data_6829 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6829 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 ; Solution structures of the Chitin-binding Domain of Hyperthermophilic Chitinase from Pyrococcus furiosus ; 'Structure analysis' ; The data from the entries that make up this study were used to determine the structure of Chitin-binding Domain of Hyperthermophilic Chitinase ; 6829 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'Chemical shift' 6829 1 . 'NMR structure' 6829 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6829 _Entry.Title ; Chemical shift assignments for Chitin-binding Domain of Hyperthermophilic Chitinase from Pyrococcus furiosus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-20 _Entry.Accession_date 2005-09-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Koichi Uegaki . . . 6829 2 Takahisa Ikegami . . . 6829 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6829 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 6829 '15N chemical shifts' 109 6829 '1H chemical shifts' 671 6829 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-09 2005-09-20 update BMRB 'complete entry citation' 6829 1 . . 2006-10-17 2005-09-20 original author 'original release' 6829 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6829 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17016669 _Citation.Full_citation . _Citation.Title ; NMR assignment of the chitin-binding domain of a hyperthermophilic chitinase from Pyrococcus furiosus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 70 _Citation.Page_last 70 _Citation.Year 2006 _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 Shouhei Mine . . . 6829 1 2 Tsutomu Nakamura . . . 6829 1 3 Yoshihisa Hagihara . . . 6829 1 4 Kazuhiko Ishikawa . . . 6829 1 5 Takahisa Ikegami . . . 6829 1 6 Koichi Uegaki . . . 6829 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6829 1 Structure 6829 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6829 _Assembly.ID 1 _Assembly.Name 'Chitin binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 10957 _Assembly.Enzyme_commission_number 3.2.1.14 _Assembly.Details monomer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Chitin binding domain' 1 $Chitin_binding_domain_of_chitinase . . yes native no no . 'Chitin binding' . 6829 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2CWR . . X-ray . 'crystal structure of this entry protein' . 6829 1 yes PDB 2CZN . . NMR . 'Relationship between the database entry and this BMRB entry.' . 6829 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'chitin binding' 6829 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Chitin_binding_domain_of_chitinase _Entity.Sf_category entity _Entity.Sf_framecode Chitin_binding_domain_of_chitinase _Entity.Entry_ID 6829 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chitin binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPTTPVPVSGSLEVKVNDWG SGAEYDVTLNLDGQYDWTVK VKLAPGATVGSFWSANKQEG NGYVIFTPVSWNKGPTATFG FIVNGPQGDKVEEITLEING QVI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10957 _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 2CWR . "Crystal Structure Of Chitin Biding Domain Of Chitinase From Pyrococcus Furiosus" . . . . . 100.00 103 100.00 100.00 2.63e-65 . . . . 6829 1 2 no PDB 2CZN . "Solution Structure Of The Chitin-Binding Domain Of Hyperthermophilic Chitinase From Pyrococcus Furiosus" . . . . . 100.00 103 100.00 100.00 2.63e-65 . . . . 6829 1 3 no GB AAL81357 . "putative chitinase [Pyrococcus furiosus DSM 3638]" . . . . . 98.06 717 100.00 100.00 4.73e-59 . . . . 6829 1 4 no GB AFN04020 . "chitinase [Pyrococcus furiosus COM1]" . . . . . 98.06 717 100.00 100.00 4.73e-59 . . . . 6829 1 5 no REF NP_578962 . "chitinase [Pyrococcus furiosus DSM 3638]" . . . . . 98.06 717 100.00 100.00 4.73e-59 . . . . 6829 1 6 no REF WP_011012376 . "chitinase [Pyrococcus furiosus]" . . . . . 98.06 717 100.00 100.00 4.73e-59 . . . . 6829 1 7 no REF YP_006492312 . "chitinase [Pyrococcus furiosus COM1]" . . . . . 98.06 717 100.00 100.00 4.73e-59 . . . . 6829 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 1 256 GLY . 6829 1 2 257 PRO . 6829 1 3 258 THR . 6829 1 4 259 THR . 6829 1 5 260 PRO . 6829 1 6 261 VAL . 6829 1 7 262 PRO . 6829 1 8 263 VAL . 6829 1 9 264 SER . 6829 1 10 265 GLY . 6829 1 11 266 SER . 6829 1 12 267 LEU . 6829 1 13 268 GLU . 6829 1 14 269 VAL . 6829 1 15 270 LYS . 6829 1 16 271 VAL . 6829 1 17 272 ASN . 6829 1 18 273 ASP . 6829 1 19 274 TRP . 6829 1 20 275 GLY . 6829 1 21 276 SER . 6829 1 22 277 GLY . 6829 1 23 278 ALA . 6829 1 24 279 GLU . 6829 1 25 280 TYR . 6829 1 26 281 ASP . 6829 1 27 282 VAL . 6829 1 28 283 THR . 6829 1 29 284 LEU . 6829 1 30 285 ASN . 6829 1 31 286 LEU . 6829 1 32 287 ASP . 6829 1 33 288 GLY . 6829 1 34 289 GLN . 6829 1 35 290 TYR . 6829 1 36 291 ASP . 6829 1 37 292 TRP . 6829 1 38 293 THR . 6829 1 39 294 VAL . 6829 1 40 295 LYS . 6829 1 41 296 VAL . 6829 1 42 297 LYS . 6829 1 43 298 LEU . 6829 1 44 299 ALA . 6829 1 45 300 PRO . 6829 1 46 301 GLY . 6829 1 47 302 ALA . 6829 1 48 303 THR . 6829 1 49 304 VAL . 6829 1 50 305 GLY . 6829 1 51 306 SER . 6829 1 52 307 PHE . 6829 1 53 308 TRP . 6829 1 54 309 SER . 6829 1 55 310 ALA . 6829 1 56 311 ASN . 6829 1 57 312 LYS . 6829 1 58 313 GLN . 6829 1 59 314 GLU . 6829 1 60 315 GLY . 6829 1 61 316 ASN . 6829 1 62 317 GLY . 6829 1 63 318 TYR . 6829 1 64 319 VAL . 6829 1 65 320 ILE . 6829 1 66 321 PHE . 6829 1 67 322 THR . 6829 1 68 323 PRO . 6829 1 69 324 VAL . 6829 1 70 325 SER . 6829 1 71 326 TRP . 6829 1 72 327 ASN . 6829 1 73 328 LYS . 6829 1 74 329 GLY . 6829 1 75 330 PRO . 6829 1 76 331 THR . 6829 1 77 332 ALA . 6829 1 78 333 THR . 6829 1 79 334 PHE . 6829 1 80 335 GLY . 6829 1 81 336 PHE . 6829 1 82 337 ILE . 6829 1 83 338 VAL . 6829 1 84 339 ASN . 6829 1 85 340 GLY . 6829 1 86 341 PRO . 6829 1 87 342 GLN . 6829 1 88 343 GLY . 6829 1 89 344 ASP . 6829 1 90 345 LYS . 6829 1 91 346 VAL . 6829 1 92 347 GLU . 6829 1 93 348 GLU . 6829 1 94 349 ILE . 6829 1 95 350 THR . 6829 1 96 351 LEU . 6829 1 97 352 GLU . 6829 1 98 353 ILE . 6829 1 99 354 ASN . 6829 1 100 355 GLY . 6829 1 101 356 GLN . 6829 1 102 357 VAL . 6829 1 103 358 ILE . 6829 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 6829 1 . PRO 2 2 6829 1 . THR 3 3 6829 1 . THR 4 4 6829 1 . PRO 5 5 6829 1 . VAL 6 6 6829 1 . PRO 7 7 6829 1 . VAL 8 8 6829 1 . SER 9 9 6829 1 . GLY 10 10 6829 1 . SER 11 11 6829 1 . LEU 12 12 6829 1 . GLU 13 13 6829 1 . VAL 14 14 6829 1 . LYS 15 15 6829 1 . VAL 16 16 6829 1 . ASN 17 17 6829 1 . ASP 18 18 6829 1 . TRP 19 19 6829 1 . GLY 20 20 6829 1 . SER 21 21 6829 1 . GLY 22 22 6829 1 . ALA 23 23 6829 1 . GLU 24 24 6829 1 . TYR 25 25 6829 1 . ASP 26 26 6829 1 . VAL 27 27 6829 1 . THR 28 28 6829 1 . LEU 29 29 6829 1 . ASN 30 30 6829 1 . LEU 31 31 6829 1 . ASP 32 32 6829 1 . GLY 33 33 6829 1 . GLN 34 34 6829 1 . TYR 35 35 6829 1 . ASP 36 36 6829 1 . TRP 37 37 6829 1 . THR 38 38 6829 1 . VAL 39 39 6829 1 . LYS 40 40 6829 1 . VAL 41 41 6829 1 . LYS 42 42 6829 1 . LEU 43 43 6829 1 . ALA 44 44 6829 1 . PRO 45 45 6829 1 . GLY 46 46 6829 1 . ALA 47 47 6829 1 . THR 48 48 6829 1 . VAL 49 49 6829 1 . GLY 50 50 6829 1 . SER 51 51 6829 1 . PHE 52 52 6829 1 . TRP 53 53 6829 1 . SER 54 54 6829 1 . ALA 55 55 6829 1 . ASN 56 56 6829 1 . LYS 57 57 6829 1 . GLN 58 58 6829 1 . GLU 59 59 6829 1 . GLY 60 60 6829 1 . ASN 61 61 6829 1 . GLY 62 62 6829 1 . TYR 63 63 6829 1 . VAL 64 64 6829 1 . ILE 65 65 6829 1 . PHE 66 66 6829 1 . THR 67 67 6829 1 . PRO 68 68 6829 1 . VAL 69 69 6829 1 . SER 70 70 6829 1 . TRP 71 71 6829 1 . ASN 72 72 6829 1 . LYS 73 73 6829 1 . GLY 74 74 6829 1 . PRO 75 75 6829 1 . THR 76 76 6829 1 . ALA 77 77 6829 1 . THR 78 78 6829 1 . PHE 79 79 6829 1 . GLY 80 80 6829 1 . PHE 81 81 6829 1 . ILE 82 82 6829 1 . VAL 83 83 6829 1 . ASN 84 84 6829 1 . GLY 85 85 6829 1 . PRO 86 86 6829 1 . GLN 87 87 6829 1 . GLY 88 88 6829 1 . ASP 89 89 6829 1 . LYS 90 90 6829 1 . VAL 91 91 6829 1 . GLU 92 92 6829 1 . GLU 93 93 6829 1 . ILE 94 94 6829 1 . THR 95 95 6829 1 . LEU 96 96 6829 1 . GLU 97 97 6829 1 . ILE 98 98 6829 1 . ASN 99 99 6829 1 . GLY 100 100 6829 1 . GLN 101 101 6829 1 . VAL 102 102 6829 1 . ILE 103 103 6829 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 6829 _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 $Chitin_binding_domain_of_chitinase . 2261 organism no . 'Pyrococcus furiosus' . . Archaea 'Not applicable' Pyrococcus furiosus . . . . . . . . . . . . . . . . . . . . . 6829 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $Chitin_binding_domain_of_chitinase . DDBJ . pF1233 original pF1233 . . 6829 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 6829 _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 $Chitin_binding_domain_of_chitinase . 'recombinant technology' . 'E. coli' BL(21)DE3 . . . . . . . . . . . . . . . . . . . . . . . . . . 6829 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6829 _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 'Chitin binding domain' '[U-95% 13C; U-95% 15N]' . . 1 $Chitin_binding_domain_of_chitinase . . 1.8 . . mM 0.2 . . . 6829 1 2 'KH2PO4 / K2HPO4' . . . . . . . 20 . . mM . . . . 6829 1 3 NaCl . . . . . . . 25 . . mM . . . . 6829 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6829 _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 'Chitin binding domain' '[U-10% 13C]' . . 1 $Chitin_binding_domain_of_chitinase . . 1.8 . . mM 0.2 . . . 6829 2 2 'KH2PO4 / K2HPO4' . . . . . . . 20 . . mM . . . . 6829 2 3 NaCl . . . . . . . 25 . . mM . . . . 6829 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6829 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM KH2PO4 / K2HPO4, 25 mM NaCl at pH 5.7' 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 pD 5.7 0.1 pH 6829 1 temperature 303 0.2 K 6829 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_400MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 400MHz_spectrometer _NMR_spectrometer.Entry_ID 6829 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6829 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6829 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6829 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6829 _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 1H15N_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 2 'Homonuclear TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 3 'Homonuclear NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 4 '1H-13C CT-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 5 CBCACOHN no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 6 CBCANH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 7 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 8 HNCACO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 9 CCONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 10 HCCONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 11 HBHACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 12 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 13 (HB)CB(CGCD)HD no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 14 (HB)CB(CGCDCE)HE no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 15 '1H-15N NOESY-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 16 '1H-13C NOESY-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6829 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N 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_Homonuclear_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode Homonuclear_TOCSY _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'Homonuclear 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_Homonuclear_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode Homonuclear_NOESY _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'Homonuclear 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_1H-13C_CT-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C_CT-HSQC _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C CT-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_CBCACOHN _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACOHN _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACOHN _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_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCANH _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 7 _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_HNCACO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACO _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACO _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_CCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCONH _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CCONH _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_HCCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCONH _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCONH _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_HBHACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHACONH _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBHACONH _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_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCH-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_(HB)CB(CGCD)HD _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (HB)CB(CGCD)HD _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 13 _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_(HB)CB(CGCDCE)HE _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (HB)CB(CGCDCE)HE _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _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_1H-15N_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_NOESY-HSQC _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '1H-15N NOESY-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_1H-13C_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C_NOESY-HSQC _NMR_spec_expt.Entry_ID 6829 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '1H-13C NOESY-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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6829 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6829 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6829 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6829 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6829 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 6829 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.586 0.001 . 