35 LYS HE2 H 1 2.959 . . 2 . . . . 165 K HE# . 26661 1 413 . 1 1 35 35 LYS HE3 H 1 2.959 . . 2 . . . . 165 K HE# . 26661 1 414 . 1 1 35 35 LYS C C 13 175.909 . . 1 . . . . 165 K C . 26661 1 415 . 1 1 35 35 LYS CA C 13 55.483 . . 1 . . . . 165 K CA . 26661 1 416 . 1 1 35 35 LYS CB C 13 36.042 . . 1 . . . . 165 K CB . 26661 1 417 . 1 1 35 35 LYS CD C 13 27.178 . . 1 . . . . 165 K CD . 26661 1 418 . 1 1 35 35 LYS CE C 13 42.177 . . 1 . . . . 165 K CE . 26661 1 419 . 1 1 35 35 LYS N N 15 120.670 . . 1 . . . . 165 K N . 26661 1 420 . 1 1 36 36 GLY H H 1 9.093 . . 1 . . . . 166 G H . 26661 1 421 . 1 1 36 36 GLY HA2 H 1 4.657 . . 1 . . . . 166 G HA2 . 26661 1 422 . 1 1 36 36 GLY HA3 H 1 3.902 . . 1 . . . . 166 G HA3 . 26661 1 423 . 1 1 36 36 GLY CA C 13 44.580 . . 1 . . . . 166 G CA . 26661 1 424 . 1 1 36 36 GLY N N 15 110.900 . . 1 . . . . 166 G N . 26661 1 425 . 1 1 37 37 PRO HA H 1 4.286 . . 1 . . . . 167 P HA . 26661 1 426 . 1 1 37 37 PRO HB2 H 1 2.486 . . 1 . . . . 167 P HB2 . 26661 1 427 . 1 1 37 37 PRO HB3 H 1 2.043 . . 1 . . . . 167 P HB3 . 26661 1 428 . 1 1 37 37 PRO HG2 H 1 2.164 . . 2 . . . . 167 P HG# . 26661 1 429 . 1 1 37 37 PRO HG3 H 1 2.164 . . 2 . . . . 167 P HG# . 26661 1 430 . 1 1 37 37 PRO HD2 H 1 3.990 . . 1 . . . . 167 P HD2 . 26661 1 431 . 1 1 37 37 PRO HD3 H 1 3.770 . . 1 . . . . 167 P HD3 . 26661 1 432 . 1 1 37 37 PRO C C 13 179.143 . . 1 . . . . 167 P C . 26661 1 433 . 1 1 37 37 PRO CA C 13 65.594 . . 1 . . . . 167 P CA . 26661 1 434 . 1 1 37 37 PRO CB C 13 32.391 . . 1 . . . . 167 P CB . 26661 1 435 . 1 1 37 37 PRO CG C 13 27.642 . . 1 . . . . 167 P CG . 26661 1 436 . 1 1 37 37 PRO CD C 13 49.966 . . 1 . . . . 167 P CD . 26661 1 437 . 1 1 38 38 THR H H 1 8.425 . . 1 . . . . 168 T H . 26661 1 438 . 1 1 38 38 THR HA H 1 4.352 . . 1 . . . . 168 T HA . 26661 1 439 . 1 1 38 38 THR HB H 1 4.680 . . 1 . . . . 168 T HB . 26661 1 440 . 1 1 38 38 THR HG21 H 1 1.358 . . 1 . . . . 168 T HG2 . 26661 1 441 . 1 1 38 38 THR HG22 H 1 1.358 . . 1 . . . . 168 T HG2 . 26661 1 442 . 1 1 38 38 THR HG23 H 1 1.358 . . 1 . . . . 168 T HG2 . 26661 1 443 . 1 1 38 38 THR C C 13 174.694 . . 1 . . . . 168 T C . 26661 1 444 . 1 1 38 38 THR CA C 13 62.976 . . 1 . . . . 168 T CA . 26661 1 445 . 1 1 38 38 THR CB C 13 68.800 . . 1 . . . . 168 T CB . 26661 1 446 . 1 1 38 38 THR CG2 C 13 21.709 . . 1 . . . . 168 T CG2 . 26661 1 447 . 1 1 38 38 THR N N 15 106.799 . . 1 . . . . 168 T N . 26661 1 448 . 1 1 39 39 ALA H H 1 8.092 . . 1 . . . . 169 A H . 26661 1 449 . 1 1 39 39 ALA HA H 1 4.152 . . 1 . . . . 169 A HA . 26661 1 450 . 1 1 39 39 ALA HB1 H 1 1.525 . . 1 . . . . 169 A HB . 26661 1 451 . 1 1 39 39 ALA HB2 H 1 1.525 . . 1 . . . . 169 A HB . 26661 1 452 . 1 1 39 39 ALA HB3 H 1 1.525 . . 1 . . . . 169 A HB . 26661 1 453 . 1 1 39 39 ALA C C 13 176.530 . . 1 . . . . 169 A C . 26661 1 454 . 1 1 39 39 ALA CA C 13 52.798 . . 1 . . . . 169 A CA . 26661 1 455 . 1 1 39 39 ALA CB C 13 19.097 . . 1 . . . . 169 A CB . 26661 1 456 . 1 1 39 39 ALA N N 15 121.487 . . 1 . . . . 169 A N . 26661 1 457 . 1 1 40 40 VAL H H 1 6.792 . . 1 . . . . 170 V H . 26661 1 458 . 1 1 40 40 VAL HA H 1 3.501 . . 1 . . . . 170 V HA . 26661 1 459 . 1 1 40 40 VAL HB H 1 2.117 . . 1 . . . . 170 V HB . 26661 1 460 . 1 1 40 40 VAL HG11 H 1 0.841 . . 2 . . . . 170 V HG# . 26661 1 461 . 1 1 40 40 VAL HG12 H 1 0.841 . . 2 . . . . 170 V HG# . 26661 1 462 . 1 1 40 40 VAL HG13 H 1 0.841 . . 2 . . . . 170 V HG# . 26661 1 463 . 1 1 40 40 VAL HG21 H 1 0.841 . . 2 . . . . 170 V HG# . 26661 1 464 . 1 1 40 40 VAL HG22 H 1 0.841 . . 2 . . . . 170 V HG# . 26661 1 465 . 1 1 40 40 VAL HG23 H 1 0.841 . . 2 . . . . 170 V HG# . 26661 1 466 . 1 1 40 40 VAL C C 13 173.377 . . 1 . . . . 170 V C . 26661 1 467 . 1 1 40 40 VAL CA C 13 65.807 . . 1 . . . . 170 V CA . 26661 1 468 . 1 1 40 40 VAL CB C 13 31.199 . . 1 . . . . 170 V CB . 26661 1 469 . 1 1 40 40 VAL CG1 C 13 21.165 . . 1 . . . . 170 V CG1 . 26661 1 470 . 1 1 40 40 VAL CG2 C 13 19.830 . . 1 . . . . 170 V CG2 . 26661 1 471 . 1 1 40 40 VAL N N 15 116.702 . . 1 . . . . 170 V N . 26661 1 472 . 1 1 41 41 ASN H H 1 7.769 . . 1 . . . . 171 N H . 26661 1 473 . 1 1 41 41 ASN HA H 1 4.394 . . 1 . . . . 171 N HA . 26661 1 474 . 1 1 41 41 ASN HB2 H 1 3.018 . . 1 . . . . 171 N HB2 . 26661 1 475 . 1 1 41 41 ASN HB3 H 1 2.142 . . 1 . . . . 171 N HB3 . 26661 1 476 . 1 1 41 41 ASN C C 13 172.755 . . 1 . . . . 171 N C . 26661 1 477 . 1 1 41 41 ASN CA C 13 54.100 . . 1 . . . . 171 N CA . 26661 1 478 . 1 1 41 41 ASN CB C 13 37.857 . . 1 . . . . 171 N CB . 26661 1 479 . 1 1 41 41 ASN N N 15 112.884 . . 1 . . . . 171 N N . 26661 1 480 . 1 1 42 42 GLN H H 1 8.510 . . 1 . . . . 172 Q H . 26661 1 481 . 1 1 42 42 GLN HA H 1 5.182 . . 1 . . . . 172 Q HA . 26661 1 482 . 1 1 42 42 GLN HB2 H 1 2.476 . . 1 . . . . 172 Q HB2 . 26661 1 483 . 1 1 42 42 GLN HB3 H 1 2.159 . . 1 . . . . 172 Q HB3 . 26661 1 484 . 1 1 42 42 GLN HG2 H 1 2.817 . . 2 . . . . 172 Q HG# . 26661 1 485 . 1 1 42 42 GLN HG3 H 1 2.817 . . 2 . . . . 172 Q HG# . 26661 1 486 . 1 1 42 42 GLN C C 13 174.204 . . 1 . . . . 172 Q C . 26661 1 487 . 1 1 42 42 GLN CA C 13 53.493 . . 1 . . . . 172 Q CA . 26661 1 488 . 1 1 42 42 GLN CB C 13 30.650 . . 1 . . . . 172 Q CB . 26661 1 489 . 1 1 42 42 GLN CG C 13 33.647 . . 1 . . . . 172 Q CG . 26661 1 490 . 1 1 42 42 GLN N N 15 117.002 . . 1 . . . . 172 Q N . 26661 1 491 . 1 1 43 43 LEU H H 1 6.642 . . 1 . . . . 173 L H . 26661 1 492 . 1 1 43 43 LEU HA H 1 4.919 . . 1 . . . . 173 L HA . 26661 1 493 . 1 1 43 43 LEU HB2 H 1 1.339 . . 1 . . . . 173 L HB2 . 26661 1 494 . 1 1 43 43 LEU HB3 H 1 0.776 . . 1 . . . . 173 L HB3 . 26661 1 495 . 1 1 43 43 LEU HG H 1 1.297 . . 1 . . . . 173 L HG . 26661 1 496 . 1 1 43 43 LEU HD11 H 1 0.470 . . 1 . . . . 173 L HD1 . 26661 1 497 . 1 1 43 43 LEU HD12 H 1 0.470 . . 1 . . . . 173 L HD1 . 26661 1 498 . 1 1 43 43 LEU HD13 H 1 0.470 . . 1 . . . . 173 L HD1 . 26661 1 499 . 1 1 43 43 LEU HD21 H 1 -0.027 . . 1 . . . . 173 L HD2 . 26661 1 500 . 1 1 43 43 LEU HD22 H 1 -0.027 . . 1 . . . . 173 L HD2 . 26661 1 501 . 1 1 43 43 LEU HD23 H 1 -0.027 . . 1 . . . . 173 L HD2 . 26661 1 502 . 1 1 43 43 LEU C C 13 176.384 . . 1 . . . . 173 L C . 26661 1 503 . 1 1 43 43 LEU CA C 13 52.695 . . 1 . . . . 173 L CA . 26661 1 504 . 1 1 43 43 LEU CB C 13 45.847 . . 1 . . . . 173 L CB . 26661 1 505 . 1 1 43 43 LEU CG C 13 26.423 . . 1 . . . . 173 L CG . 26661 1 506 . 1 1 43 43 LEU CD1 C 13 21.709 . . 2 . . . . 173 L CD# . 26661 1 507 . 1 1 43 43 LEU CD2 C 13 21.709 . . 2 . . . . 173 L CD# . 26661 1 508 . 1 1 43 43 LEU N N 15 118.479 . . 1 . . . . 173 L N . 26661 1 509 . 1 1 44 44 TRP H H 1 9.038 . . 1 . . . . 174 W H . 26661 1 510 . 1 1 44 44 TRP HA H 1 5.411 . . 1 . . . . 174 W HA . 26661 1 511 . 1 1 44 44 TRP HB2 H 1 3.093 . . 1 . . . . 174 W HB2 . 26661 1 512 . 1 1 44 44 TRP HB3 H 1 2.092 . . 1 . . . . 174 W HB3 . 26661 1 513 . 1 1 44 44 TRP HD1 H 1 7.608 . . 1 . . . . 174 W HD1 . 26661 1 514 . 1 1 44 44 TRP HE1 H 1 9.117 . . 1 . . . . 174 W HE1 . 26661 1 515 . 1 1 44 44 TRP HZ2 H 1 6.937 . . 1 . . . . 174 W HZ2 . 26661 1 516 . 1 1 44 44 TRP HZ3 H 1 7.241 . . 1 . . . . 174 W HZ3 . 26661 1 517 . 1 1 44 44 TRP HH2 H 1 6.736 . . 1 . . . . 174 W HH2 . 26661 1 518 . 1 1 44 44 TRP C C 13 172.638 . . 1 . . . . 174 W C . 26661 1 519 . 1 1 44 44 TRP CA C 13 55.410 . . 1 . . . . 174 W CA . 26661 1 520 . 1 1 44 44 TRP CB C 13 32.992 . . 1 . . . . 174 W CB . 26661 1 521 . 1 1 44 44 TRP CD1 C 13 129.936 . . 1 . . . . 174 W CD1 . 26661 1 522 . 1 1 44 44 TRP CZ2 C 13 111.483 . . 1 . . . . 174 W CZ2 . 26661 1 523 . 1 1 44 44 TRP CZ3 C 13 121.336 . . 1 . . . . 174 W CZ3 . 26661 1 524 . 1 1 44 44 TRP CH2 C 13 122.882 . . 1 . . . . 174 W CH2 . 26661 1 525 . 1 1 44 44 TRP N N 15 125.303 . . 1 . . . . 174 W N . 26661 1 526 . 1 1 44 44 TRP NE1 N 15 126.628 . . 1 . . . . 174 W NE1 . 26661 1 527 . 1 1 45 45 TYR H H 1 9.414 . . 1 . . . . 175 Y H . 26661 1 528 . 1 1 45 45 TYR HA H 1 5.224 . . 1 . . . . 175 Y HA . 26661 1 529 . 1 1 45 45 TYR HB2 H 1 3.084 . . 2 . . . . 175 Y HB# . 26661 1 530 . 1 1 45 45 TYR HB3 H 1 3.084 . . 2 . . . . 175 Y HB# . 26661 1 531 . 1 1 45 45 TYR HD1 H 1 6.885 . . 3 . . . . 175 Y HD# . 26661 1 532 . 1 1 45 45 TYR HD2 H 1 6.885 . . 3 . . . . 175 Y HD# . 26661 1 533 . 1 1 45 45 TYR HE1 H 1 6.765 . . 3 . . . . 175 Y HE# . 26661 1 534 . 1 1 45 45 TYR HE2 H 1 6.765 . . 3 . . . . 175 Y HE# . 26661 1 535 . 1 1 45 45 TYR C C 13 173.392 . . 1 . . . . 175 Y C . 26661 1 536 . 1 1 45 45 TYR CA C 13 56.105 . . 1 . . . . 175 Y CA . 26661 1 537 . 1 1 45 45 TYR CB C 13 41.472 . . 1 . . . . 175 Y CB . 26661 1 538 . 1 1 45 45 TYR CD1 C 13 133.676 . . 3 . . . . 175 Y CD# . 26661 1 539 . 1 1 45 45 TYR CD2 C 13 133.676 . . 3 . . . . 175 Y CD# . 26661 1 540 . 1 1 45 45 TYR CE1 C 13 117.971 . . 3 . . . . 175 Y CE# . 26661 1 541 . 1 1 45 45 TYR CE2 C 13 117.971 . . 3 . . . . 175 Y CE# . 26661 1 542 . 1 1 45 45 TYR N N 15 115.904 . . 1 . . . . 175 Y N . 26661 1 543 . 1 1 46 46 THR H H 1 8.919 . . 1 . . . . 176 T H . 26661 1 544 . 1 1 46 46 THR HA H 1 5.253 . . 1 . . . . 176 T HA . 26661 1 545 . 1 1 46 46 THR HB H 1 4.094 . . 1 . . . . 176 T HB . 26661 1 546 . 1 1 46 46 THR HG21 H 1 1.370 . . 1 . . . . 176 T HG2 . 26661 1 547 . 1 1 46 46 THR HG22 H 1 1.370 . . 1 . . . . 176 T HG2 . 26661 1 548 . 1 1 46 46 THR HG23 H 1 1.370 . . 1 . . . . 176 T HG2 . 26661 1 549 . 1 1 46 46 THR C C 13 175.426 . . 1 . . . . 176 T C . 26661 1 550 . 1 1 46 46 THR CA C 13 58.952 . . 1 . . . . 176 T CA . 26661 1 551 . 1 1 46 46 THR CB C 13 70.951 . . 1 . . . . 176 T CB . 26661 1 552 . 1 1 46 46 THR CG2 C 13 22.536 . . 1 . . . . 176 T CG2 . 26661 1 553 . 1 1 46 46 THR N N 15 108.133 . . 1 . . . . 176 T N . 26661 1 554 . 1 1 47 47 ASP H H 1 8.936 . . 1 . . . . 177 D H . 26661 1 555 . 1 1 47 47 ASP HA H 1 4.777 . . 1 . . . . 177 D HA . 26661 1 556 . 1 1 47 47 ASP HB2 H 1 2.521 . . 2 . . . . 177 D HB# . 26661 1 557 . 1 1 47 47 ASP HB3 H 1 2.521 . . 2 . . . . 177 D HB# . 26661 1 558 . 1 1 47 47 ASP CA C 13 52.630 . . 1 . . . . 177 D CA . 26661 1 559 . 1 1 47 47 ASP N N 15 124.701 . . 1 . . . . 177 D N . 26661 1 560 . 1 1 48 48 GLN H H 1 8.686 . . 1 . . . . 178 Q H . 26661 1 561 . 1 1 48 48 GLN HA H 1 4.223 . . 1 . . . . 178 Q HA . 26661 1 562 . 1 1 48 48 GLN HB2 H 1 2.246 . . 2 . . . . 178 Q HB# . 26661 1 563 . 1 1 48 48 GLN HB3 H 1 2.246 . . 2 . . . . 178 Q HB# . 26661 1 564 . 1 1 48 48 GLN HG2 H 1 2.584 . . 2 . . . . 178 Q HG# . 26661 1 565 . 1 1 48 48 GLN HG3 H 1 2.584 . . 2 . . . . 178 Q HG# . 26661 1 566 . 1 1 48 48 GLN C C 13 177.365 . . 1 . . . . 178 Q C . 26661 1 567 . 1 1 48 48 GLN CA C 13 59.127 . . 1 . . . . 178 Q CA . 26661 1 568 . 1 1 48 48 GLN CB C 13 28.543 . . 1 . . . . 178 Q CB . 26661 1 569 . 1 1 48 48 GLN CG C 13 34.285 . . 1 . . . . 178 Q CG . 26661 1 570 . 1 1 48 48 GLN N N 15 116.815 . . 1 . . . . 178 Q N . 26661 1 571 . 1 1 49 49 GLN H H 1 8.567 . . 1 . . . . 179 Q H . 26661 1 572 . 1 1 49 49 GLN HA H 1 4.519 . . 