data_15057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15057 _Entry.Title ; Solution Structrue of C-terminal Bromodomain of Brd4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-28 _Entry.Accession_date 2006-11-28 _Entry.Last_release_date 2008-06-24 _Entry.Original_release_date 2008-06-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Y. Liu Y. . . 15057 2 J. Wu J. H. . 15057 3 Y. Shi Y. Y. . 15057 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bromodomain, 3D structure, NMR' 'Bromodomain, 3D structure, NMR' 15057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 433 15057 '15N chemical shifts' 103 15057 '1H chemical shifts' 727 15057 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-24 2006-11-28 original author . 15057 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15057 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18500820 _Citation.Full_citation . _Citation.Title 'Structural basis and binding properties of the second bromodomain of Brd4 with acetylated histone tails' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 6403 _Citation.Page_last 6417 _Citation.Year 2008 _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 Y. Liu Y. . . 15057 1 2 X. Wang X. . . 15057 1 3 J. Zhang J. . . 15057 1 4 H. Huang H. . . 15057 1 5 B. Ding B. . . 15057 1 6 J. Wu J. . . 15057 1 7 Y. Shi Y. . . 15057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15057 _Assembly.ID 1 _Assembly.Name 'Second bromodomain of Brd4 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 'Second bromodomain of Brd4' 1 $Bromodomain-containing_protein_4 A . yes native no no . . . 15057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bromodomain-containing_protein_4 _Entity.Sf_category entity _Entity.Sf_framecode Bromodomain-containing_protein_4 _Entity.Entry_ID 15057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bromodomain-containing_protein_4 _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 ; EQLKCCSGILKEMFAKKHAA YAWPFYKPVDVEALGLHDYC DIIKHPMDMSTIKSKLEARE YRDAQEFGADVRLMFSNCYK YNPPDHEVVAMARKLQDVFE MRFAKMLEHHHHHH ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal bromodomain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2I8N . "Solution Structure Of The Second Bromodomain Of Brd4" . . . . . 100.00 114 99.12 100.00 5.28e-78 . . . . 15057 1 2 no PDB 2LSP . "Solution Structures Of Brd4 Second Bromodomain With Nf-kb-k310ac Peptide" . . . . . 92.98 128 100.00 100.00 3.12e-72 . . . . 15057 1 3 no PDB 2MJV . "Solution Structures Of Second Bromodomain Of Brd4 With Di-acetylated Twist Peptide" . . . . . 92.98 128 100.00 100.00 3.12e-72 . . . . 15057 1 4 no PDB 2OUO . "Crystal Structure Of The Bromo Domain 2 In Human Bromodomain Containing Protein 4 (Brd4)" . . . . . 92.98 130 100.00 100.00 2.68e-72 . . . . 15057 1 5 no PDB 2YEM . "Crystal Structure Of The Second Bromodomain Of Human Brd4 With The Inhibitor Gw841819x" . . . . . 92.98 130 100.00 100.00 2.68e-72 . . . . 15057 1 6 no PDB 3JVL . "Crystal Structure Of Bromodomain 2 Of Mouse Brd4" . . . . . 92.98 120 99.06 100.00 9.47e-72 . . . . 15057 1 7 no PDB 3JVM . "Crystal Structure Of Bromodomain 2 Of Mouse Brd4" . . . . . 92.98 120 99.06 100.00 9.47e-72 . . . . 15057 1 8 no PDB 4KV4 . "Brd4 Bromodomain 2 In Complex With Acetylated Rel Peptide" . . . . . 92.98 111 100.00 100.00 4.27e-72 . . . . 15057 1 9 no PDB 4Z93 . "Brd4 Bromodomain 2 In Complex With Gamma-carboline-containing Compound, Number 18" . . . . . 92.98 112 98.11 98.11 1.14e-69 . . . . 15057 1 10 no REF XP_006524755 . "PREDICTED: bromodomain-containing protein 4 isoform X5 [Mus musculus]" . . . . . 92.98 1253 99.06 100.00 3.06e-62 . . . . 15057 1 11 no REF XP_006524756 . "PREDICTED: bromodomain-containing protein 4 isoform X6 [Mus musculus]" . . . . . 92.98 1252 99.06 100.00 3.05e-62 . . . . 15057 1 12 no REF XP_008763395 . "PREDICTED: bromodomain-containing protein 4 isoform X5 [Rattus norvegicus]" . . . . . 92.98 1255 99.06 100.00 4.56e-62 . . . . 15057 1 13 no REF XP_011244845 . "PREDICTED: bromodomain-containing protein 4 isoform X5 [Mus musculus]" . . . . . 92.98 1253 99.06 100.00 3.06e-62 . . . . 15057 1 14 no REF XP_011382411 . "PREDICTED: bromodomain-containing protein 4 isoform X3 [Pteropus vampyrus]" . . . . . 92.98 1224 100.00 100.00 9.77e-63 . . . . 15057 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Alternative splicing' SWS-KEYWORD 15057 1 Bromodomain SWS-KEYWORD 15057 1 'Bromodomain-containing protein 4' RCSB_NAME 15057 1 'HUNK1 protein' SWS-SYNONYM 15057 1 'Nuclear protein' SWS-KEYWORD 15057 1 Phosphorylation SWS-KEYWORD 15057 1 Repeat SWS-KEYWORD 15057 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 . GLU . 15057 1 2 . GLN . 15057 1 3 . LEU . 15057 1 4 . LYS . 15057 1 5 . CYS . 15057 1 6 . CYS . 15057 1 7 . SER . 15057 1 8 . GLY . 15057 1 9 . ILE . 15057 1 10 . LEU . 15057 1 11 . LYS . 15057 1 12 . GLU . 15057 1 13 . MET . 15057 1 14 . PHE . 15057 1 15 . ALA . 15057 1 16 . LYS . 15057 1 17 . LYS . 15057 1 18 . HIS . 15057 1 19 . ALA . 15057 1 20 . ALA . 15057 1 21 . TYR . 15057 1 22 . ALA . 15057 1 23 . TRP . 15057 1 24 . PRO . 15057 1 25 . PHE . 15057 1 26 . TYR . 15057 1 27 . LYS . 15057 1 28 . PRO . 15057 1 29 . VAL . 15057 1 30 . ASP . 15057 1 31 . VAL . 15057 1 32 . GLU . 15057 1 33 . ALA . 15057 1 34 . LEU . 15057 1 35 . GLY . 15057 1 36 . LEU . 15057 1 37 . HIS . 15057 1 38 . ASP . 15057 1 39 . TYR . 15057 1 40 . CYS . 15057 1 41 . ASP . 15057 1 42 . ILE . 15057 1 43 . ILE . 15057 1 44 . LYS . 15057 1 45 . HIS . 15057 1 46 . PRO . 15057 1 47 . MET . 15057 1 48 . ASP . 15057 1 49 . MET . 15057 1 50 . SER . 15057 1 51 . THR . 15057 1 52 . ILE . 15057 1 53 . LYS . 15057 1 54 . SER . 15057 1 55 . LYS . 15057 1 56 . LEU . 15057 1 57 . GLU . 15057 1 58 . ALA . 15057 1 59 . ARG . 15057 1 60 . GLU . 15057 1 61 . TYR . 15057 1 62 . ARG . 15057 1 63 . ASP . 15057 1 64 . ALA . 15057 1 65 . GLN . 15057 1 66 . GLU . 15057 1 67 . PHE . 15057 1 68 . GLY . 15057 1 69 . ALA . 15057 1 70 . ASP . 15057 1 71 . VAL . 15057 1 72 . ARG . 15057 1 73 . LEU . 15057 1 74 . MET . 15057 1 75 . PHE . 15057 1 76 . SER . 15057 1 77 . ASN . 15057 1 78 . CYS . 15057 1 79 . TYR . 15057 1 80 . LYS . 15057 1 81 . TYR . 15057 1 82 . ASN . 15057 1 83 . PRO . 15057 1 84 . PRO . 15057 1 85 . ASP . 15057 1 86 . HIS . 15057 1 87 . GLU . 15057 1 88 . VAL . 15057 1 89 . VAL . 15057 1 90 . ALA . 15057 1 91 . MET . 15057 1 92 . ALA . 15057 1 93 . ARG . 15057 1 94 . LYS . 15057 1 95 . LEU . 15057 1 96 . GLN . 15057 1 97 . ASP . 15057 1 98 . VAL . 15057 1 99 . PHE . 15057 1 100 . GLU . 15057 1 101 . MET . 15057 1 102 . ARG . 15057 1 103 . PHE . 15057 1 104 . ALA . 15057 1 105 . LYS . 15057 1 106 . MET . 15057 1 107 . LEU . 15057 1 108 . GLU . 15057 1 109 . HIS . 15057 1 110 . HIS . 15057 1 111 . HIS . 15057 1 112 . HIS . 15057 1 113 . HIS . 15057 1 114 . HIS . 15057 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 . GLU 1 1 15057 1 . GLN 2 2 15057 1 . LEU 3 3 15057 1 . LYS 4 4 15057 1 . CYS 5 5 15057 1 . CYS 6 6 15057 1 . SER 7 7 15057 1 . GLY 8 8 15057 1 . ILE 9 9 15057 1 . LEU 10 10 15057 1 . LYS 11 11 15057 1 . GLU 12 12 15057 1 . MET 13 13 15057 1 . PHE 14 14 15057 1 . ALA 15 15 15057 1 . LYS 16 16 15057 1 . LYS 17 17 15057 1 . HIS 18 18 15057 1 . ALA 19 19 15057 1 . ALA 20 20 15057 1 . TYR 21 21 15057 1 . ALA 22 22 15057 1 . TRP 23 23 15057 1 . PRO 24 24 15057 1 . PHE 25 25 15057 1 . TYR 26 26 15057 1 . LYS 27 27 15057 1 . PRO 28 28 15057 1 . VAL 29 29 15057 1 . ASP 30 30 15057 1 . VAL 31 31 15057 1 . GLU 32 32 15057 1 . ALA 33 33 15057 1 . LEU 34 34 15057 1 . GLY 35 35 15057 1 . LEU 36 36 15057 1 . HIS 37 37 15057 1 . ASP 38 38 15057 1 . TYR 39 39 15057 1 . CYS 40 40 15057 1 . ASP 41 41 15057 1 . ILE 42 42 15057 1 . ILE 43 43 15057 1 . LYS 44 44 15057 1 . HIS 45 45 15057 1 . PRO 46 46 15057 1 . MET 47 47 15057 1 . ASP 48 48 15057 1 . MET 49 49 15057 1 . SER 50 50 15057 1 . THR 51 51 15057 1 . ILE 52 52 15057 1 . LYS 53 53 15057 1 . SER 54 54 15057 1 . LYS 55 55 15057 1 . LEU 56 56 15057 1 . GLU 57 57 15057 1 . ALA 58 58 15057 1 . ARG 59 59 15057 1 . GLU 60 60 15057 1 . TYR 61 61 15057 1 . ARG 62 62 15057 1 . ASP 63 63 15057 1 . ALA 64 64 15057 1 . GLN 65 65 15057 1 . GLU 66 66 15057 1 . PHE 67 67 15057 1 . GLY 68 68 15057 1 . ALA 69 69 15057 1 . ASP 70 70 15057 1 . VAL 71 71 15057 1 . ARG 72 72 15057 1 . LEU 73 73 15057 1 . MET 74 74 15057 1 . PHE 75 75 15057 1 . SER 76 76 15057 1 . ASN 77 77 15057 1 . CYS 78 78 15057 1 . TYR 79 79 15057 1 . LYS 80 80 15057 1 . TYR 81 81 15057 1 . ASN 82 82 15057 1 . PRO 83 83 15057 1 . PRO 84 84 15057 1 . ASP 85 85 15057 1 . HIS 86 86 15057 1 . GLU 87 87 15057 1 . VAL 88 88 15057 1 . VAL 89 89 15057 1 . ALA 90 90 15057 1 . MET 91 91 15057 1 . ALA 92 92 15057 1 . ARG 93 93 15057 1 . LYS 94 94 15057 1 . LEU 95 95 15057 1 . GLN 96 96 15057 1 . ASP 97 97 15057 1 . VAL 98 98 15057 1 . PHE 99 99 15057 1 . GLU 100 100 15057 1 . MET 101 101 15057 1 . ARG 102 102 15057 1 . PHE 103 103 15057 1 . ALA 104 104 15057 1 . LYS 105 105 15057 1 . MET 106 106 15057 1 . LEU 107 107 15057 1 . GLU 108 108 15057 1 . HIS 109 109 15057 1 . HIS 110 110 15057 1 . HIS 111 111 15057 1 . HIS 112 112 15057 1 . HIS 113 113 15057 1 . HIS 114 114 15057 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15057 _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 $Bromodomain-containing_protein_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . BRD4 . . . . 15057 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 15057 _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 $Bromodomain-containing_protein_4 . 'recombinant technology' 'Escherichia coli' bacteria . . . . BL21(GOLD) . . . . . . . . . . . . . . . pET22b(+) . . . . . . 15057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 15057 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0mM 15N, 13C-labeled BRD4 C-terminal domain, 20mM phosphate buffer(pH6.0), 50mM NaCl, 5mM EDTA, 10%(v/v)D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bromodomain-containing protein 4' '[U-13C; U-15N]' . . 1 $Bromodomain-containing_protein_4 . . 1.0 . . mM . . . . 15057 1 2 'phosphate buffer' none . . . . . . 20 . . mM . . . . 15057 1 3 NaCl none . . . . . . 50 . . mM . . . . 15057 1 4 EDTA none . . . . . . 5 . . mM . . . . 15057 1 5 D2O none . . . . . . 10 . . '% v/v' . . . . 15057 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 15057 _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' 70 . mM 15057 1 pH 6.0 . pH 15057 1 pressure 1 . atm 15057 1 temperature 293 . K 15057 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15057 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID F.Delaglio . . 15057 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15057 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15057 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T.D.Goddard and D.G.Kneller' . . 15057 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15057 2 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 15057 _Software.ID 3 _Software.Name CSI _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David S.Wishart' . . 15057 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15057 3 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 15057 _Software.ID 4 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Koradi . . 15057 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15057 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15057 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A Brunger, P Adams, M Clore, P Gros, M Nilges and R Read' . . 15057 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15057 5 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 15057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15057 _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 Bruker DMX . 600 . . . 15057 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 15057 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using triple-resonance NMR spectroscopy.' 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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15057 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15057 1 3 '2D NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15057 1 4 '2D TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15057 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 15057 _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 water protons . . . . ppm 4.80 external indirect 0.25144 . . . 1 $citations . . 1 $citations 15057 1 H 1 water protons . . . . ppm 4.80 external direct 1.0 . . . 1 $citations . . 1 $citations 15057 1 N 15 water protons . . . . ppm 4.80 external indirect 0.10133 . . . 