data_19201 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19201 _Entry.Title ; TAX1BP1 UBZ1+2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-29 _Entry.Accession_date 2013-04-29 _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 'M. Angeles' Ceregido . . . 19201 2 Mercedes Spinola . . . 19201 3 Lieven Buts . . . 19201 4 Jeronimo Bravo . . . 19201 5 Nico 'van Nuland' . . . 19201 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' . 19201 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TAX1BP1 . 19201 UBD . 19201 'UBZ domain' . 19201 'Zinc finger domain' . 19201 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19201 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 19201 '15N chemical shifts' 72 19201 '1H chemical shifts' 466 19201 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 . . 2014-02-05 2013-04-29 update BMRB 'update entry citation' 19201 1 . . 2013-12-02 2013-04-29 original author 'original release' 19201 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I5O . 19201 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19201 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24239949 _Citation.Full_citation . _Citation.Title 'The Structure of TAX1BP1 UBZ1+2 Provides Insight into Target Specificity and Adaptability.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 426 _Citation.Journal_issue 3 _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 674 _Citation.Page_last 690 _Citation.Year 2014 _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 'M. Angeles' Ceregido . . . 19201 1 2 Mercedes 'Spinola Amilibia' . . . 19201 1 3 Lieven Buts . . . 19201 1 4 Jose Rivera-Torres . . . 19201 1 5 Abel Garcia-Pino . . . 19201 1 6 Jeronimo Bravo . . . 19201 1 7 Nico 'van Nuland' . A.J. . 19201 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19201 _Assembly.ID 1 _Assembly.Name 'TAX1BP1 UBZ1+2' _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 TAX1BP1_UBZ1+2 1 $TAX1BP1_UBZ1-2 A . yes native no no . . . 19201 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 19201 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 19201 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TAX1BP1_UBZ1-2 _Entity.Sf_category entity _Entity.Sf_framecode TAX1BP1_UBZ1-2 _Entity.Entry_ID 19201 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TAX1BP1_UBZ1+2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMDVHKKCPLCELMFPPN YDQSKFEEHVESHWKVCPMC SEQFPPDYDQQVFERHVQTH FDQNVLNFD ; _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 69 _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 8332.372 _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 2M7Q . "Solution Structure Of Tax1bp1 Ubz1+2" . . . . . 100.00 69 100.00 100.00 1.48e-42 . . . . 19201 1 2 no PDB 4BMJ . "Structure Of The Ubz1and2 Tandem Of The Ubiquitin-binding Adaptor Protein Tax1bp1" . . . . . 100.00 69 100.00 100.00 1.48e-42 . . . . 19201 1 3 no DBJ BAB23383 . "unnamed protein product [Mus musculus]" . . . . . 94.20 814 96.92 98.46 2.34e-37 . . . . 19201 1 4 no DBJ BAE26880 . "unnamed protein product [Mus musculus]" . . . . . 94.20 814 96.92 98.46 2.77e-37 . . . . 19201 1 5 no DBJ BAG36949 . "unnamed protein product [Homo sapiens]" . . . . . 94.20 789 100.00 100.00 2.44e-38 . . . . 19201 1 6 no DBJ BAG59309 . "unnamed protein product [Homo sapiens]" . . . . . 94.20 590 100.00 100.00 1.64e-39 . . . . 19201 1 7 no DBJ BAG61627 . "unnamed protein product [Homo sapiens]" . . . . . 94.20 747 100.00 100.00 1.94e-38 . . . . 19201 1 8 no EMBL CAB66521 . "hypothetical protein [Homo sapiens]" . . . . . 94.20 789 100.00 100.00 2.44e-38 . . . . 19201 1 9 no EMBL CAG33337 . "TAX1BP1 [Homo sapiens]" . . . . . 94.20 747 100.00 100.00 1.92e-38 . . . . 19201 1 10 no EMBL CAG38587 . "TAX1BP1 [Homo sapiens]" . . . . . 94.20 789 100.00 100.00 2.44e-38 . . . . 19201 1 11 no EMBL CAH93100 . "hypothetical protein [Pongo abelii]" . . . . . 94.20 813 100.00 100.00 1.85e-38 . . . . 19201 1 12 no EMBL CAH93223 . "hypothetical protein [Pongo abelii]" . . . . . 94.20 789 100.00 100.00 2.04e-38 . . . . 19201 1 13 no GB AAA75595 . "tax1-binding protein TXBP151 [Homo sapiens]" . . . . . 94.20 747 100.00 100.00 1.96e-38 . . . . 19201 1 14 no GB AAC13359 . "unknown [Homo sapiens]" . . . . . 94.20 596 100.00 100.00 1.43e-39 . . . . 19201 1 15 no GB AAF24016 . "PRO0105 [Homo sapiens]" . . . . . 94.20 747 100.00 100.00 1.92e-38 . . . . 19201 1 16 no GB AAG03025 . "TRAF6-binding protein T6BP [Homo sapiens]" . . . . . 94.20 747 100.00 100.00 1.92e-38 . . . . 19201 1 17 no GB AAH50358 . "Tax1 (human T-cell leukemia virus type I) binding protein 1 [Homo sapiens]" . . . . . 94.20 789 100.00 100.00 2.36e-38 . . . . 19201 1 18 no REF NP_001004199 . "tax1-binding protein 1 homolog [Rattus norvegicus]" . . . . . 94.20 813 96.92 96.92 1.11e-36 . . . . 19201 1 19 no REF NP_001073333 . "tax1-binding protein 1 isoform 2 [Homo sapiens]" . . . . . 94.20 747 100.00 100.00 1.92e-38 . . . . 19201 1 20 no REF NP_001126895 . "tax1-binding protein 1 homolog [Pongo abelii]" . . . . . 94.20 789 100.00 100.00 2.04e-38 . . . . 19201 1 21 no REF NP_001128892 . "tax1-binding protein 1 [Pongo abelii]" . . . . . 94.20 813 100.00 100.00 1.85e-38 . . . . 19201 1 22 no REF NP_001193830 . "tax1-binding protein 1 isoform 2 [Homo sapiens]" . . . . . 94.20 747 100.00 100.00 1.92e-38 . . . . 19201 1 23 no SP Q3UKC1 . "RecName: Full=Tax1-binding protein 1 homolog" . . . . . 94.20 814 96.92 98.46 2.77e-37 . . . . 19201 1 24 no SP Q5R4U3 . "RecName: Full=Tax1-binding protein 1 homolog" . . . . . 94.20 813 100.00 100.00 1.89e-38 . . . . 19201 1 25 no SP Q66HA4 . "RecName: Full=Tax1-binding protein 1 homolog; AltName: Full=Liver regeneration-related protein LRRG004" . . . . . 94.20 813 96.92 96.92 1.11e-36 . . . . 19201 1 26 no SP Q86VP1 . "RecName: Full=Tax1-binding protein 1; AltName: Full=TRAF6-binding protein" . . . . . 94.20 789 100.00 100.00 2.44e-38 . . . . 19201 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 1 GLY . 19201 1 2 2 PRO . 19201 1 3 3 HIS . 19201 1 4 4 MET . 19201 1 5 5 ASP . 19201 1 6 6 VAL . 19201 1 7 7 HIS . 19201 1 8 8 LYS . 19201 1 9 9 LYS . 19201 1 10 10 CYS . 19201 1 11 11 PRO . 19201 1 12 12 LEU . 19201 1 13 13 CYS . 19201 1 14 14 GLU . 19201 1 15 15 LEU . 19201 1 16 16 MET . 19201 1 17 17 PHE . 19201 1 18 18 PRO . 19201 1 19 19 PRO . 19201 1 20 20 ASN . 19201 1 21 21 TYR . 19201 1 22 22 ASP . 19201 1 23 23 GLN . 19201 1 24 24 SER . 19201 1 25 25 LYS . 19201 1 26 26 PHE . 19201 1 27 27 GLU . 19201 1 28 28 GLU . 19201 1 29 29 HIS . 19201 1 30 30 VAL . 19201 1 31 31 GLU . 19201 1 32 32 SER . 19201 1 33 33 HIS . 19201 1 34 34 TRP . 19201 1 35 35 LYS . 19201 1 36 36 VAL . 19201 1 37 37 CYS . 19201 1 38 38 PRO . 19201 1 39 39 MET . 19201 1 40 40 CYS . 19201 1 41 41 SER . 19201 1 42 42 GLU . 19201 1 43 43 GLN . 19201 1 44 44 PHE . 19201 1 45 45 PRO . 19201 1 46 46 PRO . 19201 1 47 47 ASP . 19201 1 48 48 TYR . 19201 1 49 49 ASP . 19201 1 50 50 GLN . 19201 1 51 51 GLN . 19201 1 52 52 VAL . 19201 1 53 53 PHE . 19201 1 54 54 GLU . 19201 1 55 55 ARG . 19201 1 56 56 HIS . 19201 1 57 57 VAL . 19201 1 58 58 GLN . 19201 1 59 59 THR . 19201 1 60 60 HIS . 19201 1 61 61 PHE . 19201 1 62 62 ASP . 19201 1 63 63 GLN . 19201 1 64 64 ASN . 19201 1 65 65 VAL . 19201 1 66 66 LEU . 19201 1 67 67 ASN . 19201 1 68 68 PHE . 19201 1 69 69 ASP . 19201 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 19201 1 . PRO 2 2 19201 1 . HIS 3 3 19201 1 . MET 4 4 19201 1 . ASP 5 5 19201 1 . VAL 6 6 19201 1 . HIS 7 7 19201 1 . LYS 8 8 19201 1 . LYS 9 9 19201 1 . CYS 10 10 19201 1 . PRO 11 11 19201 1 . LEU 12 12 19201 1 . CYS 13 13 19201 1 . GLU 14 14 19201 1 . LEU 15 15 19201 1 . MET 16 16 19201 1 . PHE 17 17 19201 1 . PRO 18 18 19201 1 . PRO 19 19 19201 1 . ASN 20 20 19201 1 . TYR 21 21 19201 1 . ASP 22 22 19201 1 . GLN 23 23 19201 1 . SER 24 24 19201 1 . LYS 25 25 19201 1 . PHE 26 26 19201 1 . GLU 27 27 19201 1 . GLU 28 28 19201 1 . HIS 29 29 19201 1 . VAL 30 30 19201 1 . GLU 31 31 19201 1 . SER 32 32 19201 1 . HIS 33 33 19201 1 . TRP 34 34 19201 1 . LYS 35 35 19201 1 . VAL 36 36 19201 1 . CYS 37 37 19201 1 . PRO 38 38 19201 1 . MET 39 39 19201 1 . CYS 40 40 19201 1 . SER 41 41 19201 1 . GLU 42 42 19201 1 . GLN 43 43 19201 1 . PHE 44 44 19201 1 . PRO 45 45 19201 1 . PRO 46 46 19201 1 . ASP 47 47 19201 1 . TYR 48 48 19201 1 . ASP 49 49 19201 1 . GLN 50 50 19201 1 . GLN 51 51 19201 1 . VAL 52 52 19201 1 . PHE 53 53 19201 1 . GLU 54 54 19201 1 . ARG 55 55 19201 1 . HIS 56 56 19201 1 . VAL 57 57 19201 1 . GLN 58 58 19201 1 . THR 59 59 19201 1 . HIS 60 60 19201 1 . PHE 61 61 19201 1 . ASP 62 62 19201 1 . GLN 63 63 19201 1 . ASN 64 64 19201 1 . VAL 65 65 19201 1 . LEU 66 66 19201 1 . ASN 67 67 19201 1 . PHE 68 68 19201 1 . ASP 69 69 19201 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19201 _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 no _Entity.Thiol_state 'not present' _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 19201 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 19201 2 ZN 'Three letter code' 19201 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 19201 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 19201 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 19201 _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 $TAX1BP1_UBZ1-2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19201 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 19201 _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 $TAX1BP1_UBZ1-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 19201 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 19201 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 no _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 19201 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19201 ZN [Zn++] SMILES CACTVS 3.341 19201 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19201 ZN [Zn+2] SMILES ACDLabs 10.04 19201 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19201 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19201 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 19201 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19201 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 . 