data_28105 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28105 _Entry.Title ; Backbone and ILV methyl chemical shift assignments of REC2 domain from SpyCas9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-23 _Entry.Accession_date 2020-03-23 _Entry.Last_release_date 2020-03-24 _Entry.Original_release_date 2020-03-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Viviane 'De Paula' . S . . 28105 2 Nikolaos Sgourakis . G. . . 28105 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28105 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 28105 '15N chemical shifts' 126 28105 '1H chemical shifts' 315 28105 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-07-16 2020-03-24 update BMRB 'update entry citation' 28105 1 . . 2020-12-02 2020-03-24 original author 'original release' 28105 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28105 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33514730 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone-independent NMR resonance assignments of methyl probes in large proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 691 _Citation.Page_last 691 _Citation.Year 2021 _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 Santrupti Nerli S. . . . 28105 1 2 Viviane 'De Paula' V. S. . . 28105 1 3 Andrew McShan A. C. . . 28105 1 4 Nikolaos Sgourakis N. G. . . 28105 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28105 _Assembly.ID 1 _Assembly.Name 'REC2 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 REC2 1 $REC2_domain A . yes native no no . . . 28105 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4cmp . . . . . . 28105 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_REC2_domain _Entity.Sf_category entity _Entity.Sf_framecode REC2_domain _Entity.Entry_ID 28105 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name REC2_domain _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 ; HFLIEGDLNPDNSDVDKLFI QLVQTYNQLFEENPINASGV DAKAILSARLSKSRRLENLI AQLPGEKKNGLFGNLIALSL GLTPNFKSNFDLAEDAKLQL SKDTYDDDLDNLLAQIGDQY ADLFLAAKNLSDAILLSDIL R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 167-307 _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 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 'The first residue with number 1 is in reality the 167th residue.' _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 1 167 HIS . 28105 1 2 168 PHE . 28105 1 3 169 LEU . 28105 1 4 170 ILE . 28105 1 5 171 GLU . 28105 1 6 172 GLY . 28105 1 7 173 ASP . 28105 1 8 174 LEU . 28105 1 9 175 ASN . 28105 1 10 176 PRO . 28105 1 11 177 ASP . 28105 1 12 178 ASN . 28105 1 13 179 SER . 28105 1 14 180 ASP . 28105 1 15 181 VAL . 28105 1 16 182 ASP . 28105 1 17 183 LYS . 28105 1 18 184 LEU . 28105 1 19 185 PHE . 28105 1 20 186 ILE . 28105 1 21 187 GLN . 28105 1 22 188 LEU . 28105 1 23 189 VAL . 28105 1 24 190 GLN . 28105 1 25 191 THR . 28105 1 26 192 TYR . 28105 1 27 193 ASN . 28105 1 28 194 GLN . 28105 1 29 195 LEU . 28105 1 30 196 PHE . 28105 1 31 197 GLU . 28105 1 32 198 GLU . 28105 1 33 199 ASN . 28105 1 34 200 PRO . 28105 1 35 201 ILE . 28105 1 36 202 ASN . 28105 1 37 203 ALA . 28105 1 38 204 SER . 28105 1 39 205 GLY . 28105 1 40 206 VAL . 28105 1 41 207 ASP . 28105 1 42 208 ALA . 28105 1 43 209 LYS . 28105 1 44 210 ALA . 28105 1 45 211 ILE . 28105 1 46 212 LEU . 28105 1 47 213 SER . 28105 1 48 214 ALA . 28105 1 49 215 ARG . 28105 1 50 216 LEU . 28105 1 51 217 SER . 28105 1 52 218 LYS . 28105 1 53 219 SER . 28105 1 54 220 ARG . 28105 1 55 221 ARG . 28105 1 56 222 LEU . 28105 1 57 223 GLU . 28105 1 58 224 ASN . 28105 1 59 225 LEU . 28105 1 60 226 ILE . 28105 1 61 227 ALA . 28105 1 62 228 GLN . 28105 1 63 229 LEU . 28105 1 64 230 PRO . 28105 1 65 231 GLY . 28105 1 66 232 GLU . 28105 1 67 233 LYS . 28105 1 68 234 LYS . 28105 1 69 235 ASN . 28105 1 70 236 GLY . 28105 1 71 237 LEU . 28105 1 72 238 PHE . 28105 1 73 239 GLY . 28105 1 74 240 ASN . 28105 1 75 241 LEU . 28105 1 76 242 ILE . 28105 1 77 243 ALA . 28105 1 78 244 LEU . 28105 1 79 245 SER . 28105 1 80 246 LEU . 28105 1 81 247 GLY . 28105 1 82 248 LEU . 28105 1 83 249 THR . 28105 1 84 250 PRO . 28105 1 85 251 ASN . 28105 1 86 252 PHE . 28105 1 87 253 LYS . 28105 1 88 254 SER . 28105 1 89 255 ASN . 28105 1 90 256 PHE . 28105 1 91 257 ASP . 28105 1 92 258 LEU . 28105 1 93 259 ALA . 28105 1 94 260 GLU . 28105 1 95 261 ASP . 28105 1 96 262 ALA . 28105 1 97 263 LYS . 28105 1 98 264 LEU . 28105 1 99 265 GLN . 28105 1 100 266 LEU . 28105 1 101 267 SER . 28105 1 102 268 LYS . 28105 1 103 269 ASP . 28105 1 104 270 THR . 28105 1 105 271 TYR . 28105 1 106 272 ASP . 28105 1 107 273 ASP . 28105 1 108 274 ASP . 28105 1 109 275 LEU . 28105 1 110 276 ASP . 28105 1 111 277 ASN . 28105 1 112 278 LEU . 28105 1 113 279 LEU . 28105 1 114 280 ALA . 28105 1 115 281 GLN . 28105 1 116 282 ILE . 28105 1 117 283 GLY . 28105 1 118 284 ASP . 28105 1 119 285 GLN . 28105 1 120 286 TYR . 28105 1 121 287 ALA . 28105 1 122 288 ASP . 28105 1 123 289 LEU . 28105 1 124 290 PHE . 28105 1 125 291 LEU . 28105 1 126 292 ALA . 28105 1 127 293 ALA . 28105 1 128 294 LYS . 28105 1 129 295 ASN . 28105 1 130 296 LEU . 28105 1 131 297 SER . 28105 1 132 298 ASP . 28105 1 133 299 ALA . 28105 1 134 300 ILE . 28105 1 135 301 LEU . 28105 1 136 302 LEU . 28105 1 137 303 SER . 28105 1 138 304 ASP . 28105 1 139 305 ILE . 28105 1 140 306 LEU . 28105 1 141 307 ARG . 28105 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 . HIS 1 1 28105 1 . PHE 2 2 28105 1 . LEU 3 3 28105 1 . ILE 4 4 28105 1 . GLU 5 5 28105 1 . GLY 6 6 28105 1 . ASP 7 7 28105 1 . LEU 8 8 28105 1 . ASN 9 9 28105 1 . PRO 10 10 28105 1 . ASP 11 11 28105 1 . ASN 12 12 28105 1 . SER 13 13 28105 1 . ASP 14 14 28105 1 . VAL 15 15 28105 1 . ASP 16 16 28105 1 . LYS 17 17 28105 1 . LEU 18 18 28105 1 . PHE 19 19 28105 1 . ILE 20 20 28105 1 . GLN 21 21 28105 1 . LEU 22 22 28105 1 . VAL 23 23 28105 1 . GLN 24 24 28105 1 . THR 25 25 28105 1 . TYR 26 26 28105 1 . ASN 27 27 28105 1 . GLN 28 28 28105 1 . LEU 29 29 28105 1 . PHE 30 30 28105 1 . GLU 31 31 28105 1 . GLU 32 32 28105 1 . ASN 33 33 28105 1 . PRO 34 34 28105 1 . ILE 35 35 28105 1 . ASN 36 36 28105 1 . ALA 37 37 28105 1 . SER 38 38 28105 1 . GLY 39 39 28105 1 . VAL 40 40 28105 1 . ASP 41 41 28105 1 . ALA 42 42 28105 1 . LYS 43 43 28105 1 . ALA 44 44 28105 1 . ILE 45 45 28105 1 . LEU 46 46 28105 1 . SER 47 47 28105 1 . ALA 48 48 28105 1 . ARG 49 49 28105 1 . LEU 50 50 28105 1 . SER 51 51 28105 1 . LYS 52 52 28105 1 . SER 53 53 28105 1 . ARG 54 54 28105 1 . ARG 55 55 28105 1 . LEU 56 56 28105 1 . GLU 57 57 28105 1 . ASN 58 58 28105 1 . LEU 59 59 28105 1 . ILE 60 60 28105 1 . ALA 61 61 28105 1 . GLN 62 62 28105 1 . LEU 63 63 28105 1 . PRO 64 64 28105 1 . GLY 65 65 28105 1 . GLU 66 66 28105 1 . LYS 67 67 28105 1 . LYS 68 68 28105 1 . ASN 69 69 28105 1 . GLY 70 70 28105 1 . LEU 71 71 28105 1 . PHE 72 72 28105 1 . GLY 73 73 28105 1 . ASN 74 74 28105 1 . LEU 75 75 28105 1 . ILE 76 76 28105 1 . ALA 77 77 28105 1 . LEU 78 78 28105 1 . SER 79 79 28105 1 . LEU 80 80 28105 1 . GLY 81 81 28105 1 . LEU 82 82 28105 1 . THR 83 83 28105 1 . PRO 84 84 28105 1 . ASN 85 85 28105 1 . PHE 86 86 28105 1 . LYS 87 87 28105 1 . SER 88 88 28105 1 . ASN 89 89 28105 1 . PHE 90 90 28105 1 . ASP 91 91 28105 1 . LEU 92 92 28105 1 . ALA 93 93 28105 1 . GLU 94 94 28105 1 . ASP 95 95 28105 1 . ALA 96 96 28105 1 . LYS 97 97 28105 1 . LEU 98 98 28105 1 . GLN 99 99 28105 1 . LEU 100 100 28105 1 . SER 101 101 28105 1 . LYS 102 102 28105 1 . ASP 103 103 28105 1 . THR 104 104 28105 1 . TYR 105 105 28105 1 . ASP 106 106 28105 1 . ASP 107 107 28105 1 . ASP 108 108 28105 1 . LEU 109 109 28105 1 . ASP 110 110 28105 1 . ASN 111 111 28105 1 . LEU 112 112 28105 1 . LEU 113 113 28105 1 . ALA 114 114 28105 1 . GLN 115 115 28105 1 . ILE 116 116 28105 1 . GLY 117 117 28105 1 . ASP 118 118 28105 1 . GLN 119 119 28105 1 . TYR 120 120 28105 1 . ALA 121 121 28105 1 . ASP 122 122 28105 1 . LEU 123 123 28105 1 . PHE 124 124 28105 1 . LEU 125 125 28105 1 . ALA 126 126 28105 1 . ALA 127 127 28105 1 . LYS 128 128 28105 1 . ASN 129 129 28105 1 . LEU 130 130 28105 1 . SER 131 131 28105 1 . ASP 132 132 28105 1 . ALA 133 133 28105 1 . ILE 134 134 28105 1 . LEU 135 135 28105 1 . LEU 136 136 28105 1 . SER 137 137 28105 1 . ASP 138 138 28105 1 . ILE 139 139 28105 1 . LEU 140 140 28105 1 . ARG 141 141 28105 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 28105 _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 $REC2_domain . 1314 organism . 'Streptococcus pyogenes' 'Streptococcus pyogenes' . . Bacteria . Streptococcus pyogenes . . . . . . . . . . . . . 28105 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 28105 _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 $REC2_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 28105 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28105 _Sample.ID 1 _Sample.Name . _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 'REC2 domain' '[U-100% 13C; U-100% 15N; ILV-methyl]' . . 1 $REC2_domain . . 0.3 . . mM . . . . 28105 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28105 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28105 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28105 _Sample.ID 2 _Sample.Name . _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 'REC2 domain' '[U-13C; U-15N; U-2H; ILV-methyl]' . . 1 $REC2_domain . . 0.5 . . mM . . . . 28105 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28105 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28105 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 28105 _Sample.ID 3 _Sample.Name . _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 'REC2 domain' '[U-13C; U-15N; U-2H; IL(CD2)V(CG2)-methyl]' . . 1 $REC2_domain . . 0.5 . . mM . . . . 