1 . . . . 179 Q HA . 26661 1 573 . 1 1 49 49 GLN HB2 H 1 2.284 . . 2 . . . . 179 Q HB# . 26661 1 574 . 1 1 49 49 GLN HB3 H 1 2.284 . . 2 . . . . 179 Q HB# . 26661 1 575 . 1 1 49 49 GLN HG2 H 1 2.563 . . 1 . . . . 179 Q HG2 . 26661 1 576 . 1 1 49 49 GLN HG3 H 1 2.455 . . 1 . . . . 179 Q HG3 . 26661 1 577 . 1 1 49 49 GLN HE21 H 1 7.778 . . 1 . . . . 179 Q HE21 . 26661 1 578 . 1 1 49 49 GLN HE22 H 1 6.952 . . 1 . . . . 179 Q HE22 . 26661 1 579 . 1 1 49 49 GLN C C 13 175.455 . . 1 . . . . 179 Q C . 26661 1 580 . 1 1 49 49 GLN CA C 13 56.017 . . 1 . . . . 179 Q CA . 26661 1 581 . 1 1 49 49 GLN CB C 13 29.618 . . 1 . . . . 179 Q CB . 26661 1 582 . 1 1 49 49 GLN CG C 13 35.301 . . 1 . . . . 179 Q CG . 26661 1 583 . 1 1 49 49 GLN N N 15 118.203 . . 1 . . . . 179 Q N . 26661 1 584 . 1 1 49 49 GLN NE2 N 15 111.795 . . 1 . . . . 179 Q NE2 . 26661 1 585 . 1 1 50 50 GLY H H 1 8.313 . . 1 . . . . 180 G H . 26661 1 586 . 1 1 50 50 GLY HA2 H 1 4.390 . . 1 . . . . 180 G HA2 . 26661 1 587 . 1 1 50 50 GLY HA3 H 1 3.685 . . 1 . . . . 180 G HA3 . 26661 1 588 . 1 1 50 50 GLY C C 13 172.938 . . 1 . . . . 180 G C . 26661 1 589 . 1 1 50 50 GLY CA C 13 45.079 . . 1 . . . . 180 G CA . 26661 1 590 . 1 1 50 50 GLY N N 15 108.102 . . 1 . . . . 180 G N . 26661 1 591 . 1 1 51 51 VAL H H 1 8.201 . . 1 . . . . 181 V H . 26661 1 592 . 1 1 51 51 VAL HA H 1 4.202 . . 1 . . . . 181 V HA . 26661 1 593 . 1 1 51 51 VAL HB H 1 2.496 . . 1 . . . . 181 V HB . 26661 1 594 . 1 1 51 51 VAL HG11 H 1 1.166 . . 1 . . . . 181 V HG1 . 26661 1 595 . 1 1 51 51 VAL HG12 H 1 1.166 . . 1 . . . . 181 V HG1 . 26661 1 596 . 1 1 51 51 VAL HG13 H 1 1.166 . . 1 . . . . 181 V HG1 . 26661 1 597 . 1 1 51 51 VAL HG21 H 1 0.849 . . 1 . . . . 181 V HG2 . 26661 1 598 . 1 1 51 51 VAL HG22 H 1 0.849 . . 1 . . . . 181 V HG2 . 26661 1 599 . 1 1 51 51 VAL HG23 H 1 0.849 . . 1 . . . . 181 V HG2 . 26661 1 600 . 1 1 51 51 VAL C C 13 176.589 . . 1 . . . . 181 V C . 26661 1 601 . 1 1 51 51 VAL CA C 13 63.115 . . 1 . . . . 181 V CA . 26661 1 602 . 1 1 51 51 VAL CB C 13 31.082 . . 1 . . . . 181 V CB . 26661 1 603 . 1 1 51 51 VAL CG1 C 13 22.768 . . 2 . . . . 181 V CG# . 26661 1 604 . 1 1 51 51 VAL CG2 C 13 22.768 . . 2 . . . . 181 V CG# . 26661 1 605 . 1 1 51 51 VAL N N 15 123.198 . . 1 . . . . 181 V N . 26661 1 606 . 1 1 52 52 ILE H H 1 8.901 . . 1 . . . . 182 I H . 26661 1 607 . 1 1 52 52 ILE HA H 1 4.315 . . 1 . . . . 182 I HA . 26661 1 608 . 1 1 52 52 ILE HB H 1 1.471 . . 1 . . . . 182 I HB . 26661 1 609 . 1 1 52 52 ILE HG12 H 1 1.187 . . 1 . . . . 182 I HG1# . 26661 1 610 . 1 1 52 52 ILE HG13 H 1 1.187 . . 1 . . . . 182 I HG1# . 26661 1 611 . 1 1 52 52 ILE HG21 H 1 0.903 . . 1 . . . . 182 I HG2 . 26661 1 612 . 1 1 52 52 ILE HG22 H 1 0.903 . . 1 . . . . 182 I HG2 . 26661 1 613 . 1 1 52 52 ILE HG23 H 1 0.903 . . 1 . . . . 182 I HG2 . 26661 1 614 . 1 1 52 52 ILE HD11 H 1 0.645 . . 1 . . . . 182 I HD1 . 26661 1 615 . 1 1 52 52 ILE HD12 H 1 0.645 . . 1 . . . . 182 I HD1 . 26661 1 616 . 1 1 52 52 ILE HD13 H 1 0.645 . . 1 . . . . 182 I HD1 . 26661 1 617 . 1 1 52 52 ILE C C 13 175.060 . . 1 . . . . 182 I C . 26661 1 618 . 1 1 52 52 ILE CA C 13 63.137 . . 1 . . . . 182 I CA . 26661 1 619 . 1 1 52 52 ILE CB C 13 39.577 . . 1 . . . . 182 I CB . 26661 1 620 . 1 1 52 52 ILE CG2 C 13 19.054 . . 1 . . . . 182 I CG2 . 26661 1 621 . 1 1 52 52 ILE N N 15 128.003 . . 1 . . . . 182 I N . 26661 1 622 . 1 1 53 53 ARG H H 1 9.027 . . 1 . . . . 183 R H . 26661 1 623 . 1 1 53 53 ARG HA H 1 5.303 . . 1 . . . . 183 R HA . 26661 1 624 . 1 1 53 53 ARG HB2 H 1 1.287 . . 1 . . . . 183 R HB2 . 26661 1 625 . 1 1 53 53 ARG HB3 H 1 0.395 . . 1 . . . . 183 R HB3 . 26661 1 626 . 1 1 53 53 ARG HG2 H 1 1.529 . . 1 . . . . 183 R HG2 . 26661 1 627 . 1 1 53 53 ARG HG3 H 1 1.341 . . 1 . . . . 183 R HG3 . 26661 1 628 . 1 1 53 53 ARG HD2 H 1 3.176 . . 1 . . . . 183 R HD2 . 26661 1 629 . 1 1 53 53 ARG HD3 H 1 2.955 . . 1 . . . . 183 R HD3 . 26661 1 630 . 1 1 53 53 ARG HE H 1 7.001 . . 1 . . . . 183 R HE . 26661 1 631 . 1 1 53 53 ARG C C 13 176.369 . . 1 . . . . 183 R C . 26661 1 632 . 1 1 53 53 ARG CA C 13 51.664 . . 1 . . . . 183 R CA . 26661 1 633 . 1 1 53 53 ARG CB C 13 34.616 . . 1 . . . . 183 R CB . 26661 1 634 . 1 1 53 53 ARG N N 15 122.798 . . 1 . . . . 183 R N . 26661 1 635 . 1 1 53 53 ARG NE N 15 84.155 . . 1 . . . . 183 R NE . 26661 1 636 . 1 1 54 54 SER H H 1 9.046 . . 1 . . . . 184 S H . 26661 1 637 . 1 1 54 54 SER HA H 1 4.169 . . 1 . . . . 184 S HA . 26661 1 638 . 1 1 54 54 SER HB2 H 1 3.812 . . 1 . . . . 184 S HB2 . 26661 1 639 . 1 1 54 54 SER HB3 H 1 3.604 . . 1 . . . . 184 S HB3 . 26661 1 640 . 1 1 54 54 SER C C 13 177.452 . . 1 . . . . 184 S C . 26661 1 641 . 1 1 54 54 SER CA C 13 57.444 . . 1 . . . . 184 S CA . 26661 1 642 . 1 1 54 54 SER CB C 13 63.693 . . 1 . . . . 184 S CB . 26661 1 643 . 1 1 54 54 SER N N 15 112.121 . . 1 . . . . 184 S N . 26661 1 644 . 1 1 55 55 LYS H H 1 8.506 . . 1 . . . . 185 K H . 26661 1 645 . 1 1 55 55 LYS HA H 1 4.004 . . 1 . . . . 185 K HA . 26661 1 646 . 1 1 55 55 LYS HB2 H 1 1.598 . . 2 . . . . 185 K HB# . 26661 1 647 . 1 1 55 55 LYS HB3 H 1 1.598 . . 2 . . . . 185 K HB# . 26661 1 648 . 1 1 55 55 LYS HG2 H 1 0.776 . . 2 . . . . 185 K HG# . 26661 1 649 . 1 1 55 55 LYS HG3 H 1 0.776 . . 2 . . . . 185 K HG# . 26661 1 650 . 1 1 55 55 LYS HD2 H 1 1.060 . . 2 . . . . 185 K HD# . 26661 1 651 . 1 1 55 55 LYS HD3 H 1 1.060 . . 2 . . . . 185 K HD# . 26661 1 652 . 1 1 55 55 LYS HE2 H 1 2.086 . . 2 . . . . 185 K HE# . 26661 1 653 . 1 1 55 55 LYS HE3 H 1 2.086 . . 2 . . . . 185 K HE# . 26661 1 654 . 1 1 55 55 LYS C C 13 176.838 . . 1 . . . . 185 K C . 26661 1 655 . 1 1 55 55 LYS CA C 13 59.069 . . 1 . . . . 185 K CA . 26661 1 656 . 1 1 55 55 LYS CB C 13 33.606 . . 1 . . . . 185 K CB . 26661 1 657 . 1 1 55 55 LYS N N 15 128.475 . . 1 . . . . 185 K N . 26661 1 658 . 1 1 56 56 LEU H H 1 8.105 . . 1 . . . . 186 L H . 26661 1 659 . 1 1 56 56 LEU HA H 1 3.649 . . 1 . . . . 186 L HA . 26661 1 660 . 1 1 56 56 LEU HB2 H 1 1.552 . . 1 . . . . 186 L HB2 . 26661 1 661 . 1 1 56 56 LEU HB3 H 1 0.872 . . 1 . . . . 186 L HB3 . 26661 1 662 . 1 1 56 56 LEU HG H 1 1.122 . . 1 . . . . 186 L HG . 26661 1 663 . 1 1 56 56 LEU HD11 H 1 0.780 . . 1 . . . . 186 L HD1 . 26661 1 664 . 1 1 56 56 LEU HD12 H 1 0.780 . . 1 . . . . 186 L HD1 . 26661 1 665 . 1 1 56 56 LEU HD13 H 1 0.780 . . 1 . . . . 186 L HD1 . 26661 1 666 . 1 1 56 56 LEU HD21 H 1 0.463 . . 1 . . . . 186 L HD2 . 26661 1 667 . 1 1 56 56 LEU HD22 H 1 0.463 . . 1 . . . . 186 L HD2 . 26661 1 668 . 1 1 56 56 LEU HD23 H 1 0.463 . . 1 . . . . 186 L HD2 . 26661 1 669 . 1 1 56 56 LEU C C 13 176.933 . . 1 . . . . 186 L C . 26661 1 670 . 1 1 56 56 LEU CA C 13 57.576 . . 1 . . . . 186 L CA . 26661 1 671 . 1 1 56 56 LEU CB C 13 42.664 . . 1 . . . . 186 L CB . 26661 1 672 . 1 1 56 56 LEU N N 15 118.102 . . 1 . . . . 186 L N . 26661 1 673 . 1 1 57 57 ASN H H 1 6.461 . . 1 . . . . 187 N H . 26661 1 674 . 1 1 57 57 ASN HA H 1 4.600 . . 1 . . . . 187 N HA . 26661 1 675 . 1 1 57 57 ASN HB2 H 1 2.353 . . 1 . . . . 187 N HB2 . 26661 1 676 . 1 1 57 57 ASN HB3 H 1 2.186 . . 1 . . . . 187 N HB3 . 26661 1 677 . 1 1 57 57 ASN C C 13 173.999 . . 1 . . . . 187 N C . 26661 1 678 . 1 1 57 57 ASN CA C 13 51.700 . . 1 . . . . 187 N CA . 26661 1 679 . 1 1 57 57 ASN CB C 13 38.077 . . 1 . . . . 187 N CB . 26661 1 680 . 1 1 57 57 ASN N N 15 109.306 . . 1 . . . . 187 N N . 26661 1 681 . 1 1 58 58 ASP H H 1 8.482 . . 1 . . . . 188 D H . 26661 1 682 . 1 1 58 58 ASP HA H 1 4.934 . . 1 . . . . 188 D HA . 26661 1 683 . 1 1 58 58 ASP HB2 H 1 3.166 . . 2 . . . . 188 D HB# . 26661 1 684 . 1 1 58 58 ASP HB3 H 1 3.166 . . 2 . . . . 188 D HB# . 26661 1 685 . 1 1 58 58 ASP C C 13 176.530 . . 1 . . . . 188 D C . 26661 1 686 . 1 1 58 58 ASP CA C 13 57.196 . . 1 . . . . 188 D CA . 26661 1 687 . 1 1 58 58 ASP CB C 13 40.747 . . 1 . . . . 188 D CB . 26661 1 688 . 1 1 58 58 ASP N N 15 112.458 . . 1 . . . . 188 D N . 26661 1 689 . 1 1 59 59 PHE H H 1 8.185 . . 1 . . . . 189 F H . 26661 1 690 . 1 1 59 59 PHE HA H 1 5.038 . . 1 . . . . 189 F HA . 26661 1 691 . 1 1 59 59 PHE HB2 H 1 3.804 . . 1 . . . . 189 F HB2 . 26661 1 692 . 1 1 59 59 PHE HB3 H 1 3.337 . . 1 . . . . 189 F HB3 . 26661 1 693 . 1 1 59 59 PHE HD1 H 1 7.093 . . 3 . . . . 189 F HD# . 26661 1 694 . 1 1 59 59 PHE HD2 H 1 7.093 . . 3 . . . . 189 F HD# . 26661 1 695 . 1 1 59 59 PHE HE1 H 1 7.356 . . 3 . . . . 189 F HE# . 26661 1 696 . 1 1 59 59 PHE HE2 H 1 7.356 . . 3 . . . . 189 F HE# . 26661 1 697 . 1 1 59 59 PHE HZ H 1 7.472 . . 1 . . . . 189 F HZ . 26661 1 698 . 1 1 59 59 PHE C C 13 174.840 . . 1 . . . . 189 F C . 26661 1 699 . 1 1 59 59 PHE CA C 13 55.373 . . 1 . . . . 189 F CA . 26661 1 700 . 1 1 59 59 PHE CB C 13 37.096 . . 1 . . . . 189 F CB . 26661 1 701 . 1 1 59 59 PHE CD1 C 13 129.274 . . 3 . . . . 189 F CD# . 26661 1 702 . 1 1 59 59 PHE CD2 C 13 129.274 . . 3 . . . . 189 F CD# . 26661 1 703 . 1 1 59 59 PHE CE1 C 13 130.780 . . 3 . . . . 189 F CE# . 26661 1 704 . 1 1 59 59 PHE CE2 C 13 130.780 . . 3 . . . . 189 F CE# . 26661 1 705 . 1 1 59 59 PHE CZ C 13 129.022 . . 1 . . . . 189 F CZ . 26661 1 706 . 1 1 59 59 PHE N N 15 120.601 . . 1 . . . . 189 F N . 26661 1 707 . 1 1 60 60 ALA H H 1 8.836 . . 1 . . . . 190 A H . 26661 1 708 . 1 1 60 60 ALA HA H 1 5.267 . . 1 . . . . 190 A HA . 26661 1 709 . 1 1 60 60 ALA HB1 H 1 2.048 . . 1 . . . . 190 A HB . 26661 1 710 . 1 1 60 60 ALA HB2 H 1 2.048 . . 1 . . . . 190 A HB . 26661 1 711 . 1 1 60 60 ALA HB3 H 1 2.048 . . 1 . . . . 190 A HB . 26661 1 712 . 1 1 60 60 ALA C C 13 176.706 . . 1 . . . . 190 A C . 26661 1 713 . 1 1 60 60 ALA CA C 13 50.318 . . 1 . . . . 190 A CA . 26661 1 714 . 1 1 60 60 ALA CB C 13 22.660 . . 1 . . . . 190 A CB . 26661 1 715 . 1 1 60 60 ALA N N 15 120.662 . . 1 . . . . 190 A N . 26661 1 716 . 1 1 61 61 ILE H H 1 8.052 . . 1 . . . . 191 I H . 26661 1 717 . 1 1 61 61 ILE HA H 1 3.770 . . 1 . . . . 191 I HA . 26661 1 718 . 1 1 61 61 ILE HB H 1 1.715 . . 1 . . . . 191 I HB . 26661 1 719 . 1 1 61 61 ILE HG12 H 1 0.430 . . 1 . . . . 191 I HG1# . 26661 1 720 . 1 1 61 61 ILE HG13 H 1 0.430 . . 1 . . . . 191 I HG1# . 26661 1 721 . 1 1 61 61 ILE HG21 H 1 0.063 . . 1 . . . . 191 I HG2 . 26661 1 722 . 1 1 61 61 ILE HG22 H 1 0.063 . . 1 . . . . 191 I HG2 . 26661 1 723 . 1 1 61 61 ILE HG23 H 1 0.063 . . 1 . . . . 191 I HG2 . 26661 1 724 . 1 1 61 61 ILE HD11 H 1 0.005 . . 1 . . . . 191 I HD1 . 26661 1 725 . 1 1 61 61 ILE HD12 H 1 0.005 . . 1 . . . . 191 I HD1 . 26661 1 726 . 1 1 61 61 ILE HD13 H 1 0.005 . . 1 . . . . 191 I HD1 . 26661 1 727 . 1 1 61 61 ILE C C 13 173.421 . . 1 . . . . 191 I C . 26661 1 728 . 1 1 61 61 ILE CA C 13 63.012 . . 1 . . . . 191 I CA . 26661 1 729 . 1 1 61 61 ILE CB C 13 38.369 . . 1 . . . . 191 I CB . 26661 1 730 . 1 1 61 61 ILE CG1 C 13 28.222 . . 1 . . . . 191 I CG1 . 26661 1 731 . 1 1 61 61 ILE CG2 C 13 17.560 . . 1 . . . . 191 I CG2 . 26661 1 732 . 1 1 61 61 ILE CD1 C 13 12.324 . . 1 . . . . 