19201 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19201 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 UBZ1+2 '[U-98% 13C; U-98% 15N]' . . 1 $TAX1BP1_UBZ1-2 . . . 0.5 1.0 mM . . . . 19201 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19201 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19201 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 19201 _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 19201 1 pH 6.0 . pH 19201 1 pressure 1 . atm 19201 1 temperature 298 . K 19201 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19201 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19201 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19201 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 19201 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19201 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19201 2 'data analysis' 19201 2 'peak picking' 19201 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19201 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19201 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19201 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19201 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19201 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19201 4 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 19201 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNS _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 19201 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19201 _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 VNS . 600 . . . 19201 1 2 spectrometer_2 Varian VNS . 800 . . . 19201 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 19201 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 7 CCH-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 8 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 9 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19201 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 19201 _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 . . . . . . . . . 19201 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19201 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19201 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 19201 _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' . . . 19201 1 2 '2D 1H-13C HSQC' . . . 19201 1 3 '3D HNCO' . . . 19201 1 4 '3D HNCACB' . . . 19201 1 5 '3D CBCA(CO)NH' . . . 19201 1 6 '3D HBHA(CO)NH' . . . 19201 1 7 CCH-TOCSY . . . 19201 1 8 (HB)CB(CGCD)HD . . . 19201 1 9 (HB)CB(CGCDCE)HE . . . 19201 1 10 '3D 1H-15N NOESY' . . . 19201 1 11 '3D 1H-13C NOESY' . . . 19201 1 12 '2D 1H-1H NOESY' . . . 19201 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 3.95262 0.00344 . . . . . A 1 GLY HA2 . 19201 1 2 . 1 1 1 1 GLY HA3 H 1 3.95262 0.00344 . . . . . A 1 GLY HA3 . 19201 1 3 . 1 1 1 1 GLY CA C 13 43.26604 1.26159E-6 . . . . . A 1 GLY CA . 19201 1 4 . 1 1 2 2 PRO HA H 1 4.43106 0.00366 . . . . . A 2 PRO HA . 19201 1 5 . 1 1 2 2 PRO HB2 H 1 1.83464 0.00297 . . . . . A 2 PRO HB2 . 19201 1 6 . 1 1 2 2 PRO HB3 H 1 2.24445 0.00182 . . . . . A 2 PRO HB3 . 19201 1 7 . 1 1 2 2 PRO HG2 H 1 1.93833 0.01012 . . . . . A 2 PRO HG2 . 19201 1 8 . 1 1 2 2 PRO HG3 H 1 1.95842 0.00996 . . . . . A 2 PRO HG3 . 19201 1 9 . 1 1 2 2 PRO HD2 H 1 3.5361 0.00297 . . . . . A 2 PRO HD2 . 19201 1 10 . 1 1 2 2 PRO HD3 H 1 3.5361 0.00297 . . . . . A 2 PRO HD3 . 19201 1 11 . 1 1 2 2 PRO C C 13 176.54184 0.000 . . . . . A 2 PRO C . 19201 1 12 . 1 1 2 2 PRO CA C 13 62.96824 0.03736 . . . . . A 2 PRO CA . 19201 1 13 . 1 1 2 2 PRO CB C 13 32.29896 0.03172 . . . . . A 2 PRO CB . 19201 1 14 . 1 1 2 2 PRO CG C 13 27.14257 0.03833 . . . . . A 2 PRO CG . 19201 1 15 . 1 1 2 2 PRO CD C 13 49.65717 0.03945 . . . . . A 2 PRO CD . 19201 1 16 . 1 1 3 3 HIS H H 1 8.65142 0.00181 . . . . . A 3 HIS H . 19201 1 17 . 1 1 3 3 HIS HA H 1 4.64317 0.0031 . . . . . A 3 HIS HA . 19201 1 18 . 1 1 3 3 HIS HB2 H 1 3.15924 0.00744 . . . . . A 3 HIS HB2 . 19201 1 19 . 1 1 3 3 HIS HB3 H 1 3.15924 0.00744 . . . . . A 3 HIS HB3 . 19201 1 20 . 1 1 3 3 HIS HD2 H 1 7.19447 0.00153 . . . . . A 3 HIS HD2 . 19201 1 21 . 1 1 3 3 HIS C C 13 174.59783 0.000 . . . . . A 3 HIS C . 19201 1 22 . 1 1 3 3 HIS CA C 13 55.72551 0.03118 . . . . . A 3 HIS CA . 19201 1 23 . 1 1 3 3 HIS CB C 13 29.49474 0.02431 . . . . . A 3 HIS CB . 19201 1 24 . 1 1 3 3 HIS CD2 C 13 120.12844 1.3487E-6 . . . . . A 3 HIS CD2 . 19201 1 25 . 1 1 3 3 HIS N N 15 119.52841 0.01116 . . . . . A 3 HIS N . 19201 1 26 . 1 1 4 4 MET H H 1 8.40256 0.0023 . . . . . A 4 MET H . 19201 1 27 . 1 1 4 4 MET HA H 1 4.47437 0.00199 . . . . . A 4 MET HA . 19201 1 28 . 1 1 4 4 MET HB2 H 1 1.91437 0.00124 . . . . . A 4 MET HB2 . 19201 1 29 . 1 1 4 4 MET HB3 H 1 2.01589 0.00113 . . . . . A 4 MET HB3 . 19201 1 30 . 1 1 4 4 MET HG2 H 1 2.45787 1.79691E-5 . . . . . A 4 MET HG2 . 19201 1 31 . 1 1 4 4 MET HG3 H 1 2.53035 0.00211 . . . . . A 4 MET HG3 . 19201 1 32 . 1 1 4 4 MET HE1 H 1 2.02445 0.00537 . . . . . A 4 MET HE1 . 19201 1 33 . 1 1 4 4 MET HE2 H 1 2.02445 0.00537 . . . . . A 4 MET HE2 . 19201 1 34 . 1 1 4 4 MET HE3 H 1 2.02445 0.00537 . . . . . A 4 MET HE3 . 19201 1 35 . 1 1 4 4 MET C C 13 175.41895 0.000 . . . . . A 4 MET C . 19201 1 36 . 1 1 4 4 MET CA C 13 55.20738 0.03639 . . . . . A 4 MET CA . 19201 1 37 . 1 1 4 4 MET CB C 13 33.1579 0.02858 . . . . . A 4 MET CB . 19201 1 38 . 1 1 4 4 MET CG C 13 31.9051 3.99854E-4 . . . . . A 4 MET CG . 19201 1 39 . 1 1 4 4 MET CE C 13 16.88806 4.12953E-7 . . . . . A 4 MET CE . 19201 1 40 . 1 1 4 4 MET N N 15 122.54147 0.00464 . . . . . A 4 MET N . 19201 1 41 . 1 1 5 5 ASP H H 1 8.51287 0.00251 . . . . . A 5 ASP H . 19201 1 42 . 1 1 5 5 ASP HA H 1 4.62495 0.00302 . . . . . A 5 ASP HA . 19201 1 43 . 1 1 5 5 ASP HB2 H 1 2.56166 0.00199 . . . . . A 5 ASP HB2 . 19201 1 44 . 1 1 5 5 ASP HB3 H 1 2.6303 0.00208 . . . . . A 5 ASP HB3 . 19201 1 45 . 1 1 5 5 ASP C C 13 175.73375 0.000 . . . . . A 5 ASP C . 19201 1 46 . 1 1 5 5 ASP CA C 13 54.25858 0.03333 . . . . . A 5 ASP CA . 19201 1 47 . 1 1 5 5 ASP CB C 13 41.32346 0.0175 . . . . . A 5 ASP CB . 19201 1 48 . 1 1 5 5 ASP N N 15 122.33279 0.00733 . . . . . A 5 ASP N . 19201 1 49 . 1 1 6 6 VAL H H 1 8.01069 0.00184 . . . . . A 6 VAL H . 19201 1 50 . 1 1 6 6 VAL HA H 1 4.14537 0.00154 . . . . . A 6 VAL HA . 19201 1 51 . 1 1 6 6 VAL HB H 1 2.06044 0.00289 . . . . . A 6 VAL HB . 19201 1 52 . 1 1 6 6 VAL HG11 H 1 0.84155 0.00602 . . . . . A 6 VAL HG11 . 19201 1 53 . 1 1 6 6 VAL HG12 H 1 0.84155 0.00602 . . . . . A 6 VAL HG12 . 19201 1 54 . 1 1 6 6 VAL HG13 H 1 0.84155 0.00602 . . . . . A 6 VAL HG13 . 19201 1 55 . 1 1 6 6 VAL HG21 H 1 0.84873 0.00395 . . . . . A 6 VAL HG21 . 19201 1 56 . 1 1 6 6 VAL HG22 H 1 0.84873 0.00395 . . . . . A 6 VAL HG22 . 19201 1 57 . 1 1 6 6 VAL HG23 H 1 0.84873 0.00395 . . . . . A 6 VAL HG23 . 19201 1 58 . 1 1 6 6 VAL C C 13 175.68612 0.000 . . . . . A 6 VAL C . 19201 1 59 . 1 1 6 6 VAL CA C 13 61.85521 0.03637 . . . . . A 6 VAL CA . 19201 1 60 . 1 1 6 6 VAL CB C 13 32.99714 0.109 . . . . . A 6 VAL CB . 19201 1 61 . 1 1 6 6 VAL CG1 C 13 19.93253 0.02198 . . . . . A 6 VAL CG1 . 19201 1 62 . 1 1 6 6 VAL CG2 C 13 21.16445 0.01853 . . . . . A 6 VAL CG2 . 19201 1 63 . 1 1 6 6 VAL N N 15 118.76157 0.02002 . . . . . A 6 VAL N . 19201 1 64 . 1 1 7 7 HIS H H 1 8.32344 0.00322 . . . . . A 7 HIS H . 19201 1 65 . 1 1 7 7 HIS HA H 1 4.49927 0.00638 . . . . . A 7 HIS HA . 19201 1 66 . 1 1 7 7 HIS HB2 H 1 2.98968 0.0023 . . . . . A 7 HIS HB2 . 19201 1 67 . 1 1 7 7 HIS HB3 H 1 3.12946 0.00484 . . . . . A 7 HIS HB3 . 19201 1 68 . 1 1 7 7 HIS HD2 H 1 6.99469 0.00139 . . . . . A 7 HIS HD2 . 19201 1 69 . 1 1 7 7 HIS C C 13 174.4559 0.000 . . . . . A 7 HIS C . 19201 1 70 . 1 1 7 7 HIS CA C 13 56.09692 0.04134 . . . . . A 7 HIS CA . 19201 1 71 . 1 1 7 7 HIS CB C 13 30.6242 0.03075 . . . . . A 7 HIS CB . 19201 1 72 . 1 1 7 7 HIS CD2 C 13 120.27575 1.3487E-6 . . . . . A 7 HIS CD2 . 19201 1 73 . 1 1 7 7 HIS N N 15 121.43039 0.01981 . . . . . A 7 HIS N . 19201 1 74 . 1 1 8 8 LYS H H 1 8.51498 0.00261 . . . . . A 8 LYS H . 19201 1 75 . 1 1 8 8 LYS HA H 1 4.3205 0.00318 . . . . . A 8 LYS HA . 19201 1 76 . 1 1 8 8 LYS HB2 H 1 1.30045 0.00556 . . . . . A 8 LYS HB2 . 19201 1 77 . 1 1 8 8 LYS HB3 H 1 1.42244 0.00391 . . . . . A 8 LYS HB3 . 19201 1 78 . 1 1 8 8 LYS HG2 H 1 0.98182 0.00776 . . . . . A 8 LYS HG2 . 19201 1 79 . 1 1 8 8 LYS HG3 H 1 1.14683 0.00719 . . . . . A 8 LYS HG3 . 19201 1 80 . 1 1 8 8 LYS HD2 H 1 1.13943 0.00653 . . . . . A 8 LYS HD2 . 19201 1 81 . 1 1 8 8 LYS HD3 H 1 1.26886 0.00285 . . . . . A 8 LYS HD3 . 19201 1 82 . 1 1 8 8 LYS HE2 H 1 2.52177 1.03238E-7 . . . . . A 8 LYS HE2 . 19201 1 83 . 1 1 8 8 LYS HE3 H 1 2.62408 7.30005E-8 . . . . . A 8 LYS HE3 . 19201 1 84 . 1 1 8 8 LYS C C 13 174.44286 0.000 . . . . . A 8 LYS C . 19201 1 85 . 1 1 8 8 LYS CA C 13 55.89558 0.03808 . . . . . A 8 LYS CA . 19201 1 86 . 