1 $citations . . 1 $citations 15057 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 15057 _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 '3D 13C-separated NOESY' . . . 15057 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 GLU HA H 1 4.322 0.01 . 1 . . . . 1 E HA . 15057 1 2 . 1 1 1 1 GLU HB2 H 1 2.154 0.01 . 1 . . . . 1 E HB2 . 15057 1 3 . 1 1 1 1 GLU HB3 H 1 1.977 0.01 . 1 . . . . 1 E HB3 . 15057 1 4 . 1 1 1 1 GLU HG2 H 1 2.364 0.01 . 1 . . . . 1 E HG2 . 15057 1 5 . 1 1 1 1 GLU HG3 H 1 2.322 0.01 . 1 . . . . 1 E HG3 . 15057 1 6 . 1 1 1 1 GLU C C 13 177.311 0.1 . 1 . . . . 1 E CO . 15057 1 7 . 1 1 1 1 GLU CA C 13 56.998 0.1 . 1 . . . . 1 E CA . 15057 1 8 . 1 1 1 1 GLU CB C 13 29.854 0.1 . 1 . . . . 1 E CB . 15057 1 9 . 1 1 1 1 GLU CG C 13 36.319 0.1 . 1 . . . . 1 E CG . 15057 1 10 . 1 1 2 2 GLN H H 1 9.002 0.01 . 1 . . . . 2 Q HN . 15057 1 11 . 1 1 2 2 GLN HA H 1 4.007 0.01 . 1 . . . . 2 Q HA . 15057 1 12 . 1 1 2 2 GLN HB2 H 1 1.990 0.01 . 1 . . . . 2 Q HB# . 15057 1 13 . 1 1 2 2 GLN HB3 H 1 1.990 0.01 . 1 . . . . 2 Q HB# . 15057 1 14 . 1 1 2 2 GLN HG2 H 1 2.323 0.01 . 1 . . . . 2 Q HG2 . 15057 1 15 . 1 1 2 2 GLN HG3 H 1 2.177 0.01 . 1 . . . . 2 Q HG3 . 15057 1 16 . 1 1 2 2 GLN HE21 H 1 7.521 0.01 . 1 . . . . 2 Q HE21 . 15057 1 17 . 1 1 2 2 GLN HE22 H 1 6.931 0.01 . 1 . . . . 2 Q HE22 . 15057 1 18 . 1 1 2 2 GLN C C 13 178.188 0.1 . 1 . . . . 2 Q CO . 15057 1 19 . 1 1 2 2 GLN CA C 13 59.374 0.1 . 1 . . . . 2 Q CA . 15057 1 20 . 1 1 2 2 GLN CB C 13 28.883 0.1 . 1 . . . . 2 Q CB . 15057 1 21 . 1 1 2 2 GLN CG C 13 34.477 0.1 . 1 . . . . 2 Q CG . 15057 1 22 . 1 1 2 2 GLN N N 15 122.109 0.1 . 1 . . . . 2 Q N . 15057 1 23 . 1 1 2 2 GLN NE2 N 15 111.522 0.1 . 1 . . . . 2 Q NE2 . 15057 1 24 . 1 1 3 3 LEU H H 1 8.821 0.01 . 1 . . . . 3 L HN . 15057 1 25 . 1 1 3 3 LEU HA H 1 3.987 0.01 . 1 . . . . 3 L HA . 15057 1 26 . 1 1 3 3 LEU HB2 H 1 1.872 0.01 . 1 . . . . 3 L HB2 . 15057 1 27 . 1 1 3 3 LEU HB3 H 1 1.391 0.01 . 1 . . . . 3 L HB3 . 15057 1 28 . 1 1 3 3 LEU HG H 1 1.526 0.01 . 1 . . . . 3 L HG . 15057 1 29 . 1 1 3 3 LEU HD11 H 1 0.800 0.01 . 1 . . . . 3 L HD1# . 15057 1 30 . 1 1 3 3 LEU HD12 H 1 0.800 0.01 . 1 . . . . 3 L HD1# . 15057 1 31 . 1 1 3 3 LEU HD13 H 1 0.800 0.01 . 1 . . . . 3 L HD1# . 15057 1 32 . 1 1 3 3 LEU HD21 H 1 0.647 0.01 . 1 . . . . 3 L HD2# . 15057 1 33 . 1 1 3 3 LEU HD22 H 1 0.647 0.01 . 1 . . . . 3 L HD2# . 15057 1 34 . 1 1 3 3 LEU HD23 H 1 0.647 0.01 . 1 . . . . 3 L HD2# . 15057 1 35 . 1 1 3 3 LEU C C 13 179.713 0.1 . 1 . . . . 3 L CO . 15057 1 36 . 1 1 3 3 LEU CA C 13 58.160 0.1 . 1 . . . . 3 L CA . 15057 1 37 . 1 1 3 3 LEU CB C 13 40.360 0.1 . 1 . . . . 3 L CB . 15057 1 38 . 1 1 3 3 LEU CD1 C 13 25.146 0.1 . 1 . . . . 3 L CD1 . 15057 1 39 . 1 1 3 3 LEU CD2 C 13 22.770 0.1 . 1 . . . . 3 L CD2 . 15057 1 40 . 1 1 3 3 LEU N N 15 121.088 0.1 . 1 . . . . 3 L N . 15057 1 41 . 1 1 4 4 LYS H H 1 7.870 0.01 . 1 . . . . 4 K HN . 15057 1 42 . 1 1 4 4 LYS HA H 1 4.029 0.01 . 1 . . . . 4 K HA . 15057 1 43 . 1 1 4 4 LYS HB2 H 1 1.895 0.01 . 1 . . . . 4 K HB# . 15057 1 44 . 1 1 4 4 LYS HB3 H 1 1.895 0.01 . 1 . . . . 4 K HB# . 15057 1 45 . 1 1 4 4 LYS HG2 H 1 1.464 0.01 . 1 . . . . 4 K HG# . 15057 1 46 . 1 1 4 4 LYS HG3 H 1 1.464 0.01 . 1 . . . . 4 K HG# . 15057 1 47 . 1 1 4 4 LYS HD2 H 1 1.663 0.01 . 1 . . . . 4 K HD# . 15057 1 48 . 1 1 4 4 LYS HD3 H 1 1.663 0.01 . 1 . . . . 4 K HD# . 15057 1 49 . 1 1 4 4 LYS HE2 H 1 2.928 0.01 . 1 . . . . 4 K HE# . 15057 1 50 . 1 1 4 4 LYS HE3 H 1 2.928 0.01 . 1 . . . . 4 K HE# . 15057 1 51 . 1 1 4 4 LYS C C 13 179.934 0.1 . 1 . . . . 4 K CO . 15057 1 52 . 1 1 4 4 LYS CA C 13 59.606 0.1 . 1 . . . . 4 K CA . 15057 1 53 . 1 1 4 4 LYS CB C 13 31.711 0.1 . 1 . . . . 4 K CB . 15057 1 54 . 1 1 4 4 LYS CG C 13 25.216 0.1 . 1 . . . . 4 K CG . 15057 1 55 . 1 1 4 4 LYS CD C 13 28.941 0.1 . 1 . . . . 4 K CD . 15057 1 56 . 1 1 4 4 LYS CE C 13 42.245 0.1 . 1 . . . . 4 K CE . 15057 1 57 . 1 1 4 4 LYS N N 15 122.374 0.1 . 1 . . . . 4 K N . 15057 1 58 . 1 1 5 5 CYS H H 1 8.076 0.01 . 1 . . . . 5 C HN . 15057 1 59 . 1 1 5 5 CYS HA H 1 4.145 0.01 . 1 . . . . 5 C HA . 15057 1 60 . 1 1 5 5 CYS HB2 H 1 3.091 0.01 . 1 . . . . 5 C HB2 . 15057 1 61 . 1 1 5 5 CYS HB3 H 1 2.959 0.01 . 1 . . . . 5 C HB3 . 15057 1 62 . 1 1 5 5 CYS C C 13 178.297 0.1 . 1 . . . . 5 C CO . 15057 1 63 . 1 1 5 5 CYS CA C 13 62.445 0.1 . 1 . . . . 5 C CA . 15057 1 64 . 1 1 5 5 CYS CB C 13 26.440 0.1 . 1 . . . . 5 C CB . 15057 1 65 . 1 1 5 5 CYS N N 15 120.305 0.1 . 1 . . . . 5 C N . 15057 1 66 . 1 1 6 6 CYS H H 1 7.929 0.01 . 1 . . . . 6 C HN . 15057 1 67 . 1 1 6 6 CYS HA H 1 3.611 0.01 . 1 . . . . 6 C HA . 15057 1 68 . 1 1 6 6 CYS HB2 H 1 2.712 0.01 . 1 . . . . 6 C HB2 . 15057 1 69 . 1 1 6 6 CYS HB3 H 1 0.338 0.01 . 1 . . . . 6 C HB3 . 15057 1 70 . 1 1 6 6 CYS C C 13 175.761 0.1 . 1 . . . . 6 C CO . 15057 1 71 . 1 1 6 6 CYS CA C 13 64.602 0.1 . 1 . . . . 6 C CA . 15057 1 72 . 1 1 6 6 CYS CB C 13 25.253 0.1 . 1 . . . . 6 C CB . 15057 1 73 . 1 1 6 6 CYS N N 15 119.288 0.1 . 1 . . . . 6 C N . 15057 1 74 . 1 1 7 7 SER H H 1 7.872 0.01 . 1 . . . . 7 S HN . 15057 1 75 . 1 1 7 7 SER HA H 1 3.990 0.01 . 1 . . . . 7 S HA . 15057 1 76 . 1 1 7 7 SER HB2 H 1 3.972 0.01 . 1 . . . . 7 S HB# . 15057 1 77 . 1 1 7 7 SER HB3 H 1 3.972 0.01 . 1 . . . . 7 S HB# . 15057 1 78 . 1 1 7 7 SER C C 13 176.961 0.1 . 1 . . . . 7 S CO . 15057 1 79 . 1 1 7 7 SER CA C 13 61.390 0.1 . 1 . . . . 7 S CA . 15057 1 80 . 1 1 7 7 SER CB C 13 62.231 0.1 . 1 . . . . 7 S CB . 15057 1 81 . 1 1 7 7 SER N N 15 114.926 0.1 . 1 . . . . 7 S N . 15057 1 82 . 1 1 8 8 GLY H H 1 7.784 0.01 . 1 . . . . 8 G HN . 15057 1 83 . 1 1 8 8 GLY HA2 H 1 4.023 0.01 . 1 . . . . 8 G HA2 . 15057 1 84 . 1 1 8 8 GLY HA3 H 1 3.891 0.01 . 1 . . . . 8 G HA3 . 15057 1 85 . 1 1 8 8 GLY C C 13 176.738 0.1 . 1 . . . . 8 G CO . 15057 1 86 . 1 1 8 8 GLY CA C 13 47.162 0.1 . 1 . . . . 8 G CA . 15057 1 87 . 1 1 8 8 GLY N N 15 108.649 0.1 . 1 . . . . 8 G N . 15057 1 88 . 1 1 9 9 ILE H H 1 7.902 0.01 . 1 . . . . 9 I HN . 15057 1 89 . 1 1 9 9 ILE HA H 1 3.860 0.01 . 1 . . . . 9 I HA . 15057 1 90 . 1 1 9 9 ILE HB H 1 2.223 0.01 . 1 . . . . 9 I HB . 15057 1 91 . 1 1 9 9 ILE HG12 H 1 2.084 0.01 . 1 . . . . 9 I HG1# . 15057 1 92 . 1 1 9 9 ILE HG13 H 1 2.084 0.01 . 1 . . . . 9 I HG1# . 15057 1 93 . 1 1 9 9 ILE HG21 H 1 1.225 0.01 . 1 . . . . 9 I HG2# . 15057 1 94 . 1 1 9 9 ILE HG22 H 1 1.225 0.01 . 1 . . . . 9 I HG2# . 15057 1 95 . 1 1 9 9 ILE HG23 H 1 1.225 0.01 . 1 . . . . 9 I HG2# . 15057 1 96 . 1 1 9 9 ILE HD11 H 1 0.962 0.01 . 1 . . . . 9 I HD1# . 15057 1 97 . 1 1 9 9 ILE HD12 H 1 0.962 0.01 . 1 . . . . 9 I HD1# . 15057 1 98 . 1 1 9 9 ILE HD13 H 1 0.962 0.01 . 1 . . . . 9 I HD1# . 15057 1 99 . 1 1 9 9 ILE C C 13 177.522 0.1 . 1 . . . . 9 I CO . 15057 1 100 . 1 1 9 9 ILE CA C 13 65.739 0.1 . 1 . . . . 9 I CA . 15057 1 101 . 1 1 9 9 ILE CB C 13 37.772 0.1 . 1 . . . . 9 I CB . 15057 1 102 . 1 1 9 9 ILE CG2 C 13 17.227 0.1 . 1 . . . . 9 I CG2 . 15057 1 103 . 1 1 9 9 ILE CD1 C 13 14.099 0.1 . 1 . . . . 9 I CD1 . 15057 1 104 . 1 1 9 9 ILE N N 15 124.469 0.1 . 1 . . . . 9 I N . 15057 1 105 . 1 1 10 10 LEU H H 1 8.116 0.01 . 1 . . . . 10 L HN . 15057 1 106 . 1 1 10 10 LEU HA H 1 4.333 0.01 . 1 . . . . 10 L HA . 15057 1 107 . 1 1 10 10 LEU HB2 H 1 2.207 0.01 . 1 . . . . 10 L HB2 . 15057 1 108 . 1 1 10 10 LEU HB3 H 1 1.542 0.01 . 1 . . . . 10 L HB3 . 15057 1 109 . 1 1 10 10 LEU HG H 1 2.022 0.01 . 1 . . . . 10 L HG . 15057 1 110 . 1 1 10 10 LEU HD11 H 1 1.025 0.01 . 1 . . . . 10 L HD1# . 15057 1 111 . 1 1 10 10 LEU HD12 H 1 1.025 0.01 . 1 . . . . 10 L HD1# . 15057 1 112 . 1 1 10 10 LEU HD13 H 1 1.025 0.01 . 1 . . . . 10 L HD1# . 15057 1 113 . 1 1 10 10 LEU HD21 H 1 1.025 0.01 . 1 . . . . 10 L HD2# . 15057 1 114 . 1 1 10 10 LEU HD22 H 1 1.025 0.01 . 1 . . . . 10 L HD2# . 15057 1 115 . 1 1 10 10 LEU HD23 H 1 1.025 0.01 . 1 . . . . 10 L HD2# . 15057 1 116 . 1 1 10 10 LEU C C 13 178.539 0.1 . 1 . . . . 10 L CO . 15057 1 117 . 1 1 10 10 LEU CA C 13 57.778 0.1 . 1 . . . . 10 L CA . 15057 1 118 . 1 1 10 10 LEU CB C 13 42.178 0.1 . 1 . . . . 10 L CB . 15057 1 119 . 1 1 10 10 LEU CG C 13 26.361 0.1 . 1 . . . . 10 L CG . 15057 1 120 . 1 1 10 10 LEU CD1 C 13 23.609 0.1 . 1 . . . . 10 L CD# . 15057 1 121 . 1 1 10 10 LEU CD2 C 13 23.609 0.1 . 1 . . . . 10 L CD# . 15057 1 122 . 1 1 10 10 LEU N N 15 120.903 0.1 . 1 . . . . 10 L N . 15057 1 123 . 1 1 11 11 LYS H H 1 8.453 0.01 . 1 . . . . 11 K HN . 15057 1 124 . 1 1 11 11 LYS HA H 1 4.113 0.01 . 1 . . . . 11 K HA . 15057 1 125 . 1 1 11 11 LYS HB2 H 1 1.971 0.01 . 1 . . . . 11 K HB# . 15057 1 126 . 1 1 11 11 LYS HB3 H 1 1.971 0.01 . 1 . . . . 11 K HB# . 15057 1 127 . 1 1 11 11 LYS HG2 H 1 1.534 0.01 . 1 . . . . 11 K HG2 . 15057 1 128 . 1 1 11 11 LYS HG3 H 1 1.378 0.01 . 1 . . . . 11 K HG3 . 15057 1 129 . 1 1 11 11 LYS HD2 H 1 1.646 0.01 . 1 . . . . 11 K HD# . 15057 1 130 . 1 1 11 11 LYS HD3 H 1 1.646 0.01 . 1 . . . . 11 K HD# . 15057 1 131 . 1 1 11 11 LYS HE2 H 1 2.902 0.01 . 1 . . . . 11 K HE# . 15057 1 132 . 1 1 11 11 LYS HE3 H 1 2.902 0.01 . 1 . . . . 11 K HE# . 15057 1 133 . 1 1 11 11 LYS C C 13 179.918 0.1 . 1 . . . . 11 K CO . 15057 1 134 . 1 1 11 11 LYS CA C 13 60.203 0.1 . 1 . . . . 11 K CA . 15057 1 135 . 1 1 11 11 LYS CB C 13 32.407 0.1 . 1 . . . . 11 K CB . 15057 1 136 . 1 1 11 11 LYS CG C 13 25.601 0.1 . 1 . . . . 11 K CG . 15057 1 137 . 1 1 11 11 LYS CD C 13 29.326 0.1 . 1 . . . . 11 K CD . 15057 1 138 . 1 1 11 11 LYS CE C 13 41.923 0.1 . 1 . . . . 11 K CE . 15057 1 139 . 1 1 11 11 LYS N N 15 117.877 0.1 . 1 . . . . 11 K N . 15057 1 140 . 1 1 12 12 GLU H H 1 7.803 0.01 . 1 . . . . 12 E HN . 15057 1 141 . 1 1 12 12 GLU HA H 1 4.253 0.01 . 1 . . . . 12 E HA . 15057 1 142 . 1 1 12 12 GLU HB2 H 1 2.256 0.01 . 1 . . . . 12 E HB2 . 15057 1 143 . 1 1 12 12 GLU HB3 H 1 2.198 0.01 . 1 . . . . 12 E HB3 . 15057 1 144 . 1 1 12 12 GLU HG2 H 1 2.358 0.01 . 1 . . . . 12 E HG2 . 15057 1 145 . 1 1 12 12 GLU HG3 H 1 2.268 0.01 . 1 . . . . 12 E HG3 . 15057 1 146 . 1 1 12 12 GLU C C 13 179.212 0.1 . 1 . . . . 12 E CO . 15057 1 147 . 1 1 12 12 GLU CA C 13 59.199 0.1 . 1 . . . . 12 E CA . 15057 1 148 . 1 1 12 12 GLU CB C 13 27.940 0.1 . 1 . . . . 12 E CB . 15057 1 149 . 1 1 12 12 GLU CG C 13 35.589 0.1 . 1 . . . . 12 E CG . 15057 1 150 . 1 1 12 12 GLU N N 15 120.025 0.1 . 1 . . . . 12 E N . 15057 1 151 . 1 1 13 13 MET H H 1 8.120 0.01 . 1 . . . . 13 M HN . 15057 1 152 . 1 1 13 13 MET HA H 1 3.779 0.01 . 1 . . . . 13 M HA . 15057 1 153 . 1 1 13 13 MET HB2 H 1 2.197 0.01 . 1 . . . . 13 M HB# . 15057 1 154 . 1 1 13 13 MET HB3 H 1 2.197 0.01 . 1 . . . . 13 M HB# . 15057 1 155 . 1 1 13 13 MET HG2 H 1 3.002 0.01 . 1 . . . . 13 M HG# . 15057 1 156 . 1 1 13 13 MET HG3 H 1 3.002 0.01 . 1 . . . . 13 M HG# . 15057 1 157 . 1 1 13 13 MET HE1 H 1 1.830 0.01 . 1 . . . . 13 M HE# . 15057 1 158 . 1 1 13 13 MET HE2 H 1 1.830 0.01 . 1 . . . . 13 M HE# . 15057 1 159 . 1 1 13 13 MET HE3 H 1 1.830 0.01 . 1 . . . . 13 M HE# . 15057 1 160 . 1 1 13 13 MET C C 13 176.743 0.1 . 1 . . . . 13 M CO . 15057 1 161 . 1 1 13 13 MET CA C 13 60.216 0.1 . 1 . . . . 13 M CA . 15057 1 162 . 1 1 13 13 MET CB C 13 34.068 0.1 . 1 . . . . 13 M CB . 15057 1 163 . 1 1 13 13 MET CG C 13 31.888 0.1 . 1 . . . . 13 M CG . 15057 1 164 . 1 1 13 13 MET CE C 13 15.409 0.1 . 1 . . . . 13 M CE . 15057 1 165 . 1 1 13 13 MET N N 15 118.020 0.1 . 1 . . . . 13 M N . 15057 1 166 . 1 1 14 14 PHE H H 1 7.769 0.01 . 1 . . . . 14 F HN . 15057 1 167 . 1 1 14 14 PHE HA H 1 4.368 0.01 . 1 . . . . 14 F HA . 15057 1 168 . 1 1 14 14 PHE HB2 H 1 3.277 0.01 . 1 . . . . 14 F HB2 . 15057 1 169 . 1 1 14 14 PHE HB3 H 1 2.839 0.01 . 1 . . . . 14 F HB3 . 15057 1 170 . 1 1 14 14 PHE HD1 H 1 7.109 0.01 . 1 . . . . 14 F HD1 . 15057 1 171 . 1 1 14 14 PHE HD2 H 1 6.862 0.01 . 1 . . . . 14 F HD2 . 15057 1 172 . 1 1 14 14 PHE HE1 H 1 6.978 0.01 . 1 . . . . 14 F HE1 . 15057 1 173 . 1 1 14 14 PHE HE2 H 1 6.743 0.01 . 1 . . . . 14 F HE2 . 15057 1 174 . 1 1 14 14 PHE HZ H 1 6.605 0.01 . 1 . . . . 14 F HZ . 15057 1 175 . 1 1 14 14 PHE C C 13 175.462 0.1 . 1 . . . . 14 F CO . 15057 1 176 . 1 1 14 14 PHE CA C 13 60.417 0.1 . 1 . . . . 14 F CA . 15057 1 177 . 1 1 14 14 PHE CB C 13 40.950 0.1 . 1 . . . . 14 F CB . 15057 1 178 . 1 1 14 14 PHE N N 15 117.040 0.1 . 1 . . . . 14 F N . 15057 1 179 . 1 1 15 15 ALA H H 1 7.987 0.01 . 1 . . . . 15 A HN . 15057 1 180 . 1 1 15 15 ALA HA H 1 4.381 0.01 . 1 . . . . 15 A HA . 15057 1 181 . 1 1 15 15 ALA HB1 H 1 1.737 0.01 . 1 . . . . 15 A HB# . 15057 1 182 . 1 1 15 15 ALA HB2 H 1 1.737 0.01 . 1 . . . . 15 A HB# . 15057 1 183 . 1 1 15 15 ALA HB3 H 1 1.737 0.01 . 1 . . . . 15 A HB# . 15057 1 184 . 