2 . . . . 256 GLY HA2 . 6829 1 2 . 1 1 1 1 GLY HA3 H 1 3.963 0.014 . 2 . . . . 256 GLY HA3 . 6829 1 3 . 1 1 1 1 GLY CA C 13 43.028 0.099 . 1 . . . . 256 GLY CA . 6829 1 4 . 1 1 2 2 PRO HA H 1 4.538 0.004 . 1 . . . . 257 PRO HA . 6829 1 5 . 1 1 2 2 PRO HB2 H 1 1.967 0.019 . 2 . . . . 257 PRO HB2 . 6829 1 6 . 1 1 2 2 PRO HB3 H 1 2.284 0.004 . 2 . . . . 257 PRO HB3 . 6829 1 7 . 1 1 2 2 PRO HG2 H 1 2 0.003 . 2 . . . . 257 PRO HG2 . 6829 1 8 . 1 1 2 2 PRO HD2 H 1 3.583 0.017 . 2 . . . . 257 PRO HD2 . 6829 1 9 . 1 1 2 2 PRO HD3 H 1 3.604 0.01 . 2 . . . . 257 PRO HD3 . 6829 1 10 . 1 1 2 2 PRO C C 13 177.055 0.001 . 1 . . . . 257 PRO C . 6829 1 11 . 1 1 2 2 PRO CA C 13 63.093 0.062 . 1 . . . . 257 PRO CA . 6829 1 12 . 1 1 2 2 PRO CB C 13 32.308 0.047 . 1 . . . . 257 PRO CB . 6829 1 13 . 1 1 2 2 PRO CG C 13 27.088 0.092 . 1 . . . . 257 PRO CG . 6829 1 14 . 1 1 2 2 PRO CD C 13 49.649 0.058 . 1 . . . . 257 PRO CD . 6829 1 15 . 1 1 3 3 THR H H 1 8.341 0.008 . 1 . . . . 258 THR H . 6829 1 16 . 1 1 3 3 THR HA H 1 4.375 0.006 . 1 . . . . 258 THR HA . 6829 1 17 . 1 1 3 3 THR HB H 1 4.217 0.006 . 1 . . . . 258 THR HB . 6829 1 18 . 1 1 3 3 THR HG21 H 1 1.199 0.004 . 1 . . . . 258 THR HG2 . 6829 1 19 . 1 1 3 3 THR HG22 H 1 1.199 0.004 . 1 . . . . 258 THR HG2 . 6829 1 20 . 1 1 3 3 THR HG23 H 1 1.199 0.004 . 1 . . . . 258 THR HG2 . 6829 1 21 . 1 1 3 3 THR C C 13 174.463 0.003 . 1 . . . . 258 THR C . 6829 1 22 . 1 1 3 3 THR CA C 13 61.944 0.11 . 1 . . . . 258 THR CA . 6829 1 23 . 1 1 3 3 THR CB C 13 69.778 0.122 . 1 . . . . 258 THR CB . 6829 1 24 . 1 1 3 3 THR CG2 C 13 21.817 0.101 . 1 . . . . 258 THR CG2 . 6829 1 25 . 1 1 3 3 THR N N 15 114.603 0.028 . 1 . . . . 258 THR N . 6829 1 26 . 1 1 4 4 THR H H 1 8.179 0.01 . 1 . . . . 259 THR H . 6829 1 27 . 1 1 4 4 THR HA H 1 4.668 0.004 . 1 . . . . 259 THR HA . 6829 1 28 . 1 1 4 4 THR HB H 1 4.142 0.005 . 1 . . . . 259 THR HB . 6829 1 29 . 1 1 4 4 THR HG21 H 1 1.211 0.004 . 1 . . . . 259 THR HG2 . 6829 1 30 . 1 1 4 4 THR HG22 H 1 1.211 0.004 . 1 . . . . 259 THR HG2 . 6829 1 31 . 1 1 4 4 THR HG23 H 1 1.211 0.004 . 1 . . . . 259 THR HG2 . 6829 1 32 . 1 1 4 4 THR C C 13 172.679 0.08 . 1 . . . . 259 THR C . 6829 1 33 . 1 1 4 4 THR CA C 13 59.366 0.077 . 1 . . . . 259 THR CA . 6829 1 34 . 1 1 4 4 THR CB C 13 69.793 0.029 . 1 . . . . 259 THR CB . 6829 1 35 . 1 1 4 4 THR CG2 C 13 21.463 0.068 . 1 . . . . 259 THR CG2 . 6829 1 36 . 1 1 4 4 THR N N 15 118.857 0.043 . 1 . . . . 259 THR N . 6829 1 37 . 1 1 5 5 PRO HA H 1 4.434 0.008 . 1 . . . . 260 PRO HA . 6829 1 38 . 1 1 5 5 PRO HB2 H 1 1.871 0.008 . 2 . . . . 260 PRO HB2 . 6829 1 39 . 1 1 5 5 PRO HB3 H 1 2.255 0.005 . 2 . . . . 260 PRO HB3 . 6829 1 40 . 1 1 5 5 PRO HG2 H 1 1.971 0.033 . 2 . . . . 260 PRO HG2 . 6829 1 41 . 1 1 5 5 PRO HD2 H 1 3.729 0.024 . 2 . . . . 260 PRO HD2 . 6829 1 42 . 1 1 5 5 PRO HD3 H 1 3.813 0.01 . 2 . . . . 260 PRO HD3 . 6829 1 43 . 1 1 5 5 PRO C C 13 176.469 0.001 . 1 . . . . 260 PRO C . 6829 1 44 . 1 1 5 5 PRO CA C 13 63.091 0.074 . 1 . . . . 260 PRO CA . 6829 1 45 . 1 1 5 5 PRO CB C 13 32.086 0.062 . 1 . . . . 260 PRO CB . 6829 1 46 . 1 1 5 5 PRO CG C 13 27.397 0.089 . 1 . . . . 260 PRO CG . 6829 1 47 . 1 1 5 5 PRO CD C 13 51.13 0.053 . 1 . . . . 260 PRO CD . 6829 1 48 . 1 1 6 6 VAL H H 1 8.107 0.012 . 1 . . . . 261 VAL H . 6829 1 49 . 1 1 6 6 VAL HA H 1 4.377 0.003 . 1 . . . . 261 VAL HA . 6829 1 50 . 1 1 6 6 VAL HB H 1 2.032 0.005 . 1 . . . . 261 VAL HB . 6829 1 51 . 1 1 6 6 VAL HG11 H 1 0.955 0.006 . 1 . . . . 261 VAL HG1 . 6829 1 52 . 1 1 6 6 VAL HG12 H 1 0.955 0.006 . 1 . . . . 261 VAL HG1 . 6829 1 53 . 1 1 6 6 VAL HG13 H 1 0.955 0.006 . 1 . . . . 261 VAL HG1 . 6829 1 54 . 1 1 6 6 VAL HG21 H 1 0.94 0.006 . 1 . . . . 261 VAL HG2 . 6829 1 55 . 1 1 6 6 VAL HG22 H 1 0.94 0.006 . 1 . . . . 261 VAL HG2 . 6829 1 56 . 1 1 6 6 VAL HG23 H 1 0.94 0.006 . 1 . . . . 261 VAL HG2 . 6829 1 57 . 1 1 6 6 VAL C C 13 174.461 0.08 . 1 . . . . 261 VAL C . 6829 1 58 . 1 1 6 6 VAL CA C 13 59.787 0.028 . 1 . . . . 261 VAL CA . 6829 1 59 . 1 1 6 6 VAL CB C 13 32.728 0.054 . 1 . . . . 261 VAL CB . 6829 1 60 . 1 1 6 6 VAL CG1 C 13 21.008 0.066 . 1 . . . . 261 VAL CG1 . 6829 1 61 . 1 1 6 6 VAL CG2 C 13 20.455 0.231 . 1 . . . . 261 VAL CG2 . 6829 1 62 . 1 1 6 6 VAL N N 15 121.602 0.054 . 1 . . . . 261 VAL N . 6829 1 63 . 1 1 7 7 PRO HA H 1 4.45 0.012 . 1 . . . . 262 PRO HA . 6829 1 64 . 1 1 7 7 PRO HB2 H 1 1.894 0.015 . 2 . . . . 262 PRO HB2 . 6829 1 65 . 1 1 7 7 PRO HB3 H 1 2.241 0.009 . 2 . . . . 262 PRO HB3 . 6829 1 66 . 1 1 7 7 PRO HG2 H 1 1.994 0.008 . 2 . . . . 262 PRO HG2 . 6829 1 67 . 1 1 7 7 PRO HD2 H 1 3.637 0.018 . 2 . . . . 262 PRO HD2 . 6829 1 68 . 1 1 7 7 PRO HD3 H 1 3.846 0.011 . 2 . . . . 262 PRO HD3 . 6829 1 69 . 1 1 7 7 PRO C C 13 176.635 0.001 . 1 . . . . 262 PRO C . 6829 1 70 . 1 1 7 7 PRO CA C 13 63.172 0.107 . 1 . . . . 262 PRO CA . 6829 1 71 . 1 1 7 7 PRO CB C 13 32.037 0.032 . 1 . . . . 262 PRO CB . 6829 1 72 . 1 1 7 7 PRO CG C 13 27.426 0.089 . 1 . . . . 262 PRO CG . 6829 1 73 . 1 1 7 7 PRO CD C 13 51.115 0.048 . 1 . . . . 262 PRO CD . 6829 1 74 . 1 1 8 8 VAL H H 1 8.161 0.011 . 1 . . . . 263 VAL H . 6829 1 75 . 1 1 8 8 VAL HA H 1 4.185 0.008 . 1 . . . . 263 VAL HA . 6829 1 76 . 1 1 8 8 VAL HB H 1 1.968 0.006 . 1 . . . . 263 VAL HB . 6829 1 77 . 1 1 8 8 VAL HG11 H 1 0.833 0.016 . 1 . . . . 263 VAL HG1 . 6829 1 78 . 1 1 8 8 VAL HG12 H 1 0.833 0.016 . 1 . . . . 263 VAL HG1 . 6829 1 79 . 1 1 8 8 VAL HG13 H 1 0.833 0.016 . 1 . . . . 263 VAL HG1 . 6829 1 80 . 1 1 8 8 VAL HG21 H 1 0.868 0.003 . 1 . . . . 263 VAL HG2 . 6829 1 81 . 1 1 8 8 VAL HG22 H 1 0.868 0.003 . 1 . . . . 263 VAL HG2 . 6829 1 82 . 1 1 8 8 VAL HG23 H 1 0.868 0.003 . 1 . . . . 263 VAL HG2 . 6829 1 83 . 1 1 8 8 VAL C C 13 175.999 0.001 . 1 . . . . 263 VAL C . 6829 1 84 . 1 1 8 8 VAL CA C 13 62.141 0.062 . 1 . . . . 263 VAL CA . 6829 1 85 . 1 1 8 8 VAL CB C 13 33.236 0.041 . 1 . . . . 263 VAL CB . 6829 1 86 . 1 1 8 8 VAL CG1 C 13 21.144 0.093 . 1 . . . . 263 VAL CG1 . 6829 1 87 . 1 1 8 8 VAL CG2 C 13 20.628 0.122 . 1 . . . . 263 VAL CG2 . 6829 1 88 . 1 1 8 8 VAL N N 15 120.234 0.037 . 1 . . . . 263 VAL N . 6829 1 89 . 1 1 9 9 SER H H 1 8.118 0.005 . 1 . . . . 264 SER H . 6829 1 90 . 1 1 9 9 SER HA H 1 4.544 0.005 . 1 . . . . 264 SER HA . 6829 1 91 . 1 1 9 9 SER HB2 H 1 3.764 0.001 . 2 . . . . 264 SER HB2 . 6829 1 92 . 1 1 9 9 SER C C 13 173.718 0.005 . 1 . . . . 264 SER C . 6829 1 93 . 1 1 9 9 SER CA C 13 57.885 0.109 . 1 . . . . 264 SER CA . 6829 1 94 . 1 1 9 9 SER CB C 13 64.213 0.086 . 1 . . . . 264 SER CB . 6829 1 95 . 1 1 9 9 SER N N 15 118.45 0.047 . 1 . . . . 264 SER N . 6829 1 96 . 1 1 10 10 GLY H H 1 8.151 0.011 . 1 . . . . 265 GLY H . 6829 1 97 . 1 1 10 10 GLY HA2 H 1 3.923 0.007 . 2 . . . . 265 GLY HA2 . 6829 1 98 . 1 1 10 10 GLY HA3 H 1 4.231 0.01 . 2 . . . . 265 GLY HA3 . 6829 1 99 . 1 1 10 10 GLY C C 13 172.631 0.001 . 1 . . . . 265 GLY C . 6829 1 100 . 1 1 10 10 GLY CA C 13 45.177 0.054 . 1 . . . . 265 GLY CA . 6829 1 101 . 1 1 10 10 GLY N N 15 109.983 0.034 . 1 . . . . 265 GLY N . 6829 1 102 . 1 1 11 11 SER H H 1 8.214 0.005 . 1 . . . . 266 SER H . 6829 1 103 . 1 1 11 11 SER HA H 1 4.56 0.007 . 1 . . . . 266 SER HA . 6829 1 104 . 1 1 11 11 SER HB2 H 1 3.778 0.005 . 2 . . . . 266 SER HB2 . 6829 1 105 . 1 1 11 11 SER C C 13 171.802 0.005 . 1 . . . . 266 SER C . 6829 1 106 . 1 1 11 11 SER CA C 13 58.34 0.124 . 1 . . . . 266 SER CA . 6829 1 107 . 1 1 11 11 SER CB C 13 64.779 0.283 . 1 . . . . 266 SER CB . 6829 1 108 . 1 1 11 11 SER N N 15 113.751 0.035 . 1 . . . . 266 SER N . 6829 1 109 . 1 1 12 12 LEU H H 1 8.062 0.007 . 1 . . . . 267 LEU H . 6829 1 110 . 1 1 12 12 LEU HA H 1 4.926 0.009 . 1 . . . . 267 LEU HA . 6829 1 111 . 1 1 12 12 LEU HB2 H 1 1.317 0.007 . 2 . . . . 267 LEU HB2 . 6829 1 112 . 1 1 12 12 LEU HB3 H 1 1.561 0.01 . 2 . . . . 267 LEU HB3 . 6829 1 113 . 1 1 12 12 LEU HG H 1 1.323 0.022 . 1 . . . . 267 LEU HG . 6829 1 114 . 1 1 12 12 LEU HD11 H 1 1.33 0.008 . 1 . . . . 267 LEU HD1 . 6829 1 115 . 1 1 12 12 LEU HD12 H 1 1.33 0.008 . 1 . . . . 267 LEU HD1 . 6829 1 116 . 1 1 12 12 LEU HD13 H 1 1.33 0.008 . 1 . . . . 267 LEU HD1 . 6829 1 117 . 1 1 12 12 LEU HD21 H 1 0.647 0.012 . 1 . . . . 267 LEU HD2 . 6829 1 118 . 1 1 12 12 LEU HD22 H 1 0.647 0.012 . 1 . . . . 267 LEU HD2 . 6829 1 119 . 1 1 12 12 LEU HD23 H 1 0.647 0.012 . 1 . . . . 267 LEU HD2 . 6829 1 120 . 1 1 12 12 LEU C C 13 175.057 0.006 . 1 . . . . 267 LEU C . 6829 1 121 . 1 1 12 12 LEU CA C 13 53.944 0.099 . 1 . . . . 267 LEU CA . 6829 1 122 . 1 1 12 12 LEU CB C 13 45.287 0.044 . 1 . . . . 267 LEU CB . 6829 1 123 . 1 1 12 12 LEU CG C 13 26.969 0.192 . 1 . . . . 267 LEU CG . 6829 1 124 . 1 1 12 12 LEU CD1 C 13 27.368 0.124 . 1 . . . . 267 LEU CD1 . 6829 1 125 . 1 1 12 12 LEU CD2 C 13 26.051 0.155 . 1 . . . . 267 LEU CD2 . 6829 1 126 . 1 1 12 12 LEU N N 15 121.908 0.058 . 1 . . . . 267 LEU N . 6829 1 127 . 1 1 13 13 GLU H H 1 8.991 0.005 . 1 . . . . 268 GLU H . 6829 1 128 . 1 1 13 13 GLU HA H 1 4.637 0.008 . 1 . . . . 268 GLU HA . 6829 1 129 . 1 1 13 13 GLU HB2 H 1 1.822 0.006 . 2 . . . . 268 GLU HB2 . 6829 1 130 . 1 1 13 13 GLU HB3 H 1 1.962 0.036 . 2 . . . . 268 GLU HB3 . 6829 1 131 . 1 1 13 13 GLU HG2 H 1 2.093 0.012 . 2 . . . . 268 GLU HG2 . 6829 1 132 . 1 1 13 13 GLU C C 13 174.337 0.002 . 1 . . . . 268 GLU C . 6829 1 133 . 1 1 13 13 GLU CA C 13 54.849 0.078 . 1 . . . . 268 GLU CA . 6829 1 134 . 1 1 13 13 GLU CB C 13 32.743 0.047 . 1 . . . . 268 GLU CB . 6829 1 135 . 1 1 13 13 GLU CG C 13 36.035 0.124 . 1 . . . . 268 GLU CG . 6829 1 136 . 1 1 13 13 GLU N N 15 125.877 0.03 . 1 . . . . 268 GLU N . 6829 1 137 . 1 1 14 14 VAL H H 1 8.661 0.009 . 1 . . . . 269 VAL H . 6829 1 138 . 1 1 14 14 VAL HA H 1 4.766 0.01 . 1 . . . . 269 VAL HA . 6829 1 139 . 1 1 14 14 VAL HB H 1 1.863 0.007 . 1 . . . . 269 VAL HB . 6829 1 140 . 1 1 14 14 VAL HG11 H 1 0.777 0.007 . 1 . . . . 269 VAL HG1 . 6829 1 141 . 1 1 14 14 VAL HG12 H 1 0.777 0.007 . 1 . . . . 269 VAL HG1 . 6829 1 142 . 1 1 14 14 VAL HG13 H 1 0.777 0.007 . 1 . . . . 269 VAL HG1 . 6829 1 143 . 1 1 14 14 VAL HG21 H 1 0.802 0.008 . 1 . . . . 269 VAL HG2 . 6829 1 144 . 1 1 14 14 VAL HG22 H 1 0.802 0.008 . 1 . . . . 269 VAL HG2 . 6829 1 145 . 1 1 14 14 VAL HG23 H 1 0.802 0.008 . 1 . . . . 269 VAL HG2 . 6829 1 146 . 1 1 14 14 VAL C C 13 174.39 0.005 . 1 . . . . 269 VAL C . 6829 1 147 . 1 1 14 14 VAL CA C 13 60.614 0.06 . 1 . . . . 269 VAL CA . 6829 1 148 . 1 1 14 14 VAL CB C 13 34.847 0.051 . 1 . . . . 269 VAL CB . 6829 1 149 . 1 1 14 14 VAL CG1 C 13 21.209 0.037 . 1 . . . . 269 VAL CG1 . 6829 1 150 . 1 1 14 14 VAL CG2 C 13 21.788 0.063 . 1 . . . . 269 VAL CG2 . 6829 1 151 . 1 1 14 14 VAL N N 15 123.427 0.074 . 1 . . . . 269 VAL N . 6829 1 152 . 1 1 15 15 LYS H H 1 8.657 0.007 . 1 . . . . 270 LYS H . 6829 1 153 . 1 1 15 15 LYS HA H 1 4.62 0.006 . 1 . . . . 270 LYS HA . 6829 1 154 . 1 1 15 15 LYS HB2 H 1 1.694 0.013 . 2 . . . . 270 LYS HB2 . 6829 1 155 . 1 1 15 15 LYS HB3 H 1 1.807 0.016 . 2 . . . . 270 LYS HB3 . 6829 1 156 . 1 1 15 15 LYS HG2 H 1 1.331 0.005 . 2 . . . . 270 LYS HG2 . 6829 1 157 . 1 1 15 15 LYS HG3 H 1 1.43 0.004 . 2 . . . . 270 LYS HG3 . 6829 1 158 . 1 1 15 15 LYS HD2 H 1 1.428 0.004 . 1 . . . . 270 LYS HD2 . 6829 1 159 . 1 1 15 15 LYS HD3 H 1 1.428 0.004 . 1 . . . . 