1 1 8 8 LYS CB C 13 33.98412 0.04044 . . . . . A 8 LYS CB . 19201 1 87 . 1 1 8 8 LYS CG C 13 24.77864 0.05301 . . . . . A 8 LYS CG . 19201 1 88 . 1 1 8 8 LYS CD C 13 29.25956 0.02072 . . . . . A 8 LYS CD . 19201 1 89 . 1 1 8 8 LYS CE C 13 41.97003 0.01179 . . . . . A 8 LYS CE . 19201 1 90 . 1 1 8 8 LYS N N 15 122.59074 0.03259 . . . . . A 8 LYS N . 19201 1 91 . 1 1 9 9 LYS H H 1 8.38263 0.00384 . . . . . A 9 LYS H . 19201 1 92 . 1 1 9 9 LYS HA H 1 5.17834 0.00393 . . . . . A 9 LYS HA . 19201 1 93 . 1 1 9 9 LYS HB2 H 1 1.59359 0.00475 . . . . . A 9 LYS HB2 . 19201 1 94 . 1 1 9 9 LYS HB3 H 1 1.71132 0.00781 . . . . . A 9 LYS HB3 . 19201 1 95 . 1 1 9 9 LYS HG2 H 1 1.28443 0.00364 . . . . . A 9 LYS HG2 . 19201 1 96 . 1 1 9 9 LYS HG3 H 1 1.59298 0.00494 . . . . . A 9 LYS HG3 . 19201 1 97 . 1 1 9 9 LYS HD2 H 1 1.55297 0.00239 . . . . . A 9 LYS HD2 . 19201 1 98 . 1 1 9 9 LYS HD3 H 1 1.71046 0.00697 . . . . . A 9 LYS HD3 . 19201 1 99 . 1 1 9 9 LYS HE2 H 1 2.94952 0.00446 . . . . . A 9 LYS HE2 . 19201 1 100 . 1 1 9 9 LYS HE3 H 1 2.94952 0.00446 . . . . . A 9 LYS HE3 . 19201 1 101 . 1 1 9 9 LYS C C 13 176.37367 0.000 . . . . . A 9 LYS C . 19201 1 102 . 1 1 9 9 LYS CA C 13 54.57024 0.02591 . . . . . A 9 LYS CA . 19201 1 103 . 1 1 9 9 LYS CB C 13 35.48726 0.04986 . . . . . A 9 LYS CB . 19201 1 104 . 1 1 9 9 LYS CG C 13 23.83098 0.08345 . . . . . A 9 LYS CG . 19201 1 105 . 1 1 9 9 LYS CD C 13 29.28771 0.03014 . . . . . A 9 LYS CD . 19201 1 106 . 1 1 9 9 LYS CE C 13 41.98791 0.02446 . . . . . A 9 LYS CE . 19201 1 107 . 1 1 9 9 LYS N N 15 124.78686 0.02391 . . . . . A 9 LYS N . 19201 1 108 . 1 1 10 10 CYS H H 1 8.99905 0.00452 . . . . . A 10 CYS H . 19201 1 109 . 1 1 10 10 CYS HA H 1 4.81575 0.00234 . . . . . A 10 CYS HA . 19201 1 110 . 1 1 10 10 CYS HB2 H 1 2.97725 0.00561 . . . . . A 10 CYS HB2 . 19201 1 111 . 1 1 10 10 CYS HB3 H 1 3.44066 0.00507 . . . . . A 10 CYS HB3 . 19201 1 112 . 1 1 10 10 CYS CA C 13 57.95957 0.02038 . . . . . A 10 CYS CA . 19201 1 113 . 1 1 10 10 CYS CB C 13 30.73087 0.07391 . . . . . A 10 CYS CB . 19201 1 114 . 1 1 10 10 CYS N N 15 129.69777 0.02314 . . . . . A 10 CYS N . 19201 1 115 . 1 1 11 11 PRO HA H 1 4.58235 0.00233 . . . . . A 11 PRO HA . 19201 1 116 . 1 1 11 11 PRO HB2 H 1 2.05419 0.00327 . . . . . A 11 PRO HB2 . 19201 1 117 . 1 1 11 11 PRO HB3 H 1 2.47079 0.00113 . . . . . A 11 PRO HB3 . 19201 1 118 . 1 1 11 11 PRO HG2 H 1 2.04914 0.00323 . . . . . A 11 PRO HG2 . 19201 1 119 . 1 1 11 11 PRO HG3 H 1 2.27902 0.00176 . . . . . A 11 PRO HG3 . 19201 1 120 . 1 1 11 11 PRO HD2 H 1 4.12684 0.00675 . . . . . A 11 PRO HD2 . 19201 1 121 . 1 1 11 11 PRO HD3 H 1 4.4559 0.00299 . . . . . A 11 PRO HD3 . 19201 1 122 . 1 1 11 11 PRO C C 13 177.21894 0.000 . . . . . A 11 PRO C . 19201 1 123 . 1 1 11 11 PRO CA C 13 64.20061 0.03243 . . . . . A 11 PRO CA . 19201 1 124 . 1 1 11 11 PRO CB C 13 32.321 0.04263 . . . . . A 11 PRO CB . 19201 1 125 . 1 1 11 11 PRO CG C 13 27.24263 0.06342 . . . . . A 11 PRO CG . 19201 1 126 . 1 1 11 11 PRO CD C 13 51.42651 0.03759 . . . . . A 11 PRO CD . 19201 1 127 . 1 1 12 12 LEU H H 1 9.34742 0.00245 . . . . . A 12 LEU H . 19201 1 128 . 1 1 12 12 LEU HA H 1 4.4063 0.00157 . . . . . A 12 LEU HA . 19201 1 129 . 1 1 12 12 LEU HB2 H 1 0.92884 0.00435 . . . . . A 12 LEU HB2 . 19201 1 130 . 1 1 12 12 LEU HB3 H 1 0.92884 0.00435 . . . . . A 12 LEU HB3 . 19201 1 131 . 1 1 12 12 LEU HG H 1 1.39635 0.00149 . . . . . A 12 LEU HG . 19201 1 132 . 1 1 12 12 LEU HD11 H 1 0.74915 0.00643 . . . . . A 12 LEU HD11 . 19201 1 133 . 1 1 12 12 LEU HD12 H 1 0.74915 0.00643 . . . . . A 12 LEU HD12 . 19201 1 134 . 1 1 12 12 LEU HD13 H 1 0.74915 0.00643 . . . . . A 12 LEU HD13 . 19201 1 135 . 1 1 12 12 LEU HD21 H 1 0.78683 0.00841 . . . . . A 12 LEU HD21 . 19201 1 136 . 1 1 12 12 LEU HD22 H 1 0.78683 0.00841 . . . . . A 12 LEU HD22 . 19201 1 137 . 1 1 12 12 LEU HD23 H 1 0.78683 0.00841 . . . . . A 12 LEU HD23 . 19201 1 138 . 1 1 12 12 LEU C C 13 176.49192 0.000 . . . . . A 12 LEU C . 19201 1 139 . 1 1 12 12 LEU CA C 13 55.14396 0.01945 . . . . . A 12 LEU CA . 19201 1 140 . 1 1 12 12 LEU CB C 13 43.24188 0.05374 . . . . . A 12 LEU CB . 19201 1 141 . 1 1 12 12 LEU CG C 13 27.55378 0.00873 . . . . . A 12 LEU CG . 19201 1 142 . 1 1 12 12 LEU CD1 C 13 23.04902 0.0434 . . . . . A 12 LEU CD1 . 19201 1 143 . 1 1 12 12 LEU CD2 C 13 26.04453 0.07549 . . . . . A 12 LEU CD2 . 19201 1 144 . 1 1 12 12 LEU N N 15 121.84568 0.01951 . . . . . A 12 LEU N . 19201 1 145 . 1 1 13 13 CYS H H 1 7.87867 0.00585 . . . . . A 13 CYS H . 19201 1 146 . 1 1 13 13 CYS HA H 1 4.9413 0.00176 . . . . . A 13 CYS HA . 19201 1 147 . 1 1 13 13 CYS HB2 H 1 2.83743 0.00373 . . . . . A 13 CYS HB2 . 19201 1 148 . 1 1 13 13 CYS HB3 H 1 3.34143 0.00719 . . . . . A 13 CYS HB3 . 19201 1 149 . 1 1 13 13 CYS C C 13 173.79244 0.000 . . . . . A 13 CYS C . 19201 1 150 . 1 1 13 13 CYS CA C 13 58.54145 0.02297 . . . . . A 13 CYS CA . 19201 1 151 . 1 1 13 13 CYS CB C 13 30.88905 0.0639 . . . . . A 13 CYS CB . 19201 1 152 . 1 1 13 13 CYS N N 15 119.50893 0.01685 . . . . . A 13 CYS N . 19201 1 153 . 1 1 14 14 GLU H H 1 8.11201 0.00389 . . . . . A 14 GLU H . 19201 1 154 . 1 1 14 14 GLU HA H 1 4.16393 0.00652 . . . . . A 14 GLU HA . 19201 1 155 . 1 1 14 14 GLU HB2 H 1 2.10831 0.00501 . . . . . A 14 GLU HB2 . 19201 1 156 . 1 1 14 14 GLU HB3 H 1 2.22446 8.06619E-4 . . . . . A 14 GLU HB3 . 19201 1 157 . 1 1 14 14 GLU HG2 H 1 2.12753 0.0101 . . . . . A 14 GLU HG2 . 19201 1 158 . 1 1 14 14 GLU HG3 H 1 2.2263 0.00195 . . . . . A 14 GLU HG3 . 19201 1 159 . 1 1 14 14 GLU C C 13 175.83085 0.000 . . . . . A 14 GLU C . 19201 1 160 . 1 1 14 14 GLU CA C 13 57.39883 0.03503 . . . . . A 14 GLU CA . 19201 1 161 . 1 1 14 14 GLU CB C 13 28.73681 0.05751 . . . . . A 14 GLU CB . 19201 1 162 . 1 1 14 14 GLU CG C 13 36.3118 0.08385 . . . . . A 14 GLU CG . 19201 1 163 . 1 1 14 14 GLU N N 15 114.44298 0.01962 . . . . . A 14 GLU N . 19201 1 164 . 1 1 15 15 LEU H H 1 8.40331 0.00629 . . . . . A 15 LEU H . 19201 1 165 . 1 1 15 15 LEU HA H 1 3.86797 0.00368 . . . . . A 15 LEU HA . 19201 1 166 . 1 1 15 15 LEU HB2 H 1 0.99559 0.00623 . . . . . A 15 LEU HB2 . 19201 1 167 . 1 1 15 15 LEU HB3 H 1 1.41234 0.00527 . . . . . A 15 LEU HB3 . 19201 1 168 . 1 1 15 15 LEU HG H 1 1.0078 0.00878 . . . . . A 15 LEU HG . 19201 1 169 . 1 1 15 15 LEU HD11 H 1 0.25698 0.00208 . . . . . A 15 LEU HD11 . 19201 1 170 . 1 1 15 15 LEU HD12 H 1 0.25698 0.00208 . . . . . A 15 LEU HD12 . 19201 1 171 . 1 1 15 15 LEU HD13 H 1 0.25698 0.00208 . . . . . A 15 LEU HD13 . 19201 1 172 . 1 1 15 15 LEU HD21 H 1 0.59527 0.00297 . . . . . A 15 LEU HD21 . 19201 1 173 . 1 1 15 15 LEU HD22 H 1 0.59527 0.00297 . . . . . A 15 LEU HD22 . 19201 1 174 . 1 1 15 15 LEU HD23 H 1 0.59527 0.00297 . . . . . A 15 LEU HD23 . 19201 1 175 . 1 1 15 15 LEU C C 13 174.89975 0.000 . . . . . A 15 LEU C . 19201 1 176 . 1 1 15 15 LEU CA C 13 57.10464 0.02342 . . . . . A 15 LEU CA . 19201 1 177 . 1 1 15 15 LEU CB C 13 43.17028 0.05539 . . . . . A 15 LEU CB . 19201 1 178 . 1 1 15 15 LEU CG C 13 26.31917 0.02528 . . . . . A 15 LEU CG . 19201 1 179 . 1 1 15 15 LEU CD1 C 13 24.47389 0.12179 . . . . . A 15 LEU CD1 . 19201 1 180 . 1 1 15 15 LEU CD2 C 13 23.69598 0.02901 . . . . . A 15 LEU CD2 . 19201 1 181 . 1 1 15 15 LEU N N 15 124.33784 0.03976 . . . . . A 15 LEU N . 19201 1 182 . 1 1 16 16 MET H H 1 7.73833 0.00438 . . . . . A 16 MET H . 19201 1 183 . 1 1 16 16 MET HA H 1 4.96434 0.00593 . . . . . A 16 MET HA . 19201 1 184 . 1 1 16 16 MET HB2 H 1 1.76767 0.00864 . . . . . A 16 MET HB2 . 19201 1 185 . 1 1 16 16 MET HB3 H 1 1.76767 0.00864 . . . . . A 16 MET HB3 . 19201 1 186 . 1 1 16 16 MET HG2 H 1 2.37068 0.00389 . . . . . A 16 MET HG2 . 19201 1 187 . 1 1 16 16 MET HG3 H 1 2.47883 0.00102 . . . . . A 16 MET HG3 . 19201 1 188 . 1 1 16 16 MET HE1 H 1 1.88932 0.00123 . . . . . A 16 MET HE1 . 19201 1 189 . 1 1 16 16 MET HE2 H 1 1.88932 0.00123 . . . . . A 16 MET HE2 . 19201 1 190 . 1 1 16 16 MET HE3 H 1 1.88932 0.00123 . . . . . A 16 MET HE3 . 19201 1 191 . 1 1 16 16 MET C C 13 175.45746 0.000 . . . . . A 16 MET C . 19201 1 192 . 1 1 16 16 MET CA C 13 53.69905 0.03592 . . . . . A 16 MET CA . 19201 1 193 . 1 1 16 16 MET CB C 13 34.77865 0.05764 . . . . . A 16 MET CB . 19201 1 194 . 1 1 16 16 MET CG C 13 31.93809 0.05535 . . . . . A 16 MET CG . 19201 1 195 . 1 1 16 16 MET CE C 13 16.87597 0.000 . . . . . A 16 MET CE . 19201 1 196 . 1 1 16 16 MET N N 15 121.13785 0.02272 . . . . . A 16 MET N . 19201 1 197 . 1 1 17 17 PHE H H 1 8.86791 0.00412 . . . . . A 17 PHE H . 19201 1 198 . 1 1 17 17 PHE HA H 1 4.53377 0.00641 . . . . . A 17 PHE HA . 19201 1 199 . 1 1 17 17 PHE HB2 H 1 2.46528 0.00263 . . . . . A 17 PHE HB2 . 19201 1 200 . 1 1 17 17 PHE HB3 H 1 2.54725 8.9374E-4 . . . . . A 17 PHE HB3 . 19201 1 201 . 1 1 17 17 PHE HD1 H 1 6.60038 0.00359 . . . . . A 17 PHE HD1 . 19201 1 202 . 1 1 17 17 PHE HE1 H 1 6.83548 0.00279 . . . . . A 17 PHE HE1 . 19201 1 203 . 1 1 17 17 PHE HZ H 1 6.47613 0.00307 . . . . . A 17 PHE HZ . 19201 1 204 . 1 1 17 17 PHE CA C 13 55.5699 0.01755 . . . . . A 17 PHE CA . 19201 1 205 . 1 1 17 17 PHE CB C 13 39.80101 0.02689 . . . . . A 17 PHE CB . 19201 1 206 . 1 1 17 17 PHE CD1 C 13 131.93704 7.62939E-6 . . . . . A 17 PHE CD1 . 19201 1 207 . 1 1 17 17 PHE CE1 C 13 130.32358 6.60725E-6 . . . . . A 17 PHE CE1 . 19201 1 208 . 1 1 17 17 PHE CZ C 13 129.10295 1.90735E-6 . . . . . A 17 PHE CZ . 19201 1 209 . 1 1 17 17 PHE N N 15 122.41662 0.01763 . . . . . A 17 PHE N . 19201 1 210 . 1 1 18 18 PRO HA H 1 4.55719 0.00791 . . . . . A 18 PRO HA . 19201 1 211 . 1 1 18 18 PRO HB2 H 1 2.03977 0.00432 . . . . . A 18 PRO HB2 . 