data_6265 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6265 _Entry.Title ; Structure and Biochemical Function of a Prototypical Arabidopsis U-box Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-16 _Entry.Accession_date 2004-07-16 _Entry.Last_release_date 2005-02-08 _Entry.Original_release_date 2005-02-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 P. Andersen . . . 6265 2 B. Kragelund . B. . 6265 3 A. Olsen . N. . 6265 4 F. Larsen . H. . 6265 5 N.-H. Chua . . . 6265 6 F. Poulsen . M. . 6265 7 K. Skriver . . . 6265 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6265 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 6265 '15N chemical shifts' 63 6265 '1H chemical shifts' 498 6265 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-02-08 2004-07-16 original author . 6265 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1T1H 'BMRB Entry Tracking System' 6265 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6265 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15231834 _Citation.Full_citation . _Citation.Title 'Structure and Biochemical Function of a Prototypical Arabidopsis U-box Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 38 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 40053 _Citation.Page_last 40061 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Andersen . . . 6265 1 2 B. Kragelund . B. . 6265 1 3 A. Olsen . N. . 6265 1 4 F. Larsen . H. . 6265 1 5 N.-H. Chua . . . 6265 1 6 F. Poulsen . M. . 6265 1 7 K. Skriver . . . 6265 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ARABIDOPSIS 6265 1 'E3 LIGASE' 6265 1 NMR 6265 1 'UBIQUITIN LIGASE' 6265 1 U-BOX 6265 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_UBOX _Assembly.Sf_category assembly _Assembly.Sf_framecode system_UBOX _Assembly.Entry_ID 6265 _Assembly.ID 1 _Assembly.Name 'armadillo repeat and U-box containing protein' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6265 1 stop_ 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 PUB14 1 $UBOX . . . native . . . . . 6265 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 . PDB 1T1H . . . . . . 6265 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'armadillo repeat and U-box containing protein' system 6265 1 'ARM & UBOX' abbreviation 6265 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBOX _Entity.Sf_category entity _Entity.Sf_framecode UBOX _Entity.Entry_ID 6265 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PUB14 _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 ; GSPEFPEYFRCPISLELMKD PVIVSTGQTYERSSIQKWLD AGHKTCPKSQETLLHAGLTP NYVLKSLIALWCESNGIE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1T1H . "Nmr Solution Structure Of The U Box Domain From Atpub14, An Armadillo Repeat Containing Protein From Arabidopsis Thaliana" . . . . . 100.00 78 100.00 100.00 4.99e-50 . . . . 6265 1 2 no DBJ BAH57001 . "AT3G54850 [Arabidopsis thaliana]" . . . . . 98.72 371 97.40 97.40 1.05e-45 . . . . 6265 1 3 no GB AAL38755 . "unknown protein [Arabidopsis thaliana]" . . . . . 98.72 632 97.40 97.40 3.42e-46 . . . . 6265 1 4 no GB AAM20180 . "unknown protein [Arabidopsis thaliana]" . . . . . 98.72 632 97.40 97.40 3.42e-46 . . . . 6265 1 5 no GB AEE79300 . "U-box domain-containing protein 14 [Arabidopsis thaliana]" . . . . . 98.72 632 97.40 97.40 3.42e-46 . . . . 6265 1 6 no GB EFH52534 . "armadillo/beta-catenin repeat family protein [Arabidopsis lyrata subsp. lyrata]" . . . . . 98.72 631 97.40 97.40 1.82e-46 . . . . 6265 1 7 no REF NP_191045 . "U-box domain-containing protein 14 [Arabidopsis thaliana]" . . . . . 98.72 632 97.40 97.40 3.42e-46 . . . . 6265 1 8 no REF XP_002876275 . "armadillo/beta-catenin repeat family protein [Arabidopsis lyrata subsp. lyrata]" . . . . . 98.72 631 97.40 97.40 1.82e-46 . . . . 6265 1 9 no REF XP_010427209 . "PREDICTED: U-box domain-containing protein 14-like [Camelina sativa]" . . . . . 98.72 632 97.40 97.40 8.64e-47 . . . . 6265 1 10 no REF XP_010504312 . "PREDICTED: U-box domain-containing protein 14 [Camelina sativa]" . . . . . 98.72 631 97.40 97.40 8.60e-47 . . . . 6265 1 11 no REF XP_010516027 . "PREDICTED: U-box domain-containing protein 14-like [Camelina sativa]" . . . . . 98.72 631 97.40 97.40 8.60e-47 . . . . 6265 1 12 no SP Q8VZ40 . "RecName: Full=U-box domain-containing protein 14; AltName: Full=E3 ubiquitin-protein ligase PUB14; AltName: Full=Plant U-box pr" . . . . . 98.72 632 97.40 97.40 3.42e-46 . . . . 6265 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PUB14 abbreviation 6265 1 PUB14 common 6265 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 244 GLY . 6265 1 2 245 SER . 6265 1 3 246 PRO . 6265 1 4 247 GLU . 6265 1 5 248 PHE . 6265 1 6 249 PRO . 6265 1 7 250 GLU . 6265 1 8 251 TYR . 6265 1 9 252 PHE . 6265 1 10 253 ARG . 6265 1 11 254 CYS . 6265 1 12 255 PRO . 6265 1 13 256 ILE . 6265 1 14 257 SER . 6265 1 15 258 LEU . 6265 1 16 259 GLU . 6265 1 17 260 LEU . 6265 1 18 261 MET . 6265 1 19 262 LYS . 6265 1 20 263 ASP . 6265 1 21 264 PRO . 6265 1 22 265 VAL . 6265 1 23 266 ILE . 6265 1 24 267 VAL . 6265 1 25 268 SER . 6265 1 26 269 THR . 6265 1 27 270 GLY . 6265 1 28 271 GLN . 6265 1 29 272 THR . 6265 1 30 273 TYR . 6265 1 31 274 GLU . 6265 1 32 275 ARG . 6265 1 33 276 SER . 6265 1 34 277 SER . 6265 1 35 278 ILE . 6265 1 36 279 GLN . 6265 1 37 280 LYS . 6265 1 38 281 TRP . 6265 1 39 282 LEU . 6265 1 40 283 ASP . 6265 1 41 284 ALA . 6265 1 42 285 GLY . 6265 1 43 286 HIS . 6265 1 44 287 LYS . 6265 1 45 288 THR . 6265 1 46 289 CYS . 6265 1 47 290 PRO . 6265 1 48 291 LYS . 6265 1 49 292 SER . 6265 1 50 293 GLN . 6265 1 51 294 GLU . 6265 1 52 295 THR . 6265 1 53 296 LEU . 6265 1 54 297 LEU . 6265 1 55 298 HIS . 6265 1 56 299 ALA . 6265 1 57 300 GLY . 6265 1 58 301 LEU . 6265 1 59 302 THR . 6265 1 60 303 PRO . 6265 1 61 304 ASN . 6265 1 62 305 TYR . 6265 1 63 306 VAL . 6265 1 64 307 LEU . 6265 1 65 308 LYS . 6265 1 66 309 SER . 6265 1 67 310 LEU . 6265 1 68 311 ILE . 6265 1 69 312 ALA . 6265 1 70 313 LEU . 6265 1 71 314 TRP . 6265 1 72 315 CYS . 6265 1 73 316 GLU . 6265 1 74 317 SER . 6265 1 75 318 ASN . 6265 1 76 319 GLY . 6265 1 77 320 ILE . 6265 1 78 321 GLU . 6265 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6265 1 . SER 2 2 6265 1 . PRO 3 3 6265 1 . GLU 4 4 6265 1 . PHE 5 5 6265 1 . PRO 6 6 6265 1 . GLU 7 7 6265 1 . TYR 8 8 6265 1 . PHE 9 9 6265 1 . ARG 10 10 6265 1 . CYS 11 11 6265 1 . PRO 12 12 6265 1 . ILE 13 13 6265 1 . SER 14 14 6265 1 . LEU 15 15 6265 1 . GLU 16 16 6265 1 . LEU 17 17 6265 1 . MET 18 18 6265 1 . LYS 19 19 6265 1 . ASP 20 20 6265 1 . PRO 21 21 6265 1 . VAL 22 22 6265 1 . ILE 23 23 6265 1 . VAL 24 24 6265 1 . SER 25 25 6265 1 . THR 26 26 6265 1 . GLY 27 27 6265 1 . GLN 28 28 6265 1 . THR 29 29 6265 1 . TYR 30 30 6265 1 . GLU 31 31 6265 1 . ARG 32 32 6265 1 . SER 33 33 6265 1 . SER 34 34 6265 1 . ILE 35 35 6265 1 . GLN 36 36 6265 1 . LYS 37 37 6265 1 . TRP 38 38 6265 1 . LEU 39 39 6265 1 . ASP 40 40 6265 1 . ALA 41 41 6265 1 . GLY 42 42 6265 1 . HIS 43 43 6265 1 . LYS 44 44 6265 1 . THR 45 45 6265 1 . CYS 46 46 6265 1 . PRO 47 47 6265 1 . LYS 48 48 6265 1 . SER 49 49 6265 1 . GLN 50 50 6265 1 . GLU 51 51 6265 1 . THR 52 52 6265 1 . LEU 53 53 6265 1 . LEU 54 54 6265 1 . HIS 55 55 6265 1 . ALA 56 56 6265 1 . GLY 57 57 6265 1 . LEU 58 58 6265 1 . THR 59 59 6265 1 . PRO 60 60 6265 1 . ASN 61 61 6265 1 . TYR 62 62 6265 1 . VAL 63 63 6265 1 . LEU 64 64 6265 1 . LYS 65 65 6265 1 . SER 66 66 6265 1 . LEU 67 67 6265 1 . ILE 68 68 6265 1 . ALA 69 69 6265 1 . LEU 70 70 6265 1 . TRP 71 71 6265 1 . CYS 72 72 6265 1 . GLU 73 73 6265 1 . SER 74 74 6265 1 . ASN 75 75 6265 1 . GLY 76 76 6265 1 . ILE 77 77 6265 1 . GLU 78 78 6265 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 6265 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UBOX . 8754 . . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6265 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 6265 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UBOX . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PGEX-4T-1 . . . . . . 6265 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6265 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 PUB14 '[U-15N; U-13C]' . . 1 $UBOX . . 0.9 . . mM . . . . 6265 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6265 1 3 NaCl . . . . . . . 0.15 . . M . . . . 6265 1 4 DTT . . . . . . . 1 . . mM . . . . 6265 1 5 D20 . . . . . . . 