data_18677 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18677 _Entry.Title ; 1H, 13C and 15N Assignments of the RING domain in ubiquitin ligase gp78 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-27 _Entry.Accession_date 2012-08-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ranabir Das . . . 18677 2 Yuhe Linag . . . 18677 3 Jennifer Mariano . . . 18677 4 Jess Li . . . 18677 5 Tao Huang . . . 18677 6 Aaren King . . . 18677 7 Allan Weissman . . . 18677 8 Xinhua Ji . . . 18677 9 'R. Andrew' Byrd . . . 18677 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18677 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ligase . 18677 'RING domain' . 18677 ubiquitin . 18677 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18677 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 18677 '15N chemical shifts' 70 18677 '1H chemical shifts' 352 18677 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 . . 2014-02-19 2012-08-27 update BMRB 'update entry citation' 18677 1 . . 2013-08-26 2012-08-27 original author 'original release' 18677 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LXH 'BMRB Entry Tracking System' 18677 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18677 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23942235 _Citation.Full_citation . _Citation.Title 'Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 32 _Citation.Journal_issue 18 _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 2504 _Citation.Page_last 2516 _Citation.Year 2013 _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 Ranabir Das . . . 18677 1 2 Yu-He Liang . . . 18677 1 3 Jennifer Mariano . . . 18677 1 4 Jess Li . . . 18677 1 5 Tao Huang . . . 18677 1 6 Aaren King . . . 18677 1 7 Sergey Tarasov . G. . 18677 1 8 Allan Weissman . M. . 18677 1 9 Xinhua Ji . . . 18677 1 10 'R. Andrew' Byrd . . . 18677 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18677 _Assembly.ID 1 _Assembly.Name 'RING domain in ubiquitin ligase gp78' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING domain in ubiquitin ligase gp78' 1 $gp78RING A . yes native no no . . . 18677 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 18677 1 3 'ZINC ION_2' 2 $entity_ZN B . no native no no . . . 18677 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gp78RING _Entity.Sf_category entity _Entity.Sf_framecode gp78RING _Entity.Entry_ID 18677 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gp78RING _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AVATPEELAVNNDDCAICWD SMQAARKLPCGHLFHNSCLR SWLEQDTSCPTCRMSLNI ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6473.385 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LXH . "Nmr Structure Of The Ring Domain In Ubiquitin Ligase Gp78" . . . . . 100.00 81 100.00 100.00 1.62e-34 . . . . 18677 1 2 no PDB 2LXP . "Nmr Structure Of Two Domains In Ubiquitin Ligase Gp78, Ring And G2br, Bound To Its Conjugating Enzyme Ube2g" . . . . . 100.00 58 100.00 100.00 4.89e-34 . . . . 18677 1 3 no PDB 4LAD . "Crystal Structure Of The Ube2g2:ring-g2br Complex" . . . . . 100.00 150 100.00 100.00 1.61e-36 . . . . 18677 1 4 no DBJ BAE01277 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 552 100.00 100.00 7.30e-33 . . . . 18677 1 5 no DBJ BAE34049 . "unnamed protein product [Mus musculus]" . . . . . 100.00 643 100.00 100.00 2.10e-32 . . . . 18677 1 6 no DBJ BAE41974 . "unnamed protein product [Mus musculus]" . . . . . 100.00 639 100.00 100.00 2.14e-32 . . . . 18677 1 7 no DBJ BAE87377 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 291 100.00 100.00 3.31e-33 . . . . 18677 1 8 no DBJ BAK63135 . "autocrine motility factor receptor, isoform 2 [Pan troglodytes]" . . . . . 100.00 548 100.00 100.00 5.35e-33 . . . . 18677 1 9 no GB AAD56721 . "autocrine motility factor receptor [Mus musculus]" . . . . . 100.00 643 100.00 100.00 2.01e-32 . . . . 18677 1 10 no GB AAD56722 . "autocrine motility factor receptor [Homo sapiens]" . . . . . 100.00 643 100.00 100.00 1.99e-32 . . . . 18677 1 11 no GB AAH17043 . "AMFR protein, partial [Homo sapiens]" . . . . . 56.90 292 100.00 100.00 2.16e-15 . . . . 18677 1 12 no GB AAH34538 . "Autocrine motility factor receptor [Mus musculus]" . . . . . 100.00 639 100.00 100.00 2.14e-32 . . . . 18677 1 13 no GB AAH40338 . "Autocrine motility factor receptor [Mus musculus]" . . . . . 100.00 639 100.00 100.00 2.14e-32 . . . . 18677 1 14 no REF NP_001039439 . "E3 ubiquitin-protein ligase AMFR [Bos taurus]" . . . . . 100.00 645 100.00 100.00 2.74e-32 . . . . 18677 1 15 no REF NP_001135 . "E3 ubiquitin-protein ligase AMFR [Homo sapiens]" . . . . . 100.00 643 100.00 100.00 1.87e-32 . . . . 18677 1 16 no REF NP_001267243 . "E3 ubiquitin-protein ligase AMFR [Pan troglodytes]" . . . . . 100.00 548 100.00 100.00 5.35e-33 . . . . 18677 1 17 no REF NP_035917 . "E3 ubiquitin-protein ligase AMFR [Mus musculus]" . . . . . 100.00 639 100.00 100.00 2.14e-32 . . . . 18677 1 18 no REF XP_001091030 . "PREDICTED: autocrine motility factor receptor, isoform 2 [Macaca mulatta]" . . . . . 100.00 552 100.00 100.00 8.00e-33 . . . . 18677 1 19 no SP Q9R049 . "RecName: Full=E3 ubiquitin-protein ligase AMFR; AltName: Full=Autocrine motility factor receptor; Short=AMF receptor" . . . . . 100.00 643 100.00 100.00 2.10e-32 . . . . 18677 1 20 no SP Q9UKV5 . "RecName: Full=E3 ubiquitin-protein ligase AMFR; AltName: Full=Autocrine motility factor receptor; Short=AMF receptor; AltName: " . . . . . 100.00 643 100.00 100.00 1.87e-32 . . . . 18677 1 21 no TPG DAA20037 . "TPA: autocrine motility factor receptor [Bos taurus]" . . . . . 100.00 590 100.00 100.00 1.86e-32 . . . . 18677 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 1 327 ALA . 18677 1 2 328 VAL . 18677 1 3 329 ALA . 18677 1 4 330 THR . 18677 1 5 331 PRO . 18677 1 6 332 GLU . 18677 1 7 333 GLU . 18677 1 8 334 LEU . 18677 1 9 335 ALA . 18677 1 10 336 VAL . 18677 1 11 337 ASN . 18677 1 12 338 ASN . 18677 1 13 339 ASP . 18677 1 14 340 ASP . 18677 1 15 341 CYS . 18677 1 16 342 ALA . 18677 1 17 343 ILE . 18677 1 18 344 CYS . 18677 1 19 345 TRP . 18677 1 20 346 ASP . 18677 1 21 347 SER . 18677 1 22 348 MET . 18677 1 23 349 GLN . 18677 1 24 350 ALA . 18677 1 25 351 ALA . 18677 1 26 352 ARG . 18677 1 27 353 LYS . 18677 1 28 354 LEU . 18677 1 29 355 PRO . 18677 1 30 356 CYS . 18677 1 31 357 GLY . 18677 1 32 358 HIS . 18677 1 33 359 LEU . 18677 1 34 360 PHE . 18677 1 35 361 HIS . 18677 1 36 362 ASN . 18677 1 37 363 SER . 18677 1 38 364 CYS . 18677 1 39 365 LEU . 18677 1 40 366 ARG . 18677 1 41 367 SER . 18677 1 42 368 TRP . 18677 1 43 369 LEU . 18677 1 44 370 GLU . 18677 1 45 371 GLN . 18677 1 46 372 ASP . 18677 1 47 373 THR . 18677 1 48 374 SER . 18677 1 49 375 CYS . 18677 1 50 376 PRO . 18677 1 51 377 THR . 18677 1 52 378 CYS . 18677 1 53 379 ARG . 18677 1 54 380 MET . 18677 1 55 381 SER . 18677 1 56 382 LEU . 18677 1 57 383 ASN . 18677 1 58 384 ILE . 