19201 1 212 . 1 1 18 18 PRO HB3 H 1 2.41028 0.00462 . . . . . A 18 PRO HB3 . 19201 1 213 . 1 1 18 18 PRO HG2 H 1 2.14082 0.00488 . . . . . A 18 PRO HG2 . 19201 1 214 . 1 1 18 18 PRO HG3 H 1 2.14082 0.00488 . . . . . A 18 PRO HG3 . 19201 1 215 . 1 1 18 18 PRO HD2 H 1 3.51961 0.01204 . . . . . A 18 PRO HD2 . 19201 1 216 . 1 1 18 18 PRO HD3 H 1 3.75586 0.0051 . . . . . A 18 PRO HD3 . 19201 1 217 . 1 1 18 18 PRO CA C 13 61.59596 0.02465 . . . . . A 18 PRO CA . 19201 1 218 . 1 1 18 18 PRO CB C 13 31.06528 0.10735 . . . . . A 18 PRO CB . 19201 1 219 . 1 1 18 18 PRO CG C 13 27.53533 0.03922 . . . . . A 18 PRO CG . 19201 1 220 . 1 1 18 18 PRO CD C 13 50.47422 0.05099 . . . . . A 18 PRO CD . 19201 1 221 . 1 1 19 19 PRO HA H 1 4.22124 0.00396 . . . . . A 19 PRO HA . 19201 1 222 . 1 1 19 19 PRO HB2 H 1 1.81991 0.003 . . . . . A 19 PRO HB2 . 19201 1 223 . 1 1 19 19 PRO HB3 H 1 2.15403 0.00231 . . . . . A 19 PRO HB3 . 19201 1 224 . 1 1 19 19 PRO HG2 H 1 1.7407 0.00302 . . . . . A 19 PRO HG2 . 19201 1 225 . 1 1 19 19 PRO HG3 H 1 1.97244 0.00312 . . . . . A 19 PRO HG3 . 19201 1 226 . 1 1 19 19 PRO HD2 H 1 3.3243 0.003 . . . . . A 19 PRO HD2 . 19201 1 227 . 1 1 19 19 PRO HD3 H 1 3.57672 0.00856 . . . . . A 19 PRO HD3 . 19201 1 228 . 1 1 19 19 PRO C C 13 176.89947 0.000 . . . . . A 19 PRO C . 19201 1 229 . 1 1 19 19 PRO CA C 13 64.17264 0.0276 . . . . . A 19 PRO CA . 19201 1 230 . 1 1 19 19 PRO CB C 13 31.83011 0.03348 . . . . . A 19 PRO CB . 19201 1 231 . 1 1 19 19 PRO CG C 13 27.66427 0.05539 . . . . . A 19 PRO CG . 19201 1 232 . 1 1 19 19 PRO CD C 13 50.0527 0.035 . . . . . A 19 PRO CD . 19201 1 233 . 1 1 20 20 ASN H H 1 8.32954 0.00357 . . . . . A 20 ASN H . 19201 1 234 . 1 1 20 20 ASN HA H 1 4.5615 0.00189 . . . . . A 20 ASN HA . 19201 1 235 . 1 1 20 20 ASN HB2 H 1 2.82485 0.00425 . . . . . A 20 ASN HB2 . 19201 1 236 . 1 1 20 20 ASN HB3 H 1 2.95298 0.00269 . . . . . A 20 ASN HB3 . 19201 1 237 . 1 1 20 20 ASN HD21 H 1 6.87961 0.00335 . . . . . A 20 ASN HD21 . 19201 1 238 . 1 1 20 20 ASN HD22 H 1 7.59507 0.00252 . . . . . A 20 ASN HD22 . 19201 1 239 . 1 1 20 20 ASN C C 13 174.73742 0.000 . . . . . A 20 ASN C . 19201 1 240 . 1 1 20 20 ASN CA C 13 52.88413 0.04187 . . . . . A 20 ASN CA . 19201 1 241 . 1 1 20 20 ASN CB C 13 37.27063 0.04441 . . . . . A 20 ASN CB . 19201 1 242 . 1 1 20 20 ASN N N 15 113.73064 0.01014 . . . . . A 20 ASN N . 19201 1 243 . 1 1 20 20 ASN ND2 N 15 112.85559 0.04036 . . . . . A 20 ASN ND2 . 19201 1 244 . 1 1 21 21 TYR H H 1 7.66573 0.00277 . . . . . A 21 TYR H . 19201 1 245 . 1 1 21 21 TYR HA H 1 4.20384 0.00164 . . . . . A 21 TYR HA . 19201 1 246 . 1 1 21 21 TYR HB2 H 1 2.73614 0.00498 . . . . . A 21 TYR HB2 . 19201 1 247 . 1 1 21 21 TYR HB3 H 1 3.28531 0.00536 . . . . . A 21 TYR HB3 . 19201 1 248 . 1 1 21 21 TYR HD1 H 1 6.9974 0.0048 . . . . . A 21 TYR HD1 . 19201 1 249 . 1 1 21 21 TYR HE1 H 1 6.55679 0.00214 . . . . . A 21 TYR HE1 . 19201 1 250 . 1 1 21 21 TYR C C 13 174.91583 0.000 . . . . . A 21 TYR C . 19201 1 251 . 1 1 21 21 TYR CA C 13 58.94115 0.0504 . . . . . A 21 TYR CA . 19201 1 252 . 1 1 21 21 TYR CB C 13 39.45416 0.01733 . . . . . A 21 TYR CB . 19201 1 253 . 1 1 21 21 TYR CD1 C 13 133.58597 0.04181 . . . . . A 21 TYR CD1 . 19201 1 254 . 1 1 21 21 TYR CE1 C 13 118.56842 0.12707 . . . . . A 21 TYR CE1 . 19201 1 255 . 1 1 21 21 TYR N N 15 121.54831 0.01164 . . . . . A 21 TYR N . 19201 1 256 . 1 1 22 22 ASP H H 1 7.83185 0.00224 . . . . . A 22 ASP H . 19201 1 257 . 1 1 22 22 ASP HA H 1 4.26384 0.00392 . . . . . A 22 ASP HA . 19201 1 258 . 1 1 22 22 ASP HB2 H 1 2.31855 0.00347 . . . . . A 22 ASP HB2 . 19201 1 259 . 1 1 22 22 ASP HB3 H 1 2.45878 0.00467 . . . . . A 22 ASP HB3 . 19201 1 260 . 1 1 22 22 ASP C C 13 176.53596 0.000 . . . . . A 22 ASP C . 19201 1 261 . 1 1 22 22 ASP CA C 13 54.92697 0.04452 . . . . . A 22 ASP CA . 19201 1 262 . 1 1 22 22 ASP CB C 13 42.32697 0.05228 . . . . . A 22 ASP CB . 19201 1 263 . 1 1 22 22 ASP N N 15 126.19089 0.01502 . . . . . A 22 ASP N . 19201 1 264 . 1 1 23 23 GLN H H 1 8.89066 0.00318 . . . . . A 23 GLN H . 19201 1 265 . 1 1 23 23 GLN HA H 1 3.99021 0.00285 . . . . . A 23 GLN HA . 19201 1 266 . 1 1 23 23 GLN HB2 H 1 1.99494 4.8503E-4 . . . . . A 23 GLN HB2 . 19201 1 267 . 1 1 23 23 GLN HB3 H 1 2.22 1.35113E-4 . . . . . A 23 GLN HB3 . 19201 1 268 . 1 1 23 23 GLN HG2 H 1 2.45957 0.00558 . . . . . A 23 GLN HG2 . 19201 1 269 . 1 1 23 23 GLN HG3 H 1 2.45957 0.00558 . . . . . A 23 GLN HG3 . 19201 1 270 . 1 1 23 23 GLN HE21 H 1 6.78401 0.00111 . . . . . A 23 GLN HE21 . 19201 1 271 . 1 1 23 23 GLN HE22 H 1 8.0322 0.00122 . . . . . A 23 GLN HE22 . 19201 1 272 . 1 1 23 23 GLN C C 13 178.01088 0.000 . . . . . A 23 GLN C . 19201 1 273 . 1 1 23 23 GLN CA C 13 58.95463 0.01981 . . . . . A 23 GLN CA . 19201 1 274 . 1 1 23 23 GLN CB C 13 27.982 0.04295 . . . . . A 23 GLN CB . 19201 1 275 . 1 1 23 23 GLN CG C 13 32.63429 0.06212 . . . . . A 23 GLN CG . 19201 1 276 . 1 1 23 23 GLN N N 15 127.7937 0.01227 . . . . . A 23 GLN N . 19201 1 277 . 1 1 23 23 GLN NE2 N 15 112.2364 0.0044 . . . . . A 23 GLN NE2 . 19201 1 278 . 1 1 24 24 SER H H 1 8.47884 0.00461 . . . . . A 24 SER H . 19201 1 279 . 1 1 24 24 SER HA H 1 4.29788 0.00216 . . . . . A 24 SER HA . 19201 1 280 . 1 1 24 24 SER HB2 H 1 3.94648 0.00341 . . . . . A 24 SER HB2 . 19201 1 281 . 1 1 24 24 SER HB3 H 1 3.94648 0.00341 . . . . . A 24 SER HB3 . 19201 1 282 . 1 1 24 24 SER C C 13 177.41877 0.000 . . . . . A 24 SER C . 19201 1 283 . 1 1 24 24 SER CA C 13 61.97493 0.02906 . . . . . A 24 SER CA . 19201 1 284 . 1 1 24 24 SER CB C 13 61.97502 0.07651 . . . . . A 24 SER CB . 19201 1 285 . 1 1 24 24 SER N N 15 115.54237 0.01484 . . . . . A 24 SER N . 19201 1 286 . 1 1 25 25 LYS H H 1 7.73391 0.00315 . . . . . A 25 LYS H . 19201 1 287 . 1 1 25 25 LYS HA H 1 4.17928 0.00611 . . . . . A 25 LYS HA . 19201 1 288 . 1 1 25 25 LYS HB2 H 1 1.77679 0.00752 . . . . . A 25 LYS HB2 . 19201 1 289 . 1 1 25 25 LYS HB3 H 1 1.9 0.00559 . . . . . A 25 LYS HB3 . 19201 1 290 . 1 1 25 25 LYS HG2 H 1 1.40799 0.00556 . . . . . A 25 LYS HG2 . 19201 1 291 . 1 1 25 25 LYS HG3 H 1 1.47334 0.00545 . . . . . A 25 LYS HG3 . 19201 1 292 . 1 1 25 25 LYS HD2 H 1 1.5279 0.00187 . . . . . A 25 LYS HD2 . 19201 1 293 . 1 1 25 25 LYS HD3 H 1 1.62285 0.0079 . . . . . A 25 LYS HD3 . 19201 1 294 . 1 1 25 25 LYS HE2 H 1 2.93784 0.01189 . . . . . A 25 LYS HE2 . 19201 1 295 . 1 1 25 25 LYS HE3 H 1 2.95148 0.01185 . . . . . A 25 LYS HE3 . 19201 1 296 . 1 1 25 25 LYS C C 13 180.06449 0.000 . . . . . A 25 LYS C . 19201 1 297 . 1 1 25 25 LYS CA C 13 58.30532 0.03138 . . . . . A 25 LYS CA . 19201 1 298 . 1 1 25 25 LYS CB C 13 31.67122 0.04735 . . . . . A 25 LYS CB . 19201 1 299 . 1 1 25 25 LYS CG C 13 25.13344 0.04012 . . . . . A 25 LYS CG . 19201 1 300 . 1 1 25 25 LYS CD C 13 28.40562 0.03388 . . . . . A 25 LYS CD . 19201 1 301 . 1 1 25 25 LYS CE C 13 42.08272 0.00655 . . . . . A 25 LYS CE . 19201 1 302 . 1 1 25 25 LYS N N 15 123.09935 0.01968 . . . . . A 25 LYS N . 19201 1 303 . 1 1 26 26 PHE H H 1 8.41367 0.00199 . . . . . A 26 PHE H . 19201 1 304 . 1 1 26 26 PHE HA H 1 3.85024 0.00277 . . . . . A 26 PHE HA . 19201 1 305 . 1 1 26 26 PHE HB2 H 1 2.77169 0.0048 . . . . . A 26 PHE HB2 . 19201 1 306 . 1 1 26 26 PHE HB3 H 1 3.2513 0.01019 . . . . . A 26 PHE HB3 . 19201 1 307 . 1 1 26 26 PHE HD2 H 1 6.4955 0.00282 . . . . . A 26 PHE HD2 . 19201 1 308 . 1 1 26 26 PHE HE2 H 1 7.12062 0.00447 . . . . . A 26 PHE HE2 . 19201 1 309 . 1 1 26 26 PHE HZ H 1 7.26168 0.00224 . . . . . A 26 PHE HZ . 19201 1 310 . 1 1 26 26 PHE C C 13 176.46888 0.000 . . . . . A 26 PHE C . 19201 1 311 . 1 1 26 26 PHE CA C 13 61.75863 0.02263 . . . . . A 26 PHE CA . 19201 1 312 . 1 1 26 26 PHE CB C 13 39.16274 0.0726 . . . . . A 26 PHE CB . 19201 1 313 . 1 1 26 26 PHE CD2 C 13 131.44226 5.3948E-6 . . . . . A 26 PHE CD2 . 19201 1 314 . 1 1 26 26 PHE CE2 C 13 131.28799 3.30362E-6 . . . . . A 26 PHE CE2 . 19201 1 315 . 1 1 26 26 PHE CZ C 13 129.67578 2.6974E-6 . . . . . A 26 PHE CZ . 19201 1 316 . 1 1 26 26 PHE N N 15 123.74609 0.02331 . . . . . A 26 PHE N . 19201 1 317 . 1 1 27 27 GLU H H 1 8.49691 0.00316 . . . . . A 27 GLU H . 19201 1 318 . 1 1 27 27 GLU HA H 1 3.74099 0.0027 . . . . . A 27 GLU HA . 19201 1 319 . 1 1 27 27 GLU HB2 H 1 2.05062 0.00701 . . . . . A 27 GLU HB2 . 19201 1 320 . 1 1 27 27 GLU HB3 H 1 2.15894 0.00257 . . . . . A 27 GLU HB3 . 19201 1 321 . 1 1 27 27 GLU HG2 H 1 2.4169 0.00378 . . . . . A 27 GLU HG2 . 19201 1 322 . 1 1 27 27 GLU HG3 H 1 2.66137 0.0036 . . . . . A 27 GLU HG3 . 19201 1 323 . 1 1 27 27 GLU C C 13 178.777 0.000 . . . . . A 27 GLU C . 19201 1 324 . 1 1 27 27 GLU CA C 13 59.61652 0.02628 . . . . . A 27 GLU CA . 19201 1 325 . 1 1 27 27 GLU CB C 13 28.68187 0.04032 . . . . . A 27 GLU CB . 19201 1 326 . 1 1 27 27 GLU CG C 13 36.44871 0.03968 . . . . . A 27 GLU CG . 19201 1 327 . 1 1 27 27 GLU N N 15 118.95722 0.0183 . . . . . A 27 GLU N . 19201 1 328 . 1 1 28 28 GLU H H 1 7.96748 0.00185 . . . . . A 28 GLU H . 19201 1 329 . 1 1 28 28 GLU HA H 1 3.9215 0.00276 . . . . . A 28 GLU HA . 19201 1 330 . 1 1 28 28 GLU HB2 H 1 2.07835 0.00542 . . . . . A 28 GLU HB2 . 19201 1 331 . 1 1 28 28 GLU HB3 H 1 2.16279 0.00319 . . . . . A 28 GLU HB3 . 19201 1 332 . 1 1 28 28 GLU HG2 H 1 2.16498 0.00395 . . . . . A 28 GLU HG2 . 19201 1 333 . 1 1 28 28 GLU HG3 H 1 2.41207 0.00425 . . . . . A 28 GLU HG3 . 19201 1 334 . 1 1 28 28 GLU C C 13 179.24069 0.000 . . . . . A 28 GLU C . 19201 1 335 . 1 1 28 28 GLU CA C 13 59.24456 0.04781 . . . . . A 28 GLU CA . 19201 1 336 . 1 1 28 28 GLU CB C 13 29.75904 0.04035 . . . . . A 28 GLU CB . 