data_5567 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5567 _Entry.Title ; 1H, 15N and 13C Resonance Assignments for a Histone H3 Lysine Methyltransferase from Paramecium Bursaria Chlorella Virus 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-30 _Entry.Accession_date 2002-10-31 _Entry.Last_release_date 2003-06-10 _Entry.Original_release_date 2003-06-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Karishma Manzur . . . 5567 2 Amjad Farooq . . . 5567 3 Lei Zeng . . . 5567 4 Ming-Ming Zhou . . . 5567 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5567 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 5567 '15N chemical shifts' 110 5567 '1H chemical shifts' 659 5567 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 . . 2003-06-10 2002-10-30 original author . 5567 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1N3J 'BMRB Entry Tracking System' 5567 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5567 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N Resonance Assignments of a Viral SET domain Histone Lysine Methyltransferase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 279 _Citation.Page_last 280 _Citation.Year 2003 _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 Karishma Manzur . . . 5567 1 2 Amjad Farooq . . . 5567 1 3 Lei Zeng . . . 5567 1 4 Ming-Ming Zhou . . . 5567 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_vSET _Assembly.Sf_category assembly _Assembly.Sf_framecode system_vSET _Assembly.Entry_ID 5567 _Assembly.ID 1 _Assembly.Name 'Histone H3 Lysine Methyltransferase from Paramecium Bursaria Chlorella Virus 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5567 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'vSET, subunit 1' 1 $vSET . . . native . . 1 . . 5567 1 2 'vSET, subunit 2' 1 $vSET . . . native . . 1 . . 5567 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Histone H3 Lysine Methyltransferase from Paramecium Bursaria Chlorella Virus 1' system 5567 1 vSET abbreviation 5567 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_vSET _Entity.Sf_category entity _Entity.Sf_framecode vSET _Entity.Entry_ID 5567 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Histone H3 Lysine Methyltransferase from Paramecium Bursaria Chlorella Virus 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFNDRVIVKKSPLGGYGVFA RKSFEKGELVEECLCIVRHN DDWGTALEDYLFSRKNMSAM ALGFGAIFNHSKDPNARHEL TAGLKRMRIFTIKPIAIGEE ITISYGDDYWLSRPRLTQN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1N3J . "Structure And Substrate Of A Histone H3 Lysine Methyltransferase From Paramecium Bursaria Chlorella Virus 1" . . . . . 100.00 119 100.00 100.00 7.53e-83 . . . . 5567 1 2 no PDB 2G46 . "Structure Of Vset In Complex With Mek27 H3 Pept. And Cofactor Product Sah" . . . . . 100.00 119 100.00 100.00 7.53e-83 . . . . 5567 1 3 no PDB 3KMA . "Crystal Structure Of Vset Under Condition A" . . . . . 100.00 119 100.00 100.00 7.53e-83 . . . . 5567 1 4 no PDB 3KMJ . "Crystal Structure Of Vset Under Condition B" . . . . . 100.00 119 100.00 100.00 7.53e-83 . . . . 5567 1 5 no PDB 3KMT . "Crystal Structure Of VsetSAHH3 TERNARY COMPLEX" . . . . . 100.00 119 100.00 100.00 7.53e-83 . . . . 5567 1 6 no GB AAC96946 . "Histone H3K27 methylase [Paramecium bursaria Chlorella virus 1]" . . . . . 100.00 119 100.00 100.00 7.53e-83 . . . . 5567 1 7 no GB AGE48522 . "SET domain-containing protein [Paramecium bursaria Chlorella virus AN69C]" . . . . . 100.00 119 98.32 100.00 3.44e-82 . . . . 5567 1 8 no GB AGE52669 . "SET domain-containing protein [Paramecium bursaria Chlorella virus CvsA1]" . . . . . 100.00 119 98.32 100.00 2.64e-82 . . . . 5567 1 9 no GB AGE54030 . "SET domain-containing protein [Paramecium bursaria Chlorella virus IL-3A]" . . . . . 100.00 119 98.32 100.00 3.44e-82 . . . . 5567 1 10 no GB AGE57461 . "SET domain-containing protein [Paramecium bursaria Chlorella virus NE-JV-4]" . . . . . 100.00 119 98.32 100.00 3.44e-82 . . . . 5567 1 11 no REF NP_048968 . "Histone H3K27 methylase [Paramecium bursaria Chlorella virus 1]" . . . . . 100.00 119 100.00 100.00 7.53e-83 . . . . 5567 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Histone H3 Lysine Methyltransferase from Paramecium Bursaria Chlorella Virus 1' common 5567 1 vSET abbreviation 5567 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 . MET . 5567 1 2 . PHE . 5567 1 3 . ASN . 5567 1 4 . ASP . 5567 1 5 . ARG . 5567 1 6 . VAL . 5567 1 7 . ILE . 5567 1 8 . VAL . 5567 1 9 . LYS . 5567 1 10 . LYS . 5567 1 11 . SER . 5567 1 12 . PRO . 5567 1 13 . LEU . 5567 1 14 . GLY . 5567 1 15 . GLY . 5567 1 16 . TYR . 5567 1 17 . GLY . 5567 1 18 . VAL . 5567 1 19 . PHE . 5567 1 20 . ALA . 5567 1 21 . ARG . 5567 1 22 . LYS . 5567 1 23 . SER . 5567 1 24 . PHE . 5567 1 25 . GLU . 5567 1 26 . LYS . 5567 1 27 . GLY . 5567 1 28 . GLU . 5567 1 29 . LEU . 5567 1 30 . VAL . 5567 1 31 . GLU . 5567 1 32 . GLU . 5567 1 33 . CYS . 5567 1 34 . LEU . 