1 1 15 15 ALA C C 13 180.221 0.1 . 1 . . . . 15 A CO . 15057 1 185 . 1 1 15 15 ALA CA C 13 53.094 0.1 . 1 . . . . 15 A CA . 15057 1 186 . 1 1 15 15 ALA CB C 13 20.131 0.1 . 1 . . . . 15 A CB . 15057 1 187 . 1 1 15 15 ALA N N 15 123.660 0.1 . 1 . . . . 15 A N . 15057 1 188 . 1 1 16 16 LYS H H 1 9.027 0.01 . 1 . . . . 16 K HN . 15057 1 189 . 1 1 16 16 LYS HA H 1 4.053 0.01 . 1 . . . . 16 K HA . 15057 1 190 . 1 1 16 16 LYS HB2 H 1 1.855 0.01 . 1 . . . . 16 K HB# . 15057 1 191 . 1 1 16 16 LYS HB3 H 1 1.855 0.01 . 1 . . . . 16 K HB# . 15057 1 192 . 1 1 16 16 LYS HG2 H 1 1.506 0.01 . 1 . . . . 16 K HG# . 15057 1 193 . 1 1 16 16 LYS HG3 H 1 1.506 0.01 . 1 . . . . 16 K HG# . 15057 1 194 . 1 1 16 16 LYS HD2 H 1 1.662 0.01 . 1 . . . . 16 K HD# . 15057 1 195 . 1 1 16 16 LYS HD3 H 1 1.662 0.01 . 1 . . . . 16 K HD# . 15057 1 196 . 1 1 16 16 LYS HE2 H 1 2.944 0.01 . 1 . . . . 16 K HE# . 15057 1 197 . 1 1 16 16 LYS HE3 H 1 2.944 0.01 . 1 . . . . 16 K HE# . 15057 1 198 . 1 1 16 16 LYS C C 13 179.094 0.1 . 1 . . . . 16 K CO . 15057 1 199 . 1 1 16 16 LYS CA C 13 59.573 0.1 . 1 . . . . 16 K CA . 15057 1 200 . 1 1 16 16 LYS CB C 13 31.630 0.1 . 1 . . . . 16 K CB . 15057 1 201 . 1 1 16 16 LYS CG C 13 24.956 0.1 . 1 . . . . 16 K CG . 15057 1 202 . 1 1 16 16 LYS CD C 13 28.738 0.1 . 1 . . . . 16 K CD . 15057 1 203 . 1 1 16 16 LYS CE C 13 42.127 0.1 . 1 . . . . 16 K CE . 15057 1 204 . 1 1 16 16 LYS N N 15 124.711 0.1 . 1 . . . . 16 K N . 15057 1 205 . 1 1 17 17 LYS H H 1 8.290 0.01 . 1 . . . . 17 K HN . 15057 1 206 . 1 1 17 17 LYS HA H 1 4.002 0.01 . 1 . . . . 17 K HA . 15057 1 207 . 1 1 17 17 LYS HB2 H 1 1.688 0.01 . 1 . . . . 17 K HB2 . 15057 1 208 . 1 1 17 17 LYS HB3 H 1 1.270 0.01 . 1 . . . . 17 K HB3 . 15057 1 209 . 1 1 17 17 LYS HG2 H 1 0.826 0.01 . 1 . . . . 17 K HG2 . 15057 1 210 . 1 1 17 17 LYS HG3 H 1 0.396 0.01 . 1 . . . . 17 K HG3 . 15057 1 211 . 1 1 17 17 LYS HD2 H 1 1.501 0.01 . 1 . . . . 17 K HD# . 15057 1 212 . 1 1 17 17 LYS HD3 H 1 1.501 0.01 . 1 . . . . 17 K HD# . 15057 1 213 . 1 1 17 17 LYS HE2 H 1 2.836 0.01 . 1 . . . . 17 K HE# . 15057 1 214 . 1 1 17 17 LYS HE3 H 1 2.836 0.01 . 1 . . . . 17 K HE# . 15057 1 215 . 1 1 17 17 LYS HZ1 H 1 7.922 0.01 . 1 . . . . 17 K HZ# . 15057 1 216 . 1 1 17 17 LYS HZ2 H 1 7.922 0.01 . 1 . . . . 17 K HZ# . 15057 1 217 . 1 1 17 17 LYS HZ3 H 1 7.922 0.01 . 1 . . . . 17 K HZ# . 15057 1 218 . 1 1 17 17 LYS C C 13 176.936 0.1 . 1 . . . . 17 K CO . 15057 1 219 . 1 1 17 17 LYS CA C 13 58.529 0.1 . 1 . . . . 17 K CA . 15057 1 220 . 1 1 17 17 LYS CB C 13 31.544 0.1 . 1 . . . . 17 K CB . 15057 1 221 . 1 1 17 17 LYS CG C 13 23.236 0.1 . 1 . . . . 17 K CG . 15057 1 222 . 1 1 17 17 LYS CD C 13 29.138 0.1 . 1 . . . . 17 K CD . 15057 1 223 . 1 1 17 17 LYS CE C 13 41.495 0.1 . 1 . . . . 17 K CE . 15057 1 224 . 1 1 17 17 LYS N N 15 116.559 0.1 . 1 . . . . 17 K N . 15057 1 225 . 1 1 18 18 HIS H H 1 7.005 0.01 . 1 . . . . 18 H HN . 15057 1 226 . 1 1 18 18 HIS HA H 1 4.562 0.01 . 1 . . . . 18 H HA . 15057 1 227 . 1 1 18 18 HIS HB2 H 1 3.200 0.01 . 1 . . . . 18 H HB2 . 15057 1 228 . 1 1 18 18 HIS HB3 H 1 2.769 0.01 . 1 . . . . 18 H HB3 . 15057 1 229 . 1 1 18 18 HIS C C 13 175.081 0.1 . 1 . . . . 18 H CO . 15057 1 230 . 1 1 18 18 HIS CA C 13 54.349 0.1 . 1 . . . . 18 H CA . 15057 1 231 . 1 1 18 18 HIS CB C 13 31.237 0.1 . 1 . . . . 18 H CB . 15057 1 232 . 1 1 18 18 HIS N N 15 115.657 0.1 . 1 . . . . 18 H N . 15057 1 233 . 1 1 19 19 ALA H H 1 7.596 0.01 . 1 . . . . 19 A HN . 15057 1 234 . 1 1 19 19 ALA HA H 1 4.131 0.01 . 1 . . . . 19 A HA . 15057 1 235 . 1 1 19 19 ALA HB1 H 1 1.557 0.01 . 1 . . . . 19 A HB# . 15057 1 236 . 1 1 19 19 ALA HB2 H 1 1.557 0.01 . 1 . . . . 19 A HB# . 15057 1 237 . 1 1 19 19 ALA HB3 H 1 1.557 0.01 . 1 . . . . 19 A HB# . 15057 1 238 . 1 1 19 19 ALA C C 13 178.841 0.1 . 1 . . . . 19 A CO . 15057 1 239 . 1 1 19 19 ALA CA C 13 55.883 0.1 . 1 . . . . 19 A CA . 15057 1 240 . 1 1 19 19 ALA CB C 13 19.672 0.1 . 1 . . . . 19 A CB . 15057 1 241 . 1 1 19 19 ALA N N 15 122.301 0.1 . 1 . . . . 19 A N . 15057 1 242 . 1 1 20 20 ALA H H 1 8.498 0.01 . 1 . . . . 20 A HN . 15057 1 243 . 1 1 20 20 ALA HA H 1 4.326 0.01 . 1 . . . . 20 A HA . 15057 1 244 . 1 1 20 20 ALA HB1 H 1 1.535 0.01 . 1 . . . . 20 A HB# . 15057 1 245 . 1 1 20 20 ALA HB2 H 1 1.535 0.01 . 1 . . . . 20 A HB# . 15057 1 246 . 1 1 20 20 ALA HB3 H 1 1.535 0.01 . 1 . . . . 20 A HB# . 15057 1 247 . 1 1 20 20 ALA C C 13 178.083 0.1 . 1 . . . . 20 A CO . 15057 1 248 . 1 1 20 20 ALA CA C 13 54.687 0.1 . 1 . . . . 20 A CA . 15057 1 249 . 1 1 20 20 ALA CB C 13 18.805 0.1 . 1 . . . . 20 A CB . 15057 1 250 . 1 1 20 20 ALA N N 15 116.854 0.1 . 1 . . . . 20 A N . 15057 1 251 . 1 1 21 21 TYR H H 1 6.972 0.01 . 1 . . . . 21 Y HN . 15057 1 252 . 1 1 21 21 TYR HA H 1 5.198 0.01 . 1 . . . . 21 Y HA . 15057 1 253 . 1 1 21 21 TYR HB2 H 1 3.620 0.01 . 1 . . . . 21 Y HB2 . 15057 1 254 . 1 1 21 21 TYR HB3 H 1 3.064 0.01 . 1 . . . . 21 Y HB3 . 15057 1 255 . 1 1 21 21 TYR C C 13 173.623 0.1 . 1 . . . . 21 Y CO . 15057 1 256 . 1 1 21 21 TYR CA C 13 54.613 0.1 . 1 . . . . 21 Y CA . 15057 1 257 . 1 1 21 21 TYR CB C 13 38.730 0.1 . 1 . . . . 21 Y CB . 15057 1 258 . 1 1 21 21 TYR N N 15 110.560 0.1 . 1 . . . . 21 Y N . 15057 1 259 . 1 1 22 22 ALA H H 1 7.869 0.01 . 1 . . . . 22 A HN . 15057 1 260 . 1 1 22 22 ALA HA H 1 4.715 0.01 . 1 . . . . 22 A HA . 15057 1 261 . 1 1 22 22 ALA HB1 H 1 1.448 0.01 . 1 . . . . 22 A HB# . 15057 1 262 . 1 1 22 22 ALA HB2 H 1 1.448 0.01 . 1 . . . . 22 A HB# . 15057 1 263 . 1 1 22 22 ALA HB3 H 1 1.448 0.01 . 1 . . . . 22 A HB# . 15057 1 264 . 1 1 22 22 ALA C C 13 177.208 0.1 . 1 . . . . 22 A CO . 15057 1 265 . 1 1 22 22 ALA CA C 13 52.313 0.1 . 1 . . . . 22 A CA . 15057 1 266 . 1 1 22 22 ALA CB C 13 22.398 0.1 . 1 . . . . 22 A CB . 15057 1 267 . 1 1 22 22 ALA N N 15 119.432 0.1 . 1 . . . . 22 A N . 15057 1 268 . 1 1 23 23 TRP H H 1 6.810 0.01 . 1 . . . . 23 W HN . 15057 1 269 . 1 1 23 23 TRP HA H 1 2.528 0.01 . 1 . . . . 23 W HA . 15057 1 270 . 1 1 23 23 TRP HB2 H 1 3.280 0.01 . 1 . . . . 23 W HB2 . 15057 1 271 . 1 1 23 23 TRP HB3 H 1 2.941 0.01 . 1 . . . . 23 W HB3 . 15057 1 272 . 1 1 23 23 TRP C C 13 175.333 0.1 . 1 . . . . 23 W CO . 15057 1 273 . 1 1 23 23 TRP CA C 13 59.013 0.1 . 1 . . . . 23 W CA . 15057 1 274 . 1 1 23 23 TRP CB C 13 27.339 0.1 . 1 . . . . 23 W CB . 15057 1 275 . 1 1 23 23 TRP N N 15 114.681 0.1 . 1 . . . . 23 W N . 15057 1 276 . 1 1 24 24 PRO HA H 1 3.561 0.01 . 1 . . . . 24 P HA . 15057 1 277 . 1 1 24 24 PRO HB2 H 1 1.228 0.01 . 1 . . . . 24 P HB2 . 15057 1 278 . 1 1 24 24 PRO HB3 H 1 -0.515 0.01 . 1 . . . . 24 P HB3 . 15057 1 279 . 1 1 24 24 PRO HG2 H 1 0.875 0.01 . 1 . . . . 24 P HG# . 15057 1 280 . 1 1 24 24 PRO HG3 H 1 0.875 0.01 . 1 . . . . 24 P HG# . 15057 1 281 . 1 1 24 24 PRO C C 13 176.541 0.1 . 1 . . . . 24 P CO . 15057 1 282 . 1 1 24 24 PRO CA C 13 64.932 0.1 . 1 . . . . 24 P CA . 15057 1 283 . 1 1 24 24 PRO CB C 13 29.949 0.1 . 1 . . . . 24 P CB . 15057 1 284 . 1 1 24 24 PRO CG C 13 27.567 0.1 . 1 . . . . 24 P CG . 15057 1 285 . 1 1 24 24 PRO CD C 13 50.717 0.1 . 1 . . . . 24 P CD . 15057 1 286 . 1 1 25 25 PHE H H 1 7.572 0.01 . 1 . . . . 25 F HN . 15057 1 287 . 1 1 25 25 PHE HA H 1 4.437 0.01 . 1 . . . . 25 F HA . 15057 1 288 . 1 1 25 25 PHE HB2 H 1 3.743 0.01 . 1 . . . . 25 F HB2 . 15057 1 289 . 1 1 25 25 PHE HB3 H 1 2.709 0.01 . 1 . . . . 25 F HB3 . 15057 1 290 . 1 1 25 25 PHE HD1 H 1 7.282 0.01 . 1 . . . . 25 F HD# . 15057 1 291 . 1 1 25 25 PHE HD2 H 1 7.282 0.01 . 1 . . . . 25 F HD# . 15057 1 292 . 1 1 25 25 PHE HE1 H 1 7.043 0.01 . 1 . . . . 25 F HE# . 15057 1 293 . 1 1 25 25 PHE HE2 H 1 7.043 0.01 . 1 . . . . 25 F HE# . 15057 1 294 . 1 1 25 25 PHE C C 13 175.279 0.1 . 1 . . . . 25 F CO . 15057 1 295 . 1 1 25 25 PHE CA C 13 57.356 0.1 . 1 . . . . 25 F CA . 15057 1 296 . 1 1 25 25 PHE CB C 13 38.104 0.1 . 1 . . . . 25 F CB . 15057 1 297 . 1 1 25 25 PHE N N 15 113.432 0.1 . 1 . . . . 25 F N . 15057 1 298 . 1 1 26 26 TYR H H 1 7.265 0.01 . 1 . . . . 26 Y HN . 15057 1 299 . 1 1 26 26 TYR HA H 1 4.459 0.01 . 1 . . . . 26 Y HA . 15057 1 300 . 1 1 26 26 TYR HB2 H 1 3.456 0.01 . 1 . . . . 26 Y HB2 . 15057 1 301 . 1 1 26 26 TYR HB3 H 1 3.323 0.01 . 1 . . . . 26 Y HB3 . 15057 1 302 . 1 1 26 26 TYR HD1 H 1 7.103 0.01 . 1 . . . . 26 Y HD# . 15057 1 303 . 1 1 26 26 TYR HD2 H 1 7.103 0.01 . 1 . . . . 26 Y HD# . 15057 1 304 . 1 1 26 26 TYR HE1 H 1 6.746 0.01 . 1 . . . . 26 Y HE# . 15057 1 305 . 1 1 26 26 TYR HE2 H 1 6.746 0.01 . 1 . . . . 26 Y HE# . 15057 1 306 . 1 1 26 26 TYR C C 13 175.380 0.1 . 1 . . . . 26 Y CO . 15057 1 307 . 1 1 26 26 TYR CA C 13 57.922 0.1 . 1 . . . . 26 Y CA . 15057 1 308 . 1 1 26 26 TYR CB C 13 38.177 0.1 . 1 . . . . 26 Y CB . 15057 1 309 . 1 1 26 26 TYR N N 15 117.456 0.1 . 1 . . . . 26 Y N . 15057 1 310 . 1 1 27 27 LYS H H 1 7.792 0.01 . 1 . . . . 27 K HN . 15057 1 311 . 1 1 27 27 LYS HA H 1 4.938 0.01 . 1 . . . . 27 K HA . 15057 1 312 . 1 1 27 27 LYS HB2 H 1 1.819 0.01 . 1 . . . . 27 K HB2 . 15057 1 313 . 1 1 27 27 LYS HB3 H 1 1.605 0.01 . 1 . . . . 27 K HB3 . 15057 1 314 . 1 1 27 27 LYS HG2 H 1 1.459 0.01 . 1 . . . . 27 K HG# . 15057 1 315 . 1 1 27 27 LYS HG3 H 1 1.459 0.01 . 1 . . . . 27 K HG# . 15057 1 316 . 1 1 27 27 LYS HD2 H 1 1.739 0.01 . 1 . . . . 27 K HD# . 15057 1 317 . 1 1 27 27 LYS HD3 H 1 1.739 0.01 . 1 . . . . 27 K HD# . 15057 1 318 . 1 1 27 27 LYS HE2 H 1 3.002 0.01 . 1 . . . . 27 K HE# . 15057 1 319 . 1 1 27 27 LYS HE3 H 1 3.002 0.01 . 1 . . . . 27 K HE# . 15057 1 320 . 1 1 27 27 LYS C C 13 172.694 0.1 . 1 . . . . 27 K CO . 15057 1 321 . 1 1 27 27 LYS CA C 13 53.326 0.1 . 1 . . . . 27 K CA . 15057 1 322 . 1 1 27 27 LYS CB C 13 33.729 0.1 . 1 . . . . 27 K CB . 15057 1 323 . 1 1 27 27 LYS CG C 13 24.678 0.1 . 1 . . . . 27 K CG . 15057 1 324 . 1 1 27 27 LYS CD C 13 29.063 0.1 . 1 . . . . 27 K CD . 15057 1 325 . 1 1 27 27 LYS N N 15 115.373 0.1 . 1 . . . . 27 K N . 15057 1 326 . 1 1 28 28 PRO HA H 1 4.056 0.01 . 1 . . . . 28 P HA . 15057 1 327 . 1 1 28 28 PRO HB2 H 1 2.192 0.01 . 1 . . . . 28 P HB2 . 15057 1 328 . 1 1 28 28 PRO HB3 H 1 1.526 0.01 . 1 . . . . 28 P HB3 . 15057 1 329 . 1 1 28 28 PRO HG2 H 1 2.013 0.01 . 1 . . . . 28 P HG2 . 15057 1 330 . 1 1 28 28 PRO HG3 H 1 1.889 0.01 . 1 . . . . 28 P HG3 . 15057 1 331 . 1 1 28 28 PRO HD2 H 1 3.657 0.01 . 1 . . . . 28 P HD2 . 15057 1 332 . 1 1 28 28 PRO HD3 H 1 3.430 0.01 . 1 . . . . 28 P HD3 . 15057 1 333 . 1 1 28 28 PRO C C 13 176.985 0.1 . 1 . . . . 28 P CO . 15057 1 334 . 1 1 28 28 PRO CA C 13 63.038 0.1 . 1 . . . . 28 P CA . 15057 1 335 . 1 1 28 28 PRO CB C 13 31.797 0.1 . 1 . . . . 28 P CB . 15057 1 336 . 1 1 28 28 PRO CG C 13 27.243 0.1 . 1 . . . . 28 P CG . 15057 1 337 . 1 1 28 28 PRO CD C 13 51.534 0.1 . 1 . . . . 28 P CD . 15057 1 338 . 1 1 29 29 VAL H H 1 8.431 0.01 . 1 . . . . 29 V HN . 15057 1 339 . 1 1 29 29 VAL HA H 1 3.324 0.01 . 1 . . . . 29 V HA . 15057 1 340 . 1 1 29 29 VAL HB H 1 1.270 0.01 . 1 . . . . 29 V HB . 15057 1 341 . 1 1 29 29 VAL HG11 H 1 0.709 0.01 . 1 . . . . 29 V HG1# . 15057 1 342 . 1 1 29 29 VAL HG12 H 1 0.709 0.01 . 1 . . . . 29 V HG1# . 15057 1 343 . 1 1 29 29 VAL HG13 H 1 0.709 0.01 . 1 . . . . 29 V HG1# . 15057 1 344 . 1 1 29 29 VAL HG21 H 1 0.002 0.01 . 1 . . . . 29 V HG2# . 15057 1 345 . 1 1 29 29 VAL HG22 H 1 0.002 0.01 . 1 . . . . 29 V HG2# . 15057 1 346 . 1 1 29 29 VAL HG23 H 1 0.002 0.01 . 1 . . . . 29 V HG2# . 15057 1 347 . 1 1 29 29 VAL C C 13 176.103 0.1 . 1 . . . . 29 V CO . 15057 1 348 . 1 1 29 29 VAL CA C 13 63.960 0.1 . 1 . . . . 29 V CA . 15057 1 349 . 1 1 29 29 VAL CB C 13 31.665 0.1 . 1 . . . . 29 V CB . 15057 1 350 . 1 1 29 29 VAL CG1 C 13 20.586 0.1 . 1 . . . . 29 V CG# . 15057 1 351 . 1 1 29 29 VAL CG2 C 13 20.586 0.1 . 1 . . . . 29 V CG# . 15057 1 352 . 1 1 29 29 VAL N N 15 125.212 0.1 . 1 . . . . 29 V N . 15057 1 353 . 1 1 30 30 ASP H H 1 8.446 0.01 . 1 . . . . 30 D HN . 15057 1 354 . 1 1 30 30 ASP HA H 1 4.515 0.01 . 1 . . . . 30 D HA . 15057 1 355 . 1 1 30 30 ASP HB2 H 1 2.910 0.01 . 1 . . . . 30 D HB2 . 15057 1 356 . 1 1 30 30 ASP HB3 H 1 2.353 0.01 . 1 . . . . 30 D HB3 . 15057 1 357 . 1 1 30 30 ASP C C 13 175.370 0.1 . 1 . . . . 30 D CO . 15057 1 358 . 1 1 30 30 ASP CA C 13 52.160 0.1 . 1 . . . . 30 D CA . 15057 1 359 . 1 1 30 30 ASP CB C 13 39.638 0.1 . 1 . . . . 30 D CB . 15057 1 360 . 1 1 30 30 ASP N N 15 128.854 0.1 . 1 . . . . 30 D N . 15057 1 361 . 1 1 31 31 VAL H H 1 7.600 0.01 . 1 . . . . 31 V HN . 15057 1 362 . 1 1 31 31 VAL HA H 1 3.450 0.01 . 1 . . . . 31 V HA . 15057 1 363 . 1 1 31 31 VAL HB H 1 2.180 0.01 . 1 . . . . 31 V HB . 15057 1 364 . 1 1 31 31 VAL HG11 H 1 0.838 0.01 . 1 . . . . 31 V HG1# . 15057 1 365 . 1 1 31 31 VAL HG12 H 1 0.838 0.01 . 1 . . . . 31 V HG1# . 