19201 1 337 . 1 1 28 28 GLU CG C 13 36.32032 0.09008 . . . . . A 28 GLU CG . 19201 1 338 . 1 1 28 28 GLU N N 15 118.81203 0.01368 . . . . . A 28 GLU N . 19201 1 339 . 1 1 29 29 HIS H H 1 7.79052 0.00462 . . . . . A 29 HIS H . 19201 1 340 . 1 1 29 29 HIS HA H 1 4.143 0.0032 . . . . . A 29 HIS HA . 19201 1 341 . 1 1 29 29 HIS HB2 H 1 3.34427 0.00421 . . . . . A 29 HIS HB2 . 19201 1 342 . 1 1 29 29 HIS HB3 H 1 3.4756 0.00563 . . . . . A 29 HIS HB3 . 19201 1 343 . 1 1 29 29 HIS HD2 H 1 7.10283 0.00217 . . . . . A 29 HIS HD2 . 19201 1 344 . 1 1 29 29 HIS HE1 H 1 7.81221 0.00339 . . . . . A 29 HIS HE1 . 19201 1 345 . 1 1 29 29 HIS C C 13 178.48417 0.000 . . . . . A 29 HIS C . 19201 1 346 . 1 1 29 29 HIS CA C 13 60.35477 0.02365 . . . . . A 29 HIS CA . 19201 1 347 . 1 1 29 29 HIS CB C 13 27.06109 0.06448 . . . . . A 29 HIS CB . 19201 1 348 . 1 1 29 29 HIS CD2 C 13 128.34473 5.72205E-6 . . . . . A 29 HIS CD2 . 19201 1 349 . 1 1 29 29 HIS CE1 C 13 140.2592 0.03434 . . . . . A 29 HIS CE1 . 19201 1 350 . 1 1 29 29 HIS N N 15 118.11705 0.01149 . . . . . A 29 HIS N . 19201 1 351 . 1 1 30 30 VAL H H 1 8.20199 0.00367 . . . . . A 30 VAL H . 19201 1 352 . 1 1 30 30 VAL HA H 1 3.40829 0.00334 . . . . . A 30 VAL HA . 19201 1 353 . 1 1 30 30 VAL HB H 1 1.98159 0.00393 . . . . . A 30 VAL HB . 19201 1 354 . 1 1 30 30 VAL HG11 H 1 0.81236 0.00213 . . . . . A 30 VAL HG11 . 19201 1 355 . 1 1 30 30 VAL HG12 H 1 0.81236 0.00213 . . . . . A 30 VAL HG12 . 19201 1 356 . 1 1 30 30 VAL HG13 H 1 0.81236 0.00213 . . . . . A 30 VAL HG13 . 19201 1 357 . 1 1 30 30 VAL HG21 H 1 0.99039 0.00579 . . . . . A 30 VAL HG21 . 19201 1 358 . 1 1 30 30 VAL HG22 H 1 0.99039 0.00579 . . . . . A 30 VAL HG22 . 19201 1 359 . 1 1 30 30 VAL HG23 H 1 0.99039 0.00579 . . . . . A 30 VAL HG23 . 19201 1 360 . 1 1 30 30 VAL C C 13 178.30281 0.000 . . . . . A 30 VAL C . 19201 1 361 . 1 1 30 30 VAL CA C 13 67.87486 0.04318 . . . . . A 30 VAL CA . 19201 1 362 . 1 1 30 30 VAL CB C 13 31.76682 0.04537 . . . . . A 30 VAL CB . 19201 1 363 . 1 1 30 30 VAL CG1 C 13 22.42421 0.01439 . . . . . A 30 VAL CG1 . 19201 1 364 . 1 1 30 30 VAL CG2 C 13 21.74307 0.05548 . . . . . A 30 VAL CG2 . 19201 1 365 . 1 1 30 30 VAL N N 15 122.41596 0.01098 . . . . . A 30 VAL N . 19201 1 366 . 1 1 31 31 GLU H H 1 7.96921 0.00429 . . . . . A 31 GLU H . 19201 1 367 . 1 1 31 31 GLU HA H 1 3.72531 0.00407 . . . . . A 31 GLU HA . 19201 1 368 . 1 1 31 31 GLU HB2 H 1 1.89342 0.00374 . . . . . A 31 GLU HB2 . 19201 1 369 . 1 1 31 31 GLU HB3 H 1 1.89342 0.00374 . . . . . A 31 GLU HB3 . 19201 1 370 . 1 1 31 31 GLU HG2 H 1 2.01252 0.00417 . . . . . A 31 GLU HG2 . 19201 1 371 . 1 1 31 31 GLU HG3 H 1 2.30088 0.0047 . . . . . A 31 GLU HG3 . 19201 1 372 . 1 1 31 31 GLU C C 13 178.07123 0.000 . . . . . A 31 GLU C . 19201 1 373 . 1 1 31 31 GLU CA C 13 58.02705 0.0478 . . . . . A 31 GLU CA . 19201 1 374 . 1 1 31 31 GLU CB C 13 28.77069 0.03394 . . . . . A 31 GLU CB . 19201 1 375 . 1 1 31 31 GLU CG C 13 35.66475 0.07894 . . . . . A 31 GLU CG . 19201 1 376 . 1 1 31 31 GLU N N 15 115.74633 0.01968 . . . . . A 31 GLU N . 19201 1 377 . 1 1 32 32 SER H H 1 7.584 0.00286 . . . . . A 32 SER H . 19201 1 378 . 1 1 32 32 SER HA H 1 4.22282 0.00297 . . . . . A 32 SER HA . 19201 1 379 . 1 1 32 32 SER HB2 H 1 3.85569 0.00403 . . . . . A 32 SER HB2 . 19201 1 380 . 1 1 32 32 SER HB3 H 1 3.8557 0.00403 . . . . . A 32 SER HB3 . 19201 1 381 . 1 1 32 32 SER C C 13 174.85524 0.000 . . . . . A 32 SER C . 19201 1 382 . 1 1 32 32 SER CA C 13 60.64481 0.02654 . . . . . A 32 SER CA . 19201 1 383 . 1 1 32 32 SER CB C 13 62.81534 0.0483 . . . . . A 32 SER CB . 19201 1 384 . 1 1 32 32 SER N N 15 115.84527 0.01904 . . . . . A 32 SER N . 19201 1 385 . 1 1 33 33 HIS H H 1 7.28613 0.00437 . . . . . A 33 HIS H . 19201 1 386 . 1 1 33 33 HIS HA H 1 4.44891 0.00221 . . . . . A 33 HIS HA . 19201 1 387 . 1 1 33 33 HIS HB2 H 1 3.00688 0.00743 . . . . . A 33 HIS HB2 . 19201 1 388 . 1 1 33 33 HIS HB3 H 1 3.09486 0.00498 . . . . . A 33 HIS HB3 . 19201 1 389 . 1 1 33 33 HIS HD2 H 1 6.77659 0.00715 . . . . . A 33 HIS HD2 . 19201 1 390 . 1 1 33 33 HIS HE1 H 1 7.90751 0.00233 . . . . . A 33 HIS HE1 . 19201 1 391 . 1 1 33 33 HIS C C 13 175.5242 0.000 . . . . . A 33 HIS C . 19201 1 392 . 1 1 33 33 HIS CA C 13 57.02554 0.05105 . . . . . A 33 HIS CA . 19201 1 393 . 1 1 33 33 HIS CB C 13 29.30339 0.04342 . . . . . A 33 HIS CB . 19201 1 394 . 1 1 33 33 HIS CE1 C 13 139.93689 0.03863 . . . . . A 33 HIS CE1 . 19201 1 395 . 1 1 33 33 HIS N N 15 118.63491 0.0263 . . . . . A 33 HIS N . 19201 1 396 . 1 1 34 34 TRP H H 1 7.94878 0.0042 . . . . . A 34 TRP H . 19201 1 397 . 1 1 34 34 TRP HA H 1 4.33566 0.00325 . . . . . A 34 TRP HA . 19201 1 398 . 1 1 34 34 TRP HB2 H 1 3.15297 0.00253 . . . . . A 34 TRP HB2 . 19201 1 399 . 1 1 34 34 TRP HB3 H 1 3.15297 0.00253 . . . . . A 34 TRP HB3 . 19201 1 400 . 1 1 34 34 TRP HD1 H 1 7.23348 0.00599 . . . . . A 34 TRP HD1 . 19201 1 401 . 1 1 34 34 TRP HE1 H 1 10.03719 0.00491 . . . . . A 34 TRP HE1 . 19201 1 402 . 1 1 34 34 TRP HE3 H 1 7.35653 0.00279 . . . . . A 34 TRP HE3 . 19201 1 403 . 1 1 34 34 TRP HZ2 H 1 7.43282 0.00144 . . . . . A 34 TRP HZ2 . 19201 1 404 . 1 1 34 34 TRP HZ3 H 1 6.92792 0.00727 . . . . . A 34 TRP HZ3 . 19201 1 405 . 1 1 34 34 TRP HH2 H 1 7.15714 0.00308 . . . . . A 34 TRP HH2 . 19201 1 406 . 1 1 34 34 TRP C C 13 175.64398 0.000 . . . . . A 34 TRP C . 19201 1 407 . 1 1 34 34 TRP CA C 13 58.32397 0.03369 . . . . . A 34 TRP CA . 19201 1 408 . 1 1 34 34 TRP CB C 13 29.26231 0.07669 . . . . . A 34 TRP CB . 19201 1 409 . 1 1 34 34 TRP CD1 C 13 126.69646 0.26817 . . . . . A 34 TRP CD1 . 19201 1 410 . 1 1 34 34 TRP CE3 C 13 121.33689 0.19567 . . . . . A 34 TRP CE3 . 19201 1 411 . 1 1 34 34 TRP CZ2 C 13 114.55635 0.06681 . . . . . A 34 TRP CZ2 . 19201 1 412 . 1 1 34 34 TRP CZ3 C 13 121.32062 0.0103 . . . . . A 34 TRP CZ3 . 19201 1 413 . 1 1 34 34 TRP CH2 C 13 124.79462 0.03333 . . . . . A 34 TRP CH2 . 19201 1 414 . 1 1 34 34 TRP N N 15 121.21854 0.02168 . . . . . A 34 TRP N . 19201 1 415 . 1 1 34 34 TRP NE1 N 15 128.65632 0.02094 . . . . . A 34 TRP NE1 . 19201 1 416 . 1 1 35 35 LYS H H 1 8.58085 0.00355 . . . . . A 35 LYS H . 19201 1 417 . 1 1 35 35 LYS HA H 1 4.34035 0.00785 . . . . . A 35 LYS HA . 19201 1 418 . 1 1 35 35 LYS HB2 H 1 0.86379 0.00547 . . . . . A 35 LYS HB2 . 19201 1 419 . 1 1 35 35 LYS HB3 H 1 1.29529 0.00261 . . . . . A 35 LYS HB3 . 19201 1 420 . 1 1 35 35 LYS HG2 H 1 0.92634 0.00475 . . . . . A 35 LYS HG2 . 19201 1 421 . 1 1 35 35 LYS HG3 H 1 1.11475 0.00784 . . . . . A 35 LYS HG3 . 19201 1 422 . 1 1 35 35 LYS HD2 H 1 1.11321 0.00284 . . . . . A 35 LYS HD2 . 19201 1 423 . 1 1 35 35 LYS HD3 H 1 1.11321 0.00284 . . . . . A 35 LYS HD3 . 19201 1 424 . 1 1 35 35 LYS C C 13 175.28638 0.000 . . . . . A 35 LYS C . 19201 1 425 . 1 1 35 35 LYS CA C 13 55.60557 0.02406 . . . . . A 35 LYS CA . 19201 1 426 . 1 1 35 35 LYS CB C 13 33.38526 0.05437 . . . . . A 35 LYS CB . 19201 1 427 . 1 1 35 35 LYS CG C 13 24.85066 0.07254 . . . . . A 35 LYS CG . 19201 1 428 . 1 1 35 35 LYS CD C 13 29.25541 0.000 . . . . . A 35 LYS CD . 19201 1 429 . 1 1 35 35 LYS N N 15 122.87153 0.02854 . . . . . A 35 LYS N . 19201 1 430 . 1 1 36 36 VAL H H 1 8.313 0.00229 . . . . . A 36 VAL H . 19201 1 431 . 1 1 36 36 VAL HA H 1 4.93114 0.00477 . . . . . A 36 VAL HA . 19201 1 432 . 1 1 36 36 VAL HB H 1 1.93017 0.00309 . . . . . A 36 VAL HB . 19201 1 433 . 1 1 36 36 VAL HG11 H 1 0.86061 0.0077 . . . . . A 36 VAL HG11 . 19201 1 434 . 1 1 36 36 VAL HG12 H 1 0.86061 0.0077 . . . . . A 36 VAL HG12 . 19201 1 435 . 1 1 36 36 VAL HG13 H 1 0.86061 0.0077 . . . . . A 36 VAL HG13 . 19201 1 436 . 1 1 36 36 VAL HG21 H 1 0.87561 0.00927 . . . . . A 36 VAL HG21 . 19201 1 437 . 1 1 36 36 VAL HG22 H 1 0.87561 0.00927 . . . . . A 36 VAL HG22 . 19201 1 438 . 1 1 36 36 VAL HG23 H 1 0.87561 0.00927 . . . . . A 36 VAL HG23 . 19201 1 439 . 1 1 36 36 VAL C C 13 176.31976 0.000 . . . . . A 36 VAL C . 19201 1 440 . 1 1 36 36 VAL CA C 13 60.35489 0.03803 . . . . . A 36 VAL CA . 19201 1 441 . 1 1 36 36 VAL CB C 13 34.60686 0.05526 . . . . . A 36 VAL CB . 19201 1 442 . 1 1 36 36 VAL CG1 C 13 21.01248 4.76837E-7 . . . . . A 36 VAL CG1 . 19201 1 443 . 1 1 36 36 VAL CG2 C 13 21.01248 4.76837E-7 . . . . . A 36 VAL CG2 . 19201 1 444 . 1 1 36 36 VAL N N 15 122.38595 0.02729 . . . . . A 36 VAL N . 19201 1 445 . 1 1 37 37 CYS H H 1 9.16489 0.00294 . . . . . A 37 CYS H . 19201 1 446 . 1 1 37 37 CYS HA H 1 4.90352 0.00142 . . . . . A 37 CYS HA . 19201 1 447 . 1 1 37 37 CYS HB2 H 1 3.05074 0.0044 . . . . . A 37 CYS HB2 . 19201 1 448 . 1 1 37 37 CYS HB3 H 1 3.49222 0.00355 . . . . . A 37 CYS HB3 . 19201 1 449 . 1 1 37 37 CYS CA C 13 57.45979 0.01697 . . . . . A 37 CYS CA . 19201 1 450 . 1 1 37 37 CYS CB C 13 30.63815 0.05489 . . . . . A 37 CYS CB . 19201 1 451 . 1 1 37 37 CYS N N 15 130.37817 0.02241 . . . . . A 37 CYS N . 19201 1 452 . 1 1 38 38 PRO HA H 1 4.58276 0.00131 . . . . . A 38 PRO HA . 19201 1 453 . 1 1 38 38 PRO HB2 H 1 2.09979 0.00204 . . . . . A 38 PRO HB2 . 19201 1 454 . 1 1 38 38 PRO HB3 H 1 2.47015 2.09409E-4 . . . . . A 38 PRO HB3 . 19201 1 455 . 1 1 38 38 PRO HG2 H 1 2.0374 0.00637 . . . . . A 38 PRO HG2 . 19201 1 456 . 1 1 38 38 PRO HG3 H 1 2.29586 0.00989 . . . . . A 38 PRO HG3 . 19201 1 457 . 1 1 38 38 PRO HD2 H 1 4.25442 0.00304 . . . . . A 38 PRO HD2 . 19201 1 458 . 1 1 38 38 PRO HD3 H 1 4.39881 0.00481 . . . . . A 38 PRO HD3 . 19201 1 459 . 1 1 38 38 PRO C C 13 176.93274 0.000 . . . . . A 38 PRO C . 19201 1 460 . 1 1 38 38 PRO CA C 13 64.21981 0.06833 . . . . . A 38 PRO CA . 