5567 1 35 . CYS . 5567 1 36 . ILE . 5567 1 37 . VAL . 5567 1 38 . ARG . 5567 1 39 . HIS . 5567 1 40 . ASN . 5567 1 41 . ASP . 5567 1 42 . ASP . 5567 1 43 . TRP . 5567 1 44 . GLY . 5567 1 45 . THR . 5567 1 46 . ALA . 5567 1 47 . LEU . 5567 1 48 . GLU . 5567 1 49 . ASP . 5567 1 50 . TYR . 5567 1 51 . LEU . 5567 1 52 . PHE . 5567 1 53 . SER . 5567 1 54 . ARG . 5567 1 55 . LYS . 5567 1 56 . ASN . 5567 1 57 . MET . 5567 1 58 . SER . 5567 1 59 . ALA . 5567 1 60 . MET . 5567 1 61 . ALA . 5567 1 62 . LEU . 5567 1 63 . GLY . 5567 1 64 . PHE . 5567 1 65 . GLY . 5567 1 66 . ALA . 5567 1 67 . ILE . 5567 1 68 . PHE . 5567 1 69 . ASN . 5567 1 70 . HIS . 5567 1 71 . SER . 5567 1 72 . LYS . 5567 1 73 . ASP . 5567 1 74 . PRO . 5567 1 75 . ASN . 5567 1 76 . ALA . 5567 1 77 . ARG . 5567 1 78 . HIS . 5567 1 79 . GLU . 5567 1 80 . LEU . 5567 1 81 . THR . 5567 1 82 . ALA . 5567 1 83 . GLY . 5567 1 84 . LEU . 5567 1 85 . LYS . 5567 1 86 . ARG . 5567 1 87 . MET . 5567 1 88 . ARG . 5567 1 89 . ILE . 5567 1 90 . PHE . 5567 1 91 . THR . 5567 1 92 . ILE . 5567 1 93 . LYS . 5567 1 94 . PRO . 5567 1 95 . ILE . 5567 1 96 . ALA . 5567 1 97 . ILE . 5567 1 98 . GLY . 5567 1 99 . GLU . 5567 1 100 . GLU . 5567 1 101 . ILE . 5567 1 102 . THR . 5567 1 103 . ILE . 5567 1 104 . SER . 5567 1 105 . TYR . 5567 1 106 . GLY . 5567 1 107 . ASP . 5567 1 108 . ASP . 5567 1 109 . TYR . 5567 1 110 . TRP . 5567 1 111 . LEU . 5567 1 112 . SER . 5567 1 113 . ARG . 5567 1 114 . PRO . 5567 1 115 . ARG . 5567 1 116 . LEU . 5567 1 117 . THR . 5567 1 118 . GLN . 5567 1 119 . ASN . 5567 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 . MET 1 1 5567 1 . PHE 2 2 5567 1 . ASN 3 3 5567 1 . ASP 4 4 5567 1 . ARG 5 5 5567 1 . VAL 6 6 5567 1 . ILE 7 7 5567 1 . VAL 8 8 5567 1 . LYS 9 9 5567 1 . LYS 10 10 5567 1 . SER 11 11 5567 1 . PRO 12 12 5567 1 . LEU 13 13 5567 1 . GLY 14 14 5567 1 . GLY 15 15 5567 1 . TYR 16 16 5567 1 . GLY 17 17 5567 1 . VAL 18 18 5567 1 . PHE 19 19 5567 1 . ALA 20 20 5567 1 . ARG 21 21 5567 1 . LYS 22 22 5567 1 . SER 23 23 5567 1 . PHE 24 24 5567 1 . GLU 25 25 5567 1 . LYS 26 26 5567 1 . GLY 27 27 5567 1 . GLU 28 28 5567 1 . LEU 29 29 5567 1 . VAL 30 30 5567 1 . GLU 31 31 5567 1 . GLU 32 32 5567 1 . CYS 33 33 5567 1 . LEU 34 34 5567 1 . CYS 35 35 5567 1 . ILE 36 36 5567 1 . VAL 37 37 5567 1 . ARG 38 38 5567 1 . HIS 39 39 5567 1 . ASN 40 40 5567 1 . ASP 41 41 5567 1 . ASP 42 42 5567 1 . TRP 43 43 5567 1 . GLY 44 44 5567 1 . THR 45 45 5567 1 . ALA 46 46 5567 1 . LEU 47 47 5567 1 . GLU 48 48 5567 1 . ASP 49 49 5567 1 . TYR 50 50 5567 1 . LEU 51 51 5567 1 . PHE 52 52 5567 1 . SER 53 53 5567 1 . ARG 54 54 5567 1 . LYS 55 55 5567 1 . ASN 56 56 5567 1 . MET 57 57 5567 1 . SER 58 58 5567 1 . ALA 59 59 5567 1 . MET 60 60 5567 1 . ALA 61 61 5567 1 . LEU 62 62 5567 1 . GLY 63 63 5567 1 . PHE 64 64 5567 1 . GLY 65 65 5567 1 . ALA 66 66 5567 1 . ILE 67 67 5567 1 . PHE 68 68 5567 1 . ASN 69 69 5567 1 . HIS 70 70 5567 1 . SER 71 71 5567 1 . LYS 72 72 5567 1 . ASP 73 73 5567 1 . PRO 74 74 5567 1 . ASN 75 75 5567 1 . ALA 76 76 5567 1 . ARG 77 77 5567 1 . HIS 78 78 5567 1 . GLU 79 79 5567 1 . LEU 80 80 5567 1 . THR 81 81 5567 1 . ALA 82 82 5567 1 . GLY 83 83 5567 1 . LEU 84 84 5567 1 . LYS 85 85 5567 1 . ARG 86 86 5567 1 . MET 87 87 5567 1 . ARG 88 88 5567 1 . ILE 89 89 5567 1 . PHE 90 90 5567 1 . THR 91 91 5567 1 . ILE 92 92 5567 1 . LYS 93 93 5567 1 . PRO 94 94 5567 1 . ILE 95 95 5567 1 . ALA 96 96 5567 1 . ILE 97 97 5567 1 . GLY 98 98 5567 1 . GLU 99 99 5567 1 . GLU 100 100 5567 1 . ILE 101 101 5567 1 . THR 102 102 5567 1 . ILE 103 103 5567 1 . SER 104 104 5567 1 . TYR 105 105 5567 1 . GLY 106 106 5567 1 . ASP 107 107 5567 1 . ASP 108 108 5567 1 . TYR 109 109 5567 1 . TRP 110 110 5567 1 . LEU 111 111 5567 1 . SER 112 112 5567 1 . ARG 113 113 5567 1 . PRO 114 114 5567 1 . ARG 115 115 5567 1 . LEU 116 116 5567 1 . THR 117 117 5567 1 . GLN 118 118 5567 1 . ASN 119 119 5567 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 5567 _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 $vSET . 74790 organism . 'Paramecium bursaria' 'Paramecium bursaria' . . Eukaryota . Paramecium bursaria . . . . . . . . . . . . . . . . . . . . . 5567 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 5567 _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 $vSET . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5567 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5567 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Histone H3 Lysine Methyltransferase from Paramecium Bursaria Chlorella Virus 1' . . . 1 $vSET . . 0.5 . . mM . . . . 5567 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5567 _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 pH 6.5 0.1 n/a 5567 1 temperature 310 1 K 5567 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5567 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 5567 _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 unknown unknown . 