15057 1 366 . 1 1 31 31 VAL HG13 H 1 0.838 0.01 . 1 . . . . 31 V HG1# . 15057 1 367 . 1 1 31 31 VAL HG21 H 1 0.838 0.01 . 1 . . . . 31 V HG2# . 15057 1 368 . 1 1 31 31 VAL HG22 H 1 0.838 0.01 . 1 . . . . 31 V HG2# . 15057 1 369 . 1 1 31 31 VAL HG23 H 1 0.838 0.01 . 1 . . . . 31 V HG2# . 15057 1 370 . 1 1 31 31 VAL C C 13 177.529 0.1 . 1 . . . . 31 V CO . 15057 1 371 . 1 1 31 31 VAL CA C 13 64.915 0.1 . 1 . . . . 31 V CA . 15057 1 372 . 1 1 31 31 VAL CB C 13 31.197 0.1 . 1 . . . . 31 V CB . 15057 1 373 . 1 1 31 31 VAL CG1 C 13 19.657 0.1 . 1 . . . . 31 V CG# . 15057 1 374 . 1 1 31 31 VAL CG2 C 13 19.657 0.1 . 1 . . . . 31 V CG# . 15057 1 375 . 1 1 31 31 VAL N N 15 119.475 0.1 . 1 . . . . 31 V N . 15057 1 376 . 1 1 32 32 GLU H H 1 8.177 0.01 . 1 . . . . 32 E HN . 15057 1 377 . 1 1 32 32 GLU HA H 1 4.088 0.01 . 1 . . . . 32 E HA . 15057 1 378 . 1 1 32 32 GLU HB2 H 1 1.984 0.01 . 1 . . . . 32 E HB# . 15057 1 379 . 1 1 32 32 GLU HB3 H 1 1.984 0.01 . 1 . . . . 32 E HB# . 15057 1 380 . 1 1 32 32 GLU HG2 H 1 2.245 0.01 . 1 . . . . 32 E HG2 . 15057 1 381 . 1 1 32 32 GLU HG3 H 1 2.138 0.01 . 1 . . . . 32 E HG3 . 15057 1 382 . 1 1 32 32 GLU C C 13 178.597 0.1 . 1 . . . . 32 E CO . 15057 1 383 . 1 1 32 32 GLU CA C 13 57.863 0.1 . 1 . . . . 32 E CA . 15057 1 384 . 1 1 32 32 GLU CB C 13 29.147 0.1 . 1 . . . . 32 E CB . 15057 1 385 . 1 1 32 32 GLU CG C 13 36.091 0.1 . 1 . . . . 32 E CG . 15057 1 386 . 1 1 32 32 GLU N N 15 119.210 0.1 . 1 . . . . 32 E N . 15057 1 387 . 1 1 33 33 ALA H H 1 7.701 0.01 . 1 . . . . 33 A HN . 15057 1 388 . 1 1 33 33 ALA HA H 1 4.055 0.01 . 1 . . . . 33 A HA . 15057 1 389 . 1 1 33 33 ALA HB1 H 1 1.320 0.01 . 1 . . . . 33 A HB# . 15057 1 390 . 1 1 33 33 ALA HB2 H 1 1.320 0.01 . 1 . . . . 33 A HB# . 15057 1 391 . 1 1 33 33 ALA HB3 H 1 1.320 0.01 . 1 . . . . 33 A HB# . 15057 1 392 . 1 1 33 33 ALA C C 13 179.451 0.1 . 1 . . . . 33 A CO . 15057 1 393 . 1 1 33 33 ALA CA C 13 53.694 0.1 . 1 . . . . 33 A CA . 15057 1 394 . 1 1 33 33 ALA CB C 13 18.939 0.1 . 1 . . . . 33 A CB . 15057 1 395 . 1 1 33 33 ALA N N 15 123.347 0.1 . 1 . . . . 33 A N . 15057 1 396 . 1 1 34 34 LEU H H 1 7.838 0.01 . 1 . . . . 34 L HN . 15057 1 397 . 1 1 34 34 LEU HA H 1 4.126 0.01 . 1 . . . . 34 L HA . 15057 1 398 . 1 1 34 34 LEU HB2 H 1 1.513 0.01 . 1 . . . . 34 L HB# . 15057 1 399 . 1 1 34 34 LEU HB3 H 1 1.513 0.01 . 1 . . . . 34 L HB# . 15057 1 400 . 1 1 34 34 LEU HG H 1 1.655 0.01 . 1 . . . . 34 L HG . 15057 1 401 . 1 1 34 34 LEU HD11 H 1 0.818 0.01 . 1 . . . . 34 L HD1# . 15057 1 402 . 1 1 34 34 LEU HD12 H 1 0.818 0.01 . 1 . . . . 34 L HD1# . 15057 1 403 . 1 1 34 34 LEU HD13 H 1 0.818 0.01 . 1 . . . . 34 L HD1# . 15057 1 404 . 1 1 34 34 LEU HD21 H 1 0.818 0.01 . 1 . . . . 34 L HD2# . 15057 1 405 . 1 1 34 34 LEU HD22 H 1 0.818 0.01 . 1 . . . . 34 L HD2# . 15057 1 406 . 1 1 34 34 LEU HD23 H 1 0.818 0.01 . 1 . . . . 34 L HD2# . 15057 1 407 . 1 1 34 34 LEU C C 13 177.648 0.1 . 1 . . . . 34 L CO . 15057 1 408 . 1 1 34 34 LEU CA C 13 55.622 0.1 . 1 . . . . 34 L CA . 15057 1 409 . 1 1 34 34 LEU CB C 13 42.452 0.1 . 1 . . . . 34 L CB . 15057 1 410 . 1 1 34 34 LEU CG C 13 26.860 0.1 . 1 . . . . 34 L CG . 15057 1 411 . 1 1 34 34 LEU CD1 C 13 23.101 0.1 . 1 . . . . 34 L CD1 . 15057 1 412 . 1 1 34 34 LEU CD2 C 13 25.784 0.1 . 1 . . . . 34 L CD2 . 15057 1 413 . 1 1 34 34 LEU N N 15 116.345 0.1 . 1 . . . . 34 L N . 15057 1 414 . 1 1 35 35 GLY H H 1 7.862 0.01 . 1 . . . . 35 G HN . 15057 1 415 . 1 1 35 35 GLY HA2 H 1 3.933 0.01 . 1 . . . . 35 G HA2 . 15057 1 416 . 1 1 35 35 GLY HA3 H 1 3.705 0.01 . 1 . . . . 35 G HA3 . 15057 1 417 . 1 1 35 35 GLY C C 13 174.834 0.1 . 1 . . . . 35 G CO . 15057 1 418 . 1 1 35 35 GLY CA C 13 46.243 0.1 . 1 . . . . 35 G CA . 15057 1 419 . 1 1 35 35 GLY N N 15 109.649 0.1 . 1 . . . . 35 G N . 15057 1 420 . 1 1 36 36 LEU H H 1 7.735 0.01 . 1 . . . . 36 L HN . 15057 1 421 . 1 1 36 36 LEU HA H 1 4.655 0.01 . 1 . . . . 36 L HA . 15057 1 422 . 1 1 36 36 LEU HB2 H 1 1.642 0.01 . 1 . . . . 36 L HB2 . 15057 1 423 . 1 1 36 36 LEU HB3 H 1 1.529 0.01 . 1 . . . . 36 L HB3 . 15057 1 424 . 1 1 36 36 LEU HG H 1 1.414 0.01 . 1 . . . . 36 L HG . 15057 1 425 . 1 1 36 36 LEU HD11 H 1 0.839 0.01 . 1 . . . . 36 L HD1# . 15057 1 426 . 1 1 36 36 LEU HD12 H 1 0.839 0.01 . 1 . . . . 36 L HD1# . 15057 1 427 . 1 1 36 36 LEU HD13 H 1 0.839 0.01 . 1 . . . . 36 L HD1# . 15057 1 428 . 1 1 36 36 LEU HD21 H 1 0.651 0.01 . 1 . . . . 36 L HD2# . 15057 1 429 . 1 1 36 36 LEU HD22 H 1 0.651 0.01 . 1 . . . . 36 L HD2# . 15057 1 430 . 1 1 36 36 LEU HD23 H 1 0.651 0.01 . 1 . . . . 36 L HD2# . 15057 1 431 . 1 1 36 36 LEU C C 13 177.382 0.1 . 1 . . . . 36 L CO . 15057 1 432 . 1 1 36 36 LEU CA C 13 52.921 0.1 . 1 . . . . 36 L CA . 15057 1 433 . 1 1 36 36 LEU CB C 13 40.785 0.1 . 1 . . . . 36 L CB . 15057 1 434 . 1 1 36 36 LEU CG C 13 26.148 0.1 . 1 . . . . 36 L CG . 15057 1 435 . 1 1 36 36 LEU CD1 C 13 22.397 0.1 . 1 . . . . 36 L CD1 . 15057 1 436 . 1 1 36 36 LEU CD2 C 13 25.561 0.1 . 1 . . . . 36 L CD2 . 15057 1 437 . 1 1 36 36 LEU N N 15 119.338 0.1 . 1 . . . . 36 L N . 15057 1 438 . 1 1 37 37 HIS H H 1 8.138 0.01 . 1 . . . . 37 H HN . 15057 1 439 . 1 1 37 37 HIS HA H 1 4.494 0.1 . 1 . . . . 37 H HA . 15057 1 440 . 1 1 37 37 HIS HB2 H 1 3.256 0.1 . 1 . . . . 37 H HB2 . 15057 1 441 . 1 1 37 37 HIS HB3 H 1 3.179 0.1 . 1 . . . . 37 H HB3 . 15057 1 442 . 1 1 37 37 HIS HD2 H 1 7.253 0.01 . 1 . . . . 37 H HD2 . 15057 1 443 . 1 1 37 37 HIS C C 13 174.932 0.1 . 1 . . . . 37 H CO . 15057 1 444 . 1 1 37 37 HIS CA C 13 57.607 0.01 . 1 . . . . 37 H CA . 15057 1 445 . 1 1 37 37 HIS CB C 13 28.732 0.1 . 1 . . . . 37 H CB . 15057 1 446 . 1 1 37 37 HIS N N 15 119.609 0.01 . 1 . . . . 37 H N . 15057 1 447 . 1 1 38 38 ASP H H 1 8.496 0.01 . 1 . . . . 38 D HN . 15057 1 448 . 1 1 38 38 ASP HA H 1 4.645 0.01 . 1 . . . . 38 D HA . 15057 1 449 . 1 1 38 38 ASP HB2 H 1 3.031 0.01 . 1 . . . . 38 D HB2 . 15057 1 450 . 1 1 38 38 ASP HB3 H 1 2.587 0.01 . 1 . . . . 38 D HB3 . 15057 1 451 . 1 1 38 38 ASP C C 13 177.487 0.1 . 1 . . . . 38 D CO . 15057 1 452 . 1 1 38 38 ASP CA C 13 53.292 0.1 . 1 . . . . 38 D CA . 15057 1 453 . 1 1 38 38 ASP CB C 13 40.572 0.1 . 1 . . . . 38 D CB . 15057 1 454 . 1 1 38 38 ASP N N 15 116.708 0.1 . 1 . . . . 38 D N . 15057 1 455 . 1 1 39 39 TYR H H 1 7.666 0.01 . 1 . . . . 39 Y HN . 15057 1 456 . 1 1 39 39 TYR HA H 1 3.670 0.01 . 1 . . . . 39 Y HA . 15057 1 457 . 1 1 39 39 TYR HB2 H 1 2.776 0.01 . 1 . . . . 39 Y HB2 . 15057 1 458 . 1 1 39 39 TYR HB3 H 1 2.746 0.01 . 1 . . . . 39 Y HB3 . 15057 1 459 . 1 1 39 39 TYR HD1 H 1 5.986 0.01 . 1 . . . . 39 Y HD# . 15057 1 460 . 1 1 39 39 TYR HD2 H 1 5.986 0.01 . 1 . . . . 39 Y HD# . 15057 1 461 . 1 1 39 39 TYR HE1 H 1 6.136 0.01 . 1 . . . . 39 Y HE# . 15057 1 462 . 1 1 39 39 TYR HE2 H 1 6.136 0.01 . 1 . . . . 39 Y HE# . 15057 1 463 . 1 1 39 39 TYR C C 13 176.919 0.1 . 1 . . . . 39 Y CO . 15057 1 464 . 1 1 39 39 TYR CA C 13 63.453 0.1 . 1 . . . . 39 Y CA . 15057 1 465 . 1 1 39 39 TYR CB C 13 39.584 0.1 . 1 . . . . 39 Y CB . 15057 1 466 . 1 1 39 39 TYR N N 15 123.346 0.1 . 1 . . . . 39 Y N . 15057 1 467 . 1 1 40 40 CYS H H 1 8.381 0.01 . 1 . . . . 40 C HN . 15057 1 468 . 1 1 40 40 CYS HA H 1 4.312 0.01 . 1 . . . . 40 C HA . 15057 1 469 . 1 1 40 40 CYS HB2 H 1 3.021 0.01 . 1 . . . . 40 C HB2 . 15057 1 470 . 1 1 40 40 CYS HB3 H 1 2.765 0.01 . 1 . . . . 40 C HB3 . 15057 1 471 . 1 1 40 40 CYS C C 13 174.946 0.1 . 1 . . . . 40 C CO . 15057 1 472 . 1 1 40 40 CYS CA C 13 60.126 0.1 . 1 . . . . 40 C CA . 15057 1 473 . 1 1 40 40 CYS CB C 13 26.932 0.1 . 1 . . . . 40 C CB . 15057 1 474 . 1 1 40 40 CYS N N 15 113.047 0.1 . 1 . . . . 40 C N . 15057 1 475 . 1 1 41 41 ASP H H 1 7.388 0.01 . 1 . . . . 41 D HN . 15057 1 476 . 1 1 41 41 ASP HA H 1 4.341 0.01 . 1 . . . . 41 D HA . 15057 1 477 . 1 1 41 41 ASP HB2 H 1 2.719 0.01 . 1 . . . . 41 D HB2 . 15057 1 478 . 1 1 41 41 ASP HB3 H 1 2.605 0.01 . 1 . . . . 41 D HB3 . 15057 1 479 . 1 1 41 41 ASP C C 13 176.385 0.1 . 1 . . . . 41 D CO . 15057 1 480 . 1 1 41 41 ASP CA C 13 55.891 0.1 . 1 . . . . 41 D CA . 15057 1 481 . 1 1 41 41 ASP CB C 13 40.893 0.1 . 1 . . . . 41 D CB . 15057 1 482 . 1 1 41 41 ASP N N 15 118.480 0.1 . 1 . . . . 41 D N . 15057 1 483 . 1 1 42 42 ILE H H 1 7.134 0.01 . 1 . . . . 42 I HN . 15057 1 484 . 1 1 42 42 ILE HA H 1 3.819 0.01 . 1 . . . . 42 I HA . 15057 1 485 . 1 1 42 42 ILE HB H 1 1.623 0.01 . 1 . . . . 42 I HB . 15057 1 486 . 1 1 42 42 ILE HG12 H 1 1.553 0.01 . 1 . . . . 42 I HG12 . 15057 1 487 . 1 1 42 42 ILE HG13 H 1 1.244 0.01 . 1 . . . . 42 I HG13 . 15057 1 488 . 1 1 42 42 ILE HG21 H 1 0.862 0.01 . 1 . . . . 42 I HG2# . 15057 1 489 . 1 1 42 42 ILE HG22 H 1 0.862 0.01 . 1 . . . . 42 I HG2# . 15057 1 490 . 1 1 42 42 ILE HG23 H 1 0.862 0.01 . 1 . . . . 42 I HG2# . 15057 1 491 . 1 1 42 42 ILE HD11 H 1 0.808 0.01 . 1 . . . . 42 I HD1# . 15057 1 492 . 1 1 42 42 ILE HD12 H 1 0.808 0.01 . 1 . . . . 42 I HD1# . 15057 1 493 . 1 1 42 42 ILE HD13 H 1 0.808 0.01 . 1 . . . . 42 I HD1# . 15057 1 494 . 1 1 42 42 ILE C C 13 175.469 0.1 . 1 . . . . 42 I CO . 15057 1 495 . 1 1 42 42 ILE CA C 13 62.121 0.1 . 1 . . . . 42 I CA . 15057 1 496 . 1 1 42 42 ILE CB C 13 39.731 0.1 . 1 . . . . 42 I CB . 15057 1 497 . 1 1 42 42 ILE CG1 C 13 27.676 0.1 . 1 . . . . 42 I CG1 . 15057 1 498 . 1 1 42 42 ILE CG2 C 13 17.352 0.1 . 1 . . . . 42 I CG2 . 15057 1 499 . 1 1 42 42 ILE CD1 C 13 12.169 0.1 . 1 . . . . 42 I CD1 . 15057 1 500 . 1 1 42 42 ILE N N 15 118.766 0.1 . 1 . . . . 42 I N . 15057 1 501 . 1 1 43 43 ILE H H 1 8.434 0.01 . 1 . . . . 43 I HN . 15057 1 502 . 1 1 43 43 ILE HA H 1 3.795 0.01 . 1 . . . . 43 I HA . 15057 1 503 . 1 1 43 43 ILE HB H 1 1.221 0.01 . 1 . . . . 43 I HB . 15057 1 504 . 1 1 43 43 ILE HG21 H 1 0.367 0.01 . 1 . . . . 43 I HG2# . 15057 1 505 . 1 1 43 43 ILE HG22 H 1 0.367 0.01 . 1 . . . . 43 I HG2# . 15057 1 506 . 1 1 43 43 ILE HG23 H 1 0.367 0.01 . 1 . . . . 43 I HG2# . 15057 1 507 . 1 1 43 43 ILE HD11 H 1 0.602 0.01 . 1 . . . . 43 I HD1# . 15057 1 508 . 1 1 43 43 ILE HD12 H 1 0.602 0.01 . 1 . . . . 43 I HD1# . 15057 1 509 . 1 1 43 43 ILE HD13 H 1 0.602 0.01 . 1 . . . . 43 I HD1# . 15057 1 510 . 1 1 43 43 ILE C C 13 173.526 0.1 . 1 . . . . 43 I CO . 15057 1 511 . 1 1 43 43 ILE CA C 13 56.765 0.1 . 1 . . . . 43 I CA . 15057 1 512 . 1 1 43 43 ILE CB C 13 33.841 0.1 . 1 . . . . 43 I CB . 15057 1 513 . 1 1 43 43 ILE CG2 C 13 16.548 0.1 . 1 . . . . 43 I CG2 . 15057 1 514 . 1 1 43 43 ILE CD1 C 13 9.790 0.1 . 1 . . . . 43 I CD1 . 15057 1 515 . 1 1 43 43 ILE N N 15 122.216 0.1 . 1 . . . . 43 I N . 15057 1 516 . 1 1 44 44 LYS H H 1 7.731 0.01 . 1 . . . . 44 K HN . 15057 1 517 . 1 1 44 44 LYS HA H 1 3.985 0.01 . 1 . . . . 44 K HA . 15057 1 518 . 1 1 44 44 LYS HB2 H 1 1.395 0.01 . 1 . . . . 44 K HB# . 15057 1 519 . 1 1 44 44 LYS HB3 H 1 1.395 0.01 . 1 . . . . 44 K HB# . 15057 1 520 . 1 1 44 44 LYS HG2 H 1 1.278 0.01 . 1 . . . . 44 K HG2 . 15057 1 521 . 1 1 44 44 LYS HG3 H 1 1.150 0.01 . 1 . . . . 44 K HG3 . 15057 1 522 . 1 1 44 44 LYS HD2 H 1 1.436 0.01 . 1 . . . . 44 K HD# . 15057 1 523 . 1 1 44 44 LYS HD3 H 1 1.436 0.01 . 1 . . . . 44 K HD# . 15057 1 524 . 1 1 44 44 LYS HE2 H 1 2.840 0.01 . 1 . . . . 44 K HE# . 15057 1 525 . 1 1 44 44 LYS HE3 H 1 2.840 0.01 . 1 . . . . 44 K HE# . 15057 1 526 . 1 1 44 44 LYS C C 13 176.971 0.1 . 1 . . . . 44 K CO . 15057 1 527 . 1 1 44 44 LYS CA C 13 56.104 0.1 . 1 . . . . 44 K CA . 15057 1 528 . 1 1 44 44 LYS CB C 13 32.171 0.1 . 1 . . . . 44 K CB . 15057 1 529 . 1 1 44 44 LYS CG C 13 24.628 0.1 . 1 . . . . 44 K CG . 15057 1 530 . 1 1 44 44 LYS CD C 13 27.882 0.1 . 1 . . . . 44 K CD . 15057 1 531 . 1 1 44 44 LYS CE C 13 42.177 0.1 . 1 . . . . 44 K CE . 15057 1 532 . 1 1 44 44 LYS N N 15 122.968 0.1 . 1 . . . . 44 K N . 15057 1 533 . 1 1 45 45 HIS H H 1 8.259 0.01 . 1 . . . . 45 H HN . 15057 1 534 . 1 1 45 45 HIS HA H 1 5.022 0.01 . 1 . . . . 45 H HA . 15057 1 535 . 1 1 45 45 HIS HB2 H 1 3.082 0.01 . 1 . . . . 45 H HB# . 15057 1 536 . 1 1 45 45 HIS HB3 H 1 3.082 0.01 . 1 . . . . 45 H HB# . 15057 1 537 . 1 1 45 45 HIS C C 13 170.328 0.1 . 1 . . . . 45 H CO . 15057 1 538 . 1 1 45 45 HIS CA C 13 51.909 0.1 . 1 . . . . 45 H CA . 15057 1 539 . 1 1 45 45 HIS CB C 13 29.367 0.1 . 1 . . . . 45 H CB . 15057 1 540 . 1 1 45 45 HIS N N 15 115.855 0.1 . 1 . . . . 45 H N . 15057 1 541 . 1 1 46 46 PRO HA H 1 3.961 0.01 . 1 . . . . 46 P HA . 15057 1 542 . 1 1 46 46 PRO HB2 H 1 2.227 0.01 . 1 . . . . 46 P HB2 . 15057 1 543 . 1 1 46 46 PRO HB3 H 1 1.917 0.01 . 1 . . . . 46 P HB3 . 15057 1 544 . 1 1 46 46 PRO HG2 H 1 2.036 0.01 . 1 . . . . 46 P HG2 . 15057 1 545 . 1 1 46 46 PRO HG3 H 1 1.819 0.01 . 1 . . . . 46 P HG3 . 15057 1 546 . 1 1 46 46 PRO HD2 H 1 3.537 0.01 . 1 . . . . 