28105 3 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28105 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28105 3 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 28105 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 28105 1 pH 7.0 . pH 28105 1 pressure 1 . atm 28105 1 temperature 298 . K 28105 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28105 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28105 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28105 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 28105 _Software.ID 2 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28105 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28105 2 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 28105 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _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 28105 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 28105 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 28105 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 4 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 5 '2D 1H-13C SOFAST HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 6 '2D 1H-15N SOFAST HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 7 '3D Cm-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 8 '3D Hn-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 9 '3D N-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 1 10 '2D 1H-13C SOFAST HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28105 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 28105 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 internal direct 1 . . . . . 28105 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 0.2514 . . . . . 28105 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.1013 . . . . . 28105 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 28105 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 TROSY' . . . 28105 1 2 '3D HNCA' . . . 28105 1 3 '3D HNCO' . . . 28105 1 4 '3D HN(COCA)CB' . . . 28105 1 5 '2D 1H-13C SOFAST HMQC' . . . 28105 1 6 '2D 1H-15N SOFAST HMQC' . . . 28105 1 7 '3D Cm-CmHm SOFAST NOESY HMQC' . . . 28105 1 8 '3D Hn-CmHm SOFAST NOESY HMQC' . . . 28105 1 9 '3D N-CmHm SOFAST NOESY HMQC' . . . 28105 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PHE H H 1 8.045 0.000 . 1 . . . . . 168 PHE H . 28105 1 2 . 1 . 1 2 2 PHE C C 13 175.109 0.000 . 1 . . . . . 168 PHE C . 28105 1 3 . 1 . 1 2 2 PHE CA C 13 56.089 0.000 . 1 . . . . . 168 PHE CA . 28105 1 4 . 1 . 1 2 2 PHE CB C 13 38.151 0.000 . 1 . . . . . 168 PHE CB . 28105 1 5 . 1 . 1 2 2 PHE N N 15 121.601 0.000 . 1 . . . . . 168 PHE N . 28105 1 6 . 1 . 1 3 3 LEU H H 1 8.107 0.000 . 1 . . . . . 169 LEU H . 28105 1 7 . 1 . 1 3 3 LEU C C 13 176.663 0.000 . 1 . . . . . 169 LEU C . 28105 1 8 . 1 . 1 3 3 LEU CA C 13 53.597 0.000 . 1 . . . . . 169 LEU CA . 28105 1 9 . 1 . 1 3 3 LEU CB C 13 40.821 0.000 . 1 . . . . . 169 LEU CB . 28105 1 10 . 1 . 1 3 3 LEU N N 15 124.185 0.000 . 1 . . . . . 169 LEU N . 28105 1 11 . 1 . 1 4 4 ILE H H 1 8.089 0.000 . 1 . . . . . 170 ILE H . 28105 1 12 . 1 . 1 4 4 ILE HD11 H 1 0.885 0.000 . 1 . . . . . 170 ILE HD11 . 28105 1 13 . 1 . 1 4 4 ILE HD12 H 1 0.885 0.000 . 1 . . . . . 170 ILE HD12 . 28105 1 14 . 1 . 1 4 4 ILE HD13 H 1 0.885 0.000 . 1 . . . . . 170 ILE HD13 . 28105 1 15 . 1 . 1 4 4 ILE C C 13 176.091 0.000 . 1 . . . . . 170 ILE C . 28105 1 16 . 1 . 1 4 4 ILE CA C 13 59.383 0.000 . 1 . . . . . 170 ILE CA . 28105 1 17 . 1 . 1 4 4 ILE CB C 13 37.150 0.000 . 1 . . . . . 170 ILE CB . 28105 1 18 . 1 . 1 4 4 ILE CD1 C 13 12.784 0.000 . 1 . . . . . 170 ILE CD1 . 28105 1 19 . 1 . 1 4 4 ILE N N 15 122.612 0.000 . 1 . . . . . 170 ILE N . 28105 1 20 . 1 . 1 5 5 GLU H H 1 8.410 0.000 . 1 . . . . . 171 GLU H . 28105 1 21 . 1 . 1 5 5 GLU C C 13 176.765 0.000 . 1 . . . . . 171 GLU C . 28105 1 22 . 1 . 1 5 5 GLU CA C 13 55.361 0.000 . 1 . . . . . 171 GLU CA . 28105 1 23 . 1 . 1 5 5 GLU CB C 13 28.873 0.000 . 1 . . . . . 171 GLU CB . 28105 1 24 . 1 . 1 5 5 GLU N N 15 125.456 0.000 . 1 . . . . . 171 GLU N . 28105 1 25 . 1 . 1 6 6 GLY H H 1 8.278 0.000 . 1 . . . . . 172 GLY H . 28105 1 26 . 1 . 1 6 6 GLY C C 13 173.672 0.000 . 1 . . . . . 172 GLY C . 28105 1 27 . 1 . 1 6 6 GLY CA C 13 43.740 0.000 . 1 . . . . . 172 GLY CA . 28105 1 28 . 1 . 1 6 6 GLY N N 15 110.499 0.000 . 1 . . . . . 172 GLY N . 28105 1 29 . 1 . 1 7 7 ASP H H 1 8.129 0.000 . 1 . . . . . 173 ASP H . 28105 1 30 . 1 . 1 7 7 ASP C C 13 176.076 0.000 . 1 . . . . . 173 ASP C . 28105 1 31 . 1 . 1 7 7 ASP CA C 13 52.860 0.000 . 1 . . . . . 173 ASP CA . 28105 1 32 . 1 . 1 7 7 ASP CB C 13 40.020 0.000 . 1 . . . . . 173 ASP CB . 28105 1 33 . 1 . 1 7 7 ASP N N 15 120.767 0.000 . 1 . . . . . 173 ASP N . 28105 1 34 . 1 . 1 8 8 LEU H H 1 8.058 0.000 . 1 . . . . . 174 LEU H . 28105 1 35 . 1 . 1 8 8 LEU HD11 H 1 0.929 0.000 . 1 . . . . . 174 LEU HD11 . 28105 1 36 . 1 . 1 8 8 LEU HD12 H 1 0.929 0.000 . 1 . . . . . 174 LEU HD12 . 28105 1 37 . 1 . 1 8 8 LEU HD13 H 1 0.929 0.000 . 1 . . . . . 174 LEU HD13 . 28105 1 38 . 1 . 1 8 8 LEU HD21 H 1 0.870 0.000 . 1 . . . . . 174 LEU HD21 . 28105 1 39 . 1 . 1 8 8 LEU HD22 H 1 0.870 0.000 . 1 . . . . . 174 LEU HD22 . 28105 1 40 . 1 . 1 8 8 LEU HD23 H 1 0.870 0.000 . 1 . . . . . 174 LEU HD23 . 28105 1 41 . 1 . 1 8 8 LEU C C 13 176.721 0.000 . 1 . . . . . 174 LEU C . 28105 1 42 . 1 . 1 8 8 LEU CA C 13 53.556 0.000 . 1 . . . . . 174 LEU CA . 28105 1 43 . 1 . 1 8 8 LEU CB C 13 40.688 0.000 . 1 . . . . . 174 LEU CB . 28105 1 44 . 1 . 1 8 8 LEU CD1 C 13 25.015 0.000 . 1 . . . . . 174 LEU CD1 . 28105 1 45 . 1 . 1 8 8 LEU CD2 C 13 23.554 0.000 . 1 . . . . . 174 LEU CD2 . 28105 1 46 . 1 . 1 8 8 LEU N N 15 122.476 0.000 . 1 . . . . . 174 LEU N . 28105 1 47 . 1 . 1 9 9 ASN H H 1 8.397 0.000 . 1 . . . . . 175 ASN H . 28105 1 48 . 1 . 1 9 9 ASN CA C 13 49.693 0.000 . 1 . . . . . 175 ASN CA . 28105 1 49 . 1 . 1 9 9 ASN CB C 13 37.751 0.000 . 1 . . . . . 175 ASN CB . 28105 1 50 . 1 . 1 9 9 ASN N N 15 121.231 0.000 . 1 . . . . . 175 ASN N . 28105 1 51 . 1 . 1 11 11 ASP H H 1 8.212 0.000 . 1 . . . . . 177 ASP H . 28105 1 52 . 1 . 1 11 11 ASP C C 13 176.531 0.000 . 1 . . . . . 177 ASP C . 28105 1 53 . 1 . 1 11 11 ASP CA C 13 53.493 0.000 . 1 . . . . . 177 ASP CA . 28105 1 54 . 1 . 1 11 11 ASP CB C 13 39.486 0.000 . 1 . . . . . 177 ASP CB . 28105 1 55 . 1 . 1 11 11 ASP N N 15 119.536 0.000 . 1 . . . . . 177 ASP N . 28105 1 56 . 1 . 1 12 12 ASN H H 1 8.036 0.000 . 1 . . . . . 178 ASN H . 28105 1 57 . 1 . 1 12 12 ASN C C 13 174.757 0.000 . 1 . . . . . 178 ASN C . 28105 1 58 . 1 . 1 12 12 ASN CA C 13 51.941 0.000 . 1 . . . . . 178 ASN CA . 28105 1 59 . 1 . 1 12 12 ASN CB C 13 37.350 0.000 . 1 . . . . . 178 ASN CB . 28105 1 60 . 1 . 1 12 12 ASN N N 15 119.208 0.000 . 1 . . . . . 178 ASN N . 28105 1 61 . 1 . 1 13 13 SER H H 1 7.993 0.000 . 1 . . . . . 179 SER H . 28105 1 62 . 1 . 1 13 13 SER C C 13 173.965 0.000 . 1 . . . . . 179 SER C . 28105 1 63 . 1 . 1 13 13 SER CA C 13 56.665 0.000 . 1 . . . . . 179 SER CA . 28105 1 64 . 1 . 1 13 13 SER CB C 13 62.916 0.000 . 1 . . . . . 179 SER CB . 28105 1 65 . 1 . 1 13 13 SER N N 15 113.911 0.000 . 1 . . . . . 179 SER N . 28105 1 66 . 1 . 1 14 14 ASP H H 1 7.975 0.000 . 1 . . . . . 180 ASP H . 28105 1 67 . 1 . 1 14 14 ASP C C 13 175.871 0.000 . 1 . . . . . 180 ASP C . 28105 1 68 . 1 . 1 14 14 ASP CA C 13 52.814 0.000 . 1 . . . . . 180 ASP CA . 28105 1 69 . 1 . 1 14 14 ASP CB C 13 40.287 0.000 . 1 . . . . . 180 ASP CB . 28105 1 70 . 1 . 1 14 14 ASP N N 15 123.515 0.000 . 1 . . . . . 180 ASP N . 28105 1 71 . 1 . 1 15 15 VAL H H 1 8.481 0.000 . 1 . . . . . 181 VAL H . 28105 1 72 . 1 . 1 15 15 VAL HG11 H 1 0.782 0.000 . 1 . . . . . 181 VAL HG11 . 28105 1 73 . 1 . 1 15 15 VAL HG12 H 1 0.782 0.000 . 1 . . . . . 181 VAL HG12 . 28105 1 74 . 1 . 1 15 15 VAL HG13 H 1 0.782 0.000 . 1 . . . . . 181 VAL HG13 . 28105 1 75 . 1 . 1 15 15 VAL HG21 H 1 0.971 0.000 . 1 . . . . . 181 VAL HG21 . 28105 1 76 . 1 . 1 15 15 VAL HG22 H 1 0.971 0.000 . 1 . . . . . 181 VAL HG22 . 28105 1 77 . 1 . 1 15 15 VAL HG23 H 1 0.971 0.000 . 1 . . . . . 181 VAL HG23 . 28105 1 78 . 1 . 1 15 15 VAL C C 13 176.897 0.000 . 1 . . . . . 181 VAL C . 28105 1 79 . 1 . 1 15 15 VAL CA C 13 65.589 0.000 . 1 . . . . . 181 VAL CA . 28105 1 80 . 1 . 1 15 15 VAL CB C 13 31.142 0.000 . 1 . . . . . 181 VAL CB . 28105 1 81 . 1 . 1 15 15 VAL CG1 C 13 21.511 0.000 . 1 . . . . . 181 VAL CG1 . 28105 1 82 . 1 . 1 15 15 VAL CG2 C 13 23.554 0.000 . 1 . . . . . 181 VAL CG2 . 28105 1 83 . 1 . 1 15 15 VAL N N 15 123.747 0.000 . 1 . . . . . 181 VAL N . 28105 1 84 . 1 . 1 16 16 ASP H H 1 7.909 0.000 . 1 . . . . . 182 ASP H . 28105 1 85 . 1 . 1 16 16 ASP C C 13 178.407 0.000 . 1 . . . . . 182 ASP C . 28105 1 86 . 1 . 1 16 16 ASP CA C 13 56.946 0.000 . 1 . . . . . 182 ASP CA . 28105 1 87 . 1 . 1 16 16 ASP CB C 13 39.627 0.000 . 1 . . . . . 182 ASP CB . 28105 1 88 . 1 . 1 16 16 ASP N N 15 117.499 0.000 . 1 . . . . . 182 ASP N . 28105 1 89 . 1 . 1 17 17 LYS H H 1 7.851 0.000 . 1 . . . . . 183 LYS H . 28105 1 90 . 1 . 1 17 17 LYS C C 13 179.874 0.000 . 1 . . . . . 183 LYS C . 28105 1 91 . 1 . 1 17 17 LYS CA C 13 57.863 0.000 . 1 . . . . . 183 LYS CA . 28105 1 92 . 1 . 1 17 17 LYS CB C 13 31.009 0.000 . 1 . . . . . 183 LYS CB . 28105 1 93 . 1 . 1 17 17 LYS N N 15 119.687 0.000 . 1 . . . . . 183 LYS N . 28105 1 94 . 1 . 1 18 18 LEU H H 1 8.291 0.000 . 1 . . . . . 184 LEU H . 28105 1 95 . 1 . 1 18 18 LEU HD11 H 1 0.855 0.000 . 1 . . . . . 184 LEU HD11 . 28105 1 96 . 1 . 1 18 18 LEU HD12 H 1 0.855 0.000 . 1 . . . . . 184 LEU HD12 . 28105 1 97 . 1 . 1 18 18 LEU HD13 H 1 0.855 0.000 . 1 . . . . . 184 LEU HD13 . 28105 1 98 . 1 . 1 18 18 LEU HD21 H 1 0.912 0.000 . 1 . . . . . 184 LEU HD21 . 28105 1 99 . 1 . 1 18 18 LEU HD22 H 1 0.912 0.000 . 1 . . . . . 184 LEU HD22 . 28105 1 100 . 1 . 1 18 18 LEU HD23 H 1 0.912 0.000 . 1 . . . . . 184 LEU HD23 . 28105 1 101 . 1 . 1 18 18 LEU C C 13 180.387 0.000 . 1 . . . . . 184 LEU C . 28105 1 102 . 1 . 1 18 18 LEU CA C 13 55.424 0.000 . 1 . . . . . 184 LEU CA . 28105 1 103 . 1 . 1 18 18 LEU CB C 13 39.773 0.000 . 1 . . . . . 184 LEU CB . 28105 1 104 . 1 . 1 18 18 LEU CD1 C 13 26.498 0.000 . 