0 'spectrometer information not available' . . 5567 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 5567 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5567 _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 H 1 TSP 'methyl proton' . . . . ppm 0.00 external indirect 1.0 external cylindrical perpendicular . . . . . . 5567 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_shift_set1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set1 _Assigned_chem_shift_list.Entry_ID 5567 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5567 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 MET HA H 1 3.79 0.03 . 1 . . . . . . . . 5567 1 2 . 1 1 1 1 MET HB2 H 1 1.81 0.03 . 1 . . . . . . . . 5567 1 3 . 1 1 1 1 MET HB3 H 1 2.57 0.03 . 1 . . . . . . . . 5567 1 4 . 1 1 1 1 MET HG2 H 1 2.50 0.03 . 1 . . . . . . . . 5567 1 5 . 1 1 1 1 MET HG3 H 1 2.73 0.03 . 1 . . . . . . . . 5567 1 6 . 1 1 1 1 MET HE1 H 1 1.77 0.03 . 1 . . . . . . . . 5567 1 7 . 1 1 1 1 MET HE2 H 1 1.77 0.03 . 1 . . . . . . . . 5567 1 8 . 1 1 1 1 MET HE3 H 1 1.77 0.03 . 1 . . . . . . . . 5567 1 9 . 1 1 1 1 MET CA C 13 55.35 0.3 . 1 . . . . . . . . 5567 1 10 . 1 1 1 1 MET CB C 13 35.63 0.3 . 1 . . . . . . . . 5567 1 11 . 1 1 1 1 MET CG C 13 32.19 0.3 . 1 . . . . . . . . 5567 1 12 . 1 1 1 1 MET CE C 13 16.16 0.3 . 1 . . . . . . . . 5567 1 13 . 1 1 2 2 PHE HA H 1 5.43 0.03 . 1 . . . . . . . . 5567 1 14 . 1 1 2 2 PHE HB2 H 1 3.48 0.03 . 1 . . . . . . . . 5567 1 15 . 1 1 2 2 PHE HB3 H 1 3.56 0.03 . 1 . . . . . . . . 5567 1 16 . 1 1 2 2 PHE HD1 H 1 7.20 0.03 . 3 . . . . . . . . 5567 1 17 . 1 1 2 2 PHE HE1 H 1 7.49 0.03 . 3 . . . . . . . . 5567 1 18 . 1 1 2 2 PHE CA C 13 55.85 0.3 . 1 . . . . . . . . 5567 1 19 . 1 1 2 2 PHE CB C 13 41.30 0.3 . 1 . . . . . . . . 5567 1 20 . 1 1 2 2 PHE CD1 C 13 132.59 0.3 . 3 . . . . . . . . 5567 1 21 . 1 1 2 2 PHE CE1 C 13 131.72 0.3 . 3 . . . . . . . . 5567 1 22 . 1 1 3 3 ASN H H 1 9.43 0.03 . 1 . . . . . . . . 5567 1 23 . 1 1 3 3 ASN HA H 1 5.15 0.03 . 1 . . . . . . . . 5567 1 24 . 1 1 3 3 ASN HB2 H 1 3.44 0.03 . 1 . . . . . . . . 5567 1 25 . 1 1 3 3 ASN HB3 H 1 3.74 0.03 . 1 . . . . . . . . 5567 1 26 . 1 1 3 3 ASN CA C 13 53.10 0.3 . 1 . . . . . . . . 5567 1 27 . 1 1 3 3 ASN CB C 13 38.84 0.3 . 1 . . . . . . . . 5567 1 28 . 1 1 3 3 ASN N N 15 120.30 0.3 . 1 . . . . . . . . 5567 1 29 . 1 1 4 4 ASP H H 1 9.17 0.03 . 1 . . . . . . . . 5567 1 30 . 1 1 4 4 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 5567 1 31 . 1 1 4 4 ASP HB2 H 1 2.95 0.03 . 1 . . . . . . . . 5567 1 32 . 1 1 4 4 ASP HB3 H 1 3.41 0.03 . 1 . . . . . . . . 5567 1 33 . 1 1 4 4 ASP CA C 13 56.59 0.3 . 1 . . . . . . . . 5567 1 34 . 1 1 4 4 ASP CB C 13 40.81 0.3 . 1 . . . . . . . . 5567 1 35 . 1 1 4 4 ASP N N 15 116.14 0.3 . 1 . . . . . . . . 5567 1 36 . 1 1 5 5 ARG H H 1 9.03 0.03 . 1 . . . . . . . . 5567 1 37 . 1 1 5 5 ARG HA H 1 4.40 0.03 . 1 . . . . . . . . 5567 1 38 . 1 1 5 5 ARG HB3 H 1 2.30 0.03 . 1 . . . . . . . . 5567 1 39 . 1 1 5 5 ARG HG3 H 1 2.00 0.03 . 1 . . . . . . . . 5567 1 40 . 1 1 5 5 ARG HD3 H 1 3.52 0.03 . 1 . . . . . . . . 5567 1 41 . 1 1 5 5 ARG CA C 13 58.56 0.3 . 1 . . . . . . . . 5567 1 42 . 1 1 5 5 ARG CB C 13 33.41 0.3 . 1 . . . . . . . . 5567 1 43 . 1 1 5 5 ARG CG C 13 28.20 0.3 . 1 . . . . . . . . 5567 1 44 . 1 1 5 5 ARG CD C 13 43.52 0.3 . 1 . . . . . . . . 5567 1 45 . 1 1 5 5 ARG N N 15 117.53 0.3 . 1 . . . . . . . . 5567 1 46 . 1 1 6 6 VAL H H 1 8.65 0.03 . 1 . . . . . . . . 5567 1 47 . 1 1 6 6 VAL HA H 1 5.66 0.03 . 1 . . . . . . . . 5567 1 48 . 1 1 6 6 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 5567 1 49 . 1 1 6 6 VAL HG11 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 50 . 1 1 6 6 VAL HG12 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 51 . 1 1 6 6 VAL HG13 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 52 . 1 1 6 6 VAL HG21 H 1 0.51 0.03 . 1 . . . . . . . . 5567 1 53 . 1 1 6 6 VAL HG22 H 1 0.51 0.03 . 1 . . . . . . . . 5567 1 54 . 1 1 6 6 VAL HG23 H 1 0.51 0.03 . 1 . . . . . . . . 5567 1 55 . 1 1 6 6 VAL CA C 13 59.15 0.3 . 1 . . . . . . . . 5567 1 56 . 1 1 6 6 VAL CB C 13 37.11 0.3 . 1 . . . . . . . . 5567 1 57 . 1 1 6 6 VAL CG1 C 13 22.82 0.3 . 1 . . . . . . . . 5567 1 58 . 1 1 6 6 VAL CG2 C 13 18.37 0.3 . 1 . . . . . . . . 5567 1 59 . 1 1 6 6 VAL N N 15 113.01 0.3 . 1 . . . . . . . . 5567 1 60 . 1 1 7 7 ILE H H 1 9.07 0.03 . 1 . . . . . . . . 5567 1 61 . 1 1 7 7 ILE HA H 1 4.94 0.03 . 1 . . . . . . . . 5567 1 62 . 1 1 7 7 ILE HB H 1 1.71 0.03 . 1 . . . . . . . . 5567 1 63 . 1 1 7 7 ILE HG13 H 1 1.08 0.03 . 1 . . . . . . . . 5567 1 64 . 1 1 7 7 ILE HG21 H 1 0.98 0.03 . 1 . . . . . . . . 5567 1 65 . 1 1 7 7 ILE HG22 H 1 0.98 0.03 . 1 . . . . . . . . 5567 1 66 . 1 1 7 7 ILE HG23 H 1 0.98 0.03 . 1 . . . . . . . . 5567 1 67 . 1 1 7 7 ILE HD11 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 68 . 1 1 7 7 ILE HD12 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 69 . 