10 . . % . . . . 6265 1 6 H20 . . . . . . . 90 . . % . . . . 6265 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6265 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 PUB14 '[U-15N; U-13C]' . . 1 $UBOX . . 0.6 . . mM . . . . 6265 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6265 2 3 NaCl . . . . . . . 0.15 . . M . . . . 6265 2 4 DTT . . . . . . . 1 . . mM . . . . 6265 2 5 D20 . . . . . . . 10 . . % . . . . 6265 2 6 H20 . . . . . . . 90 . . % . . . . 6265 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6265 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 PUB14 [U-15N] . . 1 $UBOX . . 0.6 . . mM . . . . 6265 3 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6265 3 3 NaCl . . . . . . . 0.15 . . M . . . . 6265 3 4 DTT . . . . . . . 1 . . mM . . . . 6265 3 5 D20 . . . . . . . 10 . . % . . . . 6265 3 6 H20 . . . . . . . 90 . . % . . . . 6265 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6265 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 PUB14 '[U-15N; U-13C]' . . 1 $UBOX . . 0.4 . . mM . . . . 6265 4 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6265 4 3 NaCl . . . . . . . 0.15 . . M . . . . 6265 4 4 DTT . . . . . . . 1 . . mM . . . . 6265 4 5 D20 . . . . . . . 99.96 . . % . . . . 6265 4 6 H20 . . . . . . . 0.04 . . % . . . . 6265 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6265 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.17 . M 6265 1 pH 7.5 . n/a 6265 1 pressure 1 . atm 6265 1 temperature 298 . K 6265 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6265 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6265 1 stop_ save_ save_PRONTO _Software.Sf_category software _Software.Sf_framecode PRONTO _Software.Entry_ID 6265 _Software.ID 2 _Software.Name PRONTO _Software.Version 20020517 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6265 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6265 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 6265 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6265 _Software.ID 4 _Software.Name X-PLOR _Software.Version V3.840 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 6265 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6265 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6265 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6265 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'UNITY INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6265 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian 'UNITY INOVA' . 800 . . . 6265 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 6265 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 6 (HB)CB(CGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 7 '3D 15N-separated TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 8 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 9 '3D 13C-separated TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 10 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6265 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name (HB)CB(CGCD)HD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 15N-separated TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 13C-separated TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6265 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6265 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . . . . . 6265 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 6265 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 6265 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6265 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6265 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 6265 1 2 . 1 1 2 2 SER HA H 1 4.89 0.02 . 1 . . . . . . . . 6265 1 3 . 1 1 2 2 SER CA C 13 56.63 0.20 . 1 . . . . . . . . 6265 1 4 . 1 1 2 2 SER HB3 H 1 3.97 0.02 . 2 . . . . . . . . 6265 1 5 . 1 1 2 2 SER CB C 13 63.16 0.20 . 1 . . . . . . . . 6265 1 6 . 1 1 3 3 PRO HA H 1 4.54 0.02 . 1 . . . . . . . . 6265 1 7 . 1 1 3 3 PRO CA C 13 63.15 0.20 . 1 . . . . . . . . 6265 1 8 . 1 1 3 3 PRO HB3 H 1 2.33 0.02 . 2 . . . . . . . . 6265 1 9 . 1 1 3 3 PRO HB2 H 1 1.92 0.02 . 2 . . . . . . . . 6265 1 10 . 1 1 3 3 PRO HG2 H 1 2.08 0.02 . 2 . . . . . . . . 6265 1 11 . 1 1 3 3 PRO HD2 H 1 3.78 0.02 . 2 . . . . . . . . 6265 1 12 . 1 1 3 3 PRO HD3 H 1 3.91 0.02 . 2 . . . . . . . . 6265 1 13 . 1 1 3 3 PRO CD C 13 50.69 0.20 . 1 . . . . . . . . 6265 1 14 . 1 1 3 3 PRO CB C 13 32.12 0.20 . 1 . . . . . . . . 6265 1 15 . 1 1 3 3 PRO CG C 13 27.48 0.20 . 1 . . . . . . . . 6265 1 16 . 1 1 5 5 PHE HE1 H 1 7.37 0.02 . 3 . . . . . . . . 6265 1 17 . 1 1 5 5 PHE CE1 C 13 131.45 0.20 . 3 . . . . . . . . 6265 1 18 . 1 1 5 5 PHE HD1 H 1 7.14 0.02 . 3 . . . . . . . . 6265 1 19 . 1 1 5 5 PHE CD1 C 13 132.56 0.20 . 3 . . . . . . . . 6265 1 20 . 1 1 5 5 PHE HZ H 1 7.37 0.02 . 1 . . . . . . . . 6265 1 21 . 1 1 5 5 PHE CZ C 13 130.34 0.20 . 1 . . . . . . . . 6265 1 22 . 1 1 5 5 PHE HA H 1 4.54 0.02 . 1 . . . . . . . . 6265 1 23 . 1 1 5 5 PHE CA C 13 54.98 0.20 . 1 . . . . . . . . 6265 1 24 . 1 1 5 5 PHE HB2 H 1 2.52 0.02 . 2 . . . . . . . . 6265 1 25 . 1 1 5 5 PHE CB C 13 37.76 0.20 . 1 . . . . . . . . 6265 1 26 . 1 1 7 7 GLU CA C 13 55.76 0.20 . 1 . . . . . . . . 6265 1 27 . 1 1 7 7 GLU CB C 13 30.27 0.20 . 1 . . . . . . . . 6265 1 28 . 1 1 7 7 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 6265 1 29 . 1 1 7 7 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 6265 1 30 . 1 1 7 7 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 6265 1 31 . 1 1 7 7 GLU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6265 1 32 . 1 1 7 7 GLU HG2 H 1 2.21 0.02 . 2 . . . . . . . . 6265 1 33 . 1 1 7 7 GLU CG C 13 36.25 0.20 . 1 . . . . . . . . 6265 1 34 . 1 1 8 8 TYR CB C 13 37.34 0.20 . 1 . . . . . . . . 6265 1 35 . 1 1 8 8 TYR CA C 13 58.11 0.20 . 1 . . . . . . . . 6265 1 36 . 1 1 8 8 TYR HE1 H 1 6.70 0.02 . 3 . . . . . . . . 6265 1 37 . 1 1 8 8 TYR HD1 H 1 6.97 0.02 . 3 . . . . . . . . 6265 1 38 . 1 1 8 8 TYR CE1 C 13 118.78 0.20 . 3 . . . . . . . . 6265 1 39 . 1 1 8 8 TYR CD1 C 13 132.59 0.20 . 3 . . . . . . . . 6265 1 40 . 1 1 8 8 TYR HA H 1 4.38 0.02 . 1 . . . . . . . . 6265 1 41 . 1 1 8 8 TYR HB3 H 1 3.14 0.02 . 2 . . . . . . . . 6265 1 42 . 1 1 8 8 TYR HB2 H 1 2.51 0.02 . 2 . . . . . . . . 6265 1 43 . 1 1 9 9 PHE H H 1 7.48 0.02 . 1 . . . . . . . . 6265 1 44 . 1 1 9 9 PHE N N 15 115.87 0.15 . 1 . . . . . . . . 6265 1 45 . 1 1 9 9 PHE CA C 13 53.51 0.20 . 1 . . . . . . . . 6265 1 46 . 1 1 9 9 PHE CB C 13 37.68 0.20 . 1 . . . . . . . . 6265 1 47 . 1 1 9 9 PHE HA H 1 4.75 0.02 . 1 . . . . . . . . 6265 1 48 . 1 1 9 9 PHE HB2 H 1 2.88 0.02 . 2 . . . . . . . . 6265 1 49 . 1 1 9 9 PHE HB3 H 1 3.39 0.02 . 2 . . . . . . . . 6265 1 50 . 1 1 9 9 PHE HD1 H 1 6.55 0.02 . 3 . . . . . . . . 6265 1 51 . 1 1 9 9 PHE CD1 C 13 129.03 0.20 . 3 . . . . . . . . 6265 1 52 . 1 1 9 9 PHE HZ H 1 7.08 0.02 . 1 . . . . . . . . 6265 1 53 . 1 1 9 9 PHE CZ C 13 128.92 0.20 . 1 . . . . . . . . 6265 1 54 . 1 1 9 9 PHE HE1 H 1 6.99 0.02 . 3 . . . . . . . . 6265 1 55 . 1 1 9 9 PHE CE1 C 13 131.26 0.20 . 3 . . . . . . . . 6265 1 56 . 1 1 10 10 ARG H H 1 7.45 0.02 . 1 . . . . . . . . 6265 1 57 . 1 1 10 10 ARG N N 15 118.92 0.15 . 1 . . . . . . . . 6265 1 58 . 1 1 10 10 ARG CB C 13 31.96 0.20 . 1 . . . . . . . . 6265 1 59 . 1 1 10 10 ARG CA C 13 54.70 0.20 . 1 . . . . . . . . 6265 1 60 . 1 1 10 10 ARG HA H 1 4.55 0.02 . 1 . . . . . . . . 6265 1 61 . 1 1 10 10 ARG HB2 H 1 1.71 0.02 . 2 . . . . . . . . 6265 1 62 . 1 1 10 10 ARG HB3 H 1 1.30 0.02 . 2 . . . . . . . . 6265 1 63 . 1 1 10 10 ARG CG C 13 27.63 0.20 . 1 . . . . . . . . 6265 1 64 . 1 1 10 10 ARG HG2 H 1 1.56 0.02 . 2 . . . . . . . . 6265 1 65 . 1 1 10 10 ARG HD3 H 1 3.09 0.02 . 2 . . . . . . . . 6265 1 66 . 1 1 10 10 ARG HD2 H 1 3.18 0.02 . 2 . . . . . . . . 6265 1 67 . 1 1 10 10 ARG CD C 13 43.52 0.20 . 1 . . . . . . . . 6265 1 68 . 1 1 10 10 ARG HG3 H 1 1.39 0.02 . 2 . . . . . . . . 6265 1 69 . 1 1 11 11 CYS H H 1 8.88 0.02 . 1 . . . . . . . . 6265 1 70 . 1 1 11 11 CYS N N 15 131.61 0.15 . 1 . . . . . . . . 6265 1 71 . 1 1 11 11 CYS CA C 13 58.84 0.20 . 1 . . . . . . . . 6265 1 72 . 1 1 11 11 CYS CB C 13 30.01 0.20 . 1 . . . . . . . . 6265 1 73 . 1 1 11 11 CYS HB3 H 1 3.50 0.02 . 2 . . . . . . . . 6265 1 74 . 1 1 11 11 CYS HA H 1 4.73 0.02 . 1 . . . . . . . . 6265 1 75 . 1 1 11 11 CYS HB2 H 1 2.86 0.02 . 