1 . . . . . 184 LEU CD1 . 28105 1 105 . 1 . 1 18 18 LEU CD2 C 13 23.199 0.000 . 1 . . . . . 184 LEU CD2 . 28105 1 106 . 1 . 1 18 18 LEU N N 15 120.138 0.000 . 1 . . . . . 184 LEU N . 28105 1 107 . 1 . 1 19 19 PHE H H 1 8.907 0.000 . 1 . . . . . 185 PHE H . 28105 1 108 . 1 . 1 19 19 PHE C C 13 176.252 0.000 . 1 . . . . . 185 PHE C . 28105 1 109 . 1 . 1 19 19 PHE CA C 13 60.713 0.000 . 1 . . . . . 185 PHE CA . 28105 1 110 . 1 . 1 19 19 PHE CB C 13 37.550 0.000 . 1 . . . . . 185 PHE CB . 28105 1 111 . 1 . 1 19 19 PHE N N 15 125.497 0.000 . 1 . . . . . 185 PHE N . 28105 1 112 . 1 . 1 20 20 ILE H H 1 8.252 0.000 . 1 . . . . . 186 ILE H . 28105 1 113 . 1 . 1 20 20 ILE HD11 H 1 0.943 0.000 . 1 . . . . . 186 ILE HD11 . 28105 1 114 . 1 . 1 20 20 ILE HD12 H 1 0.943 0.000 . 1 . . . . . 186 ILE HD12 . 28105 1 115 . 1 . 1 20 20 ILE HD13 H 1 0.943 0.000 . 1 . . . . . 186 ILE HD13 . 28105 1 116 . 1 . 1 20 20 ILE C C 13 178.437 0.000 . 1 . . . . . 186 ILE C . 28105 1 117 . 1 . 1 20 20 ILE CA C 13 62.486 0.000 . 1 . . . . . 186 ILE CA . 28105 1 118 . 1 . 1 20 20 ILE CB C 13 35.481 0.000 . 1 . . . . . 186 ILE CB . 28105 1 119 . 1 . 1 20 20 ILE CD1 C 13 11.911 0.000 . 1 . . . . . 186 ILE CD1 . 28105 1 120 . 1 . 1 20 20 ILE N N 15 120.739 0.000 . 1 . . . . . 186 ILE N . 28105 1 121 . 1 . 1 21 21 GLN H H 1 8.005 0.000 . 1 . . . . . 187 GLN H . 28105 1 122 . 1 . 1 21 21 GLN C C 13 178.906 0.000 . 1 . . . . . 187 GLN C . 28105 1 123 . 1 . 1 21 21 GLN CA C 13 57.514 0.000 . 1 . . . . . 187 GLN CA . 28105 1 124 . 1 . 1 21 21 GLN CB C 13 26.674 0.000 . 1 . . . . . 187 GLN CB . 28105 1 125 . 1 . 1 21 21 GLN N N 15 119.263 0.000 . 1 . . . . . 187 GLN N . 28105 1 126 . 1 . 1 22 22 LEU H H 1 7.640 0.000 . 1 . . . . . 188 LEU H . 28105 1 127 . 1 . 1 22 22 LEU HD11 H 1 0.923 0.000 . 1 . . . . . 188 LEU HD11 . 28105 1 128 . 1 . 1 22 22 LEU HD12 H 1 0.923 0.000 . 1 . . . . . 188 LEU HD12 . 28105 1 129 . 1 . 1 22 22 LEU HD13 H 1 0.923 0.000 . 1 . . . . . 188 LEU HD13 . 28105 1 130 . 1 . 1 22 22 LEU HD21 H 1 0.587 0.000 . 1 . . . . . 188 LEU HD21 . 28105 1 131 . 1 . 1 22 22 LEU HD22 H 1 0.587 0.000 . 1 . . . . . 188 LEU HD22 . 28105 1 132 . 1 . 1 22 22 LEU HD23 H 1 0.587 0.000 . 1 . . . . . 188 LEU HD23 . 28105 1 133 . 1 . 1 22 22 LEU CA C 13 57.635 0.000 . 1 . . . . . 188 LEU CA . 28105 1 134 . 1 . 1 22 22 LEU CB C 13 39.486 0.000 . 1 . . . . . 188 LEU CB . 28105 1 135 . 1 . 1 22 22 LEU CD1 C 13 24.576 0.000 . 1 . . . . . 188 LEU CD1 . 28105 1 136 . 1 . 1 22 22 LEU CD2 C 13 27.083 0.000 . 1 . . . . . 188 LEU CD2 . 28105 1 137 . 1 . 1 22 22 LEU N N 15 123.925 0.000 . 1 . . . . . 188 LEU N . 28105 1 138 . 1 . 1 23 23 VAL HG11 H 1 0.775 0.000 . 1 . . . . . 189 VAL HG11 . 28105 1 139 . 1 . 1 23 23 VAL HG12 H 1 0.775 0.000 . 1 . . . . . 189 VAL HG12 . 28105 1 140 . 1 . 1 23 23 VAL HG13 H 1 0.775 0.000 . 1 . . . . . 189 VAL HG13 . 28105 1 141 . 1 . 1 23 23 VAL HG21 H 1 0.308 0.000 . 1 . . . . . 189 VAL HG21 . 28105 1 142 . 1 . 1 23 23 VAL HG22 H 1 0.308 0.000 . 1 . . . . . 189 VAL HG22 . 28105 1 143 . 1 . 1 23 23 VAL HG23 H 1 0.308 0.000 . 1 . . . . . 189 VAL HG23 . 28105 1 144 . 1 . 1 23 23 VAL CG1 C 13 21.582 0.000 . 1 . . . . . 189 VAL CG1 . 28105 1 145 . 1 . 1 23 23 VAL CG2 C 13 23.564 0.000 . 1 . . . . . 189 VAL CG2 . 28105 1 146 . 1 . 1 24 24 GLN H H 1 8.793 0.000 . 1 . . . . . 190 GLN H . 28105 1 147 . 1 . 1 24 24 GLN C C 13 179.214 0.000 . 1 . . . . . 190 GLN C . 28105 1 148 . 1 . 1 24 24 GLN CA C 13 57.722 0.000 . 1 . . . . . 190 GLN CA . 28105 1 149 . 1 . 1 24 24 GLN CB C 13 26.878 0.000 . 1 . . . . . 190 GLN CB . 28105 1 150 . 1 . 1 24 24 GLN N N 15 117.895 0.000 . 1 . . . . . 190 GLN N . 28105 1 151 . 1 . 1 25 25 THR H H 1 8.085 0.000 . 1 . . . . . 191 THR H . 28105 1 152 . 1 . 1 25 25 THR CA C 13 65.523 0.000 . 1 . . . . . 191 THR CA . 28105 1 153 . 1 . 1 25 25 THR CB C 13 67.474 0.000 . 1 . . . . . 191 THR CB . 28105 1 154 . 1 . 1 25 25 THR N N 15 117.472 0.000 . 1 . . . . . 191 THR N . 28105 1 155 . 1 . 1 27 27 ASN H H 1 9.114 0.000 . 1 . . . . . 193 ASN H . 28105 1 156 . 1 . 1 27 27 ASN C C 13 177.528 0.000 . 1 . . . . . 193 ASN C . 28105 1 157 . 1 . 1 27 27 ASN CA C 13 53.503 0.000 . 1 . . . . . 193 ASN CA . 28105 1 158 . 1 . 1 27 27 ASN CB C 13 35.748 0.000 . 1 . . . . . 193 ASN CB . 28105 1 159 . 1 . 1 27 27 ASN N N 15 119.309 0.000 . 1 . . . . . 193 ASN N . 28105 1 160 . 1 . 1 28 28 GLN H H 1 7.539 0.000 . 1 . . . . . 194 GLN H . 28105 1 161 . 1 . 1 28 28 GLN C C 13 177.528 0.000 . 1 . . . . . 194 GLN C . 28105 1 162 . 1 . 1 28 28 GLN CA C 13 56.343 0.000 . 1 . . . . . 194 GLN CA . 28105 1 163 . 1 . 1 28 28 GLN CB C 13 27.271 0.000 . 1 . . . . . 194 GLN CB . 28105 1 164 . 1 . 1 28 28 GLN N N 15 118.142 0.000 . 1 . . . . . 194 GLN N . 28105 1 165 . 1 . 1 29 29 LEU H H 1 7.077 0.000 . 1 . . . . . 195 LEU H . 28105 1 166 . 1 . 1 29 29 LEU C C 13 176.971 0.000 . 1 . . . . . 195 LEU C . 28105 1 167 . 1 . 1 29 29 LEU CA C 13 54.538 0.000 . 1 . . . . . 195 LEU CA . 28105 1 168 . 1 . 1 29 29 LEU CB C 13 42.290 0.000 . 1 . . . . . 195 LEU CB . 28105 1 169 . 1 . 1 29 29 LEU N N 15 119.468 0.000 . 1 . . . . . 195 LEU N . 28105 1 170 . 1 . 1 30 30 PHE H H 1 7.715 0.000 . 1 . . . . . 196 PHE H . 28105 1 171 . 1 . 1 30 30 PHE C C 13 175.724 0.000 . 1 . . . . . 196 PHE C . 28105 1 172 . 1 . 1 30 30 PHE CA C 13 55.393 0.000 . 1 . . . . . 196 PHE CA . 28105 1 173 . 1 . 1 30 30 PHE CB C 13 36.149 0.000 . 1 . . . . . 196 PHE CB . 28105 1 174 . 1 . 1 30 30 PHE N N 15 121.874 0.000 . 1 . . . . . 196 PHE N . 28105 1 175 . 1 . 1 31 31 GLU H H 1 7.486 0.000 . 1 . . . . . 197 GLU H . 28105 1 176 . 1 . 1 31 31 GLU C C 13 178.407 0.000 . 1 . . . . . 197 GLU C . 28105 1 177 . 1 . 1 31 31 GLU CA C 13 57.572 0.000 . 1 . . . . . 197 GLU CA . 28105 1 178 . 1 . 1 31 31 GLU CB C 13 28.672 0.000 . 1 . . . . . 197 GLU CB . 28105 1 179 . 1 . 1 31 31 GLU N N 15 118.798 0.000 . 1 . . . . . 197 GLU N . 28105 1 180 . 1 . 1 32 32 GLU H H 1 8.670 0.000 . 1 . . . . . 198 GLU H . 28105 1 181 . 1 . 1 32 32 GLU C C 13 176.663 0.000 . 1 . . . . . 198 GLU C . 28105 1 182 . 1 . 1 32 32 GLU CA C 13 55.899 0.000 . 1 . . . . . 198 GLU CA . 28105 1 183 . 1 . 1 32 32 GLU CB C 13 28.405 0.000 . 1 . . . . . 198 GLU CB . 28105 1 184 . 1 . 1 32 32 GLU N N 15 116.323 0.000 . 1 . . . . . 198 GLU N . 28105 1 185 . 1 . 1 33 33 ASN H H 1 7.640 0.000 . 1 . . . . . 199 ASN H . 28105 1 186 . 1 . 1 33 33 ASN CA C 13 50.404 0.000 . 1 . . . . . 199 ASN CA . 28105 1 187 . 1 . 1 33 33 ASN CB C 13 38.885 0.000 . 1 . . . . . 199 ASN CB . 28105 1 188 . 1 . 1 33 33 ASN N N 15 117.157 0.000 . 1 . . . . . 199 ASN N . 28105 1 189 . 1 . 1 35 35 ILE H H 1 9.704 0.000 . 1 . . . . . 201 ILE H . 28105 1 190 . 1 . 1 35 35 ILE HD11 H 1 -0.328 0.000 . 1 . . . . . 201 ILE HD11 . 28105 1 191 . 1 . 1 35 35 ILE HD12 H 1 -0.328 0.000 . 1 . . . . . 201 ILE HD12 . 28105 1 192 . 1 . 1 35 35 ILE HD13 H 1 -0.328 0.000 . 1 . . . . . 201 ILE HD13 . 28105 1 193 . 1 . 1 35 35 ILE C C 13 175.900 0.000 . 1 . . . . . 201 ILE C . 28105 1 194 . 1 . 1 35 35 ILE CA C 13 58.136 0.000 . 1 . . . . . 201 ILE CA . 28105 1 195 . 1 . 1 35 35 ILE CB C 13 36.616 0.000 . 1 . . . . . 201 ILE CB . 28105 1 196 . 1 . 1 35 35 ILE CD1 C 13 10.992 0.000 . 1 . . . . . 201 ILE CD1 . 28105 1 197 . 1 . 1 35 35 ILE N N 15 122.612 0.000 . 1 . . . . . 201 ILE N . 28105 1 198 . 1 . 1 36 36 ASN H H 1 8.780 0.000 . 1 . . . . . 202 ASN H . 28105 1 199 . 1 . 1 36 36 ASN C C 13 174.244 0.000 . 1 . . . . . 202 ASN C . 28105 1 200 . 1 . 1 36 36 ASN CA C 13 50.231 0.000 . 1 . . . . . 202 ASN CA . 28105 1 201 . 1 . 1 36 36 ASN CB C 13 36.749 0.000 . 1 . . . . . 202 ASN CB . 28105 1 202 . 1 . 1 36 36 ASN N N 15 126.345 0.000 . 1 . . . . . 202 ASN N . 28105 1 203 . 1 . 1 37 37 ALA H H 1 8.635 0.000 . 1 . . . . . 203 ALA H . 28105 1 204 . 1 . 1 37 37 ALA C C 13 177.542 0.000 . 1 . . . . . 203 ALA C . 28105 1 205 . 1 . 1 37 37 ALA CA C 13 49.345 0.000 . 1 . . . . . 203 ALA CA . 28105 1 206 . 1 . 1 37 37 ALA CB C 13 18.126 0.000 . 1 . . . . . 203 ALA CB . 28105 1 207 . 1 . 1 37 37 ALA N N 15 126.728 0.000 . 1 . . . . . 203 ALA N . 28105 1 208 . 1 . 1 38 38 SER H H 1 8.010 0.000 . 1 . . . . . 204 SER H . 28105 1 209 . 1 . 1 38 38 SER C C 13 175.783 0.000 . 1 . . . . . 204 SER C . 28105 1 210 . 1 . 1 38 38 SER CA C 13 59.319 0.000 . 1 . . . . . 204 SER CA . 28105 1 211 . 1 . 1 38 38 SER CB C 13 61.514 0.000 . 1 . . . . . 204 SER CB . 28105 1 212 . 1 . 1 38 38 SER N N 15 116.419 0.000 . 1 . . . . . 204 SER N . 28105 1 213 . 1 . 1 39 39 GLY H H 1 8.881 0.000 . 1 . . . . . 205 GLY H . 28105 1 214 . 1 . 1 39 39 GLY C C 13 173.936 0.000 . 1 . . . . . 205 GLY C . 28105 1 215 . 1 . 1 39 39 GLY CA C 13 43.845 0.000 . 1 . . . . . 205 GLY CA . 28105 1 216 . 1 . 1 39 39 GLY N N 15 112.985 0.000 . 1 . . . . . 205 GLY N . 28105 1 217 . 1 . 1 40 40 VAL H H 1 7.420 0.000 . 1 . . . . . 206 VAL H . 28105 1 218 . 1 . 1 40 40 VAL HG11 H 1 0.571 0.000 . 1 . . . . . 206 VAL HG11 . 28105 1 219 . 1 . 1 40 40 VAL HG12 H 1 0.571 0.000 . 1 . . . . . 206 VAL HG12 . 28105 1 220 . 1 . 1 40 40 VAL HG13 H 1 0.571 0.000 . 1 . . . . . 206 VAL HG13 . 28105 1 221 . 1 . 1 40 40 VAL HG21 H 1 0.911 0.000 . 1 . . . . . 206 VAL HG21 . 28105 1 222 . 1 . 1 40 40 VAL HG22 H 1 0.911 0.000 . 1 . . . . . 206 VAL HG22 . 28105 1 223 . 1 . 1 40 40 VAL HG23 H 1 0.911 0.000 . 1 . . . . . 206 VAL HG23 . 28105 1 224 . 1 . 1 40 40 VAL C C 13 175.226 0.000 . 1 . . . . . 206 VAL C . 28105 1 225 . 1 . 1 40 40 VAL CA C 13 60.966 0.000 . 1 . . . . . 206 VAL CA . 28105 1 226 . 1 . 1 40 40 VAL CB C 13 31.076 0.000 . 1 . . . . . 206 VAL CB . 28105 1 227 . 1 . 1 40 40 VAL CG1 C 13 20.737 0.000 . 1 . . . . . 206 VAL CG1 . 28105 1 228 . 1 . 1 40 40 VAL CG2 C 13 22.178 0.000 . 1 . . . . . 206 VAL CG2 . 28105 1 229 . 1 . 1 40 40 VAL N N 15 120.944 0.000 . 1 . . . . . 206 VAL N . 28105 1 230 . 1 . 1 41 41 ASP H H 1 8.775 0.000 . 1 . . . . . 207 ASP H . 28105 1 231 . 1 . 1 41 41 ASP C C 13 175.109 0.000 . 1 . . . . . 207 ASP C . 28105 1 232 . 1 . 