19201 1 461 . 1 1 38 38 PRO CB C 13 32.31528 0.03436 . . . . . A 38 PRO CB . 19201 1 462 . 1 1 38 38 PRO CG C 13 27.22038 0.04691 . . . . . A 38 PRO CG . 19201 1 463 . 1 1 38 38 PRO CD C 13 51.51284 0.014 . . . . . A 38 PRO CD . 19201 1 464 . 1 1 39 39 MET H H 1 9.05403 0.00358 . . . . . A 39 MET H . 19201 1 465 . 1 1 39 39 MET HA H 1 4.53412 0.00169 . . . . . A 39 MET HA . 19201 1 466 . 1 1 39 39 MET HB2 H 1 1.06806 0.00521 . . . . . A 39 MET HB2 . 19201 1 467 . 1 1 39 39 MET HB3 H 1 1.38387 0.00358 . . . . . A 39 MET HB3 . 19201 1 468 . 1 1 39 39 MET HG2 H 1 2.21597 0.00537 . . . . . A 39 MET HG2 . 19201 1 469 . 1 1 39 39 MET HG3 H 1 2.28419 0.00515 . . . . . A 39 MET HG3 . 19201 1 470 . 1 1 39 39 MET HE1 H 1 1.87779 0.00135 . . . . . A 39 MET HE1 . 19201 1 471 . 1 1 39 39 MET HE2 H 1 1.87779 0.00135 . . . . . A 39 MET HE2 . 19201 1 472 . 1 1 39 39 MET HE3 H 1 1.87779 0.00135 . . . . . A 39 MET HE3 . 19201 1 473 . 1 1 39 39 MET C C 13 176.45353 0.000 . . . . . A 39 MET C . 19201 1 474 . 1 1 39 39 MET CA C 13 55.97079 0.04072 . . . . . A 39 MET CA . 19201 1 475 . 1 1 39 39 MET CB C 13 32.53895 0.12818 . . . . . A 39 MET CB . 19201 1 476 . 1 1 39 39 MET CG C 13 32.70068 0.0888 . . . . . A 39 MET CG . 19201 1 477 . 1 1 39 39 MET CE C 13 17.60149 5.3312E-7 . . . . . A 39 MET CE . 19201 1 478 . 1 1 39 39 MET N N 15 119.18046 0.01461 . . . . . A 39 MET N . 19201 1 479 . 1 1 40 40 CYS H H 1 8.0958 0.00303 . . . . . A 40 CYS H . 19201 1 480 . 1 1 40 40 CYS HA H 1 5.02295 0.00339 . . . . . A 40 CYS HA . 19201 1 481 . 1 1 40 40 CYS HB2 H 1 2.67948 0.00291 . . . . . A 40 CYS HB2 . 19201 1 482 . 1 1 40 40 CYS HB3 H 1 3.4371 0.00543 . . . . . A 40 CYS HB3 . 19201 1 483 . 1 1 40 40 CYS C C 13 175.28798 0.000 . . . . . A 40 CYS C . 19201 1 484 . 1 1 40 40 CYS CA C 13 58.57031 0.05369 . . . . . A 40 CYS CA . 19201 1 485 . 1 1 40 40 CYS CB C 13 31.70077 0.03589 . . . . . A 40 CYS CB . 19201 1 486 . 1 1 40 40 CYS N N 15 118.41351 0.01881 . . . . . A 40 CYS N . 19201 1 487 . 1 1 41 41 SER H H 1 7.91616 0.00224 . . . . . A 41 SER H . 19201 1 488 . 1 1 41 41 SER HA H 1 4.29142 0.00152 . . . . . A 41 SER HA . 19201 1 489 . 1 1 41 41 SER HB2 H 1 3.9876 8.0086E-4 . . . . . A 41 SER HB2 . 19201 1 490 . 1 1 41 41 SER HB3 H 1 4.13597 0.00694 . . . . . A 41 SER HB3 . 19201 1 491 . 1 1 41 41 SER C C 13 173.19281 0.000 . . . . . A 41 SER C . 19201 1 492 . 1 1 41 41 SER CA C 13 60.40106 0.0546 . . . . . A 41 SER CA . 19201 1 493 . 1 1 41 41 SER CB C 13 62.17673 0.02131 . . . . . A 41 SER CB . 19201 1 494 . 1 1 41 41 SER N N 15 113.63779 0.01461 . . . . . A 41 SER N . 19201 1 495 . 1 1 42 42 GLU H H 1 8.48255 0.00424 . . . . . A 42 GLU H . 19201 1 496 . 1 1 42 42 GLU HA H 1 3.91936 0.00703 . . . . . A 42 GLU HA . 19201 1 497 . 1 1 42 42 GLU HB2 H 1 1.36434 0.00321 . . . . . A 42 GLU HB2 . 19201 1 498 . 1 1 42 42 GLU HB3 H 1 2.01286 0.00313 . . . . . A 42 GLU HB3 . 19201 1 499 . 1 1 42 42 GLU HG2 H 1 1.55991 0.00206 . . . . . A 42 GLU HG2 . 19201 1 500 . 1 1 42 42 GLU HG3 H 1 1.87818 0.00527 . . . . . A 42 GLU HG3 . 19201 1 501 . 1 1 42 42 GLU C C 13 174.37334 0.000 . . . . . A 42 GLU C . 19201 1 502 . 1 1 42 42 GLU CA C 13 58.35034 0.02354 . . . . . A 42 GLU CA . 19201 1 503 . 1 1 42 42 GLU CB C 13 29.6524 0.06894 . . . . . A 42 GLU CB . 19201 1 504 . 1 1 42 42 GLU CG C 13 35.77433 0.07168 . . . . . A 42 GLU CG . 19201 1 505 . 1 1 42 42 GLU N N 15 124.84864 0.0188 . . . . . A 42 GLU N . 19201 1 506 . 1 1 43 43 GLN H H 1 8.04729 0.00401 . . . . . A 43 GLN H . 19201 1 507 . 1 1 43 43 GLN HA H 1 5.04206 0.00409 . . . . . A 43 GLN HA . 19201 1 508 . 1 1 43 43 GLN HB2 H 1 1.7915 0.0029 . . . . . A 43 GLN HB2 . 19201 1 509 . 1 1 43 43 GLN HB3 H 1 1.90796 0.00954 . . . . . A 43 GLN HB3 . 19201 1 510 . 1 1 43 43 GLN HG2 H 1 2.13441 0.00551 . . . . . A 43 GLN HG2 . 19201 1 511 . 1 1 43 43 GLN HG3 H 1 2.32799 0.00579 . . . . . A 43 GLN HG3 . 19201 1 512 . 1 1 43 43 GLN HE21 H 1 6.42897 0.00507 . . . . . A 43 GLN HE21 . 19201 1 513 . 1 1 43 43 GLN HE22 H 1 7.09821 9.60461E-4 . . . . . A 43 GLN HE22 . 19201 1 514 . 1 1 43 43 GLN C C 13 175.25118 0.000 . . . . . A 43 GLN C . 19201 1 515 . 1 1 43 43 GLN CA C 13 54.3941 0.05889 . . . . . A 43 GLN CA . 19201 1 516 . 1 1 43 43 GLN CB C 13 31.22243 0.06503 . . . . . A 43 GLN CB . 19201 1 517 . 1 1 43 43 GLN CG C 13 34.07323 0.08659 . . . . . A 43 GLN CG . 19201 1 518 . 1 1 43 43 GLN N N 15 122.06141 0.01387 . . . . . A 43 GLN N . 19201 1 519 . 1 1 43 43 GLN NE2 N 15 110.93114 0.02281 . . . . . A 43 GLN NE2 . 19201 1 520 . 1 1 44 44 PHE H H 1 9.31157 0.00298 . . . . . A 44 PHE H . 19201 1 521 . 1 1 44 44 PHE HA H 1 4.67807 0.00368 . . . . . A 44 PHE HA . 19201 1 522 . 1 1 44 44 PHE HB2 H 1 2.3819 0.00717 . . . . . A 44 PHE HB2 . 19201 1 523 . 1 1 44 44 PHE HB3 H 1 2.45519 0.00239 . . . . . A 44 PHE HB3 . 19201 1 524 . 1 1 44 44 PHE HD2 H 1 6.6898 0.00425 . . . . . A 44 PHE HD2 . 19201 1 525 . 1 1 44 44 PHE HE2 H 1 6.79544 0.00201 . . . . . A 44 PHE HE2 . 19201 1 526 . 1 1 44 44 PHE HZ H 1 6.15298 0.00267 . . . . . A 44 PHE HZ . 19201 1 527 . 1 1 44 44 PHE CA C 13 54.99434 0.03595 . . . . . A 44 PHE CA . 19201 1 528 . 1 1 44 44 PHE CB C 13 39.90839 0.04865 . . . . . A 44 PHE CB . 19201 1 529 . 1 1 44 44 PHE CD2 C 13 132.09672 0.11453 . . . . . A 44 PHE CD2 . 19201 1 530 . 1 1 44 44 PHE CE2 C 13 130.17949 1.90735E-6 . . . . . A 44 PHE CE2 . 19201 1 531 . 1 1 44 44 PHE CZ C 13 128.56583 0.000 . . . . . A 44 PHE CZ . 19201 1 532 . 1 1 44 44 PHE N N 15 122.82653 0.02037 . . . . . A 44 PHE N . 19201 1 533 . 1 1 45 45 PRO HA H 1 3.53097 0.00732 . . . . . A 45 PRO HA . 19201 1 534 . 1 1 45 45 PRO HB2 H 1 1.81223 0.0042 . . . . . A 45 PRO HB2 . 19201 1 535 . 1 1 45 45 PRO HB3 H 1 1.89117 0.00613 . . . . . A 45 PRO HB3 . 19201 1 536 . 1 1 45 45 PRO HG2 H 1 1.92064 0.01151 . . . . . A 45 PRO HG2 . 19201 1 537 . 1 1 45 45 PRO HG3 H 1 1.92064 0.01151 . . . . . A 45 PRO HG3 . 19201 1 538 . 1 1 45 45 PRO HD2 H 1 3.4579 0.00215 . . . . . A 45 PRO HD2 . 19201 1 539 . 1 1 45 45 PRO HD3 H 1 3.65626 0.0048 . . . . . A 45 PRO HD3 . 19201 1 540 . 1 1 45 45 PRO CA C 13 61.21086 0.03213 . . . . . A 45 PRO CA . 19201 1 541 . 1 1 45 45 PRO CB C 13 30.88881 0.04355 . . . . . A 45 PRO CB . 19201 1 542 . 1 1 45 45 PRO CG C 13 27.43347 1.11828E-6 . . . . . A 45 PRO CG . 19201 1 543 . 1 1 45 45 PRO CD C 13 50.39062 0.03437 . . . . . A 45 PRO CD . 19201 1 544 . 1 1 46 46 PRO HA H 1 4.16418 0.00352 . . . . . A 46 PRO HA . 19201 1 545 . 1 1 46 46 PRO HB2 H 1 1.74971 0.00766 . . . . . A 46 PRO HB2 . 19201 1 546 . 1 1 46 46 PRO HB3 H 1 2.12741 0.00413 . . . . . A 46 PRO HB3 . 19201 1 547 . 1 1 46 46 PRO HG2 H 1 1.45553 0.00392 . . . . . A 46 PRO HG2 . 19201 1 548 . 1 1 46 46 PRO HG3 H 1 1.74786 0.01003 . . . . . A 46 PRO HG3 . 19201 1 549 . 1 1 46 46 PRO HD2 H 1 2.43347 0.00425 . . . . . A 46 PRO HD2 . 19201 1 550 . 1 1 46 46 PRO HD3 H 1 3.15911 0.00436 . . . . . A 46 PRO HD3 . 19201 1 551 . 1 1 46 46 PRO C C 13 176.6206 0.000 . . . . . A 46 PRO C . 19201 1 552 . 1 1 46 46 PRO CA C 13 64.45053 0.02731 . . . . . A 46 PRO CA . 19201 1 553 . 1 1 46 46 PRO CB C 13 31.89022 0.05099 . . . . . A 46 PRO CB . 19201 1 554 . 1 1 46 46 PRO CG C 13 27.54116 0.04338 . . . . . A 46 PRO CG . 19201 1 555 . 1 1 46 46 PRO CD C 13 49.44841 0.02459 . . . . . A 46 PRO CD . 19201 1 556 . 1 1 47 47 ASP H H 1 8.02821 0.00326 . . . . . A 47 ASP H . 19201 1 557 . 1 1 47 47 ASP HA H 1 4.47598 0.00275 . . . . . A 47 ASP HA . 19201 1 558 . 1 1 47 47 ASP HB2 H 1 2.5251 0.00304 . . . . . A 47 ASP HB2 . 19201 1 559 . 1 1 47 47 ASP HB3 H 1 2.77202 0.00173 . . . . . A 47 ASP HB3 . 19201 1 560 . 1 1 47 47 ASP C C 13 175.83124 0.000 . . . . . A 47 ASP C . 19201 1 561 . 1 1 47 47 ASP CA C 13 52.88335 0.06822 . . . . . A 47 ASP CA . 19201 1 562 . 1 1 47 47 ASP CB C 13 39.55086 0.02552 . . . . . A 47 ASP CB . 19201 1 563 . 1 1 47 47 ASP N N 15 113.41067 0.01278 . . . . . A 47 ASP N . 19201 1 564 . 1 1 48 48 TYR H H 1 7.81194 0.00297 . . . . . A 48 TYR H . 19201 1 565 . 1 1 48 48 TYR HA H 1 4.20258 0.003 . . . . . A 48 TYR HA . 19201 1 566 . 1 1 48 48 TYR HB2 H 1 2.75205 0.01044 . . . . . A 48 TYR HB2 . 19201 1 567 . 1 1 48 48 TYR HB3 H 1 3.15481 0.00429 . . . . . A 48 TYR HB3 . 19201 1 568 . 1 1 48 48 TYR HD2 H 1 7.02108 0.00285 . . . . . A 48 TYR HD2 . 19201 1 569 . 1 1 48 48 TYR HE2 H 1 6.58927 0.00311 . . . . . A 48 TYR HE2 . 19201 1 570 . 1 1 48 48 TYR C C 13 175.18863 0.000 . . . . . A 48 TYR C . 19201 1 571 . 1 1 48 48 TYR CA C 13 58.80867 0.0844 . . . . . A 48 TYR CA . 19201 1 572 . 1 1 48 48 TYR CB C 13 39.30716 0.06091 . . . . . A 48 TYR CB . 19201 1 573 . 1 1 48 48 TYR CD2 C 13 133.2412 0.04504 . . . . . A 48 TYR CD2 . 19201 1 574 . 1 1 48 48 TYR CE2 C 13 118.44448 1.3487E-6 . . . . . A 48 TYR CE2 . 19201 1 575 . 1 1 48 48 TYR N N 15 122.52685 0.01597 . . . . . A 48 TYR N . 19201 1 576 . 1 1 49 49 ASP H H 1 8.0122 0.00301 . . . . . A 49 ASP H . 19201 1 577 . 1 1 49 49 ASP HA H 1 4.30864 0.00385 . . . . . A 49 ASP HA . 19201 1 578 . 1 1 49 49 ASP HB2 H 1 2.48911 0.00428 . . . . . A 49 ASP HB2 . 19201 1 579 . 1 1 49 49 ASP HB3 H 1 2.53909 5.60583E-4 . . . . . A 49 ASP HB3 . 19201 1 580 . 1 1 49 49 ASP C C 13 176.99557 0.000 . . . . . A 49 ASP C . 19201 1 581 . 1 1 49 49 ASP CA C 13 54.87748 0.06099 . . . . . A 49 ASP CA . 19201 1 582 . 1 1 49 49 ASP CB C 13 42.30468 0.02394 . . . . . A 49 ASP CB . 19201 1 583 . 1 1 49 49 ASP N N 15 125.42633 0.01954 . . . . . A 49 ASP N . 19201 1 584 . 1 1 50 50 GLN H H 1 8.87258 0.0028 . . . . . A 50 GLN H . 19201 1 585 . 1 1 50 50 GLN HA H 1 3.98881 0.00364 . . . . . A 50 GLN HA . 