2 . . . . . . . . 6265 1 76 . 1 1 12 12 PRO CB C 13 33.49 0.20 . 1 . . . . . . . . 6265 1 77 . 1 1 12 12 PRO CA C 13 64.42 0.20 . 1 . . . . . . . . 6265 1 78 . 1 1 12 12 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 6265 1 79 . 1 1 12 12 PRO HB3 H 1 2.49 0.02 . 2 . . . . . . . . 6265 1 80 . 1 1 12 12 PRO HB2 H 1 1.85 0.02 . 2 . . . . . . . . 6265 1 81 . 1 1 12 12 PRO CG C 13 27.60 0.20 . 1 . . . . . . . . 6265 1 82 . 1 1 12 12 PRO HG2 H 1 1.74 0.02 . 2 . . . . . . . . 6265 1 83 . 1 1 12 12 PRO HG3 H 1 1.96 0.02 . 2 . . . . . . . . 6265 1 84 . 1 1 12 12 PRO HD2 H 1 4.19 0.02 . 2 . . . . . . . . 6265 1 85 . 1 1 12 12 PRO CD C 13 52.51 0.20 . 1 . . . . . . . . 6265 1 86 . 1 1 13 13 ILE H H 1 10.48 0.02 . 1 . . . . . . . . 6265 1 87 . 1 1 13 13 ILE N N 15 120.22 0.15 . 1 . . . . . . . . 6265 1 88 . 1 1 13 13 ILE CA C 13 63.76 0.20 . 1 . . . . . . . . 6265 1 89 . 1 1 13 13 ILE CB C 13 39.40 0.20 . 1 . . . . . . . . 6265 1 90 . 1 1 13 13 ILE HA H 1 4.01 0.02 . 1 . . . . . . . . 6265 1 91 . 1 1 13 13 ILE HB H 1 2.14 0.02 . 1 . . . . . . . . 6265 1 92 . 1 1 13 13 ILE HG13 H 1 1.59 0.02 . 2 . . . . . . . . 6265 1 93 . 1 1 13 13 ILE CG1 C 13 27.49 0.20 . 1 . . . . . . . . 6265 1 94 . 1 1 13 13 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 6265 1 95 . 1 1 13 13 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 6265 1 96 . 1 1 13 13 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 6265 1 97 . 1 1 13 13 ILE HD11 H 1 0.21 0.02 . 1 . . . . . . . . 6265 1 98 . 1 1 13 13 ILE HD12 H 1 0.21 0.02 . 1 . . . . . . . . 6265 1 99 . 1 1 13 13 ILE HD13 H 1 0.21 0.02 . 1 . . . . . . . . 6265 1 100 . 1 1 13 13 ILE CD1 C 13 13.73 0.20 . 1 . . . . . . . . 6265 1 101 . 1 1 13 13 ILE HG12 H 1 0.62 0.02 . 2 . . . . . . . . 6265 1 102 . 1 1 14 14 SER H H 1 9.51 0.02 . 1 . . . . . . . . 6265 1 103 . 1 1 14 14 SER N N 15 118.28 0.15 . 1 . . . . . . . . 6265 1 104 . 1 1 14 14 SER CA C 13 59.40 0.20 . 1 . . . . . . . . 6265 1 105 . 1 1 14 14 SER CB C 13 64.90 0.20 . 1 . . . . . . . . 6265 1 106 . 1 1 14 14 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 6265 1 107 . 1 1 14 14 SER HB3 H 1 4.16 0.02 . 2 . . . . . . . . 6265 1 108 . 1 1 14 14 SER HB2 H 1 3.98 0.02 . 2 . . . . . . . . 6265 1 109 . 1 1 15 15 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 6265 1 110 . 1 1 15 15 LEU N N 15 117.74 0.15 . 1 . . . . . . . . 6265 1 111 . 1 1 15 15 LEU CA C 13 56.81 0.20 . 1 . . . . . . . . 6265 1 112 . 1 1 15 15 LEU CB C 13 38.72 0.20 . 1 . . . . . . . . 6265 1 113 . 1 1 15 15 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 6265 1 114 . 1 1 15 15 LEU HB3 H 1 2.26 0.02 . 2 . . . . . . . . 6265 1 115 . 1 1 15 15 LEU HG H 1 1.51 0.02 . 1 . . . . . . . . 6265 1 116 . 1 1 15 15 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 6265 1 117 . 1 1 15 15 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 6265 1 118 . 1 1 15 15 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 6265 1 119 . 1 1 15 15 LEU CD2 C 13 22.60 0.20 . 2 . . . . . . . . 6265 1 120 . 1 1 15 15 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 6265 1 121 . 1 1 15 15 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 6265 1 122 . 1 1 15 15 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 6265 1 123 . 1 1 15 15 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 6265 1 124 . 1 1 15 15 LEU CD1 C 13 25.18 0.20 . 2 . . . . . . . . 6265 1 125 . 1 1 16 16 GLU H H 1 7.81 0.02 . 1 . . . . . . . . 6265 1 126 . 1 1 16 16 GLU N N 15 118.78 0.15 . 1 . . . . . . . . 6265 1 127 . 1 1 16 16 GLU CA C 13 54.59 0.20 . 1 . . . . . . . . 6265 1 128 . 1 1 16 16 GLU CB C 13 31.89 0.20 . 1 . . . . . . . . 6265 1 129 . 1 1 16 16 GLU HA H 1 4.58 0.02 . 1 . . . . . . . . 6265 1 130 . 1 1 16 16 GLU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 6265 1 131 . 1 1 16 16 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 6265 1 132 . 1 1 16 16 GLU HG3 H 1 2.34 0.02 . 2 . . . . . . . . 6265 1 133 . 1 1 16 16 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 6265 1 134 . 1 1 16 16 GLU CG C 13 36.24 0.20 . 1 . . . . . . . . 6265 1 135 . 1 1 17 17 LEU H H 1 8.42 0.02 . 1 . . . . . . . . 6265 1 136 . 1 1 17 17 LEU N N 15 122.94 0.15 . 1 . . . . . . . . 6265 1 137 . 1 1 17 17 LEU CA C 13 55.78 0.20 . 1 . . . . . . . . 6265 1 138 . 1 1 17 17 LEU CB C 13 41.80 0.20 . 1 . . . . . . . . 6265 1 139 . 1 1 17 17 LEU HA H 1 3.79 0.02 . 1 . . . . . . . . 6265 1 140 . 1 1 17 17 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 6265 1 141 . 1 1 17 17 LEU HB2 H 1 0.84 0.02 . 2 . . . . . . . . 6265 1 142 . 1 1 17 17 LEU HD11 H 1 0.66 0.02 . 2 . . . . . . . . 6265 1 143 . 1 1 17 17 LEU HD12 H 1 0.66 0.02 . 2 . . . . . . . . 6265 1 144 . 1 1 17 17 LEU HD13 H 1 0.66 0.02 . 2 . . . . . . . . 6265 1 145 . 1 1 17 17 LEU HD21 H 1 0.50 0.02 . 2 . . . . . . . . 6265 1 146 . 1 1 17 17 LEU HD22 H 1 0.50 0.02 . 2 . . . . . . . . 6265 1 147 . 1 1 17 17 LEU HD23 H 1 0.50 0.02 . 2 . . . . . . . . 6265 1 148 . 1 1 17 17 LEU CD2 C 13 24.26 0.20 . 2 . . . . . . . . 6265 1 149 . 1 1 17 17 LEU HG H 1 1.33 0.02 . 1 . . . . . . . . 6265 1 150 . 1 1 17 17 LEU CG C 13 26.13 0.20 . 1 . . . . . . . . 6265 1 151 . 1 1 17 17 LEU CD1 C 13 25.79 0.20 . 2 . . . . . . . . 6265 1 152 . 1 1 18 18 MET H H 1 8.25 0.02 . 1 . . . . . . . . 6265 1 153 . 1 1 18 18 MET N N 15 126.51 0.15 . 1 . . . . . . . . 6265 1 154 . 1 1 18 18 MET CA C 13 57.63 0.20 . 1 . . . . . . . . 6265 1 155 . 1 1 18 18 MET CB C 13 34.94 0.20 . 1 . . . . . . . . 6265 1 156 . 1 1 18 18 MET HA H 1 4.26 0.02 . 1 . . . . . . . . 6265 1 157 . 1 1 18 18 MET HB3 H 1 2.00 0.02 . 2 . . . . . . . . 6265 1 158 . 1 1 18 18 MET HG3 H 1 2.79 0.02 . 2 . . . . . . . . 6265 1 159 . 1 1 18 18 MET CG C 13 33.80 0.20 . 1 . . . . . . . . 6265 1 160 . 1 1 18 18 MET HG2 H 1 2.46 0.02 . 2 . . . . . . . . 6265 1 161 . 1 1 18 18 MET HE1 H 1 1.80 0.02 . 1 . . . . . . . . 6265 1 162 . 1 1 18 18 MET HE2 H 1 1.80 0.02 . 1 . . . . . . . . 6265 1 163 . 1 1 18 18 MET HE3 H 1 1.80 0.02 . 1 . . . . . . . . 6265 1 164 . 1 1 18 18 MET CE C 13 16.94 0.20 . 1 . . . . . . . . 6265 1 165 . 1 1 18 18 MET HB2 H 1 1.46 0.02 . 2 . . . . . . . . 6265 1 166 . 1 1 19 19 LYS H H 1 9.41 0.02 . 1 . . . . . . . . 6265 1 167 . 1 1 19 19 LYS N N 15 122.02 0.15 . 1 . . . . . . . . 6265 1 168 . 1 1 19 19 LYS CA C 13 56.44 0.20 . 1 . . . . . . . . 6265 1 169 . 1 1 19 19 LYS CB C 13 34.20 0.20 . 1 . . . . . . . . 6265 1 170 . 1 1 19 19 LYS HA H 1 4.44 0.02 . 1 . . . . . . . . 6265 1 171 . 1 1 19 19 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6265 1 172 . 1 1 19 19 LYS CD C 13 28.61 0.20 . 1 . . . . . . . . 6265 1 173 . 1 1 19 19 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 6265 1 174 . 1 1 19 19 LYS CG C 13 24.87 0.20 . 1 . . . . . . . . 6265 1 175 . 1 1 19 19 LYS HE2 H 1 3.01 0.02 . 2 . . . . . . . . 6265 1 176 . 1 1 19 19 LYS CE C 13 41.85 0.20 . 1 . . . . . . . . 6265 1 177 . 1 1 19 19 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 6265 1 178 . 1 1 19 19 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . 6265 1 179 . 1 1 19 19 LYS HD3 H 1 1.76 0.02 . 2 . . . . . . . . 6265 1 180 . 1 1 19 19 LYS HE3 H 1 3.06 0.02 . 2 . . . . . . . . 6265 1 181 . 1 1 20 20 ASP H H 1 10.54 0.02 . 1 . . . . . . . . 6265 1 182 . 1 1 20 20 ASP N N 15 123.59 0.15 . 1 . . . . . . . . 6265 1 183 . 1 1 20 20 ASP CA C 13 51.17 0.20 . 1 . . . . . . . . 6265 1 184 . 1 1 20 20 ASP CB C 13 40.85 0.20 . 1 . . . . . . . . 6265 1 185 . 1 1 20 20 ASP HA H 1 5.03 0.02 . 1 . . . . . . . . 6265 1 186 . 1 1 20 20 ASP HB3 H 1 3.14 0.02 . 2 . . . . . . . . 6265 1 187 . 1 1 20 20 ASP HB2 H 1 2.41 0.02 . 2 . . . . . . . . 6265 1 188 . 1 1 21 21 PRO CA C 13 61.97 0.20 . 1 . . . . . . . . 6265 1 189 . 1 1 21 21 PRO CB C 13 33.55 0.20 . 1 . . . . . . . . 6265 1 190 . 1 1 21 21 PRO HD3 H 1 3.75 0.02 . 2 . . . . . . . . 6265 1 191 . 1 1 21 21 PRO CD C 13 49.68 0.20 . 1 . . . . . . . . 6265 1 192 . 1 1 21 21 PRO HD2 H 1 3.22 0.02 . 2 . . . . . . . . 6265 1 193 . 1 1 21 21 PRO HG3 H 1 2.30 0.02 . 2 . . . . . . . . 6265 1 194 . 1 1 21 21 PRO HA H 1 4.93 0.02 . 1 . . . . . . . . 6265 1 195 . 1 1 21 21 PRO HB3 H 1 2.41 0.02 . 2 . . . . . . . . 6265 1 196 . 1 1 21 21 PRO HB2 H 1 1.71 0.02 . 2 . . . . . . . . 6265 1 197 . 1 1 21 21 PRO CG C 13 27.16 0.20 . 1 . . . . . . . . 6265 1 198 . 1 1 21 21 PRO HG2 H 1 1.60 0.02 . 2 . . . . . . . . 6265 1 199 . 1 1 22 22 VAL CA C 13 58.16 0.20 . 1 . . . . . . . . 