1 41 41 ASP CA C 13 50.360 0.000 . 1 . . . . . 207 ASP CA . 28105 1 233 . 1 . 1 41 41 ASP CB C 13 37.583 0.000 . 1 . . . . . 207 ASP CB . 28105 1 234 . 1 . 1 41 41 ASP N N 15 130.556 0.000 . 1 . . . . . 207 ASP N . 28105 1 235 . 1 . 1 42 42 ALA H H 1 7.785 0.000 . 1 . . . . . 208 ALA H . 28105 1 236 . 1 . 1 42 42 ALA C C 13 179.023 0.000 . 1 . . . . . 208 ALA C . 28105 1 237 . 1 . 1 42 42 ALA CA C 13 53.841 0.000 . 1 . . . . . 208 ALA CA . 28105 1 238 . 1 . 1 42 42 ALA CB C 13 16.499 0.000 . 1 . . . . . 208 ALA CB . 28105 1 239 . 1 . 1 42 42 ALA N N 15 125.880 0.000 . 1 . . . . . 208 ALA N . 28105 1 240 . 1 . 1 43 43 LYS H H 1 8.696 0.000 . 1 . . . . . 209 LYS H . 28105 1 241 . 1 . 1 43 43 LYS C C 13 178.613 0.000 . 1 . . . . . 209 LYS C . 28105 1 242 . 1 . 1 43 43 LYS CA C 13 58.686 0.000 . 1 . . . . . 209 LYS CA . 28105 1 243 . 1 . 1 43 43 LYS CB C 13 30.541 0.000 . 1 . . . . . 209 LYS CB . 28105 1 244 . 1 . 1 43 43 LYS N N 15 118.265 0.000 . 1 . . . . . 209 LYS N . 28105 1 245 . 1 . 1 44 44 ALA H H 1 7.605 0.000 . 1 . . . . . 210 ALA H . 28105 1 246 . 1 . 1 44 44 ALA C C 13 180.049 0.000 . 1 . . . . . 210 ALA C . 28105 1 247 . 1 . 1 44 44 ALA CA C 13 52.986 0.000 . 1 . . . . . 210 ALA CA . 28105 1 248 . 1 . 1 44 44 ALA CB C 13 17.124 0.000 . 1 . . . . . 210 ALA CB . 28105 1 249 . 1 . 1 44 44 ALA N N 15 122.175 0.000 . 1 . . . . . 210 ALA N . 28105 1 250 . 1 . 1 45 45 ILE H H 1 7.530 0.000 . 1 . . . . . 211 ILE H . 28105 1 251 . 1 . 1 45 45 ILE HD11 H 1 0.679 0.000 . 1 . . . . . 211 ILE HD11 . 28105 1 252 . 1 . 1 45 45 ILE HD12 H 1 0.679 0.000 . 1 . . . . . 211 ILE HD12 . 28105 1 253 . 1 . 1 45 45 ILE HD13 H 1 0.679 0.000 . 1 . . . . . 211 ILE HD13 . 28105 1 254 . 1 . 1 45 45 ILE C C 13 178.451 0.000 . 1 . . . . . 211 ILE C . 28105 1 255 . 1 . 1 45 45 ILE CA C 13 62.328 0.000 . 1 . . . . . 211 ILE CA . 28105 1 256 . 1 . 1 45 45 ILE CB C 13 37.817 0.000 . 1 . . . . . 211 ILE CB . 28105 1 257 . 1 . 1 45 45 ILE CD1 C 13 13.862 0.000 . 1 . . . . . 211 ILE CD1 . 28105 1 258 . 1 . 1 45 45 ILE N N 15 116.186 0.000 . 1 . . . . . 211 ILE N . 28105 1 259 . 1 . 1 46 46 LEU H H 1 8.695 0.000 . 1 . . . . . 212 LEU H . 28105 1 260 . 1 . 1 46 46 LEU HD11 H 1 0.741 0.000 . 1 . . . . . 212 LEU HD11 . 28105 1 261 . 1 . 1 46 46 LEU HD12 H 1 0.741 0.000 . 1 . . . . . 212 LEU HD12 . 28105 1 262 . 1 . 1 46 46 LEU HD13 H 1 0.741 0.000 . 1 . . . . . 212 LEU HD13 . 28105 1 263 . 1 . 1 46 46 LEU HD21 H 1 0.773 0.000 . 1 . . . . . 212 LEU HD21 . 28105 1 264 . 1 . 1 46 46 LEU HD22 H 1 0.773 0.000 . 1 . . . . . 212 LEU HD22 . 28105 1 265 . 1 . 1 46 46 LEU HD23 H 1 0.773 0.000 . 1 . . . . . 212 LEU HD23 . 28105 1 266 . 1 . 1 46 46 LEU C C 13 176.765 0.000 . 1 . . . . . 212 LEU C . 28105 1 267 . 1 . 1 46 46 LEU CA C 13 55.350 0.000 . 1 . . . . . 212 LEU CA . 28105 1 268 . 1 . 1 46 46 LEU CB C 13 39.465 0.000 . 1 . . . . . 212 LEU CB . 28105 1 269 . 1 . 1 46 46 LEU CD1 C 13 25.398 0.000 . 1 . . . . . 212 LEU CD1 . 28105 1 270 . 1 . 1 46 46 LEU CD2 C 13 22.143 0.000 . 1 . . . . . 212 LEU CD2 . 28105 1 271 . 1 . 1 46 46 LEU N N 15 114.837 0.000 . 1 . . . . . 212 LEU N . 28105 1 272 . 1 . 1 47 47 SER H H 1 7.468 0.000 . 1 . . . . . 213 SER H . 28105 1 273 . 1 . 1 47 47 SER C C 13 173.701 0.000 . 1 . . . . . 213 SER C . 28105 1 274 . 1 . 1 47 47 SER CA C 13 56.279 0.000 . 1 . . . . . 213 SER CA . 28105 1 275 . 1 . 1 47 47 SER CB C 13 62.560 0.000 . 1 . . . . . 213 SER CB . 28105 1 276 . 1 . 1 47 47 SER N N 15 110.813 0.000 . 1 . . . . . 213 SER N . 28105 1 277 . 1 . 1 48 48 ALA H H 1 6.536 0.000 . 1 . . . . . 214 ALA H . 28105 1 278 . 1 . 1 48 48 ALA CA C 13 50.865 0.000 . 1 . . . . . 214 ALA CA . 28105 1 279 . 1 . 1 48 48 ALA CB C 13 18.290 0.000 . 1 . . . . . 214 ALA CB . 28105 1 280 . 1 . 1 48 48 ALA N N 15 123.939 0.000 . 1 . . . . . 214 ALA N . 28105 1 281 . 1 . 1 50 50 LEU H H 1 7.684 0.000 . 1 . . . . . 216 LEU H . 28105 1 282 . 1 . 1 50 50 LEU HD11 H 1 0.846 0.000 . 1 . . . . . 216 LEU HD11 . 28105 1 283 . 1 . 1 50 50 LEU HD12 H 1 0.846 0.000 . 1 . . . . . 216 LEU HD12 . 28105 1 284 . 1 . 1 50 50 LEU HD13 H 1 0.846 0.000 . 1 . . . . . 216 LEU HD13 . 28105 1 285 . 1 . 1 50 50 LEU HD21 H 1 0.982 0.000 . 1 . . . . . 216 LEU HD21 . 28105 1 286 . 1 . 1 50 50 LEU HD22 H 1 0.982 0.000 . 1 . . . . . 216 LEU HD22 . 28105 1 287 . 1 . 1 50 50 LEU HD23 H 1 0.982 0.000 . 1 . . . . . 216 LEU HD23 . 28105 1 288 . 1 . 1 50 50 LEU CA C 13 50.991 0.000 . 1 . . . . . 216 LEU CA . 28105 1 289 . 1 . 1 50 50 LEU CB C 13 46.562 0.000 . 1 . . . . . 216 LEU CB . 28105 1 290 . 1 . 1 50 50 LEU CD1 C 13 25.625 0.000 . 1 . . . . . 216 LEU CD1 . 28105 1 291 . 1 . 1 50 50 LEU CD2 C 13 23.257 0.000 . 1 . . . . . 216 LEU CD2 . 28105 1 292 . 1 . 1 50 50 LEU N N 15 123.118 0.000 . 1 . . . . . 216 LEU N . 28105 1 293 . 1 . 1 52 52 LYS H H 1 8.990 0.000 . 1 . . . . . 218 LYS H . 28105 1 294 . 1 . 1 52 52 LYS C C 13 178.275 0.000 . 1 . . . . . 218 LYS C . 28105 1 295 . 1 . 1 52 52 LYS CA C 13 59.200 0.000 . 1 . . . . . 218 LYS CA . 28105 1 296 . 1 . 1 52 52 LYS N N 15 123.163 0.000 . 1 . . . . . 218 LYS N . 28105 1 297 . 1 . 1 53 53 SER H H 1 8.458 0.000 . 1 . . . . . 219 SER H . 28105 1 298 . 1 . 1 53 53 SER C C 13 176.428 0.000 . 1 . . . . . 219 SER C . 28105 1 299 . 1 . 1 53 53 SER CA C 13 60.554 0.000 . 1 . . . . . 219 SER CA . 28105 1 300 . 1 . 1 53 53 SER CB C 13 60.858 0.000 . 1 . . . . . 219 SER CB . 28105 1 301 . 1 . 1 53 53 SER N N 15 112.088 0.000 . 1 . . . . . 219 SER N . 28105 1 302 . 1 . 1 54 54 ARG H H 1 7.636 0.000 . 1 . . . . . 220 ARG H . 28105 1 303 . 1 . 1 54 54 ARG C C 13 178.334 0.000 . 1 . . . . . 220 ARG C . 28105 1 304 . 1 . 1 54 54 ARG CA C 13 56.445 0.000 . 1 . . . . . 220 ARG CA . 28105 1 305 . 1 . 1 54 54 ARG CB C 13 27.805 0.000 . 1 . . . . . 220 ARG CB . 28105 1 306 . 1 . 1 54 54 ARG N N 15 123.528 0.000 . 1 . . . . . 220 ARG N . 28105 1 307 . 1 . 1 55 55 ARG H H 1 7.895 0.000 . 1 . . . . . 221 ARG H . 28105 1 308 . 1 . 1 55 55 ARG C C 13 177.542 0.000 . 1 . . . . . 221 ARG C . 28105 1 309 . 1 . 1 55 55 ARG CA C 13 59.129 0.000 . 1 . . . . . 221 ARG CA . 28105 1 310 . 1 . 1 55 55 ARG CB C 13 30.875 0.000 . 1 . . . . . 221 ARG CB . 28105 1 311 . 1 . 1 55 55 ARG N N 15 119.058 0.000 . 1 . . . . . 221 ARG N . 28105 1 312 . 1 . 1 56 56 LEU H H 1 7.609 0.000 . 1 . . . . . 222 LEU H . 28105 1 313 . 1 . 1 56 56 LEU HD11 H 1 0.955 0.000 . 1 . . . . . 222 LEU HD11 . 28105 1 314 . 1 . 1 56 56 LEU HD12 H 1 0.955 0.000 . 1 . . . . . 222 LEU HD12 . 28105 1 315 . 1 . 1 56 56 LEU HD13 H 1 0.955 0.000 . 1 . . . . . 222 LEU HD13 . 28105 1 316 . 1 . 1 56 56 LEU HD21 H 1 0.889 0.000 . 1 . . . . . 222 LEU HD21 . 28105 1 317 . 1 . 1 56 56 LEU HD22 H 1 0.889 0.000 . 1 . . . . . 222 LEU HD22 . 28105 1 318 . 1 . 1 56 56 LEU HD23 H 1 0.889 0.000 . 1 . . . . . 222 LEU HD23 . 28105 1 319 . 1 . 1 56 56 LEU C C 13 177.718 0.000 . 1 . . . . . 222 LEU C . 28105 1 320 . 1 . 1 56 56 LEU CA C 13 56.881 0.000 . 1 . . . . . 222 LEU CA . 28105 1 321 . 1 . 1 56 56 LEU CB C 13 40.087 0.000 . 1 . . . . . 222 LEU CB . 28105 1 322 . 1 . 1 56 56 LEU CD1 C 13 24.112 0.000 . 1 . . . . . 222 LEU CD1 . 28105 1 323 . 1 . 1 56 56 LEU CD2 C 13 26.387 0.000 . 1 . . . . . 222 LEU CD2 . 28105 1 324 . 1 . 1 56 56 LEU N N 15 118.743 0.000 . 1 . . . . . 222 LEU N . 28105 1 325 . 1 . 1 57 57 GLU H H 1 7.671 0.000 . 1 . . . . . 223 GLU H . 28105 1 326 . 1 . 1 57 57 GLU C C 13 179.316 0.000 . 1 . . . . . 223 GLU C . 28105 1 327 . 1 . 1 57 57 GLU CA C 13 58.042 0.000 . 1 . . . . . 223 GLU CA . 28105 1 328 . 1 . 1 57 57 GLU CB C 13 27.871 0.000 . 1 . . . . . 223 GLU CB . 28105 1 329 . 1 . 1 57 57 GLU N N 15 117.403 0.000 . 1 . . . . . 223 GLU N . 28105 1 330 . 1 . 1 58 58 ASN H H 1 8.507 0.000 . 1 . . . . . 224 ASN H . 28105 1 331 . 1 . 1 58 58 ASN C C 13 177.454 0.000 . 1 . . . . . 224 ASN C . 28105 1 332 . 1 . 1 58 58 ASN CA C 13 53.461 0.000 . 1 . . . . . 224 ASN CA . 28105 1 333 . 1 . 1 58 58 ASN CB C 13 36.282 0.000 . 1 . . . . . 224 ASN CB . 28105 1 334 . 1 . 1 58 58 ASN N N 15 118.839 0.000 . 1 . . . . . 224 ASN N . 28105 1 335 . 1 . 1 59 59 LEU H H 1 8.045 0.000 . 1 . . . . . 225 LEU H . 28105 1 336 . 1 . 1 59 59 LEU HD11 H 1 0.887 0.000 . 1 . . . . . 225 LEU HD11 . 28105 1 337 . 1 . 1 59 59 LEU HD12 H 1 0.887 0.000 . 1 . . . . . 225 LEU HD12 . 28105 1 338 . 1 . 1 59 59 LEU HD13 H 1 0.887 0.000 . 1 . . . . . 225 LEU HD13 . 28105 1 339 . 1 . 1 59 59 LEU HD21 H 1 0.921 0.000 . 1 . . . . . 225 LEU HD21 . 28105 1 340 . 1 . 1 59 59 LEU HD22 H 1 0.921 0.000 . 1 . . . . . 225 LEU HD22 . 28105 1 341 . 1 . 1 59 59 LEU HD23 H 1 0.921 0.000 . 1 . . . . . 225 LEU HD23 . 28105 1 342 . 1 . 1 59 59 LEU C C 13 179.258 0.000 . 1 . . . . . 225 LEU C . 28105 1 343 . 1 . 1 59 59 LEU CA C 13 55.899 0.000 . 1 . . . . . 225 LEU CA . 28105 1 344 . 1 . 1 59 59 LEU CB C 13 39.086 0.000 . 1 . . . . . 225 LEU CB . 28105 1 345 . 1 . 1 59 59 LEU CD1 C 13 23.968 0.000 . 1 . . . . . 225 LEU CD1 . 28105 1 346 . 1 . 1 59 59 LEU CD2 C 13 24.983 0.000 . 1 . . . . . 225 LEU CD2 . 28105 1 347 . 1 . 1 59 59 LEU N N 15 121.983 0.000 . 1 . . . . . 225 LEU N . 28105 1 348 . 1 . 1 60 60 ILE H H 1 8.217 0.000 . 1 . . . . . 226 ILE H . 28105 1 349 . 1 . 1 60 60 ILE HD11 H 1 0.756 0.000 . 1 . . . . . 226 ILE HD11 . 28105 1 350 . 1 . 1 60 60 ILE HD12 H 1 0.756 0.000 . 1 . . . . . 226 ILE HD12 . 28105 1 351 . 1 . 1 60 60 ILE HD13 H 1 0.756 0.000 . 1 . . . . . 226 ILE HD13 . 28105 1 352 . 1 . 1 60 60 ILE C C 13 178.525 0.000 . 1 . . . . . 226 ILE C . 28105 1 353 . 1 . 1 60 60 ILE CA C 13 60.048 0.000 . 1 . . . . . 226 ILE CA . 28105 1 354 . 1 . 1 60 60 ILE CB C 13 33.946 0.000 . 1 . . . . . 226 ILE CB . 28105 1 355 . 1 . 1 60 60 ILE CD1 C 13 9.127 0.000 . 1 . . . . . 226 ILE CD1 . 28105 1 356 . 1 . 1 60 60 ILE N N 15 118.702 0.000 . 1 . . . . . 226 ILE N . 28105 1 357 . 1 . 1 61 61 ALA H H 1 7.843 0.000 . 1 . . . . . 227 ALA H . 28105 1 358 . 1 . 1 61 61 ALA C C 13 178.847 0.000 . 1 . . . . . 227 ALA C . 28105 1 359 . 1 . 1 61 61 ALA CA C 13 52.733 0.000 . 