270 LYS HD3 . 6829 1 160 . 1 1 15 15 LYS HE2 H 1 2.995 0.003 . 1 . . . . 270 LYS HE2 . 6829 1 161 . 1 1 15 15 LYS C C 13 174.53 0.031 . 1 . . . . 270 LYS C . 6829 1 162 . 1 1 15 15 LYS CA C 13 54.76 0.048 . 1 . . . . 270 LYS CA . 6829 1 163 . 1 1 15 15 LYS CB C 13 34.884 0.095 . 1 . . . . 270 LYS CB . 6829 1 164 . 1 1 15 15 LYS CG C 13 24.783 0.049 . 1 . . . . 270 LYS CG . 6829 1 165 . 1 1 15 15 LYS CD C 13 29.122 0.33 . 1 . . . . 270 LYS CD . 6829 1 166 . 1 1 15 15 LYS CE C 13 41.98 0.062 . 1 . . . . 270 LYS CE . 6829 1 167 . 1 1 15 15 LYS N N 15 129.153 0.038 . 1 . . . . 270 LYS N . 6829 1 168 . 1 1 16 16 VAL H H 1 8.401 0.01 . 1 . . . . 271 VAL H . 6829 1 169 . 1 1 16 16 VAL HA H 1 4.472 0.004 . 1 . . . . 271 VAL HA . 6829 1 170 . 1 1 16 16 VAL HB H 1 1.577 0.004 . 1 . . . . 271 VAL HB . 6829 1 171 . 1 1 16 16 VAL HG11 H 1 0.323 0.006 . 1 . . . . 271 VAL HG1 . 6829 1 172 . 1 1 16 16 VAL HG12 H 1 0.323 0.006 . 1 . . . . 271 VAL HG1 . 6829 1 173 . 1 1 16 16 VAL HG13 H 1 0.323 0.006 . 1 . . . . 271 VAL HG1 . 6829 1 174 . 1 1 16 16 VAL HG21 H 1 0.402 0.028 . 1 . . . . 271 VAL HG2 . 6829 1 175 . 1 1 16 16 VAL HG22 H 1 0.402 0.028 . 1 . . . . 271 VAL HG2 . 6829 1 176 . 1 1 16 16 VAL HG23 H 1 0.402 0.028 . 1 . . . . 271 VAL HG2 . 6829 1 177 . 1 1 16 16 VAL C C 13 175.085 0.003 . 1 . . . . 271 VAL C . 6829 1 178 . 1 1 16 16 VAL CA C 13 60.313 0.074 . 1 . . . . 271 VAL CA . 6829 1 179 . 1 1 16 16 VAL CB C 13 34.495 0.051 . 1 . . . . 271 VAL CB . 6829 1 180 . 1 1 16 16 VAL CG1 C 13 19.84 0.023 . 1 . . . . 271 VAL CG1 . 6829 1 181 . 1 1 16 16 VAL CG2 C 13 22.245 0.115 . 1 . . . . 271 VAL CG2 . 6829 1 182 . 1 1 16 16 VAL N N 15 123.818 0.035 . 1 . . . . 271 VAL N . 6829 1 183 . 1 1 17 17 ASN H H 1 8.232 0.007 . 1 . . . . 272 ASN H . 6829 1 184 . 1 1 17 17 ASN HA H 1 4.879 0.008 . 1 . . . . 272 ASN HA . 6829 1 185 . 1 1 17 17 ASN HB2 H 1 2.728 0.023 . 2 . . . . 272 ASN HB2 . 6829 1 186 . 1 1 17 17 ASN HB3 H 1 2.834 0.008 . 2 . . . . 272 ASN HB3 . 6829 1 187 . 1 1 17 17 ASN HD21 H 1 6.938 0.019 . 2 . . . . 272 ASN HD21 . 6829 1 188 . 1 1 17 17 ASN HD22 H 1 7.855 0.007 . 2 . . . . 272 ASN HD22 . 6829 1 189 . 1 1 17 17 ASN C C 13 172.241 0.007 . 1 . . . . 272 ASN C . 6829 1 190 . 1 1 17 17 ASN CA C 13 52.065 0.054 . 1 . . . . 272 ASN CA . 6829 1 191 . 1 1 17 17 ASN CB C 13 40.597 0.093 . 1 . . . . 272 ASN CB . 6829 1 192 . 1 1 17 17 ASN CG C 13 176.897 0.012 . 1 . . . . 272 ASN CG . 6829 1 193 . 1 1 17 17 ASN N N 15 125.862 0.049 . 1 . . . . 272 ASN N . 6829 1 194 . 1 1 17 17 ASN ND2 N 15 111.71 0.235 . 1 . . . . 272 ASN ND2 . 6829 1 195 . 1 1 18 18 ASP H H 1 8.729 0.01 . 1 . . . . 273 ASP H . 6829 1 196 . 1 1 18 18 ASP HA H 1 4.62 0.006 . 1 . . . . 273 ASP HA . 6829 1 197 . 1 1 18 18 ASP HB2 H 1 1.86 0.011 . 2 . . . . 273 ASP HB2 . 6829 1 198 . 1 1 18 18 ASP HB3 H 1 2.747 0.008 . 2 . . . . 273 ASP HB3 . 6829 1 199 . 1 1 18 18 ASP C C 13 175.42 0.002 . 1 . . . . 273 ASP C . 6829 1 200 . 1 1 18 18 ASP CA C 13 52.977 0.052 . 1 . . . . 273 ASP CA . 6829 1 201 . 1 1 18 18 ASP CB C 13 44.276 0.04 . 1 . . . . 273 ASP CB . 6829 1 202 . 1 1 18 18 ASP N N 15 125.395 0.033 . 1 . . . . 273 ASP N . 6829 1 203 . 1 1 19 19 TRP H H 1 8.194 0.006 . 1 . . . . 274 TRP H . 6829 1 204 . 1 1 19 19 TRP HA H 1 5.143 0.003 . 1 . . . . 274 TRP HA . 6829 1 205 . 1 1 19 19 TRP HB2 H 1 3.09 0.006 . 2 . . . . 274 TRP HB2 . 6829 1 206 . 1 1 19 19 TRP HB3 H 1 3.647 0.014 . 2 . . . . 274 TRP HB3 . 6829 1 207 . 1 1 19 19 TRP HD1 H 1 6.806 0.019 . 1 . . . . 274 TRP HD1 . 6829 1 208 . 1 1 19 19 TRP HE1 H 1 9.339 0.013 . 1 . . . . 274 TRP HE1 . 6829 1 209 . 1 1 19 19 TRP HE3 H 1 7.268 0.004 . 1 . . . . 274 TRP HE3 . 6829 1 210 . 1 1 19 19 TRP HZ2 H 1 6.759 0.014 . 1 . . . . 274 TRP HZ2 . 6829 1 211 . 1 1 19 19 TRP HZ3 H 1 7.019 0.008 . 1 . . . . 274 TRP HZ3 . 6829 1 212 . 1 1 19 19 TRP HH2 H 1 6.725 0.01 . 1 . . . . 274 TRP HH2 . 6829 1 213 . 1 1 19 19 TRP C C 13 176.203 0.006 . 1 . . . . 274 TRP C . 6829 1 214 . 1 1 19 19 TRP CA C 13 56.423 0.132 . 1 . . . . 274 TRP CA . 6829 1 215 . 1 1 19 19 TRP CB C 13 27.406 0.038 . 1 . . . . 274 TRP CB . 6829 1 216 . 1 1 19 19 TRP CZ2 C 13 112.961 0.25 . 1 . . . . 274 TRP CZ2 . 6829 1 217 . 1 1 19 19 TRP N N 15 124.859 0.047 . 1 . . . . 274 TRP N . 6829 1 218 . 1 1 19 19 TRP NE1 N 15 130.232 0.019 . 1 . . . . 274 TRP NE1 . 6829 1 219 . 1 1 20 20 GLY H H 1 9.133 0.006 . 1 . . . . 275 GLY H . 6829 1 220 . 1 1 20 20 GLY HA2 H 1 3.457 0.006 . 2 . . . . 275 GLY HA2 . 6829 1 221 . 1 1 20 20 GLY HA3 H 1 4.76 0.021 . 2 . . . . 275 GLY HA3 . 6829 1 222 . 1 1 20 20 GLY C C 13 174.934 0.006 . 1 . . . . 275 GLY C . 6829 1 223 . 1 1 20 20 GLY CA C 13 46.82 0.068 . 1 . . . . 275 GLY CA . 6829 1 224 . 1 1 20 20 GLY N N 15 116.05 0.027 . 1 . . . . 275 GLY N . 6829 1 225 . 1 1 21 21 SER H H 1 8.006 0.01 . 1 . . . . 276 SER H . 6829 1 226 . 1 1 21 21 SER HA H 1 4.664 0.005 . 1 . . . . 276 SER HA . 6829 1 227 . 1 1 21 21 SER HB2 H 1 3.934 0.005 . 2 . . . . 276 SER HB2 . 6829 1 228 . 1 1 21 21 SER HB3 H 1 4.208 0.004 . 2 . . . . 276 SER HB3 . 6829 1 229 . 1 1 21 21 SER C C 13 173.883 0.007 . 1 . . . . 276 SER C . 6829 1 230 . 1 1 21 21 SER CA C 13 58.236 0.22 . 1 . . . . 276 SER CA . 6829 1 231 . 1 1 21 21 SER CB C 13 63.505 0.127 . 1 . . . . 276 SER CB . 6829 1 232 . 1 1 21 21 SER N N 15 115.534 0.072 . 1 . . . . 276 SER N . 6829 1 233 . 1 1 22 22 GLY H H 1 6.48 0.007 . 1 . . . . 277 GLY H . 6829 1 234 . 1 1 22 22 GLY HA2 H 1 3.383 0.012 . 2 . . . . 277 GLY HA2 . 6829 1 235 . 1 1 22 22 GLY HA3 H 1 4.506 0.005 . 2 . . . . 277 GLY HA3 . 6829 1 236 . 1 1 22 22 GLY C C 13 168.083 0.006 . 1 . . . . 277 GLY C . 6829 1 237 . 1 1 22 22 GLY CA C 13 44.565 0.03 . 1 . . . . 277 GLY CA . 6829 1 238 . 1 1 22 22 GLY N N 15 109.492 0.032 . 1 . . . . 277 GLY N . 6829 1 239 . 1 1 23 23 ALA H H 1 8.02 0.01 . 1 . . . . 278 ALA H . 6829 1 240 . 1 1 23 23 ALA HA H 1 3.881 0.008 . 1 . . . . 278 ALA HA . 6829 1 241 . 1 1 23 23 ALA HB1 H 1 0.887 0.004 . 1 . . . . 278 ALA HB . 6829 1 242 . 1 1 23 23 ALA HB2 H 1 0.887 0.004 . 1 . . . . 278 ALA HB . 6829 1 243 . 1 1 23 23 ALA HB3 H 1 0.887 0.004 . 1 . . . . 278 ALA HB . 6829 1 244 . 1 1 23 23 ALA C C 13 174.089 0.005 . 1 . . . . 278 ALA C . 6829 1 245 . 1 1 23 23 ALA CA C 13 50.592 0.036 . 1 . . . . 278 ALA CA . 6829 1 246 . 1 1 23 23 ALA CB C 13 23.723 0.041 . 1 . . . . 278 ALA CB . 6829 1 247 . 1 1 23 23 ALA N N 15 118.091 0.034 . 1 . . . . 278 ALA N . 6829 1 248 . 1 1 24 24 GLU H H 1 8.383 0.007 . 1 . . . . 279 GLU H . 6829 1 249 . 1 1 24 24 GLU HA H 1 4.902 0.011 . 1 . . . . 279 GLU HA . 6829 1 250 . 1 1 24 24 GLU HB2 H 1 2.053 0.017 . 2 . . . . 279 GLU HB2 . 6829 1 251 . 1 1 24 24 GLU HB3 H 1 2.38 0.014 . 2 . . . . 279 GLU HB3 . 6829 1 252 . 1 1 24 24 GLU HG2 H 1 2.249 0.006 . 2 . . . . 279 GLU HG2 . 6829 1 253 . 1 1 24 24 GLU C C 13 173.745 0.003 . 1 . . . . 279 GLU C . 6829 1 254 . 1 1 24 24 GLU CA C 13 54.223 0.128 . 1 . . . . 279 GLU CA . 6829 1 255 . 1 1 24 24 GLU CB C 13 31.124 0.077 . 1 . . . . 279 GLU CB . 6829 1 256 . 1 1 24 24 GLU CG C 13 34.454 0.056 . 1 . . . . 279 GLU CG . 6829 1 257 . 1 1 24 24 GLU N N 15 121.297 0.04 . 1 . . . . 279 GLU N . 6829 1 258 . 1 1 25 25 TYR H H 1 8.781 0.005 . 1 . . . . 280 TYR H . 6829 1 259 . 1 1 25 25 TYR HA H 1 4.338 0.013 . 1 . . . . 280 TYR HA . 6829 1 260 . 1 1 25 25 TYR HB2 H 1 0.956 0.014 . 2 . . . . 280 TYR HB2 . 6829 1 261 . 1 1 25 25 TYR HB3 H 1 1.38 0.012 . 2 . . . . 280 TYR HB3 . 6829 1 262 . 1 1 25 25 TYR HD1 H 1 6.372 0.016 . 3 . . . . 280 TYR HD1 . 6829 1 263 . 1 1 25 25 TYR HE1 H 1 6.33 0.018 . 3 . . . . 280 TYR HE1 . 6829 1 264 . 1 1 25 25 TYR C C 13 173.042 0.002 . 1 . . . . 280 TYR C . 6829 1 265 . 1 1 25 25 TYR CA C 13 56.564 0.068 . 1 . . . . 280 TYR CA . 6829 1 266 . 1 1 25 25 TYR CB C 13 39.769 0.062 . 1 . . . . 280 TYR CB . 6829 1 267 . 1 1 25 25 TYR CD1 C 13 129.644 0.25 . 3 . . . . 280 TYR CD1 . 6829 1 268 . 1 1 25 25 TYR CE1 C 13 117.442 0.25 . 3 . . . . 280 TYR CE1 . 6829 1 269 . 1 1 25 25 TYR N N 15 127.166 0.056 . 1 . . . . 280 TYR N . 6829 1 270 . 1 1 26 26 ASP H H 1 8.649 0.005 . 1 . . . . 281 ASP H . 6829 1 271 . 1 1 26 26 ASP HA H 1 5.071 0.008 . 1 . . . . 281 ASP HA . 6829 1 272 . 1 1 26 26 ASP HB2 H 1 2.525 0.01 . 2 . . . . 281 ASP HB2 . 6829 1 273 . 1 1 26 26 ASP HB3 H 1 2.798 0.009 . 2 . . . . 281 ASP HB3 . 6829 1 274 . 1 1 26 26 ASP C C 13 174.834 0.005 . 1 . . . . 281 ASP C . 6829 1 275 . 1 1 26 26 ASP CA C 13 52.835 0.071 . 1 . . . . 281 ASP CA . 6829 1 276 . 1 1 26 26 ASP CB C 13 41.529 0.078 . 1 . . . . 281 ASP CB . 6829 1 277 . 1 1 26 26 ASP N N 15 120.632 0.038 . 1 . . . . 281 ASP N . 6829 1 278 . 1 1 27 27 VAL H H 1 8.893 0.009 . 1 . . . . 282 VAL H . 6829 1 279 . 1 1 27 27 VAL HA H 1 4.409 0.008 . 1 . . . . 282 VAL HA . 6829 1 280 . 1 1 27 27 VAL HB H 1 0.532 0.018 . 1 . . . . 282 VAL HB . 6829 1 281 . 1 1 27 27 VAL HG11 H 1 0.486 0.026 . 1 . . . . 282 VAL HG1 . 6829 1 282 . 1 1 27 27 VAL HG12 H 1 0.486 0.026 . 1 . . . . 282 VAL HG1 . 6829 1 283 . 1 1 27 27 VAL HG13 H 1 0.486 0.026 . 1 . . . . 282 VAL HG1 . 6829 1 284 . 1 1 27 27 VAL HG21 H 1 0.325 0.034 . 1 . . . . 282 VAL HG2 . 6829 1 285 . 1 1 27 27 VAL HG22 H 1 0.325 0.034 . 1 . . . . 282 VAL HG2 . 6829 1 286 . 1 1 27 27 VAL HG23 H 1 0.325 0.034 . 1 . . . . 282 VAL HG2 . 6829 1 287 . 1 1 27 27 VAL C C 13 174.666 0.029 . 1 . . . . 282 VAL C . 6829 1 288 . 1 1 27 27 VAL CA C 13 61.557 0.081 . 1 . . . . 282 VAL CA . 6829 1 289 . 1 1 27 27 VAL CB C 13 32.567 0.047 . 1 . . . . 282 VAL CB . 6829 1 290 . 1 1 27 27 VAL CG1 C 13 22.878 0.038 . 1 . . . . 282 VAL CG1 . 6829 1 291 . 1 1 27 27 VAL CG2 C 13 21.023 0.047 . 1 . . . . 282 VAL CG2 . 6829 1 292 . 1 1 27 27 VAL N N 15 127.975 0.038 . 1 . . . . 282 VAL N . 6829 1 293 . 1 1 28 28 THR H H 1 9.039 0.007 . 1 . . . . 283 THR H . 6829 1 294 . 1 1 28 28 THR HA H 1 4.887 0.01 . 1 . . . . 283 THR HA . 6829 1 295 . 1 1 28 28 THR HB H 1 3.837 0.005 . 1 . . . . 283 THR HB . 6829 1 296 . 1 1 28 28 THR HG21 H 1 1.025 0.008 . 1 . . . . 283 THR HG2 . 6829 1 297 . 1 1 28 28 THR HG22 H 1 1.025 0.008 . 1 . . . . 283 THR HG2 . 6829 1 298 . 1 1 28 28 THR HG23 H 1 1.025 0.008 . 1 . . . . 283 THR HG2 . 6829 1 299 . 1 1 28 28 THR C C 13 172.356 0.012 . 1 . . . . 283 THR C . 6829 1 300 . 1 1 28 28 THR CA C 13 62.115 0.094 . 1 . . . . 283 THR CA . 6829 1 301 . 1 1 28 28 THR CB C 13 71.19 0.159 . 1 . . . . 283 THR CB . 6829 1 302 . 1 1 28 28 THR CG2 C 13 21.119 0.065 . 1 . . . . 283 THR CG2 . 6829 1 303 . 1 1 28 28 THR N N 15 124.181 0.043 . 1 . . . . 283 THR N . 6829 1 304 . 1 1 29 29 LEU H H 1 9.449 0.005 . 1 . . . . 284 LEU H . 6829 1 305 . 1 1 29 29 LEU HA H 1 4.935 0.009 . 1 . . . . 284 LEU HA . 6829 1 306 . 1 1 29 29 LEU HB2 H 1 0.91 0.035 . 2 . . . . 284 LEU HB2 . 6829 1 307 . 1 1 29 29 LEU HB3 H 1 1.529 0.011 . 2 . . . . 284 LEU HB3 . 6829 1 308 . 1 1 29 29 LEU HG H 1 1.085 0.016 . 1 . . . . 284 LEU HG . 6829 1 309 . 1 1 29 29 LEU HD11 H 1 -0.483 0.008 . 1 . . . . 284 LEU HD1 . 6829 1 310 . 1 1 29 29 LEU HD12 H 1 -0.483 0.008 . 1 . . . . 284 LEU HD1 . 6829 1 311 . 1 1 29 29 LEU HD13 H 1 -0.483 0.008 . 1 . . . . 284 LEU HD1 . 6829 1 312 . 1 1 29 29 LEU HD21 H 1 0.247 0.008 . 1 . . . . 284 LEU HD2 . 6829 1 313 . 1 1 29 29 LEU HD22 H 1 0.247 0.008 . 1 . . . . 284 LEU HD2 . 6829 1 314 . 1 1 29 29 LEU HD23 H 1 0.247 0.008 . 1 . . . . 284 LEU HD2 . 6829 1 315 . 1 1 29 29 LEU C C 13 174.884 0.004 . 1 . . . . 284 LEU C . 6829 1 316 . 1 1 29 29 LEU CA C 13 52.864 0.071 . 1 . . . . 284 LEU CA . 6829 1 317 . 1 1 29 29 LEU CB C 13 42.448 0.119 . 1 . . . . 284 LEU CB . 6829 1 318 . 1 1 29 29 LEU CG C 13 26.745 0.162 . 1 . . . . 284 LEU CG . 6829 1 319 . 1 1 29 29 LEU CD1 C 13 23.743 0.036 . 1 . . . . 284 LEU CD1 . 6829 1 320 . 1 1 29 29 LEU CD2 C 13 25.561 0.047 . 1 . . . . 284 LEU CD2 . 6829 1 321 . 1 1 29 29 LEU N N 15 126.339 0.061 . 1 . . . . 284 LEU N . 6829 1 322 . 1 1 30 30 ASN H H 1 8.545 0.007 . 1 . . . . 285 ASN H . 6829 1 323 . 1 1 30 30 ASN HA H 1 5.209 0.007 . 1 . . . . 285 ASN HA . 6829 1 324 . 1 1 30 30 ASN HB2 H 1 2.561 0.007 . 2 . . . . 285 ASN HB2 . 6829 1 325 . 1 1 30 30 ASN HB3 H 1 2.729 0.009 . 2 . . . . 285 ASN HB3 . 6829 1 326 . 1 1 30 30 ASN HD21 H 1 6.879 0.006 . 2 . . . . 285 ASN HD21 . 6829 1 327 . 1 1 30 30 ASN HD22 H 1 7.296 0.005 . 2 . . . . 285 ASN HD22 . 6829 1 328 . 1 1 30 30 ASN C C 13 173.899 0.011 . 1 . . . . 285 ASN C . 6829 1 329 . 1 1 30 30 ASN CA C 13 52.643 0.045 . 1 . . . . 285 ASN CA . 6829 1 330 . 1 1 30 30 ASN CB C 13 39.521 0.106 . 1 . . . . 285 ASN CB . 6829 1 331 . 1 1 30 30 ASN CG C 13 177.111 0.011 . 1 . . . . 285 ASN CG . 6829 1 332 . 1 1 30 30 ASN N N 15 122.354 0.045 . 1 . . . . 285 ASN N . 6829 1 333 . 1 1 30 30 ASN ND2 N 15 113.837 0.244 . 1 . . . . 285 ASN ND2 . 6829 1 334 . 1 1 31 31 LEU H H 1 8.894 0.008 . 1 . . . . 286 LEU H . 6829 1 335 . 1 1 31 31 LEU HA H 1 4.898 0.009 . 1 . . . . 286 LEU HA . 6829 1 336 . 