19201 1 586 . 1 1 50 50 GLN HB2 H 1 1.99519 1.08963E-4 . . . . . A 50 GLN HB2 . 19201 1 587 . 1 1 50 50 GLN HB3 H 1 2.23792 0.00319 . . . . . A 50 GLN HB3 . 19201 1 588 . 1 1 50 50 GLN HG2 H 1 2.48835 0.00349 . . . . . A 50 GLN HG2 . 19201 1 589 . 1 1 50 50 GLN HG3 H 1 2.48835 0.00349 . . . . . A 50 GLN HG3 . 19201 1 590 . 1 1 50 50 GLN HE21 H 1 6.82717 0.00176 . . . . . A 50 GLN HE21 . 19201 1 591 . 1 1 50 50 GLN HE22 H 1 8.07282 7.66537E-4 . . . . . A 50 GLN HE22 . 19201 1 592 . 1 1 50 50 GLN C C 13 177.77919 0.000 . . . . . A 50 GLN C . 19201 1 593 . 1 1 50 50 GLN CA C 13 58.91818 0.04769 . . . . . A 50 GLN CA . 19201 1 594 . 1 1 50 50 GLN CB C 13 28.25839 0.03483 . . . . . A 50 GLN CB . 19201 1 595 . 1 1 50 50 GLN CG C 13 32.61042 0.0544 . . . . . A 50 GLN CG . 19201 1 596 . 1 1 50 50 GLN N N 15 126.95814 0.01437 . . . . . A 50 GLN N . 19201 1 597 . 1 1 50 50 GLN NE2 N 15 112.10661 0.00798 . . . . . A 50 GLN NE2 . 19201 1 598 . 1 1 51 51 GLN H H 1 8.42488 0.00264 . . . . . A 51 GLN H . 19201 1 599 . 1 1 51 51 GLN HA H 1 4.15258 0.00328 . . . . . A 51 GLN HA . 19201 1 600 . 1 1 51 51 GLN HB2 H 1 2.09755 0.00588 . . . . . A 51 GLN HB2 . 19201 1 601 . 1 1 51 51 GLN HB3 H 1 2.21244 0.00163 . . . . . A 51 GLN HB3 . 19201 1 602 . 1 1 51 51 GLN HG2 H 1 2.36355 0.00299 . . . . . A 51 GLN HG2 . 19201 1 603 . 1 1 51 51 GLN HG3 H 1 2.45433 0.0059 . . . . . A 51 GLN HG3 . 19201 1 604 . 1 1 51 51 GLN HE21 H 1 6.86204 0.00149 . . . . . A 51 GLN HE21 . 19201 1 605 . 1 1 51 51 GLN HE22 H 1 7.68331 7.32173E-4 . . . . . A 51 GLN HE22 . 19201 1 606 . 1 1 51 51 GLN C C 13 179.00256 0.000 . . . . . A 51 GLN C . 19201 1 607 . 1 1 51 51 GLN CA C 13 59.1299 0.0334 . . . . . A 51 GLN CA . 19201 1 608 . 1 1 51 51 GLN CB C 13 28.37007 0.07195 . . . . . A 51 GLN CB . 19201 1 609 . 1 1 51 51 GLN CG C 13 35.00247 0.06131 . . . . . A 51 GLN CG . 19201 1 610 . 1 1 51 51 GLN N N 15 117.76746 0.0077 . . . . . A 51 GLN N . 19201 1 611 . 1 1 51 51 GLN NE2 N 15 112.81404 0.00308 . . . . . A 51 GLN NE2 . 19201 1 612 . 1 1 52 52 VAL H H 1 7.86433 0.00261 . . . . . A 52 VAL H . 19201 1 613 . 1 1 52 52 VAL HA H 1 3.56321 0.00287 . . . . . A 52 VAL HA . 19201 1 614 . 1 1 52 52 VAL HB H 1 2.05681 0.00446 . . . . . A 52 VAL HB . 19201 1 615 . 1 1 52 52 VAL HG11 H 1 0.9732 0.00631 . . . . . A 52 VAL HG11 . 19201 1 616 . 1 1 52 52 VAL HG12 H 1 0.9732 0.00631 . . . . . A 52 VAL HG12 . 19201 1 617 . 1 1 52 52 VAL HG13 H 1 0.9732 0.00631 . . . . . A 52 VAL HG13 . 19201 1 618 . 1 1 52 52 VAL HG21 H 1 1.02671 0.00706 . . . . . A 52 VAL HG21 . 19201 1 619 . 1 1 52 52 VAL HG22 H 1 1.02671 0.00706 . . . . . A 52 VAL HG22 . 19201 1 620 . 1 1 52 52 VAL HG23 H 1 1.02671 0.00706 . . . . . A 52 VAL HG23 . 19201 1 621 . 1 1 52 52 VAL C C 13 179.25193 0.000 . . . . . A 52 VAL C . 19201 1 622 . 1 1 52 52 VAL CA C 13 66.53016 0.04492 . . . . . A 52 VAL CA . 19201 1 623 . 1 1 52 52 VAL CB C 13 31.61547 0.10288 . . . . . A 52 VAL CB . 19201 1 624 . 1 1 52 52 VAL CG1 C 13 22.54993 0.06093 . . . . . A 52 VAL CG1 . 19201 1 625 . 1 1 52 52 VAL CG2 C 13 22.49934 0.10927 . . . . . A 52 VAL CG2 . 19201 1 626 . 1 1 52 52 VAL N N 15 122.14395 0.01544 . . . . . A 52 VAL N . 19201 1 627 . 1 1 53 53 PHE H H 1 8.29124 0.00332 . . . . . A 53 PHE H . 19201 1 628 . 1 1 53 53 PHE HA H 1 3.7758 0.00461 . . . . . A 53 PHE HA . 19201 1 629 . 1 1 53 53 PHE HB2 H 1 2.79014 0.00337 . . . . . A 53 PHE HB2 . 19201 1 630 . 1 1 53 53 PHE HB3 H 1 3.13884 0.00385 . . . . . A 53 PHE HB3 . 19201 1 631 . 1 1 53 53 PHE HD1 H 1 6.58477 0.00627 . . . . . A 53 PHE HD1 . 19201 1 632 . 1 1 53 53 PHE HE1 H 1 7.13803 0.00408 . . . . . A 53 PHE HE1 . 19201 1 633 . 1 1 53 53 PHE HZ H 1 7.26152 0.00198 . . . . . A 53 PHE HZ . 19201 1 634 . 1 1 53 53 PHE C C 13 176.49681 0.000 . . . . . A 53 PHE C . 19201 1 635 . 1 1 53 53 PHE CA C 13 61.51698 0.05172 . . . . . A 53 PHE CA . 19201 1 636 . 1 1 53 53 PHE CB C 13 39.10329 0.05592 . . . . . A 53 PHE CB . 19201 1 637 . 1 1 53 53 PHE CD1 C 13 131.4958 2.6974E-6 . . . . . A 53 PHE CD1 . 19201 1 638 . 1 1 53 53 PHE CE1 C 13 130.57228 8.52992E-6 . . . . . A 53 PHE CE1 . 19201 1 639 . 1 1 53 53 PHE CZ C 13 129.67578 3.8147E-6 . . . . . A 53 PHE CZ . 19201 1 640 . 1 1 53 53 PHE N N 15 122.10437 0.02882 . . . . . A 53 PHE N . 19201 1 641 . 1 1 54 54 GLU H H 1 8.61332 0.00437 . . . . . A 54 GLU H . 19201 1 642 . 1 1 54 54 GLU HA H 1 3.69031 0.0041 . . . . . A 54 GLU HA . 19201 1 643 . 1 1 54 54 GLU HB2 H 1 2.04088 0.00594 . . . . . A 54 GLU HB2 . 19201 1 644 . 1 1 54 54 GLU HB3 H 1 2.13804 0.00501 . . . . . A 54 GLU HB3 . 19201 1 645 . 1 1 54 54 GLU HG2 H 1 2.38535 0.00356 . . . . . A 54 GLU HG2 . 19201 1 646 . 1 1 54 54 GLU HG3 H 1 2.69535 0.00358 . . . . . A 54 GLU HG3 . 19201 1 647 . 1 1 54 54 GLU C C 13 179.45045 0.000 . . . . . A 54 GLU C . 19201 1 648 . 1 1 54 54 GLU CA C 13 59.84582 0.0259 . . . . . A 54 GLU CA . 19201 1 649 . 1 1 54 54 GLU CB C 13 28.96059 0.0534 . . . . . A 54 GLU CB . 19201 1 650 . 1 1 54 54 GLU CG C 13 36.84591 0.05456 . . . . . A 54 GLU CG . 19201 1 651 . 1 1 54 54 GLU N N 15 118.75533 0.01484 . . . . . A 54 GLU N . 19201 1 652 . 1 1 55 55 ARG H H 1 8.00588 0.00296 . . . . . A 55 ARG H . 19201 1 653 . 1 1 55 55 ARG HA H 1 4.00728 0.00453 . . . . . A 55 ARG HA . 19201 1 654 . 1 1 55 55 ARG HB2 H 1 1.88647 3.18735E-4 . . . . . A 55 ARG HB2 . 19201 1 655 . 1 1 55 55 ARG HB3 H 1 1.95806 0.00262 . . . . . A 55 ARG HB3 . 19201 1 656 . 1 1 55 55 ARG HG2 H 1 1.62733 0.00346 . . . . . A 55 ARG HG2 . 19201 1 657 . 1 1 55 55 ARG HG3 H 1 1.78354 0.00482 . . . . . A 55 ARG HG3 . 19201 1 658 . 1 1 55 55 ARG HD2 H 1 3.14513 0.00169 . . . . . A 55 ARG HD2 . 19201 1 659 . 1 1 55 55 ARG HD3 H 1 3.20159 0.00184 . . . . . A 55 ARG HD3 . 19201 1 660 . 1 1 55 55 ARG HE H 1 7.22364 0.00226 . . . . . A 55 ARG HE . 19201 1 661 . 1 1 55 55 ARG C C 13 178.90834 0.000 . . . . . A 55 ARG C . 19201 1 662 . 1 1 55 55 ARG CA C 13 59.15023 0.04959 . . . . . A 55 ARG CA . 19201 1 663 . 1 1 55 55 ARG CB C 13 29.84645 0.01367 . . . . . A 55 ARG CB . 19201 1 664 . 1 1 55 55 ARG CG C 13 27.76553 0.07863 . . . . . A 55 ARG CG . 19201 1 665 . 1 1 55 55 ARG CD C 13 43.5813 0.02132 . . . . . A 55 ARG CD . 19201 1 666 . 1 1 55 55 ARG N N 15 119.0235 0.02772 . . . . . A 55 ARG N . 19201 1 667 . 1 1 55 55 ARG NE N 15 84.55975 0.01867 . . . . . A 55 ARG NE . 19201 1 668 . 1 1 56 56 HIS H H 1 7.9214 0.00355 . . . . . A 56 HIS H . 19201 1 669 . 1 1 56 56 HIS HA H 1 4.11194 0.00591 . . . . . A 56 HIS HA . 19201 1 670 . 1 1 56 56 HIS HB2 H 1 3.23452 0.00402 . . . . . A 56 HIS HB2 . 19201 1 671 . 1 1 56 56 HIS HB3 H 1 3.52987 0.00569 . . . . . A 56 HIS HB3 . 19201 1 672 . 1 1 56 56 HIS HD2 H 1 6.91659 0.00704 . . . . . A 56 HIS HD2 . 19201 1 673 . 1 1 56 56 HIS HE1 H 1 7.94055 0.00438 . . . . . A 56 HIS HE1 . 19201 1 674 . 1 1 56 56 HIS C C 13 178.07751 0.000 . . . . . A 56 HIS C . 19201 1 675 . 1 1 56 56 HIS CA C 13 60.35683 0.01766 . . . . . A 56 HIS CA . 19201 1 676 . 1 1 56 56 HIS CB C 13 26.81747 0.08602 . . . . . A 56 HIS CB . 19201 1 677 . 1 1 56 56 HIS CD2 C 13 127.75251 3.8147E-6 . . . . . A 56 HIS CD2 . 19201 1 678 . 1 1 56 56 HIS CE1 C 13 140.13688 0.04162 . . . . . A 56 HIS CE1 . 19201 1 679 . 1 1 56 56 HIS N N 15 119.51653 0.00994 . . . . . A 56 HIS N . 19201 1 680 . 1 1 57 57 VAL H H 1 8.1308 0.00323 . . . . . A 57 VAL H . 19201 1 681 . 1 1 57 57 VAL HA H 1 3.4444 0.00392 . . . . . A 57 VAL HA . 19201 1 682 . 1 1 57 57 VAL HB H 1 1.99864 0.00241 . . . . . A 57 VAL HB . 19201 1 683 . 1 1 57 57 VAL HG11 H 1 0.80743 0.00253 . . . . . A 57 VAL HG11 . 19201 1 684 . 1 1 57 57 VAL HG12 H 1 0.80743 0.00253 . . . . . A 57 VAL HG12 . 19201 1 685 . 1 1 57 57 VAL HG13 H 1 0.80743 0.00253 . . . . . A 57 VAL HG13 . 19201 1 686 . 1 1 57 57 VAL HG21 H 1 1.02345 0.00292 . . . . . A 57 VAL HG21 . 19201 1 687 . 1 1 57 57 VAL HG22 H 1 1.02345 0.00292 . . . . . A 57 VAL HG22 . 19201 1 688 . 1 1 57 57 VAL HG23 H 1 1.02345 0.00292 . . . . . A 57 VAL HG23 . 19201 1 689 . 1 1 57 57 VAL C C 13 177.84493 0.000 . . . . . A 57 VAL C . 19201 1 690 . 1 1 57 57 VAL CA C 13 67.38817 0.05151 . . . . . A 57 VAL CA . 19201 1 691 . 1 1 57 57 VAL CB C 13 31.74857 0.02876 . . . . . A 57 VAL CB . 19201 1 692 . 1 1 57 57 VAL CG1 C 13 22.24847 0.07039 . . . . . A 57 VAL CG1 . 19201 1 693 . 1 1 57 57 VAL CG2 C 13 21.81885 0.08836 . . . . . A 57 VAL CG2 . 19201 1 694 . 1 1 57 57 VAL N N 15 121.28015 0.01775 . . . . . A 57 VAL N . 19201 1 695 . 1 1 58 58 GLN H H 1 7.74464 0.00327 . . . . . A 58 GLN H . 19201 1 696 . 1 1 58 58 GLN HA H 1 3.99795 0.00449 . . . . . A 58 GLN HA . 19201 1 697 . 1 1 58 58 GLN HB2 H 1 2.1261 0.00201 . . . . . A 58 GLN HB2 . 19201 1 698 . 1 1 58 58 GLN HB3 H 1 2.1261 0.00201 . . . . . A 58 GLN HB3 . 19201 1 699 . 1 1 58 58 GLN HG2 H 1 2.47153 0.01108 . . . . . A 58 GLN HG2 . 19201 1 700 . 1 1 58 58 GLN HG3 H 1 2.49614 0.01081 . . . . . A 58 GLN HG3 . 19201 1 701 . 1 1 58 58 GLN HE21 H 1 6.75171 0.00129 . . . . . A 58 GLN HE21 . 19201 1 702 . 1 1 58 58 GLN HE22 H 1 7.58724 0.0052 . . . . . A 58 GLN HE22 . 19201 1 703 . 1 1 58 58 GLN C C 13 178.68988 0.000 . . . . . A 58 GLN C . 19201 1 704 . 1 1 58 58 GLN CA C 13 57.95103 0.05037 . . . . . A 58 GLN CA . 19201 1 705 . 1 1 58 58 GLN CB C 13 28.26028 0.02205 . . . . . A 58 GLN CB . 19201 1 706 . 1 1 58 58 GLN CG C 13 33.66814 0.05779 . . . . . A 58 GLN CG . 19201 1 707 . 1 1 58 58 GLN N N 15 115.27443 0.01364 . . . . . A 58 GLN N . 19201 1 708 . 1 1 58 58 GLN NE2 N 15 112.46942 0.00189 . . . . . A 58 GLN NE2 . 19201 1 709 . 1 1 59 59 THR H H 1 7.65791 0.00252 . . . . . A 59 THR H . 