1 . . . . . 227 ALA CA . 28105 1 360 . 1 . 1 61 61 ALA CB C 13 16.729 0.000 . 1 . . . . . 227 ALA CB . 28105 1 361 . 1 . 1 61 61 ALA N N 15 121.272 0.000 . 1 . . . . . 227 ALA N . 28105 1 362 . 1 . 1 62 62 GLN H H 1 7.417 0.000 . 1 . . . . . 228 GLN H . 28105 1 363 . 1 . 1 62 62 GLN C C 13 174.244 0.000 . 1 . . . . . 228 GLN C . 28105 1 364 . 1 . 1 62 62 GLN CA C 13 53.461 0.000 . 1 . . . . . 228 GLN CA . 28105 1 365 . 1 . 1 62 62 GLN CB C 13 27.370 0.000 . 1 . . . . . 228 GLN CB . 28105 1 366 . 1 . 1 62 62 GLN N N 15 114.124 0.000 . 1 . . . . . 228 GLN N . 28105 1 367 . 1 . 1 63 63 LEU H H 1 7.600 0.000 . 1 . . . . . 229 LEU H . 28105 1 368 . 1 . 1 63 63 LEU HD11 H 1 0.819 0.000 . 1 . . . . . 229 LEU HD11 . 28105 1 369 . 1 . 1 63 63 LEU HD12 H 1 0.819 0.000 . 1 . . . . . 229 LEU HD12 . 28105 1 370 . 1 . 1 63 63 LEU HD13 H 1 0.819 0.000 . 1 . . . . . 229 LEU HD13 . 28105 1 371 . 1 . 1 63 63 LEU HD21 H 1 0.786 0.000 . 1 . . . . . 229 LEU HD21 . 28105 1 372 . 1 . 1 63 63 LEU HD22 H 1 0.786 0.000 . 1 . . . . . 229 LEU HD22 . 28105 1 373 . 1 . 1 63 63 LEU HD23 H 1 0.786 0.000 . 1 . . . . . 229 LEU HD23 . 28105 1 374 . 1 . 1 63 63 LEU CA C 13 49.503 0.000 . 1 . . . . . 229 LEU CA . 28105 1 375 . 1 . 1 63 63 LEU CB C 13 39.553 0.000 . 1 . . . . . 229 LEU CB . 28105 1 376 . 1 . 1 63 63 LEU CD1 C 13 27.578 0.000 . 1 . . . . . 229 LEU CD1 . 28105 1 377 . 1 . 1 63 63 LEU CD2 C 13 23.802 0.000 . 1 . . . . . 229 LEU CD2 . 28105 1 378 . 1 . 1 63 63 LEU N N 15 121.505 0.000 . 1 . . . . . 229 LEU N . 28105 1 379 . 1 . 1 65 65 GLY H H 1 8.678 0.000 . 1 . . . . . 231 GLY H . 28105 1 380 . 1 . 1 65 65 GLY C C 13 174.889 0.000 . 1 . . . . . 231 GLY C . 28105 1 381 . 1 . 1 65 65 GLY CA C 13 43.841 0.000 . 1 . . . . . 231 GLY CA . 28105 1 382 . 1 . 1 65 65 GLY N N 15 112.162 0.000 . 1 . . . . . 231 GLY N . 28105 1 383 . 1 . 1 66 66 GLU H H 1 7.807 0.000 . 1 . . . . . 232 GLU H . 28105 1 384 . 1 . 1 66 66 GLU C C 13 176.399 0.000 . 1 . . . . . 232 GLU C . 28105 1 385 . 1 . 1 66 66 GLU CA C 13 54.000 0.000 . 1 . . . . . 232 GLU CA . 28105 1 386 . 1 . 1 66 66 GLU CB C 13 29.607 0.000 . 1 . . . . . 232 GLU CB . 28105 1 387 . 1 . 1 66 66 GLU N N 15 119.837 0.000 . 1 . . . . . 232 GLU N . 28105 1 388 . 1 . 1 67 67 LYS H H 1 8.591 0.000 . 1 . . . . . 233 LYS H . 28105 1 389 . 1 . 1 67 67 LYS CA C 13 52.764 0.000 . 1 . . . . . 233 LYS CA . 28105 1 390 . 1 . 1 67 67 LYS CB C 13 32.677 0.000 . 1 . . . . . 233 LYS CB . 28105 1 391 . 1 . 1 67 67 LYS N N 15 119.741 0.000 . 1 . . . . . 233 LYS N . 28105 1 392 . 1 . 1 69 69 ASN H H 1 7.570 0.000 . 1 . . . . . 235 ASN H . 28105 1 393 . 1 . 1 69 69 ASN C C 13 177.279 0.000 . 1 . . . . . 235 ASN C . 28105 1 394 . 1 . 1 69 69 ASN CA C 13 50.105 0.000 . 1 . . . . . 235 ASN CA . 28105 1 395 . 1 . 1 69 69 ASN CB C 13 36.031 0.000 . 1 . . . . . 235 ASN CB . 28105 1 396 . 1 . 1 69 69 ASN N N 15 111.305 0.000 . 1 . . . . . 235 ASN N . 28105 1 397 . 1 . 1 70 70 GLY H H 1 7.015 0.000 . 1 . . . . . 236 GLY H . 28105 1 398 . 1 . 1 70 70 GLY C C 13 171.927 0.000 . 1 . . . . . 236 GLY C . 28105 1 399 . 1 . 1 70 70 GLY CA C 13 43.455 0.000 . 1 . . . . . 236 GLY CA . 28105 1 400 . 1 . 1 70 70 GLY N N 15 106.807 0.000 . 1 . . . . . 236 GLY N . 28105 1 401 . 1 . 1 71 71 LEU H H 1 8.269 0.000 . 1 . . . . . 237 LEU H . 28105 1 402 . 1 . 1 71 71 LEU HD11 H 1 1.237 0.000 . 1 . . . . . 237 LEU HD11 . 28105 1 403 . 1 . 1 71 71 LEU HD12 H 1 1.237 0.000 . 1 . . . . . 237 LEU HD12 . 28105 1 404 . 1 . 1 71 71 LEU HD13 H 1 1.237 0.000 . 1 . . . . . 237 LEU HD13 . 28105 1 405 . 1 . 1 71 71 LEU HD21 H 1 1.014 0.000 . 1 . . . . . 237 LEU HD21 . 28105 1 406 . 1 . 1 71 71 LEU HD22 H 1 1.014 0.000 . 1 . . . . . 237 LEU HD22 . 28105 1 407 . 1 . 1 71 71 LEU HD23 H 1 1.014 0.000 . 1 . . . . . 237 LEU HD23 . 28105 1 408 . 1 . 1 71 71 LEU C C 13 177.733 0.000 . 1 . . . . . 237 LEU C . 28105 1 409 . 1 . 1 71 71 LEU CA C 13 57.274 0.000 . 1 . . . . . 237 LEU CA . 28105 1 410 . 1 . 1 71 71 LEU CB C 13 39.594 0.000 . 1 . . . . . 237 LEU CB . 28105 1 411 . 1 . 1 71 71 LEU CD1 C 13 23.667 0.000 . 1 . . . . . 237 LEU CD1 . 28105 1 412 . 1 . 1 71 71 LEU CD2 C 13 27.611 0.000 . 1 . . . . . 237 LEU CD2 . 28105 1 413 . 1 . 1 71 71 LEU N N 15 121.573 0.000 . 1 . . . . . 237 LEU N . 28105 1 414 . 1 . 1 72 72 PHE H H 1 9.088 0.000 . 1 . . . . . 238 PHE H . 28105 1 415 . 1 . 1 72 72 PHE C C 13 177.586 0.000 . 1 . . . . . 238 PHE C . 28105 1 416 . 1 . 1 72 72 PHE CA C 13 62.011 0.000 . 1 . . . . . 238 PHE CA . 28105 1 417 . 1 . 1 72 72 PHE CB C 13 37.283 0.000 . 1 . . . . . 238 PHE CB . 28105 1 418 . 1 . 1 72 72 PHE N N 15 119.550 0.000 . 1 . . . . . 238 PHE N . 28105 1 419 . 1 . 1 73 73 GLY H H 1 9.321 0.000 . 1 . . . . . 239 GLY H . 28105 1 420 . 1 . 1 73 73 GLY C C 13 175.285 0.000 . 1 . . . . . 239 GLY C . 28105 1 421 . 1 . 1 73 73 GLY CA C 13 45.897 0.000 . 1 . . . . . 239 GLY CA . 28105 1 422 . 1 . 1 73 73 GLY N N 15 107.518 0.000 . 1 . . . . . 239 GLY N . 28105 1 423 . 1 . 1 74 74 ASN H H 1 8.520 0.000 . 1 . . . . . 240 ASN H . 28105 1 424 . 1 . 1 74 74 ASN C C 13 178.481 0.000 . 1 . . . . . 240 ASN C . 28105 1 425 . 1 . 1 74 74 ASN CA C 13 53.145 0.000 . 1 . . . . . 240 ASN CA . 28105 1 426 . 1 . 1 74 74 ASN CB C 13 36.549 0.000 . 1 . . . . . 240 ASN CB . 28105 1 427 . 1 . 1 74 74 ASN N N 15 119.126 0.000 . 1 . . . . . 240 ASN N . 28105 1 428 . 1 . 1 75 75 LEU H H 1 8.345 0.000 . 1 . . . . . 241 LEU H . 28105 1 429 . 1 . 1 75 75 LEU HD11 H 1 1.219 0.000 . 1 . . . . . 241 LEU HD11 . 28105 1 430 . 1 . 1 75 75 LEU HD12 H 1 1.219 0.000 . 1 . . . . . 241 LEU HD12 . 28105 1 431 . 1 . 1 75 75 LEU HD13 H 1 1.219 0.000 . 1 . . . . . 241 LEU HD13 . 28105 1 432 . 1 . 1 75 75 LEU HD21 H 1 1.154 0.000 . 1 . . . . . 241 LEU HD21 . 28105 1 433 . 1 . 1 75 75 LEU HD22 H 1 1.154 0.000 . 1 . . . . . 241 LEU HD22 . 28105 1 434 . 1 . 1 75 75 LEU HD23 H 1 1.154 0.000 . 1 . . . . . 241 LEU HD23 . 28105 1 435 . 1 . 1 75 75 LEU CA C 13 56.790 0.000 . 1 . . . . . 241 LEU CA . 28105 1 436 . 1 . 1 75 75 LEU CB C 13 39.620 0.000 . 1 . . . . . 241 LEU CB . 28105 1 437 . 1 . 1 75 75 LEU CD1 C 13 25.003 0.000 . 1 . . . . . 241 LEU CD1 . 28105 1 438 . 1 . 1 75 75 LEU CD2 C 13 24.947 0.000 . 1 . . . . . 241 LEU CD2 . 28105 1 439 . 1 . 1 75 75 LEU N N 15 123.831 0.000 . 1 . . . . . 241 LEU N . 28105 1 440 . 1 . 1 76 76 ILE HD11 H 1 0.477 0.000 . 1 . . . . . 242 ILE HD11 . 28105 1 441 . 1 . 1 76 76 ILE HD12 H 1 0.477 0.000 . 1 . . . . . 242 ILE HD12 . 28105 1 442 . 1 . 1 76 76 ILE HD13 H 1 0.477 0.000 . 1 . . . . . 242 ILE HD13 . 28105 1 443 . 1 . 1 76 76 ILE CD1 C 13 8.011 0.000 . 1 . . . . . 242 ILE CD1 . 28105 1 444 . 1 . 1 78 78 LEU HD11 H 1 0.900 0.000 . 1 . . . . . 244 LEU HD11 . 28105 1 445 . 1 . 1 78 78 LEU HD12 H 1 0.900 0.000 . 1 . . . . . 244 LEU HD12 . 28105 1 446 . 1 . 1 78 78 LEU HD13 H 1 0.900 0.000 . 1 . . . . . 244 LEU HD13 . 28105 1 447 . 1 . 1 78 78 LEU HD21 H 1 0.308 0.000 . 1 . . . . . 244 LEU HD21 . 28105 1 448 . 1 . 1 78 78 LEU HD22 H 1 0.308 0.000 . 1 . . . . . 244 LEU HD22 . 28105 1 449 . 1 . 1 78 78 LEU HD23 H 1 0.308 0.000 . 1 . . . . . 244 LEU HD23 . 28105 1 450 . 1 . 1 78 78 LEU CD1 C 13 27.294 0.000 . 1 . . . . . 244 LEU CD1 . 28105 1 451 . 1 . 1 78 78 LEU CD2 C 13 22.086 0.000 . 1 . . . . . 244 LEU CD2 . 28105 1 452 . 1 . 1 80 80 LEU H H 1 7.971 0.000 . 1 . . . . . 246 LEU H . 28105 1 453 . 1 . 1 80 80 LEU HD11 H 1 0.862 0.000 . 1 . . . . . 246 LEU HD11 . 28105 1 454 . 1 . 1 80 80 LEU HD12 H 1 0.862 0.000 . 1 . . . . . 246 LEU HD12 . 28105 1 455 . 1 . 1 80 80 LEU HD13 H 1 0.862 0.000 . 1 . . . . . 246 LEU HD13 . 28105 1 456 . 1 . 1 80 80 LEU HD21 H 1 1.053 0.000 . 1 . . . . . 246 LEU HD21 . 28105 1 457 . 1 . 1 80 80 LEU HD22 H 1 1.053 0.000 . 1 . . . . . 246 LEU HD22 . 28105 1 458 . 1 . 1 80 80 LEU HD23 H 1 1.053 0.000 . 1 . . . . . 246 LEU HD23 . 28105 1 459 . 1 . 1 80 80 LEU C C 13 176.736 0.000 . 1 . . . . . 246 LEU C . 28105 1 460 . 1 . 1 80 80 LEU CA C 13 54.067 0.000 . 1 . . . . . 246 LEU CA . 28105 1 461 . 1 . 1 80 80 LEU CB C 13 42.690 0.000 . 1 . . . . . 246 LEU CB . 28105 1 462 . 1 . 1 80 80 LEU CD1 C 13 26.815 0.000 . 1 . . . . . 246 LEU CD1 . 28105 1 463 . 1 . 1 80 80 LEU CD2 C 13 24.162 0.000 . 1 . . . . . 246 LEU CD2 . 28105 1 464 . 1 . 1 80 80 LEU N N 15 119.957 0.000 . 1 . . . . . 246 LEU N . 28105 1 465 . 1 . 1 81 81 GLY H H 1 7.851 0.000 . 1 . . . . . 247 GLY H . 28105 1 466 . 1 . 1 81 81 GLY C C 13 176.311 0.000 . 1 . . . . . 247 GLY C . 28105 1 467 . 1 . 1 81 81 GLY CA C 13 44.056 0.000 . 1 . . . . . 247 GLY CA . 28105 1 468 . 1 . 1 81 81 GLY N N 15 105.372 0.000 . 1 . . . . . 247 GLY N . 28105 1 469 . 1 . 1 82 82 LEU H H 1 7.909 0.000 . 1 . . . . . 248 LEU H . 28105 1 470 . 1 . 1 82 82 LEU HD11 H 1 0.837 0.000 . 1 . . . . . 248 LEU HD11 . 28105 1 471 . 1 . 1 82 82 LEU HD12 H 1 0.837 0.000 . 1 . . . . . 248 LEU HD12 . 28105 1 472 . 1 . 1 82 82 LEU HD13 H 1 0.837 0.000 . 1 . . . . . 248 LEU HD13 . 28105 1 473 . 1 . 1 82 82 LEU HD21 H 1 0.937 0.000 . 1 . . . . . 248 LEU HD21 . 28105 1 474 . 1 . 1 82 82 LEU HD22 H 1 0.937 0.000 . 1 . . . . . 248 LEU HD22 . 28105 1 475 . 1 . 1 82 82 LEU HD23 H 1 0.937 0.000 . 1 . . . . . 248 LEU HD23 . 28105 1 476 . 1 . 1 82 82 LEU C C 13 174.478 0.000 . 1 . . . . . 248 LEU C . 28105 1 477 . 1 . 1 82 82 LEU CA C 13 52.891 0.000 . 1 . . . . . 248 LEU CA . 28105 1 478 . 1 . 1 82 82 LEU CB C 13 39.553 0.000 . 1 . . . . . 248 LEU CB . 28105 1 479 . 1 . 1 82 82 LEU CD1 C 13 24.790 0.000 . 1 . . . . . 248 LEU CD1 . 28105 1 480 . 1 . 1 82 82 LEU CD2 C 13 22.763 0.000 . 1 . . . . . 248 LEU CD2 . 28105 1 481 . 1 . 1 82 82 LEU N N 15 122.353 0.000 . 1 . . . . . 248 LEU N . 28105 1 482 . 1 . 1 83 83 THR H H 1 7.971 0.000 . 1 . . . . . 249 THR H . 28105 1 483 . 1 . 1 83 83 THR CA C 13 56.881 0.000 . 1 . . . . . 249 THR CA . 28105 1 484 . 1 . 1 83 83 THR CB C 13 67.722 0.000 . 1 . . . . . 249 THR CB . 28105 1 485 . 1 . 1 83 83 THR N N 15 113.529 0.000 . 1 . . . . . 249 THR N . 28105 1 486 . 1 . 