191 I CD1 . 26661 1 733 . 1 1 61 61 ILE N N 15 119.674 . . 1 . . . . 191 I N . 26661 1 734 . 1 1 62 62 ASP H H 1 9.206 . . 1 . . . . 192 D H . 26661 1 735 . 1 1 62 62 ASP HA H 1 5.505 . . 1 . . . . 192 D HA . 26661 1 736 . 1 1 62 62 ASP HB2 H 1 2.995 . . 1 . . . . 192 D HB2 . 26661 1 737 . 1 1 62 62 ASP HB3 H 1 2.140 . . 1 . . . . 192 D HB3 . 26661 1 738 . 1 1 62 62 ASP C C 13 175.521 . . 1 . . . . 192 D C . 26661 1 739 . 1 1 62 62 ASP CA C 13 53.303 . . 1 . . . . 192 D CA . 26661 1 740 . 1 1 62 62 ASP CB C 13 46.059 . . 1 . . . . 192 D CB . 26661 1 741 . 1 1 62 62 ASP N N 15 122.535 . . 1 . . . . 192 D N . 26661 1 742 . 1 1 63 63 ALA H H 1 8.107 . . 1 . . . . 193 A H . 26661 1 743 . 1 1 63 63 ALA HA H 1 5.063 . . 1 . . . . 193 A HA . 26661 1 744 . 1 1 63 63 ALA HB1 H 1 1.585 . . 1 . . . . 193 A HB . 26661 1 745 . 1 1 63 63 ALA HB2 H 1 1.585 . . 1 . . . . 193 A HB . 26661 1 746 . 1 1 63 63 ALA HB3 H 1 1.585 . . 1 . . . . 193 A HB . 26661 1 747 . 1 1 63 63 ALA C C 13 176.735 . . 1 . . . . 193 A C . 26661 1 748 . 1 1 63 63 ALA CA C 13 50.075 . . 1 . . . . 193 A CA . 26661 1 749 . 1 1 63 63 ALA CB C 13 21.774 . . 1 . . . . 193 A CB . 26661 1 750 . 1 1 63 63 ALA N N 15 128.705 . . 1 . . . . 193 A N . 26661 1 751 . 1 1 64 64 SER H H 1 9.214 . . 1 . . . . 194 S H . 26661 1 752 . 1 1 64 64 SER HA H 1 4.196 . . 1 . . . . 194 S HA . 26661 1 753 . 1 1 64 64 SER HB2 H 1 3.766 . . 1 . . . . 194 S HB2 . 26661 1 754 . 1 1 64 64 SER HB3 H 1 3.683 . . 1 . . . . 194 S HB3 . 26661 1 755 . 1 1 64 64 SER C C 13 174.511 . . 1 . . . . 194 S C . 26661 1 756 . 1 1 64 64 SER CA C 13 62.171 . . 1 . . . . 194 S CA . 26661 1 757 . 1 1 64 64 SER CB C 13 62.361 . . 1 . . . . 194 S CB . 26661 1 758 . 1 1 64 64 SER N N 15 117.766 . . 1 . . . . 194 S N . 26661 1 759 . 1 1 65 65 HIS H H 1 9.065 . . 1 . . . . 195 H H . 26661 1 760 . 1 1 65 65 HIS HA H 1 5.059 . . 1 . . . . 195 H HA . 26661 1 761 . 1 1 65 65 HIS HB2 H 1 3.654 . . 1 . . . . 195 H HB2 . 26661 1 762 . 1 1 65 65 HIS HB3 H 1 3.291 . . 1 . . . . 195 H HB3 . 26661 1 763 . 1 1 65 65 HIS HD2 H 1 7.426 . . 1 . . . . 195 H HD2 . 26661 1 764 . 1 1 65 65 HIS HE1 H 1 8.624 . . 1 . . . . 195 H HE1 . 26661 1 765 . 1 1 65 65 HIS C C 13 173.267 . . 1 . . . . 195 H C . 26661 1 766 . 1 1 65 65 HIS CA C 13 53.397 . . 1 . . . . 195 H CA . 26661 1 767 . 1 1 65 65 HIS CB C 13 29.735 . . 1 . . . . 195 H CB . 26661 1 768 . 1 1 65 65 HIS CD2 C 13 119.815 . . 1 . . . . 195 H CD2 . 26661 1 769 . 1 1 65 65 HIS CE1 C 13 136.119 . . 1 . . . . 195 H CE1 . 26661 1 770 . 1 1 65 65 HIS N N 15 120.303 . . 1 . . . . 195 H N . 26661 1 771 . 1 1 66 66 GLU H H 1 8.635 . . 1 . . . . 196 E H . 26661 1 772 . 1 1 66 66 GLU HA H 1 4.158 . . 1 . . . . 196 E HA . 26661 1 773 . 1 1 66 66 GLU HB2 H 1 2.240 . . 2 . . . . 196 E HB# . 26661 1 774 . 1 1 66 66 GLU HB3 H 1 2.240 . . 2 . . . . 196 E HB# . 26661 1 775 . 1 1 66 66 GLU HG2 H 1 2.461 . . 2 . . . . 196 E HG# . 26661 1 776 . 1 1 66 66 GLU HG3 H 1 2.461 . . 2 . . . . 196 E HG# . 26661 1 777 . 1 1 66 66 GLU C C 13 177.101 . . 1 . . . . 196 E C . 26661 1 778 . 1 1 66 66 GLU CA C 13 60.020 . . 1 . . . . 196 E CA . 26661 1 779 . 1 1 66 66 GLU CB C 13 29.962 . . 1 . . . . 196 E CB . 26661 1 780 . 1 1 66 66 GLU CG C 13 36.846 . . 1 . . . . 196 E CG . 26661 1 781 . 1 1 66 66 GLU N N 15 118.298 . . 1 . . . . 196 E N . 26661 1 782 . 1 1 67 67 GLN H H 1 7.977 . . 1 . . . . 197 Q H . 26661 1 783 . 1 1 67 67 GLN HA H 1 5.172 . . 1 . . . . 197 Q HA . 26661 1 784 . 1 1 67 67 GLN HB2 H 1 2.290 . . 1 . . . . 197 Q HB2 . 26661 1 785 . 1 1 67 67 GLN HB3 H 1 2.152 . . 1 . . . . 197 Q HB3 . 26661 1 786 . 1 1 67 67 GLN HG2 H 1 2.469 . . 2 . . . . 197 Q HG# . 26661 1 787 . 1 1 67 67 GLN HG3 H 1 2.469 . . 2 . . . . 197 Q HG# . 26661 1 788 . 1 1 67 67 GLN CA C 13 54.342 . . 1 . . . . 197 Q CA . 26661 1 789 . 1 1 67 67 GLN CB C 13 29.684 . . 1 . . . . 197 Q CB . 26661 1 790 . 1 1 67 67 GLN N N 15 114.698 . . 1 . . . . 197 Q N . 26661 1 791 . 1 1 69 69 GLU HA H 1 5.575 . . 1 . . . . 199 E HA . 26661 1 792 . 1 1 69 69 GLU HB2 H 1 2.470 . . 1 . . . . 199 E HB2 . 26661 1 793 . 1 1 69 69 GLU HB3 H 1 2.115 . . 1 . . . . 199 E HB3 . 26661 1 794 . 1 1 69 69 GLU HG2 H 1 2.323 . . 1 . . . . 199 E HG2 . 26661 1 795 . 1 1 69 69 GLU HG3 H 1 1.771 . . 1 . . . . 199 E HG3 . 26661 1 796 . 1 1 69 69 GLU C C 13 174.870 . . 1 . . . . 199 E C . 26661 1 797 . 1 1 69 69 GLU CA C 13 53.713 . . 1 . . . . 199 E CA . 26661 1 798 . 1 1 69 69 GLU CB C 13 35.347 . . 1 . . . . 199 E CB . 26661 1 799 . 1 1 69 69 GLU CG C 13 35.308 . . 1 . . . . 199 E CG . 26661 1 800 . 1 1 70 70 THR H H 1 9.021 . . 1 . . . . 200 T H . 26661 1 801 . 1 1 70 70 THR HA H 1 5.509 . . 1 . . . . 200 T HA . 26661 1 802 . 1 1 70 70 THR HB H 1 4.642 . . 1 . . . . 200 T HB . 26661 1 803 . 1 1 70 70 THR HG21 H 1 1.498 . . 1 . . . . 200 T HG2 . 26661 1 804 . 1 1 70 70 THR HG22 H 1 1.498 . . 1 . . . . 200 T HG2 . 26661 1 805 . 1 1 70 70 THR HG23 H 1 1.498 . . 1 . . . . 200 T HG2 . 26661 1 806 . 1 1 70 70 THR C C 13 176.304 . . 1 . . . . 200 T C . 26661 1 807 . 1 1 70 70 THR CA C 13 59.873 . . 1 . . . . 200 T CA . 26661 1 808 . 1 1 70 70 THR CB C 13 70.292 . . 1 . . . . 200 T CB . 26661 1 809 . 1 1 70 70 THR CG2 C 13 23.994 . . 1 . . . . 200 T CG2 . 26661 1 810 . 1 1 70 70 THR N N 15 110.227 . . 1 . . . . 200 T N . 26661 1 811 . 1 1 71 71 GLN H H 1 8.795 . . 1 . . . . 201 Q H . 26661 1 812 . 1 1 71 71 GLN HA H 1 4.629 . . 1 . . . . 201 Q HA . 26661 1 813 . 1 1 71 71 GLN HB2 H 1 2.098 . . 2 . . . . 201 Q HB# . 26661 1 814 . 1 1 71 71 GLN HB3 H 1 2.098 . . 2 . . . . 201 Q HB# . 26661 1 815 . 1 1 71 71 GLN HG2 H 1 2.511 . . 2 . . . . 201 Q HG# . 26661 1 816 . 1 1 71 71 GLN HG3 H 1 2.511 . . 2 . . . . 201 Q HG# . 26661 1 817 . 1 1 71 71 GLN CA C 13 54.019 . . 1 . . . . 201 Q CA . 26661 1 818 . 1 1 71 71 GLN CB C 13 34.059 . . 1 . . . . 201 Q CB . 26661 1 819 . 1 1 71 71 GLN N N 15 120.797 . . 1 . . . . 201 Q N . 26661 1 820 . 1 1 72 72 PRO HA H 1 4.280 . . 1 . . . . 202 P HA . 26661 1 821 . 1 1 72 72 PRO HB2 H 1 2.199 . . 1 . . . . 202 P HB2 . 26661 1 822 . 1 1 72 72 PRO HB3 H 1 1.800 . . 1 . . . . 202 P HB3 . 26661 1 823 . 1 1 72 72 PRO HG2 H 1 2.045 . . 2 . . . . 202 P HG# . 26661 1 824 . 1 1 72 72 PRO HG3 H 1 2.045 . . 2 . . . . 202 P HG# . 26661 1 825 . 1 1 72 72 PRO HD2 H 1 3.955 . . 2 . . . . 202 P HD# . 26661 1 826 . 1 1 72 72 PRO HD3 H 1 3.955 . . 2 . . . . 202 P HD# . 26661 1 827 . 1 1 72 72 PRO C C 13 176.062 . . 1 . . . . 202 P C . 26661 1 828 . 1 1 72 72 PRO CA C 13 62.185 . . 1 . . . . 202 P CA . 26661 1 829 . 1 1 72 72 PRO CB C 13 31.483 . . 1 . . . . 202 P CB . 26661 1 830 . 1 1 72 72 PRO CG C 13 27.765 . . 1 . . . . 202 P CG . 26661 1 831 . 1 1 72 72 PRO CD C 13 49.988 . . 1 . . . . 202 P CD . 26661 1 832 . 1 1 73 73 PHE H H 1 9.811 . . 1 . . . . 203 F H . 26661 1 833 . 1 1 73 73 PHE HA H 1 3.954 . . 1 . . . . 203 F HA . 26661 1 834 . 1 1 73 73 PHE HB2 H 1 3.237 . . 1 . . . . 203 F HB2 . 26661 1 835 . 1 1 73 73 PHE HB3 H 1 3.091 . . 1 . . . . 203 F HB3 . 26661 1 836 . 1 1 73 73 PHE HD1 H 1 7.355 . . 3 . . . . 203 F HD# . 26661 1 837 . 1 1 73 73 PHE HD2 H 1 7.355 . . 3 . . . . 203 F HD# . 26661 1 838 . 1 1 73 73 PHE HE1 H 1 7.441 . . 3 . . . . 203 F HE# . 26661 1 839 . 1 1 73 73 PHE HE2 H 1 7.441 . . 3 . . . . 203 F HE# . 26661 1 840 . 1 1 73 73 PHE HZ H 1 7.450 . . 1 . . . . 203 F HZ . 26661 1 841 . 1 1 73 73 PHE CA C 13 61.541 . . 1 . . . . 203 F CA . 26661 1 842 . 1 1 73 73 PHE CD1 C 13 131.176 . . 3 . . . . 203 F CD# . 26661 1 843 . 1 1 73 73 PHE CD2 C 13 131.176 . . 3 . . . . 203 F CD# . 26661 1 844 . 1 1 73 73 PHE CE1 C 13 130.033 . . 3 . . . . 203 F CE# . 26661 1 845 . 1 1 73 73 PHE CE2 C 13 130.033 . . 3 . . . . 203 F CE# . 26661 1 846 . 1 1 73 73 PHE CZ C 13 129.022 . . 1 . . . . 203 F CZ . 26661 1 847 . 1 1 73 73 PHE N N 15 122.548 . . 1 . . . . 203 F N . 26661 1 848 . 1 1 75 75 PRO HA H 1 4.119 . . 1 . . . . 205 P HA . 26661 1 849 . 1 1 75 75 PRO HB2 H 1 2.543 . . 1 . . . . 205 P HB2 . 26661 1 850 . 1 1 75 75 PRO HB3 H 1 2.107 . . 1 . . . . 205 P HB3 . 26661 1 851 . 1 1 75 75 PRO HG2 H 1 2.199 . . 1 . . . . 205 P HG2 . 26661 1 852 . 1 1 75 75 PRO HG3 H 1 1.954 . . 1 . . . . 205 P HG3 . 26661 1 853 . 1 1 75 75 PRO HD2 H 1 3.494 . . 2 . . . . 205 P HD# . 26661 1 854 . 1 1 75 75 PRO HD3 H 1 3.494 . . 2 . . . . 205 P HD# . 26661 1 855 . 1 1 75 75 PRO C C 13 176.260 . . 1 . . . . 205 P C . 26661 1 856 . 1 1 75 75 PRO CA C 13 63.970 . . 1 . . . . 205 P CA . 26661 1 857 . 1 1 75 75 PRO CB C 13 32.361 . . 1 . . . . 205 P CB . 26661 1 858 . 1 1 75 75 PRO CG C 13 26.503 . . 1 . . . . 205 P CG . 26661 1 859 . 1 1 75 75 PRO CD C 13 51.613 . . 1 . . . . 205 P CD . 26661 1 860 . 1 1 76 76 ASN H H 1 8.371 . . 1 . . . . 206 N H . 26661 1 861 . 1 1 76 76 ASN HA H 1 4.830 . . 1 . . . . 206 N HA . 26661 1 862 . 1 1 76 76 ASN HB2 H 1 2.978 . . 1 . . . . 206 N HB2 . 26661 1 863 . 1 1 76 76 ASN HB3 H 1 2.719 . . 1 . . . . 206 N HB3 . 26661 1 864 . 1 1 76 76 ASN C C 13 173.735 . . 1 . . . . 206 N C . 26661 1 865 . 1 1 76 76 ASN CA C 13 53.061 . . 1 . . . . 206 N CA . 26661 1 866 . 1 1 76 76 ASN CB C 13 39.335 . . 1 . . . . 206 N CB . 26661 1 867 . 1 1 76 76 ASN N N 15 115.485 . . 1 . . . . 206 N N . 26661 1 868 . 1 1 77 77 ASN H H 1 7.196 . . 1 . . . . 207 N H . 26661 1 869 . 1 1 77 77 ASN HA H 1 5.297 . . 1 . . . . 207 N HA . 26661 1 870 . 1 1 77 77 ASN HB2 H 1 2.978 . . 1 . . . . 207 N HB2 . 26661 1 871 . 1 1 77 77 ASN HB3 H 1 2.515 . . 1 . . . . 207 N HB3 . 26661 1 872 . 1 1 77 77 ASN CA C 13 49.169 . . 1 . . . . 207 N CA . 26661 1 873 . 1 1 77 77 ASN CB C 13 39.247 . . 1 . . . . 207 N CB . 26661 1 874 . 1 1 77 77 ASN N N 15 116.900 . . 1 . . . . 207 N N . 26661 1 875 . 1 1 78 78 PRO HA H 1 4.438 . . 1 . . . . 208 P HA . 26661 1 876 . 1 1 78 78 PRO HB2 H 1 2.532 . . 1 . . . . 208 P HB2 . 26661 1 877 . 1 1 78 78 PRO HB3 H 1 1.928 . . 1 . . . . 208 P HB3 . 26661 1 878 . 1 1 78 78 PRO HG2 H 1 2.118 . . 2 . . . . 208 P HG# . 26661 1 879 . 1 1 78 78 PRO HG3 H 1 2.118 . . 2 . . . . 208 P HG# . 26661 1 880 . 1 1 78 78 PRO HD2 H 1 4.035 . . 2 . . . . 208 P HD# . 26661 1 881 . 1 1 78 78 PRO HD3 H 1 4.035 . . 2 . . . . 208 P HD# . 26661 1 882 . 1 1 78 78 PRO C C 13 179.121 . . 1 . . . . 208 P C . 26661 1 883 . 1 1 78 78 PRO CA C 13 64.555 . . 1 . . . . 208 P CA . 26661 1 884 . 1 1 78 78 PRO CB C 13 32.800 . . 1 . . . . 208 P CB . 26661 1 885 . 1 1 78 78 PRO CG C 13 27.272 . . 1 . . . . 208 P CG . 26661 1 886 . 1 1 78 78 PRO CD C 13 51.468 . . 1 . . . . 208 P CD . 26661 1 887 . 1 1 79 79 LYS H H 1 8.015 . . 1 . . . . 209 K H . 26661 1 888 . 1 1 79 79 LYS HA H 1 4.262 . . 1 . . . . 209 K HA . 26661 1 889 . 1 1 79 79 LYS HB2 H 1 2.111 . . 1 . . . . 209 K HB2 . 26661 1 890 . 1 1 79 79 LYS HB3 H 1 1.932 . . 1 . . . . 209 K HB3 . 26661 1 891 . 1 1 79 79 LYS HG2 H 1 1.460 . . 2 . . . . 209 K HG# . 26661 1 892 . 1 1 79 79 LYS HG3 H 1 1.460 . . 2 . . . . 209 K HG# . 26661 1 893 . 1 1 79 79 LYS HD2 H 1 1.639 . . 