46 P HD2 . 15057 1 547 . 1 1 46 46 PRO HD3 H 1 3.304 0.01 . 1 . . . . 46 P HD3 . 15057 1 548 . 1 1 46 46 PRO C C 13 174.622 0.1 . 1 . . . . 46 P CO . 15057 1 549 . 1 1 46 46 PRO CA C 13 63.136 0.1 . 1 . . . . 46 P CA . 15057 1 550 . 1 1 46 46 PRO CB C 13 32.156 0.1 . 1 . . . . 46 P CB . 15057 1 551 . 1 1 46 46 PRO CG C 13 27.439 0.1 . 1 . . . . 46 P CG . 15057 1 552 . 1 1 46 46 PRO CD C 13 50.348 0.1 . 1 . . . . 46 P CD . 15057 1 553 . 1 1 47 47 MET H H 1 8.240 0.01 . 1 . . . . 47 M HN . 15057 1 554 . 1 1 47 47 MET HA H 1 5.003 0.01 . 1 . . . . 47 M HA . 15057 1 555 . 1 1 47 47 MET HB2 H 1 1.115 0.01 . 1 . . . . 47 M HB# . 15057 1 556 . 1 1 47 47 MET HB3 H 1 1.115 0.01 . 1 . . . . 47 M HB# . 15057 1 557 . 1 1 47 47 MET HG2 H 1 2.743 0.01 . 1 . . . . 47 M HG2 . 15057 1 558 . 1 1 47 47 MET HG3 H 1 1.850 0.01 . 1 . . . . 47 M HG3 . 15057 1 559 . 1 1 47 47 MET HE1 H 1 1.924 0.01 . 1 . . . . 47 M HE# . 15057 1 560 . 1 1 47 47 MET HE2 H 1 1.924 0.01 . 1 . . . . 47 M HE# . 15057 1 561 . 1 1 47 47 MET HE3 H 1 1.924 0.01 . 1 . . . . 47 M HE# . 15057 1 562 . 1 1 47 47 MET C C 13 172.373 0.1 . 1 . . . . 47 M CO . 15057 1 563 . 1 1 47 47 MET CA C 13 53.783 0.1 . 1 . . . . 47 M CA . 15057 1 564 . 1 1 47 47 MET CB C 13 31.552 0.1 . 1 . . . . 47 M CB . 15057 1 565 . 1 1 47 47 MET CG C 13 30.872 0.1 . 1 . . . . 47 M CG . 15057 1 566 . 1 1 47 47 MET CE C 13 13.925 0.1 . 1 . . . . 47 M CE . 15057 1 567 . 1 1 47 47 MET N N 15 119.195 0.1 . 1 . . . . 47 M N . 15057 1 568 . 1 1 48 48 ASP H H 1 7.155 0.01 . 1 . . . . 48 D HN . 15057 1 569 . 1 1 48 48 ASP HA H 1 4.725 0.01 . 1 . . . . 48 D HA . 15057 1 570 . 1 1 48 48 ASP HB2 H 1 2.292 0.01 . 1 . . . . 48 D HB2 . 15057 1 571 . 1 1 48 48 ASP HB3 H 1 2.210 0.01 . 1 . . . . 48 D HB3 . 15057 1 572 . 1 1 48 48 ASP C C 13 174.052 0.1 . 1 . . . . 48 D CO . 15057 1 573 . 1 1 48 48 ASP CA C 13 53.489 0.1 . 1 . . . . 48 D CA . 15057 1 574 . 1 1 48 48 ASP CB C 13 44.508 0.1 . 1 . . . . 48 D CB . 15057 1 575 . 1 1 48 48 ASP N N 15 119.595 0.1 . 1 . . . . 48 D N . 15057 1 576 . 1 1 49 49 MET H H 1 8.930 0.01 . 1 . . . . 49 M HN . 15057 1 577 . 1 1 49 49 MET HA H 1 3.674 0.01 . 1 . . . . 49 M HA . 15057 1 578 . 1 1 49 49 MET HB2 H 1 1.991 0.01 . 1 . . . . 49 M HB# . 15057 1 579 . 1 1 49 49 MET HB3 H 1 1.991 0.01 . 1 . . . . 49 M HB# . 15057 1 580 . 1 1 49 49 MET HG2 H 1 2.342 0.01 . 1 . . . . 49 M HG# . 15057 1 581 . 1 1 49 49 MET HG3 H 1 2.342 0.01 . 1 . . . . 49 M HG# . 15057 1 582 . 1 1 49 49 MET HE1 H 1 0.741 0.01 . 1 . . . . 49 M HE# . 15057 1 583 . 1 1 49 49 MET HE2 H 1 0.741 0.01 . 1 . . . . 49 M HE# . 15057 1 584 . 1 1 49 49 MET HE3 H 1 0.741 0.01 . 1 . . . . 49 M HE# . 15057 1 585 . 1 1 49 49 MET C C 13 177.417 0.1 . 1 . . . . 49 M CO . 15057 1 586 . 1 1 49 49 MET CA C 13 60.844 0.1 . 1 . . . . 49 M CA . 15057 1 587 . 1 1 49 49 MET CB C 13 35.264 0.1 . 1 . . . . 49 M CB . 15057 1 588 . 1 1 49 49 MET CG C 13 31.802 0.1 . 1 . . . . 49 M CG . 15057 1 589 . 1 1 49 49 MET CE C 13 15.528 0.1 . 1 . . . . 49 M CE . 15057 1 590 . 1 1 49 49 MET N N 15 117.814 0.1 . 1 . . . . 49 M N . 15057 1 591 . 1 1 50 50 SER H H 1 8.744 0.01 . 1 . . . . 50 S HN . 15057 1 592 . 1 1 50 50 SER HA H 1 4.430 0.01 . 1 . . . . 50 S HA . 15057 1 593 . 1 1 50 50 SER HB2 H 1 4.306 0.01 . 1 . . . . 50 S HB2 . 15057 1 594 . 1 1 50 50 SER HB3 H 1 4.148 0.01 . 1 . . . . 50 S HB3 . 15057 1 595 . 1 1 50 50 SER C C 13 177.369 0.1 . 1 . . . . 50 S CO . 15057 1 596 . 1 1 50 50 SER CA C 13 63.641 0.1 . 1 . . . . 50 S CA . 15057 1 597 . 1 1 50 50 SER CB C 13 62.404 0.1 . 1 . . . . 50 S CB . 15057 1 598 . 1 1 50 50 SER N N 15 119.523 0.1 . 1 . . . . 50 S N . 15057 1 599 . 1 1 51 51 THR H H 1 8.398 0.01 . 1 . . . . 51 T HN . 15057 1 600 . 1 1 51 51 THR HA H 1 3.864 0.01 . 1 . . . . 51 T HA . 15057 1 601 . 1 1 51 51 THR HB H 1 4.155 0.01 . 1 . . . . 51 T HB . 15057 1 602 . 1 1 51 51 THR HG21 H 1 1.104 0.01 . 1 . . . . 51 T HG2# . 15057 1 603 . 1 1 51 51 THR HG22 H 1 1.104 0.01 . 1 . . . . 51 T HG2# . 15057 1 604 . 1 1 51 51 THR HG23 H 1 1.104 0.01 . 1 . . . . 51 T HG2# . 15057 1 605 . 1 1 51 51 THR C C 13 176.218 0.1 . 1 . . . . 51 T CO . 15057 1 606 . 1 1 51 51 THR CA C 13 67.140 0.1 . 1 . . . . 51 T CA . 15057 1 607 . 1 1 51 51 THR CB C 13 67.541 0.1 . 1 . . . . 51 T CB . 15057 1 608 . 1 1 51 51 THR CG2 C 13 21.094 0.1 . 1 . . . . 51 T CG2 . 15057 1 609 . 1 1 51 51 THR N N 15 126.218 0.1 . 1 . . . . 51 T N . 15057 1 610 . 1 1 52 52 ILE H H 1 7.658 0.01 . 1 . . . . 52 I HN . 15057 1 611 . 1 1 52 52 ILE HA H 1 4.096 0.01 . 1 . . . . 52 I HA . 15057 1 612 . 1 1 52 52 ILE HB H 1 1.677 0.01 . 1 . . . . 52 I HB . 15057 1 613 . 1 1 52 52 ILE HG12 H 1 1.853 0.01 . 1 . . . . 52 I HG12 . 15057 1 614 . 1 1 52 52 ILE HG13 H 1 0.967 0.01 . 1 . . . . 52 I HG13 . 15057 1 615 . 1 1 52 52 ILE HG21 H 1 1.095 0.01 . 1 . . . . 52 I HG2# . 15057 1 616 . 1 1 52 52 ILE HG22 H 1 1.095 0.01 . 1 . . . . 52 I HG2# . 15057 1 617 . 1 1 52 52 ILE HG23 H 1 1.095 0.01 . 1 . . . . 52 I HG2# . 15057 1 618 . 1 1 52 52 ILE HD11 H 1 0.222 0.01 . 1 . . . . 52 I HD1# . 15057 1 619 . 1 1 52 52 ILE HD12 H 1 0.222 0.01 . 1 . . . . 52 I HD1# . 15057 1 620 . 1 1 52 52 ILE HD13 H 1 0.222 0.01 . 1 . . . . 52 I HD1# . 15057 1 621 . 1 1 52 52 ILE C C 13 177.726 0.1 . 1 . . . . 52 I CO . 15057 1 622 . 1 1 52 52 ILE CA C 13 65.243 0.1 . 1 . . . . 52 I CA . 15057 1 623 . 1 1 52 52 ILE CB C 13 38.315 0.1 . 1 . . . . 52 I CB . 15057 1 624 . 1 1 52 52 ILE CG1 C 13 29.388 0.1 . 1 . . . . 52 I CG1 . 15057 1 625 . 1 1 52 52 ILE CG2 C 13 18.598 0.1 . 1 . . . . 52 I CG2 . 15057 1 626 . 1 1 52 52 ILE CD1 C 13 14.114 0.1 . 1 . . . . 52 I CD1 . 15057 1 627 . 1 1 52 52 ILE N N 15 123.129 0.1 . 1 . . . . 52 I N . 15057 1 628 . 1 1 53 53 LYS H H 1 8.391 0.01 . 1 . . . . 53 K HN . 15057 1 629 . 1 1 53 53 LYS HA H 1 3.850 0.01 . 1 . . . . 53 K HA . 15057 1 630 . 1 1 53 53 LYS HB2 H 1 2.239 0.01 . 1 . . . . 53 K HB2 . 15057 1 631 . 1 1 53 53 LYS HB3 H 1 2.048 0.01 . 1 . . . . 53 K HB3 . 15057 1 632 . 1 1 53 53 LYS HG2 H 1 1.437 0.01 . 1 . . . . 53 K HG# . 15057 1 633 . 1 1 53 53 LYS HG3 H 1 1.437 0.01 . 1 . . . . 53 K HG# . 15057 1 634 . 1 1 53 53 LYS HD2 H 1 1.468 0.01 . 1 . . . . 53 K HD# . 15057 1 635 . 1 1 53 53 LYS HD3 H 1 1.468 0.01 . 1 . . . . 53 K HD# . 15057 1 636 . 1 1 53 53 LYS HE2 H 1 2.758 0.01 . 1 . . . . 53 K HE# . 15057 1 637 . 1 1 53 53 LYS HE3 H 1 2.758 0.01 . 1 . . . . 53 K HE# . 15057 1 638 . 1 1 53 53 LYS C C 13 178.300 0.1 . 1 . . . . 53 K CO . 15057 1 639 . 1 1 53 53 LYS CA C 13 60.594 0.1 . 1 . . . . 53 K CA . 15057 1 640 . 1 1 53 53 LYS CB C 13 33.077 0.1 . 1 . . . . 53 K CB . 15057 1 641 . 1 1 53 53 LYS CG C 13 24.818 0.1 . 1 . . . . 53 K CG . 15057 1 642 . 1 1 53 53 LYS CD C 13 29.966 0.1 . 1 . . . . 53 K CD . 15057 1 643 . 1 1 53 53 LYS CE C 13 41.740 0.1 . 1 . . . . 53 K CE . 15057 1 644 . 1 1 53 53 LYS N N 15 120.589 0.1 . 1 . . . . 53 K N . 15057 1 645 . 1 1 54 54 SER H H 1 8.160 0.01 . 1 . . . . 54 S HN . 15057 1 646 . 1 1 54 54 SER HA H 1 4.176 0.01 . 1 . . . . 54 S HA . 15057 1 647 . 1 1 54 54 SER HB2 H 1 3.989 0.01 . 1 . . . . 54 S HB2 . 15057 1 648 . 1 1 54 54 SER HB3 H 1 3.861 0.01 . 1 . . . . 54 S HB3 . 15057 1 649 . 1 1 54 54 SER C C 13 177.241 0.1 . 1 . . . . 54 S CO . 15057 1 650 . 1 1 54 54 SER CA C 13 61.808 0.1 . 1 . . . . 54 S CA . 15057 1 651 . 1 1 54 54 SER CB C 13 63.430 0.1 . 1 . . . . 54 S CB . 15057 1 652 . 1 1 54 54 SER N N 15 114.730 0.1 . 1 . . . . 54 S N . 15057 1 653 . 1 1 55 55 LYS H H 1 8.355 0.01 . 1 . . . . 55 K HN . 15057 1 654 . 1 1 55 55 LYS HA H 1 3.775 0.01 . 1 . . . . 55 K HA . 15057 1 655 . 1 1 55 55 LYS HB2 H 1 1.876 0.01 . 1 . . . . 55 K HB2 . 15057 1 656 . 1 1 55 55 LYS HB3 H 1 0.751 0.01 . 1 . . . . 55 K HB3 . 15057 1 657 . 1 1 55 55 LYS HE2 H 1 2.290 0.01 . 1 . . . . 55 K HE# . 15057 1 658 . 1 1 55 55 LYS HE3 H 1 2.290 0.01 . 1 . . . . 55 K HE# . 15057 1 659 . 1 1 55 55 LYS C C 13 178.941 0.1 . 1 . . . . 55 K CO . 15057 1 660 . 1 1 55 55 LYS CA C 13 60.596 0.1 . 1 . . . . 55 K CA . 15057 1 661 . 1 1 55 55 LYS CB C 13 31.599 0.1 . 1 . . . . 55 K CB . 15057 1 662 . 1 1 55 55 LYS CG C 13 26.113 0.1 . 1 . . . . 55 K CG . 15057 1 663 . 1 1 55 55 LYS CD C 13 29.585 0.1 . 1 . . . . 55 K CD . 15057 1 664 . 1 1 55 55 LYS N N 15 123.994 0.1 . 1 . . . . 55 K N . 15057 1 665 . 1 1 56 56 LEU H H 1 8.708 0.01 . 1 . . . . 56 L HN . 15057 1 666 . 1 1 56 56 LEU HA H 1 4.337 0.01 . 1 . . . . 56 L HA . 15057 1 667 . 1 1 56 56 LEU HB2 H 1 2.137 0.01 . 1 . . . . 56 L HB2 . 15057 1 668 . 1 1 56 56 LEU HB3 H 1 1.819 0.01 . 1 . . . . 56 L HB3 . 15057 1 669 . 1 1 56 56 LEU HD11 H 1 0.958 0.01 . 1 . . . . 56 L HD1# . 15057 1 670 . 1 1 56 56 LEU HD12 H 1 0.958 0.01 . 1 . . . . 56 L HD1# . 15057 1 671 . 1 1 56 56 LEU HD13 H 1 0.958 0.01 . 1 . . . . 56 L HD1# . 15057 1 672 . 1 1 56 56 LEU HD21 H 1 0.868 0.01 . 1 . . . . 56 L HD2# . 15057 1 673 . 1 1 56 56 LEU HD22 H 1 0.868 0.01 . 1 . . . . 56 L HD2# . 15057 1 674 . 1 1 56 56 LEU HD23 H 1 0.868 0.01 . 1 . . . . 56 L HD2# . 15057 1 675 . 1 1 56 56 LEU C C 13 181.836 0.1 . 1 . . . . 56 L CO . 15057 1 676 . 1 1 56 56 LEU CA C 13 58.190 0.1 . 1 . . . . 56 L CA . 15057 1 677 . 1 1 56 56 LEU CB C 13 42.525 0.1 . 1 . . . . 56 L CB . 15057 1 678 . 1 1 56 56 LEU CD1 C 13 26.116 0.1 . 1 . . . . 56 L CD1 . 15057 1 679 . 1 1 56 56 LEU CD2 C 13 25.107 0.1 . 1 . . . . 56 L CD2 . 15057 1 680 . 1 1 56 56 LEU N N 15 121.227 0.1 . 1 . . . . 56 L N . 15057 1 681 . 1 1 57 57 GLU H H 1 8.541 0.01 . 1 . . . . 57 E HN . 15057 1 682 . 1 1 57 57 GLU HA H 1 3.946 0.01 . 1 . . . . 57 E HA . 15057 1 683 . 1 1 57 57 GLU HB2 H 1 2.071 0.01 . 1 . . . . 57 E HB# . 15057 1 684 . 1 1 57 57 GLU HB3 H 1 2.071 0.01 . 1 . . . . 57 E HB# . 15057 1 685 . 1 1 57 57 GLU HG2 H 1 2.526 0.01 . 1 . . . . 57 E HG2 . 15057 1 686 . 1 1 57 57 GLU HG3 H 1 2.253 0.01 . 1 . . . . 57 E HG3 . 15057 1 687 . 1 1 57 57 GLU C C 13 177.792 0.1 . 1 . . . . 57 E CO . 15057 1 688 . 1 1 57 57 GLU CA C 13 59.379 0.1 . 1 . . . . 57 E CA . 15057 1 689 . 1 1 57 57 GLU CB C 13 28.929 0.1 . 1 . . . . 57 E CB . 15057 1 690 . 1 1 57 57 GLU CG C 13 36.862 0.1 . 1 . . . . 57 E CG . 15057 1 691 . 1 1 57 57 GLU N N 15 120.904 0.1 . 1 . . . . 57 E N . 15057 1 692 . 1 1 58 58 ALA H H 1 7.780 0.01 . 1 . . . . 58 A HN . 15057 1 693 . 1 1 58 58 ALA HA H 1 4.312 0.01 . 1 . . . . 58 A HA . 15057 1 694 . 1 1 58 58 ALA HB1 H 1 1.402 0.01 . 1 . . . . 58 A HB# . 15057 1 695 . 1 1 58 58 ALA HB2 H 1 1.402 0.01 . 1 . . . . 58 A HB# . 15057 1 696 . 1 1 58 58 ALA HB3 H 1 1.402 0.01 . 1 . . . . 58 A HB# . 15057 1 697 . 1 1 58 58 ALA C C 13 175.928 0.1 . 1 . . . . 58 A CO . 15057 1 698 . 1 1 58 58 ALA CA C 13 51.965 0.1 . 1 . . . . 58 A CA . 15057 1 699 . 1 1 58 58 ALA CB C 13 19.017 0.1 . 1 . . . . 58 A CB . 15057 1 700 . 1 1 58 58 ALA N N 15 119.616 0.1 . 1 . . . . 58 A N . 15057 1 701 . 1 1 59 59 ARG H H 1 7.826 0.01 . 1 . . . . 59 R HN . 15057 1 702 . 1 1 59 59 ARG HA H 1 4.141 0.01 . 1 . . . . 59 R HA . 15057 1 703 . 1 1 59 59 ARG HB2 H 1 2.044 0.01 . 1 . . . . 59 R HB2 . 15057 1 704 . 1 1 59 59 ARG HB3 H 1 1.917 0.01 . 1 . . . . 59 R HB3 . 15057 1 705 . 1 1 59 59 ARG HG2 H 1 1.514 0.01 . 1 . . . . 59 R HG# . 15057 1 706 . 1 1 59 59 ARG HG3 H 1 1.514 0.01 . 1 . . . . 59 R HG# . 15057 1 707 . 1 1 59 59 ARG HD2 H 1 3.170 0.01 . 1 . . . . 59 R HD# . 15057 1 708 . 1 1 59 59 ARG HD3 H 1 3.170 0.01 . 1 . . . . 59 R HD# . 15057 1 709 . 1 1 59 59 ARG C C 13 176.593 0.1 . 1 . . . . 59 R CO . 15057 1 710 . 1 1 59 59 ARG CA C 13 57.117 0.1 . 1 . . . . 59 R CA . 15057 1 711 . 1 1 59 59 ARG CB C 13 25.966 0.1 . 1 . . . . 59 R CB . 15057 1 712 . 1 1 59 59 ARG CG C 13 28.071 0.1 . 1 . . . . 59 R CG . 15057 1 713 . 1 1 59 59 ARG CD C 13 43.462 0.1 . 1 . . . . 59 R CD . 15057 1 714 . 1 1 59 59 ARG N N 15 114.752 0.1 . 1 . . . . 59 R N . 15057 1 715 . 1 1 60 60 GLU H H 1 8.351 0.01 . 1 . . . . 60 E HN . 15057 1 716 . 1 1 60 60 GLU HA H 1 3.993 0.01 . 1 . . . . 60 E HA . 15057 1 717 . 1 1 60 60 GLU HB2 H 1 1.805 0.01 . 1 . . . . 60 E HB2 . 15057 1 718 . 1 1 60 60 GLU HB3 H 1 1.291 0.01 . 1 . . . . 60 E HB3 . 15057 1 719 . 1 1 60 60 GLU HG2 H 1 2.089 0.01 . 1 . . . . 60 E HG2 . 15057 1 720 . 1 1 60 60 GLU HG3 H 1 1.981 0.01 . 1 . . . . 60 E HG3 . 15057 1 721 . 1 1 60 60 GLU C C 13 177.398 0.1 . 1 . . . . 60 E CO . 15057 1 722 . 1 1 60 60 GLU CA C 13 57.614 0.1 . 1 . . . . 60 E CA . 15057 1 723 . 1 1 60 60 GLU CB C 13 30.005 0.1 . 1 . . . . 60 E CB . 15057 1 724 . 1 1 60 60 GLU CG C 13 37.054 0.1 . 1 . . . . 60 E CG . 15057 1 725 . 1 1 60 60 GLU N N 15 115.220 0.1 . 1 . . . . 60 E N . 15057 1 726 . 1 1 61 61 TYR H H 1 7.210 0.01 . 1 . . . . 61 Y HN . 15057 1 727 . 1 1 61 61 TYR HA H 1 4.879 0.01 . 1 . . . . 61 Y HA . 15057 1 728 . 