1 1 31 31 LEU HB2 H 1 1.837 0.007 . 2 . . . . 286 LEU HB2 . 6829 1 337 . 1 1 31 31 LEU HB3 H 1 2.677 0.007 . 2 . . . . 286 LEU HB3 . 6829 1 338 . 1 1 31 31 LEU HG H 1 1.617 0.007 . 1 . . . . 286 LEU HG . 6829 1 339 . 1 1 31 31 LEU HD11 H 1 1.045 0.01 . 1 . . . . 286 LEU HD1 . 6829 1 340 . 1 1 31 31 LEU HD12 H 1 1.045 0.01 . 1 . . . . 286 LEU HD1 . 6829 1 341 . 1 1 31 31 LEU HD13 H 1 1.045 0.01 . 1 . . . . 286 LEU HD1 . 6829 1 342 . 1 1 31 31 LEU HD21 H 1 0.714 0.008 . 1 . . . . 286 LEU HD2 . 6829 1 343 . 1 1 31 31 LEU HD22 H 1 0.714 0.008 . 1 . . . . 286 LEU HD2 . 6829 1 344 . 1 1 31 31 LEU HD23 H 1 0.714 0.008 . 1 . . . . 286 LEU HD2 . 6829 1 345 . 1 1 31 31 LEU C C 13 176.931 0.007 . 1 . . . . 286 LEU C . 6829 1 346 . 1 1 31 31 LEU CA C 13 53.374 0.079 . 1 . . . . 286 LEU CA . 6829 1 347 . 1 1 31 31 LEU CB C 13 44.588 0.058 . 1 . . . . 286 LEU CB . 6829 1 348 . 1 1 31 31 LEU CG C 13 27.255 0.112 . 1 . . . . 286 LEU CG . 6829 1 349 . 1 1 31 31 LEU CD1 C 13 26.178 0.089 . 1 . . . . 286 LEU CD1 . 6829 1 350 . 1 1 31 31 LEU CD2 C 13 23.255 0.04 . 1 . . . . 286 LEU CD2 . 6829 1 351 . 1 1 31 31 LEU N N 15 122.524 0.035 . 1 . . . . 286 LEU N . 6829 1 352 . 1 1 32 32 ASP H H 1 8.405 0.008 . 1 . . . . 287 ASP H . 6829 1 353 . 1 1 32 32 ASP HA H 1 4.724 0.025 . 1 . . . . 287 ASP HA . 6829 1 354 . 1 1 32 32 ASP HB2 H 1 2.694 0.012 . 2 . . . . 287 ASP HB2 . 6829 1 355 . 1 1 32 32 ASP HB3 H 1 3.017 0.006 . 2 . . . . 287 ASP HB3 . 6829 1 356 . 1 1 32 32 ASP C C 13 176.017 0.004 . 1 . . . . 287 ASP C . 6829 1 357 . 1 1 32 32 ASP CA C 13 53.612 0.161 . 1 . . . . 287 ASP CA . 6829 1 358 . 1 1 32 32 ASP CB C 13 40.133 0.105 . 1 . . . . 287 ASP CB . 6829 1 359 . 1 1 32 32 ASP N N 15 118.075 0.026 . 1 . . . . 287 ASP N . 6829 1 360 . 1 1 33 33 GLY H H 1 7.418 0.005 . 1 . . . . 288 GLY H . 6829 1 361 . 1 1 33 33 GLY HA2 H 1 3.712 0.008 . 2 . . . . 288 GLY HA2 . 6829 1 362 . 1 1 33 33 GLY HA3 H 1 3.93 0.011 . 2 . . . . 288 GLY HA3 . 6829 1 363 . 1 1 33 33 GLY C C 13 170.607 0.004 . 1 . . . . 288 GLY C . 6829 1 364 . 1 1 33 33 GLY CA C 13 44.653 0.065 . 1 . . . . 288 GLY CA . 6829 1 365 . 1 1 33 33 GLY N N 15 105.806 0.036 . 1 . . . . 288 GLY N . 6829 1 366 . 1 1 34 34 GLN H H 1 7.755 0.009 . 1 . . . . 289 GLN H . 6829 1 367 . 1 1 34 34 GLN HA H 1 4.621 0.01 . 1 . . . . 289 GLN HA . 6829 1 368 . 1 1 34 34 GLN HB2 H 1 1.545 0.012 . 2 . . . . 289 GLN HB2 . 6829 1 369 . 1 1 34 34 GLN HB3 H 1 1.755 0.013 . 2 . . . . 289 GLN HB3 . 6829 1 370 . 1 1 34 34 GLN HG2 H 1 1.915 0.01 . 2 . . . . 289 GLN HG2 . 6829 1 371 . 1 1 34 34 GLN HG3 H 1 2.145 0.007 . 2 . . . . 289 GLN HG3 . 6829 1 372 . 1 1 34 34 GLN HE21 H 1 6.828 0.006 . 2 . . . . 289 GLN HE21 . 6829 1 373 . 1 1 34 34 GLN HE22 H 1 7.407 0.008 . 2 . . . . 289 GLN HE22 . 6829 1 374 . 1 1 34 34 GLN C C 13 175.617 0.012 . 1 . . . . 289 GLN C . 6829 1 375 . 1 1 34 34 GLN CA C 13 54.766 0.058 . 1 . . . . 289 GLN CA . 6829 1 376 . 1 1 34 34 GLN CB C 13 29.69 0.149 . 1 . . . . 289 GLN CB . 6829 1 377 . 1 1 34 34 GLN CG C 13 34.308 0.058 . 1 . . . . 289 GLN CG . 6829 1 378 . 1 1 34 34 GLN CD C 13 180.39 0.01 . 1 . . . . 289 GLN CD . 6829 1 379 . 1 1 34 34 GLN N N 15 116.813 0.04 . 1 . . . . 289 GLN N . 6829 1 380 . 1 1 34 34 GLN NE2 N 15 111.633 0.234 . 1 . . . . 289 GLN NE2 . 6829 1 381 . 1 1 35 35 TYR H H 1 8.996 0.014 . 1 . . . . 290 TYR H . 6829 1 382 . 1 1 35 35 TYR HA H 1 4.777 0.005 . 1 . . . . 290 TYR HA . 6829 1 383 . 1 1 35 35 TYR HB2 H 1 2.476 0.004 . 2 . . . . 290 TYR HB2 . 6829 1 384 . 1 1 35 35 TYR HB3 H 1 3.053 0.006 . 2 . . . . 290 TYR HB3 . 6829 1 385 . 1 1 35 35 TYR HD1 H 1 7.083 0.005 . 3 . . . . 290 TYR HD1 . 6829 1 386 . 1 1 35 35 TYR HE1 H 1 6.739 0.005 . 3 . . . . 290 TYR HE1 . 6829 1 387 . 1 1 35 35 TYR C C 13 174.396 0.005 . 1 . . . . 290 TYR C . 6829 1 388 . 1 1 35 35 TYR CA C 13 56.864 0.065 . 1 . . . . 290 TYR CA . 6829 1 389 . 1 1 35 35 TYR CB C 13 44.137 0.032 . 1 . . . . 290 TYR CB . 6829 1 390 . 1 1 35 35 TYR CD1 C 13 133.803 0.25 . 3 . . . . 290 TYR CD1 . 6829 1 391 . 1 1 35 35 TYR CE1 C 13 117.442 0.25 . 3 . . . . 290 TYR CE1 . 6829 1 392 . 1 1 35 35 TYR N N 15 120.652 0.041 . 1 . . . . 290 TYR N . 6829 1 393 . 1 1 36 36 ASP H H 1 8.571 0.008 . 1 . . . . 291 ASP H . 6829 1 394 . 1 1 36 36 ASP HA H 1 4.572 0.008 . 1 . . . . 291 ASP HA . 6829 1 395 . 1 1 36 36 ASP HB2 H 1 2.469 0.007 . 2 . . . . 291 ASP HB2 . 6829 1 396 . 1 1 36 36 ASP HB3 H 1 2.621 0.008 . 2 . . . . 291 ASP HB3 . 6829 1 397 . 1 1 36 36 ASP C C 13 175.117 0.018 . 1 . . . . 291 ASP C . 6829 1 398 . 1 1 36 36 ASP CA C 13 53.575 0.127 . 1 . . . . 291 ASP CA . 6829 1 399 . 1 1 36 36 ASP CB C 13 39.282 0.037 . 1 . . . . 291 ASP CB . 6829 1 400 . 1 1 36 36 ASP N N 15 120.808 0.036 . 1 . . . . 291 ASP N . 6829 1 401 . 1 1 37 37 TRP H H 1 6.835 0.005 . 1 . . . . 292 TRP H . 6829 1 402 . 1 1 37 37 TRP HA H 1 4.635 0.008 . 1 . . . . 292 TRP HA . 6829 1 403 . 1 1 37 37 TRP HB2 H 1 2.814 0.007 . 2 . . . . 292 TRP HB2 . 6829 1 404 . 1 1 37 37 TRP HB3 H 1 3.238 0.006 . 2 . . . . 292 TRP HB3 . 6829 1 405 . 1 1 37 37 TRP HD1 H 1 7.317 0.01 . 1 . . . . 292 TRP HD1 . 6829 1 406 . 1 1 37 37 TRP HE1 H 1 10.175 0.001 . 1 . . . . 292 TRP HE1 . 6829 1 407 . 1 1 37 37 TRP HE3 H 1 7.008 0.005 . 1 . . . . 292 TRP HE3 . 6829 1 408 . 1 1 37 37 TRP HZ2 H 1 7.234 0.007 . 1 . . . . 292 TRP HZ2 . 6829 1 409 . 1 1 37 37 TRP HZ3 H 1 6.04 0.007 . 1 . . . . 292 TRP HZ3 . 6829 1 410 . 1 1 37 37 TRP HH2 H 1 5.938 0.006 . 1 . . . . 292 TRP HH2 . 6829 1 411 . 1 1 37 37 TRP C C 13 174.411 0.008 . 1 . . . . 292 TRP C . 6829 1 412 . 1 1 37 37 TRP CA C 13 54.675 0.015 . 1 . . . . 292 TRP CA . 6829 1 413 . 1 1 37 37 TRP CB C 13 32.054 0.049 . 1 . . . . 292 TRP CB . 6829 1 414 . 1 1 37 37 TRP CE3 C 13 122.663 0.048 . 1 . . . . 292 TRP CE3 . 6829 1 415 . 1 1 37 37 TRP CZ2 C 13 113.559 0.25 . 1 . . . . 292 TRP CZ2 . 6829 1 416 . 1 1 37 37 TRP CZ3 C 13 121.047 0.001 . 1 . . . . 292 TRP CZ3 . 6829 1 417 . 1 1 37 37 TRP CH2 C 13 124.652 0.001 . 1 . . . . 292 TRP CH2 . 6829 1 418 . 1 1 37 37 TRP N N 15 120.57 0.036 . 1 . . . . 292 TRP N . 6829 1 419 . 1 1 37 37 TRP NE1 N 15 128.993 0.048 . 1 . . . . 292 TRP NE1 . 6829 1 420 . 1 1 38 38 THR H H 1 8.367 0.006 . 1 . . . . 293 THR H . 6829 1 421 . 1 1 38 38 THR HA H 1 5.039 0.005 . 1 . . . . 293 THR HA . 6829 1 422 . 1 1 38 38 THR HB H 1 3.914 0.008 . 1 . . . . 293 THR HB . 6829 1 423 . 1 1 38 38 THR HG21 H 1 0.978 0.007 . 1 . . . . 293 THR HG2 . 6829 1 424 . 1 1 38 38 THR HG22 H 1 0.978 0.007 . 1 . . . . 293 THR HG2 . 6829 1 425 . 1 1 38 38 THR HG23 H 1 0.978 0.007 . 1 . . . . 293 THR HG2 . 6829 1 426 . 1 1 38 38 THR C C 13 173.662 0.008 . 1 . . . . 293 THR C . 6829 1 427 . 1 1 38 38 THR CA C 13 62.323 0.04 . 1 . . . . 293 THR CA . 6829 1 428 . 1 1 38 38 THR CB C 13 72.184 0.051 . 1 . . . . 293 THR CB . 6829 1 429 . 1 1 38 38 THR CG2 C 13 22.162 0.098 . 1 . . . . 293 THR CG2 . 6829 1 430 . 1 1 38 38 THR N N 15 113.277 0.038 . 1 . . . . 293 THR N . 6829 1 431 . 1 1 39 39 VAL H H 1 9.54 0.007 . 1 . . . . 294 VAL H . 6829 1 432 . 1 1 39 39 VAL HA H 1 5.256 0.006 . 1 . . . . 294 VAL HA . 6829 1 433 . 1 1 39 39 VAL HB H 1 2.129 0.006 . 1 . . . . 294 VAL HB . 6829 1 434 . 1 1 39 39 VAL HG11 H 1 0.978 0.007 . 1 . . . . 294 VAL HG1 . 6829 1 435 . 1 1 39 39 VAL HG12 H 1 0.978 0.007 . 1 . . . . 294 VAL HG1 . 6829 1 436 . 1 1 39 39 VAL HG13 H 1 0.978 0.007 . 1 . . . . 294 VAL HG1 . 6829 1 437 . 1 1 39 39 VAL HG21 H 1 1.007 0.006 . 1 . . . . 294 VAL HG2 . 6829 1 438 . 1 1 39 39 VAL HG22 H 1 1.007 0.006 . 1 . . . . 294 VAL HG2 . 6829 1 439 . 1 1 39 39 VAL HG23 H 1 1.007 0.006 . 1 . . . . 294 VAL HG2 . 6829 1 440 . 1 1 39 39 VAL C C 13 174.317 0.009 . 1 . . . . 294 VAL C . 6829 1 441 . 1 1 39 39 VAL CA C 13 60.874 0.06 . 1 . . . . 294 VAL CA . 6829 1 442 . 1 1 39 39 VAL CB C 13 34.633 0.061 . 1 . . . . 294 VAL CB . 6829 1 443 . 1 1 39 39 VAL CG1 C 13 22.069 0.094 . 1 . . . . 294 VAL CG1 . 6829 1 444 . 1 1 39 39 VAL CG2 C 13 24.514 0.042 . 1 . . . . 294 VAL CG2 . 6829 1 445 . 1 1 39 39 VAL N N 15 127.142 0.033 . 1 . . . . 294 VAL N . 6829 1 446 . 1 1 40 40 LYS H H 1 8.981 0.007 . 1 . . . . 295 LYS H . 6829 1 447 . 1 1 40 40 LYS HA H 1 4.944 0.009 . 1 . . . . 295 LYS HA . 6829 1 448 . 1 1 40 40 LYS HB2 H 1 1.444 0.007 . 2 . . . . 295 LYS HB2 . 6829 1 449 . 1 1 40 40 LYS HG2 H 1 0.935 0.009 . 2 . . . . 295 LYS HG2 . 6829 1 450 . 1 1 40 40 LYS HG3 H 1 1.06 0.011 . 2 . . . . 295 LYS HG3 . 6829 1 451 . 1 1 40 40 LYS HD2 H 1 1.087 0.01 . 2 . . . . 295 LYS HD2 . 6829 1 452 . 1 1 40 40 LYS HE2 H 1 2.226 0.008 . 2 . . . . 295 LYS HE2 . 6829 1 453 . 1 1 40 40 LYS C C 13 175.294 0.005 . 1 . . . . 295 LYS C . 6829 1 454 . 1 1 40 40 LYS CA C 13 55.156 0.058 . 1 . . . . 295 LYS CA . 6829 1 455 . 1 1 40 40 LYS CB C 13 34.289 0.084 . 1 . . . . 295 LYS CB . 6829 1 456 . 1 1 40 40 LYS CG C 13 25.68 0.056 . 1 . . . . 295 LYS CG . 6829 1 457 . 1 1 40 40 LYS CD C 13 29.082 0.103 . 1 . . . . 295 LYS CD . 6829 1 458 . 1 1 40 40 LYS CE C 13 41.139 0.069 . 1 . . . . 295 LYS CE . 6829 1 459 . 1 1 40 40 LYS N N 15 128.436 0.045 . 1 . . . . 295 LYS N . 6829 1 460 . 1 1 41 41 VAL H H 1 9.368 0.005 . 1 . . . . 296 VAL H . 6829 1 461 . 1 1 41 41 VAL HA H 1 4.765 0.007 . 1 . . . . 296 VAL HA . 6829 1 462 . 1 1 41 41 VAL HB H 1 1.937 0.007 . 1 . . . . 296 VAL HB . 6829 1 463 . 1 1 41 41 VAL HG11 H 1 0.702 0.032 . 1 . . . . 296 VAL HG1 . 6829 1 464 . 1 1 41 41 VAL HG12 H 1 0.702 0.032 . 1 . . . . 296 VAL HG1 . 6829 1 465 . 1 1 41 41 VAL HG13 H 1 0.702 0.032 . 1 . . . . 296 VAL HG1 . 6829 1 466 . 1 1 41 41 VAL HG21 H 1 0.855 0.033 . 1 . . . . 296 VAL HG2 . 6829 1 467 . 1 1 41 41 VAL HG22 H 1 0.855 0.033 . 1 . . . . 296 VAL HG2 . 6829 1 468 . 1 1 41 41 VAL HG23 H 1 0.855 0.033 . 1 . . . . 296 VAL HG2 . 6829 1 469 . 1 1 41 41 VAL C C 13 174.297 0.009 . 1 . . . . 296 VAL C . 6829 1 470 . 1 1 41 41 VAL CA C 13 60.793 0.075 . 1 . . . . 296 VAL CA . 6829 1 471 . 1 1 41 41 VAL CB C 13 34.612 0.064 . 1 . . . . 296 VAL CB . 6829 1 472 . 1 1 41 41 VAL CG1 C 13 21.927 0.056 . 1 . . . . 296 VAL CG1 . 6829 1 473 . 1 1 41 41 VAL CG2 C 13 21.4 0.077 . 1 . . . . 296 VAL CG2 . 6829 1 474 . 1 1 41 41 VAL N N 15 125.349 0.037 . 1 . . . . 296 VAL N . 6829 1 475 . 1 1 42 42 LYS H H 1 8.851 0.007 . 1 . . . . 297 LYS H . 6829 1 476 . 1 1 42 42 LYS HA H 1 4.516 0.007 . 1 . . . . 297 LYS HA . 6829 1 477 . 1 1 42 42 LYS HB2 H 1 1.556 0.011 . 2 . . . . 297 LYS HB2 . 6829 1 478 . 1 1 42 42 LYS HB3 H 1 1.809 0.01 . 2 . . . . 297 LYS HB3 . 6829 1 479 . 1 1 42 42 LYS HG2 H 1 1.055 0.009 . 2 . . . . 297 LYS HG2 . 6829 1 480 . 1 1 42 42 LYS HG3 H 1 1.18 0.012 . 2 . . . . 297 LYS HG3 . 6829 1 481 . 1 1 42 42 LYS HD2 H 1 1.391 0.01 . 2 . . . . 297 LYS HD2 . 6829 1 482 . 1 1 42 42 LYS HD3 H 1 1.488 0.006 . 2 . . . . 297 LYS HD3 . 6829 1 483 . 1 1 42 42 LYS HE2 H 1 2.78 0.011 . 2 . . . . 297 LYS HE2 . 6829 1 484 . 1 1 42 42 LYS HE3 H 1 2.826 0.006 . 2 . . . . 297 LYS HE3 . 6829 1 485 . 1 1 42 42 LYS C C 13 175.729 0.032 . 1 . . . . 297 LYS C . 6829 1 486 . 1 1 42 42 LYS CA C 13 54.922 0.059 . 1 . . . . 297 LYS CA . 6829 1 487 . 1 1 42 42 LYS CB C 13 34.842 0.11 . 1 . . . . 297 LYS CB . 6829 1 488 . 1 1 42 42 LYS CG C 13 25.128 0.047 . 1 . . . . 297 LYS CG . 6829 1 489 . 1 1 42 42 LYS CD C 13 29.025 0.095 . 1 . . . . 297 LYS CD . 6829 1 490 . 1 1 42 42 LYS CE C 13 41.852 0.085 . 1 . . . . 297 LYS CE . 6829 1 491 . 1 1 42 42 LYS N N 15 128.474 0.048 . 1 . . . . 297 LYS N . 6829 1 492 . 1 1 43 43 LEU H H 1 8.554 0.007 . 1 . . . . 298 LEU H . 6829 1 493 . 1 1 43 43 LEU HA H 1 4.36 0.007 . 1 . . . . 298 LEU HA . 6829 1 494 . 1 1 43 43 LEU HB2 H 1 1.524 0.002 . 2 . . . . 298 LEU HB2 . 6829 1 495 . 1 1 43 43 LEU HB3 H 1 1.603 0.005 . 2 . . . . 298 LEU HB3 . 6829 1 496 . 1 1 43 43 LEU HG H 1 1.489 0.008 . 1 . . . . 298 LEU HG . 6829 1 497 . 1 1 43 43 LEU HD11 H 1 0.758 0.022 . 1 . . . . 298 LEU HD1 . 6829 1 498 . 1 1 43 43 LEU HD12 H 1 0.758 0.022 . 1 . . . . 298 LEU HD1 . 6829 1 499 . 1 1 43 43 LEU HD13 H 1 0.758 0.022 . 1 . . . . 298 LEU HD1 . 6829 1 500 . 1 1 43 43 LEU HD21 H 1 0.615 0.007 . 1 . . . . 298 LEU HD2 . 6829 1 501 . 1 1 43 43 LEU HD22 H 1 0.615 0.007 . 1 . . . . 298 LEU HD2 . 6829 1 502 . 1 1 43 43 LEU HD23 H 1 0.615 0.007 . 1 . . . . 298 LEU HD2 . 6829 1 503 . 1 1 43 43 LEU C C 13 176.066 0.009 . 1 . . . . 298 LEU C . 6829 1 504 . 1 1 43 43 LEU CA C 13 54.611 0.031 . 1 . . . . 298 LEU CA . 6829 1 505 . 1 1 43 43 LEU CB C 13 42.735 0.061 . 1 . . . . 298 LEU CB . 6829 1 506 . 1 1 43 43 LEU CG C 13 27.15 0.08 . 1 . . . . 298 LEU CG . 6829 1 507 . 1 1 43 43 LEU CD1 C 13 25.882 0.045 . 1 . . . . 298 LEU CD1 . 6829 1 508 . 1 1 43 43 LEU CD2 C 13 23.68 0.055 . 1 . . . . 298 LEU CD2 . 6829 1 509 . 1 1 43 43 LEU N N 15 129.071 0.057 . 1 . . . . 298 LEU N . 6829 1 510 . 1 1 44 44 ALA H H 1 7.698 0.006 . 1 . . . . 299 ALA H . 6829 1 511 . 1 1 44 44 ALA HA H 1 4.425 0.056 . 1 . . . . 299 ALA HA . 