2 . . . . 209 K HD# . 26661 1 894 . 1 1 79 79 LYS HD3 H 1 1.639 . . 2 . . . . 209 K HD# . 26661 1 895 . 1 1 79 79 LYS HE2 H 1 3.135 . . 2 . . . . 209 K HE# . 26661 1 896 . 1 1 79 79 LYS HE3 H 1 3.135 . . 2 . . . . 209 K HE# . 26661 1 897 . 1 1 79 79 LYS C C 13 177.471 . . 1 . . . . 209 K C . 26661 1 898 . 1 1 79 79 LYS CA C 13 56.368 . . 1 . . . . 209 K CA . 26661 1 899 . 1 1 79 79 LYS CB C 13 31.491 . . 1 . . . . 209 K CB . 26661 1 900 . 1 1 79 79 LYS CG C 13 25.923 . . 1 . . . . 209 K CG . 26661 1 901 . 1 1 79 79 LYS CD C 13 28.940 . . 1 . . . . 209 K CD . 26661 1 902 . 1 1 79 79 LYS CE C 13 42.459 . . 1 . . . . 209 K CE . 26661 1 903 . 1 1 79 79 LYS N N 15 113.127 . . 1 . . . . 209 K N . 26661 1 904 . 1 1 80 80 ARG H H 1 7.794 . . 1 . . . . 210 R H . 26661 1 905 . 1 1 80 80 ARG HE H 1 8.337 . . 1 . . . . 210 R HE . 26661 1 906 . 1 1 80 80 ARG C C 13 173.563 . . 1 . . . . 210 R C . 26661 1 907 . 1 1 80 80 ARG CA C 13 55.870 . . 1 . . . . 210 R CA . 26661 1 908 . 1 1 80 80 ARG CB C 13 31.403 . . 1 . . . . 210 R CB . 26661 1 909 . 1 1 80 80 ARG CG C 13 28.737 . . 1 . . . . 210 R CG . 26661 1 910 . 1 1 80 80 ARG CD C 13 45.317 . . 1 . . . . 210 R CD . 26661 1 911 . 1 1 80 80 ARG N N 15 118.503 . . 1 . . . . 210 R N . 26661 1 912 . 1 1 80 80 ARG NE N 15 86.329 . . 1 . . . . 210 R NE . 26661 1 913 . 1 1 81 81 ALA H H 1 6.756 . . 1 . . . . 211 A H . 26661 1 914 . 1 1 81 81 ALA HA H 1 5.088 . . 1 . . . . 211 A HA . 26661 1 915 . 1 1 81 81 ALA HB1 H 1 1.514 . . 1 . . . . 211 A HB . 26661 1 916 . 1 1 81 81 ALA HB2 H 1 1.514 . . 1 . . . . 211 A HB . 26661 1 917 . 1 1 81 81 ALA HB3 H 1 1.514 . . 1 . . . . 211 A HB . 26661 1 918 . 1 1 81 81 ALA C C 13 172.451 . . 1 . . . . 211 A C . 26661 1 919 . 1 1 81 81 ALA CA C 13 50.778 . . 1 . . . . 211 A CA . 26661 1 920 . 1 1 81 81 ALA CB C 13 20.019 . . 1 . . . . 211 A CB . 26661 1 921 . 1 1 81 81 ALA N N 15 122.899 . . 1 . . . . 211 A N . 26661 1 922 . 1 1 82 82 TRP H H 1 7.231 . . 1 . . . . 212 W H . 26661 1 923 . 1 1 82 82 TRP HA H 1 4.900 . . 1 . . . . 212 W HA . 26661 1 924 . 1 1 82 82 TRP HB2 H 1 2.961 . . 2 . . . . 212 W HB# . 26661 1 925 . 1 1 82 82 TRP HB3 H 1 2.961 . . 2 . . . . 212 W HB# . 26661 1 926 . 1 1 82 82 TRP HD1 H 1 7.332 . . 1 . . . . 212 W HD1 . 26661 1 927 . 1 1 82 82 TRP HE1 H 1 9.114 . . 1 . . . . 212 W HE1 . 26661 1 928 . 1 1 82 82 TRP HZ2 H 1 6.999 . . 1 . . . . 212 W HZ2 . 26661 1 929 . 1 1 82 82 TRP HZ3 H 1 7.166 . . 1 . . . . 212 W HZ3 . 26661 1 930 . 1 1 82 82 TRP HH2 H 1 6.819 . . 1 . . . . 212 W HH2 . 26661 1 931 . 1 1 82 82 TRP C C 13 174.390 . . 1 . . . . 212 W C . 26661 1 932 . 1 1 82 82 TRP CA C 13 55.782 . . 1 . . . . 212 W CA . 26661 1 933 . 1 1 82 82 TRP CB C 13 30.949 . . 1 . . . . 212 W CB . 26661 1 934 . 1 1 82 82 TRP CD1 C 13 128.650 . . 1 . . . . 212 W CD1 . 26661 1 935 . 1 1 82 82 TRP CZ2 C 13 111.703 . . 1 . . . . 212 W CZ2 . 26661 1 936 . 1 1 82 82 TRP CZ3 C 13 119.397 . . 1 . . . . 212 W CZ3 . 26661 1 937 . 1 1 82 82 TRP CH2 C 13 123.552 . . 1 . . . . 212 W CH2 . 26661 1 938 . 1 1 82 82 TRP N N 15 127.076 . . 1 . . . . 212 W N . 26661 1 939 . 1 1 82 82 TRP NE1 N 15 126.034 . . 1 . . . . 212 W NE1 . 26661 1 940 . 1 1 83 83 ILE H H 1 9.545 . . 1 . . . . 213 I H . 26661 1 941 . 1 1 83 83 ILE HA H 1 5.109 . . 1 . . . . 213 I HA . 26661 1 942 . 1 1 83 83 ILE HB H 1 2.052 . . 1 . . . . 213 I HB . 26661 1 943 . 1 1 83 83 ILE HG12 H 1 1.210 . . 1 . . . . 213 I HG1# . 26661 1 944 . 1 1 83 83 ILE HG13 H 1 1.210 . . 1 . . . . 213 I HG1# . 26661 1 945 . 1 1 83 83 ILE HG21 H 1 0.864 . . 1 . . . . 213 I HG2 . 26661 1 946 . 1 1 83 83 ILE HG22 H 1 0.864 . . 1 . . . . 213 I HG2 . 26661 1 947 . 1 1 83 83 ILE HG23 H 1 0.864 . . 1 . . . . 213 I HG2 . 26661 1 948 . 1 1 83 83 ILE HD11 H 1 0.789 . . 1 . . . . 213 I HD1 . 26661 1 949 . 1 1 83 83 ILE HD12 H 1 0.789 . . 1 . . . . 213 I HD1 . 26661 1 950 . 1 1 83 83 ILE HD13 H 1 0.789 . . 1 . . . . 213 I HD1 . 26661 1 951 . 1 1 83 83 ILE C C 13 175.012 . . 1 . . . . 213 I C . 26661 1 952 . 1 1 83 83 ILE CA C 13 58.388 . . 1 . . . . 213 I CA . 26661 1 953 . 1 1 83 83 ILE CB C 13 42.115 . . 1 . . . . 213 I CB . 26661 1 954 . 1 1 83 83 ILE CG1 C 13 25.908 . . 1 . . . . 213 I CG1 . 26661 1 955 . 1 1 83 83 ILE CG2 C 13 18.772 . . 1 . . . . 213 I CG2 . 26661 1 956 . 1 1 83 83 ILE CD1 C 13 14.144 . . 1 . . . . 213 I CD1 . 26661 1 957 . 1 1 83 83 ILE N N 15 115.003 . . 1 . . . . 213 I N . 26661 1 958 . 1 1 84 84 VAL H H 1 8.994 . . 1 . . . . 214 V H . 26661 1 959 . 1 1 84 84 VAL HA H 1 4.271 . . 1 . . . . 214 V HA . 26661 1 960 . 1 1 84 84 VAL HB H 1 2.056 . . 1 . . . . 214 V HB . 26661 1 961 . 1 1 84 84 VAL HG11 H 1 0.843 . . 2 . . . . 214 V HG# . 26661 1 962 . 1 1 84 84 VAL HG12 H 1 0.843 . . 2 . . . . 214 V HG# . 26661 1 963 . 1 1 84 84 VAL HG13 H 1 0.843 . . 2 . . . . 214 V HG# . 26661 1 964 . 1 1 84 84 VAL HG21 H 1 0.843 . . 2 . . . . 214 V HG# . 26661 1 965 . 1 1 84 84 VAL HG22 H 1 0.843 . . 2 . . . . 214 V HG# . 26661 1 966 . 1 1 84 84 VAL HG23 H 1 0.843 . . 2 . . . . 214 V HG# . 26661 1 967 . 1 1 84 84 VAL C C 13 176.582 . . 1 . . . . 214 V C . 26661 1 968 . 1 1 84 84 VAL CA C 13 62.777 . . 1 . . . . 214 V CA . 26661 1 969 . 1 1 84 84 VAL CB C 13 32.032 . . 1 . . . . 214 V CB . 26661 1 970 . 1 1 84 84 VAL CG1 C 13 21.252 . . 2 . . . . 214 V CG# . 26661 1 971 . 1 1 84 84 VAL CG2 C 13 21.252 . . 2 . . . . 214 V CG# . 26661 1 972 . 1 1 84 84 VAL N N 15 121.097 . . 1 . . . . 214 V N . 26661 1 973 . 1 1 85 85 SER H H 1 8.843 . . 1 . . . . 215 S H . 26661 1 974 . 1 1 85 85 SER HA H 1 4.838 . . 1 . . . . 215 S HA . 26661 1 975 . 1 1 85 85 SER HB2 H 1 3.787 . . 1 . . . . 215 S HB2 . 26661 1 976 . 1 1 85 85 SER HB3 H 1 3.362 . . 1 . . . . 215 S HB3 . 26661 1 977 . 1 1 85 85 SER C C 13 175.276 . . 1 . . . . 215 S C . 26661 1 978 . 1 1 85 85 SER CA C 13 55.695 . . 1 . . . . 215 S CA . 26661 1 979 . 1 1 85 85 SER CB C 13 62.632 . . 1 . . . . 215 S CB . 26661 1 980 . 1 1 85 85 SER N N 15 122.901 . . 1 . . . . 215 S N . 26661 1 981 . 1 1 86 86 GLY H H 1 9.424 . . 1 . . . . 216 G H . 26661 1 982 . 1 1 86 86 GLY HA2 H 1 4.179 . . 1 . . . . 216 G HA2 . 26661 1 983 . 1 1 86 86 GLY HA3 H 1 3.754 . . 1 . . . . 216 G HA3 . 26661 1 984 . 1 1 86 86 GLY C C 13 174.163 . . 1 . . . . 216 G C . 26661 1 985 . 1 1 86 86 GLY CA C 13 47.778 . . 1 . . . . 216 G CA . 26661 1 986 . 1 1 86 86 GLY N N 15 120.161 . . 1 . . . . 216 G N . 26661 1 987 . 1 1 87 87 ASN H H 1 8.883 . . 1 . . . . 217 N H . 26661 1 988 . 1 1 87 87 ASN HA H 1 5.280 . . 1 . . . . 217 N HA . 26661 1 989 . 1 1 87 87 ASN HB2 H 1 3.262 . . 1 . . . . 217 N HB2 . 26661 1 990 . 1 1 87 87 ASN HB3 H 1 3.107 . . 1 . . . . 217 N HB3 . 26661 1 991 . 1 1 87 87 ASN C C 13 173.812 . . 1 . . . . 217 N C . 26661 1 992 . 1 1 87 87 ASN CA C 13 53.208 . . 1 . . . . 217 N CA . 26661 1 993 . 1 1 87 87 ASN CB C 13 38.955 . . 1 . . . . 217 N CB . 26661 1 994 . 1 1 87 87 ASN N N 15 126.594 . . 1 . . . . 217 N N . 26661 1 995 . 1 1 88 88 THR H H 1 8.056 . . 1 . . . . 218 T H . 26661 1 996 . 1 1 88 88 THR HA H 1 5.146 . . 1 . . . . 218 T HA . 26661 1 997 . 1 1 88 88 THR HB H 1 4.471 . . 1 . . . . 218 T HB . 26661 1 998 . 1 1 88 88 THR HG21 H 1 1.443 . . 1 . . . . 218 T HG2 . 26661 1 999 . 1 1 88 88 THR HG22 H 1 1.443 . . 1 . . . . 218 T HG2 . 26661 1 1000 . 1 1 88 88 THR HG23 H 1 1.443 . . 1 . . . . 218 T HG2 . 26661 1 1001 . 1 1 88 88 THR C C 13 172.407 . . 1 . . . . 218 T C . 26661 1 1002 . 1 1 88 88 THR CA C 13 59.748 . . 1 . . . . 218 T CA . 26661 1 1003 . 1 1 88 88 THR CB C 13 73.094 . . 1 . . . . 218 T CB . 26661 1 1004 . 1 1 88 88 THR CG2 C 13 22.543 . . 1 . . . . 218 T CG2 . 26661 1 1005 . 1 1 88 88 THR N N 15 109.604 . . 1 . . . . 218 T N . 26661 1 1006 . 1 1 89 89 ILE H H 1 9.127 . . 1 . . . . 219 I H . 26661 1 1007 . 1 1 89 89 ILE HA H 1 5.117 . . 1 . . . . 219 I HA . 26661 1 1008 . 1 1 89 89 ILE HB H 1 1.660 . . 1 . . . . 219 I HB . 26661 1 1009 . 1 1 89 89 ILE HG12 H 1 1.214 . . 1 . . . . 219 I HG1# . 26661 1 1010 . 1 1 89 89 ILE HG13 H 1 1.214 . . 1 . . . . 219 I HG1# . 26661 1 1011 . 1 1 89 89 ILE HG21 H 1 0.776 . . 1 . . . . 219 I HG2 . 26661 1 1012 . 1 1 89 89 ILE HG22 H 1 0.776 . . 1 . . . . 219 I HG2 . 26661 1 1013 . 1 1 89 89 ILE HG23 H 1 0.776 . . 1 . . . . 219 I HG2 . 26661 1 1014 . 1 1 89 89 ILE HD11 H 1 0.509 . . 1 . . . . 219 I HD1 . 26661 1 1015 . 1 1 89 89 ILE HD12 H 1 0.509 . . 1 . . . . 219 I HD1 . 26661 1 1016 . 1 1 89 89 ILE HD13 H 1 0.509 . . 1 . . . . 219 I HD1 . 26661 1 1017 . 1 1 89 89 ILE C C 13 174.654 . . 1 . . . . 219 I C . 26661 1 1018 . 1 1 89 89 ILE CA C 13 58.593 . . 1 . . . . 219 I CA . 26661 1 1019 . 1 1 89 89 ILE CB C 13 34.945 . . 1 . . . . 219 I CB . 26661 1 1020 . 1 1 89 89 ILE CG1 C 13 26.663 . . 1 . . . . 219 I CG1 . 26661 1 1021 . 1 1 89 89 ILE CG2 C 13 18.801 . . 1 . . . . 219 I CG2 . 26661 1 1022 . 1 1 89 89 ILE N N 15 123.104 . . 1 . . . . 219 I N . 26661 1 1023 . 1 1 90 90 ALA H H 1 8.995 . . 1 . . . . 220 A H . 26661 1 1024 . 1 1 90 90 ALA HA H 1 5.572 . . 1 . . . . 220 A HA . 26661 1 1025 . 1 1 90 90 ALA HB1 H 1 1.414 . . 1 . . . . 220 A HB . 26661 1 1026 . 1 1 90 90 ALA HB2 H 1 1.414 . . 1 . . . . 220 A HB . 26661 1 1027 . 1 1 90 90 ALA HB3 H 1 1.414 . . 1 . . . . 220 A HB . 26661 1 1028 . 1 1 90 90 ALA C C 13 175.093 . . 1 . . . . 220 A C . 26661 1 1029 . 1 1 90 90 ALA CA C 13 50.141 . . 1 . . . . 220 A CA . 26661 1 1030 . 1 1 90 90 ALA CB C 13 24.313 . . 1 . . . . 220 A CB . 26661 1 1031 . 1 1 90 90 ALA N N 15 128.300 . . 1 . . . . 220 A N . 26661 1 1032 . 1 1 91 91 GLN H H 1 8.124 . . 1 . . . . 221 Q H . 26661 1 1033 . 1 1 91 91 GLN HA H 1 2.978 . . 1 . . . . 221 Q HA . 26661 1 1034 . 1 1 91 91 GLN HB2 H 1 2.190 . . 1 . . . . 221 Q HB2 . 26661 1 1035 . 1 1 91 91 GLN HB3 H 1 1.293 . . 1 . . . . 221 Q HB3 . 26661 1 1036 . 1 1 91 91 GLN HG2 H 1 1.877 . . 1 . . . . 221 Q HG2 . 26661 1 1037 . 1 1 91 91 GLN HG3 H 1 1.481 . . 1 . . . . 221 Q HG3 . 26661 1 1038 . 1 1 91 91 GLN C C 13 178.027 . . 1 . . . . 221 Q C . 26661 1 1039 . 1 1 91 91 GLN CA C 13 55.651 . . 1 . . . . 221 Q CA . 26661 1 1040 . 1 1 91 91 GLN CB C 13 27.848 . . 1 . . . . 221 Q CB . 26661 1 1041 . 1 1 91 91 GLN CG C 13 33.865 . . 1 . . . . 221 Q CG . 26661 1 1042 . 1 1 91 91 GLN N N 15 125.342 . . 1 . . . . 221 Q N . 26661 1 1043 . 1 1 92 92 LEU H H 1 8.445 . . 1 . . . . 222 L H . 26661 1 1044 . 1 1 92 92 LEU HA H 1 3.708 . . 1 . . . . 222 L HA . 26661 1 1045 . 1 1 92 92 LEU HB2 H 1 1.910 . . 1 . . . . 222 L HB2 . 26661 1 1046 . 1 1 92 92 LEU HB3 H 1 1.218 . . 1 . . . . 222 L HB3 . 26661 1 1047 . 1 1 92 92 LEU HG H 1 1.548 . . 1 . . . . 222 L HG . 26661 1 1048 . 1 1 92 92 LEU HD11 H 1 0.897 . . 2 . . . . 222 L HD# . 26661 1 1049 . 1 1 92 92 LEU HD12 H 1 0.897 . . 2 . . . . 222 L HD# . 26661 1 1050 . 1 1 92 92 LEU HD13 H 1 0.897 . . 2 . . . . 222 L HD# . 26661 1 1051 . 1 1 92 92 LEU HD21 H 1 0.897 . . 2 . . . . 222 L HD# . 26661 1 1052 . 1 1 92 92 LEU HD22 H 1 0.897 . . 2 . . . . 222 L HD# . 26661 1 1053 . 