19201 1 710 . 1 1 59 59 THR HA H 1 4.07774 0.00314 . . . . . A 59 THR HA . 19201 1 711 . 1 1 59 59 THR HB H 1 4.00197 0.00447 . . . . . A 59 THR HB . 19201 1 712 . 1 1 59 59 THR HG1 H 1 1.26989 0.00337 . . . . . A 59 THR HG1 . 19201 1 713 . 1 1 59 59 THR C C 13 176.28038 0.000 . . . . . A 59 THR C . 19201 1 714 . 1 1 59 59 THR CA C 13 65.18507 0.06476 . . . . . A 59 THR CA . 19201 1 715 . 1 1 59 59 THR CB C 13 69.18625 0.05678 . . . . . A 59 THR CB . 19201 1 716 . 1 1 59 59 THR CG2 C 13 21.42485 0.03739 . . . . . A 59 THR CG2 . 19201 1 717 . 1 1 59 59 THR N N 15 112.27113 0.01134 . . . . . A 59 THR N . 19201 1 718 . 1 1 60 60 HIS H H 1 7.22607 0.00242 . . . . . A 60 HIS H . 19201 1 719 . 1 1 60 60 HIS HA H 1 4.36231 0.00215 . . . . . A 60 HIS HA . 19201 1 720 . 1 1 60 60 HIS HB2 H 1 2.8459 0.00312 . . . . . A 60 HIS HB2 . 19201 1 721 . 1 1 60 60 HIS HB3 H 1 2.91705 0.00317 . . . . . A 60 HIS HB3 . 19201 1 722 . 1 1 60 60 HIS HD2 H 1 6.77552 0.00525 . . . . . A 60 HIS HD2 . 19201 1 723 . 1 1 60 60 HIS HE1 H 1 7.91244 0.00329 . . . . . A 60 HIS HE1 . 19201 1 724 . 1 1 60 60 HIS C C 13 175.30742 0.000 . . . . . A 60 HIS C . 19201 1 725 . 1 1 60 60 HIS CA C 13 57.05515 0.0094 . . . . . A 60 HIS CA . 19201 1 726 . 1 1 60 60 HIS CB C 13 28.1858 0.06664 . . . . . A 60 HIS CB . 19201 1 727 . 1 1 60 60 HIS CE1 C 13 140.27162 0.01788 . . . . . A 60 HIS CE1 . 19201 1 728 . 1 1 60 60 HIS N N 15 117.38713 0.00899 . . . . . A 60 HIS N . 19201 1 729 . 1 1 61 61 PHE H H 1 7.60145 0.00533 . . . . . A 61 PHE H . 19201 1 730 . 1 1 61 61 PHE HA H 1 4.6475 0.00261 . . . . . A 61 PHE HA . 19201 1 731 . 1 1 61 61 PHE HB2 H 1 2.95893 0.003 . . . . . A 61 PHE HB2 . 19201 1 732 . 1 1 61 61 PHE HB3 H 1 3.30802 0.0044 . . . . . A 61 PHE HB3 . 19201 1 733 . 1 1 61 61 PHE HD1 H 1 7.28831 0.00246 . . . . . A 61 PHE HD1 . 19201 1 734 . 1 1 61 61 PHE HE1 H 1 7.22827 0.00153 . . . . . A 61 PHE HE1 . 19201 1 735 . 1 1 61 61 PHE HZ H 1 6.77407 0.00221 . . . . . A 61 PHE HZ . 19201 1 736 . 1 1 61 61 PHE C C 13 175.79839 0.000 . . . . . A 61 PHE C . 19201 1 737 . 1 1 61 61 PHE CA C 13 57.75091 0.03772 . . . . . A 61 PHE CA . 19201 1 738 . 1 1 61 61 PHE CB C 13 39.56871 0.0437 . . . . . A 61 PHE CB . 19201 1 739 . 1 1 61 61 PHE CZ C 13 128.5171 6.87704E-6 . . . . . A 61 PHE CZ . 19201 1 740 . 1 1 61 61 PHE N N 15 118.10504 0.01146 . . . . . A 61 PHE N . 19201 1 741 . 1 1 62 62 ASP H H 1 8.02072 0.00354 . . . . . A 62 ASP H . 19201 1 742 . 1 1 62 62 ASP HA H 1 4.57731 0.00199 . . . . . A 62 ASP HA . 19201 1 743 . 1 1 62 62 ASP HB2 H 1 2.64012 0.00321 . . . . . A 62 ASP HB2 . 19201 1 744 . 1 1 62 62 ASP HB3 H 1 2.73596 0.00479 . . . . . A 62 ASP HB3 . 19201 1 745 . 1 1 62 62 ASP C C 13 176.53087 0.000 . . . . . A 62 ASP C . 19201 1 746 . 1 1 62 62 ASP CA C 13 54.88789 0.01891 . . . . . A 62 ASP CA . 19201 1 747 . 1 1 62 62 ASP CB C 13 41.20987 0.06891 . . . . . A 62 ASP CB . 19201 1 748 . 1 1 62 62 ASP N N 15 120.97857 0.00966 . . . . . A 62 ASP N . 19201 1 749 . 1 1 63 63 GLN H H 1 8.27383 0.00283 . . . . . A 63 GLN H . 19201 1 750 . 1 1 63 63 GLN HA H 1 4.27122 0.00168 . . . . . A 63 GLN HA . 19201 1 751 . 1 1 63 63 GLN HB2 H 1 1.99493 0.00492 . . . . . A 63 GLN HB2 . 19201 1 752 . 1 1 63 63 GLN HB3 H 1 2.14189 0.00289 . . . . . A 63 GLN HB3 . 19201 1 753 . 1 1 63 63 GLN HG2 H 1 2.3744 0.00381 . . . . . A 63 GLN HG2 . 19201 1 754 . 1 1 63 63 GLN HG3 H 1 2.3744 0.00381 . . . . . A 63 GLN HG3 . 19201 1 755 . 1 1 63 63 GLN HE21 H 1 6.82114 0.00122 . . . . . A 63 GLN HE21 . 19201 1 756 . 1 1 63 63 GLN HE22 H 1 7.48643 0.00185 . . . . . A 63 GLN HE22 . 19201 1 757 . 1 1 63 63 GLN C C 13 175.95492 0.000 . . . . . A 63 GLN C . 19201 1 758 . 1 1 63 63 GLN CA C 13 56.14722 0.05714 . . . . . A 63 GLN CA . 19201 1 759 . 1 1 63 63 GLN CB C 13 29.18442 0.02653 . . . . . A 63 GLN CB . 19201 1 760 . 1 1 63 63 GLN CG C 13 33.84739 0.02169 . . . . . A 63 GLN CG . 19201 1 761 . 1 1 63 63 GLN N N 15 120.04274 0.01459 . . . . . A 63 GLN N . 19201 1 762 . 1 1 63 63 GLN NE2 N 15 112.55676 0.00299 . . . . . A 63 GLN NE2 . 19201 1 763 . 1 1 64 64 ASN H H 1 8.40569 0.00227 . . . . . A 64 ASN H . 19201 1 764 . 1 1 64 64 ASN HA H 1 4.66762 0.0037 . . . . . A 64 ASN HA . 19201 1 765 . 1 1 64 64 ASN HB2 H 1 2.75537 9.29775E-4 . . . . . A 64 ASN HB2 . 19201 1 766 . 1 1 64 64 ASN HB3 H 1 2.81803 0.00215 . . . . . A 64 ASN HB3 . 19201 1 767 . 1 1 64 64 ASN HD21 H 1 6.88103 0.00142 . . . . . A 64 ASN HD21 . 19201 1 768 . 1 1 64 64 ASN HD22 H 1 7.6458 0.00231 . . . . . A 64 ASN HD22 . 19201 1 769 . 1 1 64 64 ASN C C 13 175.15899 0.000 . . . . . A 64 ASN C . 19201 1 770 . 1 1 64 64 ASN CA C 13 53.64494 0.03634 . . . . . A 64 ASN CA . 19201 1 771 . 1 1 64 64 ASN CB C 13 38.85467 0.04315 . . . . . A 64 ASN CB . 19201 1 772 . 1 1 64 64 ASN N N 15 119.1495 0.01464 . . . . . A 64 ASN N . 19201 1 773 . 1 1 64 64 ASN ND2 N 15 113.08559 0.00233 . . . . . A 64 ASN ND2 . 19201 1 774 . 1 1 65 65 VAL H H 1 7.90431 0.00277 . . . . . A 65 VAL H . 19201 1 775 . 1 1 65 65 VAL HA H 1 4.03895 0.00182 . . . . . A 65 VAL HA . 19201 1 776 . 1 1 65 65 VAL HB H 1 2.0647 0.00185 . . . . . A 65 VAL HB . 19201 1 777 . 1 1 65 65 VAL HG11 H 1 0.85711 0.00843 . . . . . A 65 VAL HG11 . 19201 1 778 . 1 1 65 65 VAL HG12 H 1 0.85711 0.00843 . . . . . A 65 VAL HG12 . 19201 1 779 . 1 1 65 65 VAL HG13 H 1 0.85711 0.00843 . . . . . A 65 VAL HG13 . 19201 1 780 . 1 1 65 65 VAL HG21 H 1 0.884 0.00719 . . . . . A 65 VAL HG21 . 19201 1 781 . 1 1 65 65 VAL HG22 H 1 0.884 0.00719 . . . . . A 65 VAL HG22 . 19201 1 782 . 1 1 65 65 VAL HG23 H 1 0.884 0.00719 . . . . . A 65 VAL HG23 . 19201 1 783 . 1 1 65 65 VAL C C 13 175.83463 0.000 . . . . . A 65 VAL C . 19201 1 784 . 1 1 65 65 VAL CA C 13 62.52299 0.01605 . . . . . A 65 VAL CA . 19201 1 785 . 1 1 65 65 VAL CB C 13 32.58395 0.07757 . . . . . A 65 VAL CB . 19201 1 786 . 1 1 65 65 VAL CG1 C 13 21.14591 0.000 . . . . . A 65 VAL CG1 . 19201 1 787 . 1 1 65 65 VAL CG2 C 13 20.43507 8.92081E-7 . . . . . A 65 VAL CG2 . 19201 1 788 . 1 1 65 65 VAL N N 15 119.68407 0.00961 . . . . . A 65 VAL N . 19201 1 789 . 1 1 66 66 LEU H H 1 8.11475 0.00521 . . . . . A 66 LEU H . 19201 1 790 . 1 1 66 66 LEU HA H 1 4.26743 0.00299 . . . . . A 66 LEU HA . 19201 1 791 . 1 1 66 66 LEU HB2 H 1 1.3814 0.00456 . . . . . A 66 LEU HB2 . 19201 1 792 . 1 1 66 66 LEU HB3 H 1 1.54489 0.00338 . . . . . A 66 LEU HB3 . 19201 1 793 . 1 1 66 66 LEU HG H 1 1.54195 0.00392 . . . . . A 66 LEU HG . 19201 1 794 . 1 1 66 66 LEU HD11 H 1 0.80901 0.00495 . . . . . A 66 LEU HD11 . 19201 1 795 . 1 1 66 66 LEU HD12 H 1 0.80901 0.00495 . . . . . A 66 LEU HD12 . 19201 1 796 . 1 1 66 66 LEU HD13 H 1 0.80901 0.00495 . . . . . A 66 LEU HD13 . 19201 1 797 . 1 1 66 66 LEU HD21 H 1 0.87727 1.49012E-8 . . . . . A 66 LEU HD21 . 19201 1 798 . 1 1 66 66 LEU HD22 H 1 0.87727 1.49012E-8 . . . . . A 66 LEU HD22 . 19201 1 799 . 1 1 66 66 LEU HD23 H 1 0.87727 1.49012E-8 . . . . . A 66 LEU HD23 . 19201 1 800 . 1 1 66 66 LEU C C 13 176.31587 0.000 . . . . . A 66 LEU C . 19201 1 801 . 1 1 66 66 LEU CA C 13 54.89876 0.03503 . . . . . A 66 LEU CA . 19201 1 802 . 1 1 66 66 LEU CB C 13 42.40442 0.0981 . . . . . A 66 LEU CB . 19201 1 803 . 1 1 66 66 LEU CG C 13 27.04214 0.09675 . . . . . A 66 LEU CG . 19201 1 804 . 1 1 66 66 LEU CD1 C 13 23.41313 0.00356 . . . . . A 66 LEU CD1 . 19201 1 805 . 1 1 66 66 LEU CD2 C 13 25.05238 3.37175E-7 . . . . . A 66 LEU CD2 . 19201 1 806 . 1 1 66 66 LEU N N 15 124.81855 0.01223 . . . . . A 66 LEU N . 19201 1 807 . 1 1 67 67 ASN H H 1 8.05651 0.00169 . . . . . A 67 ASN H . 19201 1 808 . 1 1 67 67 ASN HA H 1 4.63536 0.00186 . . . . . A 67 ASN HA . 19201 1 809 . 1 1 67 67 ASN HB2 H 1 2.59885 0.00376 . . . . . A 67 ASN HB2 . 19201 1 810 . 1 1 67 67 ASN HB3 H 1 2.69164 0.00267 . . . . . A 67 ASN HB3 . 19201 1 811 . 1 1 67 67 ASN HD21 H 1 6.81515 0.00105 . . . . . A 67 ASN HD21 . 19201 1 812 . 1 1 67 67 ASN HD22 H 1 7.51475 8.6145E-4 . . . . . A 67 ASN HD22 . 19201 1 813 . 1 1 67 67 ASN C C 13 174.31606 0.000 . . . . . A 67 ASN C . 19201 1 814 . 1 1 67 67 ASN CA C 13 52.96448 0.05644 . . . . . A 67 ASN CA . 19201 1 815 . 1 1 67 67 ASN CB C 13 39.57611 0.06424 . . . . . A 67 ASN CB . 19201 1 816 . 1 1 67 67 ASN N N 15 119.01186 0.00664 . . . . . A 67 ASN N . 19201 1 817 . 1 1 67 67 ASN ND2 N 15 113.07689 0.00497 . . . . . A 67 ASN ND2 . 19201 1 818 . 1 1 68 68 PHE H H 1 8.20825 0.00167 . . . . . A 68 PHE H . 19201 1 819 . 1 1 68 68 PHE HA H 1 4.65383 5.09738E-4 . . . . . A 68 PHE HA . 19201 1 820 . 1 1 68 68 PHE HB2 H 1 2.90819 0.00227 . . . . . A 68 PHE HB2 . 19201 1 821 . 1 1 68 68 PHE HB3 H 1 3.22705 6.62312E-4 . . . . . A 68 PHE HB3 . 19201 1 822 . 1 1 68 68 PHE HD1 H 1 7.23832 8.42937E-8 . . . . . A 68 PHE HD1 . 19201 1 823 . 1 1 68 68 PHE C C 13 174.60965 0.000 . . . . . A 68 PHE C . 19201 1 824 . 1 1 68 68 PHE CA C 13 57.39657 0.0041 . . . . . A 68 PHE CA . 19201 1 825 . 1 1 68 68 PHE CB C 13 39.7239 0.01887 . . . . . A 68 PHE CB . 19201 1 826 . 1 1 68 68 PHE N N 15 121.18706 0.01101 . . . . . A 68 PHE N . 19201 1 827 . 1 1 69 69 ASP H H 1 7.9694 0.00178 . . . . . A 69 ASP H . 19201 1 828 . 1 1 69 69 ASP HA H 1 4.37476 0.0026 . . . . . A 69 ASP HA . 19201 1 829 . 1 1 69 69 ASP HB2 H 1 2.56352 9.88431E-8 . . . . . A 69 ASP HB2 . 19201 1 830 . 1 1 69 69 ASP HB3 H 1 2.65793 0.000 . . . . . A 69 ASP HB3 . 19201 1 831 . 1 1 69 69 ASP CA C 13 55.82695 0.00215 . . . . . A 69 ASP CA . 19201 1 832 . 1 1 69 69 ASP CB C 13 42.12595 0.00199 . . . . . A 69 ASP CB . 19201 1 833 . 1 1 69 69 ASP N N 15 126.61022 0.02059 . . . . . A 69 ASP N . 19201 1 stop_ save_