6265 1 200 . 1 1 22 22 VAL CB C 13 35.55 0.20 . 1 . . . . . . . . 6265 1 201 . 1 1 22 22 VAL HA H 1 5.09 0.02 . 1 . . . . . . . . 6265 1 202 . 1 1 22 22 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 6265 1 203 . 1 1 22 22 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 6265 1 204 . 1 1 22 22 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 6265 1 205 . 1 1 22 22 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 6265 1 206 . 1 1 22 22 VAL CG2 C 13 20.20 0.20 . 2 . . . . . . . . 6265 1 207 . 1 1 22 22 VAL HG11 H 1 0.75 0.02 . 2 . . . . . . . . 6265 1 208 . 1 1 22 22 VAL HG12 H 1 0.75 0.02 . 2 . . . . . . . . 6265 1 209 . 1 1 22 22 VAL HG13 H 1 0.75 0.02 . 2 . . . . . . . . 6265 1 210 . 1 1 22 22 VAL CG1 C 13 21.07 0.20 . 2 . . . . . . . . 6265 1 211 . 1 1 23 23 ILE H H 1 9.74 0.02 . 1 . . . . . . . . 6265 1 212 . 1 1 23 23 ILE N N 15 122.49 0.15 . 1 . . . . . . . . 6265 1 213 . 1 1 23 23 ILE CA C 13 58.82 0.20 . 1 . . . . . . . . 6265 1 214 . 1 1 23 23 ILE CB C 13 42.38 0.20 . 1 . . . . . . . . 6265 1 215 . 1 1 23 23 ILE HA H 1 5.41 0.02 . 1 . . . . . . . . 6265 1 216 . 1 1 23 23 ILE HB H 1 1.62 0.02 . 1 . . . . . . . . 6265 1 217 . 1 1 23 23 ILE CG1 C 13 28.56 0.20 . 1 . . . . . . . . 6265 1 218 . 1 1 23 23 ILE HG12 H 1 1.32 0.02 . 2 . . . . . . . . 6265 1 219 . 1 1 23 23 ILE CD1 C 13 14.89 0.20 . 1 . . . . . . . . 6265 1 220 . 1 1 23 23 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 6265 1 221 . 1 1 23 23 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 6265 1 222 . 1 1 23 23 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 6265 1 223 . 1 1 23 23 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 6265 1 224 . 1 1 23 23 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 6265 1 225 . 1 1 23 23 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 6265 1 226 . 1 1 23 23 ILE CG2 C 13 17.28 0.20 . 1 . . . . . . . . 6265 1 227 . 1 1 23 23 ILE HG13 H 1 1.55 0.02 . 2 . . . . . . . . 6265 1 228 . 1 1 24 24 VAL H H 1 7.89 0.02 . 1 . . . . . . . . 6265 1 229 . 1 1 24 24 VAL N N 15 117.57 0.15 . 1 . . . . . . . . 6265 1 230 . 1 1 24 24 VAL CA C 13 59.73 0.20 . 1 . . . . . . . . 6265 1 231 . 1 1 24 24 VAL CB C 13 33.56 0.20 . 1 . . . . . . . . 6265 1 232 . 1 1 24 24 VAL HA H 1 5.04 0.02 . 1 . . . . . . . . 6265 1 233 . 1 1 24 24 VAL CG2 C 13 20.49 0.20 . 2 . . . . . . . . 6265 1 234 . 1 1 24 24 VAL HG21 H 1 1.44 0.02 . 2 . . . . . . . . 6265 1 235 . 1 1 24 24 VAL HG22 H 1 1.44 0.02 . 2 . . . . . . . . 6265 1 236 . 1 1 24 24 VAL HG23 H 1 1.44 0.02 . 2 . . . . . . . . 6265 1 237 . 1 1 24 24 VAL HG11 H 1 1.10 0.02 . 2 . . . . . . . . 6265 1 238 . 1 1 24 24 VAL HG12 H 1 1.10 0.02 . 2 . . . . . . . . 6265 1 239 . 1 1 24 24 VAL HG13 H 1 1.10 0.02 . 2 . . . . . . . . 6265 1 240 . 1 1 24 24 VAL HB H 1 2.93 0.02 . 1 . . . . . . . . 6265 1 241 . 1 1 24 24 VAL CG1 C 13 23.07 0.20 . 2 . . . . . . . . 6265 1 242 . 1 1 25 25 SER H H 1 9.64 0.02 . 1 . . . . . . . . 6265 1 243 . 1 1 25 25 SER N N 15 116.49 0.15 . 1 . . . . . . . . 6265 1 244 . 1 1 25 25 SER HA H 1 4.66 0.02 . 1 . . . . . . . . 6265 1 245 . 1 1 25 25 SER CA C 13 55.94 0.20 . 1 . . . . . . . . 6265 1 246 . 1 1 25 25 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 6265 1 247 . 1 1 25 25 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 6265 1 248 . 1 1 25 25 SER CB C 13 63.78 0.20 . 1 . . . . . . . . 6265 1 249 . 1 1 26 26 THR H H 1 6.98 0.02 . 1 . . . . . . . . 6265 1 250 . 1 1 26 26 THR N N 15 109.98 0.15 . 1 . . . . . . . . 6265 1 251 . 1 1 26 26 THR HA H 1 4.69 0.02 . 1 . . . . . . . . 6265 1 252 . 1 1 26 26 THR HB H 1 4.47 0.02 . 1 . . . . . . . . 6265 1 253 . 1 1 26 26 THR HG21 H 1 1.35 0.02 . 1 . . . . . . . . 6265 1 254 . 1 1 26 26 THR HG22 H 1 1.35 0.02 . 1 . . . . . . . . 6265 1 255 . 1 1 26 26 THR HG23 H 1 1.35 0.02 . 1 . . . . . . . . 6265 1 256 . 1 1 26 26 THR CG2 C 13 24.42 0.20 . 1 . . . . . . . . 6265 1 257 . 1 1 27 27 GLY H H 1 8.90 0.02 . 1 . . . . . . . . 6265 1 258 . 1 1 27 27 GLY N N 15 109.30 0.15 . 1 . . . . . . . . 6265 1 259 . 1 1 27 27 GLY CA C 13 46.00 0.20 . 1 . . . . . . . . 6265 1 260 . 1 1 27 27 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 6265 1 261 . 1 1 27 27 GLY HA3 H 1 4.74 0.02 . 2 . . . . . . . . 6265 1 262 . 1 1 28 28 GLN H H 1 7.04 0.02 . 1 . . . . . . . . 6265 1 263 . 1 1 28 28 GLN N N 15 117.99 0.15 . 1 . . . . . . . . 6265 1 264 . 1 1 28 28 GLN CB C 13 28.91 0.20 . 1 . . . . . . . . 6265 1 265 . 1 1 28 28 GLN CA C 13 54.29 0.20 . 1 . . . . . . . . 6265 1 266 . 1 1 28 28 GLN HA H 1 4.43 0.02 . 1 . . . . . . . . 6265 1 267 . 1 1 28 28 GLN HB2 H 1 1.84 0.02 . 2 . . . . . . . . 6265 1 268 . 1 1 28 28 GLN HG3 H 1 2.42 0.02 . 2 . . . . . . . . 6265 1 269 . 1 1 28 28 GLN HG2 H 1 2.26 0.02 . 2 . . . . . . . . 6265 1 270 . 1 1 28 28 GLN CG C 13 33.62 0.20 . 1 . . . . . . . . 6265 1 271 . 1 1 28 28 GLN HB3 H 1 1.90 0.02 . 2 . . . . . . . . 6265 1 272 . 1 1 28 28 GLN HE21 H 1 7.89 0.02 . 2 . . . . . . . . 6265 1 273 . 1 1 28 28 GLN NE2 N 15 115.41 0.15 . 1 . . . . . . . . 6265 1 274 . 1 1 28 28 GLN HE22 H 1 6.78 0.02 . 2 . . . . . . . . 6265 1 275 . 1 1 29 29 THR H H 1 7.33 0.02 . 1 . . . . . . . . 6265 1 276 . 1 1 29 29 THR N N 15 118.01 0.15 . 1 . . . . . . . . 6265 1 277 . 1 1 29 29 THR CA C 13 62.13 0.20 . 1 . . . . . . . . 6265 1 278 . 1 1 29 29 THR CB C 13 69.54 0.20 . 1 . . . . . . . . 6265 1 279 . 1 1 29 29 THR HA H 1 5.51 0.02 . 1 . . . . . . . . 6265 1 280 . 1 1 29 29 THR HB H 1 3.74 0.02 . 1 . . . . . . . . 6265 1 281 . 1 1 29 29 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6265 1 282 . 1 1 29 29 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6265 1 283 . 1 1 29 29 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6265 1 284 . 1 1 29 29 THR CG2 C 13 23.15 0.20 . 1 . . . . . . . . 6265 1 285 . 1 1 30 30 TYR H H 1 9.10 0.02 . 1 . . . . . . . . 6265 1 286 . 1 1 30 30 TYR N N 15 121.39 0.15 . 1 . . . . . . . . 6265 1 287 . 1 1 30 30 TYR CA C 13 56.26 0.20 . 1 . . . . . . . . 6265 1 288 . 1 1 30 30 TYR CB C 13 45.04 0.20 . 1 . . . . . . . . 6265 1 289 . 1 1 30 30 TYR HA H 1 5.18 0.02 . 1 . . . . . . . . 6265 1 290 . 1 1 30 30 TYR HB2 H 1 2.18 0.02 . 2 . . . . . . . . 6265 1 291 . 1 1 30 30 TYR HB3 H 1 3.41 0.02 . 2 . . . . . . . . 6265 1 292 . 1 1 30 30 TYR HE1 H 1 6.66 0.02 . 3 . . . . . . . . 6265 1 293 . 1 1 30 30 TYR CE1 C 13 116.51 0.20 . 3 . . . . . . . . 6265 1 294 . 1 1 30 30 TYR HD1 H 1 7.10 0.02 . 3 . . . . . . . . 6265 1 295 . 1 1 30 30 TYR CD1 C 13 133.64 0.20 . 3 . . . . . . . . 6265 1 296 . 1 1 31 31 GLU H H 1 9.98 0.02 . 1 . . . . . . . . 6265 1 297 . 1 1 31 31 GLU N N 15 124.62 0.15 . 1 . . . . . . . . 6265 1 298 . 1 1 31 31 GLU CA C 13 56.33 0.20 . 1 . . . . . . . . 6265 1 299 . 1 1 31 31 GLU HA H 1 4.72 0.02 . 1 . . . . . . . . 6265 1 300 . 1 1 31 31 GLU HB3 H 1 2.86 0.02 . 2 . . . . . . . . 6265 1 301 . 1 1 31 31 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 6265 1 302 . 1 1 31 31 GLU CB C 13 28.98 0.20 . 1 . . . . . . . . 6265 1 303 . 1 1 31 31 GLU CG C 13 34.86 0.20 . 1 . . . . . . . . 6265 1 304 . 1 1 31 31 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 6265 1 305 . 1 1 31 31 GLU HG3 H 1 2.64 0.02 . 2 . . . . . . . . 6265 1 306 . 1 1 32 32 ARG H H 1 8.62 0.02 . 1 . . . . . . . . 6265 1 307 . 1 1 32 32 ARG N N 15 131.18 0.15 . 1 . . . . . . . . 6265 1 308 . 1 1 32 32 ARG CA C 13 61.31 0.20 . 1 . . . . . . . . 6265 1 309 . 1 1 32 32 ARG CB C 13 29.96 0.20 . 1 . . . . . . . . 6265 1 310 . 1 1 32 32 ARG HA H 1 3.87 0.02 . 1 . . . . . . . . 6265 1 311 . 1 1 32 32 ARG HB2 H 1 2.28 0.02 . 2 . . . . . . . . 6265 1 312 . 1 1 32 32 ARG HB3 H 1 1.99 0.02 . 2 . . . . . . . . 6265 1 313 . 1 1 32 32 ARG HD2 H 1 3.49 0.02 . 2 . . . . . . . . 6265 1 314 . 1 1 32 32 ARG HD3 H 1 3.14 0.02 . 2 . . . . . . . . 6265 1 315 . 1 1 32 32 ARG CD C 13 42.85 0.20 . 1 . . . . . . . . 6265 1 316 . 1 1 32 32 ARG HG2 H 1 1.47 0.02 . 2 . . . . . . . . 6265 1 317 . 1 1 32 32 ARG CG C 13 27.42 0.20 . 1 . . . . . . . . 6265 1 318 . 1 1 32 32 ARG HG3 H 1 1.44 0.02 . 2 . . . . . . . . 6265 1 319 . 1 1 33 33 SER H H 1 9.10 0.02 . 1 . . . . . . . . 6265 1 320 . 1 1 33 33 SER N N 15 110.88 0.15 . 1 . . . . . . . . 6265 1 321 . 1 1 33 33 SER CB C 13 62.44 0.20 . 1 . . . . . . . . 6265 1 322 . 1 1 33 33 SER CA C 13 61.51 0.20 . 1 . . . . . . . . 6265 1 323 . 1 1 33 33 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 6265 1 324 . 