1 85 85 ASN H H 1 7.973 0.000 . 1 . . . . . 251 ASN H . 28105 1 487 . 1 . 1 85 85 ASN C C 13 176.560 0.000 . 1 . . . . . 251 ASN C . 28105 1 488 . 1 . 1 85 85 ASN CA C 13 48.871 0.000 . 1 . . . . . 251 ASN CA . 28105 1 489 . 1 . 1 85 85 ASN CB C 13 38.151 0.000 . 1 . . . . . 251 ASN CB . 28105 1 490 . 1 . 1 85 85 ASN N N 15 114.646 0.000 . 1 . . . . . 251 ASN N . 28105 1 491 . 1 . 1 86 86 PHE H H 1 8.740 0.000 . 1 . . . . . 252 PHE H . 28105 1 492 . 1 . 1 86 86 PHE C C 13 175.798 0.000 . 1 . . . . . 252 PHE C . 28105 1 493 . 1 . 1 86 86 PHE CA C 13 58.306 0.000 . 1 . . . . . 252 PHE CA . 28105 1 494 . 1 . 1 86 86 PHE CB C 13 38.084 0.000 . 1 . . . . . 252 PHE CB . 28105 1 495 . 1 . 1 86 86 PHE N N 15 123.200 0.000 . 1 . . . . . 252 PHE N . 28105 1 496 . 1 . 1 87 87 LYS H H 1 7.785 0.000 . 1 . . . . . 253 LYS H . 28105 1 497 . 1 . 1 87 87 LYS C C 13 178.378 0.000 . 1 . . . . . 253 LYS C . 28105 1 498 . 1 . 1 87 87 LYS CA C 13 59.098 0.000 . 1 . . . . . 253 LYS CA . 28105 1 499 . 1 . 1 87 87 LYS CB C 13 31.743 0.000 . 1 . . . . . 253 LYS CB . 28105 1 500 . 1 . 1 87 87 LYS N N 15 121.532 0.000 . 1 . . . . . 253 LYS N . 28105 1 501 . 1 . 1 88 88 SER H H 1 8.511 0.000 . 1 . . . . . 254 SER H . 28105 1 502 . 1 . 1 88 88 SER C C 13 176.751 0.000 . 1 . . . . . 254 SER C . 28105 1 503 . 1 . 1 88 88 SER CA C 13 59.288 0.000 . 1 . . . . . 254 SER CA . 28105 1 504 . 1 . 1 88 88 SER CB C 13 61.047 0.000 . 1 . . . . . 254 SER CB . 28105 1 505 . 1 . 1 88 88 SER N N 15 112.346 0.000 . 1 . . . . . 254 SER N . 28105 1 506 . 1 . 1 89 89 ASN H H 1 7.891 0.000 . 1 . . . . . 255 ASN H . 28105 1 507 . 1 . 1 89 89 ASN C C 13 175.109 0.000 . 1 . . . . . 255 ASN C . 28105 1 508 . 1 . 1 89 89 ASN CA C 13 53.810 0.000 . 1 . . . . . 255 ASN CA . 28105 1 509 . 1 . 1 89 89 ASN CB C 13 38.952 0.000 . 1 . . . . . 255 ASN CB . 28105 1 510 . 1 . 1 89 89 ASN N N 15 118.702 0.000 . 1 . . . . . 255 ASN N . 28105 1 511 . 1 . 1 90 90 PHE H H 1 6.865 0.000 . 1 . . . . . 256 PHE H . 28105 1 512 . 1 . 1 90 90 PHE C C 13 173.159 0.000 . 1 . . . . . 256 PHE C . 28105 1 513 . 1 . 1 90 90 PHE CA C 13 55.424 0.000 . 1 . . . . . 256 PHE CA . 28105 1 514 . 1 . 1 90 90 PHE CB C 13 39.600 0.000 . 1 . . . . . 256 PHE CB . 28105 1 515 . 1 . 1 90 90 PHE N N 15 113.338 0.000 . 1 . . . . . 256 PHE N . 28105 1 516 . 1 . 1 91 91 ASP H H 1 7.711 0.000 . 1 . . . . . 257 ASP H . 28105 1 517 . 1 . 1 91 91 ASP C C 13 175.182 0.000 . 1 . . . . . 257 ASP C . 28105 1 518 . 1 . 1 91 91 ASP CA C 13 53.873 0.000 . 1 . . . . . 257 ASP CA . 28105 1 519 . 1 . 1 91 91 ASP CB C 13 38.018 0.000 . 1 . . . . . 257 ASP CB . 28105 1 520 . 1 . 1 91 91 ASP N N 15 119.796 0.000 . 1 . . . . . 257 ASP N . 28105 1 521 . 1 . 1 92 92 LEU H H 1 8.032 0.000 . 1 . . . . . 258 LEU H . 28105 1 522 . 1 . 1 92 92 LEU HD11 H 1 0.839 0.000 . 1 . . . . . 258 LEU HD11 . 28105 1 523 . 1 . 1 92 92 LEU HD12 H 1 0.839 0.000 . 1 . . . . . 258 LEU HD12 . 28105 1 524 . 1 . 1 92 92 LEU HD13 H 1 0.839 0.000 . 1 . . . . . 258 LEU HD13 . 28105 1 525 . 1 . 1 92 92 LEU HD21 H 1 0.797 0.000 . 1 . . . . . 258 LEU HD21 . 28105 1 526 . 1 . 1 92 92 LEU HD22 H 1 0.797 0.000 . 1 . . . . . 258 LEU HD22 . 28105 1 527 . 1 . 1 92 92 LEU HD23 H 1 0.797 0.000 . 1 . . . . . 258 LEU HD23 . 28105 1 528 . 1 . 1 92 92 LEU C C 13 177.352 0.000 . 1 . . . . . 258 LEU C . 28105 1 529 . 1 . 1 92 92 LEU CA C 13 52.670 0.000 . 1 . . . . . 258 LEU CA . 28105 1 530 . 1 . 1 92 92 LEU CB C 13 40.754 0.000 . 1 . . . . . 258 LEU CB . 28105 1 531 . 1 . 1 92 92 LEU CD1 C 13 25.606 0.000 . 1 . . . . . 258 LEU CD1 . 28105 1 532 . 1 . 1 92 92 LEU CD2 C 13 21.738 0.000 . 1 . . . . . 258 LEU CD2 . 28105 1 533 . 1 . 1 92 92 LEU N N 15 116.638 0.000 . 1 . . . . . 258 LEU N . 28105 1 534 . 1 . 1 93 93 ALA H H 1 8.476 0.000 . 1 . . . . . 259 ALA H . 28105 1 535 . 1 . 1 93 93 ALA C C 13 178.114 0.000 . 1 . . . . . 259 ALA C . 28105 1 536 . 1 . 1 93 93 ALA CA C 13 52.258 0.000 . 1 . . . . . 259 ALA CA . 28105 1 537 . 1 . 1 93 93 ALA CB C 13 18.077 0.000 . 1 . . . . . 259 ALA CB . 28105 1 538 . 1 . 1 93 93 ALA N N 15 121.833 0.000 . 1 . . . . . 259 ALA N . 28105 1 539 . 1 . 1 94 94 GLU H H 1 7.555 0.000 . 1 . . . . . 260 GLU H . 28105 1 540 . 1 . 1 94 94 GLU C C 13 174.537 0.000 . 1 . . . . . 260 GLU C . 28105 1 541 . 1 . 1 94 94 GLU CA C 13 52.195 0.000 . 1 . . . . . 260 GLU CA . 28105 1 542 . 1 . 1 94 94 GLU CB C 13 31.409 0.000 . 1 . . . . . 260 GLU CB . 28105 1 543 . 1 . 1 94 94 GLU N N 15 115.418 0.000 . 1 . . . . . 260 GLU N . 28105 1 544 . 1 . 1 95 95 ASP H H 1 8.181 0.000 . 1 . . . . . 261 ASP H . 28105 1 545 . 1 . 1 95 95 ASP C C 13 175.534 0.000 . 1 . . . . . 261 ASP C . 28105 1 546 . 1 . 1 95 95 ASP CA C 13 55.140 0.000 . 1 . . . . . 261 ASP CA . 28105 1 547 . 1 . 1 95 95 ASP CB C 13 40.821 0.000 . 1 . . . . . 261 ASP CB . 28105 1 548 . 1 . 1 95 95 ASP N N 15 116.829 0.000 . 1 . . . . . 261 ASP N . 28105 1 549 . 1 . 1 96 96 ALA H H 1 8.243 0.000 . 1 . . . . . 262 ALA H . 28105 1 550 . 1 . 1 96 96 ALA C C 13 175.299 0.000 . 1 . . . . . 262 ALA C . 28105 1 551 . 1 . 1 96 96 ALA CA C 13 49.155 0.000 . 1 . . . . . 262 ALA CA . 28105 1 552 . 1 . 1 96 96 ALA CB C 13 18.793 0.000 . 1 . . . . . 262 ALA CB . 28105 1 553 . 1 . 1 96 96 ALA N N 15 126.605 0.000 . 1 . . . . . 262 ALA N . 28105 1 554 . 1 . 1 97 97 LYS H H 1 8.234 0.000 . 1 . . . . . 263 LYS H . 28105 1 555 . 1 . 1 97 97 LYS C C 13 176.927 0.000 . 1 . . . . . 263 LYS C . 28105 1 556 . 1 . 1 97 97 LYS CA C 13 54.316 0.000 . 1 . . . . . 263 LYS CA . 28105 1 557 . 1 . 1 97 97 LYS CB C 13 31.276 0.000 . 1 . . . . . 263 LYS CB . 28105 1 558 . 1 . 1 97 97 LYS N N 15 123.337 0.000 . 1 . . . . . 263 LYS N . 28105 1 559 . 1 . 1 98 98 LEU H H 1 8.019 0.000 . 1 . . . . . 264 LEU H . 28105 1 560 . 1 . 1 98 98 LEU HD11 H 1 0.714 0.000 . 1 . . . . . 264 LEU HD11 . 28105 1 561 . 1 . 1 98 98 LEU HD12 H 1 0.714 0.000 . 1 . . . . . 264 LEU HD12 . 28105 1 562 . 1 . 1 98 98 LEU HD13 H 1 0.714 0.000 . 1 . . . . . 264 LEU HD13 . 28105 1 563 . 1 . 1 98 98 LEU HD21 H 1 0.720 0.000 . 1 . . . . . 264 LEU HD21 . 28105 1 564 . 1 . 1 98 98 LEU HD22 H 1 0.720 0.000 . 1 . . . . . 264 LEU HD22 . 28105 1 565 . 1 . 1 98 98 LEU HD23 H 1 0.720 0.000 . 1 . . . . . 264 LEU HD23 . 28105 1 566 . 1 . 1 98 98 LEU C C 13 173.511 0.000 . 1 . . . . . 264 LEU C . 28105 1 567 . 1 . 1 98 98 LEU CA C 13 52.416 0.000 . 1 . . . . . 264 LEU CA . 28105 1 568 . 1 . 1 98 98 LEU CB C 13 46.295 0.000 . 1 . . . . . 264 LEU CB . 28105 1 569 . 1 . 1 98 98 LEU CD1 C 13 26.072 0.000 . 1 . . . . . 264 LEU CD1 . 28105 1 570 . 1 . 1 98 98 LEU CD2 C 13 24.456 0.000 . 1 . . . . . 264 LEU CD2 . 28105 1 571 . 1 . 1 98 98 LEU N N 15 124.745 0.000 . 1 . . . . . 264 LEU N . 28105 1 572 . 1 . 1 99 99 GLN H H 1 8.049 0.000 . 1 . . . . . 265 GLN H . 28105 1 573 . 1 . 1 99 99 GLN C C 13 176.208 0.000 . 1 . . . . . 265 GLN C . 28105 1 574 . 1 . 1 99 99 GLN CA C 13 53.588 0.000 . 1 . . . . . 265 GLN CA . 28105 1 575 . 1 . 1 99 99 GLN CB C 13 30.274 0.000 . 1 . . . . . 265 GLN CB . 28105 1 576 . 1 . 1 99 99 GLN N N 15 118.401 0.000 . 1 . . . . . 265 GLN N . 28105 1 577 . 1 . 1 100 100 LEU H H 1 8.617 0.000 . 1 . . . . . 266 LEU H . 28105 1 578 . 1 . 1 100 100 LEU HD11 H 1 1.310 0.000 . 1 . . . . . 266 LEU HD11 . 28105 1 579 . 1 . 1 100 100 LEU HD12 H 1 1.310 0.000 . 1 . . . . . 266 LEU HD12 . 28105 1 580 . 1 . 1 100 100 LEU HD13 H 1 1.310 0.000 . 1 . . . . . 266 LEU HD13 . 28105 1 581 . 1 . 1 100 100 LEU HD21 H 1 1.376 0.000 . 1 . . . . . 266 LEU HD21 . 28105 1 582 . 1 . 1 100 100 LEU HD22 H 1 1.376 0.000 . 1 . . . . . 266 LEU HD22 . 28105 1 583 . 1 . 1 100 100 LEU HD23 H 1 1.376 0.000 . 1 . . . . . 266 LEU HD23 . 28105 1 584 . 1 . 1 100 100 LEU C C 13 177.586 0.000 . 1 . . . . . 266 LEU C . 28105 1 585 . 1 . 1 100 100 LEU CA C 13 56.121 0.000 . 1 . . . . . 266 LEU CA . 28105 1 586 . 1 . 1 100 100 LEU CB C 13 40.621 0.000 . 1 . . . . . 266 LEU CB . 28105 1 587 . 1 . 1 100 100 LEU CD1 C 13 25.171 0.000 . 1 . . . . . 266 LEU CD1 . 28105 1 588 . 1 . 1 100 100 LEU CD2 C 13 26.761 0.000 . 1 . . . . . 266 LEU CD2 . 28105 1 589 . 1 . 1 100 100 LEU N N 15 127.780 0.000 . 1 . . . . . 266 LEU N . 28105 1 590 . 1 . 1 101 101 SER H H 1 8.045 0.000 . 1 . . . . . 267 SER H . 28105 1 591 . 1 . 1 101 101 SER C C 13 174.933 0.000 . 1 . . . . . 267 SER C . 28105 1 592 . 1 . 1 101 101 SER CA C 13 56.944 0.000 . 1 . . . . . 267 SER CA . 28105 1 593 . 1 . 1 101 101 SER CB C 13 61.820 0.000 . 1 . . . . . 267 SER CB . 28105 1 594 . 1 . 1 101 101 SER N N 15 109.173 0.000 . 1 . . . . . 267 SER N . 28105 1 595 . 1 . 1 102 102 LYS H H 1 7.539 0.000 . 1 . . . . . 268 LYS H . 28105 1 596 . 1 . 1 102 102 LYS CA C 13 55.108 0.000 . 1 . . . . . 268 LYS CA . 28105 1 597 . 1 . 1 102 102 LYS CB C 13 32.944 0.000 . 1 . . . . . 268 LYS CB . 28105 1 598 . 1 . 1 102 102 LYS N N 15 124.909 0.000 . 1 . . . . . 268 LYS N . 28105 1 599 . 1 . 1 103 103 ASP H H 1 9.051 0.000 . 1 . . . . . 269 ASP H . 28105 1 600 . 1 . 1 103 103 ASP C C 13 177.279 0.000 . 1 . . . . . 269 ASP C . 28105 1 601 . 1 . 1 103 103 ASP CA C 13 55.381 0.000 . 1 . . . . . 269 ASP CA . 28105 1 602 . 1 . 1 103 103 ASP N N 15 126.968 0.000 . 1 . . . . . 269 ASP N . 28105 1 603 . 1 . 1 104 104 THR H H 1 7.028 0.000 . 1 . . . . . 270 THR H . 28105 1 604 . 1 . 1 104 104 THR C C 13 174.801 0.000 . 1 . . . . . 270 THR C . 28105 1 605 . 1 . 1 104 104 THR CA C 13 60.206 0.000 . 1 . . . . . 270 THR CA . 28105 1 606 . 1 . 1 104 104 THR CB C 13 67.814 0.000 . 1 . . . . . 270 THR CB . 28105 1 607 . 1 . 1 104 104 THR N N 15 107.258 0.000 . 1 . . . . . 270 THR N . 28105 1 608 . 1 . 1 105 105 TYR H H 1 7.856 0.000 . 1 . . . . . 271 TYR H . 28105 1 609 . 1 . 1 105 105 TYR C C 13 175.343 0.000 . 1 . . . . . 271 TYR C . 28105 1 610 . 1 . 1 105 105 TYR CA C 13 61.923 0.000 . 1 . . . . . 271 TYR CA . 28105 1 611 . 1 . 1 105 105 TYR CB C 13 36.749 0.000 . 1 . . . . . 271 TYR CB . 28105 1 612 . 1 . 1 105 105 TYR N N 15 123.665 0.000 . 1 . . . . . 271 TYR N . 28105 1 613 . 1 . 1 106 106 ASP H H 1 8.503 0.000 . 