6829 1 512 . 1 1 44 44 ALA HB1 H 1 1.138 0.006 . 1 . . . . 299 ALA HB . 6829 1 513 . 1 1 44 44 ALA HB2 H 1 1.138 0.006 . 1 . . . . 299 ALA HB . 6829 1 514 . 1 1 44 44 ALA HB3 H 1 1.138 0.006 . 1 . . . . 299 ALA HB . 6829 1 515 . 1 1 44 44 ALA C C 13 174.808 0.048 . 1 . . . . 299 ALA C . 6829 1 516 . 1 1 44 44 ALA CA C 13 50.724 0.07 . 1 . . . . 299 ALA CA . 6829 1 517 . 1 1 44 44 ALA CB C 13 17.404 0.052 . 1 . . . . 299 ALA CB . 6829 1 518 . 1 1 44 44 ALA N N 15 123.507 0.039 . 1 . . . . 299 ALA N . 6829 1 519 . 1 1 45 45 PRO HA H 1 4.235 0.006 . 1 . . . . 300 PRO HA . 6829 1 520 . 1 1 45 45 PRO HB2 H 1 1.765 0.007 . 2 . . . . 300 PRO HB2 . 6829 1 521 . 1 1 45 45 PRO HB3 H 1 2.226 0.008 . 2 . . . . 300 PRO HB3 . 6829 1 522 . 1 1 45 45 PRO HG2 H 1 1.93 0.008 . 2 . . . . 300 PRO HG2 . 6829 1 523 . 1 1 45 45 PRO HG3 H 1 2.071 0.009 . 2 . . . . 300 PRO HG3 . 6829 1 524 . 1 1 45 45 PRO HD2 H 1 3.506 0.01 . 2 . . . . 300 PRO HD2 . 6829 1 525 . 1 1 45 45 PRO HD3 H 1 3.837 0.005 . 2 . . . . 300 PRO HD3 . 6829 1 526 . 1 1 45 45 PRO C C 13 177.834 0.007 . 1 . . . . 300 PRO C . 6829 1 527 . 1 1 45 45 PRO CA C 13 64.144 0.058 . 1 . . . . 300 PRO CA . 6829 1 528 . 1 1 45 45 PRO CB C 13 31.38 0.114 . 1 . . . . 300 PRO CB . 6829 1 529 . 1 1 45 45 PRO CG C 13 28.117 0.251 . 1 . . . . 300 PRO CG . 6829 1 530 . 1 1 45 45 PRO CD C 13 50.181 0.105 . 1 . . . . 300 PRO CD . 6829 1 531 . 1 1 46 46 GLY H H 1 8.529 0.009 . 1 . . . . 301 GLY H . 6829 1 532 . 1 1 46 46 GLY HA2 H 1 3.618 0.01 . 2 . . . . 301 GLY HA2 . 6829 1 533 . 1 1 46 46 GLY HA3 H 1 4.053 0.007 . 2 . . . . 301 GLY HA3 . 6829 1 534 . 1 1 46 46 GLY C C 13 173.665 0.001 . 1 . . . . 301 GLY C . 6829 1 535 . 1 1 46 46 GLY CA C 13 45.195 0.077 . 1 . . . . 301 GLY CA . 6829 1 536 . 1 1 46 46 GLY N N 15 111.145 0.044 . 1 . . . . 301 GLY N . 6829 1 537 . 1 1 47 47 ALA H H 1 7.913 0.006 . 1 . . . . 302 ALA H . 6829 1 538 . 1 1 47 47 ALA HA H 1 5.462 0.005 . 1 . . . . 302 ALA HA . 6829 1 539 . 1 1 47 47 ALA HB1 H 1 1.41 0.005 . 1 . . . . 302 ALA HB . 6829 1 540 . 1 1 47 47 ALA HB2 H 1 1.41 0.005 . 1 . . . . 302 ALA HB . 6829 1 541 . 1 1 47 47 ALA HB3 H 1 1.41 0.005 . 1 . . . . 302 ALA HB . 6829 1 542 . 1 1 47 47 ALA C C 13 176.959 0.001 . 1 . . . . 302 ALA C . 6829 1 543 . 1 1 47 47 ALA CA C 13 50.839 0.025 . 1 . . . . 302 ALA CA . 6829 1 544 . 1 1 47 47 ALA CB C 13 21.415 0.042 . 1 . . . . 302 ALA CB . 6829 1 545 . 1 1 47 47 ALA N N 15 124.276 0.026 . 1 . . . . 302 ALA N . 6829 1 546 . 1 1 48 48 THR H H 1 8.932 0.007 . 1 . . . . 303 THR H . 6829 1 547 . 1 1 48 48 THR HA H 1 4.591 0.01 . 1 . . . . 303 THR HA . 6829 1 548 . 1 1 48 48 THR HB H 1 4.072 0.005 . 1 . . . . 303 THR HB . 6829 1 549 . 1 1 48 48 THR HG21 H 1 1.134 0.013 . 1 . . . . 303 THR HG2 . 6829 1 550 . 1 1 48 48 THR HG22 H 1 1.134 0.013 . 1 . . . . 303 THR HG2 . 6829 1 551 . 1 1 48 48 THR HG23 H 1 1.134 0.013 . 1 . . . . 303 THR HG2 . 6829 1 552 . 1 1 48 48 THR C C 13 173.422 0.002 . 1 . . . . 303 THR C . 6829 1 553 . 1 1 48 48 THR CA C 13 59.858 0.078 . 1 . . . . 303 THR CA . 6829 1 554 . 1 1 48 48 THR CB C 13 72.564 0.06 . 1 . . . . 303 THR CB . 6829 1 555 . 1 1 48 48 THR CG2 C 13 22.082 0.093 . 1 . . . . 303 THR CG2 . 6829 1 556 . 1 1 48 48 THR N N 15 110.817 0.049 . 1 . . . . 303 THR N . 6829 1 557 . 1 1 49 49 VAL H H 1 9.035 0.012 . 1 . . . . 304 VAL H . 6829 1 558 . 1 1 49 49 VAL HA H 1 4.487 0.01 . 1 . . . . 304 VAL HA . 6829 1 559 . 1 1 49 49 VAL HB H 1 2.019 0.009 . 1 . . . . 304 VAL HB . 6829 1 560 . 1 1 49 49 VAL HG11 H 1 1.174 0.01 . 1 . . . . 304 VAL HG1 . 6829 1 561 . 1 1 49 49 VAL HG12 H 1 1.174 0.01 . 1 . . . . 304 VAL HG1 . 6829 1 562 . 1 1 49 49 VAL HG13 H 1 1.174 0.01 . 1 . . . . 304 VAL HG1 . 6829 1 563 . 1 1 49 49 VAL HG21 H 1 0.954 0.004 . 1 . . . . 304 VAL HG2 . 6829 1 564 . 1 1 49 49 VAL HG22 H 1 0.954 0.004 . 1 . . . . 304 VAL HG2 . 6829 1 565 . 1 1 49 49 VAL HG23 H 1 0.954 0.004 . 1 . . . . 304 VAL HG2 . 6829 1 566 . 1 1 49 49 VAL C C 13 176.491 0.011 . 1 . . . . 304 VAL C . 6829 1 567 . 1 1 49 49 VAL CA C 13 63.313 0.094 . 1 . . . . 304 VAL CA . 6829 1 568 . 1 1 49 49 VAL CB C 13 32.07 0.035 . 1 . . . . 304 VAL CB . 6829 1 569 . 1 1 49 49 VAL CG1 C 13 22.293 0.056 . 1 . . . . 304 VAL CG1 . 6829 1 570 . 1 1 49 49 VAL CG2 C 13 23.818 0.075 . 1 . . . . 304 VAL CG2 . 6829 1 571 . 1 1 49 49 VAL N N 15 123.39 0.063 . 1 . . . . 304 VAL N . 6829 1 572 . 1 1 50 50 GLY H H 1 9.512 0.01 . 1 . . . . 305 GLY H . 6829 1 573 . 1 1 50 50 GLY HA2 H 1 3.727 0.005 . 2 . . . . 305 GLY HA2 . 6829 1 574 . 1 1 50 50 GLY HA3 H 1 4.493 0.011 . 2 . . . . 305 GLY HA3 . 6829 1 575 . 1 1 50 50 GLY C C 13 173.695 0.005 . 1 . . . . 305 GLY C . 6829 1 576 . 1 1 50 50 GLY CA C 13 45.33 0.099 . 1 . . . . 305 GLY CA . 6829 1 577 . 1 1 50 50 GLY N N 15 118.693 0.031 . 1 . . . . 305 GLY N . 6829 1 578 . 1 1 51 51 SER H H 1 8.299 0.006 . 1 . . . . 306 SER H . 6829 1 579 . 1 1 51 51 SER HA H 1 4.759 0.004 . 1 . . . . 306 SER HA . 6829 1 580 . 1 1 51 51 SER HB2 H 1 4.06 0.003 . 2 . . . . 306 SER HB2 . 6829 1 581 . 1 1 51 51 SER C C 13 171.88 0.003 . 1 . . . . 306 SER C . 6829 1 582 . 1 1 51 51 SER CA C 13 58.539 0.053 . 1 . . . . 306 SER CA . 6829 1 583 . 1 1 51 51 SER CB C 13 64.567 0.069 . 1 . . . . 306 SER CB . 6829 1 584 . 1 1 51 51 SER N N 15 117.901 0.122 . 1 . . . . 306 SER N . 6829 1 585 . 1 1 52 52 PHE H H 1 7.949 0.013 . 1 . . . . 307 PHE H . 6829 1 586 . 1 1 52 52 PHE HA H 1 5.015 0.008 . 1 . . . . 307 PHE HA . 6829 1 587 . 1 1 52 52 PHE HB2 H 1 2.941 0.005 . 2 . . . . 307 PHE HB2 . 6829 1 588 . 1 1 52 52 PHE HB3 H 1 3.37 0.006 . 2 . . . . 307 PHE HB3 . 6829 1 589 . 1 1 52 52 PHE HD1 H 1 7.22 0.006 . 3 . . . . 307 PHE HD1 . 6829 1 590 . 1 1 52 52 PHE HE1 H 1 6.45 0.002 . 3 . . . . 307 PHE HE1 . 6829 1 591 . 1 1 52 52 PHE HZ H 1 6.316 0.004 . 1 . . . . 307 PHE HZ . 6829 1 592 . 1 1 52 52 PHE C C 13 173.367 0.001 . 1 . . . . 307 PHE C . 6829 1 593 . 1 1 52 52 PHE CA C 13 57.201 0.085 . 1 . . . . 307 PHE CA . 6829 1 594 . 1 1 52 52 PHE CB C 13 41.737 0.084 . 1 . . . . 307 PHE CB . 6829 1 595 . 1 1 52 52 PHE N N 15 115.83 0.044 . 1 . . . . 307 PHE N . 6829 1 596 . 1 1 53 53 TRP H H 1 8.217 0.008 . 1 . . . . 308 TRP H . 6829 1 597 . 1 1 53 53 TRP HA H 1 5.092 0.007 . 1 . . . . 308 TRP HA . 6829 1 598 . 1 1 53 53 TRP HB2 H 1 2.938 0.014 . 2 . . . . 308 TRP HB2 . 6829 1 599 . 1 1 53 53 TRP HB3 H 1 3.177 0.022 . 2 . . . . 308 TRP HB3 . 6829 1 600 . 1 1 53 53 TRP HD1 H 1 7.158 0.017 . 1 . . . . 308 TRP HD1 . 6829 1 601 . 1 1 53 53 TRP HE1 H 1 10.061 0.002 . 1 . . . . 308 TRP HE1 . 6829 1 602 . 1 1 53 53 TRP HE3 H 1 7.219 0.002 . 1 . . . . 308 TRP HE3 . 6829 1 603 . 1 1 53 53 TRP HZ2 H 1 7.22 0.006 . 1 . . . . 308 TRP HZ2 . 6829 1 604 . 1 1 53 53 TRP HZ3 H 1 7.535 0.003 . 1 . . . . 308 TRP HZ3 . 6829 1 605 . 1 1 53 53 TRP HH2 H 1 7.631 0.001 . 1 . . . . 308 TRP HH2 . 6829 1 606 . 1 1 53 53 TRP C C 13 173.907 0.004 . 1 . . . . 308 TRP C . 6829 1 607 . 1 1 53 53 TRP CA C 13 56.153 0.051 . 1 . . . . 308 TRP CA . 6829 1 608 . 1 1 53 53 TRP CB C 13 30.052 0.03 . 1 . . . . 308 TRP CB . 6829 1 609 . 1 1 53 53 TRP N N 15 117.631 0.024 . 1 . . . . 308 TRP N . 6829 1 610 . 1 1 53 53 TRP NE1 N 15 128.932 0.009 . 1 . . . . 308 TRP NE1 . 6829 1 611 . 1 1 54 54 SER H H 1 8.905 0.011 . 1 . . . . 309 SER H . 6829 1 612 . 1 1 54 54 SER HA H 1 4.031 0.005 . 1 . . . . 309 SER HA . 6829 1 613 . 1 1 54 54 SER HB2 H 1 4.474 0.004 . 2 . . . . 309 SER HB2 . 6829 1 614 . 1 1 54 54 SER HB3 H 1 4.748 0.009 . 2 . . . . 309 SER HB3 . 6829 1 615 . 1 1 54 54 SER C C 13 171.308 0.001 . 1 . . . . 309 SER C . 6829 1 616 . 1 1 54 54 SER CA C 13 59.12 0.052 . 1 . . . . 309 SER CA . 6829 1 617 . 1 1 54 54 SER CB C 13 61.172 0.074 . 1 . . . . 309 SER CB . 6829 1 618 . 1 1 54 54 SER N N 15 107.263 0.051 . 1 . . . . 309 SER N . 6829 1 619 . 1 1 55 55 ALA H H 1 7.72 0.007 . 1 . . . . 310 ALA H . 6829 1 620 . 1 1 55 55 ALA HA H 1 4.585 0.006 . 1 . . . . 310 ALA HA . 6829 1 621 . 1 1 55 55 ALA HB1 H 1 1.03 0.007 . 1 . . . . 310 ALA HB . 6829 1 622 . 1 1 55 55 ALA HB2 H 1 1.03 0.007 . 1 . . . . 310 ALA HB . 6829 1 623 . 1 1 55 55 ALA HB3 H 1 1.03 0.007 . 1 . . . . 310 ALA HB . 6829 1 624 . 1 1 55 55 ALA C C 13 175.408 0.002 . 1 . . . . 310 ALA C . 6829 1 625 . 1 1 55 55 ALA CA C 13 50.925 0.028 . 1 . . . . 310 ALA CA . 6829 1 626 . 1 1 55 55 ALA CB C 13 22.846 0.071 . 1 . . . . 310 ALA CB . 6829 1 627 . 1 1 55 55 ALA N N 15 117.178 0.039 . 1 . . . . 310 ALA N . 6829 1 628 . 1 1 56 56 ASN H H 1 9.131 0.006 . 1 . . . . 311 ASN H . 6829 1 629 . 1 1 56 56 ASN HA H 1 5.032 0.008 . 1 . . . . 311 ASN HA . 6829 1 630 . 1 1 56 56 ASN HB2 H 1 2.348 0.008 . 2 . . . . 311 ASN HB2 . 6829 1 631 . 1 1 56 56 ASN HB3 H 1 2.499 0.009 . 2 . . . . 311 ASN HB3 . 6829 1 632 . 1 1 56 56 ASN HD21 H 1 6.702 0.006 . 2 . . . . 311 ASN HD21 . 6829 1 633 . 1 1 56 56 ASN C C 13 173.383 0.006 . 1 . . . . 311 ASN C . 6829 1 634 . 1 1 56 56 ASN CA C 13 52.325 0.053 . 1 . . . . 311 ASN CA . 6829 1 635 . 1 1 56 56 ASN CB C 13 40.332 0.041 . 1 . . . . 311 ASN CB . 6829 1 636 . 1 1 56 56 ASN CG C 13 176.253 0.33 . 1 . . . . 311 ASN CG . 6829 1 637 . 1 1 56 56 ASN N N 15 117.954 0.017 . 1 . . . . 311 ASN N . 6829 1 638 . 1 1 56 56 ASN ND2 N 15 113.947 0.253 . 1 . . . . 311 ASN ND2 . 6829 1 639 . 1 1 57 57 LYS H H 1 8.287 0.015 . 1 . . . . 312 LYS H . 6829 1 640 . 1 1 57 57 LYS HA H 1 4.475 0.007 . 1 . . . . 312 LYS HA . 6829 1 641 . 1 1 57 57 LYS HB2 H 1 0.011 0.019 . 2 . . . . 312 LYS HB2 . 6829 1 642 . 1 1 57 57 LYS HB3 H 1 0.761 0.014 . 2 . . . . 312 LYS HB3 . 6829 1 643 . 1 1 57 57 LYS HG2 H 1 0.261 0.046 . 2 . . . . 312 LYS HG2 . 6829 1 644 . 1 1 57 57 LYS HG3 H 1 0.34 0.018 . 2 . . . . 312 LYS HG3 . 6829 1 645 . 1 1 57 57 LYS HD2 H 1 0.795 0.007 . 2 . . . . 312 LYS HD2 . 6829 1 646 . 1 1 57 57 LYS HD3 H 1 1.045 0.007 . 2 . . . . 312 LYS HD3 . 6829 1 647 . 1 1 57 57 LYS HE2 H 1 2.467 0.009 . 2 . . . . 312 LYS HE2 . 6829 1 648 . 1 1 57 57 LYS HE3 H 1 2.665 0.009 . 2 . . . . 312 LYS HE3 . 6829 1 649 . 1 1 57 57 LYS C C 13 174.96 0.022 . 1 . . . . 312 LYS C . 6829 1 650 . 1 1 57 57 LYS CA C 13 54.875 0.075 . 1 . . . . 312 LYS CA . 6829 1 651 . 1 1 57 57 LYS CB C 13 34.605 0.053 . 1 . . . . 312 LYS CB . 6829 1 652 . 1 1 57 57 LYS CG C 13 24.073 0.044 . 1 . . . . 312 LYS CG . 6829 1 653 . 1 1 57 57 LYS CD C 13 28.126 0.075 . 1 . . . . 312 LYS CD . 6829 1 654 . 1 1 57 57 LYS CE C 13 41.129 0.073 . 1 . . . . 312 LYS CE . 6829 1 655 . 1 1 57 57 LYS N N 15 121.259 0.024 . 1 . . . . 312 LYS N . 6829 1 656 . 1 1 58 58 GLN H H 1 8.579 0.007 . 1 . . . . 313 GLN H . 6829 1 657 . 1 1 58 58 GLN HA H 1 4.446 0.006 . 1 . . . . 313 GLN HA . 6829 1 658 . 1 1 58 58 GLN HB2 H 1 1.709 0.008 . 2 . . . . 313 GLN HB2 . 6829 1 659 . 1 1 58 58 GLN HB3 H 1 1.88 0.009 . 2 . . . . 313 GLN HB3 . 6829 1 660 . 1 1 58 58 GLN HG2 H 1 2.106 0.006 . 2 . . . . 313 GLN HG2 . 6829 1 661 . 1 1 58 58 GLN HE21 H 1 6.693 0.006 . 2 . . . . 313 GLN HE21 . 6829 1 662 . 1 1 58 58 GLN HE22 H 1 7.395 0.01 . 2 . . . . 313 GLN HE22 . 6829 1 663 . 1 1 58 58 GLN C C 13 173.921 0.08 . 1 . . . . 313 GLN C . 6829 1 664 . 1 1 58 58 GLN CA C 13 54.323 0.072 . 1 . . . . 313 GLN CA . 6829 1 665 . 1 1 58 58 GLN CB C 13 32.39 0.064 . 1 . . . . 313 GLN CB . 6829 1 666 . 1 1 58 58 GLN CG C 13 33.736 0.084 . 1 . . . . 313 GLN CG . 6829 1 667 . 1 1 58 58 GLN CD C 13 180.325 0.018 . 1 . . . . 313 GLN CD . 6829 1 668 . 1 1 58 58 GLN N N 15 126.095 0.083 . 1 . . . . 313 GLN N . 6829 1 669 . 1 1 58 58 GLN NE2 N 15 111.449 0.255 . 1 . . . . 313 GLN NE2 . 6829 1 670 . 1 1 59 59 GLU H H 1 8.617 0.01 . 1 . . . . 314 GLU H . 6829 1 671 . 1 1 59 59 GLU HA H 1 4.673 0.009 . 1 . . . . 314 GLU HA . 6829 1 672 . 1 1 59 59 GLU HB2 H 1 1.74 0.009 . 2 . . . . 314 GLU HB2 . 6829 1 673 . 1 1 59 59 GLU HB3 H 1 1.982 0.012 . 2 . . . . 314 GLU HB3 . 6829 1 674 . 1 1 59 59 GLU HG2 H 1 2.041 0.009 . 2 . . . . 314 GLU HG2 . 6829 1 675 . 1 1 59 59 GLU C C 13 175.694 0.003 . 1 . . . . 314 GLU C . 6829 1 676 . 1 1 59 59 GLU CA C 13 55.803 0.034 . 1 . . . . 314 GLU CA . 6829 1 677 . 1 1 59 59 GLU CB C 13 32.196 0.083 . 1 . . . . 314 GLU CB . 6829 1 678 . 1 1 59 59 GLU CG C 13 36.539 0.046 . 1 . . . . 314 GLU CG . 6829 1 679 . 1 1 59 59 GLU N N 15 122.685 0.041 . 1 . . . . 314 GLU N . 6829 1 680 . 1 1 60 60 GLY H H 1 8.08 0.005 . 1 . . . . 315 GLY H . 6829 1 681 . 1 1 60 60 GLY HA2 H 1 3.465 0.004 . 2 . . . . 315 GLY HA2 . 6829 1 682 . 1 1 60 60 GLY HA3 H 1 4.117 0.01 . 2 . . . . 315 GLY HA3 . 6829 1 683 . 1 1 60 60 GLY C C 13 173.282 0.001 . 1 . . . . 315 GLY C . 6829 1 684 . 1 1 60 60 GLY CA C 13 45.181 0.101 . 1 . . . . 315 GLY CA . 6829 1 685 . 1 1 60 60 GLY N N 15 111.02 0.038 . 1 . . . . 315 GLY N . 6829 1 686 . 1 1 61 61 ASN H H 1 8.733 0.014 . 1 . . . . 316 ASN H . 6829 1 687 . 1 1 61 61 ASN HA H 1 4.511 0.005 . 1 . . . . 316 ASN HA . 6829 1 688 . 1 1 61 61 ASN HB2 H 1 2.717 0.003 . 2 . . . . 