1 1 33 33 SER HB2 H 1 4.05 0.02 . 2 . . . . . . . . 6265 1 325 . 1 1 33 33 SER HB3 H 1 4.10 0.02 . 2 . . . . . . . . 6265 1 326 . 1 1 34 34 SER H H 1 7.27 0.02 . 1 . . . . . . . . 6265 1 327 . 1 1 34 34 SER N N 15 116.56 0.15 . 1 . . . . . . . . 6265 1 328 . 1 1 34 34 SER CA C 13 60.14 0.20 . 1 . . . . . . . . 6265 1 329 . 1 1 34 34 SER CB C 13 62.66 0.20 . 1 . . . . . . . . 6265 1 330 . 1 1 34 34 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 6265 1 331 . 1 1 34 34 SER HB2 H 1 3.77 0.02 . 2 . . . . . . . . 6265 1 332 . 1 1 35 35 ILE H H 1 7.86 0.02 . 1 . . . . . . . . 6265 1 333 . 1 1 35 35 ILE N N 15 120.80 0.15 . 1 . . . . . . . . 6265 1 334 . 1 1 35 35 ILE CA C 13 58.83 0.20 . 1 . . . . . . . . 6265 1 335 . 1 1 35 35 ILE CB C 13 38.47 0.20 . 1 . . . . . . . . 6265 1 336 . 1 1 35 35 ILE HA H 1 4.29 0.02 . 1 . . . . . . . . 6265 1 337 . 1 1 35 35 ILE HG12 H 1 1.10 0.02 . 2 . . . . . . . . 6265 1 338 . 1 1 35 35 ILE CG1 C 13 29.26 0.20 . 1 . . . . . . . . 6265 1 339 . 1 1 35 35 ILE HG13 H 1 1.35 0.02 . 2 . . . . . . . . 6265 1 340 . 1 1 35 35 ILE CG2 C 13 21.38 0.20 . 1 . . . . . . . . 6265 1 341 . 1 1 35 35 ILE HD11 H 1 0.28 0.02 . 1 . . . . . . . . 6265 1 342 . 1 1 35 35 ILE HD12 H 1 0.28 0.02 . 1 . . . . . . . . 6265 1 343 . 1 1 35 35 ILE HD13 H 1 0.28 0.02 . 1 . . . . . . . . 6265 1 344 . 1 1 35 35 ILE CD1 C 13 13.38 0.20 . 1 . . . . . . . . 6265 1 345 . 1 1 35 35 ILE HB H 1 1.25 0.02 . 1 . . . . . . . . 6265 1 346 . 1 1 35 35 ILE HG21 H 1 1.12 0.02 . 1 . . . . . . . . 6265 1 347 . 1 1 35 35 ILE HG22 H 1 1.12 0.02 . 1 . . . . . . . . 6265 1 348 . 1 1 35 35 ILE HG23 H 1 1.12 0.02 . 1 . . . . . . . . 6265 1 349 . 1 1 36 36 GLN H H 1 8.97 0.02 . 1 . . . . . . . . 6265 1 350 . 1 1 36 36 GLN N N 15 124.86 0.15 . 1 . . . . . . . . 6265 1 351 . 1 1 36 36 GLN CB C 13 29.06 0.20 . 1 . . . . . . . . 6265 1 352 . 1 1 36 36 GLN CA C 13 58.84 0.20 . 1 . . . . . . . . 6265 1 353 . 1 1 36 36 GLN HA H 1 4.07 0.02 . 1 . . . . . . . . 6265 1 354 . 1 1 36 36 GLN CG C 13 33.75 0.20 . 1 . . . . . . . . 6265 1 355 . 1 1 36 36 GLN HB2 H 1 2.10 0.02 . 2 . . . . . . . . 6265 1 356 . 1 1 36 36 GLN HB3 H 1 2.25 0.02 . 2 . . . . . . . . 6265 1 357 . 1 1 36 36 GLN HG2 H 1 2.37 0.02 . 2 . . . . . . . . 6265 1 358 . 1 1 36 36 GLN HG3 H 1 2.49 0.02 . 2 . . . . . . . . 6265 1 359 . 1 1 36 36 GLN HE21 H 1 7.63 0.02 . 2 . . . . . . . . 6265 1 360 . 1 1 36 36 GLN NE2 N 15 113.95 0.15 . 1 . . . . . . . . 6265 1 361 . 1 1 37 37 LYS H H 1 7.53 0.02 . 1 . . . . . . . . 6265 1 362 . 1 1 37 37 LYS N N 15 117.64 0.15 . 1 . . . . . . . . 6265 1 363 . 1 1 37 37 LYS CA C 13 59.91 0.20 . 1 . . . . . . . . 6265 1 364 . 1 1 37 37 LYS CB C 13 32.41 0.20 . 1 . . . . . . . . 6265 1 365 . 1 1 37 37 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 6265 1 366 . 1 1 37 37 LYS HB2 H 1 2.09 0.02 . 2 . . . . . . . . 6265 1 367 . 1 1 37 37 LYS HD2 H 1 1.82 0.02 . 2 . . . . . . . . 6265 1 368 . 1 1 37 37 LYS HG2 H 1 1.64 0.02 . 2 . . . . . . . . 6265 1 369 . 1 1 37 37 LYS CG C 13 25.58 0.20 . 1 . . . . . . . . 6265 1 370 . 1 1 37 37 LYS HE2 H 1 3.10 0.02 . 2 . . . . . . . . 6265 1 371 . 1 1 37 37 LYS CE C 13 41.90 0.20 . 1 . . . . . . . . 6265 1 372 . 1 1 37 37 LYS HB3 H 1 2.12 0.02 . 2 . . . . . . . . 6265 1 373 . 1 1 37 37 LYS HD3 H 1 1.86 0.02 . 2 . . . . . . . . 6265 1 374 . 1 1 37 37 LYS CD C 13 29.31 0.20 . 1 . . . . . . . . 6265 1 375 . 1 1 38 38 TRP H H 1 7.37 0.02 . 1 . . . . . . . . 6265 1 376 . 1 1 38 38 TRP N N 15 122.10 0.15 . 1 . . . . . . . . 6265 1 377 . 1 1 38 38 TRP CB C 13 30.01 0.20 . 1 . . . . . . . . 6265 1 378 . 1 1 38 38 TRP CA C 13 60.14 0.20 . 1 . . . . . . . . 6265 1 379 . 1 1 38 38 TRP HA H 1 4.60 0.02 . 1 . . . . . . . . 6265 1 380 . 1 1 38 38 TRP HB3 H 1 3.70 0.02 . 2 . . . . . . . . 6265 1 381 . 1 1 38 38 TRP HB2 H 1 3.33 0.02 . 2 . . . . . . . . 6265 1 382 . 1 1 38 38 TRP HE1 H 1 10.17 0.02 . 1 . . . . . . . . 6265 1 383 . 1 1 38 38 TRP NE1 N 15 129.90 0.15 . 1 . . . . . . . . 6265 1 384 . 1 1 38 38 TRP HE3 H 1 7.57 0.02 . 1 . . . . . . . . 6265 1 385 . 1 1 38 38 TRP CE3 C 13 120.43 0.20 . 1 . . . . . . . . 6265 1 386 . 1 1 38 38 TRP HZ3 H 1 6.88 0.02 . 1 . . . . . . . . 6265 1 387 . 1 1 38 38 TRP CZ3 C 13 121.90 0.20 . 1 . . . . . . . . 6265 1 388 . 1 1 38 38 TRP HD1 H 1 6.11 0.02 . 1 . . . . . . . . 6265 1 389 . 1 1 38 38 TRP CD1 C 13 120.52 0.20 . 1 . . . . . . . . 6265 1 390 . 1 1 38 38 TRP HH2 H 1 6.82 0.02 . 1 . . . . . . . . 6265 1 391 . 1 1 38 38 TRP CH2 C 13 124.58 0.20 . 1 . . . . . . . . 6265 1 392 . 1 1 38 38 TRP HZ2 H 1 7.06 0.02 . 1 . . . . . . . . 6265 1 393 . 1 1 38 38 TRP CZ2 C 13 114.08 0.20 . 1 . . . . . . . . 6265 1 394 . 1 1 39 39 LEU H H 1 8.46 0.02 . 1 . . . . . . . . 6265 1 395 . 1 1 39 39 LEU N N 15 118.30 0.15 . 1 . . . . . . . . 6265 1 396 . 1 1 39 39 LEU CA C 13 57.31 0.20 . 1 . . . . . . . . 6265 1 397 . 1 1 39 39 LEU CB C 13 41.32 0.20 . 1 . . . . . . . . 6265 1 398 . 1 1 39 39 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 6265 1 399 . 1 1 39 39 LEU HG H 1 2.09 0.02 . 1 . . . . . . . . 6265 1 400 . 1 1 39 39 LEU HB2 H 1 1.60 0.02 . 2 . . . . . . . . 6265 1 401 . 1 1 39 39 LEU HD21 H 1 1.01 0.02 . 2 . . . . . . . . 6265 1 402 . 1 1 39 39 LEU HD22 H 1 1.01 0.02 . 2 . . . . . . . . 6265 1 403 . 1 1 39 39 LEU HD23 H 1 1.01 0.02 . 2 . . . . . . . . 6265 1 404 . 1 1 39 39 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 6265 1 405 . 1 1 39 39 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 6265 1 406 . 1 1 39 39 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 6265 1 407 . 1 1 39 39 LEU CG C 13 26.93 0.20 . 1 . . . . . . . . 6265 1 408 . 1 1 39 39 LEU CD2 C 13 22.18 0.20 . 2 . . . . . . . . 6265 1 409 . 1 1 39 39 LEU CD1 C 13 26.17 0.20 . 2 . . . . . . . . 6265 1 410 . 1 1 40 40 ASP H H 1 9.16 0.02 . 1 . . . . . . . . 6265 1 411 . 1 1 40 40 ASP N N 15 122.55 0.15 . 1 . . . . . . . . 6265 1 412 . 1 1 40 40 ASP CA C 13 56.83 0.20 . 1 . . . . . . . . 6265 1 413 . 1 1 40 40 ASP CB C 13 40.01 0.20 . 1 . . . . . . . . 6265 1 414 . 1 1 40 40 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 6265 1 415 . 1 1 40 40 ASP HB3 H 1 2.89 0.02 . 2 . . . . . . . . 6265 1 416 . 1 1 40 40 ASP HB2 H 1 2.74 0.02 . 2 . . . . . . . . 6265 1 417 . 1 1 41 41 ALA H H 1 7.38 0.02 . 1 . . . . . . . . 6265 1 418 . 1 1 41 41 ALA N N 15 120.75 0.15 . 1 . . . . . . . . 6265 1 419 . 1 1 41 41 ALA CB C 13 18.34 0.20 . 1 . . . . . . . . 6265 1 420 . 1 1 41 41 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 6265 1 421 . 1 1 41 41 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 6265 1 422 . 1 1 41 41 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 6265 1 423 . 1 1 41 41 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6265 1 424 . 1 1 41 41 ALA CA C 13 52.20 0.20 . 1 . . . . . . . . 6265 1 425 . 1 1 42 42 GLY H H 1 7.79 0.02 . 1 . . . . . . . . 6265 1 426 . 1 1 42 42 GLY N N 15 105.14 0.15 . 1 . . . . . . . . 6265 1 427 . 1 1 42 42 GLY HA3 H 1 4.07 0.02 . 2 . . . . . . . . 6265 1 428 . 1 1 42 42 GLY HA2 H 1 3.59 0.02 . 2 . . . . . . . . 6265 1 429 . 1 1 43 43 HIS H H 1 6.54 0.02 . 1 . . . . . . . . 6265 1 430 . 1 1 43 43 HIS N N 15 118.66 0.15 . 1 . . . . . . . . 6265 1 431 . 1 1 43 43 HIS CA C 13 56.27 0.20 . 1 . . . . . . . . 6265 1 432 . 1 1 43 43 HIS CB C 13 29.93 0.20 . 1 . . . . . . . . 6265 1 433 . 1 1 43 43 HIS HA H 1 4.28 0.02 . 1 . . . . . . . . 6265 1 434 . 1 1 43 43 HIS HB2 H 1 1.47 0.02 . 2 . . . . . . . . 6265 1 435 . 1 1 43 43 HIS HB3 H 1 2.46 0.02 . 2 . . . . . . . . 6265 1 436 . 1 1 44 44 LYS CA C 13 54.91 0.20 . 1 . . . . . . . . 6265 1 437 . 1 1 44 44 LYS CB C 13 33.40 0.20 . 1 . . . . . . . . 6265 1 438 . 1 1 44 44 LYS HA H 1 4.65 0.02 . 1 . . . . . . . . 6265 1 439 . 1 1 44 44 LYS HB2 H 1 2.25 0.02 . 2 . . . . . . . . 6265 1 440 . 1 1 44 44 LYS HG3 H 1 1.51 0.02 . 2 . . . . . . . . 6265 1 441 . 1 1 44 44 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 6265 1 442 . 1 1 44 44 LYS HE2 H 1 3.01 0.02 . 2 . . . . . . . . 6265 1 443 . 1 1 44 44 LYS CE C 13 42.00 0.20 . 1 . . . . . . . . 6265 1 444 . 1 1 44 44 LYS CG C 13 24.85 0.20 . 1 . . . . . . . . 6265 1 445 . 1 1 44 44 LYS CD C 13 28.68 0.20 . 1 . . . . . . . . 6265 1 446 . 1 1 44 44 LYS HD2 H 1 1.69 0.02 . 2 . . . . . . . . 6265 1 447 . 1 1 44 44 LYS HD3 H 1 1.75 0.02 . 2 . . . . . . . . 6265 1 448 . 1 1 45 45 THR H H 1 7.23 0.02 . 1 . . . . . . . . 6265 1 449 . 1 1 45 45 THR N N 15 109.01 0.15 . 