18677 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 . ALA 1 1 18677 1 . VAL 2 2 18677 1 . ALA 3 3 18677 1 . THR 4 4 18677 1 . PRO 5 5 18677 1 . GLU 6 6 18677 1 . GLU 7 7 18677 1 . LEU 8 8 18677 1 . ALA 9 9 18677 1 . VAL 10 10 18677 1 . ASN 11 11 18677 1 . ASN 12 12 18677 1 . ASP 13 13 18677 1 . ASP 14 14 18677 1 . CYS 15 15 18677 1 . ALA 16 16 18677 1 . ILE 17 17 18677 1 . CYS 18 18 18677 1 . TRP 19 19 18677 1 . ASP 20 20 18677 1 . SER 21 21 18677 1 . MET 22 22 18677 1 . GLN 23 23 18677 1 . ALA 24 24 18677 1 . ALA 25 25 18677 1 . ARG 26 26 18677 1 . LYS 27 27 18677 1 . LEU 28 28 18677 1 . PRO 29 29 18677 1 . CYS 30 30 18677 1 . GLY 31 31 18677 1 . HIS 32 32 18677 1 . LEU 33 33 18677 1 . PHE 34 34 18677 1 . HIS 35 35 18677 1 . ASN 36 36 18677 1 . SER 37 37 18677 1 . CYS 38 38 18677 1 . LEU 39 39 18677 1 . ARG 40 40 18677 1 . SER 41 41 18677 1 . TRP 42 42 18677 1 . LEU 43 43 18677 1 . GLU 44 44 18677 1 . GLN 45 45 18677 1 . ASP 46 46 18677 1 . THR 47 47 18677 1 . SER 48 48 18677 1 . CYS 49 49 18677 1 . PRO 50 50 18677 1 . THR 51 51 18677 1 . CYS 52 52 18677 1 . ARG 53 53 18677 1 . MET 54 54 18677 1 . SER 55 55 18677 1 . LEU 56 56 18677 1 . ASN 57 57 18677 1 . ILE 58 58 18677 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18677 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18677 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18677 2 ZN 'Three letter code' 18677 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 18677 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18677 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18677 _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 $gp78RING . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18677 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 18677 _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 $gp78RING . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3a . . . . . . 18677 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18677 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18677 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18677 ZN [Zn++] SMILES CACTVS 3.341 18677 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18677 ZN [Zn+2] SMILES ACDLabs 10.04 18677 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18677 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18677 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18677 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18677 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18677 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18677 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 gp78RING '[U-100% 13C; U-100% 15N]' . . 1 $gp78RING . . . 0.7 1 mM . . . . 18677 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 18677 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 18677 1 4 'sodium azide' 'natural abundance' . . . . . . 0,2 . . mM . . . . 18677 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18677 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18677 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18677 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 18677 1 pH 7.2 . pH 18677 1 pressure 1 . atm 18677 1 temperature 298 . K 18677 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18677 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18677 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18677 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18677 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18677 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18677 2 'data analysis' 18677 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18677 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18677 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18677 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18677 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18677 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18677 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18677 1 2 spectrometer_2 Varian INOVA . 500 . . . 18677 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18677 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18677 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18677 _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 0.00 na indirect 0.251449530 . . . . . . . . . 18677 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18677 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18677 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18677 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18677 1 2 '2D 1H-13C HSQC' . . . 18677 1 3 '3D CBCA(CO)NH' . . . 18677 1 4 '3D HNCACB' . . . 18677 1 5 '3D C(CO)NH' . . . 18677 1 6 '3D H(CCO)NH' . . . 18677 1 8 '3D 1H-15N TOCSY' . . . 18677 1 9 '3D HNCO' . . . 18677 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 ALA HA H 1 4.256 0.05 . 1 . . . C 327 ALA HA . 18677 1 2 . 1 1 1 1 ALA HB1 H 1 1.430 0.05 . 1 . . . C 327 ALA HB1 . 18677 1 3 . 1 1 1 1 ALA HB2 H 1 1.430 0.05 . 1 . . . C 327 ALA HB2 . 18677 1 4 . 1 1 1 1 ALA HB3 H 1 1.430 0.05 . 1 . . . C 327 ALA HB3 . 18677 1 5 . 1 1 1 1 ALA H H 1 8.373 0.05 . 1 . . . C 327 ALA H1 . 18677 1 6 . 1 1 1 1 ALA C C 13 176.908 0.4 . 1 . . . C 327 ALA C . 18677 1 7 . 1 1 1 1 ALA CA C 13 51.862 0.4 . 1 . . . C 327 ALA CA . 18677 1 8 . 1 1 1 1 ALA CB C 13 19.263 0.4 . 1 . . . C 327 ALA CB . 18677 1 9 . 1 1 1 1 ALA N N 15 125.541 0.2 . 1 . . . C 327 ALA N . 18677 1 10 . 1 1 2 2 VAL H H 1 8.351 0.05 . 1 . . . C 328 VAL H . 18677 1 11 . 1 1 2 2 VAL HA H 1 4.193 0.05 . 1 . . . C 328 VAL HA . 18677 1 12 . 1 1 2 2 VAL HB H 1 2.008 0.05 . 1 . . . C 328 VAL HB . 18677 1 13 . 1 1 2 2 VAL HG11 H 1 1.017 0.05 . . . . . C 328 VAL HG11 . 18677 1 14 . 1 1 2 2 VAL HG12 H 1 1.017 0.05 . . . . . C 328 VAL HG12 . 18677 1 15 . 1 1 2 2 VAL HG13 H 1 1.017 0.05 . . . . . C 328 VAL HG13 . 18677 1 16 . 1 1 2 2 VAL HG21 H 1 1.002 0.05 . . . . . C 328 VAL HG21 . 18677 1 17 . 1 1 2 2 VAL HG22 H 1 1.002 0.05 . . . . . C 328 VAL HG22 . 18677 1 18 . 1 1 2 2 VAL HG23 H 1 1.002 0.05 . . . . . C 328 VAL HG23 . 18677 1 19 . 1 1 2 2 VAL C C 13 177.357 0.4 . 1 . . . C 328 VAL C . 18677 1 20 . 1 1 2 2 VAL CA C 13 62.306 0.4 . 1 . . . C 328 VAL CA . 18677 1 21 . 1 1 2 2 VAL CB C 13 31.970 0.4 . 1 . . . C 328 VAL CB . 18677 1 22 . 1 1 2 2 VAL CG1 C 13 20.760 0.4 . . . . . C 328 VAL CG1 . 18677 1 23 . 1 1 2 2 VAL CG2 C 13 20.760 0.4 . . . . . C 328 VAL CG2 . 18677 1 24 . 1 1 2 2 VAL N N 15 119.732 0.2 . 1 . . . C 328 VAL N . 18677 1 25 . 1 1 3 3 ALA H H 1 8.488 0.05 . 1 . . . C 329 ALA H . 18677 1 26 . 1 1 3 3 ALA HA H 1 4.518 0.05 . 1 . . . C 329 ALA HA . 18677 1 27 . 1 1 3 3 ALA HB1 H 1 1.097 0.05 . 1 . . . C 329 ALA HB1 . 18677 1 28 . 1 1 3 3 ALA HB2 H 1 1.097 0.05 . 1 . . . C 329 ALA HB2 . 18677 1 29 . 1 1 3 3 ALA HB3 H 1 1.097 0.05 . 1 . . . C 329 ALA HB3 . 18677 1 30 . 1 1 3 3 ALA C C 13 177.764 0.4 . 1 . . . C 329 ALA C . 18677 1 31 . 1 1 3 3 ALA CA C 13 51.050 0.4 . 1 . . . C 329 ALA CA . 18677 1 32 . 1 1 3 3 ALA CB C 13 19.519 0.4 . 1 . . . C 329 ALA CB . 18677 1 33 . 1 1 3 3 ALA N N 15 130.173 0.2 . 1 . . . C 329 ALA N . 18677 1 34 . 1 1 4 4 THR H H 1 9.276 0.05 . 1 . . . C 330 THR H . 18677 1 35 . 1 1 4 4 THR HA H 1 4.587 0.05 . 1 . . . C 330 THR HA . 18677 1 36 . 1 1 4 4 THR HB H 1 4.770 0.05 . 1 . . . C 330 THR HB . 18677 1 37 . 1 1 4 4 THR HG21 H 1 1.328 0.05 . 1 . . . C 330 THR HG21 . 18677 1 38 . 1 1 4 4 THR HG22 H 1 1.328 0.05 . 1 . . . C 330 THR HG22 . 18677 1 39 . 1 1 4 4 THR HG23 H 1 1.328 0.05 . 1 . . . C 330 THR HG23 . 18677 1 40 . 1 1 4 4 THR CA C 13 59.610 0.4 . 1 . . . C 330 THR CA . 18677 1 41 . 1 1 4 4 THR CB C 13 67.873 0.4 . 1 . . . C 330 THR CB . 18677 1 42 . 1 1 4 4 THR CG2 C 13 21.58 0.4 . 1 . . . C 330 THR CG2 . 18677 1 43 . 1 1 4 4 THR N N 15 116.112 0.2 . 1 . . . C 330 THR N . 