316 ASN HB2 . 6829 1 689 . 1 1 61 61 ASN HB3 H 1 3.008 0.006 . 2 . . . . 316 ASN HB3 . 6829 1 690 . 1 1 61 61 ASN HD21 H 1 6.846 0.009 . 2 . . . . 316 ASN HD21 . 6829 1 691 . 1 1 61 61 ASN HD22 H 1 7.512 0.008 . 2 . . . . 316 ASN HD22 . 6829 1 692 . 1 1 61 61 ASN C C 13 174.432 0.005 . 1 . . . . 316 ASN C . 6829 1 693 . 1 1 61 61 ASN CA C 13 53.592 0.12 . 1 . . . . 316 ASN CA . 6829 1 694 . 1 1 61 61 ASN CB C 13 37.518 0.131 . 1 . . . . 316 ASN CB . 6829 1 695 . 1 1 61 61 ASN CG C 13 177.84 0.011 . 1 . . . . 316 ASN CG . 6829 1 696 . 1 1 61 61 ASN N N 15 119.761 0.025 . 1 . . . . 316 ASN N . 6829 1 697 . 1 1 61 61 ASN ND2 N 15 112.094 0.236 . 1 . . . . 316 ASN ND2 . 6829 1 698 . 1 1 62 62 GLY H H 1 8.594 0.008 . 1 . . . . 317 GLY H . 6829 1 699 . 1 1 62 62 GLY HA2 H 1 3.588 0.007 . 2 . . . . 317 GLY HA2 . 6829 1 700 . 1 1 62 62 GLY HA3 H 1 4.086 0.01 . 2 . . . . 317 GLY HA3 . 6829 1 701 . 1 1 62 62 GLY C C 13 173.782 0.004 . 1 . . . . 317 GLY C . 6829 1 702 . 1 1 62 62 GLY CA C 13 45.162 0.058 . 1 . . . . 317 GLY CA . 6829 1 703 . 1 1 62 62 GLY N N 15 107.876 0.048 . 1 . . . . 317 GLY N . 6829 1 704 . 1 1 63 63 TYR H H 1 7.496 0.006 . 1 . . . . 318 TYR H . 6829 1 705 . 1 1 63 63 TYR HA H 1 5.134 0.005 . 1 . . . . 318 TYR HA . 6829 1 706 . 1 1 63 63 TYR HB2 H 1 2.657 0.022 . 2 . . . . 318 TYR HB2 . 6829 1 707 . 1 1 63 63 TYR HB3 H 1 2.723 0.011 . 2 . . . . 318 TYR HB3 . 6829 1 708 . 1 1 63 63 TYR HD1 H 1 6.749 0.012 . 3 . . . . 318 TYR HD1 . 6829 1 709 . 1 1 63 63 TYR HE1 H 1 6.703 0.008 . 3 . . . . 318 TYR HE1 . 6829 1 710 . 1 1 63 63 TYR C C 13 174.591 0.003 . 1 . . . . 318 TYR C . 6829 1 711 . 1 1 63 63 TYR CA C 13 56.536 0.089 . 1 . . . . 318 TYR CA . 6829 1 712 . 1 1 63 63 TYR CB C 13 41.739 0.047 . 1 . . . . 318 TYR CB . 6829 1 713 . 1 1 63 63 TYR CD1 C 13 133.249 0.25 . 3 . . . . 318 TYR CD1 . 6829 1 714 . 1 1 63 63 TYR CE1 C 13 117.719 0.25 . 3 . . . . 318 TYR CE1 . 6829 1 715 . 1 1 63 63 TYR N N 15 116.803 0.021 . 1 . . . . 318 TYR N . 6829 1 716 . 1 1 64 64 VAL H H 1 9.056 0.006 . 1 . . . . 319 VAL H . 6829 1 717 . 1 1 64 64 VAL HA H 1 4.205 0.006 . 1 . . . . 319 VAL HA . 6829 1 718 . 1 1 64 64 VAL HB H 1 1.475 0.008 . 1 . . . . 319 VAL HB . 6829 1 719 . 1 1 64 64 VAL HG11 H 1 0.156 0.011 . 1 . . . . 319 VAL HG1 . 6829 1 720 . 1 1 64 64 VAL HG12 H 1 0.156 0.011 . 1 . . . . 319 VAL HG1 . 6829 1 721 . 1 1 64 64 VAL HG13 H 1 0.156 0.011 . 1 . . . . 319 VAL HG1 . 6829 1 722 . 1 1 64 64 VAL HG21 H 1 0.548 0.01 . 1 . . . . 319 VAL HG2 . 6829 1 723 . 1 1 64 64 VAL HG22 H 1 0.548 0.01 . 1 . . . . 319 VAL HG2 . 6829 1 724 . 1 1 64 64 VAL HG23 H 1 0.548 0.01 . 1 . . . . 319 VAL HG2 . 6829 1 725 . 1 1 64 64 VAL C C 13 173.325 0.008 . 1 . . . . 319 VAL C . 6829 1 726 . 1 1 64 64 VAL CA C 13 61.382 0.043 . 1 . . . . 319 VAL CA . 6829 1 727 . 1 1 64 64 VAL CB C 13 33.564 0.055 . 1 . . . . 319 VAL CB . 6829 1 728 . 1 1 64 64 VAL CG1 C 13 22.58 0.057 . 1 . . . . 319 VAL CG1 . 6829 1 729 . 1 1 64 64 VAL CG2 C 13 21.734 0.095 . 1 . . . . 319 VAL CG2 . 6829 1 730 . 1 1 64 64 VAL N N 15 119.725 0.037 . 1 . . . . 319 VAL N . 6829 1 731 . 1 1 65 65 ILE H H 1 8.581 0.005 . 1 . . . . 320 ILE H . 6829 1 732 . 1 1 65 65 ILE HA H 1 4.637 0.008 . 1 . . . . 320 ILE HA . 6829 1 733 . 1 1 65 65 ILE HB H 1 1.429 0.007 . 1 . . . . 320 ILE HB . 6829 1 734 . 1 1 65 65 ILE HG12 H 1 0.785 0.009 . 1 . . . . 320 ILE HG12 . 6829 1 735 . 1 1 65 65 ILE HG13 H 1 1.293 0.017 . 1 . . . . 320 ILE HG13 . 6829 1 736 . 1 1 65 65 ILE HG21 H 1 0.632 0.006 . 1 . . . . 320 ILE HG2 . 6829 1 737 . 1 1 65 65 ILE HG22 H 1 0.632 0.006 . 1 . . . . 320 ILE HG2 . 6829 1 738 . 1 1 65 65 ILE HG23 H 1 0.632 0.006 . 1 . . . . 320 ILE HG2 . 6829 1 739 . 1 1 65 65 ILE HD11 H 1 0.621 0.008 . 1 . . . . 320 ILE HD1 . 6829 1 740 . 1 1 65 65 ILE HD12 H 1 0.621 0.008 . 1 . . . . 320 ILE HD1 . 6829 1 741 . 1 1 65 65 ILE HD13 H 1 0.621 0.008 . 1 . . . . 320 ILE HD1 . 6829 1 742 . 1 1 65 65 ILE C C 13 175.076 0.015 . 1 . . . . 320 ILE C . 6829 1 743 . 1 1 65 65 ILE CA C 13 59.929 0.115 . 1 . . . . 320 ILE CA . 6829 1 744 . 1 1 65 65 ILE CB C 13 40.224 0.041 . 1 . . . . 320 ILE CB . 6829 1 745 . 1 1 65 65 ILE CG1 C 13 27.785 0.061 . 1 . . . . 320 ILE CG1 . 6829 1 746 . 1 1 65 65 ILE CG2 C 13 18.485 0.053 . 1 . . . . 320 ILE CG2 . 6829 1 747 . 1 1 65 65 ILE CD1 C 13 13.267 0.058 . 1 . . . . 320 ILE CD1 . 6829 1 748 . 1 1 65 65 ILE N N 15 125.735 0.063 . 1 . . . . 320 ILE N . 6829 1 749 . 1 1 66 66 PHE H H 1 9.515 0.009 . 1 . . . . 321 PHE H . 6829 1 750 . 1 1 66 66 PHE HA H 1 5.681 0.007 . 1 . . . . 321 PHE HA . 6829 1 751 . 1 1 66 66 PHE HB2 H 1 2.274 0.012 . 2 . . . . 321 PHE HB2 . 6829 1 752 . 1 1 66 66 PHE HB3 H 1 2.553 0.011 . 2 . . . . 321 PHE HB3 . 6829 1 753 . 1 1 66 66 PHE HD1 H 1 6.715 0.005 . 3 . . . . 321 PHE HD1 . 6829 1 754 . 1 1 66 66 PHE HE1 H 1 6.012 0.008 . 3 . . . . 321 PHE HE1 . 6829 1 755 . 1 1 66 66 PHE HZ H 1 6.09 0.012 . 1 . . . . 321 PHE HZ . 6829 1 756 . 1 1 66 66 PHE C C 13 174.715 0.005 . 1 . . . . 321 PHE C . 6829 1 757 . 1 1 66 66 PHE CA C 13 56.277 0.023 . 1 . . . . 321 PHE CA . 6829 1 758 . 1 1 66 66 PHE CB C 13 42.133 0.067 . 1 . . . . 321 PHE CB . 6829 1 759 . 1 1 66 66 PHE CD1 C 13 131.308 0.25 . 3 . . . . 321 PHE CD1 . 6829 1 760 . 1 1 66 66 PHE CE1 C 13 129.921 0.25 . 3 . . . . 321 PHE CE1 . 6829 1 761 . 1 1 66 66 PHE CZ C 13 127.98 0.25 . 1 . . . . 321 PHE CZ . 6829 1 762 . 1 1 66 66 PHE N N 15 127.167 0.045 . 1 . . . . 321 PHE N . 6829 1 763 . 1 1 67 67 THR H H 1 8.169 0.006 . 1 . . . . 322 THR H . 6829 1 764 . 1 1 67 67 THR HA H 1 4.326 0.02 . 1 . . . . 322 THR HA . 6829 1 765 . 1 1 67 67 THR HB H 1 4.03 0.013 . 1 . . . . 322 THR HB . 6829 1 766 . 1 1 67 67 THR HG21 H 1 1.015 0.008 . 1 . . . . 322 THR HG2 . 6829 1 767 . 1 1 67 67 THR HG22 H 1 1.015 0.008 . 1 . . . . 322 THR HG2 . 6829 1 768 . 1 1 67 67 THR HG23 H 1 1.015 0.008 . 1 . . . . 322 THR HG2 . 6829 1 769 . 1 1 67 67 THR C C 13 171.474 0.08 . 1 . . . . 322 THR C . 6829 1 770 . 1 1 67 67 THR CA C 13 57.916 0.146 . 1 . . . . 322 THR CA . 6829 1 771 . 1 1 67 67 THR CB C 13 69.871 0.167 . 1 . . . . 322 THR CB . 6829 1 772 . 1 1 67 67 THR CG2 C 13 22.73 0.145 . 1 . . . . 322 THR CG2 . 6829 1 773 . 1 1 67 67 THR N N 15 111.42 0.043 . 1 . . . . 322 THR N . 6829 1 774 . 1 1 68 68 PRO HA H 1 3.699 0.007 . 1 . . . . 323 PRO HA . 6829 1 775 . 1 1 68 68 PRO HB2 H 1 1.586 0.013 . 2 . . . . 323 PRO HB2 . 6829 1 776 . 1 1 68 68 PRO HB3 H 1 1.724 0.009 . 2 . . . . 323 PRO HB3 . 6829 1 777 . 1 1 68 68 PRO HG2 H 1 0.547 0.009 . 2 . . . . 323 PRO HG2 . 6829 1 778 . 1 1 68 68 PRO HG3 H 1 1.435 0.007 . 2 . . . . 323 PRO HG3 . 6829 1 779 . 1 1 68 68 PRO HD2 H 1 2.998 0.006 . 2 . . . . 323 PRO HD2 . 6829 1 780 . 1 1 68 68 PRO HD3 H 1 1.576 0.008 . 2 . . . . 323 PRO HD3 . 6829 1 781 . 1 1 68 68 PRO C C 13 179.731 0.08 . 1 . . . . 323 PRO C . 6829 1 782 . 1 1 68 68 PRO CA C 13 63.934 0.073 . 1 . . . . 323 PRO CA . 6829 1 783 . 1 1 68 68 PRO CB C 13 30.899 0.04 . 1 . . . . 323 PRO CB . 6829 1 784 . 1 1 68 68 PRO CG C 13 26.184 0.089 . 1 . . . . 323 PRO CG . 6829 1 785 . 1 1 68 68 PRO CD C 13 49.541 0.022 . 1 . . . . 323 PRO CD . 6829 1 786 . 1 1 69 69 VAL H H 1 5.592 0.015 . 1 . . . . 324 VAL H . 6829 1 787 . 1 1 69 69 VAL HA H 1 4.213 0.004 . 1 . . . . 324 VAL HA . 6829 1 788 . 1 1 69 69 VAL HB H 1 1.872 0.006 . 1 . . . . 324 VAL HB . 6829 1 789 . 1 1 69 69 VAL HG11 H 1 0.586 0.143 . 1 . . . . 324 VAL HG1 . 6829 1 790 . 1 1 69 69 VAL HG12 H 1 0.586 0.143 . 1 . . . . 324 VAL HG1 . 6829 1 791 . 1 1 69 69 VAL HG13 H 1 0.586 0.143 . 1 . . . . 324 VAL HG1 . 6829 1 792 . 1 1 69 69 VAL HG21 H 1 -0.284 0.005 . 1 . . . . 324 VAL HG2 . 6829 1 793 . 1 1 69 69 VAL HG22 H 1 -0.284 0.005 . 1 . . . . 324 VAL HG2 . 6829 1 794 . 1 1 69 69 VAL HG23 H 1 -0.284 0.005 . 1 . . . . 324 VAL HG2 . 6829 1 795 . 1 1 69 69 VAL C C 13 178.772 0.013 . 1 . . . . 324 VAL C . 6829 1 796 . 1 1 69 69 VAL CA C 13 60.735 0.062 . 1 . . . . 324 VAL CA . 6829 1 797 . 1 1 69 69 VAL CB C 13 31.459 0.153 . 1 . . . . 324 VAL CB . 6829 1 798 . 1 1 69 69 VAL CG1 C 13 21.59 0.042 . 1 . . . . 324 VAL CG1 . 6829 1 799 . 1 1 69 69 VAL CG2 C 13 17.374 0.05 . 1 . . . . 324 VAL CG2 . 6829 1 800 . 1 1 69 69 VAL N N 15 109.629 0.062 . 1 . . . . 324 VAL N . 6829 1 801 . 1 1 70 70 SER H H 1 8.371 0.011 . 1 . . . . 325 SER H . 6829 1 802 . 1 1 70 70 SER HA H 1 3.882 0.01 . 1 . . . . 325 SER HA . 6829 1 803 . 1 1 70 70 SER HB2 H 1 3.753 0.006 . 2 . . . . 325 SER HB2 . 6829 1 804 . 1 1 70 70 SER C C 13 176.629 2.146 . 1 . . . . 325 SER C . 6829 1 805 . 1 1 70 70 SER CA C 13 62.574 0.077 . 1 . . . . 325 SER CA . 6829 1 806 . 1 1 70 70 SER CB C 13 62.73 0.015 . 1 . . . . 325 SER CB . 6829 1 807 . 1 1 70 70 SER N N 15 114.958 0.044 . 1 . . . . 325 SER N . 6829 1 808 . 1 1 71 71 TRP H H 1 6.493 0.006 . 1 . . . . 326 TRP H . 6829 1 809 . 1 1 71 71 TRP HA H 1 4.819 0.011 . 1 . . . . 326 TRP HA . 6829 1 810 . 1 1 71 71 TRP HB2 H 1 3.012 0.01 . 2 . . . . 326 TRP HB2 . 6829 1 811 . 1 1 71 71 TRP HB3 H 1 3.795 0.003 . 2 . . . . 326 TRP HB3 . 6829 1 812 . 1 1 71 71 TRP HD1 H 1 7.084 0.01 . 1 . . . . 326 TRP HD1 . 6829 1 813 . 1 1 71 71 TRP HE1 H 1 10.059 0.006 . 1 . . . . 326 TRP HE1 . 6829 1 814 . 1 1 71 71 TRP HE3 H 1 7.61 0.01 . 1 . . . . 326 TRP HE3 . 6829 1 815 . 1 1 71 71 TRP HZ2 H 1 7.375 0.01 . 1 . . . . 326 TRP HZ2 . 6829 1 816 . 1 1 71 71 TRP HZ3 H 1 7.25 0.007 . 1 . . . . 326 TRP HZ3 . 6829 1 817 . 1 1 71 71 TRP HH2 H 1 7.48 0.022 . 1 . . . . 326 TRP HH2 . 6829 1 818 . 1 1 71 71 TRP C C 13 176.433 0.003 . 1 . . . . 326 TRP C . 6829 1 819 . 1 1 71 71 TRP CA C 13 54.695 0.067 . 1 . . . . 326 TRP CA . 6829 1 820 . 1 1 71 71 TRP CB C 13 29.136 0.055 . 1 . . . . 326 TRP CB . 6829 1 821 . 1 1 71 71 TRP CE3 C 13 121.53 0.25 . 1 . . . . 326 TRP CE3 . 6829 1 822 . 1 1 71 71 TRP CZ2 C 13 114.879 0.005 . 1 . . . . 326 TRP CZ2 . 6829 1 823 . 1 1 71 71 TRP CZ3 C 13 122.085 0.25 . 1 . . . . 326 TRP CZ3 . 6829 1 824 . 1 1 71 71 TRP CH2 C 13 125.135 0.25 . 1 . . . . 326 TRP CH2 . 6829 1 825 . 1 1 71 71 TRP N N 15 114.229 0.025 . 1 . . . . 326 TRP N . 6829 1 826 . 1 1 71 71 TRP NE1 N 15 131.852 0.031 . 1 . . . . 326 TRP NE1 . 6829 1 827 . 1 1 72 72 ASN H H 1 7.664 0.007 . 1 . . . . 327 ASN H . 6829 1 828 . 1 1 72 72 ASN HA H 1 5.724 0.005 . 1 . . . . 327 ASN HA . 6829 1 829 . 1 1 72 72 ASN HB2 H 1 1.126 0.019 . 2 . . . . 327 ASN HB2 . 6829 1 830 . 1 1 72 72 ASN HB3 H 1 2.414 0.011 . 2 . . . . 327 ASN HB3 . 6829 1 831 . 1 1 72 72 ASN HD21 H 1 7.657 0.002 . 2 . . . . 327 ASN HD21 . 6829 1 832 . 1 1 72 72 ASN HD22 H 1 7.869 0.001 . 2 . . . . 327 ASN HD22 . 6829 1 833 . 1 1 72 72 ASN C C 13 175.06 0.003 . 1 . . . . 327 ASN C . 6829 1 834 . 1 1 72 72 ASN CA C 13 50.775 0.088 . 1 . . . . 327 ASN CA . 6829 1 835 . 1 1 72 72 ASN CB C 13 40.13 0.054 . 1 . . . . 327 ASN CB . 6829 1 836 . 1 1 72 72 ASN N N 15 122.766 0.036 . 1 . . . . 327 ASN N . 6829 1 837 . 1 1 72 72 ASN ND2 N 15 108.709 0.027 . 1 . . . . 327 ASN ND2 . 6829 1 838 . 1 1 73 73 LYS H H 1 8.043 0.005 . 1 . . . . 328 LYS H . 6829 1 839 . 1 1 73 73 LYS HA H 1 4.421 0.006 . 1 . . . . 328 LYS HA . 6829 1 840 . 1 1 73 73 LYS HB2 H 1 1.685 0.008 . 2 . . . . 328 LYS HB2 . 6829 1 841 . 1 1 73 73 LYS HB3 H 1 2.249 0.007 . 2 . . . . 328 LYS HB3 . 6829 1 842 . 1 1 73 73 LYS HG2 H 1 0.944 0.009 . 2 . . . . 328 LYS HG2 . 6829 1 843 . 1 1 73 73 LYS HG3 H 1 1.452 0.01 . 2 . . . . 328 LYS HG3 . 6829 1 844 . 1 1 73 73 LYS HD2 H 1 1.431 0.015 . 2 . . . . 328 LYS HD2 . 6829 1 845 . 1 1 73 73 LYS HE2 H 1 2.573 0.013 . 2 . . . . 328 LYS HE2 . 6829 1 846 . 1 1 73 73 LYS HE3 H 1 2.703 0.007 . 2 . . . . 328 LYS HE3 . 6829 1 847 . 1 1 73 73 LYS C C 13 174.923 0.009 . 1 . . . . 328 LYS C . 6829 1 848 . 1 1 73 73 LYS CA C 13 58.141 0.118 . 1 . . . . 328 LYS CA . 6829 1 849 . 1 1 73 73 LYS CB C 13 32.954 0.068 . 1 . . . . 328 LYS CB . 6829 1 850 . 1 1 73 73 LYS CG C 13 26.457 0.05 . 1 . . . . 328 LYS CG . 6829 1 851 . 1 1 73 73 LYS CD C 13 29.26 0.113 . 1 . . . . 328 LYS CD . 6829 1 852 . 1 1 73 73 LYS CE C 13 42.186 0.33 . 1 . . . . 328 LYS CE . 6829 1 853 . 1 1 73 73 LYS N N 15 115.886 0.042 . 1 . . . . 328 LYS N . 6829 1 854 . 1 1 74 74 GLY H H 1 8.455 0.009 . 1 . . . . 329 GLY H . 6829 1 855 . 1 1 74 74 GLY HA2 H 1 3.243 0.009 . 2 . . . . 329 GLY HA2 . 6829 1 856 . 1 1 74 74 GLY HA3 H 1 5.222 0.007 . 2 . . . . 329 GLY HA3 . 6829 1 857 . 1 1 74 74 GLY C C 13 172.76 0.08 . 1 . . . . 329 GLY C . 6829 1 858 . 1 1 74 74 GLY CA C 13 43.067 0.037 . 1 . . . . 329 GLY CA . 6829 1 859 . 1 1 74 74 GLY N N 15 105.079 0.04 . 1 . . . . 329 GLY N . 6829 1 860 . 1 1 75 75 PRO HA H 1 4.661 0.006 . 1 . . . . 330 PRO HA . 6829 1 861 . 1 1 75 75 PRO HB2 H 1 2.229 0.005 . 2 . . . . 330 PRO HB2 . 6829 1 862 . 1 1 75 75 PRO HB3 H 1 2.274 0.011 . 2 . . . . 330 PRO HB3 . 6829 1 863 . 1 1 75 75 PRO HG2 H 1 1.757 0.006 . 2 . . . . 330 PRO HG2 . 6829 1 864 . 1 1 75 75 PRO HG3 H 1 2.016 0.009 . 