1 1 92 92 LEU HD23 H 1 0.897 . . 2 . . . . 222 L HD# . 26661 1 1054 . 1 1 92 92 LEU C C 13 178.817 . . 1 . . . . 222 L C . 26661 1 1055 . 1 1 92 92 LEU CA C 13 59.551 . . 1 . . . . 222 L CA . 26661 1 1056 . 1 1 92 92 LEU CB C 13 42.576 . . 1 . . . . 222 L CB . 26661 1 1057 . 1 1 92 92 LEU CG C 13 26.931 . . 1 . . . . 222 L CG . 26661 1 1058 . 1 1 92 92 LEU CD1 C 13 25.597 . . 1 . . . . 222 L CD1 . 26661 1 1059 . 1 1 92 92 LEU CD2 C 13 24.436 . . 1 . . . . 222 L CD2 . 26661 1 1060 . 1 1 92 92 LEU N N 15 130.167 . . 1 . . . . 222 L N . 26661 1 1061 . 1 1 93 93 SER H H 1 8.308 . . 1 . . . . 223 S H . 26661 1 1062 . 1 1 93 93 SER HA H 1 4.414 . . 1 . . . . 223 S HA . 26661 1 1063 . 1 1 93 93 SER HB2 H 1 3.799 . . 2 . . . . 223 S HB# . 26661 1 1064 . 1 1 93 93 SER HB3 H 1 3.799 . . 2 . . . . 223 S HB# . 26661 1 1065 . 1 1 93 93 SER C C 13 174.273 . . 1 . . . . 223 S C . 26661 1 1066 . 1 1 93 93 SER CA C 13 58.578 . . 1 . . . . 223 S CA . 26661 1 1067 . 1 1 93 93 SER CB C 13 63.905 . . 1 . . . . 223 S CB . 26661 1 1068 . 1 1 93 93 SER N N 15 108.102 . . 1 . . . . 223 S N . 26661 1 1069 . 1 1 94 94 ASP H H 1 7.350 . . 1 . . . . 224 D H . 26661 1 1070 . 1 1 94 94 ASP HA H 1 4.628 . . 1 . . . . 224 D HA . 26661 1 1071 . 1 1 94 94 ASP HB2 H 1 2.585 . . 2 . . . . 224 D HB# . 26661 1 1072 . 1 1 94 94 ASP HB3 H 1 2.585 . . 2 . . . . 224 D HB# . 26661 1 1073 . 1 1 94 94 ASP C C 13 174.602 . . 1 . . . . 224 D C . 26661 1 1074 . 1 1 94 94 ASP CA C 13 54.114 . . 1 . . . . 224 D CA . 26661 1 1075 . 1 1 94 94 ASP CB C 13 40.461 . . 1 . . . . 224 D CB . 26661 1 1076 . 1 1 94 94 ASP N N 15 120.695 . . 1 . . . . 224 D N . 26661 1 1077 . 1 1 95 95 ARG H H 1 8.677 . . 1 . . . . 225 R H . 26661 1 1078 . 1 1 95 95 ARG HA H 1 4.220 . . 1 . . . . 225 R HA . 26661 1 1079 . 1 1 95 95 ARG HB2 H 1 1.937 . . 1 . . . . 225 R HB2 . 26661 1 1080 . 1 1 95 95 ARG HB3 H 1 1.830 . . 1 . . . . 225 R HB3 . 26661 1 1081 . 1 1 95 95 ARG HG2 H 1 1.643 . . 2 . . . . 225 R HG# . 26661 1 1082 . 1 1 95 95 ARG HG3 H 1 1.643 . . 2 . . . . 225 R HG# . 26661 1 1083 . 1 1 95 95 ARG HD2 H 1 3.286 . . 1 . . . . 225 R HD2 . 26661 1 1084 . 1 1 95 95 ARG HD3 H 1 3.115 . . 1 . . . . 225 R HD3 . 26661 1 1085 . 1 1 95 95 ARG HE H 1 7.404 . . 1 . . . . 225 R HE . 26661 1 1086 . 1 1 95 95 ARG C C 13 175.429 . . 1 . . . . 225 R C . 26661 1 1087 . 1 1 95 95 ARG CA C 13 57.349 . . 1 . . . . 225 R CA . 26661 1 1088 . 1 1 95 95 ARG CB C 13 28.989 . . 1 . . . . 225 R CB . 26661 1 1089 . 1 1 95 95 ARG CG C 13 27.381 . . 1 . . . . 225 R CG . 26661 1 1090 . 1 1 95 95 ARG CD C 13 42.583 . . 1 . . . . 225 R CD . 26661 1 1091 . 1 1 95 95 ARG N N 15 121.498 . . 1 . . . . 225 R N . 26661 1 1092 . 1 1 95 95 ARG NE N 15 84.747 . . 1 . . . . 225 R NE . 26661 1 1093 . 1 1 96 96 ASP H H 1 7.661 . . 1 . . . . 226 D H . 26661 1 1094 . 1 1 96 96 ASP HA H 1 4.808 . . 1 . . . . 226 D HA . 26661 1 1095 . 1 1 96 96 ASP HB2 H 1 2.912 . . 1 . . . . 226 D HB2 . 26661 1 1096 . 1 1 96 96 ASP HB3 H 1 2.677 . . 1 . . . . 226 D HB3 . 26661 1 1097 . 1 1 96 96 ASP C C 13 174.449 . . 1 . . . . 226 D C . 26661 1 1098 . 1 1 96 96 ASP CA C 13 54.700 . . 1 . . . . 226 D CA . 26661 1 1099 . 1 1 96 96 ASP CB C 13 42.042 . . 1 . . . . 226 D CB . 26661 1 1100 . 1 1 96 96 ASP N N 15 114.902 . . 1 . . . . 226 D N . 26661 1 1101 . 1 1 97 97 ASN H H 1 8.318 . . 1 . . . . 227 N H . 26661 1 1102 . 1 1 97 97 ASN HA H 1 4.927 . . 1 . . . . 227 N HA . 26661 1 1103 . 1 1 97 97 ASN HB2 H 1 3.279 . . 1 . . . . 227 N HB2 . 26661 1 1104 . 1 1 97 97 ASN HB3 H 1 2.512 . . 1 . . . . 227 N HB3 . 26661 1 1105 . 1 1 97 97 ASN C C 13 173.168 . . 1 . . . . 227 N C . 26661 1 1106 . 1 1 97 97 ASN CA C 13 53.120 . . 1 . . . . 227 N CA . 26661 1 1107 . 1 1 97 97 ASN CB C 13 39.686 . . 1 . . . . 227 N CB . 26661 1 1108 . 1 1 97 97 ASN N N 15 122.968 . . 1 . . . . 227 N N . 26661 1 1109 . 1 1 98 98 VAL H H 1 8.339 . . 1 . . . . 228 V H . 26661 1 1110 . 1 1 98 98 VAL HA H 1 6.036 . . 1 . . . . 228 V HA . 26661 1 1111 . 1 1 98 98 VAL HB H 1 2.967 . . 1 . . . . 228 V HB . 26661 1 1112 . 1 1 98 98 VAL HG11 H 1 0.984 . . 1 . . . . 228 V HG1 . 26661 1 1113 . 1 1 98 98 VAL HG12 H 1 0.984 . . 1 . . . . 228 V HG1 . 26661 1 1114 . 1 1 98 98 VAL HG13 H 1 0.984 . . 1 . . . . 228 V HG1 . 26661 1 1115 . 1 1 98 98 VAL HG21 H 1 0.796 . . 1 . . . . 228 V HG2 . 26661 1 1116 . 1 1 98 98 VAL HG22 H 1 0.796 . . 1 . . . . 228 V HG2 . 26661 1 1117 . 1 1 98 98 VAL HG23 H 1 0.796 . . 1 . . . . 228 V HG2 . 26661 1 1118 . 1 1 98 98 VAL C C 13 175.890 . . 1 . . . . 228 V C . 26661 1 1119 . 1 1 98 98 VAL CA C 13 58.102 . . 1 . . . . 228 V CA . 26661 1 1120 . 1 1 98 98 VAL CB C 13 35.054 . . 1 . . . . 228 V CB . 26661 1 1121 . 1 1 98 98 VAL CG1 C 13 22.006 . . 1 . . . . 228 V CG1 . 26661 1 1122 . 1 1 98 98 VAL CG2 C 13 20.106 . . 1 . . . . 228 V CG2 . 26661 1 1123 . 1 1 98 98 VAL N N 15 115.497 . . 1 . . . . 228 V N . 26661 1 1124 . 1 1 99 99 LEU H H 1 8.603 . . 1 . . . . 229 L H . 26661 1 1125 . 1 1 99 99 LEU HA H 1 4.812 . . 1 . . . . 229 L HA . 26661 1 1126 . 1 1 99 99 LEU HB2 H 1 1.528 . . 1 . . . . 229 L HB2 . 26661 1 1127 . 1 1 99 99 LEU HB3 H 1 0.998 . . 1 . . . . 229 L HB3 . 26661 1 1128 . 1 1 99 99 LEU HG H 1 1.359 . . 1 . . . . 229 L HG . 26661 1 1129 . 1 1 99 99 LEU HD11 H 1 0.066 . . 1 . . . . 229 L HD1 . 26661 1 1130 . 1 1 99 99 LEU HD12 H 1 0.066 . . 1 . . . . 229 L HD1 . 26661 1 1131 . 1 1 99 99 LEU HD13 H 1 0.066 . . 1 . . . . 229 L HD1 . 26661 1 1132 . 1 1 99 99 LEU HD21 H 1 -0.340 . . 1 . . . . 229 L HD2 . 26661 1 1133 . 1 1 99 99 LEU HD22 H 1 -0.340 . . 1 . . . . 229 L HD2 . 26661 1 1134 . 1 1 99 99 LEU HD23 H 1 -0.340 . . 1 . . . . 229 L HD2 . 26661 1 1135 . 1 1 99 99 LEU C C 13 178.239 . . 1 . . . . 229 L C . 26661 1 1136 . 1 1 99 99 LEU CA C 13 54.144 . . 1 . . . . 229 L CA . 26661 1 1137 . 1 1 99 99 LEU CB C 13 42.218 . . 1 . . . . 229 L CB . 26661 1 1138 . 1 1 99 99 LEU CG C 13 25.473 . . 1 . . . . 229 L CG . 26661 1 1139 . 1 1 99 99 LEU CD1 C 13 21.209 . . 2 . . . . 229 L CD# . 26661 1 1140 . 1 1 99 99 LEU CD2 C 13 21.209 . . 2 . . . . 229 L CD# . 26661 1 1141 . 1 1 99 99 LEU N N 15 117.502 . . 1 . . . . 229 L N . 26661 1 1142 . 1 1 100 100 GLY H H 1 9.042 . . 1 . . . . 230 G H . 26661 1 1143 . 1 1 100 100 GLY HA2 H 1 5.035 . . 1 . . . . 230 G HA2 . 26661 1 1144 . 1 1 100 100 GLY HA3 H 1 3.642 . . 1 . . . . 230 G HA3 . 26661 1 1145 . 1 1 100 100 GLY C C 13 171.837 . . 1 . . . . 230 G C . 26661 1 1146 . 1 1 100 100 GLY CA C 13 46.541 . . 1 . . . . 230 G CA . 26661 1 1147 . 1 1 100 100 GLY N N 15 104.106 . . 1 . . . . 230 G N . 26661 1 1148 . 1 1 101 101 VAL H H 1 8.470 . . 1 . . . . 231 V H . 26661 1 1149 . 1 1 101 101 VAL HA H 1 4.575 . . 1 . . . . 231 V HA . 26661 1 1150 . 1 1 101 101 VAL HB H 1 1.941 . . 1 . . . . 231 V HB . 26661 1 1151 . 1 1 101 101 VAL HG11 H 1 1.173 . . 1 . . . . 231 V HG1 . 26661 1 1152 . 1 1 101 101 VAL HG12 H 1 1.173 . . 1 . . . . 231 V HG1 . 26661 1 1153 . 1 1 101 101 VAL HG13 H 1 1.173 . . 1 . . . . 231 V HG1 . 26661 1 1154 . 1 1 101 101 VAL HG21 H 1 0.997 . . 1 . . . . 231 V HG2 . 26661 1 1155 . 1 1 101 101 VAL HG22 H 1 0.997 . . 1 . . . . 231 V HG2 . 26661 1 1156 . 1 1 101 101 VAL HG23 H 1 0.997 . . 1 . . . . 231 V HG2 . 26661 1 1157 . 1 1 101 101 VAL C C 13 175.393 . . 1 . . . . 231 V C . 26661 1 1158 . 1 1 101 101 VAL CA C 13 62.500 . . 1 . . . . 231 V CA . 26661 1 1159 . 1 1 101 101 VAL CB C 13 34.140 . . 1 . . . . 231 V CB . 26661 1 1160 . 1 1 101 101 VAL CG1 C 13 22.514 . . 2 . . . . 231 V CG# . 26661 1 1161 . 1 1 101 101 VAL CG2 C 13 22.514 . . 2 . . . . 231 V CG# . 26661 1 1162 . 1 1 101 101 VAL N N 15 120.990 . . 1 . . . . 231 V N . 26661 1 1163 . 1 1 102 102 ILE H H 1 8.847 . . 1 . . . . 232 I H . 26661 1 1164 . 1 1 102 102 ILE HA H 1 4.348 . . 1 . . . . 232 I HA . 26661 1 1165 . 1 1 102 102 ILE HB H 1 1.462 . . 1 . . . . 232 I HB . 26661 1 1166 . 1 1 102 102 ILE HG12 H 1 1.220 . . 1 . . . . 232 I HG1# . 26661 1 1167 . 1 1 102 102 ILE HG13 H 1 1.220 . . 1 . . . . 232 I HG1# . 26661 1 1168 . 1 1 102 102 ILE HG21 H 1 0.924 . . 1 . . . . 232 I HG2 . 26661 1 1169 . 1 1 102 102 ILE HG22 H 1 0.924 . . 1 . . . . 232 I HG2 . 26661 1 1170 . 1 1 102 102 ILE HG23 H 1 0.924 . . 1 . . . . 232 I HG2 . 26661 1 1171 . 1 1 102 102 ILE HD11 H 1 0.624 . . 1 . . . . 232 I HD1 . 26661 1 1172 . 1 1 102 102 ILE HD12 H 1 0.624 . . 1 . . . . 232 I HD1 . 26661 1 1173 . 1 1 102 102 ILE HD13 H 1 0.624 . . 1 . . . . 232 I HD1 . 26661 1 1174 . 1 1 102 102 ILE C C 13 175.005 . . 1 . . . . 232 I C . 26661 1 1175 . 1 1 102 102 ILE CA C 13 59.375 . . 1 . . . . 232 I CA . 26661 1 1176 . 1 1 102 102 ILE CB C 13 39.020 . . 1 . . . . 232 I CB . 26661 1 1177 . 1 1 102 102 ILE CG1 C 13 27.098 . . 1 . . . . 232 I CG1 . 26661 1 1178 . 1 1 102 102 ILE CG2 C 13 17.539 . . 1 . . . . 232 I CG2 . 26661 1 1179 . 1 1 102 102 ILE CD1 C 13 12.447 . . 1 . . . . 232 I CD1 . 26661 1 1180 . 1 1 102 102 ILE N N 15 127.304 . . 1 . . . . 232 I N . 26661 1 1181 . 1 1 103 103 LYS H H 1 8.461 . . 1 . . . . 233 K H . 26661 1 1182 . 1 1 103 103 LYS HA H 1 4.300 . . 1 . . . . 233 K HA . 26661 1 1183 . 1 1 103 103 LYS HB2 H 1 1.885 . . 2 . . . . 233 K HB# . 26661 1 1184 . 1 1 103 103 LYS HB3 H 1 1.885 . . 2 . . . . 233 K HB# . 26661 1 1185 . 1 1 103 103 LYS HG2 H 1 1.572 . . 2 . . . . 233 K HG# . 26661 1 1186 . 1 1 103 103 LYS HG3 H 1 1.572 . . 2 . . . . 233 K HG# . 26661 1 1187 . 1 1 103 103 LYS HD2 H 1 1.839 . . 2 . . . . 233 K HD# . 26661 1 1188 . 1 1 103 103 LYS HD3 H 1 1.839 . . 2 . . . . 233 K HD# . 26661 1 1189 . 1 1 103 103 LYS HE2 H 1 3.132 . . 2 . . . . 233 K HE# . 26661 1 1190 . 1 1 103 103 LYS HE3 H 1 3.132 . . 2 . . . . 233 K HE# . 26661 1 1191 . 1 1 103 103 LYS C C 13 176.541 . . 1 . . . . 233 K C . 26661 1 1192 . 1 1 103 103 LYS CA C 13 57.086 . . 1 . . . . 233 K CA . 26661 1 1193 . 1 1 103 103 LYS CB C 13 33.262 . . 1 . . . . 233 K CB . 26661 1 1194 . 1 1 103 103 LYS CG C 13 24.995 . . 1 . . . . 233 K CG . 26661 1 1195 . 1 1 103 103 LYS CD C 13 29.854 . . 1 . . . . 233 K CD . 26661 1 1196 . 1 1 103 103 LYS CE C 13 42.097 . . 1 . . . . 233 K CE . 26661 1 1197 . 1 1 103 103 LYS N N 15 125.608 . . 1 . . . . 233 K N . 26661 1 1198 . 1 1 104 104 SER H H 1 8.663 . . 1 . . . . 234 S H . 26661 1 1199 . 1 1 104 104 SER HA H 1 4.716 . . 1 . . . . 234 S HA . 26661 1 1200 . 1 1 104 104 SER HB2 H 1 3.932 . . 2 . . . . 234 S HB# . 26661 1 1201 . 1 1 104 104 SER HB3 H 1 3.932 . . 2 . . . . 234 S HB# . 26661 1 1202 . 1 1 104 104 SER C C 13 174.720 . . 1 . . . . 234 S C . 26661 1 1203 . 1 1 104 104 SER CA C 13 57.517 . . 1 . . . . 234 S CA . 26661 1 1204 . 1 1 104 104 SER CB C 13 64.848 . . 1 . . . . 234 S CB . 26661 1 1205 . 1 1 104 104 SER N N 15 117.798 . . 1 . . . . 234 S N . 26661 1 1206 . 1 1 105 105 ASP H H 1 8.779 . . 1 . . . . 235 D H . 26661 1 1207 . 1 1 105 105 ASP HA H 1 4.787 . . 1 . . . . 235 D HA . 26661 1 1208 . 1 1 105 105 ASP HB2 H 1 2.819 . . 2 . . . . 235 D HB# . 26661 1 1209 . 