1 1 7 7 ILE HD13 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 70 . 1 1 7 7 ILE CA C 13 59.55 0.3 . 1 . . . . . . . . 5567 1 71 . 1 1 7 7 ILE CB C 13 43.28 0.3 . 1 . . . . . . . . 5567 1 72 . 1 1 7 7 ILE CG1 C 13 29.22 0.3 . 1 . . . . . . . . 5567 1 73 . 1 1 7 7 ILE CG2 C 13 16.41 0.3 . 1 . . . . . . . . 5567 1 74 . 1 1 7 7 ILE CD1 C 13 14.63 0.3 . 1 . . . . . . . . 5567 1 75 . 1 1 7 7 ILE N N 15 116.48 0.3 . 1 . . . . . . . . 5567 1 76 . 1 1 8 8 VAL H H 1 8.55 0.03 . 1 . . . . . . . . 5567 1 77 . 1 1 8 8 VAL HA H 1 5.07 0.03 . 1 . . . . . . . . 5567 1 78 . 1 1 8 8 VAL HB H 1 2.08 0.03 . 1 . . . . . . . . 5567 1 79 . 1 1 8 8 VAL HG11 H 1 0.92 0.03 . 1 . . . . . . . . 5567 1 80 . 1 1 8 8 VAL HG12 H 1 0.92 0.03 . 1 . . . . . . . . 5567 1 81 . 1 1 8 8 VAL HG13 H 1 0.92 0.03 . 1 . . . . . . . . 5567 1 82 . 1 1 8 8 VAL HG21 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 83 . 1 1 8 8 VAL HG22 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 84 . 1 1 8 8 VAL HG23 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 85 . 1 1 8 8 VAL CA C 13 61.52 0.3 . 1 . . . . . . . . 5567 1 86 . 1 1 8 8 VAL CB C 13 31.94 0.3 . 1 . . . . . . . . 5567 1 87 . 1 1 8 8 VAL CG1 C 13 22.07 0.3 . 1 . . . . . . . . 5567 1 88 . 1 1 8 8 VAL CG2 C 13 22.37 0.3 . 1 . . . . . . . . 5567 1 89 . 1 1 8 8 VAL N N 15 127.25 0.3 . 1 . . . . . . . . 5567 1 90 . 1 1 9 9 LYS H H 1 8.56 0.03 . 1 . . . . . . . . 5567 1 91 . 1 1 9 9 LYS HA H 1 4.88 0.03 . 1 . . . . . . . . 5567 1 92 . 1 1 9 9 LYS HB2 H 1 1.54 0.03 . 1 . . . . . . . . 5567 1 93 . 1 1 9 9 LYS HB3 H 1 1.83 0.03 . 1 . . . . . . . . 5567 1 94 . 1 1 9 9 LYS HG2 H 1 0.98 0.03 . 1 . . . . . . . . 5567 1 95 . 1 1 9 9 LYS HG3 H 1 1.18 0.03 . 1 . . . . . . . . 5567 1 96 . 1 1 9 9 LYS HD3 H 1 1.22 0.03 . 1 . . . . . . . . 5567 1 97 . 1 1 9 9 LYS HE2 H 1 2.12 0.03 . 1 . . . . . . . . 5567 1 98 . 1 1 9 9 LYS HE3 H 1 2.26 0.03 . 1 . . . . . . . . 5567 1 99 . 1 1 9 9 LYS CA C 13 54.62 0.3 . 1 . . . . . . . . 5567 1 100 . 1 1 9 9 LYS CB C 13 35.63 0.3 . 1 . . . . . . . . 5567 1 101 . 1 1 9 9 LYS CG C 13 24.29 0.3 . 1 . . . . . . . . 5567 1 102 . 1 1 9 9 LYS CD C 13 28.98 0.3 . 1 . . . . . . . . 5567 1 103 . 1 1 9 9 LYS CE C 13 41.06 0.3 . 1 . . . . . . . . 5567 1 104 . 1 1 9 9 LYS N N 15 122.56 0.3 . 1 . . . . . . . . 5567 1 105 . 1 1 10 10 LYS H H 1 8.35 0.03 . 1 . . . . . . . . 5567 1 106 . 1 1 10 10 LYS HA H 1 4.44 0.03 . 1 . . . . . . . . 5567 1 107 . 1 1 10 10 LYS HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5567 1 108 . 1 1 10 10 LYS HB3 H 1 2.04 0.03 . 1 . . . . . . . . 5567 1 109 . 1 1 10 10 LYS HG3 H 1 1.63 0.03 . 1 . . . . . . . . 5567 1 110 . 1 1 10 10 LYS HD3 H 1 1.81 0.03 . 1 . . . . . . . . 5567 1 111 . 1 1 10 10 LYS HE2 H 1 3.05 0.03 . 1 . . . . . . . . 5567 1 112 . 1 1 10 10 LYS HE3 H 1 3.05 0.03 . 1 . . . . . . . . 5567 1 113 . 1 1 10 10 LYS CA C 13 57.57 0.3 . 1 . . . . . . . . 5567 1 114 . 1 1 10 10 LYS CB C 13 32.43 0.3 . 1 . . . . . . . . 5567 1 115 . 1 1 10 10 LYS CG C 13 25.03 0.3 . 1 . . . . . . . . 5567 1 116 . 1 1 10 10 LYS CD C 13 29.22 0.3 . 1 . . . . . . . . 5567 1 117 . 1 1 10 10 LYS CE C 13 41.55 0.3 . 1 . . . . . . . . 5567 1 118 . 1 1 10 10 LYS N N 15 121.17 0.3 . 1 . . . . . . . . 5567 1 119 . 1 1 11 11 SER H H 1 8.49 0.03 . 1 . . . . . . . . 5567 1 120 . 1 1 11 11 SER HA H 1 5.35 0.03 . 1 . . . . . . . . 5567 1 121 . 1 1 11 11 SER HB3 H 1 3.94 0.03 . 1 . . . . . . . . 5567 1 122 . 1 1 11 11 SER CA C 13 53.47 0.3 . 1 . . . . . . . . 5567 1 123 . 1 1 11 11 SER CB C 13 64.70 0.3 . 1 . . . . . . . . 5567 1 124 . 1 1 11 11 SER N N 15 115.62 0.3 . 1 . . . . . . . . 5567 1 125 . 1 1 12 12 PRO HA H 1 4.64 0.03 . 1 . . . . . . . . 5567 1 126 . 1 1 12 12 PRO HB3 H 1 2.12 0.03 . 1 . . . . . . . . 5567 1 127 . 1 1 12 12 PRO CA C 13 63.80 0.3 . 1 . . . . . . . . 5567 1 128 . 1 1 12 12 PRO CB C 13 31.69 0.3 . 1 . . . . . . . . 5567 1 129 . 1 1 13 13 LEU H H 1 9.00 0.03 . 1 . . . . . . . . 5567 1 130 . 1 1 13 13 LEU HA H 1 4.32 0.03 . 1 . . . . . . . . 5567 1 131 . 1 1 13 13 LEU HB2 H 1 1.67 0.03 . 1 . . . . . . . . 5567 1 132 . 1 1 13 13 LEU HB3 H 1 1.94 0.03 . 1 . . . . . . . . 5567 1 133 . 1 1 13 13 LEU HD11 H 1 0.94 0.03 . 1 . . . . . . . . 5567 1 134 . 1 1 13 13 LEU HD12 H 1 0.94 0.03 . 1 . . . . . . . . 5567 1 135 . 1 1 13 13 LEU HD13 H 1 0.94 0.03 . 1 . . . . . . . . 5567 1 136 . 1 1 13 13 LEU HD21 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 137 . 1 1 13 13 LEU HD22 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 138 . 1 1 13 13 LEU HD23 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 139 . 1 1 13 13 LEU CA C 13 55.60 0.3 . 1 . . . . . . . . 5567 1 140 . 1 1 13 13 LEU CB C 13 41.06 0.3 . 1 . . . . . . . . 5567 1 141 . 1 1 13 13 LEU CD1 C 13 22.30 0.3 . 1 . . . . . . . . 5567 1 142 . 1 1 13 13 LEU CD2 C 13 25.03 0.3 . 1 . . . . . . . . 5567 1 143 . 1 1 13 13 LEU N N 15 119.44 0.3 . 1 . . . . . . . . 5567 1 144 . 1 1 14 14 GLY H H 1 7.50 0.03 . 1 . . . . . . . . 