2 . . . . 330 PRO HG3 . 6829 1 865 . 1 1 75 75 PRO HD2 H 1 3.522 0.011 . 2 . . . . 330 PRO HD2 . 6829 1 866 . 1 1 75 75 PRO HD3 H 1 3.769 0.009 . 2 . . . . 330 PRO HD3 . 6829 1 867 . 1 1 75 75 PRO C C 13 175.719 0.008 . 1 . . . . 330 PRO C . 6829 1 868 . 1 1 75 75 PRO CA C 13 64.277 0.053 . 1 . . . . 330 PRO CA . 6829 1 869 . 1 1 75 75 PRO CB C 13 34.894 0.063 . 1 . . . . 330 PRO CB . 6829 1 870 . 1 1 75 75 PRO CG C 13 25.457 0.035 . 1 . . . . 330 PRO CG . 6829 1 871 . 1 1 75 75 PRO CD C 13 50.818 0.085 . 1 . . . . 330 PRO CD . 6829 1 872 . 1 1 76 76 THR H H 1 8.154 0.01 . 1 . . . . 331 THR H . 6829 1 873 . 1 1 76 76 THR HA H 1 5.403 0.007 . 1 . . . . 331 THR HA . 6829 1 874 . 1 1 76 76 THR HB H 1 4.083 0.006 . 1 . . . . 331 THR HB . 6829 1 875 . 1 1 76 76 THR HG21 H 1 1.206 0.009 . 1 . . . . 331 THR HG2 . 6829 1 876 . 1 1 76 76 THR HG22 H 1 1.206 0.009 . 1 . . . . 331 THR HG2 . 6829 1 877 . 1 1 76 76 THR HG23 H 1 1.206 0.009 . 1 . . . . 331 THR HG2 . 6829 1 878 . 1 1 76 76 THR C C 13 174.262 0.003 . 1 . . . . 331 THR C . 6829 1 879 . 1 1 76 76 THR CA C 13 61.244 0.064 . 1 . . . . 331 THR CA . 6829 1 880 . 1 1 76 76 THR CB C 13 69.284 0.161 . 1 . . . . 331 THR CB . 6829 1 881 . 1 1 76 76 THR CG2 C 13 21.909 0.081 . 1 . . . . 331 THR CG2 . 6829 1 882 . 1 1 76 76 THR N N 15 115.789 0.024 . 1 . . . . 331 THR N . 6829 1 883 . 1 1 77 77 ALA H H 1 8.844 0.006 . 1 . . . . 332 ALA H . 6829 1 884 . 1 1 77 77 ALA HA H 1 5.047 0.005 . 1 . . . . 332 ALA HA . 6829 1 885 . 1 1 77 77 ALA HB1 H 1 1.206 0.006 . 1 . . . . 332 ALA HB . 6829 1 886 . 1 1 77 77 ALA HB2 H 1 1.206 0.006 . 1 . . . . 332 ALA HB . 6829 1 887 . 1 1 77 77 ALA HB3 H 1 1.206 0.006 . 1 . . . . 332 ALA HB . 6829 1 888 . 1 1 77 77 ALA C C 13 175.719 0.08 . 1 . . . . 332 ALA C . 6829 1 889 . 1 1 77 77 ALA CA C 13 50.956 0.035 . 1 . . . . 332 ALA CA . 6829 1 890 . 1 1 77 77 ALA CB C 13 22.271 0.107 . 1 . . . . 332 ALA CB . 6829 1 891 . 1 1 77 77 ALA N N 15 131.305 0.05 . 1 . . . . 332 ALA N . 6829 1 892 . 1 1 78 78 THR H H 1 8.324 0.005 . 1 . . . . 333 THR H . 6829 1 893 . 1 1 78 78 THR HA H 1 5.699 0.005 . 1 . . . . 333 THR HA . 6829 1 894 . 1 1 78 78 THR HB H 1 4.294 0.007 . 1 . . . . 333 THR HB . 6829 1 895 . 1 1 78 78 THR HG21 H 1 1.301 0.006 . 1 . . . . 333 THR HG2 . 6829 1 896 . 1 1 78 78 THR HG22 H 1 1.301 0.006 . 1 . . . . 333 THR HG2 . 6829 1 897 . 1 1 78 78 THR HG23 H 1 1.301 0.006 . 1 . . . . 333 THR HG2 . 6829 1 898 . 1 1 78 78 THR C C 13 174.298 0.008 . 1 . . . . 333 THR C . 6829 1 899 . 1 1 78 78 THR CA C 13 59.085 0.056 . 1 . . . . 333 THR CA . 6829 1 900 . 1 1 78 78 THR CB C 13 71.797 0.154 . 1 . . . . 333 THR CB . 6829 1 901 . 1 1 78 78 THR CG2 C 13 21.774 0.047 . 1 . . . . 333 THR CG2 . 6829 1 902 . 1 1 78 78 THR N N 15 113.116 0.063 . 1 . . . . 333 THR N . 6829 1 903 . 1 1 79 79 PHE H H 1 9.105 0.006 . 1 . . . . 334 PHE H . 6829 1 904 . 1 1 79 79 PHE HA H 1 4.87 0.021 . 1 . . . . 334 PHE HA . 6829 1 905 . 1 1 79 79 PHE HB2 H 1 2.939 0.013 . 2 . . . . 334 PHE HB2 . 6829 1 906 . 1 1 79 79 PHE HB3 H 1 3.933 0.012 . 2 . . . . 334 PHE HB3 . 6829 1 907 . 1 1 79 79 PHE HD1 H 1 6.504 0.008 . 3 . . . . 334 PHE HD1 . 6829 1 908 . 1 1 79 79 PHE HE1 H 1 6.569 0.01 . 3 . . . . 334 PHE HE1 . 6829 1 909 . 1 1 79 79 PHE HZ H 1 6.461 0.006 . 1 . . . . 334 PHE HZ . 6829 1 910 . 1 1 79 79 PHE C C 13 170.844 0.015 . 1 . . . . 334 PHE C . 6829 1 911 . 1 1 79 79 PHE CA C 13 56.594 0.095 . 1 . . . . 334 PHE CA . 6829 1 912 . 1 1 79 79 PHE CB C 13 39.89 0.043 . 1 . . . . 334 PHE CB . 6829 1 913 . 1 1 79 79 PHE N N 15 123.044 0.068 . 1 . . . . 334 PHE N . 6829 1 914 . 1 1 80 80 GLY H H 1 6.775 0.006 . 1 . . . . 335 GLY H . 6829 1 915 . 1 1 80 80 GLY HA2 H 1 3.501 0.007 . 2 . . . . 335 GLY HA2 . 6829 1 916 . 1 1 80 80 GLY HA3 H 1 4.356 0.009 . 2 . . . . 335 GLY HA3 . 6829 1 917 . 1 1 80 80 GLY C C 13 169.408 0.008 . 1 . . . . 335 GLY C . 6829 1 918 . 1 1 80 80 GLY CA C 13 45.638 0.039 . 1 . . . . 335 GLY CA . 6829 1 919 . 1 1 80 80 GLY N N 15 108.092 0.06 . 1 . . . . 335 GLY N . 6829 1 920 . 1 1 81 81 PHE H H 1 7.721 0.007 . 1 . . . . 336 PHE H . 6829 1 921 . 1 1 81 81 PHE HA H 1 4.575 0.017 . 1 . . . . 336 PHE HA . 6829 1 922 . 1 1 81 81 PHE HB2 H 1 2.971 0.013 . 2 . . . . 336 PHE HB2 . 6829 1 923 . 1 1 81 81 PHE HB3 H 1 3.115 0.021 . 2 . . . . 336 PHE HB3 . 6829 1 924 . 1 1 81 81 PHE HD1 H 1 6.458 0.009 . 3 . . . . 336 PHE HD1 . 6829 1 925 . 1 1 81 81 PHE HE1 H 1 6.386 0.006 . 3 . . . . 336 PHE HE1 . 6829 1 926 . 1 1 81 81 PHE HZ H 1 6.363 0.007 . 1 . . . . 336 PHE HZ . 6829 1 927 . 1 1 81 81 PHE C C 13 172.222 0.002 . 1 . . . . 336 PHE C . 6829 1 928 . 1 1 81 81 PHE CA C 13 55.847 0.039 . 1 . . . . 336 PHE CA . 6829 1 929 . 1 1 81 81 PHE CB C 13 40.83 0.036 . 1 . . . . 336 PHE CB . 6829 1 930 . 1 1 81 81 PHE N N 15 110.249 0.035 . 1 . . . . 336 PHE N . 6829 1 931 . 1 1 82 82 ILE H H 1 8.939 0.007 . 1 . . . . 337 ILE H . 6829 1 932 . 1 1 82 82 ILE HA H 1 5.294 0.007 . 1 . . . . 337 ILE HA . 6829 1 933 . 1 1 82 82 ILE HB H 1 1.983 0.01 . 1 . . . . 337 ILE HB . 6829 1 934 . 1 1 82 82 ILE HG12 H 1 1.355 0.012 . 1 . . . . 337 ILE HG12 . 6829 1 935 . 1 1 82 82 ILE HG13 H 1 1.867 0.006 . 1 . . . . 337 ILE HG13 . 6829 1 936 . 1 1 82 82 ILE HG21 H 1 1.02 0.017 . 1 . . . . 337 ILE HG2 . 6829 1 937 . 1 1 82 82 ILE HG22 H 1 1.02 0.017 . 1 . . . . 337 ILE HG2 . 6829 1 938 . 1 1 82 82 ILE HG23 H 1 1.02 0.017 . 1 . . . . 337 ILE HG2 . 6829 1 939 . 1 1 82 82 ILE HD11 H 1 1.126 0.01 . 1 . . . . 337 ILE HD1 . 6829 1 940 . 1 1 82 82 ILE HD12 H 1 1.126 0.01 . 1 . . . . 337 ILE HD1 . 6829 1 941 . 1 1 82 82 ILE HD13 H 1 1.126 0.01 . 1 . . . . 337 ILE HD1 . 6829 1 942 . 1 1 82 82 ILE C C 13 176.201 0.004 . 1 . . . . 337 ILE C . 6829 1 943 . 1 1 82 82 ILE CA C 13 58.889 0.036 . 1 . . . . 337 ILE CA . 6829 1 944 . 1 1 82 82 ILE CB C 13 40.763 0.04 . 1 . . . . 337 ILE CB . 6829 1 945 . 1 1 82 82 ILE CG1 C 13 28.721 0.071 . 1 . . . . 337 ILE CG1 . 6829 1 946 . 1 1 82 82 ILE CG2 C 13 17.117 0.062 . 1 . . . . 337 ILE CG2 . 6829 1 947 . 1 1 82 82 ILE CD1 C 13 13.18 0.037 . 1 . . . . 337 ILE CD1 . 6829 1 948 . 1 1 82 82 ILE N N 15 120.806 0.032 . 1 . . . . 337 ILE N . 6829 1 949 . 1 1 83 83 VAL H H 1 9.264 0.007 . 1 . . . . 338 VAL H . 6829 1 950 . 1 1 83 83 VAL HA H 1 4.985 0.01 . 1 . . . . 338 VAL HA . 6829 1 951 . 1 1 83 83 VAL HB H 1 1.791 0.014 . 1 . . . . 338 VAL HB . 6829 1 952 . 1 1 83 83 VAL HG11 H 1 0.889 0.006 . 1 . . . . 338 VAL HG1 . 6829 1 953 . 1 1 83 83 VAL HG12 H 1 0.889 0.006 . 1 . . . . 338 VAL HG1 . 6829 1 954 . 1 1 83 83 VAL HG13 H 1 0.889 0.006 . 1 . . . . 338 VAL HG1 . 6829 1 955 . 1 1 83 83 VAL HG21 H 1 0.907 0.009 . 1 . . . . 338 VAL HG2 . 6829 1 956 . 1 1 83 83 VAL HG22 H 1 0.907 0.009 . 1 . . . . 338 VAL HG2 . 6829 1 957 . 1 1 83 83 VAL HG23 H 1 0.907 0.009 . 1 . . . . 338 VAL HG2 . 6829 1 958 . 1 1 83 83 VAL C C 13 174.51 0.008 . 1 . . . . 338 VAL C . 6829 1 959 . 1 1 83 83 VAL CA C 13 59.648 0.043 . 1 . . . . 338 VAL CA . 6829 1 960 . 1 1 83 83 VAL CB C 13 35.052 0.068 . 1 . . . . 338 VAL CB . 6829 1 961 . 1 1 83 83 VAL CG1 C 13 24.474 0.089 . 1 . . . . 338 VAL CG1 . 6829 1 962 . 1 1 83 83 VAL CG2 C 13 23.102 0.059 . 1 . . . . 338 VAL CG2 . 6829 1 963 . 1 1 83 83 VAL N N 15 125.556 0.031 . 1 . . . . 338 VAL N . 6829 1 964 . 1 1 84 84 ASN H H 1 9.073 0.007 . 1 . . . . 339 ASN H . 6829 1 965 . 1 1 84 84 ASN HA H 1 5.483 0.005 . 1 . . . . 339 ASN HA . 6829 1 966 . 1 1 84 84 ASN HB2 H 1 2.581 0.007 . 2 . . . . 339 ASN HB2 . 6829 1 967 . 1 1 84 84 ASN HB3 H 1 2.851 0.006 . 2 . . . . 339 ASN HB3 . 6829 1 968 . 1 1 84 84 ASN HD21 H 1 6.839 0.007 . 2 . . . . 339 ASN HD21 . 6829 1 969 . 1 1 84 84 ASN HD22 H 1 7.514 0.013 . 2 . . . . 339 ASN HD22 . 6829 1 970 . 1 1 84 84 ASN C C 13 174.715 0.011 . 1 . . . . 339 ASN C . 6829 1 971 . 1 1 84 84 ASN CA C 13 52.177 0.05 . 1 . . . . 339 ASN CA . 6829 1 972 . 1 1 84 84 ASN CB C 13 41.634 0.06 . 1 . . . . 339 ASN CB . 6829 1 973 . 1 1 84 84 ASN CG C 13 176.409 0.013 . 1 . . . . 339 ASN CG . 6829 1 974 . 1 1 84 84 ASN N N 15 123.95 0.065 . 1 . . . . 339 ASN N . 6829 1 975 . 1 1 84 84 ASN ND2 N 15 111.424 0.224 . 1 . . . . 339 ASN ND2 . 6829 1 976 . 1 1 85 85 GLY H H 1 8.046 0.006 . 1 . . . . 340 GLY H . 6829 1 977 . 1 1 85 85 GLY HA2 H 1 3.844 0.01 . 2 . . . . 340 GLY HA2 . 6829 1 978 . 1 1 85 85 GLY HA3 H 1 4.084 0.008 . 2 . . . . 340 GLY HA3 . 6829 1 979 . 1 1 85 85 GLY C C 13 168.646 0.08 . 1 . . . . 340 GLY C . 6829 1 980 . 1 1 85 85 GLY CA C 13 46.426 0.045 . 1 . . . . 340 GLY CA . 6829 1 981 . 1 1 85 85 GLY N N 15 107.714 0.045 . 1 . . . . 340 GLY N . 6829 1 982 . 1 1 86 86 PRO HA H 1 4.387 0.009 . 1 . . . . 341 PRO HA . 6829 1 983 . 1 1 86 86 PRO HB2 H 1 1.788 0.033 . 2 . . . . 341 PRO HB2 . 6829 1 984 . 1 1 86 86 PRO HB3 H 1 2.284 0.1 . 2 . . . . 341 PRO HB3 . 6829 1 985 . 1 1 86 86 PRO HG2 H 1 1.878 0.006 . 2 . . . . 341 PRO HG2 . 6829 1 986 . 1 1 86 86 PRO HG3 H 1 2.042 0.009 . 2 . . . . 341 PRO HG3 . 6829 1 987 . 1 1 86 86 PRO HD2 H 1 3.194 0.02 . 2 . . . . 341 PRO HD2 . 6829 1 988 . 1 1 86 86 PRO HD3 H 1 3.316 0.019 . 2 . . . . 341 PRO HD3 . 6829 1 989 . 1 1 86 86 PRO C C 13 175.421 0.002 . 1 . . . . 341 PRO C . 6829 1 990 . 1 1 86 86 PRO CA C 13 61.958 0.09 . 1 . . . . 341 PRO CA . 6829 1 991 . 1 1 86 86 PRO CB C 13 32.488 0.063 . 1 . . . . 341 PRO CB . 6829 1 992 . 1 1 86 86 PRO CG C 13 27.189 0.077 . 1 . . . . 341 PRO CG . 6829 1 993 . 1 1 86 86 PRO CD C 13 49.499 0.046 . 1 . . . . 341 PRO CD . 6829 1 994 . 1 1 87 87 GLN H H 1 8.051 0.01 . 1 . . . . 342 GLN H . 6829 1 995 . 1 1 87 87 GLN HA H 1 3.998 0.01 . 1 . . . . 342 GLN HA . 6829 1 996 . 1 1 87 87 GLN HB2 H 1 1.91 0.01 . 2 . . . . 342 GLN HB2 . 6829 1 997 . 1 1 87 87 GLN HG2 H 1 2.305 0.016 . 2 . . . . 342 GLN HG2 . 6829 1 998 . 1 1 87 87 GLN HG3 H 1 2.366 0.01 . 2 . . . . 342 GLN HG3 . 6829 1 999 . 1 1 87 87 GLN HE21 H 1 6.81 0.006 . 2 . . . . 342 GLN HE21 . 6829 1 1000 . 1 1 87 87 GLN HE22 H 1 7.48 0.008 . 2 . . . . 342 GLN HE22 . 6829 1 1001 . 1 1 87 87 GLN C C 13 176.114 0.08 . 1 . . . . 342 GLN C . 6829 1 1002 . 1 1 87 87 GLN CA C 13 57.49 0.05 . 1 . . . . 342 GLN CA . 6829 1 1003 . 1 1 87 87 GLN CB C 13 28.685 0.053 . 1 . . . . 342 GLN CB . 6829 1 1004 . 1 1 87 87 GLN CG C 13 33.734 0.045 . 1 . . . . 342 GLN CG . 6829 1 1005 . 1 1 87 87 GLN CD C 13 180.196 0.009 . 1 . . . . 342 GLN CD . 6829 1 1006 . 1 1 87 87 GLN N N 15 119.085 0.069 . 1 . . . . 342 GLN N . 6829 1 1007 . 1 1 87 87 GLN NE2 N 15 111.153 0.22 . 1 . . . . 342 GLN NE2 . 6829 1 1008 . 1 1 88 88 GLY H H 1 8.673 0.006 . 1 . . . . 343 GLY H . 6829 1 1009 . 1 1 88 88 GLY HA2 H 1 3.541 0.006 . 2 . . . . 343 GLY HA2 . 6829 1 1010 . 1 1 88 88 GLY HA3 H 1 4.356 0.004 . 2 . . . . 343 GLY HA3 . 6829 1 1011 . 1 1 88 88 GLY C C 13 173.235 0.002 . 1 . . . . 343 GLY C . 6829 1 1012 . 1 1 88 88 GLY CA C 13 42.654 0.062 . 1 . . . . 343 GLY CA . 6829 1 1013 . 1 1 88 88 GLY N N 15 112.1 0.026 . 1 . . . . 343 GLY N . 6829 1 1014 . 1 1 89 89 ASP H H 1 8.11 0.01 . 1 . . . . 344 ASP H . 6829 1 1015 . 1 1 89 89 ASP HA H 1 4.381 0.009 . 1 . . . . 344 ASP HA . 6829 1 1016 . 1 1 89 89 ASP HB2 H 1 2.461 0.032 . 2 . . . . 344 ASP HB2 . 6829 1 1017 . 1 1 89 89 ASP HB3 H 1 2.508 0.014 . 2 . . . . 344 ASP HB3 . 6829 1 1018 . 1 1 89 89 ASP C C 13 179.229 0.002 . 1 . . . . 344 ASP C . 6829 1 1019 . 1 1 89 89 ASP CA C 13 55.577 0.054 . 1 . . . . 344 ASP CA . 6829 1 1020 . 1 1 89 89 ASP CB C 13 40.228 0.025 . 1 . . . . 344 ASP CB . 6829 1 1021 . 1 1 89 89 ASP N N 15 117.754 0.043 . 1 . . . . 344 ASP N . 6829 1 1022 . 1 1 90 90 LYS H H 1 8.45 0.006 . 1 . . . . 345 LYS H . 6829 1 1023 . 1 1 90 90 LYS HA H 1 3.985 0.007 . 1 . . . . 345 LYS HA . 6829 1 1024 . 1 1 90 90 LYS HB2 H 1 1.672 0.01 . 2 . . . . 345 LYS HB2 . 6829 1 1025 . 1 1 90 90 LYS HB3 H 1 1.857 0.019 . 2 . . . . 345 LYS HB3 . 6829 1 1026 . 1 1 90 90 LYS HG2 H 1 1.27 0.017 . 2 . . . . 345 LYS HG2 . 6829 1 1027 . 1 1 90 90 LYS HG3 H 1 1.467 0.008 . 2 . . . . 345 LYS HG3 . 6829 1 1028 . 1 1 90 90 LYS HD2 H 1 1.032 0.01 . 2 . . . . 345 LYS HD2 . 6829 1 1029 . 1 1 90 90 LYS HD3 H 1 1.344 0.01 . 2 . . . . 345 LYS HD3 . 6829 1 1030 . 1 1 90 90 LYS HE2 H 1 2.588 0.009 . 2 . . . . 345 LYS HE2 . 6829 1 1031 . 1 1 90 90 LYS C C 13 174.7 0.004 . 1 . . . . 345 LYS C . 6829 1 1032 . 1 1 90 90 LYS CA C 13 57.191 0.051 . 1 . . . . 345 LYS CA . 6829 1 1033 . 1 1 90 90 LYS CB C 13 32.774 0.107 . 1 . . . . 345 LYS CB . 6829 1 1034 . 1 1 90 90 LYS CG C 13 25.205 0.047 . 1 . . . . 345 LYS CG . 6829 1 1035 . 1 1 90 90 LYS CD C 13 28.515 0.072 . 1 . . . . 345 LYS CD . 6829 1 1036 . 1 1 90 90 LYS CE C 13 41.956 0.105 . 1 . . . . 345 LYS CE . 6829 1 1037 . 1 1 90 90 LYS N N 15 122.372 0.045 . 1 . . . . 345 LYS N . 6829 1 1038 . 1 1 91 91 VAL H H 1 7.06 0.007 . 1 . . . . 346 VAL H . 6829 1 1039 . 1 1 91 91 VAL HA H 1 4.201 0.007 . 1 . . . . 346 VAL HA . 6829 1 1040 . 1 1 91 91 VAL HB H 1 1.607 0.006 . 