1 1 105 105 ASP HB3 H 1 2.819 . . 2 . . . . 235 D HB# . 26661 1 1210 . 1 1 105 105 ASP C C 13 176.549 . . 1 . . . . 235 D C . 26661 1 1211 . 1 1 105 105 ASP CA C 13 54.715 . . 1 . . . . 235 D CA . 26661 1 1212 . 1 1 105 105 ASP CB C 13 41.457 . . 1 . . . . 235 D CB . 26661 1 1213 . 1 1 105 105 ASP N N 15 124.295 . . 1 . . . . 235 D N . 26661 1 1214 . 1 1 106 106 LYS H H 1 8.675 . . 1 . . . . 236 K H . 26661 1 1215 . 1 1 106 106 LYS HA H 1 4.408 . . 1 . . . . 236 K HA . 26661 1 1216 . 1 1 106 106 LYS HB2 H 1 2.060 . . 2 . . . . 236 K HB# . 26661 1 1217 . 1 1 106 106 LYS HB3 H 1 2.060 . . 2 . . . . 236 K HB# . 26661 1 1218 . 1 1 106 106 LYS HG2 H 1 1.522 . . 2 . . . . 236 K HG# . 26661 1 1219 . 1 1 106 106 LYS HG3 H 1 1.522 . . 2 . . . . 236 K HG# . 26661 1 1220 . 1 1 106 106 LYS HD2 H 1 1.847 . . 2 . . . . 236 K HD# . 26661 1 1221 . 1 1 106 106 LYS HD3 H 1 1.847 . . 2 . . . . 236 K HD# . 26661 1 1222 . 1 1 106 106 LYS HE2 H 1 3.123 . . 2 . . . . 236 K HE# . 26661 1 1223 . 1 1 106 106 LYS HE3 H 1 3.123 . . 2 . . . . 236 K HE# . 26661 1 1224 . 1 1 106 106 LYS C C 13 177.215 . . 1 . . . . 236 K C . 26661 1 1225 . 1 1 106 106 LYS CA C 13 56.704 . . 1 . . . . 236 K CA . 26661 1 1226 . 1 1 106 106 LYS CB C 13 32.252 . . 1 . . . . 236 K CB . 26661 1 1227 . 1 1 106 106 LYS CG C 13 24.842 . . 1 . . . . 236 K CG . 26661 1 1228 . 1 1 106 106 LYS CD C 13 29.484 . . 1 . . . . 236 K CD . 26661 1 1229 . 1 1 106 106 LYS CE C 13 42.220 . . 1 . . . . 236 K CE . 26661 1 1230 . 1 1 106 106 LYS N N 15 119.002 . . 1 . . . . 236 K N . 26661 1 1231 . 1 1 107 107 GLY H H 1 8.496 . . 1 . . . . 237 G H . 26661 1 1232 . 1 1 107 107 GLY HA2 H 1 4.166 . . 1 . . . . 237 G HA2 . 26661 1 1233 . 1 1 107 107 GLY HA3 H 1 3.961 . . 1 . . . . 237 G HA3 . 26661 1 1234 . 1 1 107 107 GLY C C 13 173.929 . . 1 . . . . 237 G C . 26661 1 1235 . 1 1 107 107 GLY CA C 13 45.730 . . 1 . . . . 237 G CA . 26661 1 1236 . 1 1 107 107 GLY N N 15 109.028 . . 1 . . . . 237 G N . 26661 1 1237 . 1 1 108 108 ALA H H 1 7.787 . . 1 . . . . 238 A H . 26661 1 1238 . 1 1 108 108 ALA HA H 1 4.716 . . 1 . . . . 238 A HA . 26661 1 1239 . 1 1 108 108 ALA HB1 H 1 1.622 . . 1 . . . . 238 A HB . 26661 1 1240 . 1 1 108 108 ALA HB2 H 1 1.622 . . 1 . . . . 238 A HB . 26661 1 1241 . 1 1 108 108 ALA HB3 H 1 1.622 . . 1 . . . . 238 A HB . 26661 1 1242 . 1 1 108 108 ALA C C 13 177.258 . . 1 . . . . 238 A C . 26661 1 1243 . 1 1 108 108 ALA CA C 13 51.744 . . 1 . . . . 238 A CA . 26661 1 1244 . 1 1 108 108 ALA CB C 13 20.487 . . 1 . . . . 238 A CB . 26661 1 1245 . 1 1 108 108 ALA N N 15 122.600 . . 1 . . . . 238 A N . 26661 1 1246 . 1 1 109 109 SER H H 1 8.823 . . 1 . . . . 239 S H . 26661 1 1247 . 1 1 109 109 SER HA H 1 4.733 . . 1 . . . . 239 S HA . 26661 1 1248 . 1 1 109 109 SER HB2 H 1 4.508 . . 1 . . . . 239 S HB2 . 26661 1 1249 . 1 1 109 109 SER HB3 H 1 4.124 . . 1 . . . . 239 S HB3 . 26661 1 1250 . 1 1 109 109 SER C C 13 174.259 . . 1 . . . . 239 S C . 26661 1 1251 . 1 1 109 109 SER CA C 13 59.236 . . 1 . . . . 239 S CA . 26661 1 1252 . 1 1 109 109 SER CB C 13 63.758 . . 1 . . . . 239 S CB . 26661 1 1253 . 1 1 109 109 SER N N 15 116.978 . . 1 . . . . 239 S N . 26661 1 1254 . 1 1 110 110 ALA H H 1 9.185 . . 1 . . . . 240 A H . 26661 1 1255 . 1 1 110 110 ALA HA H 1 4.512 . . 1 . . . . 240 A HA . 26661 1 1256 . 1 1 110 110 ALA HB1 H 1 1.578 . . 1 . . . . 240 A HB . 26661 1 1257 . 1 1 110 110 ALA HB2 H 1 1.578 . . 1 . . . . 240 A HB . 26661 1 1258 . 1 1 110 110 ALA HB3 H 1 1.578 . . 1 . . . . 240 A HB . 26661 1 1259 . 1 1 110 110 ALA C C 13 176.285 . . 1 . . . . 240 A C . 26661 1 1260 . 1 1 110 110 ALA CA C 13 53.398 . . 1 . . . . 240 A CA . 26661 1 1261 . 1 1 110 110 ALA CB C 13 19.331 . . 1 . . . . 240 A CB . 26661 1 1262 . 1 1 110 110 ALA N N 15 129.230 . . 1 . . . . 240 A N . 26661 1 1263 . 1 1 111 111 HIS H H 1 8.336 . . 1 . . . . 241 H H . 26661 1 1264 . 1 1 111 111 HIS HA H 1 5.390 . . 1 . . . . 241 H HA . 26661 1 1265 . 1 1 111 111 HIS HB2 H 1 3.567 . . 1 . . . . 241 H HB2 . 26661 1 1266 . 1 1 111 111 HIS HB3 H 1 3.380 . . 1 . . . . 241 H HB3 . 26661 1 1267 . 1 1 111 111 HIS HD2 H 1 7.361 . . 1 . . . . 241 H HD2 . 26661 1 1268 . 1 1 111 111 HIS HE1 H 1 8.672 . . 1 . . . . 241 H HE1 . 26661 1 1269 . 1 1 111 111 HIS C C 13 172.093 . . 1 . . . . 241 H C . 26661 1 1270 . 1 1 111 111 HIS CA C 13 54.400 . . 1 . . . . 241 H CA . 26661 1 1271 . 1 1 111 111 HIS CB C 13 31.337 . . 1 . . . . 241 H CB . 26661 1 1272 . 1 1 111 111 HIS CD2 C 13 119.542 . . 1 . . . . 241 H CD2 . 26661 1 1273 . 1 1 111 111 HIS CE1 C 13 136.781 . . 1 . . . . 241 H CE1 . 26661 1 1274 . 1 1 111 111 HIS N N 15 114.804 . . 1 . . . . 241 H N . 26661 1 1275 . 1 1 112 112 ILE H H 1 8.352 . . 1 . . . . 242 I H . 26661 1 1276 . 1 1 112 112 ILE HA H 1 5.494 . . 1 . . . . 242 I HA . 26661 1 1277 . 1 1 112 112 ILE HB H 1 1.864 . . 1 . . . . 242 I HB . 26661 1 1278 . 1 1 112 112 ILE HG12 H 1 1.414 . . 1 . . . . 242 I HG1# . 26661 1 1279 . 1 1 112 112 ILE HG13 H 1 1.414 . . 1 . . . . 242 I HG1# . 26661 1 1280 . 1 1 112 112 ILE HG21 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 1 1281 . 1 1 112 112 ILE HG22 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 1 1282 . 1 1 112 112 ILE HG23 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 1 1283 . 1 1 112 112 ILE HD11 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 1 1284 . 1 1 112 112 ILE HD12 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 1 1285 . 1 1 112 112 ILE HD13 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 1 1286 . 1 1 112 112 ILE C C 13 175.100 . . 1 . . . . 242 I C . 26661 1 1287 . 1 1 112 112 ILE CA C 13 58.958 . . 1 . . . . 242 I CA . 26661 1 1288 . 1 1 112 112 ILE CB C 13 39.746 . . 1 . . . . 242 I CB . 26661 1 1289 . 1 1 112 112 ILE N N 15 119.499 . . 1 . . . . 242 I N . 26661 1 1290 . 1 1 113 113 CYS H H 1 9.043 . . 1 . . . . 243 C H . 26661 1 1291 . 1 1 113 113 CYS HA H 1 5.215 . . 1 . . . . 243 C HA . 26661 1 1292 . 1 1 113 113 CYS HB2 H 1 3.463 . . 1 . . . . 243 C HB2 . 26661 1 1293 . 1 1 113 113 CYS HB3 H 1 2.813 . . 1 . . . . 243 C HB3 . 26661 1 1294 . 1 1 113 113 CYS C C 13 171.464 . . 1 . . . . 243 C C . 26661 1 1295 . 1 1 113 113 CYS CA C 13 56.786 . . 1 . . . . 243 C CA . 26661 1 1296 . 1 1 113 113 CYS CB C 13 33.079 . . 1 . . . . 243 C CB . 26661 1 1297 . 1 1 113 113 CYS N N 15 123.997 . . 1 . . . . 243 C N . 26661 1 1298 . 1 1 114 114 ALA H H 1 9.098 . . 1 . . . . 244 A H . 26661 1 1299 . 1 1 114 114 ALA HA H 1 5.506 . . 1 . . . . 244 A HA . 26661 1 1300 . 1 1 114 114 ALA HB1 H 1 1.411 . . 1 . . . . 244 A HB . 26661 1 1301 . 1 1 114 114 ALA HB2 H 1 1.411 . . 1 . . . . 244 A HB . 26661 1 1302 . 1 1 114 114 ALA HB3 H 1 1.411 . . 1 . . . . 244 A HB . 26661 1 1303 . 1 1 114 114 ALA C C 13 177.346 . . 1 . . . . 244 A C . 26661 1 1304 . 1 1 114 114 ALA CA C 13 51.209 . . 1 . . . . 244 A CA . 26661 1 1305 . 1 1 114 114 ALA CB C 13 22.045 . . 1 . . . . 244 A CB . 26661 1 1306 . 1 1 114 114 ALA N N 15 124.096 . . 1 . . . . 244 A N . 26661 1 1307 . 1 1 115 115 TRP H H 1 9.345 . . 1 . . . . 245 W H . 26661 1 1308 . 1 1 115 115 TRP HA H 1 5.027 . . 1 . . . . 245 W HA . 26661 1 1309 . 1 1 115 115 TRP HB2 H 1 3.718 . . 1 . . . . 245 W HB2 . 26661 1 1310 . 1 1 115 115 TRP HB3 H 1 3.551 . . 1 . . . . 245 W HB3 . 26661 1 1311 . 1 1 115 115 TRP HD1 H 1 7.489 . . 1 . . . . 245 W HD1 . 26661 1 1312 . 1 1 115 115 TRP HE1 H 1 10.048 . . 1 . . . . 245 W HE1 . 26661 1 1313 . 1 1 115 115 TRP HZ2 H 1 7.400 . . 1 . . . . 245 W HZ2 . 26661 1 1314 . 1 1 115 115 TRP HZ3 H 1 7.360 . . 1 . . . . 245 W HZ3 . 26661 1 1315 . 1 1 115 115 TRP HH2 H 1 6.906 . . 1 . . . . 245 W HH2 . 26661 1 1316 . 1 1 115 115 TRP C C 13 173.798 . . 1 . . . . 245 W C . 26661 1 1317 . 1 1 115 115 TRP CA C 13 57.292 . . 1 . . . . 245 W CA . 26661 1 1318 . 1 1 115 115 TRP CB C 13 30.654 . . 1 . . . . 245 W CB . 26661 1 1319 . 1 1 115 115 TRP CD1 C 13 130.020 . . 1 . . . . 245 W CD1 . 26661 1 1320 . 1 1 115 115 TRP CZ2 C 13 114.074 . . 1 . . . . 245 W CZ2 . 26661 1 1321 . 1 1 115 115 TRP CZ3 C 13 120.192 . . 1 . . . . 245 W CZ3 . 26661 1 1322 . 1 1 115 115 TRP CH2 C 13 123.704 . . 1 . . . . 245 W CH2 . 26661 1 1323 . 1 1 115 115 TRP N N 15 123.725 . . 1 . . . . 245 W N . 26661 1 1324 . 1 1 115 115 TRP NE1 N 15 129.098 . . 1 . . . . 245 W NE1 . 26661 1 1325 . 1 1 116 116 LYS H H 1 8.107 . . 1 . . . . 246 K H . 26661 1 1326 . 1 1 116 116 LYS HA H 1 4.868 . . 1 . . . . 246 K HA . 26661 1 1327 . 1 1 116 116 LYS HB2 H 1 2.027 . . 1 . . . . 246 K HB2 . 26661 1 1328 . 1 1 116 116 LYS HB3 H 1 1.918 . . 1 . . . . 246 K HB3 . 26661 1 1329 . 1 1 116 116 LYS HG2 H 1 1.649 . . 2 . . . . 246 K HG# . 26661 1 1330 . 1 1 116 116 LYS HG3 H 1 1.649 . . 2 . . . . 246 K HG# . 26661 1 1331 . 1 1 116 116 LYS HD2 H 1 1.810 . . 2 . . . . 246 K HD# . 26661 1 1332 . 1 1 116 116 LYS HD3 H 1 1.810 . . 2 . . . . 246 K HD# . 26661 1 1333 . 1 1 116 116 LYS HE2 H 1 3.119 . . 2 . . . . 246 K HE# . 26661 1 1334 . 1 1 116 116 LYS HE3 H 1 3.119 . . 2 . . . . 246 K HE# . 26661 1 1335 . 1 1 116 116 LYS C C 13 178.897 . . 1 . . . . 246 K C . 26661 1 1336 . 1 1 116 116 LYS CA C 13 56.273 . . 1 . . . . 246 K CA . 26661 1 1337 . 1 1 116 116 LYS CB C 13 33.005 . . 1 . . . . 246 K CB . 26661 1 1338 . 1 1 116 116 LYS CG C 13 24.944 . . 1 . . . . 246 K CG . 26661 1 1339 . 1 1 116 116 LYS N N 15 119.104 . . 1 . . . . 246 K N . 26661 1 1340 . 1 1 117 117 GLN H H 1 9.013 . . 1 . . . . 247 Q H . 26661 1 1341 . 1 1 117 117 GLN HA H 1 4.043 . . 1 . . . . 247 Q HA . 26661 1 1342 . 1 1 117 117 GLN HB2 H 1 2.120 . . 2 . . . . 247 Q HB# . 26661 1 1343 . 1 1 117 117 GLN HB3 H 1 2.120 . . 2 . . . . 247 Q HB# . 26661 1 1344 . 1 1 117 117 GLN HG2 H 1 2.637 . . 2 . . . . 247 Q HG# . 26661 1 1345 . 1 1 117 117 GLN HG3 H 1 2.637 . . 2 . . . . 247 Q HG# . 26661 1 1346 . 1 1 117 117 GLN C C 13 176.395 . . 1 . . . . 247 Q C . 26661 1 1347 . 1 1 117 117 GLN CA C 13 57.437 . . 1 . . . . 247 Q CA . 26661 1 1348 . 1 1 117 117 GLN CB C 13 30.467 . . 1 . . . . 247 Q CB . 26661 1 1349 . 1 1 117 117 GLN CG C 13 34.111 . . 1 . . . . 247 Q CG . 26661 1 1350 . 1 1 117 117 GLN N N 15 126.002 . . 1 . . . . 247 Q N . 26661 1 1351 . 1 1 118 118 HIS H H 1 9.733 . . 1 . . . . 248 H H . 26661 1 1352 . 1 1 118 118 HIS HA H 1 5.044 . . 1 . . . . 248 H HA . 26661 1 1353 . 1 1 118 118 HIS HB2 H 1 3.720 . . 1 . . . . 248 H HB2 . 26661 1 1354 . 1 1 118 118 HIS HB3 H 1 3.353 . . 1 . . . . 248 H HB3 . 26661 1 1355 . 1 1 118 118 HIS HD2 H 1 7.635 . . 1 . . . . 248 H HD2 . 26661 1 1356 . 1 1 118 118 HIS HE1 H 1 8.769 . . 1 . . . . 248 H HE1 . 26661 1 1357 . 1 1 118 118 HIS C C 13 176.980 . . 1 . . . . 248 H C . 26661 1 1358 . 1 1 118 118 HIS CA C 13 55.658 . . 1 . . . . 248 H CA . 26661 1 1359 . 1 1 118 118 HIS CB C 13 31.001 . . 1 . . . . 248 H CB . 26661 1 1360 . 1 1 118 118 HIS CD2 C 13 120.854 . . 1 . . . . 248 H CD2 . 26661 1 1361 . 1 1 118 118 HIS CE1 C 13 136.598 . . 1 . . . . 248 H CE1 . 26661 1 1362 . 