5567 1 145 . 1 1 14 14 GLY HA2 H 1 3.66 0.03 . 1 . . . . . . . . 5567 1 146 . 1 1 14 14 GLY HA3 H 1 4.54 0.03 . 1 . . . . . . . . 5567 1 147 . 1 1 14 14 GLY CA C 13 44.29 0.3 . 1 . . . . . . . . 5567 1 148 . 1 1 14 14 GLY N N 15 108.98 0.3 . 1 . . . . . . . . 5567 1 149 . 1 1 15 15 GLY H H 1 8.36 0.03 . 1 . . . . . . . . 5567 1 150 . 1 1 15 15 GLY HA2 H 1 3.85 0.03 . 1 . . . . . . . . 5567 1 151 . 1 1 15 15 GLY HA3 H 1 4.20 0.03 . 1 . . . . . . . . 5567 1 152 . 1 1 15 15 GLY CA C 13 45.99 0.3 . 1 . . . . . . . . 5567 1 153 . 1 1 15 15 GLY N N 15 112.67 0.3 . 1 . . . . . . . . 5567 1 154 . 1 1 16 16 TYR H H 1 8.54 0.03 . 1 . . . . . . . . 5567 1 155 . 1 1 16 16 TYR HA H 1 4.86 0.03 . 1 . . . . . . . . 5567 1 156 . 1 1 16 16 TYR HB3 H 1 2.70 0.03 . 1 . . . . . . . . 5567 1 157 . 1 1 16 16 TYR HD1 H 1 6.97 0.03 . 3 . . . . . . . . 5567 1 158 . 1 1 16 16 TYR HE1 H 1 6.90 0.03 . 3 . . . . . . . . 5567 1 159 . 1 1 16 16 TYR CA C 13 58.31 0.3 . 1 . . . . . . . . 5567 1 160 . 1 1 16 16 TYR CB C 13 41.06 0.3 . 1 . . . . . . . . 5567 1 161 . 1 1 16 16 TYR CE1 C 13 118.14 0.3 . 3 . . . . . . . . 5567 1 162 . 1 1 16 16 TYR N N 15 122.56 0.3 . 1 . . . . . . . . 5567 1 163 . 1 1 17 17 GLY H H 1 9.07 0.03 . 1 . . . . . . . . 5567 1 164 . 1 1 17 17 GLY HA2 H 1 3.77 0.03 . 1 . . . . . . . . 5567 1 165 . 1 1 17 17 GLY HA3 H 1 4.70 0.03 . 1 . . . . . . . . 5567 1 166 . 1 1 17 17 GLY CA C 13 43.52 0.3 . 1 . . . . . . . . 5567 1 167 . 1 1 17 17 GLY N N 15 128.64 0.3 . 1 . . . . . . . . 5567 1 168 . 1 1 18 18 VAL H H 1 8.76 0.03 . 1 . . . . . . . . 5567 1 169 . 1 1 18 18 VAL HA H 1 4.25 0.03 . 1 . . . . . . . . 5567 1 170 . 1 1 18 18 VAL HB H 1 1.39 0.03 . 1 . . . . . . . . 5567 1 171 . 1 1 18 18 VAL HG11 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 172 . 1 1 18 18 VAL HG12 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 173 . 1 1 18 18 VAL HG13 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 174 . 1 1 18 18 VAL HG21 H 1 -0.24 0.03 . 1 . . . . . . . . 5567 1 175 . 1 1 18 18 VAL HG22 H 1 -0.24 0.03 . 1 . . . . . . . . 5567 1 176 . 1 1 18 18 VAL HG23 H 1 -0.24 0.03 . 1 . . . . . . . . 5567 1 177 . 1 1 18 18 VAL CA C 13 61.76 0.3 . 1 . . . . . . . . 5567 1 178 . 1 1 18 18 VAL CB C 13 32.92 0.3 . 1 . . . . . . . . 5567 1 179 . 1 1 18 18 VAL CG1 C 13 22.36 0.3 . 1 . . . . . . . . 5567 1 180 . 1 1 18 18 VAL CG2 C 13 20.35 0.3 . 1 . . . . . . . . 5567 1 181 . 1 1 18 18 VAL N N 15 119.61 0.3 . 1 . . . . . . . . 5567 1 182 . 1 1 19 19 PHE H H 1 9.40 0.03 . 1 . . . . . . . . 5567 1 183 . 1 1 19 19 PHE HA H 1 5.13 0.03 . 1 . . . . . . . . 5567 1 184 . 1 1 19 19 PHE HB3 H 1 2.56 0.03 . 1 . . . . . . . . 5567 1 185 . 1 1 19 19 PHE HD1 H 1 7.29 0.03 . 3 . . . . . . . . 5567 1 186 . 1 1 19 19 PHE CA C 13 55.85 0.3 . 1 . . . . . . . . 5567 1 187 . 1 1 19 19 PHE CB C 13 41.79 0.3 . 1 . . . . . . . . 5567 1 188 . 1 1 19 19 PHE CD1 C 13 132.37 0.3 . 3 . . . . . . . . 5567 1 189 . 1 1 19 19 PHE N N 15 124.64 0.3 . 1 . . . . . . . . 5567 1 190 . 1 1 20 20 ALA H H 1 8.81 0.03 . 1 . . . . . . . . 5567 1 191 . 1 1 20 20 ALA HA H 1 4.68 0.03 . 1 . . . . . . . . 5567 1 192 . 1 1 20 20 ALA HB1 H 1 2.12 0.03 . 1 . . . . . . . . 5567 1 193 . 1 1 20 20 ALA HB2 H 1 2.12 0.03 . 1 . . . . . . . . 5567 1 194 . 1 1 20 20 ALA HB3 H 1 2.12 0.03 . 1 . . . . . . . . 5567 1 195 . 1 1 20 20 ALA CA C 13 54.12 0.3 . 1 . . . . . . . . 5567 1 196 . 1 1 20 20 ALA CB C 13 19.61 0.3 . 1 . . . . . . . . 5567 1 197 . 1 1 20 20 ALA N N 15 123.08 0.3 . 1 . . . . . . . . 5567 1 198 . 1 1 21 21 ARG H H 1 9.65 0.03 . 1 . . . . . . . . 5567 1 199 . 1 1 21 21 ARG HA H 1 4.48 0.03 . 1 . . . . . . . . 5567 1 200 . 1 1 21 21 ARG HG2 H 1 1.61 0.03 . 1 . . . . . . . . 5567 1 201 . 1 1 21 21 ARG HG3 H 1 1.75 0.03 . 1 . . . . . . . . 5567 1 202 . 1 1 21 21 ARG HD2 H 1 3.20 0.03 . 1 . . . . . . . . 5567 1 203 . 1 1 21 21 ARG HD3 H 1 3.34 0.03 . 1 . . . . . . . . 5567 1 204 . 1 1 21 21 ARG CA C 13 56.59 0.3 . 1 . . . . . . . . 5567 1 205 . 1 1 21 21 ARG CB C 13 31.95 0.3 . 1 . . . . . . . . 5567 1 206 . 1 1 21 21 ARG CG C 13 27.01 0.3 . 1 . . . . . . . . 5567 1 207 . 1 1 21 21 ARG CD C 13 43.77 0.3 . 1 . . . . . . . . 5567 1 208 . 1 1 21 21 ARG N N 15 125.51 0.3 . 1 . . . . . . . . 5567 1 209 . 1 1 22 22 LYS H H 1 7.68 0.03 . 1 . . . . . . . . 5567 1 210 . 1 1 22 22 LYS HA H 1 4.58 0.03 . 1 . . . . . . . . 5567 1 211 . 1 1 22 22 LYS HB2 H 1 1.69 0.03 . 1 . . . . . . . . 5567 1 212 . 1 1 22 22 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 5567 1 213 . 1 1 22 22 LYS HE3 H 1 3.20 0.03 . 1 . . . . . . . . 5567 1 214 . 1 1 22 22 LYS CA C 13 53.38 0.3 . 1 . . . . . . . . 5567 1 215 . 1 1 22 22 LYS CB C 13 34.89 0.3 . 1 . . . . . . . . 5567 1 216 . 1 1 22 22 LYS N N 15 116.83 0.3 . 1 . . . . . . . . 5567 1 217 . 1 1 23 23 SER H H 1 8.11 0.03 . 1 . . . . . . . . 5567 1 218 . 1 1 23 23 SER HA H 1 4.92 0.03 . 1 . . . . . . . . 5567 1 219 . 1 1 23 23 SER HB3 H 1 4.03 0.03 . 1 . . . . . . . . 