1 1 61 61 TYR HB2 H 1 3.107 0.01 . 1 . . . . 61 Y HB2 . 15057 1 729 . 1 1 61 61 TYR HB3 H 1 2.857 0.01 . 1 . . . . 61 Y HB3 . 15057 1 730 . 1 1 61 61 TYR HD1 H 1 6.998 0.01 . 1 . . . . 61 Y HD# . 15057 1 731 . 1 1 61 61 TYR HD2 H 1 6.998 0.01 . 1 . . . . 61 Y HD# . 15057 1 732 . 1 1 61 61 TYR C C 13 176.525 0.1 . 1 . . . . 61 Y CO . 15057 1 733 . 1 1 61 61 TYR CA C 13 56.850 0.1 . 1 . . . . 61 Y CA . 15057 1 734 . 1 1 61 61 TYR CB C 13 38.777 0.1 . 1 . . . . 61 Y CB . 15057 1 735 . 1 1 61 61 TYR N N 15 115.599 0.1 . 1 . . . . 61 Y N . 15057 1 736 . 1 1 62 62 ARG H H 1 9.580 0.01 . 1 . . . . 62 R HN . 15057 1 737 . 1 1 62 62 ARG HA H 1 4.102 0.01 . 1 . . . . 62 R HA . 15057 1 738 . 1 1 62 62 ARG HB2 H 1 1.758 0.01 . 1 . . . . 62 R HB# . 15057 1 739 . 1 1 62 62 ARG HB3 H 1 1.758 0.01 . 1 . . . . 62 R HB# . 15057 1 740 . 1 1 62 62 ARG HG2 H 1 1.764 0.01 . 1 . . . . 62 R HG2 . 15057 1 741 . 1 1 62 62 ARG HG3 H 1 1.645 0.01 . 1 . . . . 62 R HG3 . 15057 1 742 . 1 1 62 62 ARG HD2 H 1 3.188 0.01 . 1 . . . . 62 R HD# . 15057 1 743 . 1 1 62 62 ARG HD3 H 1 3.188 0.01 . 1 . . . . 62 R HD# . 15057 1 744 . 1 1 62 62 ARG C C 13 176.404 0.1 . 1 . . . . 62 R CO . 15057 1 745 . 1 1 62 62 ARG CA C 13 57.692 0.1 . 1 . . . . 62 R CA . 15057 1 746 . 1 1 62 62 ARG CB C 13 30.940 0.1 . 1 . . . . 62 R CB . 15057 1 747 . 1 1 62 62 ARG CG C 13 27.983 0.1 . 1 . . . . 62 R CG . 15057 1 748 . 1 1 62 62 ARG CD C 13 43.107 0.1 . 1 . . . . 62 R CD . 15057 1 749 . 1 1 62 62 ARG N N 15 122.899 0.1 . 1 . . . . 62 R N . 15057 1 750 . 1 1 63 63 ASP H H 1 7.436 0.01 . 1 . . . . 63 D HN . 15057 1 751 . 1 1 63 63 ASP HA H 1 4.422 0.01 . 1 . . . . 63 D HA . 15057 1 752 . 1 1 63 63 ASP HB2 H 1 3.110 0.01 . 1 . . . . 63 D HB2 . 15057 1 753 . 1 1 63 63 ASP HB3 H 1 2.942 0.01 . 1 . . . . 63 D HB3 . 15057 1 754 . 1 1 63 63 ASP C C 13 175.234 0.1 . 1 . . . . 63 D CO . 15057 1 755 . 1 1 63 63 ASP CA C 13 52.571 0.1 . 1 . . . . 63 D CA . 15057 1 756 . 1 1 63 63 ASP CB C 13 42.309 0.1 . 1 . . . . 63 D CB . 15057 1 757 . 1 1 63 63 ASP N N 15 111.688 0.1 . 1 . . . . 63 D N . 15057 1 758 . 1 1 64 64 ALA H H 1 8.855 0.01 . 1 . . . . 64 A HN . 15057 1 759 . 1 1 64 64 ALA HA H 1 4.263 0.01 . 1 . . . . 64 A HA . 15057 1 760 . 1 1 64 64 ALA HB1 H 1 1.257 0.01 . 1 . . . . 64 A HB# . 15057 1 761 . 1 1 64 64 ALA HB2 H 1 1.257 0.01 . 1 . . . . 64 A HB# . 15057 1 762 . 1 1 64 64 ALA HB3 H 1 1.257 0.01 . 1 . . . . 64 A HB# . 15057 1 763 . 1 1 64 64 ALA C C 13 179.436 0.1 . 1 . . . . 64 A CO . 15057 1 764 . 1 1 64 64 ALA CA C 13 54.459 0.1 . 1 . . . . 64 A CA . 15057 1 765 . 1 1 64 64 ALA CB C 13 19.613 0.1 . 1 . . . . 64 A CB . 15057 1 766 . 1 1 64 64 ALA N N 15 118.733 0.1 . 1 . . . . 64 A N . 15057 1 767 . 1 1 65 65 GLN H H 1 8.398 0.01 . 1 . . . . 65 Q HN . 15057 1 768 . 1 1 65 65 GLN HA H 1 4.205 0.01 . 1 . . . . 65 Q HA . 15057 1 769 . 1 1 65 65 GLN HB2 H 1 2.269 0.01 . 1 . . . . 65 Q HB2 . 15057 1 770 . 1 1 65 65 GLN HB3 H 1 2.151 0.01 . 1 . . . . 65 Q HB3 . 15057 1 771 . 1 1 65 65 GLN HG2 H 1 2.485 0.01 . 1 . . . . 65 Q HG# . 15057 1 772 . 1 1 65 65 GLN HG3 H 1 2.485 0.01 . 1 . . . . 65 Q HG# . 15057 1 773 . 1 1 65 65 GLN HE21 H 1 7.656 0.01 . 1 . . . . 65 Q HE21 . 15057 1 774 . 1 1 65 65 GLN HE22 H 1 6.702 0.01 . 1 . . . . 65 Q HE22 . 15057 1 775 . 1 1 65 65 GLN C C 13 179.591 0.1 . 1 . . . . 65 Q CO . 15057 1 776 . 1 1 65 65 GLN CA C 13 59.399 0.1 . 1 . . . . 65 Q CA . 15057 1 777 . 1 1 65 65 GLN CB C 13 26.931 0.1 . 1 . . . . 65 Q CB . 15057 1 778 . 1 1 65 65 GLN CG C 13 33.551 0.1 . 1 . . . . 65 Q CG . 15057 1 779 . 1 1 65 65 GLN N N 15 118.059 0.1 . 1 . . . . 65 Q N . 15057 1 780 . 1 1 65 65 GLN NE2 N 15 111.361 0.1 . 1 . . . . 65 Q NE2 . 15057 1 781 . 1 1 66 66 GLU H H 1 8.357 0.01 . 1 . . . . 66 E HN . 15057 1 782 . 1 1 66 66 GLU HA H 1 4.043 0.01 . 1 . . . . 66 E HA . 15057 1 783 . 1 1 66 66 GLU HB2 H 1 2.322 0.01 . 1 . . . . 66 E HB# . 15057 1 784 . 1 1 66 66 GLU HB3 H 1 2.322 0.01 . 1 . . . . 66 E HB# . 15057 1 785 . 1 1 66 66 GLU HG2 H 1 2.772 0.01 . 1 . . . . 66 E HG2 . 15057 1 786 . 1 1 66 66 GLU HG3 H 1 2.332 0.01 . 1 . . . . 66 E HG3 . 15057 1 787 . 1 1 66 66 GLU C C 13 179.011 0.1 . 1 . . . . 66 E CO . 15057 1 788 . 1 1 66 66 GLU CA C 13 59.699 0.1 . 1 . . . . 66 E CA . 15057 1 789 . 1 1 66 66 GLU CB C 13 30.590 0.1 . 1 . . . . 66 E CB . 15057 1 790 . 1 1 66 66 GLU CG C 13 37.115 0.1 . 1 . . . . 66 E CG . 15057 1 791 . 1 1 66 66 GLU N N 15 121.897 0.1 . 1 . . . . 66 E N . 15057 1 792 . 1 1 67 67 PHE H H 1 6.840 0.01 . 1 . . . . 67 F HN . 15057 1 793 . 1 1 67 67 PHE HA H 1 3.027 0.01 . 1 . . . . 67 F HA . 15057 1 794 . 1 1 67 67 PHE HB2 H 1 2.269 0.01 . 1 . . . . 67 F HB# . 15057 1 795 . 1 1 67 67 PHE HB3 H 1 2.269 0.01 . 1 . . . . 67 F HB# . 15057 1 796 . 1 1 67 67 PHE C C 13 175.953 0.1 . 1 . . . . 67 F CO . 15057 1 797 . 1 1 67 67 PHE CA C 13 59.974 0.1 . 1 . . . . 67 F CA . 15057 1 798 . 1 1 67 67 PHE CB C 13 38.360 0.1 . 1 . . . . 67 F CB . 15057 1 799 . 1 1 67 67 PHE N N 15 120.858 0.1 . 1 . . . . 67 F N . 15057 1 800 . 1 1 68 68 GLY H H 1 8.861 0.01 . 1 . . . . 68 G HN . 15057 1 801 . 1 1 68 68 GLY HA2 H 1 3.360 0.01 . 1 . . . . 68 G HA2 . 15057 1 802 . 1 1 68 68 GLY HA3 H 1 2.870 0.01 . 1 . . . . 68 G HA3 . 15057 1 803 . 1 1 68 68 GLY C C 13 174.490 0.1 . 1 . . . . 68 G CO . 15057 1 804 . 1 1 68 68 GLY CA C 13 46.984 0.1 . 1 . . . . 68 G CA . 15057 1 805 . 1 1 68 68 GLY N N 15 106.693 0.1 . 1 . . . . 68 G N . 15057 1 806 . 1 1 69 69 ALA H H 1 7.963 0.01 . 1 . . . . 69 A HN . 15057 1 807 . 1 1 69 69 ALA HA H 1 3.983 0.01 . 1 . . . . 69 A HA . 15057 1 808 . 1 1 69 69 ALA HB1 H 1 1.420 0.01 . 1 . . . . 69 A HB# . 15057 1 809 . 1 1 69 69 ALA HB2 H 1 1.420 0.01 . 1 . . . . 69 A HB# . 15057 1 810 . 1 1 69 69 ALA HB3 H 1 1.420 0.01 . 1 . . . . 69 A HB# . 15057 1 811 . 1 1 69 69 ALA C C 13 180.811 0.1 . 1 . . . . 69 A CO . 15057 1 812 . 1 1 69 69 ALA CA C 13 54.842 0.1 . 1 . . . . 69 A CA . 15057 1 813 . 1 1 69 69 ALA CB C 13 17.895 0.1 . 1 . . . . 69 A CB . 15057 1 814 . 1 1 69 69 ALA N N 15 121.665 0.1 . 1 . . . . 69 A N . 15057 1 815 . 1 1 70 70 ASP H H 1 7.033 0.01 . 1 . . . . 70 D HN . 15057 1 816 . 1 1 70 70 ASP HA H 1 4.552 0.01 . 1 . . . . 70 D HA . 15057 1 817 . 1 1 70 70 ASP HB2 H 1 2.653 0.01 . 1 . . . . 70 D HB2 . 15057 1 818 . 1 1 70 70 ASP HB3 H 1 2.450 0.01 . 1 . . . . 70 D HB3 . 15057 1 819 . 1 1 70 70 ASP C C 13 177.875 0.1 . 1 . . . . 70 D CO . 15057 1 820 . 1 1 70 70 ASP CA C 13 56.393 0.1 . 1 . . . . 70 D CA . 15057 1 821 . 1 1 70 70 ASP CB C 13 39.300 0.1 . 1 . . . . 70 D CB . 15057 1 822 . 1 1 70 70 ASP N N 15 120.587 0.1 . 1 . . . . 70 D N . 15057 1 823 . 1 1 71 71 VAL H H 1 7.129 0.01 . 1 . . . . 71 V HN . 15057 1 824 . 1 1 71 71 VAL HA H 1 2.560 0.01 . 1 . . . . 71 V HA . 15057 1 825 . 1 1 71 71 VAL HB H 1 0.736 0.01 . 1 . . . . 71 V HB . 15057 1 826 . 1 1 71 71 VAL HG11 H 1 -0.318 0.01 . 1 . . . . 71 V HG1# . 15057 1 827 . 1 1 71 71 VAL HG12 H 1 -0.318 0.01 . 1 . . . . 71 V HG1# . 15057 1 828 . 1 1 71 71 VAL HG13 H 1 -0.318 0.01 . 1 . . . . 71 V HG1# . 15057 1 829 . 1 1 71 71 VAL HG21 H 1 -0.728 0.01 . 1 . . . . 71 V HG2# . 15057 1 830 . 1 1 71 71 VAL HG22 H 1 -0.728 0.01 . 1 . . . . 71 V HG2# . 15057 1 831 . 1 1 71 71 VAL HG23 H 1 -0.728 0.01 . 1 . . . . 71 V HG2# . 15057 1 832 . 1 1 71 71 VAL C C 13 177.291 0.1 . 1 . . . . 71 V CO . 15057 1 833 . 1 1 71 71 VAL CA C 13 66.497 0.1 . 1 . . . . 71 V CA . 15057 1 834 . 1 1 71 71 VAL CB C 13 30.912 0.1 . 1 . . . . 71 V CB . 15057 1 835 . 1 1 71 71 VAL CG1 C 13 20.823 0.1 . 1 . . . . 71 V CG1 . 15057 1 836 . 1 1 71 71 VAL CG2 C 13 21.079 0.1 . 1 . . . . 71 V CG2 . 15057 1 837 . 1 1 71 71 VAL N N 15 119.929 0.1 . 1 . . . . 71 V N . 15057 1 838 . 1 1 72 72 ARG H H 1 7.979 0.01 . 1 . . . . 72 R HN . 15057 1 839 . 1 1 72 72 ARG HA H 1 3.692 0.01 . 1 . . . . 72 R HA . 15057 1 840 . 1 1 72 72 ARG HB2 H 1 1.675 0.01 . 1 . . . . 72 R HB2 . 15057 1 841 . 1 1 72 72 ARG HB3 H 1 1.507 0.01 . 1 . . . . 72 R HB3 . 15057 1 842 . 1 1 72 72 ARG HG2 H 1 1.848 0.01 . 1 . . . . 72 R HG# . 15057 1 843 . 1 1 72 72 ARG HG3 H 1 1.848 0.01 . 1 . . . . 72 R HG# . 15057 1 844 . 1 1 72 72 ARG HD2 H 1 3.008 0.01 . 1 . . . . 72 R HD2 . 15057 1 845 . 1 1 72 72 ARG HD3 H 1 2.890 0.01 . 1 . . . . 72 R HD3 . 15057 1 846 . 1 1 72 72 ARG C C 13 178.505 0.1 . 1 . . . . 72 R CO . 15057 1 847 . 1 1 72 72 ARG CA C 13 60.524 0.1 . 1 . . . . 72 R CA . 15057 1 848 . 1 1 72 72 ARG CB C 13 29.570 0.1 . 1 . . . . 72 R CB . 15057 1 849 . 1 1 72 72 ARG CD C 13 43.268 0.1 . 1 . . . . 72 R CD . 15057 1 850 . 1 1 72 72 ARG N N 15 115.470 0.1 . 1 . . . . 72 R N . 15057 1 851 . 1 1 73 73 LEU H H 1 7.800 0.01 . 1 . . . . 73 L HN . 15057 1 852 . 1 1 73 73 LEU HA H 1 4.031 0.01 . 1 . . . . 73 L HA . 15057 1 853 . 1 1 73 73 LEU HB2 H 1 1.993 0.01 . 1 . . . . 73 L HB2 . 15057 1 854 . 1 1 73 73 LEU HB3 H 1 1.504 0.01 . 1 . . . . 73 L HB3 . 15057 1 855 . 1 1 73 73 LEU HG H 1 1.262 0.01 . 1 . . . . 73 L HG . 15057 1 856 . 1 1 73 73 LEU HD11 H 1 0.891 0.01 . 1 . . . . 73 L HD1# . 15057 1 857 . 1 1 73 73 LEU HD12 H 1 0.891 0.01 . 1 . . . . 73 L HD1# . 15057 1 858 . 1 1 73 73 LEU HD13 H 1 0.891 0.01 . 1 . . . . 73 L HD1# . 15057 1 859 . 1 1 73 73 LEU HD21 H 1 0.748 0.01 . 1 . . . . 73 L HD2# . 15057 1 860 . 1 1 73 73 LEU HD22 H 1 0.748 0.01 . 1 . . . . 73 L HD2# . 15057 1 861 . 1 1 73 73 LEU HD23 H 1 0.748 0.01 . 1 . . . . 73 L HD2# . 15057 1 862 . 1 1 73 73 LEU C C 13 176.962 0.1 . 1 . . . . 73 L CO . 15057 1 863 . 1 1 73 73 LEU CA C 13 57.613 0.1 . 1 . . . . 73 L CA . 15057 1 864 . 1 1 73 73 LEU CB C 13 42.250 0.1 . 1 . . . . 73 L CB . 15057 1 865 . 1 1 73 73 LEU CD1 C 13 23.276 0.1 . 1 . . . . 73 L CD1 . 15057 1 866 . 1 1 73 73 LEU CD2 C 13 25.817 0.1 . 1 . . . . 73 L CD2 . 15057 1 867 . 1 1 73 73 LEU N N 15 123.805 0.1 . 1 . . . . 73 L N . 15057 1 868 . 1 1 74 74 MET H H 1 7.193 0.01 . 1 . . . . 74 M HN . 15057 1 869 . 1 1 74 74 MET HA H 1 3.520 0.01 . 1 . . . . 74 M HA . 15057 1 870 . 1 1 74 74 MET HB2 H 1 2.011 0.01 . 1 . . . . 74 M HB2 . 15057 1 871 . 1 1 74 74 MET HB3 H 1 1.124 0.01 . 1 . . . . 74 M HB3 . 15057 1 872 . 1 1 74 74 MET HG2 H 1 2.380 0.01 . 1 . . . . 74 M HG2 . 15057 1 873 . 1 1 74 74 MET HG3 H 1 1.315 0.01 . 1 . . . . 74 M HG3 . 15057 1 874 . 1 1 74 74 MET HE1 H 1 0.742 0.01 . 1 . . . . 74 M HE# . 15057 1 875 . 1 1 74 74 MET HE2 H 1 0.742 0.01 . 1 . . . . 74 M HE# . 15057 1 876 . 1 1 74 74 MET HE3 H 1 0.742 0.01 . 1 . . . . 74 M HE# . 15057 1 877 . 1 1 74 74 MET C C 13 178.903 0.1 . 1 . . . . 74 M CO . 15057 1 878 . 1 1 74 74 MET CA C 13 59.476 0.1 . 1 . . . . 74 M CA . 15057 1 879 . 1 1 74 74 MET CB C 13 33.401 0.1 . 1 . . . . 74 M CB . 15057 1 880 . 1 1 74 74 MET CG C 13 30.355 0.1 . 1 . . . . 74 M CG . 15057 1 881 . 1 1 74 74 MET CE C 13 15.562 0.1 . 1 . . . . 74 M CE . 15057 1 882 . 1 1 74 74 MET N N 15 117.688 0.1 . 1 . . . . 74 M N . 15057 1 883 . 1 1 75 75 PHE H H 1 6.894 0.01 . 1 . . . . 75 F HN . 15057 1 884 . 1 1 75 75 PHE HA H 1 3.817 0.01 . 1 . . . . 75 F HA . 15057 1 885 . 1 1 75 75 PHE HB2 H 1 2.856 0.01 . 1 . . . . 75 F HB2 . 15057 1 886 . 1 1 75 75 PHE HB3 H 1 2.539 0.01 . 1 . . . . 75 F HB3 . 15057 1 887 . 1 1 75 75 PHE HZ H 1 6.284 0.01 . 1 . . . . 75 F HZ . 15057 1 888 . 1 1 75 75 PHE C C 13 175.868 0.1 . 1 . . . . 75 F CO . 15057 1 889 . 1 1 75 75 PHE CA C 13 60.610 0.1 . 1 . . . . 75 F CA . 15057 1 890 . 1 1 75 75 PHE CB C 13 37.288 0.1 . 1 . . . . 75 F CB . 15057 1 891 . 1 1 75 75 PHE N N 15 116.862 0.1 . 1 . . . . 75 F N . 15057 1 892 . 1 1 76 76 SER H H 1 8.965 0.01 . 1 . . . . 76 S HN . 15057 1 893 . 1 1 76 76 SER HA H 1 4.105 0.01 . 1 . . . . 76 S HA . 15057 1 894 . 1 1 76 76 SER HB2 H 1 3.968 0.01 . 1 . . . . 76 S HB# . 15057 1 895 . 1 1 76 76 SER HB3 H 1 3.968 0.01 . 1 . . . . 76 S HB# . 15057 1 896 . 1 1 76 76 SER C C 13 177.475 0.1 . 1 . . . . 76 S CO . 15057 1 897 . 1 1 76 76 SER CA C 13 60.759 0.1 . 1 . . . . 76 S CA . 15057 1 898 . 1 1 76 76 SER CB C 13 62.823 0.1 . 1 . . . . 76 S CB . 15057 1 899 . 1 1 76 76 SER N N 15 115.791 0.1 . 1 . . . . 76 S N . 15057 1 900 . 1 1 77 77 ASN H H 1 8.738 0.01 . 1 . . . . 77 N HN . 15057 1 901 . 1 1 77 77 ASN HA H 1 4.278 0.01 . 1 . . . . 77 N HA . 15057 1 902 . 1 1 77 77 ASN HB2 H 1 2.839 0.01 . 1 . . . . 77 N HB2 . 15057 1 903 . 1 1 77 77 ASN HB3 H 1 2.546 0.01 . 1 . . . . 77 N HB3 . 15057 1 904 . 1 1 77 77 ASN C C 13 175.994 0.1 . 1 . . . . 77 N CO . 15057 1 905 . 1 1 77 77 ASN CA C 13 54.849 0.1 . 1 . . . . 77 N CA . 15057 1 906 . 1 1 77 77 ASN CB C 13 37.855 0.1 . 1 . . . . 77 N CB . 15057 1 907 . 1 1 77 77 ASN N N 15 119.640 0.1 . 1 . . . . 77 N N . 15057 1 908 . 1 1 78 78 CYS H H 1 6.965 0.01 . 1 . . . . 78 C HN . 15057 1 909 . 1 1 78 78 CYS HA H 1 4.094 0.01 . 1 . . . . 