1 1 118 118 HIS N N 15 127.200 . . 1 . . . . 248 H N . 26661 1 1363 . 1 1 119 119 GLY H H 1 9.452 . . 1 . . . . 249 G H . 26661 1 1364 . 1 1 119 119 GLY HA2 H 1 4.199 . . 1 . . . . 249 G HA2 . 26661 1 1365 . 1 1 119 119 GLY HA3 H 1 3.811 . . 1 . . . . 249 G HA3 . 26661 1 1366 . 1 1 119 119 GLY C C 13 174.763 . . 1 . . . . 249 G C . 26661 1 1367 . 1 1 119 119 GLY CA C 13 46.842 . . 1 . . . . 249 G CA . 26661 1 1368 . 1 1 119 119 GLY N N 15 110.109 . . 1 . . . . 249 G N . 26661 1 1369 . 1 1 120 120 GLY H H 1 9.065 . . 1 . . . . 250 G H . 26661 1 1370 . 1 1 120 120 GLY HA2 H 1 4.687 . . 1 . . . . 250 G HA2 . 26661 1 1371 . 1 1 120 120 GLY HA3 H 1 3.999 . . 1 . . . . 250 G HA3 . 26661 1 1372 . 1 1 120 120 GLY CA C 13 44.340 . . 1 . . . . 250 G CA . 26661 1 1373 . 1 1 120 120 GLY N N 15 109.210 . . 1 . . . . 250 G N . 26661 1 1374 . 1 1 121 121 PRO HA H 1 4.212 . . 1 . . . . 251 P HA . 26661 1 1375 . 1 1 121 121 PRO HB2 H 1 2.437 . . 1 . . . . 251 P HB2 . 26661 1 1376 . 1 1 121 121 PRO HB3 H 1 1.815 . . 1 . . . . 251 P HB3 . 26661 1 1377 . 1 1 121 121 PRO HG2 H 1 2.173 . . 2 . . . . 251 P HG# . 26661 1 1378 . 1 1 121 121 PRO HG3 H 1 2.173 . . 2 . . . . 251 P HG# . 26661 1 1379 . 1 1 121 121 PRO HD2 H 1 3.937 . . 2 . . . . 251 P HD# . 26661 1 1380 . 1 1 121 121 PRO HD3 H 1 3.937 . . 2 . . . . 251 P HD# . 26661 1 1381 . 1 1 121 121 PRO C C 13 177.032 . . 1 . . . . 251 P C . 26661 1 1382 . 1 1 121 121 PRO CA C 13 65.126 . . 1 . . . . 251 P CA . 26661 1 1383 . 1 1 121 121 PRO CB C 13 31.996 . . 1 . . . . 251 P CB . 26661 1 1384 . 1 1 121 121 PRO CG C 13 27.526 . . 1 . . . . 251 P CG . 26661 1 1385 . 1 1 121 121 PRO CD C 13 50.242 . . 1 . . . . 251 P CD . 26661 1 1386 . 1 1 122 122 ASN H H 1 8.486 . . 1 . . . . 252 N H . 26661 1 1387 . 1 1 122 122 ASN HA H 1 4.280 . . 1 . . . . 252 N HA . 26661 1 1388 . 1 1 122 122 ASN HB2 H 1 3.730 . . 1 . . . . 252 N HB2 . 26661 1 1389 . 1 1 122 122 ASN HB3 H 1 3.161 . . 1 . . . . 252 N HB3 . 26661 1 1390 . 1 1 122 122 ASN C C 13 176.256 . . 1 . . . . 252 N C . 26661 1 1391 . 1 1 122 122 ASN CA C 13 55.476 . . 1 . . . . 252 N CA . 26661 1 1392 . 1 1 122 122 ASN CB C 13 36.452 . . 1 . . . . 252 N CB . 26661 1 1393 . 1 1 122 122 ASN N N 15 113.223 . . 1 . . . . 252 N N . 26661 1 1394 . 1 1 123 123 GLN H H 1 7.656 . . 1 . . . . 253 Q H . 26661 1 1395 . 1 1 123 123 GLN HA H 1 5.094 . . 1 . . . . 253 Q HA . 26661 1 1396 . 1 1 123 123 GLN HB2 H 1 2.531 . . 1 . . . . 253 Q HB2 . 26661 1 1397 . 1 1 123 123 GLN HB3 H 1 1.929 . . 1 . . . . 253 Q HB3 . 26661 1 1398 . 1 1 123 123 GLN HG2 H 1 1.761 . . 1 . . . . 253 Q HG2 . 26661 1 1399 . 1 1 123 123 GLN HG3 H 1 1.652 . . 1 . . . . 253 Q HG3 . 26661 1 1400 . 1 1 123 123 GLN C C 13 174.485 . . 1 . . . . 253 Q C . 26661 1 1401 . 1 1 123 123 GLN CA C 13 55.102 . . 1 . . . . 253 Q CA . 26661 1 1402 . 1 1 123 123 GLN CB C 13 30.620 . . 1 . . . . 253 Q CB . 26661 1 1403 . 1 1 123 123 GLN CG C 13 35.301 . . 1 . . . . 253 Q CG . 26661 1 1404 . 1 1 123 123 GLN N N 15 119.496 . . 1 . . . . 253 Q N . 26661 1 1405 . 1 1 124 124 LYS H H 1 7.215 . . 1 . . . . 254 K H . 26661 1 1406 . 1 1 124 124 LYS HA H 1 5.278 . . 1 . . . . 254 K HA . 26661 1 1407 . 1 1 124 124 LYS HB2 H 1 1.823 . . 1 . . . . 254 K HB2 . 26661 1 1408 . 1 1 124 124 LYS HB3 H 1 1.715 . . 1 . . . . 254 K HB3 . 26661 1 1409 . 1 1 124 124 LYS HG2 H 1 1.252 . . 2 . . . . 254 K HG# . 26661 1 1410 . 1 1 124 124 LYS HG3 H 1 1.252 . . 2 . . . . 254 K HG# . 26661 1 1411 . 1 1 124 124 LYS HD2 H 1 1.567 . . 2 . . . . 254 K HD# . 26661 1 1412 . 1 1 124 124 LYS HD3 H 1 1.567 . . 2 . . . . 254 K HD# . 26661 1 1413 . 1 1 124 124 LYS HE2 H 1 2.885 . . 2 . . . . 254 K HE# . 26661 1 1414 . 1 1 124 124 LYS HE3 H 1 2.885 . . 2 . . . . 254 K HE# . 26661 1 1415 . 1 1 124 124 LYS C C 13 175.700 . . 1 . . . . 254 K C . 26661 1 1416 . 1 1 124 124 LYS CA C 13 55.447 . . 1 . . . . 254 K CA . 26661 1 1417 . 1 1 124 124 LYS CB C 13 35.325 . . 1 . . . . 254 K CB . 26661 1 1418 . 1 1 124 124 LYS CG C 13 25.466 . . 1 . . . . 254 K CG . 26661 1 1419 . 1 1 124 124 LYS CD C 13 29.324 . . 1 . . . . 254 K CD . 26661 1 1420 . 1 1 124 124 LYS CE C 13 42.235 . . 1 . . . . 254 K CE . 26661 1 1421 . 1 1 124 124 LYS N N 15 119.899 . . 1 . . . . 254 K N . 26661 1 1422 . 1 1 125 125 PHE H H 1 9.306 . . 1 . . . . 255 F H . 26661 1 1423 . 1 1 125 125 PHE HB2 H 1 2.871 . . 1 . . . . 255 F HB2 . 26661 1 1424 . 1 1 125 125 PHE HB3 H 1 2.304 . . 1 . . . . 255 F HB3 . 26661 1 1425 . 1 1 125 125 PHE HD1 H 1 7.058 . . 3 . . . . 255 F HD# . 26661 1 1426 . 1 1 125 125 PHE HD2 H 1 7.058 . . 3 . . . . 255 F HD# . 26661 1 1427 . 1 1 125 125 PHE HE1 H 1 7.142 . . 3 . . . . 255 F HE# . 26661 1 1428 . 1 1 125 125 PHE HE2 H 1 7.142 . . 3 . . . . 255 F HE# . 26661 1 1429 . 1 1 125 125 PHE HZ H 1 6.840 . . 1 . . . . 255 F HZ . 26661 1 1430 . 1 1 125 125 PHE C C 13 173.922 . . 1 . . . . 255 F C . 26661 1 1431 . 1 1 125 125 PHE CA C 13 56.902 . . 1 . . . . 255 F CA . 26661 1 1432 . 1 1 125 125 PHE CB C 13 44.317 . . 1 . . . . 255 F CB . 26661 1 1433 . 1 1 125 125 PHE CD1 C 13 132.466 . . 3 . . . . 255 F CD# . 26661 1 1434 . 1 1 125 125 PHE CD2 C 13 132.466 . . 3 . . . . 255 F CD# . 26661 1 1435 . 1 1 125 125 PHE CE1 C 13 130.527 . . 3 . . . . 255 F CE# . 26661 1 1436 . 1 1 125 125 PHE CE2 C 13 130.527 . . 3 . . . . 255 F CE# . 26661 1 1437 . 1 1 125 125 PHE CZ C 13 127.943 . . 1 . . . . 255 F CZ . 26661 1 1438 . 1 1 125 125 PHE N N 15 122.808 . . 1 . . . . 255 F N . 26661 1 1439 . 1 1 126 126 ILE H H 1 9.825 . . 1 . . . . 256 I H . 26661 1 1440 . 1 1 126 126 ILE HA H 1 4.452 . . 1 . . . . 256 I HA . 26661 1 1441 . 1 1 126 126 ILE HB H 1 1.802 . . 1 . . . . 256 I HB . 26661 1 1442 . 1 1 126 126 ILE HG12 H 1 1.565 . . 1 . . . . 256 I HG12 . 26661 1 1443 . 1 1 126 126 ILE HG13 H 1 1.223 . . 1 . . . . 256 I HG13 . 26661 1 1444 . 1 1 126 126 ILE HG21 H 1 1.010 . . 1 . . . . 256 I HG2 . 26661 1 1445 . 1 1 126 126 ILE HG22 H 1 1.010 . . 1 . . . . 256 I HG2 . 26661 1 1446 . 1 1 126 126 ILE HG23 H 1 1.010 . . 1 . . . . 256 I HG2 . 26661 1 1447 . 1 1 126 126 ILE HD11 H 1 0.929 . . 1 . . . . 256 I HD1 . 26661 1 1448 . 1 1 126 126 ILE HD12 H 1 0.929 . . 1 . . . . 256 I HD1 . 26661 1 1449 . 1 1 126 126 ILE HD13 H 1 0.929 . . 1 . . . . 256 I HD1 . 26661 1 1450 . 1 1 126 126 ILE C C 13 174.591 . . 1 . . . . 256 I C . 26661 1 1451 . 1 1 126 126 ILE CA C 13 59.837 . . 1 . . . . 256 I CA . 26661 1 1452 . 1 1 126 126 ILE CB C 13 42.013 . . 1 . . . . 256 I CB . 26661 1 1453 . 1 1 126 126 ILE CG1 C 13 27.801 . . 1 . . . . 256 I CG1 . 26661 1 1454 . 1 1 126 126 ILE CG2 C 13 18.126 . . 1 . . . . 256 I CG2 . 26661 1 1455 . 1 1 126 126 ILE CD1 C 13 14.384 . . 1 . . . . 256 I CD1 . 26661 1 1456 . 1 1 126 126 ILE N N 15 120.499 . . 1 . . . . 256 I N . 26661 1 1457 . 1 1 127 127 ILE H H 1 8.677 . . 1 . . . . 257 I H . 26661 1 1458 . 1 1 127 127 ILE HA H 1 5.061 . . 1 . . . . 257 I HA . 26661 1 1459 . 1 1 127 127 ILE HB H 1 2.044 . . 1 . . . . 257 I HB . 26661 1 1460 . 1 1 127 127 ILE HG12 H 1 1.625 . . 1 . . . . 257 I HG12 . 26661 1 1461 . 1 1 127 127 ILE HG13 H 1 1.221 . . 1 . . . . 257 I HG13 . 26661 1 1462 . 1 1 127 127 ILE HG21 H 1 0.533 . . 1 . . . . 257 I HG2 . 26661 1 1463 . 1 1 127 127 ILE HG22 H 1 0.533 . . 1 . . . . 257 I HG2 . 26661 1 1464 . 1 1 127 127 ILE HG23 H 1 0.533 . . 1 . . . . 257 I HG2 . 26661 1 1465 . 1 1 127 127 ILE HD11 H 1 0.606 . . 1 . . . . 257 I HD1 . 26661 1 1466 . 1 1 127 127 ILE HD12 H 1 0.606 . . 1 . . . . 257 I HD1 . 26661 1 1467 . 1 1 127 127 ILE HD13 H 1 0.606 . . 1 . . . . 257 I HD1 . 26661 1 1468 . 1 1 127 127 ILE C C 13 176.443 . . 1 . . . . 257 I C . 26661 1 1469 . 1 1 127 127 ILE CA C 13 58.365 . . 1 . . . . 257 I CA . 26661 1 1470 . 1 1 127 127 ILE CB C 13 36.078 . . 1 . . . . 257 I CB . 26661 1 1471 . 1 1 127 127 ILE CG1 C 13 26.859 . . 1 . . . . 257 I CG1 . 26661 1 1472 . 1 1 127 127 ILE CG2 C 13 17.705 . . 1 . . . . 257 I CG2 . 26661 1 1473 . 1 1 127 127 ILE CD1 C 13 11.114 . . 1 . . . . 257 I CD1 . 26661 1 1474 . 1 1 127 127 ILE N N 15 126.351 . . 1 . . . . 257 I N . 26661 1 1475 . 1 1 128 128 GLU H H 1 8.651 . . 1 . . . . 258 E H . 26661 1 1476 . 1 1 128 128 GLU HA H 1 5.040 . . 1 . . . . 258 E HA . 26661 1 1477 . 1 1 128 128 GLU HB2 H 1 2.165 . . 1 . . . . 258 E HB2 . 26661 1 1478 . 1 1 128 128 GLU HB3 H 1 2.067 . . 1 . . . . 258 E HB3 . 26661 1 1479 . 1 1 128 128 GLU HG2 H 1 2.405 . . 2 . . . . 258 E HG# . 26661 1 1480 . 1 1 128 128 GLU HG3 H 1 2.405 . . 2 . . . . 258 E HG# . 26661 1 1481 . 1 1 128 128 GLU C C 13 175.272 . . 1 . . . . 258 E C . 26661 1 1482 . 1 1 128 128 GLU CA C 13 54.334 . . 1 . . . . 258 E CA . 26661 1 1483 . 1 1 128 128 GLU CB C 13 34.243 . . 1 . . . . 258 E CB . 26661 1 1484 . 1 1 128 128 GLU CG C 13 36.418 . . 1 . . . . 258 E CG . 26661 1 1485 . 1 1 128 128 GLU N N 15 128.402 . . 1 . . . . 258 E N . 26661 1 1486 . 1 1 129 129 SER H H 1 9.213 . . 1 . . . . 259 S H . 26661 1 1487 . 1 1 129 129 SER HA H 1 4.701 . . 1 . . . . 259 S HA . 26661 1 1488 . 1 1 129 129 SER HB2 H 1 4.181 . . 2 . . . . 259 S HB# . 26661 1 1489 . 1 1 129 129 SER HB3 H 1 4.181 . . 2 . . . . 259 S HB# . 26661 1 1490 . 1 1 129 129 SER C C 13 174.277 . . 1 . . . . 259 S C . 26661 1 1491 . 1 1 129 129 SER CA C 13 60.320 . . 1 . . . . 259 S CA . 26661 1 1492 . 1 1 129 129 SER CB C 13 64.051 . . 1 . . . . 259 S CB . 26661 1 1493 . 1 1 129 129 SER N N 15 122.002 . . 1 . . . . 259 S N . 26661 1 1494 . 1 1 130 130 GLU H H 1 8.345 . . 1 . . . . 260 E H . 26661 1 1495 . 1 1 130 130 GLU HA H 1 4.279 . . 1 . . . . 260 E HA . 26661 1 1496 . 1 1 130 130 GLU HB2 H 1 2.059 . . 2 . . . . 260 E HB# . 26661 1 1497 . 1 1 130 130 GLU HB3 H 1 2.059 . . 2 . . . . 260 E HB# . 26661 1 1498 . 1 1 130 130 GLU HG2 H 1 2.530 . . 1 . . . . 260 E HG2 . 26661 1 1499 . 1 1 130 130 GLU HG3 H 1 2.355 . . 1 . . . . 260 E HG3 . 26661 1 1500 . 1 1 130 130 GLU CA C 13 60.100 . . 1 . . . . 260 E CA . 26661 1 1501 . 1 1 130 130 GLU CB C 13 30.401 . . 1 . . . . 260 E CB . 26661 1 1502 . 1 1 130 130 GLU N N 15 129.203 . . 1 . . . . 260 E N . 26661 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 26661 _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' . . . 26661 2 2 '2D 1H-13C HSQC aromatic' . . . 26661 2 3 '3D CBCA(CO)NH' . . . 26661 2 4 '3D C(CO)NH' . . . 26661 2 5 '3D HNCO' . . . 26661 2 6 '3D HNCA' . . . 26661 2 7 '3D HNCACB' . . . 26661 2 8 '3D H(CCO)NH' . . . 26661 2 9 '3D HCCH-TOCSY' . . . 26661 2 10 '3D 1H-15N TOCSY' . . . 26661 2 11 '3D 1H-13C NOESY aromatic' . . . 26661 2 12 '3D HCCH-COSY' . . . 26661 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 13 13 LYS H H 1 7.956 . . 1 . . . . 143 K H . 26661 2 2 . 1 1 13 13 LYS HA H 1 4.587 . . 1 . . . . 143 K HA . 26661 2 3 . 1 1 13 13 LYS HB2 H 1 1.950 . . 1 . . . . 143 K HB2 . 26661 2 4 . 1 1 13 13 LYS HB3 H 1 1.855 . . 1 . . . . 143 K HB3 . 26661 2 5 . 1 1 13 13 LYS HG2 H 1 1.454 . . 1 . . . . 143 K HG2 . 26661 2 6 . 1 1 13 13 LYS HG3 H 1 1.306 . . 