18677 1 44 . 1 1 5 5 PRO HA H 1 4.176 0.05 . 1 . . . C 331 PRO HA . 18677 1 45 . 1 1 5 5 PRO HB2 H 1 1.835 0.05 . . . . . C 331 PRO HB2 . 18677 1 46 . 1 1 5 5 PRO HB3 H 1 2.343 0.05 . . . . . C 331 PRO HB3 . 18677 1 47 . 1 1 5 5 PRO HG2 H 1 2.026 0.05 . . . . . C 331 PRO HG2 . 18677 1 48 . 1 1 5 5 PRO HG3 H 1 2.223 0.05 . . . . . C 331 PRO HG3 . 18677 1 49 . 1 1 5 5 PRO HD2 H 1 3.940 0.05 . . . . . C 331 PRO HD2 . 18677 1 50 . 1 1 5 5 PRO HD3 H 1 3.873 0.05 . . . . . C 331 PRO HD3 . 18677 1 51 . 1 1 5 5 PRO C C 13 179.911 0.4 . 1 . . . C 331 PRO C . 18677 1 52 . 1 1 5 5 PRO CA C 13 65.458 0.4 . 1 . . . C 331 PRO CA . 18677 1 53 . 1 1 5 5 PRO CB C 13 31.360 0.4 . 1 . . . C 331 PRO CB . 18677 1 54 . 1 1 5 5 PRO CG C 13 28.03 0.4 . 1 . . . C 331 PRO CG . 18677 1 55 . 1 1 5 5 PRO CD C 13 49.60 0.4 . 1 . . . C 331 PRO CD . 18677 1 56 . 1 1 6 6 GLU H H 1 8.561 0.05 . 1 . . . C 332 GLU H . 18677 1 57 . 1 1 6 6 GLU HA H 1 3.989 0.05 . 1 . . . C 332 GLU HA . 18677 1 58 . 1 1 6 6 GLU HB2 H 1 2.010 0.05 . . . . . C 332 GLU HB2 . 18677 1 59 . 1 1 6 6 GLU HB3 H 1 1.859 0.05 . . . . . C 332 GLU HB3 . 18677 1 60 . 1 1 6 6 GLU HG2 H 1 2.348 0.05 . . . . . C 332 GLU HG2 . 18677 1 61 . 1 1 6 6 GLU HG3 H 1 2.161 0.05 . . . . . C 332 GLU HG3 . 18677 1 62 . 1 1 6 6 GLU C C 13 178.892 0.4 . 1 . . . C 332 GLU C . 18677 1 63 . 1 1 6 6 GLU CA C 13 59.845 0.4 . 1 . . . C 332 GLU CA . 18677 1 64 . 1 1 6 6 GLU CB C 13 28.425 0.4 . 1 . . . C 332 GLU CB . 18677 1 65 . 1 1 6 6 GLU CG C 13 36.402 0.4 . 1 . . . C 332 GLU CG . 18677 1 66 . 1 1 6 6 GLU N N 15 117.710 0.2 . 1 . . . C 332 GLU N . 18677 1 67 . 1 1 7 7 GLU H H 1 7.785 0.05 . 1 . . . C 333 GLU H . 18677 1 68 . 1 1 7 7 GLU HA H 1 3.825 0.05 . 1 . . . C 333 GLU HA . 18677 1 69 . 1 1 7 7 GLU HB2 H 1 2.380 0.05 . . . . . C 333 GLU HB2 . 18677 1 70 . 1 1 7 7 GLU HB3 H 1 1.663 0.05 . . . . . C 333 GLU HB3 . 18677 1 71 . 1 1 7 7 GLU HG2 H 1 2.235 0.05 . . . . . C 333 GLU HG2 . 18677 1 72 . 1 1 7 7 GLU HG3 H 1 2.190 0.05 . . . . . C 333 GLU HG3 . 18677 1 73 . 1 1 7 7 GLU C C 13 180.410 0.4 . 1 . . . C 333 GLU C . 18677 1 74 . 1 1 7 7 GLU CA C 13 58.441 0.4 . 1 . . . C 333 GLU CA . 18677 1 75 . 1 1 7 7 GLU CB C 13 28.622 0.4 . 1 . . . C 333 GLU CB . 18677 1 76 . 1 1 7 7 GLU CG C 13 36.934 0.4 . 1 . . . C 333 GLU CG . 18677 1 77 . 1 1 7 7 GLU N N 15 120.30 0.2 . 1 . . . C 333 GLU N . 18677 1 78 . 1 1 8 8 LEU H H 1 8.044 0.05 . 1 . . . C 334 LEU H . 18677 1 79 . 1 1 8 8 LEU HA H 1 3.792 0.05 . 1 . . . C 334 LEU HA . 18677 1 80 . 1 1 8 8 LEU HB2 H 1 1.731 0.05 . . . . . C 334 LEU HB2 . 18677 1 81 . 1 1 8 8 LEU HG H 1 1.395 0.05 . 1 . . . C 334 LEU HG . 18677 1 82 . 1 1 8 8 LEU HD11 H 1 0.522 0.05 . . . . . C 334 LEU HD11 . 18677 1 83 . 1 1 8 8 LEU HD12 H 1 0.522 0.05 . . . . . C 334 LEU HD12 . 18677 1 84 . 1 1 8 8 LEU HD13 H 1 0.522 0.05 . . . . . C 334 LEU HD13 . 18677 1 85 . 1 1 8 8 LEU HD21 H 1 0.550 0.05 . . . . . C 334 LEU HD21 . 18677 1 86 . 1 1 8 8 LEU HD22 H 1 0.550 0.05 . . . . . C 334 LEU HD22 . 18677 1 87 . 1 1 8 8 LEU HD23 H 1 0.550 0.05 . . . . . C 334 LEU HD23 . 18677 1 88 . 1 1 8 8 LEU C C 13 179.064 0.4 . 1 . . . C 334 LEU C . 18677 1 89 . 1 1 8 8 LEU CA C 13 57.092 0.4 . 1 . . . C 334 LEU CA . 18677 1 90 . 1 1 8 8 LEU CB C 13 41.261 0.4 . 1 . . . C 334 LEU CB . 18677 1 91 . 1 1 8 8 LEU CG C 13 26.730 0.4 . 1 . . . C 334 LEU CG . 18677 1 92 . 1 1 8 8 LEU CD1 C 13 22.920 0.4 . . . . . C 334 LEU CD1 . 18677 1 93 . 1 1 8 8 LEU CD2 C 13 25.720 0.4 . . . . . C 334 LEU CD2 . 18677 1 94 . 1 1 8 8 LEU N N 15 119.888 0.2 . 1 . . . C 334 LEU N . 18677 1 95 . 1 1 9 9 ALA H H 1 7.931 0.05 . 1 . . . C 335 ALA H . 18677 1 96 . 1 1 9 9 ALA HA H 1 4.095 0.05 . 1 . . . C 335 ALA HA . 18677 1 97 . 1 1 9 9 ALA HB1 H 1 1.435 0.05 . 1 . . . C 335 ALA HB1 . 18677 1 98 . 1 1 9 9 ALA HB2 H 1 1.435 0.05 . 1 . . . C 335 ALA HB2 . 18677 1 99 . 1 1 9 9 ALA HB3 H 1 1.435 0.05 . 1 . . . C 335 ALA HB3 . 18677 1 100 . 1 1 9 9 ALA C C 13 179.696 0.4 . 1 . . . C 335 ALA C . 18677 1 101 . 1 1 9 9 ALA CA C 13 54.096 0.4 . 1 . . . C 335 ALA CA . 18677 1 102 . 1 1 9 9 ALA CB C 13 17.762 0.4 . 1 . . . C 335 ALA CB . 18677 1 103 . 1 1 9 9 ALA N N 15 121.832 0.2 . 1 . . . C 335 ALA N . 18677 1 104 . 1 1 10 10 VAL H H 1 7.504 0.05 . 1 . . . C 336 VAL H . 18677 1 105 . 1 1 10 10 VAL HA H 1 3.925 0.05 . 1 . . . C 336 VAL HA . 18677 1 106 . 1 1 10 10 VAL HB H 1 2.023 0.05 . 1 . . . C 336 VAL HB . 18677 1 107 . 1 1 10 10 VAL HG11 H 1 0.923 0.05 . . . . . C 336 VAL HG11 . 18677 1 108 . 1 1 10 10 VAL HG12 H 1 0.923 0.05 . . . . . C 336 VAL HG12 . 18677 1 109 . 1 1 10 10 VAL HG13 H 1 0.923 0.05 . . . . . C 336 VAL HG13 . 18677 1 110 . 1 1 10 10 VAL HG21 H 1 0.923 0.05 . . . . . C 336 VAL HG21 . 18677 1 111 . 1 1 10 10 VAL HG22 H 1 0.923 0.05 . . . . . C 336 VAL HG22 . 18677 1 112 . 1 1 10 10 VAL HG23 H 1 0.923 0.05 . . . . . C 336 VAL HG23 . 18677 1 113 . 1 1 10 10 VAL C C 13 176.816 0.4 . 1 . . . C 336 VAL C . 18677 1 114 . 1 1 10 10 VAL CA C 13 63.026 0.4 . 1 . . . C 336 VAL CA . 18677 1 115 . 1 1 10 10 VAL CB C 13 31.555 0.4 . 1 . . . C 336 VAL CB . 18677 1 116 . 1 1 10 10 VAL CG1 C 13 20.231 0.4 . . . . . C 336 VAL CG1 . 18677 1 117 . 1 1 10 10 VAL CG2 C 13 20.231 0.4 . . . . . C 336 VAL CG2 . 18677 1 118 . 1 1 10 10 VAL N N 15 114.076 0.2 . 1 . . . C 336 VAL N . 18677 1 119 . 1 1 11 11 ASN H H 1 7.395 0.05 . 1 . . . C 337 ASN H . 18677 1 120 . 1 1 11 11 ASN HA H 1 4.343 0.05 . 1 . . . C 337 ASN HA . 18677 1 121 . 1 1 11 11 ASN HB2 H 1 2.678 0.05 . . . . . C 337 ASN HB2 . 18677 1 122 . 1 1 11 11 ASN HB3 H 1 2.508 0.05 . . . . . C 337 ASN HB3 . 18677 1 123 . 1 1 11 11 ASN HD21 H 1 8.035 0.05 . . . . . C 337 ASN HD21 . 18677 1 124 . 1 1 11 11 ASN HD22 H 1 7.493 0.05 . . . . . C 337 ASN HD22 . 18677 1 125 . 1 1 11 11 ASN C C 13 174.524 0.4 . 1 . . . C 337 ASN C . 18677 1 126 . 1 1 11 11 ASN CA C 13 54.744 0.4 . 1 . . . C 337 ASN CA . 18677 1 127 . 1 1 11 11 ASN CB C 13 39.929 0.4 . 1 . . . C 337 ASN CB . 18677 1 128 . 1 1 11 11 ASN N N 15 118.954 0.2 . 1 . . . C 337 ASN N . 18677 1 129 . 1 1 11 11 ASN ND2 N 15 118.90 0.2 . 1 . . . C 337 ASN ND2 . 18677 1 130 . 1 1 12 12 ASN H H 1 8.108 0.05 . 1 . . . C 338 ASN H . 18677 1 131 . 1 1 12 12 ASN HA H 1 4.555 0.05 . 1 . . . C 338 ASN HA . 18677 1 132 . 1 1 12 12 ASN HB2 H 1 2.841 0.05 . . . . . C 338 ASN HB2 . 18677 1 133 . 1 1 12 12 ASN HB3 H 1 2.542 0.05 . . . . . C 338 ASN HB3 . 18677 1 134 . 1 1 12 12 ASN HD21 H 1 7.515 0.05 . . . . . C 338 ASN HD21 . 18677 1 135 . 1 1 12 12 ASN HD22 H 1 6.732 0.05 . . . . . C 338 ASN HD22 . 18677 1 136 . 1 1 12 12 ASN C C 13 174.051 0.4 . 1 . . . C 338 ASN C . 18677 1 137 . 1 1 12 12 ASN CA C 13 52.870 0.4 . 1 . . . C 338 ASN CA . 18677 1 138 . 1 1 12 12 ASN CB C 13 38.404 0.4 . 1 . . . C 338 ASN CB . 18677 1 139 . 1 1 12 12 ASN N N 15 116.973 0.2 . 1 . . . C 338 ASN N . 18677 1 140 . 1 1 12 12 ASN ND2 N 15 111.95 0.2 . 1 . . . C 338 ASN ND2 . 18677 1 141 . 1 1 13 13 ASP H H 1 7.764 0.05 . 1 . . . C 339 ASP H . 18677 1 142 . 1 1 13 13 ASP HA H 1 4.664 0.05 . 1 . . . C 339 ASP HA . 18677 1 143 . 1 1 13 13 ASP HB2 H 1 2.555 0.05 . . . . . C 339 ASP HB2 . 18677 1 144 . 1 1 13 13 ASP C C 13 176.001 0.4 . 1 . . . C 339 ASP C . 18677 1 145 . 1 1 13 13 ASP CA C 13 53.287 0.4 . 1 . . . C 339 ASP CA . 18677 1 146 . 1 1 13 13 ASP CB C 13 41.814 0.4 . 1 . . . C 339 ASP CB . 18677 1 147 . 1 1 13 13 ASP N N 15 117.408 0.2 . 