78 C HA . 15057 1 910 . 1 1 78 78 CYS HB2 H 1 3.061 0.01 . 1 . . . . 78 C HB2 . 15057 1 911 . 1 1 78 78 CYS HB3 H 1 2.913 0.01 . 1 . . . . 78 C HB3 . 15057 1 912 . 1 1 78 78 CYS HG H 1 1.728 0.01 . 1 . . . . 78 C HG . 15057 1 913 . 1 1 78 78 CYS C C 13 177.309 0.1 . 1 . . . . 78 C CO . 15057 1 914 . 1 1 78 78 CYS CA C 13 62.345 0.1 . 1 . . . . 78 C CA . 15057 1 915 . 1 1 78 78 CYS CB C 13 25.730 0.1 . 1 . . . . 78 C CB . 15057 1 916 . 1 1 78 78 CYS N N 15 120.593 0.1 . 1 . . . . 78 C N . 15057 1 917 . 1 1 79 79 TYR H H 1 7.812 0.01 . 1 . . . . 79 Y HN . 15057 1 918 . 1 1 79 79 TYR HA H 1 4.684 0.01 . 1 . . . . 79 Y HA . 15057 1 919 . 1 1 79 79 TYR HB2 H 1 3.301 0.01 . 1 . . . . 79 Y HB2 . 15057 1 920 . 1 1 79 79 TYR HB3 H 1 2.937 0.01 . 1 . . . . 79 Y HB3 . 15057 1 921 . 1 1 79 79 TYR C C 13 177.737 0.1 . 1 . . . . 79 Y CO . 15057 1 922 . 1 1 79 79 TYR CA C 13 57.346 0.1 . 1 . . . . 79 Y CA . 15057 1 923 . 1 1 79 79 TYR CB C 13 36.857 0.1 . 1 . . . . 79 Y CB . 15057 1 924 . 1 1 79 79 TYR N N 15 117.158 0.1 . 1 . . . . 79 Y N . 15057 1 925 . 1 1 80 80 LYS H H 1 8.238 0.01 . 1 . . . . 80 K HN . 15057 1 926 . 1 1 80 80 LYS HA H 1 4.142 0.01 . 1 . . . . 80 K HA . 15057 1 927 . 1 1 80 80 LYS HB2 H 1 1.894 0.01 . 1 . . . . 80 K HB2 . 15057 1 928 . 1 1 80 80 LYS HB3 H 1 1.771 0.01 . 1 . . . . 80 K HB3 . 15057 1 929 . 1 1 80 80 LYS HG2 H 1 1.333 0.01 . 1 . . . . 80 K HG2 . 15057 1 930 . 1 1 80 80 LYS HG3 H 1 1.199 0.01 . 1 . . . . 80 K HG3 . 15057 1 931 . 1 1 80 80 LYS HD2 H 1 1.614 0.01 . 1 . . . . 80 K HD# . 15057 1 932 . 1 1 80 80 LYS HD3 H 1 1.614 0.01 . 1 . . . . 80 K HD# . 15057 1 933 . 1 1 80 80 LYS HE2 H 1 2.908 0.01 . 1 . . . . 80 K HE# . 15057 1 934 . 1 1 80 80 LYS HE3 H 1 2.908 0.01 . 1 . . . . 80 K HE# . 15057 1 935 . 1 1 80 80 LYS C C 13 177.999 0.1 . 1 . . . . 80 K CO . 15057 1 936 . 1 1 80 80 LYS CA C 13 58.059 0.1 . 1 . . . . 80 K CA . 15057 1 937 . 1 1 80 80 LYS CB C 13 32.746 0.1 . 1 . . . . 80 K CB . 15057 1 938 . 1 1 80 80 LYS CG C 13 24.753 0.1 . 1 . . . . 80 K CG . 15057 1 939 . 1 1 80 80 LYS CD C 13 28.817 0.1 . 1 . . . . 80 K CD . 15057 1 940 . 1 1 80 80 LYS CE C 13 42.058 0.1 . 1 . . . . 80 K CE . 15057 1 941 . 1 1 80 80 LYS N N 15 117.237 0.1 . 1 . . . . 80 K N . 15057 1 942 . 1 1 81 81 TYR H H 1 8.058 0.01 . 1 . . . . 81 Y HN . 15057 1 943 . 1 1 81 81 TYR HA H 1 4.055 0.01 . 1 . . . . 81 Y HA . 15057 1 944 . 1 1 81 81 TYR HB2 H 1 2.844 0.01 . 1 . . . . 81 Y HB2 . 15057 1 945 . 1 1 81 81 TYR HB3 H 1 2.771 0.01 . 1 . . . . 81 Y HB3 . 15057 1 946 . 1 1 81 81 TYR HD1 H 1 6.748 0.01 . 1 . . . . 81 Y HD# . 15057 1 947 . 1 1 81 81 TYR HD2 H 1 6.748 0.01 . 1 . . . . 81 Y HD# . 15057 1 948 . 1 1 81 81 TYR HE1 H 1 6.681 0.01 . 1 . . . . 81 Y HE# . 15057 1 949 . 1 1 81 81 TYR HE2 H 1 6.681 0.01 . 1 . . . . 81 Y HE# . 15057 1 950 . 1 1 81 81 TYR C C 13 175.109 0.1 . 1 . . . . 81 Y CO . 15057 1 951 . 1 1 81 81 TYR CA C 13 61.459 0.1 . 1 . . . . 81 Y CA . 15057 1 952 . 1 1 81 81 TYR CB C 13 40.317 0.1 . 1 . . . . 81 Y CB . 15057 1 953 . 1 1 81 81 TYR N N 15 116.335 0.1 . 1 . . . . 81 Y N . 15057 1 954 . 1 1 82 82 ASN H H 1 7.470 0.01 . 1 . . . . 82 N HN . 15057 1 955 . 1 1 82 82 ASN HB2 H 1 2.553 0.01 . 1 . . . . 82 N HB2 . 15057 1 956 . 1 1 82 82 ASN HB3 H 1 2.075 0.01 . 1 . . . . 82 N HB3 . 15057 1 957 . 1 1 82 82 ASN C C 13 171.971 0.1 . 1 . . . . 82 N CO . 15057 1 958 . 1 1 82 82 ASN CA C 13 51.672 0.1 . 1 . . . . 82 N CA . 15057 1 959 . 1 1 82 82 ASN CB C 13 40.711 0.1 . 1 . . . . 82 N CB . 15057 1 960 . 1 1 82 82 ASN N N 15 113.593 0.1 . 1 . . . . 82 N N . 15057 1 961 . 1 1 83 83 PRO HA H 1 4.668 0.01 . 1 . . . . 83 P HA . 15057 1 962 . 1 1 83 83 PRO HB2 H 1 2.426 0.01 . 1 . . . . 83 P HB2 . 15057 1 963 . 1 1 83 83 PRO HB3 H 1 2.026 0.01 . 1 . . . . 83 P HB3 . 15057 1 964 . 1 1 83 83 PRO HG2 H 1 2.099 0.01 . 1 . . . . 83 P HG# . 15057 1 965 . 1 1 83 83 PRO HG3 H 1 2.099 0.01 . 1 . . . . 83 P HG# . 15057 1 966 . 1 1 83 83 PRO HD2 H 1 3.867 0.01 . 1 . . . . 83 P HD2 . 15057 1 967 . 1 1 83 83 PRO HD3 H 1 3.355 0.01 . 1 . . . . 83 P HD3 . 15057 1 968 . 1 1 83 83 PRO CA C 13 61.624 0.1 . 1 . . . . 83 P CA . 15057 1 969 . 1 1 83 83 PRO CB C 13 31.054 0.1 . 1 . . . . 83 P CB . 15057 1 970 . 1 1 83 83 PRO CG C 13 27.763 0.1 . 1 . . . . 83 P CG . 15057 1 971 . 1 1 83 83 PRO CD C 13 50.472 0.1 . 1 . . . . 83 P CD . 15057 1 972 . 1 1 84 84 PRO HA H 1 4.298 0.01 . 1 . . . . 84 P HA . 15057 1 973 . 1 1 84 84 PRO HB2 H 1 2.311 0.01 . 1 . . . . 84 P HB2 . 15057 1 974 . 1 1 84 84 PRO HB3 H 1 1.942 0.01 . 1 . . . . 84 P HB3 . 15057 1 975 . 1 1 84 84 PRO HG2 H 1 2.047 0.01 . 1 . . . . 84 P HG2 . 15057 1 976 . 1 1 84 84 PRO HG3 H 1 1.982 0.01 . 1 . . . . 84 P HG3 . 15057 1 977 . 1 1 84 84 PRO HD2 H 1 3.742 0.01 . 1 . . . . 84 P HD# . 15057 1 978 . 1 1 84 84 PRO HD3 H 1 3.742 0.01 . 1 . . . . 84 P HD# . 15057 1 979 . 1 1 84 84 PRO C C 13 176.553 0.1 . 1 . . . . 84 P CO . 15057 1 980 . 1 1 84 84 PRO CA C 13 64.918 0.1 . 1 . . . . 84 P CA . 15057 1 981 . 1 1 84 84 PRO CB C 13 31.861 0.1 . 1 . . . . 84 P CB . 15057 1 982 . 1 1 84 84 PRO CG C 13 27.538 0.1 . 1 . . . . 84 P CG . 15057 1 983 . 1 1 84 84 PRO CD C 13 50.763 0.1 . 1 . . . . 84 P CD . 15057 1 984 . 1 1 85 85 ASP H H 1 8.216 0.01 . 1 . . . . 85 D HN . 15057 1 985 . 1 1 85 85 ASP HA H 1 4.566 0.01 . 1 . . . . 85 D HA . 15057 1 986 . 1 1 85 85 ASP HB2 H 1 2.796 0.01 . 1 . . . . 85 D HB2 . 15057 1 987 . 1 1 85 85 ASP HB3 H 1 2.570 0.01 . 1 . . . . 85 D HB3 . 15057 1 988 . 1 1 85 85 ASP C C 13 175.844 0.1 . 1 . . . . 85 D CO . 15057 1 989 . 1 1 85 85 ASP CA C 13 52.964 0.1 . 1 . . . . 85 D CA . 15057 1 990 . 1 1 85 85 ASP CB C 13 39.697 0.1 . 1 . . . . 85 D CB . 15057 1 991 . 1 1 85 85 ASP N N 15 113.855 0.1 . 1 . . . . 85 D N . 15057 1 992 . 1 1 86 86 HIS H H 1 7.951 0.01 . 1 . . . . 86 H HN . 15057 1 993 . 1 1 86 86 HIS HA H 1 4.275 0.01 . 1 . . . . 86 H HA . 15057 1 994 . 1 1 86 86 HIS HB2 H 1 3.182 0.01 . 1 . . . . 86 H HB2 . 15057 1 995 . 1 1 86 86 HIS HB3 H 1 3.007 0.01 . 1 . . . . 86 H HB3 . 15057 1 996 . 1 1 86 86 HIS C C 13 177.781 0.1 . 1 . . . . 86 H CO . 15057 1 997 . 1 1 86 86 HIS CA C 13 58.176 0.1 . 1 . . . . 86 H CA . 15057 1 998 . 1 1 86 86 HIS CB C 13 32.080 0.1 . 1 . . . . 86 H CB . 15057 1 999 . 1 1 86 86 HIS N N 15 122.320 0.1 . 1 . . . . 86 H N . 15057 1 1000 . 1 1 87 87 GLU H H 1 9.126 0.01 . 1 . . . . 87 E HN . 15057 1 1001 . 1 1 87 87 GLU HA H 1 4.154 0.01 . 1 . . . . 87 E HA . 15057 1 1002 . 1 1 87 87 GLU HB2 H 1 2.066 0.01 . 1 . . . . 87 E HB# . 15057 1 1003 . 1 1 87 87 GLU HB3 H 1 2.066 0.01 . 1 . . . . 87 E HB# . 15057 1 1004 . 1 1 87 87 GLU HG2 H 1 2.355 0.01 . 1 . . . . 87 E HG# . 15057 1 1005 . 1 1 87 87 GLU HG3 H 1 2.355 0.01 . 1 . . . . 87 E HG# . 15057 1 1006 . 1 1 87 87 GLU C C 13 178.824 0.1 . 1 . . . . 87 E CO . 15057 1 1007 . 1 1 87 87 GLU CA C 13 59.861 0.1 . 1 . . . . 87 E CA . 15057 1 1008 . 1 1 87 87 GLU CB C 13 29.362 0.1 . 1 . . . . 87 E CB . 15057 1 1009 . 1 1 87 87 GLU CG C 13 35.912 0.1 . 1 . . . . 87 E CG . 15057 1 1010 . 1 1 87 87 GLU N N 15 130.826 0.1 . 1 . . . . 87 E N . 15057 1 1011 . 1 1 88 88 VAL HA H 1 4.129 0.01 . 1 . . . . 88 V HA . 15057 1 1012 . 1 1 88 88 VAL HB H 1 2.161 0.01 . 1 . . . . 88 V HB . 15057 1 1013 . 1 1 88 88 VAL HG11 H 1 0.859 0.01 . 1 . . . . 88 V HG1# . 15057 1 1014 . 1 1 88 88 VAL HG12 H 1 0.859 0.01 . 1 . . . . 88 V HG1# . 15057 1 1015 . 1 1 88 88 VAL HG13 H 1 0.859 0.01 . 1 . . . . 88 V HG1# . 15057 1 1016 . 1 1 88 88 VAL HG21 H 1 0.741 0.01 . 1 . . . . 88 V HG2# . 15057 1 1017 . 1 1 88 88 VAL HG22 H 1 0.741 0.01 . 1 . . . . 88 V HG2# . 15057 1 1018 . 1 1 88 88 VAL HG23 H 1 0.741 0.01 . 1 . . . . 88 V HG2# . 15057 1 1019 . 1 1 88 88 VAL C C 13 177.162 0.1 . 1 . . . . 88 V CO . 15057 1 1020 . 1 1 88 88 VAL CA C 13 65.397 0.1 . 1 . . . . 88 V CA . 15057 1 1021 . 1 1 88 88 VAL CB C 13 31.285 0.1 . 1 . . . . 88 V CB . 15057 1 1022 . 1 1 88 88 VAL CG1 C 13 23.494 0.1 . 1 . . . . 88 V CG# . 15057 1 1023 . 1 1 88 88 VAL CG2 C 13 23.494 0.1 . 1 . . . . 88 V CG# . 15057 1 1024 . 1 1 89 89 VAL H H 1 7.368 0.01 . 1 . . . . 89 V HN . 15057 1 1025 . 1 1 89 89 VAL HA H 1 3.815 0.01 . 1 . . . . 89 V HA . 15057 1 1026 . 1 1 89 89 VAL HB H 1 2.373 0.01 . 1 . . . . 89 V HB . 15057 1 1027 . 1 1 89 89 VAL HG11 H 1 1.159 0.01 . 1 . . . . 89 V HG1# . 15057 1 1028 . 1 1 89 89 VAL HG12 H 1 1.159 0.01 . 1 . . . . 89 V HG1# . 15057 1 1029 . 1 1 89 89 VAL HG13 H 1 1.159 0.01 . 1 . . . . 89 V HG1# . 15057 1 1030 . 1 1 89 89 VAL HG21 H 1 1.108 0.01 . 1 . . . . 89 V HG2# . 15057 1 1031 . 1 1 89 89 VAL HG22 H 1 1.108 0.01 . 1 . . . . 89 V HG2# . 15057 1 1032 . 1 1 89 89 VAL HG23 H 1 1.108 0.01 . 1 . . . . 89 V HG2# . 15057 1 1033 . 1 1 89 89 VAL C C 13 177.401 0.1 . 1 . . . . 89 V CO . 15057 1 1034 . 1 1 89 89 VAL CA C 13 66.828 0.1 . 1 . . . . 89 V CA . 15057 1 1035 . 1 1 89 89 VAL CB C 13 31.192 0.1 . 1 . . . . 89 V CB . 15057 1 1036 . 1 1 89 89 VAL CG1 C 13 25.709 0.1 . 1 . . . . 89 V CG1 . 15057 1 1037 . 1 1 89 89 VAL CG2 C 13 21.978 0.1 . 1 . . . . 89 V CG2 . 15057 1 1038 . 1 1 89 89 VAL N N 15 122.309 0.1 . 1 . . . . 89 V N . 15057 1 1039 . 1 1 90 90 ALA H H 1 7.076 0.01 . 1 . . . . 90 A HN . 15057 1 1040 . 1 1 90 90 ALA HA H 1 4.109 0.01 . 1 . . . . 90 A HA . 15057 1 1041 . 1 1 90 90 ALA HB1 H 1 1.499 0.01 . 1 . . . . 90 A HB# . 15057 1 1042 . 1 1 90 90 ALA HB2 H 1 1.499 0.01 . 1 . . . . 90 A HB# . 15057 1 1043 . 1 1 90 90 ALA HB3 H 1 1.499 0.01 . 1 . . . . 90 A HB# . 15057 1 1044 . 1 1 90 90 ALA C C 13 181.341 0.1 . 1 . . . . 90 A CO . 15057 1 1045 . 1 1 90 90 ALA CA C 13 55.074 0.1 . 1 . . . . 90 A CA . 15057 1 1046 . 1 1 90 90 ALA CB C 13 17.905 0.1 . 1 . . . . 90 A CB . 15057 1 1047 . 1 1 90 90 ALA N N 15 121.792 0.1 . 1 . . . . 90 A N . 15057 1 1048 . 1 1 91 91 MET H H 1 7.840 0.01 . 1 . . . . 91 M HN . 15057 1 1049 . 1 1 91 91 MET HA H 1 4.037 0.01 . 1 . . . . 91 M HA . 15057 1 1050 . 1 1 91 91 MET HB2 H 1 3.202 0.01 . 1 . . . . 91 M HB# . 15057 1 1051 . 1 1 91 91 MET HB3 H 1 3.202 0.01 . 1 . . . . 91 M HB# . 15057 1 1052 . 1 1 91 91 MET HG2 H 1 2.950 0.01 . 1 . . . . 91 M HG2 . 15057 1 1053 . 1 1 91 91 MET HG3 H 1 2.639 0.01 . 1 . . . . 91 M HG3 . 15057 1 1054 . 1 1 91 91 MET HE1 H 1 2.185 0.01 . 1 . . . . 91 M HE# . 15057 1 1055 . 1 1 91 91 MET HE2 H 1 2.185 0.01 . 1 . . . . 91 M HE# . 15057 1 1056 . 1 1 91 91 MET HE3 H 1 2.185 0.01 . 1 . . . . 91 M HE# . 15057 1 1057 . 1 1 91 91 MET C C 13 177.032 0.1 . 1 . . . . 91 M CO . 15057 1 1058 . 1 1 91 91 MET CA C 13 60.571 0.1 . 1 . . . . 91 M CA . 15057 1 1059 . 1 1 91 91 MET CB C 13 31.495 0.1 . 1 . . . . 91 M CB . 15057 1 1060 . 1 1 91 91 MET CG C 13 33.969 0.1 . 1 . . . . 91 M CG . 15057 1 1061 . 1 1 91 91 MET CE C 13 18.787 0.1 . 1 . . . . 91 M CE . 15057 1 1062 . 1 1 91 91 MET N N 15 119.060 0.1 . 1 . . . . 91 M N . 15057 1 1063 . 1 1 92 92 ALA H H 1 8.636 0.01 . 1 . . . . 92 A HN . 15057 1 1064 . 1 1 92 92 ALA HA H 1 3.714 0.01 . 1 . . . . 92 A HA . 15057 1 1065 . 1 1 92 92 ALA HB1 H 1 1.742 0.01 . 1 . . . . 92 A HB# . 15057 1 1066 . 1 1 92 92 ALA HB2 H 1 1.742 0.01 . 1 . . . . 92 A HB# . 15057 1 1067 . 1 1 92 92 ALA HB3 H 1 1.742 0.01 . 1 . . . . 92 A HB# . 15057 1 1068 . 1 1 92 92 ALA C C 13 178.346 0.1 . 1 . . . . 92 A CO . 15057 1 1069 . 1 1 92 92 ALA CA C 13 55.423 0.1 . 1 . . . . 92 A CA . 15057 1 1070 . 1 1 92 92 ALA CB C 13 19.837 0.1 . 1 . . . . 92 A CB . 15057 1 1071 . 1 1 92 92 ALA N N 15 121.331 0.1 . 1 . . . . 92 A N . 15057 1 1072 . 1 1 93 93 ARG H H 1 8.249 0.01 . 1 . . . . 93 R HN . 15057 1 1073 . 1 1 93 93 ARG HA H 1 3.812 0.01 . 1 . . . . 93 R HA . 15057 1 1074 . 1 1 93 93 ARG HB2 H 1 1.740 0.01 . 1 . . . . 93 R HB# . 15057 1 1075 . 1 1 93 93 ARG HB3 H 1 1.740 0.01 . 1 . . . . 93 R HB# . 15057 1 1076 . 1 1 93 93 ARG HD2 H 1 3.037 0.01 . 1 . . . . 93 R HD2 . 15057 1 1077 . 1 1 93 93 ARG HD3 H 1 2.915 0.01 . 1 . . . . 93 R HD3 . 15057 1 1078 . 1 1 93 93 ARG C C 13 179.474 0.1 . 1 . . . . 93 R CO . 15057 1 1079 . 1 1 93 93 ARG CA C 13 59.085 0.1 . 1 . . . . 93 R CA . 15057 1 1080 . 1 1 93 93 ARG CB C 13 30.028 0.1 . 1 . . . . 93 R CB . 15057 1 1081 . 1 1 93 93 ARG CD C 13 43.104 0.1 . 1 . . . . 93 R CD . 15057 1 1082 . 1 1 93 93 ARG N N 15 115.634 0.1 . 1 . . . . 93 R N . 15057 1 1083 . 1 1 94 94 LYS H H 1 7.350 0.01 . 1 . . . . 94 K HN . 15057 1 1084 . 1 1 94 94 LYS HA H 1 3.827 0.01 . 1 . . . . 94 K HA . 15057 1 1085 . 1 1 94 94 LYS HB2 H 1 1.475 0.01 . 1 . . . . 94 K HB2 . 15057 1 1086 . 1 1 94 94 LYS HB3 H 1 0.942 0.01 . 1 . . . . 94 K HB3 . 15057 1 1087 . 1 1 94 94 LYS HG2 H 1 1.242 0.01 . 1 . . . . 94 K HG2 . 15057 1 1088 . 1 1 94 94 LYS HG3 H 1 0.791 0.01 . 1 . . . . 94 K HG3 . 15057 1 1089 . 1 1 94 94 LYS HD2 H 1 1.231 0.01 . 1 . . . . 94 K HD2 . 