1 . . . . . 272 ASP H . 28105 1 614 . 1 . 1 106 106 ASP C C 13 178.877 0.000 . 1 . . . . . 272 ASP C . 28105 1 615 . 1 . 1 106 106 ASP CA C 13 56.818 0.000 . 1 . . . . . 272 ASP CA . 28105 1 616 . 1 . 1 106 106 ASP CB C 13 38.552 0.000 . 1 . . . . . 272 ASP CB . 28105 1 617 . 1 . 1 106 106 ASP N N 15 116.474 0.000 . 1 . . . . . 272 ASP N . 28105 1 618 . 1 . 1 107 107 ASP H H 1 7.504 0.000 . 1 . . . . . 273 ASP H . 28105 1 619 . 1 . 1 107 107 ASP C C 13 178.056 0.000 . 1 . . . . . 273 ASP C . 28105 1 620 . 1 . 1 107 107 ASP CA C 13 55.583 0.000 . 1 . . . . . 273 ASP CA . 28105 1 621 . 1 . 1 107 107 ASP CB C 13 39.486 0.000 . 1 . . . . . 273 ASP CB . 28105 1 622 . 1 . 1 107 107 ASP N N 15 120.288 0.000 . 1 . . . . . 273 ASP N . 28105 1 623 . 1 . 1 108 108 ASP H H 1 8.723 0.000 . 1 . . . . . 274 ASP H . 28105 1 624 . 1 . 1 108 108 ASP C C 13 179.375 0.000 . 1 . . . . . 274 ASP C . 28105 1 625 . 1 . 1 108 108 ASP CA C 13 55.709 0.000 . 1 . . . . . 274 ASP CA . 28105 1 626 . 1 . 1 108 108 ASP CB C 13 39.019 0.000 . 1 . . . . . 274 ASP CB . 28105 1 627 . 1 . 1 108 108 ASP N N 15 123.843 0.000 . 1 . . . . . 274 ASP N . 28105 1 628 . 1 . 1 109 109 LEU H H 1 8.987 0.000 . 1 . . . . . 275 LEU H . 28105 1 629 . 1 . 1 109 109 LEU HD11 H 1 0.092 0.000 . 1 . . . . . 275 LEU HD11 . 28105 1 630 . 1 . 1 109 109 LEU HD12 H 1 0.092 0.000 . 1 . . . . . 275 LEU HD12 . 28105 1 631 . 1 . 1 109 109 LEU HD13 H 1 0.092 0.000 . 1 . . . . . 275 LEU HD13 . 28105 1 632 . 1 . 1 109 109 LEU HD21 H 1 0.900 0.000 . 1 . . . . . 275 LEU HD21 . 28105 1 633 . 1 . 1 109 109 LEU HD22 H 1 0.900 0.000 . 1 . . . . . 275 LEU HD22 . 28105 1 634 . 1 . 1 109 109 LEU HD23 H 1 0.900 0.000 . 1 . . . . . 275 LEU HD23 . 28105 1 635 . 1 . 1 109 109 LEU C C 13 178.305 0.000 . 1 . . . . . 275 LEU C . 28105 1 636 . 1 . 1 109 109 LEU CA C 13 56.121 0.000 . 1 . . . . . 275 LEU CA . 28105 1 637 . 1 . 1 109 109 LEU CB C 13 38.285 0.000 . 1 . . . . . 275 LEU CB . 28105 1 638 . 1 . 1 109 109 LEU CD1 C 13 22.385 0.000 . 1 . . . . . 275 LEU CD1 . 28105 1 639 . 1 . 1 109 109 LEU CD2 C 13 25.392 0.000 . 1 . . . . . 275 LEU CD2 . 28105 1 640 . 1 . 1 109 109 LEU N N 15 124.280 0.000 . 1 . . . . . 275 LEU N . 28105 1 641 . 1 . 1 110 110 ASP H H 1 7.684 0.000 . 1 . . . . . 276 ASP H . 28105 1 642 . 1 . 1 110 110 ASP C C 13 179.199 0.000 . 1 . . . . . 276 ASP C . 28105 1 643 . 1 . 1 110 110 ASP CA C 13 56.469 0.000 . 1 . . . . . 276 ASP CA . 28105 1 644 . 1 . 1 110 110 ASP CB C 13 39.152 0.000 . 1 . . . . . 276 ASP CB . 28105 1 645 . 1 . 1 110 110 ASP N N 15 120.603 0.000 . 1 . . . . . 276 ASP N . 28105 1 646 . 1 . 1 111 111 ASN H H 1 7.944 0.000 . 1 . . . . . 277 ASN H . 28105 1 647 . 1 . 1 111 111 ASN C C 13 177.806 0.000 . 1 . . . . . 277 ASN C . 28105 1 648 . 1 . 1 111 111 ASN CA C 13 54.693 0.000 . 1 . . . . . 277 ASN CA . 28105 1 649 . 1 . 1 111 111 ASN CB C 13 37.283 0.000 . 1 . . . . . 277 ASN CB . 28105 1 650 . 1 . 1 111 111 ASN N N 15 117.636 0.000 . 1 . . . . . 277 ASN N . 28105 1 651 . 1 . 1 112 112 LEU H H 1 7.512 0.000 . 1 . . . . . 278 LEU H . 28105 1 652 . 1 . 1 112 112 LEU HD11 H 1 0.685 0.000 . 1 . . . . . 278 LEU HD11 . 28105 1 653 . 1 . 1 112 112 LEU HD12 H 1 0.685 0.000 . 1 . . . . . 278 LEU HD12 . 28105 1 654 . 1 . 1 112 112 LEU HD13 H 1 0.685 0.000 . 1 . . . . . 278 LEU HD13 . 28105 1 655 . 1 . 1 112 112 LEU HD21 H 1 0.223 0.000 . 1 . . . . . 278 LEU HD21 . 28105 1 656 . 1 . 1 112 112 LEU HD22 H 1 0.223 0.000 . 1 . . . . . 278 LEU HD22 . 28105 1 657 . 1 . 1 112 112 LEU HD23 H 1 0.223 0.000 . 1 . . . . . 278 LEU HD23 . 28105 1 658 . 1 . 1 112 112 LEU C C 13 179.390 0.000 . 1 . . . . . 278 LEU C . 28105 1 659 . 1 . 1 112 112 LEU CA C 13 56.628 0.000 . 1 . . . . . 278 LEU CA . 28105 1 660 . 1 . 1 112 112 LEU CB C 13 39.353 0.000 . 1 . . . . . 278 LEU CB . 28105 1 661 . 1 . 1 112 112 LEU CD1 C 13 24.011 0.000 . 1 . . . . . 278 LEU CD1 . 28105 1 662 . 1 . 1 112 112 LEU CD2 C 13 27.145 0.000 . 1 . . . . . 278 LEU CD2 . 28105 1 663 . 1 . 1 112 112 LEU N N 15 122.599 0.000 . 1 . . . . . 278 LEU N . 28105 1 664 . 1 . 1 113 113 LEU H H 1 8.912 0.000 . 1 . . . . . 279 LEU H . 28105 1 665 . 1 . 1 113 113 LEU HD11 H 1 0.838 0.000 . 1 . . . . . 279 LEU HD11 . 28105 1 666 . 1 . 1 113 113 LEU HD12 H 1 0.838 0.000 . 1 . . . . . 279 LEU HD12 . 28105 1 667 . 1 . 1 113 113 LEU HD13 H 1 0.838 0.000 . 1 . . . . . 279 LEU HD13 . 28105 1 668 . 1 . 1 113 113 LEU HD21 H 1 0.640 0.000 . 1 . . . . . 279 LEU HD21 . 28105 1 669 . 1 . 1 113 113 LEU HD22 H 1 0.640 0.000 . 1 . . . . . 279 LEU HD22 . 28105 1 670 . 1 . 1 113 113 LEU HD23 H 1 0.640 0.000 . 1 . . . . . 279 LEU HD23 . 28105 1 671 . 1 . 1 113 113 LEU C C 13 179.859 0.000 . 1 . . . . . 279 LEU C . 28105 1 672 . 1 . 1 113 113 LEU CA C 13 55.994 0.000 . 1 . . . . . 279 LEU CA . 28105 1 673 . 1 . 1 113 113 LEU CB C 13 38.752 0.000 . 1 . . . . . 279 LEU CB . 28105 1 674 . 1 . 1 113 113 LEU CD1 C 13 26.033 0.000 . 1 . . . . . 279 LEU CD1 . 28105 1 675 . 1 . 1 113 113 LEU CD2 C 13 21.957 0.000 . 1 . . . . . 279 LEU CD2 . 28105 1 676 . 1 . 1 113 113 LEU N N 15 120.028 0.000 . 1 . . . . . 279 LEU N . 28105 1 677 . 1 . 1 114 114 ALA H H 1 7.953 0.000 . 1 . . . . . 280 ALA H . 28105 1 678 . 1 . 1 114 114 ALA C C 13 179.155 0.000 . 1 . . . . . 280 ALA C . 28105 1 679 . 1 . 1 114 114 ALA CA C 13 53.081 0.000 . 1 . . . . . 280 ALA CA . 28105 1 680 . 1 . 1 114 114 ALA CB C 13 16.724 0.000 . 1 . . . . . 280 ALA CB . 28105 1 681 . 1 . 1 114 114 ALA N N 15 121.396 0.000 . 1 . . . . . 280 ALA N . 28105 1 682 . 1 . 1 115 115 GLN H H 1 7.334 0.000 . 1 . . . . . 281 GLN H . 28105 1 683 . 1 . 1 115 115 GLN C C 13 177.968 0.000 . 1 . . . . . 281 GLN C . 28105 1 684 . 1 . 1 115 115 GLN CA C 13 56.089 0.000 . 1 . . . . . 281 GLN CA . 28105 1 685 . 1 . 1 115 115 GLN CB C 13 29.936 0.000 . 1 . . . . . 281 GLN CB . 28105 1 686 . 1 . 1 115 115 GLN N N 15 113.970 0.000 . 1 . . . . . 281 GLN N . 28105 1 687 . 1 . 1 116 116 ILE H H 1 7.671 0.000 . 1 . . . . . 282 ILE H . 28105 1 688 . 1 . 1 116 116 ILE HD11 H 1 -0.383 0.000 . 1 . . . . . 282 ILE HD11 . 28105 1 689 . 1 . 1 116 116 ILE HD12 H 1 -0.383 0.000 . 1 . . . . . 282 ILE HD12 . 28105 1 690 . 1 . 1 116 116 ILE HD13 H 1 -0.383 0.000 . 1 . . . . . 282 ILE HD13 . 28105 1 691 . 1 . 1 116 116 ILE C C 13 175.915 0.000 . 1 . . . . . 282 ILE C . 28105 1 692 . 1 . 1 116 116 ILE CA C 13 61.346 0.000 . 1 . . . . . 282 ILE CA . 28105 1 693 . 1 . 1 116 116 ILE CB C 13 36.810 0.000 . 1 . . . . . 282 ILE CB . 28105 1 694 . 1 . 1 116 116 ILE CD1 C 13 12.554 0.000 . 1 . . . . . 282 ILE CD1 . 28105 1 695 . 1 . 1 116 116 ILE N N 15 111.141 0.000 . 1 . . . . . 282 ILE N . 28105 1 696 . 1 . 1 117 117 GLY H H 1 8.090 0.000 . 1 . . . . . 283 GLY H . 28105 1 697 . 1 . 1 117 117 GLY C C 13 174.082 0.000 . 1 . . . . . 283 GLY C . 28105 1 698 . 1 . 1 117 117 GLY CA C 13 43.075 0.000 . 1 . . . . . 283 GLY CA . 28105 1 699 . 1 . 1 117 117 GLY N N 15 112.735 0.000 . 1 . . . . . 283 GLY N . 28105 1 700 . 1 . 1 118 118 ASP H H 1 8.217 0.000 . 1 . . . . . 284 ASP H . 28105 1 701 . 1 . 1 118 118 ASP C C 13 178.789 0.000 . 1 . . . . . 284 ASP C . 28105 1 702 . 1 . 1 118 118 ASP CA C 13 55.112 0.000 . 1 . . . . . 284 ASP CA . 28105 1 703 . 1 . 1 118 118 ASP CB C 13 39.219 0.000 . 1 . . . . . 284 ASP CB . 28105 1 704 . 1 . 1 118 118 ASP N N 15 121.245 0.000 . 1 . . . . . 284 ASP N . 28105 1 705 . 1 . 1 119 119 GLN H H 1 9.730 0.000 . 1 . . . . . 285 GLN H . 28105 1 706 . 1 . 1 119 119 GLN C C 13 176.487 0.000 . 1 . . . . . 285 GLN C . 28105 1 707 . 1 . 1 119 119 GLN CA C 13 56.289 0.000 . 1 . . . . . 285 GLN CA . 28105 1 708 . 1 . 1 119 119 GLN CB C 13 24.801 0.000 . 1 . . . . . 285 GLN CB . 28105 1 709 . 1 . 1 119 119 GLN N N 15 121.833 0.000 . 1 . . . . . 285 GLN N . 28105 1 710 . 1 . 1 120 120 TYR H H 1 7.275 0.000 . 1 . . . . . 286 TYR H . 28105 1 711 . 1 . 1 120 120 TYR C C 13 176.296 0.000 . 1 . . . . . 286 TYR C . 28105 1 712 . 1 . 1 120 120 TYR CA C 13 58.496 0.000 . 1 . . . . . 286 TYR CA . 28105 1 713 . 1 . 1 120 120 TYR CB C 13 37.350 0.000 . 1 . . . . . 286 TYR CB . 28105 1 714 . 1 . 1 120 120 TYR N N 15 117.020 0.000 . 1 . . . . . 286 TYR N . 28105 1 715 . 1 . 1 121 121 ALA H H 1 8.014 0.000 . 1 . . . . . 287 ALA H . 28105 1 716 . 1 . 1 121 121 ALA C C 13 180.475 0.000 . 1 . . . . . 287 ALA C . 28105 1 717 . 1 . 1 121 121 ALA CA C 13 55.506 0.000 . 1 . . . . . 287 ALA CA . 28105 1 718 . 1 . 1 121 121 ALA CB C 13 16.924 0.000 . 1 . . . . . 287 ALA CB . 28105 1 719 . 1 . 1 121 121 ALA N N 15 124.321 0.000 . 1 . . . . . 287 ALA N . 28105 1 720 . 1 . 1 122 122 ASP H H 1 8.547 0.000 . 1 . . . . . 288 ASP H . 28105 1 721 . 1 . 1 122 122 ASP C C 13 178.847 0.000 . 1 . . . . . 288 ASP C . 28105 1 722 . 1 . 1 122 122 ASP CA C 13 55.931 0.000 . 1 . . . . . 288 ASP CA . 28105 1 723 . 1 . 1 122 122 ASP CB C 13 38.819 0.000 . 1 . . . . . 288 ASP CB . 28105 1 724 . 1 . 1 122 122 ASP N N 15 117.239 0.000 . 1 . . . . . 288 ASP N . 28105 1 725 . 1 . 1 123 123 LEU H H 1 7.759 0.000 . 1 . . . . . 289 LEU H . 28105 1 726 . 1 . 1 123 123 LEU HD11 H 1 0.841 0.000 . 1 . . . . . 289 LEU HD11 . 28105 1 727 . 1 . 1 123 123 LEU HD12 H 1 0.841 0.000 . 1 . . . . . 289 LEU HD12 . 28105 1 728 . 1 . 1 123 123 LEU HD13 H 1 0.841 0.000 . 1 . . . . . 289 LEU HD13 . 28105 1 729 . 1 . 1 123 123 LEU HD21 H 1 0.476 0.000 . 1 . . . . . 289 LEU HD21 . 28105 1 730 . 1 . 1 123 123 LEU HD22 H 1 0.476 0.000 . 1 . . . . . 289 LEU HD22 . 28105 1 731 . 1 . 1 123 123 LEU HD23 H 1 0.476 0.000 . 1 . . . . . 289 LEU HD23 . 28105 1 732 . 1 . 1 123 123 LEU CA C 13 56.279 0.000 . 1 . . . . . 289 LEU CA . 28105 1 733 . 1 . 1 123 123 LEU CB C 13 40.087 0.000 . 1 . . . . . 289 LEU CB . 28105 1 734 . 1 . 1 123 123 LEU CD1 C 13 26.473 0.000 . 1 . . . . . 289 LEU CD1 . 28105 1 735 . 1 . 1 123 123 LEU CD2 C 13 22.690 0.000 . 1 . . . . . 289 LEU CD2 . 28105 1 736 . 1 . 1 123 123 LEU N N 15 121.888 0.000 . 1 . . . . . 289 LEU N . 28105 1 737 . 1 . 1 125 125 LEU H H 1 8.239 0.000 . 