5567 1 220 . 1 1 23 23 SER CA C 13 57.82 0.3 . 1 . . . . . . . . 5567 1 221 . 1 1 23 23 SER CB C 13 63.98 0.3 . 1 . . . . . . . . 5567 1 222 . 1 1 23 23 SER N N 15 112.00 0.3 . 1 . . . . . . . . 5567 1 223 . 1 1 24 24 PHE H H 1 9.46 0.03 . 1 . . . . . . . . 5567 1 224 . 1 1 24 24 PHE HA H 1 5.05 0.03 . 1 . . . . . . . . 5567 1 225 . 1 1 24 24 PHE HB2 H 1 2.91 0.03 . 1 . . . . . . . . 5567 1 226 . 1 1 24 24 PHE HB3 H 1 3.26 0.03 . 1 . . . . . . . . 5567 1 227 . 1 1 24 24 PHE HD1 H 1 7.25 0.03 . 3 . . . . . . . . 5567 1 228 . 1 1 24 24 PHE HE1 H 1 7.51 0.03 . 3 . . . . . . . . 5567 1 229 . 1 1 24 24 PHE CA C 13 57.33 0.3 . 1 . . . . . . . . 5567 1 230 . 1 1 24 24 PHE CB C 13 43.77 0.3 . 1 . . . . . . . . 5567 1 231 . 1 1 24 24 PHE CD1 C 13 132.40 0.3 . 3 . . . . . . . . 5567 1 232 . 1 1 24 24 PHE N N 15 121.17 0.3 . 1 . . . . . . . . 5567 1 233 . 1 1 25 25 GLU H H 1 9.18 0.03 . 1 . . . . . . . . 5567 1 234 . 1 1 25 25 GLU HA H 1 4.58 0.03 . 1 . . . . . . . . 5567 1 235 . 1 1 25 25 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 5567 1 236 . 1 1 25 25 GLU HB3 H 1 2.28 0.03 . 1 . . . . . . . . 5567 1 237 . 1 1 25 25 GLU HG2 H 1 2.42 0.03 . 1 . . . . . . . . 5567 1 238 . 1 1 25 25 GLU HG3 H 1 2.50 0.03 . 1 . . . . . . . . 5567 1 239 . 1 1 25 25 GLU CA C 13 54.37 0.3 . 1 . . . . . . . . 5567 1 240 . 1 1 25 25 GLU CB C 13 31.20 0.3 . 1 . . . . . . . . 5567 1 241 . 1 1 25 25 GLU CG C 13 36.37 0.3 . 1 . . . . . . . . 5567 1 242 . 1 1 25 25 GLU N N 15 122.39 0.3 . 1 . . . . . . . . 5567 1 243 . 1 1 26 26 LYS H H 1 8.93 0.03 . 1 . . . . . . . . 5567 1 244 . 1 1 26 26 LYS HA H 1 3.62 0.03 . 1 . . . . . . . . 5567 1 245 . 1 1 26 26 LYS HB2 H 1 1.47 0.03 . 1 . . . . . . . . 5567 1 246 . 1 1 26 26 LYS HB3 H 1 1.77 0.03 . 1 . . . . . . . . 5567 1 247 . 1 1 26 26 LYS HG2 H 1 1.06 0.03 . 1 . . . . . . . . 5567 1 248 . 1 1 26 26 LYS HG3 H 1 1.22 0.03 . 1 . . . . . . . . 5567 1 249 . 1 1 26 26 LYS HD3 H 1 1.75 0.03 . 1 . . . . . . . . 5567 1 250 . 1 1 26 26 LYS HE3 H 1 3.05 0.03 . 1 . . . . . . . . 5567 1 251 . 1 1 26 26 LYS CA C 13 58.31 0.3 . 1 . . . . . . . . 5567 1 252 . 1 1 26 26 LYS CB C 13 32.92 0.3 . 1 . . . . . . . . 5567 1 253 . 1 1 26 26 LYS CG C 13 25.03 0.3 . 1 . . . . . . . . 5567 1 254 . 1 1 26 26 LYS CD C 13 29.79 0.3 . 1 . . . . . . . . 5567 1 255 . 1 1 26 26 LYS CE C 13 41.55 0.3 . 1 . . . . . . . . 5567 1 256 . 1 1 26 26 LYS N N 15 122.39 0.3 . 1 . . . . . . . . 5567 1 257 . 1 1 27 27 GLY H H 1 7.92 0.03 . 1 . . . . . . . . 5567 1 258 . 1 1 27 27 GLY HA3 H 1 4.23 0.03 . 1 . . . . . . . . 5567 1 259 . 1 1 27 27 GLY CA C 13 45.16 0.3 . 1 . . . . . . . . 5567 1 260 . 1 1 27 27 GLY N N 15 117.00 0.3 . 1 . . . . . . . . 5567 1 261 . 1 1 28 28 GLU H H 1 7.66 0.03 . 1 . . . . . . . . 5567 1 262 . 1 1 28 28 GLU HA H 1 4.48 0.03 . 1 . . . . . . . . 5567 1 263 . 1 1 28 28 GLU HB3 H 1 2.26 0.03 . 1 . . . . . . . . 5567 1 264 . 1 1 28 28 GLU HG2 H 1 2.36 0.03 . 1 . . . . . . . . 5567 1 265 . 1 1 28 28 GLU HG3 H 1 2.50 0.03 . 1 . . . . . . . . 5567 1 266 . 1 1 28 28 GLU CA C 13 57.00 0.3 . 1 . . . . . . . . 5567 1 267 . 1 1 28 28 GLU CB C 13 32.45 0.3 . 1 . . . . . . . . 5567 1 268 . 1 1 28 28 GLU CG C 13 37.61 0.3 . 1 . . . . . . . . 5567 1 269 . 1 1 28 28 GLU N N 15 121.00 0.3 . 1 . . . . . . . . 5567 1 270 . 1 1 29 29 LEU H H 1 8.77 0.03 . 1 . . . . . . . . 5567 1 271 . 1 1 29 29 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5567 1 272 . 1 1 29 29 LEU HB2 H 1 1.49 0.03 . 1 . . . . . . . . 5567 1 273 . 1 1 29 29 LEU HB3 H 1 1.97 0.03 . 1 . . . . . . . . 5567 1 274 . 1 1 29 29 LEU HG H 1 0.92 0.03 . 1 . . . . . . . . 5567 1 275 . 1 1 29 29 LEU HD11 H 1 0.37 0.03 . 1 . . . . . . . . 5567 1 276 . 1 1 29 29 LEU HD12 H 1 0.37 0.03 . 1 . . . . . . . . 5567 1 277 . 1 1 29 29 LEU HD13 H 1 0.37 0.03 . 1 . . . . . . . . 5567 1 278 . 1 1 29 29 LEU CA C 13 55.60 0.3 . 1 . . . . . . . . 5567 1 279 . 1 1 29 29 LEU CB C 13 42.04 0.3 . 1 . . . . . . . . 5567 1 280 . 1 1 29 29 LEU CG C 13 26.31 0.3 . 1 . . . . . . . . 5567 1 281 . 1 1 29 29 LEU CD1 C 13 23.06 0.3 . 1 . . . . . . . . 5567 1 282 . 1 1 29 29 LEU N N 15 125.34 0.3 . 1 . . . . . . . . 5567 1 283 . 1 1 30 30 VAL H H 1 9.25 0.03 . 1 . . . . . . . . 5567 1 284 . 1 1 30 30 VAL HA H 1 3.97 0.03 . 1 . . . . . . . . 5567 1 285 . 1 1 30 30 VAL HB H 1 1.47 0.03 . 1 . . . . . . . . 5567 1 286 . 1 1 30 30 VAL HG11 H 1 0.80 0.03 . 1 . . . . . . . . 5567 1 287 . 1 1 30 30 VAL HG12 H 1 0.80 0.03 . 1 . . . . . . . . 5567 1 288 . 1 1 30 30 VAL HG13 H 1 0.80 0.03 . 1 . . . . . . . . 5567 1 289 . 1 1 30 30 VAL HG21 H 1 0.43 0.03 . 1 . . . . . . . . 5567 1 290 . 1 1 30 30 VAL HG22 H 1 0.43 0.03 . 1 . . . . . . . . 5567 1 291 . 1 1 30 30 VAL HG23 H 1 0.43 0.03 . 1 . . . . . . . . 5567 1 292 . 1 1 30 30 VAL CA C 13 63.94 0.3 . 1 . . . . . . . . 5567 1 293 . 1 1 30 30 VAL CB C 13 33.41 0.3 . 1 . . . . . . . . 5567 1 294 . 1 1 30 30 VAL CG1 C 13 21.83 0.3 . 1 . . . . . . . . 5567 1 295 . 