1 . . . C 339 ASP N . 18677 1 148 . 1 1 14 14 ASP H H 1 8.377 0.05 . 1 . . . C 340 ASP H . 18677 1 149 . 1 1 14 14 ASP HA H 1 4.367 0.05 . 1 . . . C 340 ASP HA . 18677 1 150 . 1 1 14 14 ASP HB2 H 1 2.299 0.05 . . . . . C 340 ASP HB2 . 18677 1 151 . 1 1 14 14 ASP HB3 H 1 2.154 0.05 . . . . . C 340 ASP HB3 . 18677 1 152 . 1 1 14 14 ASP C C 13 176.153 0.4 . 1 . . . C 340 ASP C . 18677 1 153 . 1 1 14 14 ASP CA C 13 53.823 0.4 . 1 . . . C 340 ASP CA . 18677 1 154 . 1 1 14 14 ASP CB C 13 41.349 0.4 . 1 . . . C 340 ASP CB . 18677 1 155 . 1 1 14 14 ASP N N 15 119.861 0.2 . 1 . . . C 340 ASP N . 18677 1 156 . 1 1 15 15 CYS H H 1 8.148 0.05 . 1 . . . C 341 CYS H . 18677 1 157 . 1 1 15 15 CYS HA H 1 3.953 0.05 . 1 . . . C 341 CYS HA . 18677 1 158 . 1 1 15 15 CYS HB2 H 1 3.422 0.05 . . . . . C 341 CYS HB2 . 18677 1 159 . 1 1 15 15 CYS HB3 H 1 2.508 0.05 . . . . . C 341 CYS HB3 . 18677 1 160 . 1 1 15 15 CYS C C 13 177.113 0.4 . 1 . . . C 341 CYS C . 18677 1 161 . 1 1 15 15 CYS CA C 13 59.495 0.4 . 1 . . . C 341 CYS CA . 18677 1 162 . 1 1 15 15 CYS CB C 13 30.993 0.4 . 1 . . . C 341 CYS CB . 18677 1 163 . 1 1 15 15 CYS N N 15 123.739 0.2 . 1 . . . C 341 CYS N . 18677 1 164 . 1 1 16 16 ALA H H 1 8.598 0.05 . 1 . . . C 342 ALA H . 18677 1 165 . 1 1 16 16 ALA HA H 1 2.975 0.05 . 1 . . . C 342 ALA HA . 18677 1 166 . 1 1 16 16 ALA HB1 H 1 1.099 0.05 . 1 . . . C 342 ALA HB1 . 18677 1 167 . 1 1 16 16 ALA HB2 H 1 1.099 0.05 . 1 . . . C 342 ALA HB2 . 18677 1 168 . 1 1 16 16 ALA HB3 H 1 1.099 0.05 . 1 . . . C 342 ALA HB3 . 18677 1 169 . 1 1 16 16 ALA C C 13 176.069 0.4 . 1 . . . C 342 ALA C . 18677 1 170 . 1 1 16 16 ALA CA C 13 52.034 0.4 . 1 . . . C 342 ALA CA . 18677 1 171 . 1 1 16 16 ALA CB C 13 18.092 0.4 . 1 . . . C 342 ALA CB . 18677 1 172 . 1 1 16 16 ALA N N 15 130.969 0.2 . 1 . . . C 342 ALA N . 18677 1 173 . 1 1 17 17 ILE H H 1 8.252 0.05 . 1 . . . C 343 ILE H . 18677 1 174 . 1 1 17 17 ILE HA H 1 3.753 0.05 . 1 . . . C 343 ILE HA . 18677 1 175 . 1 1 17 17 ILE HB H 1 1.710 0.05 . 1 . . . C 343 ILE HB . 18677 1 176 . 1 1 17 17 ILE HG12 H 1 1.100 0.05 . . . . . C 343 ILE HG12 . 18677 1 177 . 1 1 17 17 ILE HG13 H 1 0.278 0.05 . . . . . C 343 ILE HG13 . 18677 1 178 . 1 1 17 17 ILE HG21 H 1 0.964 0.05 . 1 . . . C 343 ILE HG21 . 18677 1 179 . 1 1 17 17 ILE HG22 H 1 0.964 0.05 . 1 . . . C 343 ILE HG22 . 18677 1 180 . 1 1 17 17 ILE HG23 H 1 0.964 0.05 . 1 . . . C 343 ILE HG23 . 18677 1 181 . 1 1 17 17 ILE HD11 H 1 0.298 0.05 . 1 . . . C 343 ILE HD11 . 18677 1 182 . 1 1 17 17 ILE HD12 H 1 0.298 0.05 . 1 . . . C 343 ILE HD12 . 18677 1 183 . 1 1 17 17 ILE HD13 H 1 0.298 0.05 . 1 . . . C 343 ILE HD13 . 18677 1 184 . 1 1 17 17 ILE C C 13 175.902 0.4 . 1 . . . C 343 ILE C . 18677 1 185 . 1 1 17 17 ILE CA C 13 63.538 0.4 . 1 . . . C 343 ILE CA . 18677 1 186 . 1 1 17 17 ILE CB C 13 38.361 0.4 . 1 . . . C 343 ILE CB . 18677 1 187 . 1 1 17 17 ILE CG1 C 13 27.480 0.4 . 1 . . . C 343 ILE CG1 . 18677 1 188 . 1 1 17 17 ILE CG2 C 13 16.665 0.4 . 1 . . . C 343 ILE CG2 . 18677 1 189 . 1 1 17 17 ILE CD1 C 13 12.900 0.4 . 1 . . . C 343 ILE CD1 . 18677 1 190 . 1 1 17 17 ILE N N 15 117.963 0.2 . 1 . . . C 343 ILE N . 18677 1 191 . 1 1 18 18 CYS H H 1 7.359 0.05 . 1 . . . C 344 CYS H . 18677 1 192 . 1 1 18 18 CYS HA H 1 4.720 0.05 . 1 . . . C 344 CYS HA . 18677 1 193 . 1 1 18 18 CYS HB2 H 1 3.194 0.05 . . . . . C 344 CYS HB2 . 18677 1 194 . 1 1 18 18 CYS HB3 H 1 2.991 0.05 . . . . . C 344 CYS HB3 . 18677 1 195 . 1 1 18 18 CYS C C 13 175.507 0.4 . 1 . . . C 344 CYS C . 18677 1 196 . 1 1 18 18 CYS CA C 13 57.709 0.4 . 1 . . . C 344 CYS CA . 18677 1 197 . 1 1 18 18 CYS CB C 13 31.889 0.4 . 1 . . . C 344 CYS CB . 18677 1 198 . 1 1 18 18 CYS N N 15 115.918 0.2 . 1 . . . C 344 CYS N . 18677 1 199 . 1 1 19 19 TRP H H 1 8.325 0.05 . 1 . . . C 345 TRP H . 18677 1 200 . 1 1 19 19 TRP HA H 1 4.416 0.05 . 1 . . . C 345 TRP HA . 18677 1 201 . 1 1 19 19 TRP HB2 H 1 3.463 0.05 . . . . . C 345 TRP HB2 . 18677 1 202 . 1 1 19 19 TRP HD1 H 1 6.975 0.05 . 1 . . . C 345 TRP HD1 . 18677 1 203 . 1 1 19 19 TRP HE1 H 1 9.613 0.05 . 1 . . . C 345 TRP HE1 . 18677 1 204 . 1 1 19 19 TRP HE3 H 1 7.663 0.05 . 1 . . . C 345 TRP HE3 . 18677 1 205 . 1 1 19 19 TRP HZ2 H 1 7.476 0.05 . 1 . . . C 345 TRP HZ2 . 18677 1 206 . 1 1 19 19 TRP HZ3 H 1 6.833 0.05 . 1 . . . C 345 TRP HZ3 . 18677 1 207 . 1 1 19 19 TRP HH2 H 1 7.358 0.05 . 1 . . . C 345 TRP HH2 . 18677 1 208 . 1 1 19 19 TRP C C 13 173.833 0.4 . 1 . . . C 345 TRP C . 18677 1 209 . 1 1 19 19 TRP CA C 13 57.809 0.4 . 1 . . . C 345 TRP CA . 18677 1 210 . 1 1 19 19 TRP CB C 13 25.109 0.4 . 1 . . . C 345 TRP CB . 18677 1 211 . 1 1 19 19 TRP CD1 C 13 125.812 0.4 . 1 . . . C 345 TRP CD1 . 18677 1 212 . 1 1 19 19 TRP CE3 C 13 118.064 0.4 . 1 . . . C 345 TRP CE3 . 18677 1 213 . 1 1 19 19 TRP CZ2 C 13 114.351 0.4 . 1 . . . C 345 TRP CZ2 . 18677 1 214 . 1 1 19 19 TRP CZ3 C 13 117.967 0.4 . 1 . . . C 345 TRP CZ3 . 18677 1 215 . 1 1 19 19 TRP N N 15 120.670 0.2 . 1 . . . C 345 TRP N . 18677 1 216 . 1 1 19 19 TRP NE1 N 15 127.378 0.2 . 1 . . . C 345 TRP NE1 . 18677 1 217 . 1 1 20 20 ASP H H 1 8.623 0.05 . 1 . . . C 346 ASP H . 18677 1 218 . 1 1 20 20 ASP HA H 1 5.281 0.05 . 1 . . . C 346 ASP HA . 18677 1 219 . 1 1 20 20 ASP HB2 H 1 2.937 0.05 . . . . . C 346 ASP HB2 . 18677 1 220 . 1 1 20 20 ASP HB3 H 1 2.893 0.05 . . . . . C 346 ASP HB3 . 18677 1 221 . 1 1 20 20 ASP C C 13 176.422 0.4 . 1 . . . C 346 ASP C . 18677 1 222 . 1 1 20 20 ASP CA C 13 51.934 0.4 . 1 . . . C 346 ASP CA . 18677 1 223 . 1 1 20 20 ASP CB C 13 43.811 0.4 . 1 . . . C 346 ASP CB . 18677 1 224 . 1 1 20 20 ASP N N 15 120.742 0.2 . 1 . . . C 346 ASP N . 18677 1 225 . 1 1 21 21 SER H H 1 8.589 0.05 . 1 . . . C 347 SER H . 18677 1 226 . 1 1 21 21 SER HA H 1 4.376 0.05 . 1 . . . C 347 SER HA . 18677 1 227 . 1 1 21 21 SER HB2 H 1 3.925 0.05 . . . . . C 347 SER HB2 . 18677 1 228 . 1 1 21 21 SER HB3 H 1 3.840 0.05 . . . . . C 347 SER HB3 . 18677 1 229 . 1 1 21 21 SER C C 13 174.621 0.4 . 1 . . . C 347 SER C . 18677 1 230 . 1 1 21 21 SER CA C 13 58.267 0.4 . 1 . . . C 347 SER CA . 18677 1 231 . 1 1 21 21 SER CB C 13 63.339 0.4 . 1 . . . C 347 SER CB . 18677 1 232 . 1 1 21 21 SER N N 15 116.315 0.2 . 1 . . . C 347 SER N . 18677 1 233 . 1 1 22 22 MET H H 1 9.040 0.05 . 1 . . . C 348 MET H . 18677 1 234 . 1 1 22 22 MET HA H 1 4.587 0.05 . 1 . . . C 348 MET HA . 18677 1 235 . 1 1 22 22 MET HB2 H 1 1.704 0.05 . . . . . C 348 MET HB2 . 18677 1 236 . 1 1 22 22 MET HB3 H 1 1.445 0.05 . . . . . C 348 MET HB3 . 18677 1 237 . 1 1 22 22 MET HG2 H 1 0.826 0.05 . . . . . C 348 MET HG2 . 18677 1 238 . 1 1 22 22 MET HE1 H 1 2.052 0.05 . 1 . . . C 348 MET HE1 . 18677 1 239 . 1 1 22 22 MET HE2 H 1 2.052 0.05 . 1 . . . C 348 MET HE2 . 18677 1 240 . 1 1 22 22 MET HE3 H 1 2.052 0.05 . 1 . . . C 348 MET HE3 . 18677 1 241 . 1 1 22 22 MET C C 13 174.817 0.4 . 1 . . . C 348 MET C . 18677 1 242 . 1 1 22 22 MET CA C 13 54.755 0.4 . 1 . . . C 348 MET CA . 18677 1 243 . 1 1 22 22 MET CB C 13 34.15 0.4 . 1 . . . C 348 MET CB . 18677 1 244 . 1 1 22 22 MET CG C 13 30.31 0.4 . 1 . . . C 348 MET CG . 18677 1 245 . 1 1 22 22 MET CE C 13 17.002 0.4 . 1 . . . C 348 MET CE . 18677 1 246 . 1 1 22 22 MET N N 15 120.5 0.2 . 1 . . . C 348 MET N . 18677 1 247 . 1 1 23 23 GLN H H 1 9.442 0.05 . 1 . . . C 349 GLN H . 18677 1 248 . 1 1 23 23 GLN HA H 1 4.316 0.05 . 1 . . . C 349 GLN HA . 18677 1 249 . 