15057 1 1090 . 1 1 94 94 LYS HD3 H 1 1.045 0.01 . 1 . . . . 94 K HD3 . 15057 1 1091 . 1 1 94 94 LYS HE2 H 1 2.616 0.01 . 1 . . . . 94 K HE# . 15057 1 1092 . 1 1 94 94 LYS HE3 H 1 2.616 0.01 . 1 . . . . 94 K HE# . 15057 1 1093 . 1 1 94 94 LYS C C 13 179.480 0.1 . 1 . . . . 94 K CO . 15057 1 1094 . 1 1 94 94 LYS CA C 13 59.338 0.1 . 1 . . . . 94 K CA . 15057 1 1095 . 1 1 94 94 LYS CB C 13 32.295 0.1 . 1 . . . . 94 K CB . 15057 1 1096 . 1 1 94 94 LYS CG C 13 25.174 0.1 . 1 . . . . 94 K CG . 15057 1 1097 . 1 1 94 94 LYS CD C 13 29.152 0.1 . 1 . . . . 94 K CD . 15057 1 1098 . 1 1 94 94 LYS CE C 13 41.793 0.1 . 1 . . . . 94 K CE . 15057 1 1099 . 1 1 94 94 LYS N N 15 118.919 0.1 . 1 . . . . 94 K N . 15057 1 1100 . 1 1 95 95 LEU H H 1 8.289 0.01 . 1 . . . . 95 L HN . 15057 1 1101 . 1 1 95 95 LEU HA H 1 4.133 0.01 . 1 . . . . 95 L HA . 15057 1 1102 . 1 1 95 95 LEU HB2 H 1 1.931 0.01 . 1 . . . . 95 L HB2 . 15057 1 1103 . 1 1 95 95 LEU HB3 H 1 1.505 0.01 . 1 . . . . 95 L HB3 . 15057 1 1104 . 1 1 95 95 LEU HG H 1 1.811 0.01 . 1 . . . . 95 L HG . 15057 1 1105 . 1 1 95 95 LEU HD11 H 1 1.031 0.01 . 1 . . . . 95 L HD1# . 15057 1 1106 . 1 1 95 95 LEU HD12 H 1 1.031 0.01 . 1 . . . . 95 L HD1# . 15057 1 1107 . 1 1 95 95 LEU HD13 H 1 1.031 0.01 . 1 . . . . 95 L HD1# . 15057 1 1108 . 1 1 95 95 LEU HD21 H 1 1.051 0.01 . 1 . . . . 95 L HD2# . 15057 1 1109 . 1 1 95 95 LEU HD22 H 1 1.051 0.01 . 1 . . . . 95 L HD2# . 15057 1 1110 . 1 1 95 95 LEU HD23 H 1 1.051 0.01 . 1 . . . . 95 L HD2# . 15057 1 1111 . 1 1 95 95 LEU C C 13 178.036 0.1 . 1 . . . . 95 L CO . 15057 1 1112 . 1 1 95 95 LEU CA C 13 57.171 0.1 . 1 . . . . 95 L CA . 15057 1 1113 . 1 1 95 95 LEU CB C 13 41.689 0.1 . 1 . . . . 95 L CB . 15057 1 1114 . 1 1 95 95 LEU CD1 C 13 26.449 0.1 . 1 . . . . 95 L CD1 . 15057 1 1115 . 1 1 95 95 LEU CD2 C 13 22.660 0.1 . 1 . . . . 95 L CD2 . 15057 1 1116 . 1 1 95 95 LEU N N 15 120.760 0.1 . 1 . . . . 95 L N . 15057 1 1117 . 1 1 96 96 GLN H H 1 9.200 0.01 . 1 . . . . 96 Q HN . 15057 1 1118 . 1 1 96 96 GLN HA H 1 3.263 0.01 . 1 . . . . 96 Q HA . 15057 1 1119 . 1 1 96 96 GLN HB2 H 1 1.485 0.01 . 1 . . . . 96 Q HB2 . 15057 1 1120 . 1 1 96 96 GLN HB3 H 1 0.018 0.01 . 1 . . . . 96 Q HB3 . 15057 1 1121 . 1 1 96 96 GLN HG2 H 1 2.493 0.01 . 1 . . . . 96 Q HG2 . 15057 1 1122 . 1 1 96 96 GLN HG3 H 1 1.939 0.01 . 1 . . . . 96 Q HG3 . 15057 1 1123 . 1 1 96 96 GLN C C 13 177.636 0.1 . 1 . . . . 96 Q CO . 15057 1 1124 . 1 1 96 96 GLN CA C 13 59.812 0.1 . 1 . . . . 96 Q CA . 15057 1 1125 . 1 1 96 96 GLN CB C 13 25.277 0.1 . 1 . . . . 96 Q CB . 15057 1 1126 . 1 1 96 96 GLN CG C 13 34.434 0.1 . 1 . . . . 96 Q CG . 15057 1 1127 . 1 1 96 96 GLN N N 15 121.259 0.1 . 1 . . . . 96 Q N . 15057 1 1128 . 1 1 97 97 ASP H H 1 7.699 0.01 . 1 . . . . 97 D HN . 15057 1 1129 . 1 1 97 97 ASP HA H 1 4.280 0.01 . 1 . . . . 97 D HA . 15057 1 1130 . 1 1 97 97 ASP HB2 H 1 2.675 0.01 . 1 . . . . 97 D HB2 . 15057 1 1131 . 1 1 97 97 ASP HB3 H 1 2.526 0.01 . 1 . . . . 97 D HB3 . 15057 1 1132 . 1 1 97 97 ASP C C 13 178.850 0.1 . 1 . . . . 97 D CO . 15057 1 1133 . 1 1 97 97 ASP CA C 13 57.742 0.1 . 1 . . . . 97 D CA . 15057 1 1134 . 1 1 97 97 ASP CB C 13 40.266 0.1 . 1 . . . . 97 D CB . 15057 1 1135 . 1 1 97 97 ASP N N 15 119.670 0.1 . 1 . . . . 97 D N . 15057 1 1136 . 1 1 98 98 VAL H H 1 7.023 0.01 . 1 . . . . 98 V HN . 15057 1 1137 . 1 1 98 98 VAL HA H 1 3.570 0.01 . 1 . . . . 98 V HA . 15057 1 1138 . 1 1 98 98 VAL HB H 1 2.311 0.01 . 1 . . . . 98 V HB . 15057 1 1139 . 1 1 98 98 VAL HG11 H 1 1.048 0.01 . 1 . . . . 98 V HG1# . 15057 1 1140 . 1 1 98 98 VAL HG12 H 1 1.048 0.01 . 1 . . . . 98 V HG1# . 15057 1 1141 . 1 1 98 98 VAL HG13 H 1 1.048 0.01 . 1 . . . . 98 V HG1# . 15057 1 1142 . 1 1 98 98 VAL HG21 H 1 0.556 0.01 . 1 . . . . 98 V HG2# . 15057 1 1143 . 1 1 98 98 VAL HG22 H 1 0.556 0.01 . 1 . . . . 98 V HG2# . 15057 1 1144 . 1 1 98 98 VAL HG23 H 1 0.556 0.01 . 1 . . . . 98 V HG2# . 15057 1 1145 . 1 1 98 98 VAL C C 13 177.935 0.1 . 1 . . . . 98 V CO . 15057 1 1146 . 1 1 98 98 VAL CA C 13 66.286 0.1 . 1 . . . . 98 V CA . 15057 1 1147 . 1 1 98 98 VAL CB C 13 31.787 0.1 . 1 . . . . 98 V CB . 15057 1 1148 . 1 1 98 98 VAL CG1 C 13 22.877 0.1 . 1 . . . . 98 V CG# . 15057 1 1149 . 1 1 98 98 VAL CG2 C 13 22.877 0.1 . 1 . . . . 98 V CG# . 15057 1 1150 . 1 1 98 98 VAL N N 15 119.281 0.1 . 1 . . . . 98 V N . 15057 1 1151 . 1 1 99 99 PHE H H 1 8.183 0.01 . 1 . . . . 99 F HN . 15057 1 1152 . 1 1 99 99 PHE HA H 1 3.899 0.1 . 1 . . . . 99 F HA . 15057 1 1153 . 1 1 99 99 PHE HB2 H 1 3.386 0.1 . 1 . . . . 99 F HB2 . 15057 1 1154 . 1 1 99 99 PHE HB3 H 1 3.067 0.01 . 1 . . . . 99 F HB3 . 15057 1 1155 . 1 1 99 99 PHE C C 13 176.282 0.1 . 1 . . . . 99 F CO . 15057 1 1156 . 1 1 99 99 PHE CA C 13 61.857 0.1 . 1 . . . . 99 F CA . 15057 1 1157 . 1 1 99 99 PHE CB C 13 38.432 0.1 . 1 . . . . 99 F CB . 15057 1 1158 . 1 1 99 99 PHE N N 15 118.560 0.01 . 1 . . . . 99 F N . 15057 1 1159 . 1 1 100 100 GLU H H 1 9.588 0.01 . 1 . . . . 100 E HN . 15057 1 1160 . 1 1 100 100 GLU HA H 1 3.610 0.01 . 1 . . . . 100 E HA . 15057 1 1161 . 1 1 100 100 GLU HB2 H 1 2.028 0.01 . 1 . . . . 100 E HB2 . 15057 1 1162 . 1 1 100 100 GLU HB3 H 1 1.839 0.01 . 1 . . . . 100 E HB3 . 15057 1 1163 . 1 1 100 100 GLU HG2 H 1 2.742 0.01 . 1 . . . . 100 E HG2 . 15057 1 1164 . 1 1 100 100 GLU HG3 H 1 2.486 0.01 . 1 . . . . 100 E HG3 . 15057 1 1165 . 1 1 100 100 GLU C C 13 180.660 0.1 . 1 . . . . 100 E CO . 15057 1 1166 . 1 1 100 100 GLU CA C 13 58.710 0.1 . 1 . . . . 100 E CA . 15057 1 1167 . 1 1 100 100 GLU CB C 13 28.294 0.1 . 1 . . . . 100 E CB . 15057 1 1168 . 1 1 100 100 GLU CG C 13 35.834 0.1 . 1 . . . . 100 E CG . 15057 1 1169 . 1 1 100 100 GLU N N 15 117.750 0.1 . 1 . . . . 100 E N . 15057 1 1170 . 1 1 101 101 MET H H 1 7.742 0.01 . 1 . . . . 101 M HN . 15057 1 1171 . 1 1 101 101 MET HA H 1 4.172 0.01 . 1 . . . . 101 M HA . 15057 1 1172 . 1 1 101 101 MET HB2 H 1 2.230 0.01 . 1 . . . . 101 M HB2 . 15057 1 1173 . 1 1 101 101 MET HB3 H 1 2.080 0.01 . 1 . . . . 101 M HB3 . 15057 1 1174 . 1 1 101 101 MET HG2 H 1 2.661 0.01 . 1 . . . . 101 M HG2 . 15057 1 1175 . 1 1 101 101 MET HG3 H 1 2.543 0.01 . 1 . . . . 101 M HG3 . 15057 1 1176 . 1 1 101 101 MET C C 13 179.037 0.1 . 1 . . . . 101 M CO . 15057 1 1177 . 1 1 101 101 MET CA C 13 58.966 0.1 . 1 . . . . 101 M CA . 15057 1 1178 . 1 1 101 101 MET CB C 13 32.030 0.1 . 1 . . . . 101 M CB . 15057 1 1179 . 1 1 101 101 MET CG C 13 31.664 0.1 . 1 . . . . 101 M CG . 15057 1 1180 . 1 1 101 101 MET N N 15 118.713 0.1 . 1 . . . . 101 M N . 15057 1 1181 . 1 1 102 102 ARG H H 1 7.608 0.01 . 1 . . . . 102 R HN . 15057 1 1182 . 1 1 102 102 ARG HA H 1 3.958 0.01 . 1 . . . . 102 R HA . 15057 1 1183 . 1 1 102 102 ARG HB2 H 1 1.836 0.01 . 1 . . . . 102 R HB# . 15057 1 1184 . 1 1 102 102 ARG HB3 H 1 1.836 0.01 . 1 . . . . 102 R HB# . 15057 1 1185 . 1 1 102 102 ARG HG2 H 1 1.935 0.01 . 1 . . . . 102 R HG2 . 15057 1 1186 . 1 1 102 102 ARG HG3 H 1 1.876 0.01 . 1 . . . . 102 R HG3 . 15057 1 1187 . 1 1 102 102 ARG HD2 H 1 3.232 0.01 . 1 . . . . 102 R HD2 . 15057 1 1188 . 1 1 102 102 ARG HD3 H 1 3.061 0.01 . 1 . . . . 102 R HD3 . 15057 1 1189 . 1 1 102 102 ARG C C 13 179.075 0.1 . 1 . . . . 102 R CO . 15057 1 1190 . 1 1 102 102 ARG CA C 13 57.571 0.1 . 1 . . . . 102 R CA . 15057 1 1191 . 1 1 102 102 ARG CB C 13 30.120 0.1 . 1 . . . . 102 R CB . 15057 1 1192 . 1 1 102 102 ARG CD C 13 41.663 0.1 . 1 . . . . 102 R CD . 15057 1 1193 . 1 1 102 102 ARG N N 15 117.948 0.1 . 1 . . . . 102 R N . 15057 1 1194 . 1 1 103 103 PHE H H 1 9.278 0.01 . 1 . . . . 103 F HN . 15057 1 1195 . 1 1 103 103 PHE HA H 1 3.890 0.01 . 1 . . . . 103 F HA . 15057 1 1196 . 1 1 103 103 PHE HB2 H 1 2.377 0.01 . 1 . . . . 103 F HB2 . 15057 1 1197 . 1 1 103 103 PHE HB3 H 1 2.066 0.01 . 1 . . . . 103 F HB3 . 15057 1 1198 . 1 1 103 103 PHE C C 13 176.631 0.1 . 1 . . . . 103 F CO . 15057 1 1199 . 1 1 103 103 PHE CA C 13 61.408 0.1 . 1 . . . . 103 F CA . 15057 1 1200 . 1 1 103 103 PHE CB C 13 39.414 0.1 . 1 . . . . 103 F CB . 15057 1 1201 . 1 1 103 103 PHE N N 15 123.392 0.1 . 1 . . . . 103 F N . 15057 1 1202 . 1 1 104 104 ALA H H 1 7.859 0.01 . 1 . . . . 104 A HN . 15057 1 1203 . 1 1 104 104 ALA HA H 1 3.908 0.1 . 1 . . . . 104 A HA . 15057 1 1204 . 1 1 104 104 ALA HB1 H 1 1.413 0.01 . 1 . . . . 104 A HB# . 15057 1 1205 . 1 1 104 104 ALA HB2 H 1 1.413 0.01 . 1 . . . . 104 A HB# . 15057 1 1206 . 1 1 104 104 ALA HB3 H 1 1.413 0.01 . 1 . . . . 104 A HB# . 15057 1 1207 . 1 1 104 104 ALA C C 13 180.524 0.1 . 1 . . . . 104 A CO . 15057 1 1208 . 1 1 104 104 ALA CA C 13 54.926 0.1 . 1 . . . . 104 A CA . 15057 1 1209 . 1 1 104 104 ALA CB C 13 18.090 0.1 . 1 . . . . 104 A CB . 15057 1 1210 . 1 1 104 104 ALA N N 15 118.205 0.01 . 1 . . . . 104 A N . 15057 1 1211 . 1 1 105 105 LYS H H 1 7.276 0.01 . 1 . . . . 105 K HN . 15057 1 1212 . 1 1 105 105 LYS HA H 1 3.977 0.01 . 1 . . . . 105 K HA . 15057 1 1213 . 1 1 105 105 LYS HB2 H 1 1.801 0.01 . 1 . . . . 105 K HB# . 15057 1 1214 . 1 1 105 105 LYS HB3 H 1 1.801 0.01 . 1 . . . . 105 K HB# . 15057 1 1215 . 1 1 105 105 LYS HG2 H 1 1.452 0.01 . 1 . . . . 105 K HG# . 15057 1 1216 . 1 1 105 105 LYS HG3 H 1 1.452 0.01 . 1 . . . . 105 K HG# . 15057 1 1217 . 1 1 105 105 LYS HD2 H 1 1.604 0.01 . 1 . . . . 105 K HD# . 15057 1 1218 . 1 1 105 105 LYS HD3 H 1 1.604 0.01 . 1 . . . . 105 K HD# . 15057 1 1219 . 1 1 105 105 LYS HE2 H 1 2.889 0.01 . 1 . . . . 105 K HE# . 15057 1 1220 . 1 1 105 105 LYS HE3 H 1 2.889 0.01 . 1 . . . . 105 K HE# . 15057 1 1221 . 1 1 105 105 LYS C C 13 178.556 0.1 . 1 . . . . 105 K CO . 15057 1 1222 . 1 1 105 105 LYS CA C 13 58.166 0.1 . 1 . . . . 105 K CA . 15057 1 1223 . 1 1 105 105 LYS CB C 13 31.799 0.1 . 1 . . . . 105 K CB . 15057 1 1224 . 1 1 105 105 LYS CG C 13 24.800 0.1 . 1 . . . . 105 K CG . 15057 1 1225 . 1 1 105 105 LYS CD C 13 28.429 0.1 . 1 . . . . 105 K CD . 15057 1 1226 . 1 1 105 105 LYS CE C 13 42.388 0.1 . 1 . . . . 105 K CE . 15057 1 1227 . 1 1 105 105 LYS N N 15 116.562 0.1 . 1 . . . . 105 K N . 15057 1 1228 . 1 1 106 106 MET H H 1 7.572 0.01 . 1 . . . . 106 M HN . 15057 1 1229 . 1 1 106 106 MET HA H 1 4.032 0.01 . 1 . . . . 106 M HA . 15057 1 1230 . 1 1 106 106 MET HB2 H 1 2.213 0.01 . 1 . . . . 106 M HB# . 15057 1 1231 . 1 1 106 106 MET HB3 H 1 2.213 0.01 . 1 . . . . 106 M HB# . 15057 1 1232 . 1 1 106 106 MET HG2 H 1 2.414 0.01 . 1 . . . . 106 M HG2 . 15057 1 1233 . 1 1 106 106 MET HG3 H 1 2.238 0.01 . 1 . . . . 106 M HG3 . 15057 1 1234 . 1 1 106 106 MET HE1 H 1 1.620 0.01 . 1 . . . . 106 M HE# . 15057 1 1235 . 1 1 106 106 MET HE2 H 1 1.620 0.01 . 1 . . . . 106 M HE# . 15057 1 1236 . 1 1 106 106 MET HE3 H 1 1.620 0.01 . 1 . . . . 106 M HE# . 15057 1 1237 . 1 1 106 106 MET C C 13 177.843 0.1 . 1 . . . . 106 M CO . 15057 1 1238 . 1 1 106 106 MET CA C 13 58.367 0.1 . 1 . . . . 106 M CA . 15057 1 1239 . 1 1 106 106 MET CB C 13 31.285 0.1 . 1 . . . . 106 M CB . 15057 1 1240 . 1 1 106 106 MET CG C 13 31.334 0.1 . 1 . . . . 106 M CG . 15057 1 1241 . 1 1 106 106 MET CE C 13 17.832 0.1 . 1 . . . . 106 M CE . 15057 1 1242 . 1 1 106 106 MET N N 15 119.177 0.1 . 1 . . . . 106 M N . 15057 1 1243 . 1 1 107 107 LEU H H 1 7.494 0.01 . 1 . . . . 107 L HN . 15057 1 1244 . 1 1 107 107 LEU HA H 1 3.898 0.01 . 1 . . . . 107 L HA . 15057 1 1245 . 1 1 107 107 LEU HB2 H 1 1.506 0.01 . 1 . . . . 107 L HB2 . 15057 1 1246 . 1 1 107 107 LEU HB3 H 1 1.267 0.01 . 1 . . . . 107 L HB3 . 15057 1 1247 . 1 1 107 107 LEU HG H 1 1.209 0.01 . 1 . . . . 107 L HG . 15057 1 1248 . 1 1 107 107 LEU HD11 H 1 0.448 0.01 . 1 . . . . 107 L HD1# . 15057 1 1249 . 1 1 107 107 LEU HD12 H 1 0.448 0.01 . 1 . . . . 107 L HD1# . 15057 1 1250 . 1 1 107 107 LEU HD13 H 1 0.448 0.01 . 1 . . . . 107 L HD1# . 15057 1 1251 . 1 1 107 107 LEU HD21 H 1 0.448 0.01 . 1 . . . . 107 L HD2# . 15057 1 1252 . 1 1 107 107 LEU HD22 H 1 0.448 0.01 . 1 . . . . 107 L HD2# . 15057 1 1253 . 1 1 107 107 LEU HD23 H 1 0.448 0.01 . 1 . . . . 107 L HD2# . 15057 1 1254 . 1 1 107 107 LEU C C 13 178.097 0.1 . 1 . . . . 107 L CO . 15057 1 1255 . 1 1 107 107 LEU CA C 13 56.132 0.1 . 1 . . . . 107 L CA . 15057 1 1256 . 1 1 107 107 LEU CB C 13 41.574 0.1 . 1 . . . . 107 L CB . 15057 1 1257 . 1 1 107 107 LEU CG C 13 26.220 0.1 . 1 . . . . 107 L CG . 15057 1 1258 . 1 1 107 107 LEU CD1 C 13 25.422 0.1 . 1 . . . . 107 L CD1 . 15057 1 1259 . 1 1 107 107 LEU CD2 C 13 22.441 0.1 . 1 . . . . 107 L CD2 . 15057 1 1260 . 1 1 107 107 LEU N N 15 118.555 0.1 . 1 . . . . 107 L N . 15057 1 1261 . 1 1 108 108 GLU H H 1 7.550 0.01 . 1 . . . . 108 E HN . 15057 1 1262 . 1 1 108 108 GLU C C 13 176.976 0.1 . 1 . . . . 108 E CO . 15057 1 1263 . 1 1 108 108 GLU N N 15 119.171 0.1 . 1 . . . . 108 E N . 15057 1 stop_ save_