1 1 30 30 VAL CG2 C 13 21.83 0.3 . 1 . . . . . . . . 5567 1 296 . 1 1 30 30 VAL N N 15 128.12 0.3 . 1 . . . . . . . . 5567 1 297 . 1 1 31 31 GLU H H 1 7.00 0.03 . 1 . . . . . . . . 5567 1 298 . 1 1 31 31 GLU HA H 1 5.09 0.03 . 1 . . . . . . . . 5567 1 299 . 1 1 31 31 GLU HB3 H 1 2.07 0.03 . 1 . . . . . . . . 5567 1 300 . 1 1 31 31 GLU HG3 H 1 2.36 0.03 . 1 . . . . . . . . 5567 1 301 . 1 1 31 31 GLU CA C 13 54.62 0.3 . 1 . . . . . . . . 5567 1 302 . 1 1 31 31 GLU CB C 13 33.66 0.3 . 1 . . . . . . . . 5567 1 303 . 1 1 31 31 GLU N N 15 117.70 0.3 . 1 . . . . . . . . 5567 1 304 . 1 1 32 32 GLU H H 1 7.80 0.03 . 1 . . . . . . . . 5567 1 305 . 1 1 32 32 GLU HA H 1 5.29 0.03 . 1 . . . . . . . . 5567 1 306 . 1 1 32 32 GLU HB3 H 1 1.98 0.03 . 1 . . . . . . . . 5567 1 307 . 1 1 32 32 GLU HG3 H 1 2.17 0.03 . 1 . . . . . . . . 5567 1 308 . 1 1 32 32 GLU CA C 13 54.41 0.3 . 1 . . . . . . . . 5567 1 309 . 1 1 32 32 GLU CB C 13 32.33 0.3 . 1 . . . . . . . . 5567 1 310 . 1 1 32 32 GLU N N 15 127.28 0.3 . 1 . . . . . . . . 5567 1 311 . 1 1 33 33 CYS H H 1 9.40 0.03 . 1 . . . . . . . . 5567 1 312 . 1 1 33 33 CYS HA H 1 4.96 0.03 . 1 . . . . . . . . 5567 1 313 . 1 1 33 33 CYS HB2 H 1 2.63 0.03 . 1 . . . . . . . . 5567 1 314 . 1 1 33 33 CYS HB3 H 1 3.22 0.03 . 1 . . . . . . . . 5567 1 315 . 1 1 33 33 CYS CA C 13 54.54 0.3 . 1 . . . . . . . . 5567 1 316 . 1 1 33 33 CYS CB C 13 32.63 0.3 . 1 . . . . . . . . 5567 1 317 . 1 1 33 33 CYS N N 15 122.39 0.3 . 1 . . . . . . . . 5567 1 318 . 1 1 34 34 LEU H H 1 7.99 0.03 . 1 . . . . . . . . 5567 1 319 . 1 1 34 34 LEU HA H 1 4.50 0.03 . 1 . . . . . . . . 5567 1 320 . 1 1 34 34 LEU HB2 H 1 1.38 0.03 . 1 . . . . . . . . 5567 1 321 . 1 1 34 34 LEU HB3 H 1 1.47 0.03 . 1 . . . . . . . . 5567 1 322 . 1 1 34 34 LEU HG H 1 1.47 0.03 . 1 . . . . . . . . 5567 1 323 . 1 1 34 34 LEU HD11 H 1 0.49 0.03 . 1 . . . . . . . . 5567 1 324 . 1 1 34 34 LEU HD12 H 1 0.49 0.03 . 1 . . . . . . . . 5567 1 325 . 1 1 34 34 LEU HD13 H 1 0.49 0.03 . 1 . . . . . . . . 5567 1 326 . 1 1 34 34 LEU HD21 H 1 0.37 0.03 . 1 . . . . . . . . 5567 1 327 . 1 1 34 34 LEU HD22 H 1 0.37 0.03 . 1 . . . . . . . . 5567 1 328 . 1 1 34 34 LEU HD23 H 1 0.37 0.03 . 1 . . . . . . . . 5567 1 329 . 1 1 34 34 LEU CA C 13 54.86 0.3 . 1 . . . . . . . . 5567 1 330 . 1 1 34 34 LEU CB C 13 44.26 0.3 . 1 . . . . . . . . 5567 1 331 . 1 1 34 34 LEU CG C 13 26.76 0.3 . 1 . . . . . . . . 5567 1 332 . 1 1 34 34 LEU CD1 C 13 23.31 0.3 . 1 . . . . . . . . 5567 1 333 . 1 1 34 34 LEU CD2 C 13 24.96 0.3 . 1 . . . . . . . . 5567 1 334 . 1 1 34 34 LEU N N 15 121.69 0.3 . 1 . . . . . . . . 5567 1 335 . 1 1 35 35 CYS H H 1 7.64 0.03 . 1 . . . . . . . . 5567 1 336 . 1 1 35 35 CYS HA H 1 5.39 0.03 . 1 . . . . . . . . 5567 1 337 . 1 1 35 35 CYS HB2 H 1 2.46 0.03 . 1 . . . . . . . . 5567 1 338 . 1 1 35 35 CYS HB3 H 1 3.22 0.03 . 1 . . . . . . . . 5567 1 339 . 1 1 35 35 CYS CA C 13 55.35 0.3 . 1 . . . . . . . . 5567 1 340 . 1 1 35 35 CYS CB C 13 31.20 0.3 . 1 . . . . . . . . 5567 1 341 . 1 1 35 35 CYS N N 15 115.96 0.3 . 1 . . . . . . . . 5567 1 342 . 1 1 36 36 ILE H H 1 8.75 0.03 . 1 . . . . . . . . 5567 1 343 . 1 1 36 36 ILE HA H 1 4.40 0.03 . 1 . . . . . . . . 5567 1 344 . 1 1 36 36 ILE HB H 1 1.79 0.03 . 1 . . . . . . . . 5567 1 345 . 1 1 36 36 ILE HG12 H 1 1.02 0.03 . 1 . . . . . . . . 5567 1 346 . 1 1 36 36 ILE HG13 H 1 1.30 0.03 . 1 . . . . . . . . 5567 1 347 . 1 1 36 36 ILE HG21 H 1 0.94 0.03 . 1 . . . . . . . . 5567 1 348 . 1 1 36 36 ILE HG22 H 1 0.94 0.03 . 1 . . . . . . . . 5567 1 349 . 1 1 36 36 ILE HG23 H 1 0.94 0.03 . 1 . . . . . . . . 5567 1 350 . 1 1 36 36 ILE HD11 H 1 0.33 0.03 . 1 . . . . . . . . 5567 1 351 . 1 1 36 36 ILE HD12 H 1 0.33 0.03 . 1 . . . . . . . . 5567 1 352 . 1 1 36 36 ILE HD13 H 1 0.33 0.03 . 1 . . . . . . . . 5567 1 353 . 1 1 36 36 ILE CA C 13 60.78 0.3 . 1 . . . . . . . . 5567 1 354 . 1 1 36 36 ILE CB C 13 39.09 0.3 . 1 . . . . . . . . 5567 1 355 . 1 1 36 36 ILE CG1 C 13 27.05 0.3 . 1 . . . . . . . . 5567 1 356 . 1 1 36 36 ILE CG2 C 13 17.39 0.3 . 1 . . . . . . . . 5567 1 357 . 1 1 36 36 ILE CD1 C 13 12.95 0.3 . 1 . . . . . . . . 5567 1 358 . 1 1 36 36 ILE N N 15 122.56 0.3 . 1 . . . . . . . . 5567 1 359 . 1 1 37 37 VAL H H 1 8.54 0.03 . 1 . . . . . . . . 5567 1 360 . 1 1 37 37 VAL HA H 1 5.29 0.03 . 1 . . . . . . . . 5567 1 361 . 1 1 37 37 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 5567 1 362 . 1 1 37 37 VAL HG11 H 1 1.08 0.03 . 1 . . . . . . . . 5567 1 363 . 1 1 37 37 VAL HG12 H 1 1.08 0.03 . 1 . . . . . . . . 5567 1 364 . 1 1 37 37 VAL HG13 H 1 1.08 0.03 . 1 . . . . . . . . 5567 1 365 . 1 1 37 37 VAL HG21 H 1 0.96 0.03 . 1 . . . . . . . . 5567 1 366 . 1 1 37 37 VAL HG22 H 1 0.96 0.03 . 1 . . . . . . . . 5567 1 367 . 1 1 37 37 VAL HG23 H 1 0.96 0.03 . 1 . . . . . . . . 5567 1 368 . 1 1 37 37 VAL CA C 13 61.42 0.3 . 1 . . . . . . . . 5567 1 369 . 1 1 37 37 VAL CB C 13 33.88 0.3 . 1 . . . . . . . . 5567 1 370 . 1 1 37 37 VAL CG1 C 13 21.34 0.3 . 