1 1 23 23 GLN HB2 H 1 2.313 0.05 . . . . . C 349 GLN HB2 . 18677 1 250 . 1 1 23 23 GLN HB3 H 1 2.377 0.05 . . . . . C 349 GLN HB3 . 18677 1 251 . 1 1 23 23 GLN HG2 H 1 2.185 0.05 . . . . . C 349 GLN HG2 . 18677 1 252 . 1 1 23 23 GLN HG3 H 1 1.981 0.05 . . . . . C 349 GLN HG3 . 18677 1 253 . 1 1 23 23 GLN C C 13 174.715 0.4 . 1 . . . C 349 GLN C . 18677 1 254 . 1 1 23 23 GLN CA C 13 55.716 0.4 . 1 . . . C 349 GLN CA . 18677 1 255 . 1 1 23 23 GLN CB C 13 34.238 0.4 . 1 . . . C 349 GLN CB . 18677 1 256 . 1 1 23 23 GLN CG C 13 28.845 0.4 . 1 . . . C 349 GLN CG . 18677 1 257 . 1 1 23 23 GLN N N 15 123.32 0.2 . 1 . . . C 349 GLN N . 18677 1 258 . 1 1 24 24 ALA H H 1 7.727 0.05 . 1 . . . C 350 ALA H . 18677 1 259 . 1 1 24 24 ALA HA H 1 4.440 0.05 . 1 . . . C 350 ALA HA . 18677 1 260 . 1 1 24 24 ALA HB1 H 1 1.371 0.05 . 1 . . . C 350 ALA HB1 . 18677 1 261 . 1 1 24 24 ALA HB2 H 1 1.371 0.05 . 1 . . . C 350 ALA HB2 . 18677 1 262 . 1 1 24 24 ALA HB3 H 1 1.371 0.05 . 1 . . . C 350 ALA HB3 . 18677 1 263 . 1 1 24 24 ALA C C 13 175.941 0.4 . 1 . . . C 350 ALA C . 18677 1 264 . 1 1 24 24 ALA CA C 13 51.107 0.4 . 1 . . . C 350 ALA CA . 18677 1 265 . 1 1 24 24 ALA CB C 13 21.073 0.4 . 1 . . . C 350 ALA CB . 18677 1 266 . 1 1 24 24 ALA N N 15 121.381 0.2 . 1 . . . C 350 ALA N . 18677 1 267 . 1 1 25 25 ALA H H 1 9.036 0.05 . 1 . . . C 351 ALA H . 18677 1 268 . 1 1 25 25 ALA HA H 1 4.767 0.05 . 1 . . . C 351 ALA HA . 18677 1 269 . 1 1 25 25 ALA HB1 H 1 1.143 0.05 . 1 . . . C 351 ALA HB1 . 18677 1 270 . 1 1 25 25 ALA HB2 H 1 1.143 0.05 . 1 . . . C 351 ALA HB2 . 18677 1 271 . 1 1 25 25 ALA HB3 H 1 1.143 0.05 . 1 . . . C 351 ALA HB3 . 18677 1 272 . 1 1 25 25 ALA C C 13 176.921 0.4 . 1 . . . C 351 ALA C . 18677 1 273 . 1 1 25 25 ALA CA C 13 51.450 0.4 . 1 . . . C 351 ALA CA . 18677 1 274 . 1 1 25 25 ALA CB C 13 24.919 0.4 . 1 . . . C 351 ALA CB . 18677 1 275 . 1 1 25 25 ALA N N 15 121.845 0.2 . 1 . . . C 351 ALA N . 18677 1 276 . 1 1 26 26 ARG H H 1 8.956 0.05 . 1 . . . C 352 ARG H . 18677 1 277 . 1 1 26 26 ARG HA H 1 5.019 0.05 . 1 . . . C 352 ARG HA . 18677 1 278 . 1 1 26 26 ARG HB2 H 1 1.657 0.05 . . . . . C 352 ARG HB2 . 18677 1 279 . 1 1 26 26 ARG HB3 H 1 1.506 0.05 . . . . . C 352 ARG HB3 . 18677 1 280 . 1 1 26 26 ARG HG2 H 1 1.750 0.05 . . . . . C 352 ARG HG2 . 18677 1 281 . 1 1 26 26 ARG HD2 H 1 3.140 0.05 . . . . . C 352 ARG HD2 . 18677 1 282 . 1 1 26 26 ARG C C 13 173.757 0.4 . 1 . . . C 352 ARG C . 18677 1 283 . 1 1 26 26 ARG CA C 13 52.842 0.4 . 1 . . . C 352 ARG CA . 18677 1 284 . 1 1 26 26 ARG CB C 13 32.294 0.4 . 1 . . . C 352 ARG CB . 18677 1 285 . 1 1 26 26 ARG CG C 13 26.116 0.4 . 1 . . . C 352 ARG CG . 18677 1 286 . 1 1 26 26 ARG CD C 13 42.268 0.4 . 1 . . . C 352 ARG CD . 18677 1 287 . 1 1 26 26 ARG N N 15 118.863 0.2 . 1 . . . C 352 ARG N . 18677 1 288 . 1 1 27 27 LYS H H 1 8.811 0.05 . 1 . . . C 353 LYS H . 18677 1 289 . 1 1 27 27 LYS HA H 1 4.739 0.05 . 1 . . . C 353 LYS HA . 18677 1 290 . 1 1 27 27 LYS HB2 H 1 1.608 0.05 . . . . . C 353 LYS HB2 . 18677 1 291 . 1 1 27 27 LYS HB3 H 1 1.031 0.05 . . . . . C 353 LYS HB3 . 18677 1 292 . 1 1 27 27 LYS HG2 H 1 1.330 0.05 . . . . . C 353 LYS HG2 . 18677 1 293 . 1 1 27 27 LYS HG3 H 1 1.068 0.05 . . . . . C 353 LYS HG3 . 18677 1 294 . 1 1 27 27 LYS HD2 H 1 1.555 0.05 . . . . . C 353 LYS HD2 . 18677 1 295 . 1 1 27 27 LYS HD3 H 1 1.444 0.05 . . . . . C 353 LYS HD3 . 18677 1 296 . 1 1 27 27 LYS C C 13 175.871 0.4 . 1 . . . C 353 LYS C . 18677 1 297 . 1 1 27 27 LYS CA C 13 54.051 0.4 . 1 . . . C 353 LYS CA . 18677 1 298 . 1 1 27 27 LYS CB C 13 35.190 0.4 . 1 . . . C 353 LYS CB . 18677 1 299 . 1 1 27 27 LYS CG C 13 23.782 0.4 . 1 . . . C 353 LYS CG . 18677 1 300 . 1 1 27 27 LYS CD C 13 28.847 0.4 . 1 . . . C 353 LYS CD . 18677 1 301 . 1 1 27 27 LYS CE C 13 41.190 0.4 . 1 . . . C 353 LYS CE . 18677 1 302 . 1 1 27 27 LYS N N 15 122.217 0.2 . 1 . . . C 353 LYS N . 18677 1 303 . 1 1 28 28 LEU H H 1 8.601 0.05 . 1 . . . C 354 LEU H . 18677 1 304 . 1 1 28 28 LEU HA H 1 4.440 0.05 . 1 . . . C 354 LEU HA . 18677 1 305 . 1 1 28 28 LEU HB2 H 1 2.377 0.05 . . . . . C 354 LEU HB2 . 18677 1 306 . 1 1 28 28 LEU HB3 H 1 1.557 0.05 . . . . . C 354 LEU HB3 . 18677 1 307 . 1 1 28 28 LEU HG H 1 1.700 0.05 . 1 . . . C 354 LEU HG . 18677 1 308 . 1 1 28 28 LEU HD11 H 1 0.156 0.05 . . . . . C 354 LEU HD11 . 18677 1 309 . 1 1 28 28 LEU HD12 H 1 0.156 0.05 . . . . . C 354 LEU HD12 . 18677 1 310 . 1 1 28 28 LEU HD13 H 1 0.156 0.05 . . . . . C 354 LEU HD13 . 18677 1 311 . 1 1 28 28 LEU CA C 13 53.405 0.4 . 1 . . . C 354 LEU CA . 18677 1 312 . 1 1 28 28 LEU CB C 13 41.461 0.4 . 1 . . . C 354 LEU CB . 18677 1 313 . 1 1 28 28 LEU CG C 13 27.000 0.4 . 1 . . . C 354 LEU CG . 18677 1 314 . 1 1 28 28 LEU CD1 C 13 22.050 0.4 . . . . . C 354 LEU CD1 . 18677 1 315 . 1 1 28 28 LEU N N 15 125.979 0.2 . 1 . . . C 354 LEU N . 18677 1 316 . 1 1 29 29 PRO HA H 1 4.331 0.05 . 1 . . . C 355 PRO HA . 18677 1 317 . 1 1 29 29 PRO HB2 H 1 2.507 0.05 . . . . . C 355 PRO HB2 . 18677 1 318 . 1 1 29 29 PRO HB3 H 1 1.893 0.05 . . . . . C 355 PRO HB3 . 18677 1 319 . 1 1 29 29 PRO HG2 H 1 2.250 0.05 . . . . . C 355 PRO HG2 . 18677 1 320 . 1 1 29 29 PRO HD2 H 1 3.852 0.05 . . . . . C 355 PRO HD2 . 18677 1 321 . 1 1 29 29 PRO HD3 H 1 3.578 0.05 . . . . . C 355 PRO HD3 . 18677 1 322 . 1 1 29 29 PRO C C 13 177.342 0.4 . 1 . . . C 355 PRO C . 18677 1 323 . 1 1 29 29 PRO CA C 13 65.233 0.4 . 1 . . . C 355 PRO CA . 18677 1 324 . 1 1 29 29 PRO CB C 13 30.985 0.4 . 1 . . . C 355 PRO CB . 18677 1 325 . 1 1 29 29 PRO CG C 13 27.800 0.4 . 1 . . . C 355 PRO CG . 18677 1 326 . 1 1 29 29 PRO CD C 13 49.600 0.4 . 1 . . . C 355 PRO CD . 18677 1 327 . 1 1 30 30 CYS H H 1 7.551 0.05 . 1 . . . C 356 CYS H . 18677 1 328 . 1 1 30 30 CYS HA H 1 4.300 0.05 . 1 . . . C 356 CYS HA . 18677 1 329 . 1 1 30 30 CYS HB2 H 1 3.007 0.05 . . . . . C 356 CYS HB2 . 18677 1 330 . 1 1 30 30 CYS HB3 H 1 2.883 0.05 . . . . . C 356 CYS HB3 . 18677 1 331 . 1 1 30 30 CYS C C 13 176.147 0.4 . 1 . . . C 356 CYS C . 18677 1 332 . 1 1 30 30 CYS CA C 13 56.608 0.4 . 1 . . . C 356 CYS CA . 18677 1 333 . 1 1 30 30 CYS CB C 13 31.316 0.4 . 1 . . . C 356 CYS CB . 18677 1 334 . 1 1 30 30 CYS N N 15 113.186 0.2 . 1 . . . C 356 CYS N . 18677 1 335 . 1 1 31 31 GLY H H 1 8.292 0.05 . 1 . . . C 357 GLY H . 18677 1 336 . 1 1 31 31 GLY HA2 H 1 4.088 0.05 . . . . . C 357 GLY HA2 . 18677 1 337 . 1 1 31 31 GLY HA3 H 1 3.210 0.05 . . . . . C 357 GLY HA3 . 18677 1 338 . 1 1 31 31 GLY C C 13 173.545 0.4 . 1 . . . C 357 GLY C . 18677 1 339 . 1 1 31 31 GLY CA C 13 44.284 0.4 . 1 . . . C 357 GLY CA . 18677 1 340 . 1 1 31 31 GLY N N 15 111.358 0.2 . 1 . . . C 357 GLY N . 18677 1 341 . 1 1 32 32 HIS H H 1 7.824 0.05 . 1 . . . C 358 HIS H . 18677 1 342 . 1 1 32 32 HIS HA H 1 4.500 0.05 . 1 . . . C 358 HIS HA . 18677 1 343 . 1 1 32 32 HIS HB2 H 1 3.247 0.05 . . . . . C 358 HIS HB2 . 18677 1 344 . 1 1 32 32 HIS HB3 H 1 2.942 0.05 . . . . . C 358 HIS HB3 . 18677 1 345 . 1 1 32 32 HIS HD2 H 1 6.990 0.05 . 1 . . . C 358 HIS HD2 . 18677 1 346 . 1 1 32 32 HIS HE1 H 1 7.249 0.05 . 1 . . . C 358 HIS HE1 . 18677 1 347 . 1 1 32 32 HIS C C 13 172.823 0.4 . 1 . . . C 358 HIS C . 18677 1 348 . 1 1 32 32 HIS CA C 13 59.904 0.4 . 1 . . . C 358 HIS CA . 18677 1 349 . 1 1 32 32 HIS CB C 13 30.690 0.4 . 1 . . . C 358 HIS CB . 18677 1 350 . 1 1 32 32 HIS CD2 C 13 118.00 0.4 . 1 . . . C 358 HIS CD2 . 18677 1 351 . 