1 . . . . 143 K HG3 . 26661 2 7 . 1 1 13 13 LYS HD2 H 1 1.613 . . 2 . . . . 143 K HD# . 26661 2 8 . 1 1 13 13 LYS HD3 H 1 1.613 . . 2 . . . . 143 K HD# . 26661 2 9 . 1 1 13 13 LYS HE2 H 1 2.941 . . 2 . . . . 143 K HE# . 26661 2 10 . 1 1 13 13 LYS HE3 H 1 2.941 . . 2 . . . . 143 K HE# . 26661 2 11 . 1 1 13 13 LYS C C 13 174.676 . . 1 . . . . 143 K C . 26661 2 12 . 1 1 13 13 LYS CA C 13 55.702 . . 1 . . . . 143 K CA . 26661 2 13 . 1 1 13 13 LYS CB C 13 34.688 . . 1 . . . . 143 K CB . 26661 2 14 . 1 1 13 13 LYS N N 15 120.403 . . 1 . . . . 143 K N . 26661 2 15 . 1 1 14 14 VAL H H 1 8.899 . . 1 . . . . 144 V H . 26661 2 16 . 1 1 14 14 VAL HA H 1 5.860 . . 1 . . . . 144 V HA . 26661 2 17 . 1 1 14 14 VAL HB H 1 3.229 . . 1 . . . . 144 V HB . 26661 2 18 . 1 1 14 14 VAL HG11 H 1 1.298 . . 1 . . . . 144 V HG1 . 26661 2 19 . 1 1 14 14 VAL HG12 H 1 1.298 . . 1 . . . . 144 V HG1 . 26661 2 20 . 1 1 14 14 VAL HG13 H 1 1.298 . . 1 . . . . 144 V HG1 . 26661 2 21 . 1 1 14 14 VAL HG21 H 1 0.885 . . 1 . . . . 144 V HG2 . 26661 2 22 . 1 1 14 14 VAL HG22 H 1 0.885 . . 1 . . . . 144 V HG2 . 26661 2 23 . 1 1 14 14 VAL HG23 H 1 0.885 . . 1 . . . . 144 V HG2 . 26661 2 24 . 1 1 14 14 VAL CA C 13 58.527 . . 1 . . . . 144 V CA . 26661 2 25 . 1 1 14 14 VAL CB C 13 33.460 . . 1 . . . . 144 V CB . 26661 2 26 . 1 1 14 14 VAL N N 15 109.620 . . 1 . . . . 144 V N . 26661 2 27 . 1 1 16 16 ASP H H 1 9.124 . . 1 . . . . 146 D H . 26661 2 28 . 1 1 16 16 ASP HA H 1 5.342 . . 1 . . . . 146 D HA . 26661 2 29 . 1 1 16 16 ASP HB2 H 1 2.820 . . 1 . . . . 146 D HB2 . 26661 2 30 . 1 1 16 16 ASP HB3 H 1 2.615 . . 1 . . . . 146 D HB3 . 26661 2 31 . 1 1 16 16 ASP C C 13 174.405 . . 1 . . . . 146 D C . 26661 2 32 . 1 1 16 16 ASP CA C 13 53.443 . . 1 . . . . 146 D CA . 26661 2 33 . 1 1 16 16 ASP CB C 13 46.097 . . 1 . . . . 146 D CB . 26661 2 34 . 1 1 16 16 ASP N N 15 125.396 . . 1 . . . . 146 D N . 26661 2 35 . 1 1 17 17 ILE H H 1 8.444 . . 1 . . . . 147 I H . 26661 2 36 . 1 1 17 17 ILE HA H 1 2.871 . . 1 . . . . 147 I HA . 26661 2 37 . 1 1 17 17 ILE HG12 H 1 1.810 . . 1 . . . . 147 I HG1 . 26661 2 38 . 1 1 17 17 ILE HG13 H 1 1.810 . . 1 . . . . 147 I HG1 . 26661 2 39 . 1 1 17 17 ILE HG21 H 1 0.993 . . 1 . . . . 147 I HG2 . 26661 2 40 . 1 1 17 17 ILE HG22 H 1 0.993 . . 1 . . . . 147 I HG2 . 26661 2 41 . 1 1 17 17 ILE HG23 H 1 0.993 . . 1 . . . . 147 I HG2 . 26661 2 42 . 1 1 17 17 ILE HD11 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 2 43 . 1 1 17 17 ILE HD12 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 2 44 . 1 1 17 17 ILE HD13 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 2 45 . 1 1 17 17 ILE C C 13 175.887 . . 1 . . . . 147 I C . 26661 2 46 . 1 1 17 17 ILE CA C 13 63.070 . . 1 . . . . 147 I CA . 26661 2 47 . 1 1 17 17 ILE CB C 13 38.255 . . 1 . . . . 147 I CB . 26661 2 48 . 1 1 17 17 ILE CG2 C 13 18.743 . . 1 . . . . 147 I CG2 . 26661 2 49 . 1 1 17 17 ILE N N 15 123.300 . . 1 . . . . 147 I N . 26661 2 50 . 1 1 29 29 ILE H H 1 9.654 . . 1 . . . . 159 I H . 26661 2 51 . 1 1 29 29 ILE HA H 1 5.461 . . 1 . . . . 159 I HA . 26661 2 52 . 1 1 29 29 ILE HB H 1 2.451 . . 1 . . . . 159 I HB . 26661 2 53 . 1 1 29 29 ILE HG12 H 1 1.337 . . 1 . . . . 159 I HG1 . 26661 2 54 . 1 1 29 29 ILE HG13 H 1 1.337 . . 1 . . . . 159 I HG1 . 26661 2 55 . 1 1 29 29 ILE HG21 H 1 0.999 . . 1 . . . . 159 I HG2 . 26661 2 56 . 1 1 29 29 ILE HG22 H 1 0.999 . . 1 . . . . 159 I HG2 . 26661 2 57 . 1 1 29 29 ILE HG23 H 1 0.999 . . 1 . . . . 159 I HG2 . 26661 2 58 . 1 1 29 29 ILE HD11 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 2 59 . 1 1 29 29 ILE HD12 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 2 60 . 1 1 29 29 ILE HD13 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 2 61 . 1 1 29 29 ILE C C 13 176.724 . . 1 . . . . 159 I C . 26661 2 62 . 1 1 29 29 ILE CA C 13 59.909 . . 1 . . . . 159 I CA . 26661 2 63 . 1 1 29 29 ILE CB C 13 42.583 . . 1 . . . . 159 I CB . 26661 2 64 . 1 1 29 29 ILE N N 15 122.979 . . 1 . . . . 159 I N . 26661 2 65 . 1 1 30 30 THR H H 1 7.929 . . 1 . . . . 160 T H . 26661 2 66 . 1 1 30 30 THR HA H 1 5.684 . . 1 . . . . 160 T HA . 26661 2 67 . 1 1 30 30 THR HB H 1 4.250 . . 1 . . . . 160 T HB . 26661 2 68 . 1 1 30 30 THR HG21 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 2 69 . 1 1 30 30 THR HG22 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 2 70 . 1 1 30 30 THR HG23 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 2 71 . 1 1 30 30 THR C C 13 174.548 . . 1 . . . . 160 T C . 26661 2 72 . 1 1 30 30 THR CA C 13 59.328 . . 1 . . . . 160 T CA . 26661 2 73 . 1 1 30 30 THR CB C 13 70.036 . . 1 . . . . 160 T CB . 26661 2 74 . 1 1 30 30 THR CG2 C 13 22.471 . . 1 . . . . 160 T CG2 . 26661 2 75 . 1 1 30 30 THR N N 15 105.093 . . 1 . . . . 160 T N . 26661 2 76 . 1 1 31 31 TRP H H 1 9.358 . . 1 . . . . 161 W H . 26661 2 77 . 1 1 31 31 TRP HA H 1 4.941 . . 1 . . . . 161 W HA . 26661 2 78 . 1 1 31 31 TRP HD1 H 1 7.799 . . 1 . . . . 161 W HD1 . 26661 2 79 . 1 1 31 31 TRP HE1 H 1 10.197 . . 1 . . . . 161 W HE1 . 26661 2 80 . 1 1 31 31 TRP HZ2 H 1 7.664 . . 1 . . . . 161 W HZ2 . 26661 2 81 . 1 1 31 31 TRP HZ3 H 1 7.112 . . 1 . . . . 161 W HZ3 . 26661 2 82 . 1 1 31 31 TRP HH2 H 1 7.389 . . 1 . . . . 161 W HH2 . 26661 2 83 . 1 1 31 31 TRP C C 13 173.103 . . 1 . . . . 161 W C . 26661 2 84 . 1 1 31 31 TRP CA C 13 55.264 . . 1 . . . . 161 W CA . 26661 2 85 . 1 1 31 31 TRP CB C 13 35.605 . . 1 . . . . 161 W CB . 26661 2 86 . 1 1 31 31 TRP CD1 C 13 128.912 . . 1 . . . . 161 W CD1 . 26661 2 87 . 1 1 31 31 TRP CZ2 C 13 114.085 . . 1 . . . . 161 W CZ2 . 26661 2 88 . 1 1 31 31 TRP CZ3 C 13 121.358 . . 1 . . . . 161 W CZ3 . 26661 2 89 . 1 1 31 31 TRP CH2 C 13 125.020 . . 1 . . . . 161 W CH2 . 26661 2 90 . 1 1 31 31 TRP N N 15 124.104 . . 1 . . . . 161 W N . 26661 2 91 . 1 1 31 31 TRP NE1 N 15 131.212 . . 1 . . . . 161 W NE1 . 26661 2 92 . 1 1 32 32 ASP H H 1 6.630 . . 1 . . . . 162 D H . 26661 2 93 . 1 1 32 32 ASP HA H 1 4.454 . . 1 . . . . 162 D HA . 26661 2 94 . 1 1 32 32 ASP HB2 H 1 2.569 . . 1 . . . . 162 D HB2 . 26661 2 95 . 1 1 32 32 ASP HB3 H 1 2.082 . . 1 . . . . 162 D HB3 . 26661 2 96 . 1 1 32 32 ASP CA C 13 55.977 . . 1 . . . . 162 D CA . 26661 2 97 . 1 1 32 32 ASP CB C 13 41.289 . . 1 . . . . 162 D CB . 26661 2 98 . 1 1 32 32 ASP N N 15 125.475 . . 1 . . . . 162 D N . 26661 2 99 . 1 1 33 33 GLN C C 13 175.971 . . 1 . . . . 163 Q C . 26661 2 100 . 1 1 34 34 LYS H H 1 10.595 . . 1 . . . . 164 K H . 26661 2 101 . 1 1 34 34 LYS HA H 1 4.757 . . 1 . . . . 164 K HA . 26661 2 102 . 1 1 34 34 LYS HB2 H 1 1.754 . . 2 . . . . 164 K HB# . 26661 2 103 . 1 1 34 34 LYS HB3 H 1 1.754 . . 2 . . . . 164 K HB# . 26661 2 104 . 1 1 34 34 LYS HG2 H 1 1.516 . . 2 . . . . 164 K HG# . 26661 2 105 . 1 1 34 34 LYS HG3 H 1 1.516 . . 2 . . . . 164 K HG# . 26661 2 106 . 1 1 34 34 LYS HD2 H 1 1.658 . . 2 . . . . 164 K HD# . 26661 2 107 . 1 1 34 34 LYS HD3 H 1 1.658 . . 2 . . . . 164 K HD# . 26661 2 108 . 1 1 34 34 LYS C C 13 175.426 . . 1 . . . . 164 K C . 26661 2 109 . 1 1 34 34 LYS CA C 13 55.624 . . 1 . . . . 164 K CA . 26661 2 110 . 1 1 34 34 LYS CB C 13 34.527 . . 1 . . . . 164 K CB . 26661 2 111 . 1 1 34 34 LYS CE C 13 41.230 . . 1 . . . . 164 K CE . 26661 2 112 . 1 1 34 34 LYS N N 15 132.087 . . 1 . . . . 164 K N . 26661 2 113 . 1 1 108 108 ALA C C 13 177.390 . . 1 . . . . 238 A C . 26661 2 114 . 1 1 109 109 SER H H 1 8.765 . . 1 . . . . 239 S H . 26661 2 115 . 1 1 109 109 SER HA H 1 4.733 . . 1 . . . . 239 S HA . 26661 2 116 . 1 1 109 109 SER HB2 H 1 4.512 . . 1 . . . . 239 S HB2 . 26661 2 117 . 1 1 109 109 SER HB3 H 1 4.122 . . 1 . . . . 239 S HB3 . 26661 2 118 . 1 1 109 109 SER C C 13 174.368 . . 1 . . . . 239 S C . 26661 2 119 . 1 1 109 109 SER CA C 13 59.397 . . 1 . . . . 239 S CA . 26661 2 120 . 1 1 109 109 SER CB C 13 63.582 . . 1 . . . . 239 S CB . 26661 2 121 . 1 1 109 109 SER N N 15 117.079 . . 1 . . . . 239 S N . 26661 2 122 . 1 1 110 110 ALA H H 1 9.089 . . 1 . . . . 240 A H . 26661 2 123 . 1 1 110 110 ALA HA H 1 4.510 . . 1 . . . . 240 A HA . 26661 2 124 . 1 1 110 110 ALA HB1 H 1 1.582 . . 1 . . . . 240 A HB . 26661 2 125 . 1 1 110 110 ALA HB2 H 1 1.582 . . 1 . . . . 240 A HB . 26661 2 126 . 1 1 110 110 ALA HB3 H 1 1.582 . . 1 . . . . 240 A HB . 26661 2 127 . 1 1 110 110 ALA C C 13 176.219 . . 1 . . . . 240 A C . 26661 2 128 . 1 1 110 110 ALA CA C 13 53.237 . . 1 . . . . 240 A CA . 26661 2 129 . 1 1 110 110 ALA CB C 13 19.507 . . 1 . . . . 240 A CB . 26661 2 130 . 1 1 110 110 ALA N N 15 128.505 . . 1 . . . . 240 A N . 26661 2 131 . 1 1 111 111 HIS H H 1 8.263 . . 1 . . . . 241 H H . 26661 2 132 . 1 1 111 111 HIS HA H 1 5.396 . . 1 . . . . 241 H HA . 26661 2 133 . 1 1 111 111 HIS HB2 H 1 3.574 . . 1 . . . . 241 H HB2 . 26661 2 134 . 1 1 111 111 HIS HB3 H 1 3.380 . . 1 . . . . 241 H HB3 . 26661 2 135 . 1 1 111 111 HIS HD2 H 1 7.361 . . 1 . . . . 241 H HD2 . 26661 2 136 . 1 1 111 111 HIS HE1 H 1 8.672 . . 1 . . . . 241 H HE1 . 26661 2 137 . 1 1 111 111 HIS C C 13 172.115 . . 1 . . . . 241 H C . 26661 2 138 . 1 1 111 111 HIS CA C 13 54.253 . . 1 . . . . 241 H CA . 26661 2 139 . 1 1 111 111 HIS CB C 13 31.322 . . 1 . . . . 241 H CB . 26661 2 140 . 1 1 111 111 HIS CD2 C 13 119.542 . . 1 . . . . 241 H CD2 . 26661 2 141 . 1 1 111 111 HIS CE1 C 13 136.781 . . 1 . . . . 241 H CE1 . 26661 2 142 . 1 1 111 111 HIS N N 15 114.644 . . 1 . . . . 241 H N . 26661 2 143 . 1 1 112 112 ILE H H 1 8.276 . . 1 . . . . 242 I H . 26661 2 144 . 1 1 112 112 ILE HA H 1 5.494 . . 1 . . . . 242 I HA . 26661 2 145 . 1 1 112 112 ILE HB H 1 1.866 . . 1 . . . . 242 I HB . 26661 2 146 . 1 1 112 112 ILE HG12 H 1 1.416 . . 2 . . . . 242 I HG1# . 26661 2 147 . 1 1 112 112 ILE HG13 H 1 1.416 . . 2 . . . . 242 I HG1# . 26661 2 148 . 1 1 112 112 ILE HG21 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 2 149 . 1 1 112 112 ILE HG22 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 2 150 . 1 1 112 112 ILE HG23 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 2 151 . 1 1 112 112 ILE HD11 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 2 152 . 1 1 112 112 ILE HD12 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 2 153 . 1 1 112 112 ILE HD13 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 2 154 . 1 1 112 112 ILE C C 13 175.100 . . 1 . . . . 242 I C . 26661 2 155 . 1 1 112 112 ILE CA C 13 58.893 . . 1 . . . . 242 I CA . 26661 2 156 . 1 1 112 112 ILE CB C 13 39.761 . . 1 . . . . 242 I CB . 26661 2 157 . 1 1 112 112 ILE N N 15 119.233 . . 1 . . . . 242 I N . 26661 2 158 . 1 1 129 129 SER C C 13 174.196 . . 1 . . . . 259 S C . 26661 2 159 . 1 1 130 130 GLU H H 1 8.291 . . 1 . . . . 260 E H . 26661 2 160 . 1 1 130 130 GLU HA H 1 4.275 . . 1 . . . . 260 E HA . 26661 2 161 . 1 1 130 130 GLU CA C 13 60.109 . . 1 . . . . 260 E CA . 26661 2 162 . 1 1 130 130 GLU CB C 13 30.440 . . 1 . . . . 260 E CB . 26661 2 163 . 1 1 130 130 GLU N N 15 129.500 . . 1 . . . . 260 E N . 26661 2 stop_ save_