1 . . . . . 291 LEU H . 28105 1 738 . 1 . 1 125 125 LEU HD11 H 1 0.915 0.000 . 1 . . . . . 291 LEU HD11 . 28105 1 739 . 1 . 1 125 125 LEU HD12 H 1 0.915 0.000 . 1 . . . . . 291 LEU HD12 . 28105 1 740 . 1 . 1 125 125 LEU HD13 H 1 0.915 0.000 . 1 . . . . . 291 LEU HD13 . 28105 1 741 . 1 . 1 125 125 LEU HD21 H 1 0.378 0.000 . 1 . . . . . 291 LEU HD21 . 28105 1 742 . 1 . 1 125 125 LEU HD22 H 1 0.378 0.000 . 1 . . . . . 291 LEU HD22 . 28105 1 743 . 1 . 1 125 125 LEU HD23 H 1 0.378 0.000 . 1 . . . . . 291 LEU HD23 . 28105 1 744 . 1 . 1 125 125 LEU C C 13 178.129 0.000 . 1 . . . . . 291 LEU C . 28105 1 745 . 1 . 1 125 125 LEU CA C 13 56.881 0.000 . 1 . . . . . 291 LEU CA . 28105 1 746 . 1 . 1 125 125 LEU CB C 13 39.820 0.000 . 1 . . . . . 291 LEU CB . 28105 1 747 . 1 . 1 125 125 LEU CD1 C 13 27.430 0.000 . 1 . . . . . 291 LEU CD1 . 28105 1 748 . 1 . 1 125 125 LEU CD2 C 13 22.986 0.000 . 1 . . . . . 291 LEU CD2 . 28105 1 749 . 1 . 1 125 125 LEU N N 15 125.073 0.000 . 1 . . . . . 291 LEU N . 28105 1 750 . 1 . 1 126 126 ALA H H 1 8.001 0.000 . 1 . . . . . 292 ALA H . 28105 1 751 . 1 . 1 126 126 ALA C C 13 181.486 0.000 . 1 . . . . . 292 ALA C . 28105 1 752 . 1 . 1 126 126 ALA CA C 13 53.461 0.000 . 1 . . . . . 292 ALA CA . 28105 1 753 . 1 . 1 126 126 ALA CB C 13 15.990 0.000 . 1 . . . . . 292 ALA CB . 28105 1 754 . 1 . 1 126 126 ALA N N 15 120.685 0.000 . 1 . . . . . 292 ALA N . 28105 1 755 . 1 . 1 127 127 ALA H H 1 7.828 0.000 . 1 . . . . . 293 ALA H . 28105 1 756 . 1 . 1 127 127 ALA C C 13 179.199 0.000 . 1 . . . . . 293 ALA C . 28105 1 757 . 1 . 1 127 127 ALA CA C 13 53.660 0.000 . 1 . . . . . 293 ALA CA . 28105 1 758 . 1 . 1 127 127 ALA CB C 13 16.657 0.000 . 1 . . . . . 293 ALA CB . 28105 1 759 . 1 . 1 127 127 ALA N N 15 122.859 0.000 . 1 . . . . . 293 ALA N . 28105 1 760 . 1 . 1 128 128 LYS H H 1 8.001 0.000 . 1 . . . . . 294 LYS H . 28105 1 761 . 1 . 1 128 128 LYS C C 13 178.422 0.000 . 1 . . . . . 294 LYS C . 28105 1 762 . 1 . 1 128 128 LYS CA C 13 58.021 0.000 . 1 . . . . . 294 LYS CA . 28105 1 763 . 1 . 1 128 128 LYS CB C 13 30.208 0.000 . 1 . . . . . 294 LYS CB . 28105 1 764 . 1 . 1 128 128 LYS N N 15 122.708 0.000 . 1 . . . . . 294 LYS N . 28105 1 765 . 1 . 1 129 129 ASN H H 1 8.608 0.000 . 1 . . . . . 295 ASN H . 28105 1 766 . 1 . 1 129 129 ASN C C 13 178.319 0.000 . 1 . . . . . 295 ASN C . 28105 1 767 . 1 . 1 129 129 ASN CA C 13 54.443 0.000 . 1 . . . . . 295 ASN CA . 28105 1 768 . 1 . 1 129 129 ASN CB C 13 36.015 0.000 . 1 . . . . . 295 ASN CB . 28105 1 769 . 1 . 1 129 129 ASN N N 15 118.935 0.000 . 1 . . . . . 295 ASN N . 28105 1 770 . 1 . 1 130 130 LEU H H 1 7.768 0.000 . 1 . . . . . 296 LEU H . 28105 1 771 . 1 . 1 130 130 LEU HD11 H 1 1.064 0.000 . 1 . . . . . 296 LEU HD11 . 28105 1 772 . 1 . 1 130 130 LEU HD12 H 1 1.064 0.000 . 1 . . . . . 296 LEU HD12 . 28105 1 773 . 1 . 1 130 130 LEU HD13 H 1 1.064 0.000 . 1 . . . . . 296 LEU HD13 . 28105 1 774 . 1 . 1 130 130 LEU HD21 H 1 1.031 0.000 . 1 . . . . . 296 LEU HD21 . 28105 1 775 . 1 . 1 130 130 LEU HD22 H 1 1.031 0.000 . 1 . . . . . 296 LEU HD22 . 28105 1 776 . 1 . 1 130 130 LEU HD23 H 1 1.031 0.000 . 1 . . . . . 296 LEU HD23 . 28105 1 777 . 1 . 1 130 130 LEU C C 13 177.161 0.000 . 1 . . . . . 296 LEU C . 28105 1 778 . 1 . 1 130 130 LEU CA C 13 56.659 0.000 . 1 . . . . . 296 LEU CA . 28105 1 779 . 1 . 1 130 130 LEU CB C 13 39.620 0.000 . 1 . . . . . 296 LEU CB . 28105 1 780 . 1 . 1 130 130 LEU CD1 C 13 24.397 0.000 . 1 . . . . . 296 LEU CD1 . 28105 1 781 . 1 . 1 130 130 LEU CD2 C 13 26.676 0.000 . 1 . . . . . 296 LEU CD2 . 28105 1 782 . 1 . 1 130 130 LEU N N 15 120.493 0.000 . 1 . . . . . 296 LEU N . 28105 1 783 . 1 . 1 131 131 SER H H 1 7.959 0.000 . 1 . . . . . 297 SER H . 28105 1 784 . 1 . 1 131 131 SER C C 13 177.161 0.000 . 1 . . . . . 297 SER C . 28105 1 785 . 1 . 1 131 131 SER CA C 13 59.482 0.000 . 1 . . . . . 297 SER CA . 28105 1 786 . 1 . 1 131 131 SER CB C 13 62.115 0.000 . 1 . . . . . 297 SER CB . 28105 1 787 . 1 . 1 131 131 SER N N 15 114.953 0.000 . 1 . . . . . 297 SER N . 28105 1 788 . 1 . 1 132 132 ASP H H 1 7.851 0.000 . 1 . . . . . 298 ASP H . 28105 1 789 . 1 . 1 132 132 ASP C C 13 178.100 0.000 . 1 . . . . . 298 ASP C . 28105 1 790 . 1 . 1 132 132 ASP CA C 13 55.868 0.000 . 1 . . . . . 298 ASP CA . 28105 1 791 . 1 . 1 132 132 ASP CB C 13 39.019 0.000 . 1 . . . . . 298 ASP CB . 28105 1 792 . 1 . 1 132 132 ASP N N 15 119.427 0.000 . 1 . . . . . 298 ASP N . 28105 1 793 . 1 . 1 133 133 ALA H H 1 7.262 0.000 . 1 . . . . . 299 ALA H . 28105 1 794 . 1 . 1 133 133 ALA C C 13 180.211 0.000 . 1 . . . . . 299 ALA C . 28105 1 795 . 1 . 1 133 133 ALA CA C 13 53.208 0.000 . 1 . . . . . 299 ALA CA . 28105 1 796 . 1 . 1 133 133 ALA CB C 13 17.658 0.000 . 1 . . . . . 299 ALA CB . 28105 1 797 . 1 . 1 133 133 ALA N N 15 121.177 0.000 . 1 . . . . . 299 ALA N . 28105 1 798 . 1 . 1 134 134 ILE H H 1 8.265 0.000 . 1 . . . . . 300 ILE H . 28105 1 799 . 1 . 1 134 134 ILE HD11 H 1 0.792 0.000 . 1 . . . . . 300 ILE HD11 . 28105 1 800 . 1 . 1 134 134 ILE HD12 H 1 0.792 0.000 . 1 . . . . . 300 ILE HD12 . 28105 1 801 . 1 . 1 134 134 ILE HD13 H 1 0.792 0.000 . 1 . . . . . 300 ILE HD13 . 28105 1 802 . 1 . 1 134 134 ILE C C 13 178.965 0.000 . 1 . . . . . 300 ILE C . 28105 1 803 . 1 . 1 134 134 ILE CA C 13 64.069 0.000 . 1 . . . . . 300 ILE CA . 28105 1 804 . 1 . 1 134 134 ILE CB C 13 36.883 0.000 . 1 . . . . . 300 ILE CB . 28105 1 805 . 1 . 1 134 134 ILE CD1 C 13 14.531 0.000 . 1 . . . . . 300 ILE CD1 . 28105 1 806 . 1 . 1 134 134 ILE N N 15 121.136 0.000 . 1 . . . . . 300 ILE N . 28105 1 807 . 1 . 1 135 135 LEU H H 1 8.331 0.000 . 1 . . . . . 301 LEU H . 28105 1 808 . 1 . 1 135 135 LEU C C 13 179.683 0.000 . 1 . . . . . 301 LEU C . 28105 1 809 . 1 . 1 135 135 LEU CA C 13 56.438 0.000 . 1 . . . . . 301 LEU CA . 28105 1 810 . 1 . 1 135 135 LEU CB C 13 40.087 0.000 . 1 . . . . . 301 LEU CB . 28105 1 811 . 1 . 1 135 135 LEU N N 15 121.122 0.000 . 1 . . . . . 301 LEU N . 28105 1 812 . 1 . 1 136 136 LEU H H 1 7.715 0.000 . 1 . . . . . 302 LEU H . 28105 1 813 . 1 . 1 136 136 LEU HD11 H 1 0.923 0.000 . 1 . . . . . 302 LEU HD11 . 28105 1 814 . 1 . 1 136 136 LEU HD12 H 1 0.923 0.000 . 1 . . . . . 302 LEU HD12 . 28105 1 815 . 1 . 1 136 136 LEU HD13 H 1 0.923 0.000 . 1 . . . . . 302 LEU HD13 . 28105 1 816 . 1 . 1 136 136 LEU HD21 H 1 0.919 0.000 . 1 . . . . . 302 LEU HD21 . 28105 1 817 . 1 . 1 136 136 LEU HD22 H 1 0.919 0.000 . 1 . . . . . 302 LEU HD22 . 28105 1 818 . 1 . 1 136 136 LEU HD23 H 1 0.919 0.000 . 1 . . . . . 302 LEU HD23 . 28105 1 819 . 1 . 1 136 136 LEU C C 13 178.613 0.000 . 1 . . . . . 302 LEU C . 28105 1 820 . 1 . 1 136 136 LEU CA C 13 55.475 0.000 . 1 . . . . . 302 LEU CA . 28105 1 821 . 1 . 1 136 136 LEU CB C 13 40.324 0.000 . 1 . . . . . 302 LEU CB . 28105 1 822 . 1 . 1 136 136 LEU CD1 C 13 24.839 0.000 . 1 . . . . . 302 LEU CD1 . 28105 1 823 . 1 . 1 136 136 LEU CD2 C 13 23.627 0.000 . 1 . . . . . 302 LEU CD2 . 28105 1 824 . 1 . 1 136 136 LEU N N 15 119.222 0.000 . 1 . . . . . 302 LEU N . 28105 1 825 . 1 . 1 137 137 SER H H 1 7.661 0.000 . 1 . . . . . 303 SER H . 28105 1 826 . 1 . 1 137 137 SER C C 13 175.035 0.000 . 1 . . . . . 303 SER C . 28105 1 827 . 1 . 1 137 137 SER CA C 13 58.844 0.000 . 1 . . . . . 303 SER CA . 28105 1 828 . 1 . 1 137 137 SER CB C 13 62.182 0.000 . 1 . . . . . 303 SER CB . 28105 1 829 . 1 . 1 137 137 SER N N 15 113.852 0.000 . 1 . . . . . 303 SER N . 28105 1 830 . 1 . 1 138 138 ASP H H 1 7.777 0.000 . 1 . . . . . 304 ASP H . 28105 1 831 . 1 . 1 138 138 ASP C C 13 176.839 0.000 . 1 . . . . . 304 ASP C . 28105 1 832 . 1 . 1 138 138 ASP CA C 13 53.810 0.000 . 1 . . . . . 304 ASP CA . 28105 1 833 . 1 . 1 138 138 ASP CB C 13 40.087 0.000 . 1 . . . . . 304 ASP CB . 28105 1 834 . 1 . 1 138 138 ASP N N 15 121.792 0.000 . 1 . . . . . 304 ASP N . 28105 1 835 . 1 . 1 139 139 ILE H H 1 7.631 0.000 . 1 . . . . . 305 ILE H . 28105 1 836 . 1 . 1 139 139 ILE HD11 H 1 0.903 0.000 . 1 . . . . . 305 ILE HD11 . 28105 1 837 . 1 . 1 139 139 ILE HD12 H 1 0.903 0.000 . 1 . . . . . 305 ILE HD12 . 28105 1 838 . 1 . 1 139 139 ILE HD13 H 1 0.903 0.000 . 1 . . . . . 305 ILE HD13 . 28105 1 839 . 1 . 1 139 139 ILE C C 13 176.443 0.000 . 1 . . . . . 305 ILE C . 28105 1 840 . 1 . 1 139 139 ILE CA C 13 60.554 0.000 . 1 . . . . . 305 ILE CA . 28105 1 841 . 1 . 1 139 139 ILE CB C 13 37.283 0.000 . 1 . . . . . 305 ILE CB . 28105 1 842 . 1 . 1 139 139 ILE CD1 C 13 13.334 0.000 . 1 . . . . . 305 ILE CD1 . 28105 1 843 . 1 . 1 139 139 ILE N N 15 118.935 0.000 . 1 . . . . . 305 ILE N . 28105 1 844 . 1 . 1 140 140 LEU H H 1 7.966 0.000 . 1 . . . . . 306 LEU H . 28105 1 845 . 1 . 1 140 140 LEU HD11 H 1 0.957 0.000 . 1 . . . . . 306 LEU HD11 . 28105 1 846 . 1 . 1 140 140 LEU HD12 H 1 0.957 0.000 . 1 . . . . . 306 LEU HD12 . 28105 1 847 . 1 . 1 140 140 LEU HD13 H 1 0.957 0.000 . 1 . . . . . 306 LEU HD13 . 28105 1 848 . 1 . 1 140 140 LEU HD21 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD21 . 28105 1 849 . 1 . 1 140 140 LEU HD22 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD22 . 28105 1 850 . 1 . 1 140 140 LEU HD23 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD23 . 28105 1 851 . 1 . 1 140 140 LEU C C 13 176.252 0.000 . 1 . . . . . 306 LEU C . 28105 1 852 . 1 . 1 140 140 LEU CA C 13 53.715 0.000 . 1 . . . . . 306 LEU CA . 28105 1 853 . 1 . 1 140 140 LEU CB C 13 40.220 0.000 . 1 . . . . . 306 LEU CB . 28105 1 854 . 1 . 1 140 140 LEU CD1 C 13 25.202 0.000 . 1 . . . . . 306 LEU CD1 . 28105 1 855 . 1 . 1 140 140 LEU CD2 C 13 23.105 0.000 . 1 . . . . . 306 LEU CD2 . 28105 1 856 . 1 . 1 140 140 LEU N N 15 124.663 0.000 . 1 . . . . . 306 LEU N . 28105 1 857 . 1 . 1 141 141 ARG H H 1 7.636 0.000 . 1 . . . . . 307 ARG H . 28105 1 858 . 1 . 1 141 141 ARG CA C 13 56.058 0.000 . 1 . . . . . 307 ARG CA . 28105 1 859 . 1 . 1 141 141 ARG CB C 13 29.874 0.000 . 1 . . . . . 307 ARG CB . 28105 1 860 . 1 . 1 141 141 ARG N N 15 127.193 0.000 . 1 . . . . . 307 ARG N . 28105 1 stop_ save_