1 1 32 32 HIS CE1 C 13 134.05 0.4 . 1 . . . C 358 HIS CE1 . 18677 1 352 . 1 1 32 32 HIS N N 15 122.287 0.2 . 1 . . . C 358 HIS N . 18677 1 353 . 1 1 32 32 HIS ND1 N 15 192.34 0.2 . 1 . . . C 358 HIS ND1 . 18677 1 354 . 1 1 32 32 HIS NE2 N 15 181.78 0.2 . 1 . . . C 358 HIS NE2 . 18677 1 355 . 1 1 33 33 LEU H H 1 8.060 0.05 . 1 . . . C 359 LEU H . 18677 1 356 . 1 1 33 33 LEU HA H 1 5.053 0.05 . 1 . . . C 359 LEU HA . 18677 1 357 . 1 1 33 33 LEU HB2 H 1 1.200 0.05 . . . . . C 359 LEU HB2 . 18677 1 358 . 1 1 33 33 LEU HB3 H 1 0.774 0.05 . . . . . C 359 LEU HB3 . 18677 1 359 . 1 1 33 33 LEU HG H 1 1.478 0.05 . 1 . . . C 359 LEU HG . 18677 1 360 . 1 1 33 33 LEU HD11 H 1 0.826 0.05 . . . . . C 359 LEU HD11 . 18677 1 361 . 1 1 33 33 LEU HD12 H 1 0.826 0.05 . . . . . C 359 LEU HD12 . 18677 1 362 . 1 1 33 33 LEU HD13 H 1 0.826 0.05 . . . . . C 359 LEU HD13 . 18677 1 363 . 1 1 33 33 LEU HD21 H 1 0.493 0.05 . . . . . C 359 LEU HD21 . 18677 1 364 . 1 1 33 33 LEU HD22 H 1 0.493 0.05 . . . . . C 359 LEU HD22 . 18677 1 365 . 1 1 33 33 LEU HD23 H 1 0.493 0.05 . . . . . C 359 LEU HD23 . 18677 1 366 . 1 1 33 33 LEU C C 13 174.149 0.4 . 1 . . . C 359 LEU C . 18677 1 367 . 1 1 33 33 LEU CA C 13 52.859 0.4 . 1 . . . C 359 LEU CA . 18677 1 368 . 1 1 33 33 LEU CB C 13 44.539 0.4 . 1 . . . C 359 LEU CB . 18677 1 369 . 1 1 33 33 LEU CG C 13 26.600 0.4 . 1 . . . C 359 LEU CG . 18677 1 370 . 1 1 33 33 LEU CD1 C 13 24.714 0.4 . . . . . C 359 LEU CD1 . 18677 1 371 . 1 1 33 33 LEU N N 15 121.280 0.2 . 1 . . . C 359 LEU N . 18677 1 372 . 1 1 34 34 PHE H H 1 8.038 0.05 . 1 . . . C 360 PHE H . 18677 1 373 . 1 1 34 34 PHE HA H 1 5.082 0.05 . 1 . . . C 360 PHE HA . 18677 1 374 . 1 1 34 34 PHE HB2 H 1 3.171 0.05 . . . . . C 360 PHE HB2 . 18677 1 375 . 1 1 34 34 PHE HB3 H 1 2.139 0.05 . . . . . C 360 PHE HB3 . 18677 1 376 . 1 1 34 34 PHE HD2 H 1 7.045 0.05 . . . . . C 360 PHE HD2 . 18677 1 377 . 1 1 34 34 PHE HE2 H 1 7.045 0.05 . . . . . C 360 PHE HE2 . 18677 1 378 . 1 1 34 34 PHE C C 13 175.995 0.4 . 1 . . . C 360 PHE C . 18677 1 379 . 1 1 34 34 PHE CA C 13 56.591 0.4 . 1 . . . C 360 PHE CA . 18677 1 380 . 1 1 34 34 PHE CB C 13 45.337 0.4 . 1 . . . C 360 PHE CB . 18677 1 381 . 1 1 34 34 PHE CD2 C 13 130.934 0.4 . . . . . C 360 PHE CD2 . 18677 1 382 . 1 1 34 34 PHE CE2 C 13 132.70 0.4 . . . . . C 360 PHE CE2 . 18677 1 383 . 1 1 34 34 PHE N N 15 113.606 0.2 . 1 . . . C 360 PHE N . 18677 1 384 . 1 1 35 35 HIS H H 1 7.950 0.05 . 1 . . . C 361 HIS H . 18677 1 385 . 1 1 35 35 HIS HA H 1 4.599 0.05 . 1 . . . C 361 HIS HA . 18677 1 386 . 1 1 35 35 HIS HB2 H 1 3.688 0.05 . . . . . C 361 HIS HB2 . 18677 1 387 . 1 1 35 35 HIS HB3 H 1 3.801 0.05 . . . . . C 361 HIS HB3 . 18677 1 388 . 1 1 35 35 HIS HD2 H 1 7.642 0.05 . 1 . . . C 361 HIS HD2 . 18677 1 389 . 1 1 35 35 HIS HE1 H 1 7.041 0.05 . 1 . . . C 361 HIS HE1 . 18677 1 390 . 1 1 35 35 HIS C C 13 176.424 0.4 . 1 . . . C 361 HIS C . 18677 1 391 . 1 1 35 35 HIS CA C 13 59.463 0.4 . 1 . . . C 361 HIS CA . 18677 1 392 . 1 1 35 35 HIS CB C 13 31.693 0.4 . 1 . . . C 361 HIS CB . 18677 1 393 . 1 1 35 35 HIS CD2 C 13 117.655 0.4 . 1 . . . C 361 HIS CD2 . 18677 1 394 . 1 1 35 35 HIS CE1 C 13 132.678 0.4 . 1 . . . C 361 HIS CE1 . 18677 1 395 . 1 1 35 35 HIS N N 15 117.644 0.2 . 1 . . . C 361 HIS N . 18677 1 396 . 1 1 35 35 HIS ND1 N 15 190.265 0.2 . 1 . . . C 361 HIS ND1 . 18677 1 397 . 1 1 35 35 HIS NE2 N 15 184.320 0.2 . 1 . . . C 361 HIS NE2 . 18677 1 398 . 1 1 36 36 ASN H H 1 9.457 0.05 . 1 . . . C 362 ASN H . 18677 1 399 . 1 1 36 36 ASN HA H 1 4.137 0.05 . 1 . . . C 362 ASN HA . 18677 1 400 . 1 1 36 36 ASN HB2 H 1 2.839 0.05 . . . . . C 362 ASN HB2 . 18677 1 401 . 1 1 36 36 ASN HD21 H 1 7.650 0.05 . . . . . C 362 ASN HD21 . 18677 1 402 . 1 1 36 36 ASN HD22 H 1 7.206 0.05 . . . . . C 362 ASN HD22 . 18677 1 403 . 1 1 36 36 ASN C C 13 177.025 0.4 . 1 . . . C 362 ASN C . 18677 1 404 . 1 1 36 36 ASN CA C 13 58.193 0.4 . 1 . . . C 362 ASN CA . 18677 1 405 . 1 1 36 36 ASN CB C 13 39.535 0.4 . 1 . . . C 362 ASN CB . 18677 1 406 . 1 1 36 36 ASN N N 15 120.823 0.2 . 1 . . . C 362 ASN N . 18677 1 407 . 1 1 36 36 ASN ND2 N 15 113.950 0.2 . 1 . . . C 362 ASN ND2 . 18677 1 408 . 1 1 37 37 SER H H 1 9.004 0.05 . 1 . . . C 363 SER H . 18677 1 409 . 1 1 37 37 SER HA H 1 4.743 0.05 . 1 . . . C 363 SER HA . 18677 1 410 . 1 1 37 37 SER HB2 H 1 4.040 0.05 . . . . . C 363 SER HB2 . 18677 1 411 . 1 1 37 37 SER C C 13 177.742 0.4 . 1 . . . C 363 SER C . 18677 1 412 . 1 1 37 37 SER CA C 13 60.941 0.4 . 1 . . . C 363 SER CA . 18677 1 413 . 1 1 37 37 SER CB C 13 61.063 0.4 . 1 . . . C 363 SER CB . 18677 1 414 . 1 1 37 37 SER N N 15 113.173 0.2 . 1 . . . C 363 SER N . 18677 1 415 . 1 1 38 38 CYS H H 1 6.758 0.05 . 1 . . . C 364 CYS H . 18677 1 416 . 1 1 38 38 CYS HA H 1 3.978 0.05 . 1 . . . C 364 CYS HA . 18677 1 417 . 1 1 38 38 CYS HB2 H 1 2.965 0.05 . . . . . C 364 CYS HB2 . 18677 1 418 . 1 1 38 38 CYS HB3 H 1 2.885 0.05 . . . . . C 364 CYS HB3 . 18677 1 419 . 1 1 38 38 CYS C C 13 177.167 0.4 . 1 . . . C 364 CYS C . 18677 1 420 . 1 1 38 38 CYS CA C 13 62.567 0.4 . 1 . . . C 364 CYS CA . 18677 1 421 . 1 1 38 38 CYS CB C 13 28.422 0.4 . 1 . . . C 364 CYS CB . 18677 1 422 . 1 1 38 38 CYS N N 15 122.233 0.2 . 1 . . . C 364 CYS N . 18677 1 423 . 1 1 39 39 LEU H H 1 8.456 0.05 . 1 . . . C 365 LEU H . 18677 1 424 . 1 1 39 39 LEU HA H 1 3.838 0.05 . 1 . . . C 365 LEU HA . 18677 1 425 . 1 1 39 39 LEU HB2 H 1 1.850 0.05 . . . . . C 365 LEU HB2 . 18677 1 426 . 1 1 39 39 LEU HB3 H 1 1.387 0.05 . . . . . C 365 LEU HB3 . 18677 1 427 . 1 1 39 39 LEU HG H 1 0.719 0.05 . 1 . . . C 365 LEU HG . 18677 1 428 . 1 1 39 39 LEU HD11 H 1 0.536 0.05 . . . . . C 365 LEU HD11 . 18677 1 429 . 1 1 39 39 LEU HD12 H 1 0.536 0.05 . . . . . C 365 LEU HD12 . 18677 1 430 . 1 1 39 39 LEU HD13 H 1 0.536 0.05 . . . . . C 365 LEU HD13 . 18677 1 431 . 1 1 39 39 LEU C C 13 177.580 0.4 . 1 . . . C 365 LEU C . 18677 1 432 . 1 1 39 39 LEU CA C 13 56.862 0.4 . 1 . . . C 365 LEU CA . 18677 1 433 . 1 1 39 39 LEU CB C 13 41.553 0.4 . 1 . . . C 365 LEU CB . 18677 1 434 . 1 1 39 39 LEU CG C 13 25.779 0.4 . 1 . . . C 365 LEU CG . 18677 1 435 . 1 1 39 39 LEU CD1 C 13 22.622 0.4 . . . . . C 365 LEU CD1 . 18677 1 436 . 1 1 39 39 LEU N N 15 120.172 0.2 . 1 . . . C 365 LEU N . 18677 1 437 . 1 1 40 40 ARG H H 1 8.245 0.05 . 1 . . . C 366 ARG H . 18677 1 438 . 1 1 40 40 ARG HA H 1 3.852 0.05 . 1 . . . C 366 ARG HA . 18677 1 439 . 1 1 40 40 ARG HB2 H 1 1.907 0.05 . . . . . C 366 ARG HB2 . 18677 1 440 . 1 1 40 40 ARG HG2 H 1 1.757 0.05 . . . . . C 366 ARG HG2 . 18677 1 441 . 1 1 40 40 ARG HG3 H 1 1.592 0.05 . . . . . C 366 ARG HG3 . 18677 1 442 . 1 1 40 40 ARG HD2 H 1 3.181 0.05 . . . . . C 366 ARG HD2 . 18677 1 443 . 1 1 40 40 ARG HH11 H 1 6.910 0.05 . . . . . C 366 ARG HH11 . 18677 1 444 . 1 1 40 40 ARG HH21 H 1 6.990 0.05 . . . . . C 366 ARG HH21 . 18677 1 445 . 1 1 40 40 ARG C C 13 177.539 0.4 . 1 . . . C 366 ARG C . 18677 1 446 . 1 1 40 40 ARG CA C 13 59.987 0.4 . 1 . . . C 366 ARG CA . 18677 1 447 . 1 1 40 40 ARG CB C 13 29.540 0.4 . 1 . . . C 366 ARG CB . 18677 1 448 . 1 1 40 40 ARG CG C 13 26.533 0.4 . 1 . . . C 366 ARG CG . 18677 1 449 . 1 1 40 40 ARG CD C 13 43.425 0.4 . 1 . . . C 366 ARG CD . 18677 1 450 . 1 1 40 40 ARG N N 15 118.554 0.2 . 1 . . . C 366 ARG N . 18677 1 451 . 1 1 40 40 ARG NH1 N 15 72.304 0.2 . . . . . C 366 ARG NH1 . 18677 1 452 . 