1 . . . . . . . . 6265 1 450 . 1 1 45 45 THR CA C 13 59.36 0.20 . 1 . . . . . . . . 6265 1 451 . 1 1 45 45 THR CB C 13 71.38 0.20 . 1 . . . . . . . . 6265 1 452 . 1 1 45 45 THR HA H 1 4.85 0.02 . 1 . . . . . . . . 6265 1 453 . 1 1 45 45 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 6265 1 454 . 1 1 45 45 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 6265 1 455 . 1 1 45 45 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 6265 1 456 . 1 1 45 45 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 6265 1 457 . 1 1 45 45 THR CG2 C 13 22.02 0.20 . 1 . . . . . . . . 6265 1 458 . 1 1 46 46 CYS H H 1 8.60 0.02 . 1 . . . . . . . . 6265 1 459 . 1 1 46 46 CYS N N 15 126.30 0.15 . 1 . . . . . . . . 6265 1 460 . 1 1 46 46 CYS CA C 13 56.42 0.20 . 1 . . . . . . . . 6265 1 461 . 1 1 46 46 CYS HA H 1 4.45 0.02 . 1 . . . . . . . . 6265 1 462 . 1 1 46 46 CYS CB C 13 30.16 0.20 . 1 . . . . . . . . 6265 1 463 . 1 1 46 46 CYS HB3 H 1 2.94 0.02 . 2 . . . . . . . . 6265 1 464 . 1 1 46 46 CYS HB2 H 1 2.88 0.02 . 2 . . . . . . . . 6265 1 465 . 1 1 47 47 PRO CA C 13 64.99 0.20 . 1 . . . . . . . . 6265 1 466 . 1 1 47 47 PRO CB C 13 31.39 0.20 . 1 . . . . . . . . 6265 1 467 . 1 1 47 47 PRO HA H 1 3.93 0.02 . 1 . . . . . . . . 6265 1 468 . 1 1 47 47 PRO HB3 H 1 1.41 0.02 . 2 . . . . . . . . 6265 1 469 . 1 1 47 47 PRO HB2 H 1 1.38 0.02 . 2 . . . . . . . . 6265 1 470 . 1 1 47 47 PRO HG3 H 1 0.96 0.02 . 2 . . . . . . . . 6265 1 471 . 1 1 47 47 PRO HG2 H 1 0.10 0.02 . 2 . . . . . . . . 6265 1 472 . 1 1 47 47 PRO HD3 H 1 3.62 0.02 . 2 . . . . . . . . 6265 1 473 . 1 1 47 47 PRO HD2 H 1 3.34 0.02 . 2 . . . . . . . . 6265 1 474 . 1 1 47 47 PRO CD C 13 49.99 0.20 . 1 . . . . . . . . 6265 1 475 . 1 1 47 47 PRO CG C 13 26.19 0.20 . 1 . . . . . . . . 6265 1 476 . 1 1 48 48 LYS H H 1 8.21 0.02 . 1 . . . . . . . . 6265 1 477 . 1 1 48 48 LYS N N 15 116.47 0.15 . 1 . . . . . . . . 6265 1 478 . 1 1 48 48 LYS CA C 13 58.05 0.20 . 1 . . . . . . . . 6265 1 479 . 1 1 48 48 LYS CB C 13 33.73 0.20 . 1 . . . . . . . . 6265 1 480 . 1 1 48 48 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 6265 1 481 . 1 1 48 48 LYS HB2 H 1 1.69 0.02 . 2 . . . . . . . . 6265 1 482 . 1 1 48 48 LYS CG C 13 24.65 0.20 . 1 . . . . . . . . 6265 1 483 . 1 1 48 48 LYS HD2 H 1 1.57 0.02 . 2 . . . . . . . . 6265 1 484 . 1 1 48 48 LYS HE2 H 1 2.96 0.02 . 2 . . . . . . . . 6265 1 485 . 1 1 48 48 LYS CE C 13 41.90 0.20 . 1 . . . . . . . . 6265 1 486 . 1 1 48 48 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 6265 1 487 . 1 1 48 48 LYS HG2 H 1 1.29 0.02 . 2 . . . . . . . . 6265 1 488 . 1 1 48 48 LYS CD C 13 28.65 0.20 . 1 . . . . . . . . 6265 1 489 . 1 1 49 49 SER H H 1 8.54 0.02 . 1 . . . . . . . . 6265 1 490 . 1 1 49 49 SER N N 15 115.76 0.15 . 1 . . . . . . . . 6265 1 491 . 1 1 49 49 SER CA C 13 59.98 0.20 . 1 . . . . . . . . 6265 1 492 . 1 1 49 49 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 6265 1 493 . 1 1 49 49 SER HB3 H 1 4.17 0.02 . 2 . . . . . . . . 6265 1 494 . 1 1 49 49 SER HB2 H 1 3.85 0.02 . 2 . . . . . . . . 6265 1 495 . 1 1 49 49 SER CB C 13 65.44 0.20 . 1 . . . . . . . . 6265 1 496 . 1 1 50 50 GLN H H 1 8.61 0.02 . 1 . . . . . . . . 6265 1 497 . 1 1 50 50 GLN N N 15 116.60 0.15 . 1 . . . . . . . . 6265 1 498 . 1 1 50 50 GLN CA C 13 58.09 0.20 . 1 . . . . . . . . 6265 1 499 . 1 1 50 50 GLN CB C 13 26.28 0.20 . 1 . . . . . . . . 6265 1 500 . 1 1 50 50 GLN HA H 1 3.91 0.02 . 1 . . . . . . . . 6265 1 501 . 1 1 50 50 GLN HB2 H 1 2.43 0.02 . 2 . . . . . . . . 6265 1 502 . 1 1 50 50 GLN CG C 13 34.36 0.20 . 1 . . . . . . . . 6265 1 503 . 1 1 50 50 GLN HB3 H 1 2.47 0.02 . 2 . . . . . . . . 6265 1 504 . 1 1 50 50 GLN HG3 H 1 2.31 0.02 . 2 . . . . . . . . 6265 1 505 . 1 1 50 50 GLN HG2 H 1 2.28 0.02 . 2 . . . . . . . . 6265 1 506 . 1 1 50 50 GLN HE21 H 1 7.63 0.02 . 2 . . . . . . . . 6265 1 507 . 1 1 50 50 GLN NE2 N 15 113.63 0.15 . 1 . . . . . . . . 6265 1 508 . 1 1 50 50 GLN HE22 H 1 6.81 0.02 . 2 . . . . . . . . 6265 1 509 . 1 1 51 51 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 6265 1 510 . 1 1 51 51 GLU N N 15 118.80 0.15 . 1 . . . . . . . . 6265 1 511 . 1 1 51 51 GLU CA C 13 55.66 0.20 . 1 . . . . . . . . 6265 1 512 . 1 1 51 51 GLU CB C 13 31.71 0.20 . 1 . . . . . . . . 6265 1 513 . 1 1 51 51 GLU HA H 1 4.48 0.02 . 1 . . . . . . . . 6265 1 514 . 1 1 51 51 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 6265 1 515 . 1 1 51 51 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 6265 1 516 . 1 1 51 51 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 6265 1 517 . 1 1 51 51 GLU CG C 13 36.43 0.20 . 1 . . . . . . . . 6265 1 518 . 1 1 51 51 GLU HG3 H 1 2.35 0.02 . 2 . . . . . . . . 6265 1 519 . 1 1 52 52 THR H H 1 8.71 0.02 . 1 . . . . . . . . 6265 1 520 . 1 1 52 52 THR N N 15 118.10 0.15 . 1 . . . . . . . . 6265 1 521 . 1 1 52 52 THR CA C 13 63.98 0.20 . 1 . . . . . . . . 6265 1 522 . 1 1 52 52 THR CB C 13 69.29 0.20 . 1 . . . . . . . . 6265 1 523 . 1 1 52 52 THR HA H 1 4.18 0.02 . 1 . . . . . . . . 6265 1 524 . 1 1 52 52 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 6265 1 525 . 1 1 52 52 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 6265 1 526 . 1 1 52 52 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 6265 1 527 . 1 1 52 52 THR CG2 C 13 21.96 0.20 . 1 . . . . . . . . 6265 1 528 . 1 1 52 52 THR HB H 1 4.02 0.02 . 1 . . . . . . . . 6265 1 529 . 1 1 53 53 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 6265 1 530 . 1 1 53 53 LEU N N 15 126.99 0.15 . 1 . . . . . . . . 6265 1 531 . 1 1 53 53 LEU CA C 13 54.76 0.20 . 1 . . . . . . . . 6265 1 532 . 1 1 53 53 LEU CB C 13 41.22 0.20 . 1 . . . . . . . . 6265 1 533 . 1 1 53 53 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 6265 1 534 . 1 1 53 53 LEU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 6265 1 535 . 1 1 53 53 LEU CG C 13 27.27 0.20 . 1 . . . . . . . . 6265 1 536 . 1 1 53 53 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 6265 1 537 . 1 1 53 53 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 6265 1 538 . 1 1 53 53 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 6265 1 539 . 1 1 53 53 LEU CD1 C 13 26.26 0.20 . 2 . . . . . . . . 6265 1 540 . 1 1 53 53 LEU CD2 C 13 24.25 0.20 . 2 . . . . . . . . 6265 1 541 . 1 1 53 53 LEU HD21 H 1 1.10 0.02 . 2 . . . . . . . . 6265 1 542 . 1 1 53 53 LEU HD22 H 1 1.10 0.02 . 2 . . . . . . . . 6265 1 543 . 1 1 53 53 LEU HD23 H 1 1.10 0.02 . 2 . . . . . . . . 6265 1 544 . 1 1 53 53 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 6265 1 545 . 1 1 53 53 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 6265 1 546 . 1 1 54 54 LEU CA C 13 56.34 0.20 . 1 . . . . . . . . 6265 1 547 . 1 1 54 54 LEU CB C 13 43.00 0.20 . 1 . . . . . . . . 6265 1 548 . 1 1 54 54 LEU HA H 1 4.19 0.02 . 1 . . . . . . . . 6265 1 549 . 1 1 54 54 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 6265 1 550 . 1 1 54 54 LEU HD11 H 1 1.05 0.02 . 2 . . . . . . . . 6265 1 551 . 1 1 54 54 LEU HD12 H 1 1.05 0.02 . 2 . . . . . . . . 6265 1 552 . 1 1 54 54 LEU HD13 H 1 1.05 0.02 . 2 . . . . . . . . 6265 1 553 . 1 1 54 54 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 6265 1 554 . 1 1 54 54 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 6265 1 555 . 1 1 54 54 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 6265 1 556 . 1 1 54 54 LEU CD2 C 13 23.19 0.20 . 2 . . . . . . . . 6265 1 557 . 1 1 54 54 LEU HG H 1 1.83 0.02 . 1 . . . . . . . . 6265 1 558 . 1 1 54 54 LEU CG C 13 26.97 0.20 . 1 . . . . . . . . 6265 1 559 . 1 1 54 54 LEU CD1 C 13 24.76 0.20 . 2 . . . . . . . . 6265 1 560 . 1 1 55 55 HIS H H 1 7.47 0.02 . 1 . . . . . . . . 6265 1 561 . 1 1 55 55 HIS N N 15 112.11 0.15 . 1 . . . . . . . . 6265 1 562 . 1 1 55 55 HIS CA C 13 54.46 0.20 . 1 . . . . . . . . 6265 1 563 . 1 1 55 55 HIS CB C 13 32.14 0.20 . 1 . . . . . . . . 6265 1 564 . 1 1 55 55 HIS HA H 1 4.68 0.02 . 1 . . . . . . . . 6265 1 565 . 1 1 55 55 HIS HB3 H 1 3.33 0.02 . 2 . . . . . . . . 6265 1 566 . 1 1 55 55 HIS HB2 H 1 3.18 0.02 . 2 . . . . . . . . 6265 1 567 . 1 1 55 55 HIS HD2 H 1 6.96 0.02 . 1 . . . . . . . . 6265 1 568 . 1 1 55 55 HIS CD2 C 13 118.12 0.20 . 1 . . . . . . . . 6265 1 569 . 1 1 55 55 HIS HE1 H 1 7.67 0.02 . 1 . . . . . . . . 6265 1 570 . 1 1 55 55 HIS CE1 C 13 139.07 0.20 . 1 . . . . . . . . 6265 1 571 . 1 1 56 56 ALA CA C 13 51.22 0.20 . 1 . . . . . . . . 6265 1 572 . 