1 . . . . 346 VAL HB . 6829 1 1041 . 1 1 91 91 VAL HG11 H 1 0.623 0.005 . 1 . . . . 346 VAL HG1 . 6829 1 1042 . 1 1 91 91 VAL HG12 H 1 0.623 0.005 . 1 . . . . 346 VAL HG1 . 6829 1 1043 . 1 1 91 91 VAL HG13 H 1 0.623 0.005 . 1 . . . . 346 VAL HG1 . 6829 1 1044 . 1 1 91 91 VAL HG21 H 1 0.196 0.009 . 1 . . . . 346 VAL HG2 . 6829 1 1045 . 1 1 91 91 VAL HG22 H 1 0.196 0.009 . 1 . . . . 346 VAL HG2 . 6829 1 1046 . 1 1 91 91 VAL HG23 H 1 0.196 0.009 . 1 . . . . 346 VAL HG2 . 6829 1 1047 . 1 1 91 91 VAL C C 13 175.251 0.003 . 1 . . . . 346 VAL C . 6829 1 1048 . 1 1 91 91 VAL CA C 13 60.648 0.065 . 1 . . . . 346 VAL CA . 6829 1 1049 . 1 1 91 91 VAL CB C 13 35.439 0.081 . 1 . . . . 346 VAL CB . 6829 1 1050 . 1 1 91 91 VAL CG1 C 13 22.551 0.115 . 1 . . . . 346 VAL CG1 . 6829 1 1051 . 1 1 91 91 VAL CG2 C 13 21.728 0.061 . 1 . . . . 346 VAL CG2 . 6829 1 1052 . 1 1 91 91 VAL N N 15 116.115 0.047 . 1 . . . . 346 VAL N . 6829 1 1053 . 1 1 92 92 GLU H H 1 8.838 0.007 . 1 . . . . 347 GLU H . 6829 1 1054 . 1 1 92 92 GLU HA H 1 4.295 0.008 . 1 . . . . 347 GLU HA . 6829 1 1055 . 1 1 92 92 GLU HB2 H 1 1.496 0.005 . 2 . . . . 347 GLU HB2 . 6829 1 1056 . 1 1 92 92 GLU HB3 H 1 1.969 0.015 . 2 . . . . 347 GLU HB3 . 6829 1 1057 . 1 1 92 92 GLU HG2 H 1 1.957 0.002 . 2 . . . . 347 GLU HG2 . 6829 1 1058 . 1 1 92 92 GLU HG3 H 1 2.077 0.007 . 2 . . . . 347 GLU HG3 . 6829 1 1059 . 1 1 92 92 GLU C C 13 176.135 0.011 . 1 . . . . 347 GLU C . 6829 1 1060 . 1 1 92 92 GLU CA C 13 56.98 0.044 . 1 . . . . 347 GLU CA . 6829 1 1061 . 1 1 92 92 GLU CB C 13 31.384 0.108 . 1 . . . . 347 GLU CB . 6829 1 1062 . 1 1 92 92 GLU CG C 13 35.369 0.078 . 1 . . . . 347 GLU CG . 6829 1 1063 . 1 1 92 92 GLU N N 15 123.918 0.041 . 1 . . . . 347 GLU N . 6829 1 1064 . 1 1 93 93 GLU H H 1 7.221 0.007 . 1 . . . . 348 GLU H . 6829 1 1065 . 1 1 93 93 GLU HA H 1 4.611 0.008 . 1 . . . . 348 GLU HA . 6829 1 1066 . 1 1 93 93 GLU HB2 H 1 1.949 0.009 . 2 . . . . 348 GLU HB2 . 6829 1 1067 . 1 1 93 93 GLU HG2 H 1 2.138 0.01 . 2 . . . . 348 GLU HG2 . 6829 1 1068 . 1 1 93 93 GLU C C 13 173.802 0.002 . 1 . . . . 348 GLU C . 6829 1 1069 . 1 1 93 93 GLU CA C 13 55.938 0.066 . 1 . . . . 348 GLU CA . 6829 1 1070 . 1 1 93 93 GLU CB C 13 34.013 0.098 . 1 . . . . 348 GLU CB . 6829 1 1071 . 1 1 93 93 GLU CG C 13 36.096 0.077 . 1 . . . . 348 GLU CG . 6829 1 1072 . 1 1 93 93 GLU N N 15 116.549 0.019 . 1 . . . . 348 GLU N . 6829 1 1073 . 1 1 94 94 ILE H H 1 8.433 0.009 . 1 . . . . 349 ILE H . 6829 1 1074 . 1 1 94 94 ILE HA H 1 4.975 0.006 . 1 . . . . 349 ILE HA . 6829 1 1075 . 1 1 94 94 ILE HB H 1 1.605 0.012 . 1 . . . . 349 ILE HB . 6829 1 1076 . 1 1 94 94 ILE HG12 H 1 0.879 0.013 . 1 . . . . 349 ILE HG12 . 6829 1 1077 . 1 1 94 94 ILE HG13 H 1 1.551 0.006 . 1 . . . . 349 ILE HG13 . 6829 1 1078 . 1 1 94 94 ILE HG21 H 1 0.747 0.007 . 1 . . . . 349 ILE HG2 . 6829 1 1079 . 1 1 94 94 ILE HG22 H 1 0.747 0.007 . 1 . . . . 349 ILE HG2 . 6829 1 1080 . 1 1 94 94 ILE HG23 H 1 0.747 0.007 . 1 . . . . 349 ILE HG2 . 6829 1 1081 . 1 1 94 94 ILE HD11 H 1 0.788 0.006 . 1 . . . . 349 ILE HD1 . 6829 1 1082 . 1 1 94 94 ILE HD12 H 1 0.788 0.006 . 1 . . . . 349 ILE HD1 . 6829 1 1083 . 1 1 94 94 ILE HD13 H 1 0.788 0.006 . 1 . . . . 349 ILE HD1 . 6829 1 1084 . 1 1 94 94 ILE C C 13 174.444 0.004 . 1 . . . . 349 ILE C . 6829 1 1085 . 1 1 94 94 ILE CA C 13 61.358 0.064 . 1 . . . . 349 ILE CA . 6829 1 1086 . 1 1 94 94 ILE CB C 13 40.812 0.091 . 1 . . . . 349 ILE CB . 6829 1 1087 . 1 1 94 94 ILE CG1 C 13 28.689 0.103 . 1 . . . . 349 ILE CG1 . 6829 1 1088 . 1 1 94 94 ILE CG2 C 13 17.441 0.095 . 1 . . . . 349 ILE CG2 . 6829 1 1089 . 1 1 94 94 ILE CD1 C 13 13.983 0.044 . 1 . . . . 349 ILE CD1 . 6829 1 1090 . 1 1 94 94 ILE N N 15 124.711 0.028 . 1 . . . . 349 ILE N . 6829 1 1091 . 1 1 95 95 THR H H 1 8.931 0.006 . 1 . . . . 350 THR H . 6829 1 1092 . 1 1 95 95 THR HA H 1 4.657 0.017 . 1 . . . . 350 THR HA . 6829 1 1093 . 1 1 95 95 THR HB H 1 3.943 0.021 . 1 . . . . 350 THR HB . 6829 1 1094 . 1 1 95 95 THR HG21 H 1 1.117 0.01 . 1 . . . . 350 THR HG2 . 6829 1 1095 . 1 1 95 95 THR HG22 H 1 1.117 0.01 . 1 . . . . 350 THR HG2 . 6829 1 1096 . 1 1 95 95 THR HG23 H 1 1.117 0.01 . 1 . . . . 350 THR HG2 . 6829 1 1097 . 1 1 95 95 THR C C 13 172.039 0.011 . 1 . . . . 350 THR C . 6829 1 1098 . 1 1 95 95 THR CA C 13 60.385 0.137 . 1 . . . . 350 THR CA . 6829 1 1099 . 1 1 95 95 THR CB C 13 72.338 0.228 . 1 . . . . 350 THR CB . 6829 1 1100 . 1 1 95 95 THR CG2 C 13 22.577 0.058 . 1 . . . . 350 THR CG2 . 6829 1 1101 . 1 1 95 95 THR N N 15 120.004 0.095 . 1 . . . . 350 THR N . 6829 1 1102 . 1 1 96 96 LEU H H 1 8.858 0.009 . 1 . . . . 351 LEU H . 6829 1 1103 . 1 1 96 96 LEU HA H 1 5.057 0.007 . 1 . . . . 351 LEU HA . 6829 1 1104 . 1 1 96 96 LEU HB2 H 1 1.19 0.009 . 2 . . . . 351 LEU HB2 . 6829 1 1105 . 1 1 96 96 LEU HB3 H 1 1.906 0.01 . 2 . . . . 351 LEU HB3 . 6829 1 1106 . 1 1 96 96 LEU HG H 1 1.286 0.015 . 1 . . . . 351 LEU HG . 6829 1 1107 . 1 1 96 96 LEU HD11 H 1 0.875 0.006 . 1 . . . . 351 LEU HD1 . 6829 1 1108 . 1 1 96 96 LEU HD12 H 1 0.875 0.006 . 1 . . . . 351 LEU HD1 . 6829 1 1109 . 1 1 96 96 LEU HD13 H 1 0.875 0.006 . 1 . . . . 351 LEU HD1 . 6829 1 1110 . 1 1 96 96 LEU HD21 H 1 0.637 0.009 . 1 . . . . 351 LEU HD2 . 6829 1 1111 . 1 1 96 96 LEU HD22 H 1 0.637 0.009 . 1 . . . . 351 LEU HD2 . 6829 1 1112 . 1 1 96 96 LEU HD23 H 1 0.637 0.009 . 1 . . . . 351 LEU HD2 . 6829 1 1113 . 1 1 96 96 LEU C C 13 174.035 0.009 . 1 . . . . 351 LEU C . 6829 1 1114 . 1 1 96 96 LEU CA C 13 53.704 0.057 . 1 . . . . 351 LEU CA . 6829 1 1115 . 1 1 96 96 LEU CB C 13 44.823 0.086 . 1 . . . . 351 LEU CB . 6829 1 1116 . 1 1 96 96 LEU CG C 13 27.919 0.07 . 1 . . . . 351 LEU CG . 6829 1 1117 . 1 1 96 96 LEU CD1 C 13 24.174 0.072 . 1 . . . . 351 LEU CD1 . 6829 1 1118 . 1 1 96 96 LEU CD2 C 13 26.258 0.088 . 1 . . . . 351 LEU CD2 . 6829 1 1119 . 1 1 96 96 LEU N N 15 126.455 0.075 . 1 . . . . 351 LEU N . 6829 1 1120 . 1 1 97 97 GLU H H 1 9.21 0.007 . 1 . . . . 352 GLU H . 6829 1 1121 . 1 1 97 97 GLU HA H 1 5.055 0.007 . 1 . . . . 352 GLU HA . 6829 1 1122 . 1 1 97 97 GLU HB2 H 1 1.696 0.006 . 2 . . . . 352 GLU HB2 . 6829 1 1123 . 1 1 97 97 GLU HG2 H 1 1.927 0.006 . 2 . . . . 352 GLU HG2 . 6829 1 1124 . 1 1 97 97 GLU C C 13 175.427 0.005 . 1 . . . . 352 GLU C . 6829 1 1125 . 1 1 97 97 GLU CA C 13 54.444 0.042 . 1 . . . . 352 GLU CA . 6829 1 1126 . 1 1 97 97 GLU CB C 13 33.273 0.051 . 1 . . . . 352 GLU CB . 6829 1 1127 . 1 1 97 97 GLU CG C 13 35.931 0.084 . 1 . . . . 352 GLU CG . 6829 1 1128 . 1 1 97 97 GLU N N 15 125.531 0.038 . 1 . . . . 352 GLU N . 6829 1 1129 . 1 1 98 98 ILE H H 1 8.465 0.006 . 1 . . . . 353 ILE H . 6829 1 1130 . 1 1 98 98 ILE HA H 1 4.219 0.009 . 1 . . . . 353 ILE HA . 6829 1 1131 . 1 1 98 98 ILE HB H 1 1.493 0.008 . 1 . . . . 353 ILE HB . 6829 1 1132 . 1 1 98 98 ILE HG12 H 1 0.858 0.018 . 1 . . . . 353 ILE HG12 . 6829 1 1133 . 1 1 98 98 ILE HG13 H 1 1.335 0.012 . 1 . . . . 353 ILE HG13 . 6829 1 1134 . 1 1 98 98 ILE HG21 H 1 0.549 0.013 . 1 . . . . 353 ILE HG2 . 6829 1 1135 . 1 1 98 98 ILE HG22 H 1 0.549 0.013 . 1 . . . . 353 ILE HG2 . 6829 1 1136 . 1 1 98 98 ILE HG23 H 1 0.549 0.013 . 1 . . . . 353 ILE HG2 . 6829 1 1137 . 1 1 98 98 ILE HD11 H 1 0.488 0.016 . 1 . . . . 353 ILE HD1 . 6829 1 1138 . 1 1 98 98 ILE HD12 H 1 0.488 0.016 . 1 . . . . 353 ILE HD1 . 6829 1 1139 . 1 1 98 98 ILE HD13 H 1 0.488 0.016 . 1 . . . . 353 ILE HD1 . 6829 1 1140 . 1 1 98 98 ILE C C 13 175.743 0.011 . 1 . . . . 353 ILE C . 6829 1 1141 . 1 1 98 98 ILE CA C 13 60.536 0.054 . 1 . . . . 353 ILE CA . 6829 1 1142 . 1 1 98 98 ILE CB C 13 40.283 0.073 . 1 . . . . 353 ILE CB . 6829 1 1143 . 1 1 98 98 ILE CG1 C 13 27.471 0.1 . 1 . . . . 353 ILE CG1 . 6829 1 1144 . 1 1 98 98 ILE CG2 C 13 18.143 0.072 . 1 . . . . 353 ILE CG2 . 6829 1 1145 . 1 1 98 98 ILE CD1 C 13 13.293 0.028 . 1 . . . . 353 ILE CD1 . 6829 1 1146 . 1 1 98 98 ILE N N 15 121.257 0.031 . 1 . . . . 353 ILE N . 6829 1 1147 . 1 1 99 99 ASN H H 1 9.068 0.01 . 1 . . . . 354 ASN H . 6829 1 1148 . 1 1 99 99 ASN HA H 1 4.509 0.005 . 1 . . . . 354 ASN HA . 6829 1 1149 . 1 1 99 99 ASN HB2 H 1 2.721 0.006 . 2 . . . . 354 ASN HB2 . 6829 1 1150 . 1 1 99 99 ASN HB3 H 1 3.012 0.004 . 2 . . . . 354 ASN HB3 . 6829 1 1151 . 1 1 99 99 ASN HD21 H 1 6.929 0.007 . 2 . . . . 354 ASN HD21 . 6829 1 1152 . 1 1 99 99 ASN HD22 H 1 7.587 0.007 . 2 . . . . 354 ASN HD22 . 6829 1 1153 . 1 1 99 99 ASN C C 13 175.394 0.004 . 1 . . . . 354 ASN C . 6829 1 1154 . 1 1 99 99 ASN CA C 13 53.797 0.085 . 1 . . . . 354 ASN CA . 6829 1 1155 . 1 1 99 99 ASN CB C 13 37.747 0.09 . 1 . . . . 354 ASN CB . 6829 1 1156 . 1 1 99 99 ASN CG C 13 177.486 0.005 . 1 . . . . 354 ASN CG . 6829 1 1157 . 1 1 99 99 ASN N N 15 125.4 0.054 . 1 . . . . 354 ASN N . 6829 1 1158 . 1 1 99 99 ASN ND2 N 15 111.953 0.25 . 1 . . . . 354 ASN ND2 . 6829 1 1159 . 1 1 100 100 GLY H H 1 8.565 0.01 . 1 . . . . 355 GLY H . 6829 1 1160 . 1 1 100 100 GLY HA2 H 1 3.72 0.006 . 2 . . . . 355 GLY HA2 . 6829 1 1161 . 1 1 100 100 GLY HA3 H 1 3.994 0.01 . 2 . . . . 355 GLY HA3 . 6829 1 1162 . 1 1 100 100 GLY C C 13 173.382 0.004 . 1 . . . . 355 GLY C . 6829 1 1163 . 1 1 100 100 GLY CA C 13 45.284 0.11 . 1 . . . . 355 GLY CA . 6829 1 1164 . 1 1 100 100 GLY N N 15 105.309 0.058 . 1 . . . . 355 GLY N . 6829 1 1165 . 1 1 101 101 GLN H H 1 7.906 0.006 . 1 . . . . 356 GLN H . 6829 1 1166 . 1 1 101 101 GLN HA H 1 4.465 0.004 . 1 . . . . 356 GLN HA . 6829 1 1167 . 1 1 101 101 GLN HB2 H 1 1.914 0.01 . 2 . . . . 356 GLN HB2 . 6829 1 1168 . 1 1 101 101 GLN HB3 H 1 2.028 0.008 . 2 . . . . 356 GLN HB3 . 6829 1 1169 . 1 1 101 101 GLN HG2 H 1 2.237 0.005 . 2 . . . . 356 GLN HG2 . 6829 1 1170 . 1 1 101 101 GLN HE21 H 1 6.821 0.006 . 2 . . . . 356 GLN HE21 . 6829 1 1171 . 1 1 101 101 GLN HE22 H 1 7.464 0.007 . 2 . . . . 356 GLN HE22 . 6829 1 1172 . 1 1 101 101 GLN C C 13 174.827 0.001 . 1 . . . . 356 GLN C . 6829 1 1173 . 1 1 101 101 GLN CA C 13 54.45 0.052 . 1 . . . . 356 GLN CA . 6829 1 1174 . 1 1 101 101 GLN CB C 13 30.56 0.091 . 1 . . . . 356 GLN CB . 6829 1 1175 . 1 1 101 101 GLN CG C 13 33.551 0.087 . 1 . . . . 356 GLN CG . 6829 1 1176 . 1 1 101 101 GLN CD C 13 180.431 0.016 . 1 . . . . 356 GLN CD . 6829 1 1177 . 1 1 101 101 GLN N N 15 120.079 0.028 . 1 . . . . 356 GLN N . 6829 1 1178 . 1 1 101 101 GLN NE2 N 15 111.888 0.265 . 1 . . . . 356 GLN NE2 . 6829 1 1179 . 1 1 102 102 VAL H H 1 8.274 0.009 . 1 . . . . 357 VAL H . 6829 1 1180 . 1 1 102 102 VAL HA H 1 4.224 0.006 . 1 . . . . 357 VAL HA . 6829 1 1181 . 1 1 102 102 VAL HB H 1 1.92 0.004 . 1 . . . . 357 VAL HB . 6829 1 1182 . 1 1 102 102 VAL HG11 H 1 0.911 0.016 . 1 . . . . 357 VAL HG1 . 6829 1 1183 . 1 1 102 102 VAL HG12 H 1 0.911 0.016 . 1 . . . . 357 VAL HG1 . 6829 1 1184 . 1 1 102 102 VAL HG13 H 1 0.911 0.016 . 1 . . . . 357 VAL HG1 . 6829 1 1185 . 1 1 102 102 VAL HG21 H 1 0.894 0.005 . 1 . . . . 357 VAL HG2 . 6829 1 1186 . 1 1 102 102 VAL HG22 H 1 0.894 0.005 . 1 . . . . 357 VAL HG2 . 6829 1 1187 . 1 1 102 102 VAL HG23 H 1 0.894 0.005 . 1 . . . . 357 VAL HG2 . 6829 1 1188 . 1 1 102 102 VAL C C 13 175.549 0.003 . 1 . . . . 357 VAL C . 6829 1 1189 . 1 1 102 102 VAL CA C 13 62.865 0.087 . 1 . . . . 357 VAL CA . 6829 1 1190 . 1 1 102 102 VAL CB C 13 32.241 0.048 . 1 . . . . 357 VAL CB . 6829 1 1191 . 1 1 102 102 VAL CG1 C 13 21.217 0.153 . 1 . . . . 357 VAL CG1 . 6829 1 1192 . 1 1 102 102 VAL CG2 C 13 21.499 0.073 . 1 . . . . 357 VAL CG2 . 6829 1 1193 . 1 1 102 102 VAL N N 15 124.369 0.033 . 1 . . . . 357 VAL N . 6829 1 1194 . 1 1 103 103 ILE H H 1 8.113 0.008 . 1 . . . . 358 ILE H . 6829 1 1195 . 1 1 103 103 ILE HA H 1 4.052 0.005 . 1 . . . . 358 ILE HA . 6829 1 1196 . 1 1 103 103 ILE HB H 1 1.72 0.007 . 1 . . . . 358 ILE HB . 6829 1 1197 . 1 1 103 103 ILE HG12 H 1 1.168 0.007 . 1 . . . . 358 ILE HG12 . 6829 1 1198 . 1 1 103 103 ILE HG13 H 1 1.215 0.005 . 1 . . . . 358 ILE HG13 . 6829 1 1199 . 1 1 103 103 ILE HG21 H 1 0.796 0.005 . 1 . . . . 358 ILE HG2 . 6829 1 1200 . 1 1 103 103 ILE HG22 H 1 0.796 0.005 . 1 . . . . 358 ILE HG2 . 6829 1 1201 . 1 1 103 103 ILE HG23 H 1 0.796 0.005 . 1 . . . . 358 ILE HG2 . 6829 1 1202 . 1 1 103 103 ILE HD11 H 1 0.651 0.006 . 1 . . . . 358 ILE HD1 . 6829 1 1203 . 1 1 103 103 ILE HD12 H 1 0.651 0.006 . 1 . . . . 358 ILE HD1 . 6829 1 1204 . 1 1 103 103 ILE HD13 H 1 0.651 0.006 . 1 . . . . 358 ILE HD1 . 6829 1 1205 . 1 1 103 103 ILE C C 13 180.783 0.08 . 1 . . . . 358 ILE C . 6829 1 1206 . 1 1 103 103 ILE CA C 13 61.903 0.028 . 1 . . . . 358 ILE CA . 6829 1 1207 . 1 1 103 103 ILE CB C 13 38.778 0.068 . 1 . . . . 358 ILE CB . 6829 1 1208 . 1 1 103 103 ILE CG1 C 13 27.358 0.06 . 1 . . . . 358 ILE CG1 . 6829 1 1209 . 1 1 103 103 ILE CG2 C 13 17.967 0.056 . 1 . . . . 358 ILE CG2 . 6829 1 1210 . 1 1 103 103 ILE CD1 C 13 12.213 0.036 . 1 . . . . 358 ILE CD1 . 6829 1 1211 . 1 1 103 103 ILE N N 15 132.142 0.059 . 1 . . . . 358 ILE N . 6829 1 stop_ save_