1 1 40 40 ARG NH2 N 15 72.304 0.2 . . . . . C 366 ARG NH2 . 18677 1 453 . 1 1 41 41 SER H H 1 7.585 0.05 . 1 . . . C 367 SER H . 18677 1 454 . 1 1 41 41 SER HA H 1 4.202 0.05 . 1 . . . C 367 SER HA . 18677 1 455 . 1 1 41 41 SER HB2 H 1 3.974 0.05 . . . . . C 367 SER HB2 . 18677 1 456 . 1 1 41 41 SER C C 13 177.226 0.4 . 1 . . . C 367 SER C . 18677 1 457 . 1 1 41 41 SER CA C 13 60.926 0.4 . 1 . . . C 367 SER CA . 18677 1 458 . 1 1 41 41 SER CB C 13 62.189 0.4 . 1 . . . C 367 SER CB . 18677 1 459 . 1 1 41 41 SER N N 15 111.737 0.2 . 1 . . . C 367 SER N . 18677 1 460 . 1 1 42 42 TRP H H 1 8.496 0.05 . 1 . . . C 368 TRP H . 18677 1 461 . 1 1 42 42 TRP HA H 1 4.122 0.05 . 1 . . . C 368 TRP HA . 18677 1 462 . 1 1 42 42 TRP HB2 H 1 3.267 0.05 . . . . . C 368 TRP HB2 . 18677 1 463 . 1 1 42 42 TRP HD1 H 1 6.706 0.05 . 1 . . . C 368 TRP HD1 . 18677 1 464 . 1 1 42 42 TRP HE1 H 1 10.087 0.05 . 1 . . . C 368 TRP HE1 . 18677 1 465 . 1 1 42 42 TRP HE3 H 1 7.890 0.05 . 1 . . . C 368 TRP HE3 . 18677 1 466 . 1 1 42 42 TRP HZ2 H 1 7.173 0.05 . 1 . . . C 368 TRP HZ2 . 18677 1 467 . 1 1 42 42 TRP C C 13 178.470 0.4 . 1 . . . C 368 TRP C . 18677 1 468 . 1 1 42 42 TRP CA C 13 60.187 0.4 . 1 . . . C 368 TRP CA . 18677 1 469 . 1 1 42 42 TRP CB C 13 29.320 0.4 . 1 . . . C 368 TRP CB . 18677 1 470 . 1 1 42 42 TRP CD1 C 13 125.352 0.4 . 1 . . . C 368 TRP CD1 . 18677 1 471 . 1 1 42 42 TRP CZ2 C 13 113.701 0.4 . 1 . . . C 368 TRP CZ2 . 18677 1 472 . 1 1 42 42 TRP N N 15 124.863 0.2 . 1 . . . C 368 TRP N . 18677 1 473 . 1 1 42 42 TRP NE1 N 15 131.459 0.2 . 1 . . . C 368 TRP NE1 . 18677 1 474 . 1 1 43 43 LEU H H 1 8.429 0.05 . 1 . . . C 369 LEU H . 18677 1 475 . 1 1 43 43 LEU HA H 1 4.716 0.05 . 1 . . . C 369 LEU HA . 18677 1 476 . 1 1 43 43 LEU HB2 H 1 1.900 0.05 . . . . . C 369 LEU HB2 . 18677 1 477 . 1 1 43 43 LEU HB3 H 1 1.536 0.05 . . . . . C 369 LEU HB3 . 18677 1 478 . 1 1 43 43 LEU HG H 1 2.024 0.05 . 1 . . . C 369 LEU HG . 18677 1 479 . 1 1 43 43 LEU HD11 H 1 0.996 0.05 . . . . . C 369 LEU HD11 . 18677 1 480 . 1 1 43 43 LEU HD12 H 1 0.996 0.05 . . . . . C 369 LEU HD12 . 18677 1 481 . 1 1 43 43 LEU HD13 H 1 0.996 0.05 . . . . . C 369 LEU HD13 . 18677 1 482 . 1 1 43 43 LEU C C 13 177.625 0.4 . 1 . . . C 369 LEU C . 18677 1 483 . 1 1 43 43 LEU CA C 13 55.528 0.4 . 1 . . . C 369 LEU CA . 18677 1 484 . 1 1 43 43 LEU CB C 13 41.349 0.4 . 1 . . . C 369 LEU CB . 18677 1 485 . 1 1 43 43 LEU CG C 13 26.524 0.4 . 1 . . . C 369 LEU CG . 18677 1 486 . 1 1 43 43 LEU CD1 C 13 22.110 0.4 . . . . . C 369 LEU CD1 . 18677 1 487 . 1 1 43 43 LEU N N 15 116.399 0.2 . 1 . . . C 369 LEU N . 18677 1 488 . 1 1 44 44 GLU H H 1 7.210 0.05 . 1 . . . C 370 GLU H . 18677 1 489 . 1 1 44 44 GLU HA H 1 4.000 0.05 . 1 . . . C 370 GLU HA . 18677 1 490 . 1 1 44 44 GLU HB2 H 1 2.045 0.05 . . . . . C 370 GLU HB2 . 18677 1 491 . 1 1 44 44 GLU HG2 H 1 2.460 0.05 . . . . . C 370 GLU HG2 . 18677 1 492 . 1 1 44 44 GLU HG3 H 1 2.240 0.05 . . . . . C 370 GLU HG3 . 18677 1 493 . 1 1 44 44 GLU C C 13 176.246 0.4 . 1 . . . C 370 GLU C . 18677 1 494 . 1 1 44 44 GLU CA C 13 57.885 0.4 . 1 . . . C 370 GLU CA . 18677 1 495 . 1 1 44 44 GLU CB C 13 29.538 0.4 . 1 . . . C 370 GLU CB . 18677 1 496 . 1 1 44 44 GLU CG C 13 36.064 0.4 . 1 . . . C 370 GLU CG . 18677 1 497 . 1 1 44 44 GLU N N 15 115.885 0.2 . 1 . . . C 370 GLU N . 18677 1 498 . 1 1 45 45 GLN H H 1 7.561 0.05 . 1 . . . C 371 GLN H . 18677 1 499 . 1 1 45 45 GLN HA H 1 4.419 0.05 . 1 . . . C 371 GLN HA . 18677 1 500 . 1 1 45 45 GLN HB2 H 1 1.815 0.05 . . . . . C 371 GLN HB2 . 18677 1 501 . 1 1 45 45 GLN HB3 H 1 1.741 0.05 . . . . . C 371 GLN HB3 . 18677 1 502 . 1 1 45 45 GLN HG2 H 1 2.059 0.05 . . . . . C 371 GLN HG2 . 18677 1 503 . 1 1 45 45 GLN HE21 H 1 7.196 0.05 . . . . . C 371 GLN HE21 . 18677 1 504 . 1 1 45 45 GLN HE22 H 1 6.256 0.05 . . . . . C 371 GLN HE22 . 18677 1 505 . 1 1 45 45 GLN C C 13 174.459 0.4 . 1 . . . C 371 GLN C . 18677 1 506 . 1 1 45 45 GLN CA C 13 54.79 0.4 . 1 . . . C 371 GLN CA . 18677 1 507 . 1 1 45 45 GLN CB C 13 30.45 0.4 . 1 . . . C 371 GLN CB . 18677 1 508 . 1 1 45 45 GLN CG C 13 32.657 0.4 . 1 . . . C 371 GLN CG . 18677 1 509 . 1 1 45 45 GLN N N 15 113.259 0.2 . 1 . . . C 371 GLN N . 18677 1 510 . 1 1 45 45 GLN NE2 N 15 112.246 0.2 . 1 . . . C 371 GLN NE2 . 18677 1 511 . 1 1 46 46 ASP H H 1 7.890 0.05 . 1 . . . C 372 ASP H . 18677 1 512 . 1 1 46 46 ASP HA H 1 4.548 0.05 . 1 . . . C 372 ASP HA . 18677 1 513 . 1 1 46 46 ASP HB2 H 1 1.750 0.05 . . . . . C 372 ASP HB2 . 18677 1 514 . 1 1 46 46 ASP HB3 H 1 1.581 0.05 . . . . . C 372 ASP HB3 . 18677 1 515 . 1 1 46 46 ASP C C 13 174.003 0.4 . 1 . . . C 372 ASP C . 18677 1 516 . 1 1 46 46 ASP CA C 13 53.607 0.4 . 1 . . . C 372 ASP CA . 18677 1 517 . 1 1 46 46 ASP CB C 13 43.669 0.4 . 1 . . . C 372 ASP CB . 18677 1 518 . 1 1 46 46 ASP N N 15 122.118 0.2 . 1 . . . C 372 ASP N . 18677 1 519 . 1 1 47 47 THR H H 1 7.841 0.05 . 1 . . . C 373 THR H . 18677 1 520 . 1 1 47 47 THR HA H 1 4.505 0.05 . 1 . . . C 373 THR HA . 18677 1 521 . 1 1 47 47 THR HB H 1 4.528 0.05 . 1 . . . C 373 THR HB . 18677 1 522 . 1 1 47 47 THR HG21 H 1 1.116 0.05 . 1 . . . C 373 THR HG21 . 18677 1 523 . 1 1 47 47 THR HG22 H 1 1.116 0.05 . 1 . . . C 373 THR HG22 . 18677 1 524 . 1 1 47 47 THR HG23 H 1 1.116 0.05 . 1 . . . C 373 THR HG23 . 18677 1 525 . 1 1 47 47 THR C C 13 173.484 0.4 . 1 . . . C 373 THR C . 18677 1 526 . 1 1 47 47 THR CA C 13 59.327 0.4 . 1 . . . C 373 THR CA . 18677 1 527 . 1 1 47 47 THR CB C 13 67.599 0.4 . 1 . . . C 373 THR CB . 18677 1 528 . 1 1 47 47 THR CG2 C 13 21.226 0.4 . 1 . . . C 373 THR CG2 . 18677 1 529 . 1 1 47 47 THR N N 15 110.708 0.2 . 1 . . . C 373 THR N . 18677 1 530 . 1 1 48 48 SER H H 1 8.261 0.05 . 1 . . . C 374 SER H . 18677 1 531 . 1 1 48 48 SER HA H 1 5.248 0.05 . 1 . . . C 374 SER HA . 18677 1 532 . 1 1 48 48 SER HB2 H 1 3.441 0.05 . . . . . C 374 SER HB2 . 18677 1 533 . 1 1 48 48 SER HB3 H 1 3.408 0.05 . . . . . C 374 SER HB3 . 18677 1 534 . 1 1 48 48 SER C C 13 172.018 0.4 . 1 . . . C 374 SER C . 18677 1 535 . 1 1 48 48 SER CA C 13 56.145 0.4 . 1 . . . C 374 SER CA . 18677 1 536 . 1 1 48 48 SER CB C 13 65.617 0.4 . 1 . . . C 374 SER CB . 18677 1 537 . 1 1 48 48 SER N N 15 117.048 0.2 . 1 . . . C 374 SER N . 18677 1 538 . 1 1 49 49 CYS H H 1 8.419 0.05 . 1 . . . C 375 CYS H . 18677 1 539 . 1 1 49 49 CYS HA H 1 4.008 0.05 . 1 . . . C 375 CYS HA . 18677 1 540 . 1 1 49 49 CYS HB2 H 1 3.008 0.05 . . . . . C 375 CYS HB2 . 18677 1 541 . 1 1 49 49 CYS HB3 H 1 2.881 0.05 . . . . . C 375 CYS HB3 . 18677 1 542 . 1 1 49 49 CYS CA C 13 56.679 0.4 . 1 . . . C 375 CYS CA . 18677 1 543 . 1 1 49 49 CYS CB C 13 31.228 0.4 . 1 . . . C 375 CYS CB . 18677 1 544 . 1 1 49 49 CYS N N 15 122.523 0.2 . 1 . . . C 375 CYS N . 18677 1 545 . 1 1 50 50 PRO HA H 1 3.638 0.05 . 1 . . . C 376 PRO HA . 18677 1 546 . 1 1 50 50 PRO HB2 H 1 0.978 0.05 . . . . . C 376 PRO HB2 . 18677 1 547 . 1 1 50 50 PRO HB3 H 1 0.569 0.05 . . . . . C 376 PRO HB3 . 18677 1 548 . 1 1 50 50 PRO HG3 H 1 0.922 0.05 . . . . . C 376 PRO HG3 . 18677 1 549 . 1 1 50 50 PRO HD2 H 1 3.027 0.05 . . . . . C 376 PRO HD2 . 18677 1 550 . 1 1 50 50 PRO HD3 H 1 2.870 0.05 . . . . . C 376 PRO HD3 . 18677 1 551 . 1 1 50 50 PRO C C 13 176.495 0.4 . 1 . . . C 376 PRO C . 18677 1 552 . 1 1 50 50 PRO CA C 13 64.442 0.4 . 1 . . . C 376 PRO CA . 18677 1 553 . 1 1 50 50 PRO CB C 13 31.370 0.4 . 1 . . . C 376 PRO CB . 