1 1 56 56 ALA CB C 13 19.10 0.20 . 1 . . . . . . . . 6265 1 573 . 1 1 56 56 ALA HA H 1 4.58 0.02 . 1 . . . . . . . . 6265 1 574 . 1 1 56 56 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 6265 1 575 . 1 1 56 56 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 6265 1 576 . 1 1 56 56 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 6265 1 577 . 1 1 57 57 GLY CA C 13 45.65 0.20 . 1 . . . . . . . . 6265 1 578 . 1 1 57 57 GLY HA3 H 1 4.07 0.02 . 2 . . . . . . . . 6265 1 579 . 1 1 57 57 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 6265 1 580 . 1 1 58 58 LEU H H 1 8.60 0.02 . 1 . . . . . . . . 6265 1 581 . 1 1 58 58 LEU N N 15 124.09 0.15 . 1 . . . . . . . . 6265 1 582 . 1 1 58 58 LEU CA C 13 53.34 0.20 . 1 . . . . . . . . 6265 1 583 . 1 1 58 58 LEU CB C 13 43.11 0.20 . 1 . . . . . . . . 6265 1 584 . 1 1 58 58 LEU HA H 1 4.89 0.02 . 1 . . . . . . . . 6265 1 585 . 1 1 58 58 LEU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 6265 1 586 . 1 1 58 58 LEU HB2 H 1 1.02 0.02 . 2 . . . . . . . . 6265 1 587 . 1 1 58 58 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 6265 1 588 . 1 1 58 58 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 6265 1 589 . 1 1 58 58 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 6265 1 590 . 1 1 58 58 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 6265 1 591 . 1 1 58 58 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 6265 1 592 . 1 1 58 58 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 6265 1 593 . 1 1 58 58 LEU CG C 13 26.62 0.20 . 1 . . . . . . . . 6265 1 594 . 1 1 58 58 LEU CD2 C 13 24.40 0.20 . 2 . . . . . . . . 6265 1 595 . 1 1 58 58 LEU HG H 1 1.95 0.02 . 1 . . . . . . . . 6265 1 596 . 1 1 58 58 LEU CD1 C 13 26.15 0.20 . 2 . . . . . . . . 6265 1 597 . 1 1 59 59 THR H H 1 8.22 0.02 . 1 . . . . . . . . 6265 1 598 . 1 1 59 59 THR N N 15 121.73 0.15 . 1 . . . . . . . . 6265 1 599 . 1 1 59 59 THR CA C 13 59.66 0.20 . 1 . . . . . . . . 6265 1 600 . 1 1 59 59 THR CB C 13 71.33 0.20 . 1 . . . . . . . . 6265 1 601 . 1 1 59 59 THR HA H 1 4.97 0.02 . 1 . . . . . . . . 6265 1 602 . 1 1 59 59 THR HB H 1 3.92 0.02 . 1 . . . . . . . . 6265 1 603 . 1 1 59 59 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 6265 1 604 . 1 1 59 59 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 6265 1 605 . 1 1 59 59 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 6265 1 606 . 1 1 59 59 THR CG2 C 13 20.70 0.20 . 1 . . . . . . . . 6265 1 607 . 1 1 60 60 PRO HA H 1 4.29 0.02 . 1 . . . . . . . . 6265 1 608 . 1 1 60 60 PRO CA C 13 63.41 0.20 . 1 . . . . . . . . 6265 1 609 . 1 1 60 60 PRO HB2 H 1 0.83 0.02 . 2 . . . . . . . . 6265 1 610 . 1 1 60 60 PRO HD3 H 1 3.98 0.02 . 2 . . . . . . . . 6265 1 611 . 1 1 60 60 PRO HD2 H 1 3.66 0.02 . 2 . . . . . . . . 6265 1 612 . 1 1 60 60 PRO CD C 13 51.33 0.20 . 1 . . . . . . . . 6265 1 613 . 1 1 60 60 PRO HG3 H 1 2.07 0.02 . 2 . . . . . . . . 6265 1 614 . 1 1 60 60 PRO HG2 H 1 1.84 0.02 . 2 . . . . . . . . 6265 1 615 . 1 1 60 60 PRO CB C 13 31.35 0.20 . 1 . . . . . . . . 6265 1 616 . 1 1 60 60 PRO CG C 13 28.42 0.20 . 1 . . . . . . . . 6265 1 617 . 1 1 60 60 PRO HB3 H 1 1.92 0.02 . 2 . . . . . . . . 6265 1 618 . 1 1 61 61 ASN HA H 1 4.83 0.02 . 1 . . . . . . . . 6265 1 619 . 1 1 61 61 ASN CA C 13 49.23 0.20 . 1 . . . . . . . . 6265 1 620 . 1 1 61 61 ASN HB3 H 1 3.03 0.02 . 2 . . . . . . . . 6265 1 621 . 1 1 61 61 ASN CB C 13 36.51 0.20 . 1 . . . . . . . . 6265 1 622 . 1 1 61 61 ASN HB2 H 1 2.01 0.02 . 2 . . . . . . . . 6265 1 623 . 1 1 61 61 ASN H H 1 8.10 0.02 . 1 . . . . . . . . 6265 1 624 . 1 1 61 61 ASN N N 15 119.37 0.15 . 1 . . . . . . . . 6265 1 625 . 1 1 62 62 TYR H H 1 7.33 0.02 . 1 . . . . . . . . 6265 1 626 . 1 1 62 62 TYR N N 15 119.21 0.15 . 1 . . . . . . . . 6265 1 627 . 1 1 62 62 TYR CA C 13 63.09 0.20 . 1 . . . . . . . . 6265 1 628 . 1 1 62 62 TYR HA H 1 4.26 0.02 . 1 . . . . . . . . 6265 1 629 . 1 1 62 62 TYR HB3 H 1 3.17 0.02 . 2 . . . . . . . . 6265 1 630 . 1 1 62 62 TYR HB2 H 1 2.80 0.02 . 2 . . . . . . . . 6265 1 631 . 1 1 62 62 TYR CB C 13 37.26 0.20 . 1 . . . . . . . . 6265 1 632 . 1 1 62 62 TYR HD1 H 1 7.21 0.02 . 3 . . . . . . . . 6265 1 633 . 1 1 62 62 TYR CD1 C 13 132.52 0.20 . 3 . . . . . . . . 6265 1 634 . 1 1 62 62 TYR HE1 H 1 7.12 0.02 . 3 . . . . . . . . 6265 1 635 . 1 1 62 62 TYR CE1 C 13 118.67 0.20 . 3 . . . . . . . . 6265 1 636 . 1 1 63 63 VAL H H 1 9.29 0.02 . 1 . . . . . . . . 6265 1 637 . 1 1 63 63 VAL N N 15 120.20 0.15 . 1 . . . . . . . . 6265 1 638 . 1 1 63 63 VAL HA H 1 4.14 0.02 . 1 . . . . . . . . 6265 1 639 . 1 1 63 63 VAL CA C 13 64.76 0.20 . 1 . . . . . . . . 6265 1 640 . 1 1 63 63 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 6265 1 641 . 1 1 63 63 VAL HG11 H 1 1.23 0.02 . 2 . . . . . . . . 6265 1 642 . 1 1 63 63 VAL HG12 H 1 1.23 0.02 . 2 . . . . . . . . 6265 1 643 . 1 1 63 63 VAL HG13 H 1 1.23 0.02 . 2 . . . . . . . . 6265 1 644 . 1 1 63 63 VAL CG1 C 13 23.09 0.20 . 2 . . . . . . . . 6265 1 645 . 1 1 63 63 VAL HG21 H 1 1.12 0.02 . 2 . . . . . . . . 6265 1 646 . 1 1 63 63 VAL HG22 H 1 1.12 0.02 . 2 . . . . . . . . 6265 1 647 . 1 1 63 63 VAL HG23 H 1 1.12 0.02 . 2 . . . . . . . . 6265 1 648 . 1 1 63 63 VAL CB C 13 30.60 0.20 . 1 . . . . . . . . 6265 1 649 . 1 1 63 63 VAL CG2 C 13 21.97 0.20 . 2 . . . . . . . . 6265 1 650 . 1 1 64 64 LEU H H 1 6.72 0.02 . 1 . . . . . . . . 6265 1 651 . 1 1 64 64 LEU N N 15 122.34 0.15 . 1 . . . . . . . . 6265 1 652 . 1 1 64 64 LEU CB C 13 42.23 0.20 . 1 . . . . . . . . 6265 1 653 . 1 1 64 64 LEU CA C 13 56.88 0.20 . 1 . . . . . . . . 6265 1 654 . 1 1 64 64 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 6265 1 655 . 1 1 64 64 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 6265 1 656 . 1 1 64 64 LEU CG C 13 27.04 0.20 . 1 . . . . . . . . 6265 1 657 . 1 1 64 64 LEU HG H 1 1.05 0.02 . 1 . . . . . . . . 6265 1 658 . 1 1 64 64 LEU HB2 H 1 1.20 0.02 . 2 . . . . . . . . 6265 1 659 . 1 1 64 64 LEU HD21 H 1 0.99 0.02 . 2 . . . . . . . . 6265 1 660 . 1 1 64 64 LEU HD22 H 1 0.99 0.02 . 2 . . . . . . . . 6265 1 661 . 1 1 64 64 LEU HD23 H 1 0.99 0.02 . 2 . . . . . . . . 6265 1 662 . 1 1 64 64 LEU CD2 C 13 23.77 0.20 . 2 . . . . . . . . 6265 1 663 . 1 1 64 64 LEU HD11 H 1 1.72 0.02 . 2 . . . . . . . . 6265 1 664 . 1 1 64 64 LEU HD12 H 1 1.72 0.02 . 2 . . . . . . . . 6265 1 665 . 1 1 64 64 LEU HD13 H 1 1.72 0.02 . 2 . . . . . . . . 6265 1 666 . 1 1 64 64 LEU CD1 C 13 26.91 0.20 . 2 . . . . . . . . 6265 1 667 . 1 1 65 65 LYS H H 1 8.03 0.02 . 1 . . . . . . . . 6265 1 668 . 1 1 65 65 LYS N N 15 119.18 0.15 . 1 . . . . . . . . 6265 1 669 . 1 1 65 65 LYS CA C 13 60.11 0.20 . 1 . . . . . . . . 6265 1 670 . 1 1 65 65 LYS CB C 13 32.52 0.20 . 1 . . . . . . . . 6265 1 671 . 1 1 65 65 LYS HA H 1 3.76 0.02 . 1 . . . . . . . . 6265 1 672 . 1 1 65 65 LYS HB3 H 1 2.33 0.02 . 2 . . . . . . . . 6265 1 673 . 1 1 65 65 LYS HG3 H 1 1.57 0.02 . 2 . . . . . . . . 6265 1 674 . 1 1 65 65 LYS CG C 13 25.14 0.20 . 1 . . . . . . . . 6265 1 675 . 1 1 65 65 LYS HE3 H 1 3.23 0.02 . 2 . . . . . . . . 6265 1 676 . 1 1 65 65 LYS HE2 H 1 3.17 0.02 . 2 . . . . . . . . 6265 1 677 . 1 1 65 65 LYS CE C 13 42.20 0.20 . 1 . . . . . . . . 6265 1 678 . 1 1 65 65 LYS HD3 H 1 2.03 0.02 . 2 . . . . . . . . 6265 1 679 . 1 1 65 65 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 6265 1 680 . 1 1 65 65 LYS CD C 13 29.49 0.20 . 1 . . . . . . . . 6265 1 681 . 1 1 65 65 LYS HD2 H 1 1.87 0.02 . 2 . . . . . . . . 6265 1 682 . 1 1 65 65 LYS HG2 H 1 1.54 0.02 . 2 . . . . . . . . 6265 1 683 . 1 1 66 66 SER H H 1 8.18 0.02 . 1 . . . . . . . . 6265 1 684 . 1 1 66 66 SER N N 15 114.82 0.15 . 1 . . . . . . . . 6265 1 685 . 1 1 66 66 SER CA C 13 62.31 0.20 . 1 . . . . . . . . 6265 1 686 . 1 1 66 66 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 6265 1 687 . 1 1 66 66 SER HB3 H 1 3.77 0.02 . 2 . . . . . . . . 6265 1 688 . 1 1 66 66 SER HB2 H 1 3.57 0.02 . 2 . . . . . . . . 6265 1 689 . 1 1 67 67 LEU H H 1 7.78 0.02 . 1 . . . . . . . . 6265 1 690 . 1 1 67 67 LEU N N 15 124.20 0.15 . 1 . . . . . . . . 6265 1 691 . 1 1 67 67 LEU CB C 13 42.23 0.20 . 1 . . . . . . . . 6265 1 692 . 1 1 67 67 LEU CA C 13 58.14 0.20 . 1 . . . . . . . . 6265 1 693 . 1 1 67 67 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 6265 1 694 . 1 1 67 67 LEU HB3 H 1 1.83 0.02 . 2 . . . . . . . . 6265 1 695 . 1 1 67 67 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 6265 1 696 . 