18677 1 554 . 1 1 50 50 PRO CG C 13 24.300 0.4 . 1 . . . C 376 PRO CG . 18677 1 555 . 1 1 50 50 PRO CD C 13 50.205 0.4 . 1 . . . C 376 PRO CD . 18677 1 556 . 1 1 51 51 THR H H 1 9.047 0.05 . 1 . . . C 377 THR H . 18677 1 557 . 1 1 51 51 THR HA H 1 4.053 0.05 . 1 . . . C 377 THR HA . 18677 1 558 . 1 1 51 51 THR HB H 1 3.163 0.05 . 1 . . . C 377 THR HB . 18677 1 559 . 1 1 51 51 THR HG21 H 1 0.550 0.05 . 1 . . . C 377 THR HG21 . 18677 1 560 . 1 1 51 51 THR HG22 H 1 0.550 0.05 . 1 . . . C 377 THR HG22 . 18677 1 561 . 1 1 51 51 THR HG23 H 1 0.550 0.05 . 1 . . . C 377 THR HG23 . 18677 1 562 . 1 1 51 51 THR C C 13 174.857 0.4 . 1 . . . C 377 THR C . 18677 1 563 . 1 1 51 51 THR CA C 13 64.148 0.4 . 1 . . . C 377 THR CA . 18677 1 564 . 1 1 51 51 THR CB C 13 69.237 0.4 . 1 . . . C 377 THR CB . 18677 1 565 . 1 1 51 51 THR CG2 C 13 20.650 0.4 . 1 . . . C 377 THR CG2 . 18677 1 566 . 1 1 51 51 THR N N 15 115.817 0.2 . 1 . . . C 377 THR N . 18677 1 567 . 1 1 52 52 CYS H H 1 8.564 0.05 . 1 . . . C 378 CYS H . 18677 1 568 . 1 1 52 52 CYS HA H 1 4.913 0.05 . 1 . . . C 378 CYS HA . 18677 1 569 . 1 1 52 52 CYS HB2 H 1 3.335 0.05 . . . . . C 378 CYS HB2 . 18677 1 570 . 1 1 52 52 CYS HB3 H 1 2.718 0.05 . . . . . C 378 CYS HB3 . 18677 1 571 . 1 1 52 52 CYS C C 13 176.189 0.4 . 1 . . . C 378 CYS C . 18677 1 572 . 1 1 52 52 CYS CA C 13 57.980 0.4 . 1 . . . C 378 CYS CA . 18677 1 573 . 1 1 52 52 CYS CB C 13 31.411 0.4 . 1 . . . C 378 CYS CB . 18677 1 574 . 1 1 52 52 CYS N N 15 120.781 0.2 . 1 . . . C 378 CYS N . 18677 1 575 . 1 1 53 53 ARG H H 1 7.817 0.05 . 1 . . . C 379 ARG H . 18677 1 576 . 1 1 53 53 ARG HA H 1 4.079 0.05 . 1 . . . C 379 ARG HA . 18677 1 577 . 1 1 53 53 ARG HB2 H 1 2.108 0.05 . . . . . C 379 ARG HB2 . 18677 1 578 . 1 1 53 53 ARG HG2 H 1 1.615 0.05 . . . . . C 379 ARG HG2 . 18677 1 579 . 1 1 53 53 ARG HG3 H 1 1.325 0.05 . . . . . C 379 ARG HG3 . 18677 1 580 . 1 1 53 53 ARG HD2 H 1 3.146 0.05 . . . . . C 379 ARG HD2 . 18677 1 581 . 1 1 53 53 ARG HH11 H 1 7.110 0.05 . . . . . C 379 ARG HH11 . 18677 1 582 . 1 1 53 53 ARG HH21 H 1 7.105 0.05 . . . . . C 379 ARG HH21 . 18677 1 583 . 1 1 53 53 ARG C C 13 175.097 0.4 . 1 . . . C 379 ARG C . 18677 1 584 . 1 1 53 53 ARG CA C 13 55.911 0.4 . 1 . . . C 379 ARG CA . 18677 1 585 . 1 1 53 53 ARG CB C 13 30.358 0.4 . 1 . . . C 379 ARG CB . 18677 1 586 . 1 1 53 53 ARG CG C 13 25.738 0.4 . 1 . . . C 379 ARG CG . 18677 1 587 . 1 1 53 53 ARG CD C 13 40.556 0.4 . 1 . . . C 379 ARG CD . 18677 1 588 . 1 1 53 53 ARG N N 15 115.315 0.2 . 1 . . . C 379 ARG N . 18677 1 589 . 1 1 53 53 ARG NH1 N 15 75.035 0.2 . . . . . C 379 ARG NH1 . 18677 1 590 . 1 1 53 53 ARG NH2 N 15 75.035 0.2 . . . . . C 379 ARG NH2 . 18677 1 591 . 1 1 54 54 MET H H 1 8.040 0.05 . 1 . . . C 380 MET H . 18677 1 592 . 1 1 54 54 MET HA H 1 4.259 0.05 . 1 . . . C 380 MET HA . 18677 1 593 . 1 1 54 54 MET HB2 H 1 2.274 0.05 . . . . . C 380 MET HB2 . 18677 1 594 . 1 1 54 54 MET HB3 H 1 1.847 0.05 . . . . . C 380 MET HB3 . 18677 1 595 . 1 1 54 54 MET HG2 H 1 2.578 0.05 . . . . . C 380 MET HG2 . 18677 1 596 . 1 1 54 54 MET HE1 H 1 2.059 0.05 . 1 . . . C 380 MET HE1 . 18677 1 597 . 1 1 54 54 MET HE2 H 1 2.059 0.05 . 1 . . . C 380 MET HE2 . 18677 1 598 . 1 1 54 54 MET HE3 H 1 2.059 0.05 . 1 . . . C 380 MET HE3 . 18677 1 599 . 1 1 54 54 MET C C 13 176.606 0.4 . 1 . . . C 380 MET C . 18677 1 600 . 1 1 54 54 MET CA C 13 56.789 0.4 . 1 . . . C 380 MET CA . 18677 1 601 . 1 1 54 54 MET CB C 13 32.988 0.4 . 1 . . . C 380 MET CB . 18677 1 602 . 1 1 54 54 MET CG C 13 31.405 0.4 . 1 . . . C 380 MET CG . 18677 1 603 . 1 1 54 54 MET CE C 13 17.000 0.4 . 1 . . . C 380 MET CE . 18677 1 604 . 1 1 54 54 MET N N 15 121.598 0.2 . 1 . . . C 380 MET N . 18677 1 605 . 1 1 55 55 SER H H 1 8.802 0.05 . 1 . . . C 381 SER H . 18677 1 606 . 1 1 55 55 SER HA H 1 4.356 0.05 . 1 . . . C 381 SER HA . 18677 1 607 . 1 1 55 55 SER HB2 H 1 3.970 0.05 . . . . . C 381 SER HB2 . 18677 1 608 . 1 1 55 55 SER HB3 H 1 3.860 0.05 . . . . . C 381 SER HB3 . 18677 1 609 . 1 1 55 55 SER C C 13 175.419 0.4 . 1 . . . C 381 SER C . 18677 1 610 . 1 1 55 55 SER CA C 13 58.989 0.4 . 1 . . . C 381 SER CA . 18677 1 611 . 1 1 55 55 SER CB C 13 62.934 0.4 . 1 . . . C 381 SER CB . 18677 1 612 . 1 1 55 55 SER N N 15 120.943 0.2 . 1 . . . C 381 SER N . 18677 1 613 . 1 1 56 56 LEU H H 1 8.521 0.05 . 1 . . . C 382 LEU H . 18677 1 614 . 1 1 56 56 LEU HA H 1 4.609 0.05 . 1 . . . C 382 LEU HA . 18677 1 615 . 1 1 56 56 LEU HB2 H 1 1.657 0.05 . . . . . C 382 LEU HB2 . 18677 1 616 . 1 1 56 56 LEU HG H 1 1.773 0.05 . 1 . . . C 382 LEU HG . 18677 1 617 . 1 1 56 56 LEU HD11 H 1 0.805 0.05 . . . . . C 382 LEU HD11 . 18677 1 618 . 1 1 56 56 LEU HD12 H 1 0.805 0.05 . . . . . C 382 LEU HD12 . 18677 1 619 . 1 1 56 56 LEU HD13 H 1 0.805 0.05 . . . . . C 382 LEU HD13 . 18677 1 620 . 1 1 56 56 LEU C C 13 176.542 0.4 . 1 . . . C 382 LEU C . 18677 1 621 . 1 1 56 56 LEU CA C 13 53.719 0.4 . 1 . . . C 382 LEU CA . 18677 1 622 . 1 1 56 56 LEU CB C 13 41.475 0.4 . 1 . . . C 382 LEU CB . 18677 1 623 . 1 1 56 56 LEU CG C 13 27.120 0.4 . 1 . . . C 382 LEU CG . 18677 1 624 . 1 1 56 56 LEU CD1 C 13 22.455 0.4 . . . . . C 382 LEU CD1 . 18677 1 625 . 1 1 56 56 LEU N N 15 124.777 0.2 . 1 . . . C 382 LEU N . 18677 1 626 . 1 1 57 57 ASN H H 1 8.432 0.05 . 1 . . . C 383 ASN H . 18677 1 627 . 1 1 57 57 ASN HA H 1 4.619 0.05 . 1 . . . C 383 ASN HA . 18677 1 628 . 1 1 57 57 ASN HB2 H 1 2.839 0.05 . . . . . C 383 ASN HB2 . 18677 1 629 . 1 1 57 57 ASN HB3 H 1 2.696 0.05 . . . . . C 383 ASN HB3 . 18677 1 630 . 1 1 57 57 ASN HD21 H 1 7.595 0.05 . . . . . C 383 ASN HD21 . 18677 1 631 . 1 1 57 57 ASN HD22 H 1 6.872 0.05 . . . . . C 383 ASN HD22 . 18677 1 632 . 1 1 57 57 ASN C C 13 175.013 0.4 . 1 . . . C 383 ASN C . 18677 1 633 . 1 1 57 57 ASN CA C 13 52.835 0.4 . 1 . . . C 383 ASN CA . 18677 1 634 . 1 1 57 57 ASN CB C 13 38.313 0.4 . 1 . . . C 383 ASN CB . 18677 1 635 . 1 1 57 57 ASN N N 15 119.143 0.2 . 1 . . . C 383 ASN N . 18677 1 636 . 1 1 57 57 ASN ND2 N 15 113.06 0.2 . 1 . . . C 383 ASN ND2 . 18677 1 637 . 1 1 58 58 ILE H H 1 8.125 0.05 . 1 . . . C 384 ILE H . 18677 1 638 . 1 1 58 58 ILE HA H 1 4.119 0.05 . 1 . . . C 384 ILE HA . 18677 1 639 . 1 1 58 58 ILE HB H 1 1.851 0.05 . 1 . . . C 384 ILE HB . 18677 1 640 . 1 1 58 58 ILE HG12 H 1 1.530 0.05 . . . . . C 384 ILE HG12 . 18677 1 641 . 1 1 58 58 ILE HG13 H 1 1.125 0.05 . . . . . C 384 ILE HG13 . 18677 1 642 . 1 1 58 58 ILE HG21 H 1 1.521 0.05 . 1 . . . C 384 ILE HG21 . 18677 1 643 . 1 1 58 58 ILE HG22 H 1 1.521 0.05 . 1 . . . C 384 ILE HG22 . 18677 1 644 . 1 1 58 58 ILE HG23 H 1 1.521 0.05 . 1 . . . C 384 ILE HG23 . 18677 1 645 . 1 1 58 58 ILE HD11 H 1 0.852 0.05 . 1 . . . C 384 ILE HD11 . 18677 1 646 . 1 1 58 58 ILE HD12 H 1 0.852 0.05 . 1 . . . C 384 ILE HD12 . 18677 1 647 . 1 1 58 58 ILE HD13 H 1 0.852 0.05 . 1 . . . C 384 ILE HD13 . 18677 1 648 . 1 1 58 58 ILE C C 13 175.75 0.4 . 1 . . . C 384 ILE C . 18677 1 649 . 1 1 58 58 ILE CA C 13 60.729 0.4 . 1 . . . C 384 ILE CA . 18677 1 650 . 1 1 58 58 ILE CB C 13 38.434 0.4 . 1 . . . C 384 ILE CB . 18677 1 651 . 1 1 58 58 ILE CG1 C 13 26.795 0.4 . 1 . . . C 384 ILE CG1 . 18677 1 652 . 1 1 58 58 ILE CG2 C 13 17.13 0.4 . 1 . . . C 384 ILE CG2 . 18677 1 653 . 1 1 58 58 ILE CD1 C 13 13.075 0.4 . 1 . . . C 384 ILE CD1 . 18677 1 654 . 1 1 58 58 ILE N N 15 120.747 0.2 . 1 . . . C 384 ILE N . 18677 1 stop_ save_