1 1 67 67 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 6265 1 697 . 1 1 67 67 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 6265 1 698 . 1 1 67 67 LEU CD2 C 13 24.36 0.20 . 2 . . . . . . . . 6265 1 699 . 1 1 67 67 LEU HB2 H 1 1.50 0.02 . 2 . . . . . . . . 6265 1 700 . 1 1 67 67 LEU CG C 13 27.20 0.20 . 1 . . . . . . . . 6265 1 701 . 1 1 67 67 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 6265 1 702 . 1 1 67 67 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 6265 1 703 . 1 1 67 67 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 6265 1 704 . 1 1 67 67 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 6265 1 705 . 1 1 67 67 LEU CD1 C 13 26.30 0.20 . 2 . . . . . . . . 6265 1 706 . 1 1 68 68 ILE H H 1 8.41 0.02 . 1 . . . . . . . . 6265 1 707 . 1 1 68 68 ILE N N 15 121.72 0.15 . 1 . . . . . . . . 6265 1 708 . 1 1 68 68 ILE CA C 13 65.82 0.20 . 1 . . . . . . . . 6265 1 709 . 1 1 68 68 ILE CB C 13 37.91 0.20 . 1 . . . . . . . . 6265 1 710 . 1 1 68 68 ILE HA H 1 3.03 0.02 . 1 . . . . . . . . 6265 1 711 . 1 1 68 68 ILE CD1 C 13 14.11 0.20 . 1 . . . . . . . . 6265 1 712 . 1 1 68 68 ILE HG13 H 1 1.03 0.02 . 2 . . . . . . . . 6265 1 713 . 1 1 68 68 ILE CG2 C 13 17.37 0.20 . 1 . . . . . . . . 6265 1 714 . 1 1 68 68 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 6265 1 715 . 1 1 68 68 ILE HD11 H 1 0.65 0.02 . 1 . . . . . . . . 6265 1 716 . 1 1 68 68 ILE HD12 H 1 0.65 0.02 . 1 . . . . . . . . 6265 1 717 . 1 1 68 68 ILE HD13 H 1 0.65 0.02 . 1 . . . . . . . . 6265 1 718 . 1 1 68 68 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 6265 1 719 . 1 1 68 68 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 6265 1 720 . 1 1 68 68 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 6265 1 721 . 1 1 68 68 ILE CG1 C 13 28.89 0.20 . 1 . . . . . . . . 6265 1 722 . 1 1 68 68 ILE HG12 H 1 -0.61 0.02 . 2 . . . . . . . . 6265 1 723 . 1 1 69 69 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 6265 1 724 . 1 1 69 69 ALA N N 15 122.91 0.15 . 1 . . . . . . . . 6265 1 725 . 1 1 69 69 ALA CA C 13 55.57 0.20 . 1 . . . . . . . . 6265 1 726 . 1 1 69 69 ALA CB C 13 17.71 0.20 . 1 . . . . . . . . 6265 1 727 . 1 1 69 69 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 6265 1 728 . 1 1 69 69 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 6265 1 729 . 1 1 69 69 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 6265 1 730 . 1 1 69 69 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 6265 1 731 . 1 1 70 70 LEU H H 1 7.89 0.02 . 1 . . . . . . . . 6265 1 732 . 1 1 70 70 LEU N N 15 119.34 0.15 . 1 . . . . . . . . 6265 1 733 . 1 1 70 70 LEU CA C 13 57.74 0.20 . 1 . . . . . . . . 6265 1 734 . 1 1 70 70 LEU CB C 13 42.16 0.20 . 1 . . . . . . . . 6265 1 735 . 1 1 70 70 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 6265 1 736 . 1 1 70 70 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6265 1 737 . 1 1 70 70 LEU HD11 H 1 1.01 0.02 . 2 . . . . . . . . 6265 1 738 . 1 1 70 70 LEU HD12 H 1 1.01 0.02 . 2 . . . . . . . . 6265 1 739 . 1 1 70 70 LEU HD13 H 1 1.01 0.02 . 2 . . . . . . . . 6265 1 740 . 1 1 70 70 LEU CD1 C 13 24.34 0.20 . 2 . . . . . . . . 6265 1 741 . 1 1 70 70 LEU CG C 13 27.01 0.20 . 1 . . . . . . . . 6265 1 742 . 1 1 70 70 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 6265 1 743 . 1 1 71 71 TRP H H 1 8.50 0.02 . 1 . . . . . . . . 6265 1 744 . 1 1 71 71 TRP N N 15 123.12 0.15 . 1 . . . . . . . . 6265 1 745 . 1 1 71 71 TRP CA C 13 62.43 0.20 . 1 . . . . . . . . 6265 1 746 . 1 1 71 71 TRP CB C 13 29.49 0.20 . 1 . . . . . . . . 6265 1 747 . 1 1 71 71 TRP HA H 1 4.22 0.02 . 1 . . . . . . . . 6265 1 748 . 1 1 71 71 TRP HB3 H 1 3.82 0.02 . 2 . . . . . . . . 6265 1 749 . 1 1 71 71 TRP HB2 H 1 3.67 0.02 . 2 . . . . . . . . 6265 1 750 . 1 1 71 71 TRP HZ2 H 1 7.51 0.02 . 1 . . . . . . . . 6265 1 751 . 1 1 71 71 TRP CZ2 C 13 114.74 0.20 . 1 . . . . . . . . 6265 1 752 . 1 1 71 71 TRP CH2 C 13 124.65 0.20 . 1 . . . . . . . . 6265 1 753 . 1 1 71 71 TRP HH2 H 1 7.24 0.02 . 1 . . . . . . . . 6265 1 754 . 1 1 71 71 TRP HZ3 H 1 7.89 0.02 . 1 . . . . . . . . 6265 1 755 . 1 1 71 71 TRP CZ3 C 13 120.83 0.20 . 1 . . . . . . . . 6265 1 756 . 1 1 71 71 TRP HE3 H 1 7.19 0.02 . 1 . . . . . . . . 6265 1 757 . 1 1 71 71 TRP CE3 C 13 122.35 0.20 . 1 . . . . . . . . 6265 1 758 . 1 1 71 71 TRP HD1 H 1 7.48 0.02 . 1 . . . . . . . . 6265 1 759 . 1 1 71 71 TRP CD1 C 13 126.70 0.20 . 1 . . . . . . . . 6265 1 760 . 1 1 72 72 CYS H H 1 9.14 0.02 . 1 . . . . . . . . 6265 1 761 . 1 1 72 72 CYS N N 15 118.39 0.15 . 1 . . . . . . . . 6265 1 762 . 1 1 72 72 CYS CA C 13 64.29 0.20 . 1 . . . . . . . . 6265 1 763 . 1 1 72 72 CYS CB C 13 26.59 0.20 . 1 . . . . . . . . 6265 1 764 . 1 1 72 72 CYS HA H 1 4.03 0.02 . 1 . . . . . . . . 6265 1 765 . 1 1 72 72 CYS HB3 H 1 3.29 0.02 . 2 . . . . . . . . 6265 1 766 . 1 1 72 72 CYS HB2 H 1 3.19 0.02 . 2 . . . . . . . . 6265 1 767 . 1 1 73 73 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 6265 1 768 . 1 1 73 73 GLU N N 15 120.11 0.15 . 1 . . . . . . . . 6265 1 769 . 1 1 73 73 GLU CA C 13 58.90 0.20 . 1 . . . . . . . . 6265 1 770 . 1 1 73 73 GLU CB C 13 29.61 0.20 . 1 . . . . . . . . 6265 1 771 . 1 1 73 73 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 6265 1 772 . 1 1 73 73 GLU HB2 H 1 2.20 0.02 . 2 . . . . . . . . 6265 1 773 . 1 1 73 73 GLU CG C 13 36.26 0.20 . 1 . . . . . . . . 6265 1 774 . 1 1 73 73 GLU HG3 H 1 2.44 0.02 . 2 . . . . . . . . 6265 1 775 . 1 1 73 73 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 6265 1 776 . 1 1 73 73 GLU HB3 H 1 2.22 0.02 . 2 . . . . . . . . 6265 1 777 . 1 1 74 74 SER H H 1 8.09 0.02 . 1 . . . . . . . . 6265 1 778 . 1 1 74 74 SER N N 15 113.86 0.15 . 1 . . . . . . . . 6265 1 779 . 1 1 74 74 SER CA C 13 60.25 0.20 . 1 . . . . . . . . 6265 1 780 . 1 1 74 74 SER CB C 13 63.33 0.20 . 1 . . . . . . . . 6265 1 781 . 1 1 74 74 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 6265 1 782 . 1 1 74 74 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 6265 1 783 . 1 1 75 75 ASN H H 1 7.51 0.02 . 1 . . . . . . . . 6265 1 784 . 1 1 75 75 ASN CA C 13 53.75 0.20 . 1 . . . . . . . . 6265 1 785 . 1 1 75 75 ASN CB C 13 39.50 0.20 . 1 . . . . . . . . 6265 1 786 . 1 1 75 75 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 6265 1 787 . 1 1 75 75 ASN HB3 H 1 2.39 0.02 . 2 . . . . . . . . 6265 1 788 . 1 1 75 75 ASN HB2 H 1 1.73 0.02 . 2 . . . . . . . . 6265 1 789 . 1 1 76 76 GLY CA C 13 46.47 0.20 . 1 . . . . . . . . 6265 1 790 . 1 1 76 76 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 6265 1 791 . 1 1 76 76 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 6265 1 792 . 1 1 77 77 ILE H H 1 8.00 0.02 . 1 . . . . . . . . 6265 1 793 . 1 1 77 77 ILE N N 15 120.17 0.15 . 1 . . . . . . . . 6265 1 794 . 1 1 77 77 ILE CA C 13 60.32 0.20 . 1 . . . . . . . . 6265 1 795 . 1 1 77 77 ILE CB C 13 38.67 0.20 . 1 . . . . . . . . 6265 1 796 . 1 1 77 77 ILE HA H 1 4.26 0.02 . 1 . . . . . . . . 6265 1 797 . 1 1 77 77 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 6265 1 798 . 1 1 77 77 ILE HG21 H 1 1.07 0.02 . 1 . . . . . . . . 6265 1 799 . 1 1 77 77 ILE HG22 H 1 1.07 0.02 . 1 . . . . . . . . 6265 1 800 . 1 1 77 77 ILE HG23 H 1 1.07 0.02 . 1 . . . . . . . . 6265 1 801 . 1 1 77 77 ILE HG13 H 1 1.51 0.02 . 2 . . . . . . . . 6265 1 802 . 1 1 77 77 ILE CG1 C 13 27.42 0.20 . 1 . . . . . . . . 6265 1 803 . 1 1 77 77 ILE HG12 H 1 1.21 0.02 . 2 . . . . . . . . 6265 1 804 . 1 1 77 77 ILE HD11 H 1 0.95 0.02 . 1 . . . . . . . . 6265 1 805 . 1 1 77 77 ILE HD12 H 1 0.95 0.02 . 1 . . . . . . . . 6265 1 806 . 1 1 77 77 ILE HD13 H 1 0.95 0.02 . 1 . . . . . . . . 6265 1 807 . 1 1 77 77 ILE CG2 C 13 17.52 0.20 . 1 . . . . . . . . 6265 1 808 . 1 1 77 77 ILE CD1 C 13 12.57 0.20 . 1 . . . . . . . . 6265 1 809 . 1 1 78 78 GLU H H 1 8.04 0.02 . 1 . . . . . . . . 6265 1 810 . 1 1 78 78 GLU N N 15 130.81 0.15 . 1 . . . . . . . . 6265 1 811 . 1 1 78 78 GLU CA C 13 57.89 0.20 . 1 . . . . . . . . 6265 1 812 . 1 1 78 78 GLU CB C 13 31.56 0.20 . 1 . . . . . . . . 6265 1 813 . 1 1 78 78 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 6265 1 814 . 1 1 78 78 GLU HB3 H 1 2.08 0.02 . 2 . . . . . . . . 6265 1 815 . 1 1 78 78 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 6265 1 816 . 1 1 78 78 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6265 1 817 . 1 1 78 78 GLU CG C 13 36.61 0.20 . 1 . . . . . . . . 6265 1 stop_ save_