1 . . . . . . . . 5567 1 371 . 1 1 37 37 VAL CG2 C 13 22.07 0.3 . 1 . . . . . . . . 5567 1 372 . 1 1 37 37 VAL N N 15 127.77 0.3 . 1 . . . . . . . . 5567 1 373 . 1 1 38 38 ARG H H 1 9.32 0.03 . 1 . . . . . . . . 5567 1 374 . 1 1 38 38 ARG HA H 1 4.96 0.03 . 1 . . . . . . . . 5567 1 375 . 1 1 38 38 ARG HB3 H 1 2.05 0.03 . 1 . . . . . . . . 5567 1 376 . 1 1 38 38 ARG HG2 H 1 1.22 0.03 . 1 . . . . . . . . 5567 1 377 . 1 1 38 38 ARG HG3 H 1 1.43 0.03 . 1 . . . . . . . . 5567 1 378 . 1 1 38 38 ARG HD2 H 1 3.30 0.03 . 1 . . . . . . . . 5567 1 379 . 1 1 38 38 ARG HD3 H 1 3.54 0.03 . 1 . . . . . . . . 5567 1 380 . 1 1 38 38 ARG CA C 13 53.40 0.3 . 1 . . . . . . . . 5567 1 381 . 1 1 38 38 ARG CB C 13 34.16 0.3 . 1 . . . . . . . . 5567 1 382 . 1 1 38 38 ARG CG C 13 27.75 0.3 . 1 . . . . . . . . 5567 1 383 . 1 1 38 38 ARG CD C 13 42.54 0.3 . 1 . . . . . . . . 5567 1 384 . 1 1 38 38 ARG N N 15 126.55 0.3 . 1 . . . . . . . . 5567 1 385 . 1 1 39 39 HIS H H 1 9.08 0.03 . 1 . . . . . . . . 5567 1 386 . 1 1 39 39 HIS HA H 1 4.66 0.03 . 1 . . . . . . . . 5567 1 387 . 1 1 39 39 HIS CA C 13 58.46 0.3 . 1 . . . . . . . . 5567 1 388 . 1 1 39 39 HIS CB C 13 30.82 0.3 . 1 . . . . . . . . 5567 1 389 . 1 1 39 39 HIS N N 15 124.64 0.3 . 1 . . . . . . . . 5567 1 390 . 1 1 40 40 ASN H H 1 8.31 0.03 . 1 . . . . . . . . 5567 1 391 . 1 1 40 40 ASN HA H 1 4.67 0.03 . 1 . . . . . . . . 5567 1 392 . 1 1 40 40 ASN HB2 H 1 2.65 0.03 . 1 . . . . . . . . 5567 1 393 . 1 1 40 40 ASN HB3 H 1 2.87 0.03 . 1 . . . . . . . . 5567 1 394 . 1 1 40 40 ASN CA C 13 56.83 0.3 . 1 . . . . . . . . 5567 1 395 . 1 1 40 40 ASN CB C 13 38.25 0.3 . 1 . . . . . . . . 5567 1 396 . 1 1 40 40 ASN N N 15 123.78 0.3 . 1 . . . . . . . . 5567 1 397 . 1 1 41 41 ASP H H 1 10.65 0.03 . 1 . . . . . . . . 5567 1 398 . 1 1 41 41 ASP HA H 1 4.64 0.03 . 1 . . . . . . . . 5567 1 399 . 1 1 41 41 ASP HB3 H 1 2.84 0.03 . 1 . . . . . . . . 5567 1 400 . 1 1 41 41 ASP CA C 13 56.31 0.3 . 1 . . . . . . . . 5567 1 401 . 1 1 41 41 ASP CB C 13 40.16 0.3 . 1 . . . . . . . . 5567 1 402 . 1 1 41 41 ASP N N 15 120.65 0.3 . 1 . . . . . . . . 5567 1 403 . 1 1 42 42 ASP H H 1 8.38 0.03 . 1 . . . . . . . . 5567 1 404 . 1 1 42 42 ASP HA H 1 4.64 0.03 . 1 . . . . . . . . 5567 1 405 . 1 1 42 42 ASP HB2 H 1 2.36 0.03 . 1 . . . . . . . . 5567 1 406 . 1 1 42 42 ASP HB3 H 1 2.50 0.03 . 1 . . . . . . . . 5567 1 407 . 1 1 42 42 ASP CA C 13 55.35 0.3 . 1 . . . . . . . . 5567 1 408 . 1 1 42 42 ASP CB C 13 40.30 0.3 . 1 . . . . . . . . 5567 1 409 . 1 1 42 42 ASP N N 15 118.92 0.3 . 1 . . . . . . . . 5567 1 410 . 1 1 43 43 TRP H H 1 7.37 0.03 . 1 . . . . . . . . 5567 1 411 . 1 1 43 43 TRP HA H 1 4.98 0.03 . 1 . . . . . . . . 5567 1 412 . 1 1 43 43 TRP HB2 H 1 3.15 0.03 . 1 . . . . . . . . 5567 1 413 . 1 1 43 43 TRP HB3 H 1 3.52 0.03 . 1 . . . . . . . . 5567 1 414 . 1 1 43 43 TRP HD1 H 1 8.26 0.03 . 1 . . . . . . . . 5567 1 415 . 1 1 43 43 TRP HE3 H 1 7.01 0.03 . 1 . . . . . . . . 5567 1 416 . 1 1 43 43 TRP HZ2 H 1 6.89 0.03 . 1 . . . . . . . . 5567 1 417 . 1 1 43 43 TRP CA C 13 56.55 0.3 . 1 . . . . . . . . 5567 1 418 . 1 1 43 43 TRP CB C 13 30.46 0.3 . 1 . . . . . . . . 5567 1 419 . 1 1 43 43 TRP CD1 C 13 123.31 0.3 . 1 . . . . . . . . 5567 1 420 . 1 1 43 43 TRP CE3 C 13 121.59 0.3 . 1 . . . . . . . . 5567 1 421 . 1 1 43 43 TRP N N 15 121.00 0.3 . 1 . . . . . . . . 5567 1 422 . 1 1 44 44 GLY H H 1 9.86 0.03 . 1 . . . . . . . . 5567 1 423 . 1 1 44 44 GLY HA3 H 1 4.08 0.03 . 1 . . . . . . . . 5567 1 424 . 1 1 44 44 GLY CA C 13 43.28 0.3 . 1 . . . . . . . . 5567 1 425 . 1 1 44 44 GLY N N 15 114.58 0.3 . 1 . . . . . . . . 5567 1 426 . 1 1 45 45 THR H H 1 8.22 0.03 . 1 . . . . . . . . 5567 1 427 . 1 1 45 45 THR HA H 1 4.33 0.03 . 1 . . . . . . . . 5567 1 428 . 1 1 45 45 THR HB H 1 4.33 0.03 . 1 . . . . . . . . 5567 1 429 . 1 1 45 45 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 5567 1 430 . 1 1 45 45 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 5567 1 431 . 1 1 45 45 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 5567 1 432 . 1 1 45 45 THR CA C 13 63.00 0.3 . 1 . . . . . . . . 5567 1 433 . 1 1 45 45 THR CB C 13 69.41 0.3 . 1 . . . . . . . . 5567 1 434 . 1 1 45 45 THR CG2 C 13 22.07 0.3 . 1 . . . . . . . . 5567 1 435 . 1 1 45 45 THR N N 15 113.77 0.3 . 1 . . . . . . . . 5567 1 436 . 1 1 46 46 ALA H H 1 8.01 0.03 . 1 . . . . . . . . 5567 1 437 . 1 1 46 46 ALA HA H 1 3.56 0.03 . 1 . . . . . . . . 5567 1 438 . 1 1 46 46 ALA HB1 H 1 0.04 0.03 . 1 . . . . . . . . 5567 1 439 . 1 1 46 46 ALA HB2 H 1 0.04 0.03 . 1 . . . . . . . . 5567 1 440 . 1 1 46 46 ALA HB3 H 1 0.04 0.03 . 1 . . . . . . . . 5567 1 441 . 1 1 46 46 ALA CA C 13 55.35 0.3 . 1 . . . . . . . . 5567 1 442 . 1 1 46 46 ALA CB C 13 18.10 0.3 . 1 . . . . . . . . 5567 1 443 . 1 1 46 46 ALA N N 15 124.47 0.3 . 1 . . . . . . . . 5567 1 444 . 1 1 47 47 LEU H H 1 8.91 0.03 . 1 . . . . . . . . 5567 1 445 . 1 1 47 47 LEU HA H 1 4.80 0.03 . 1 . . . . . . . . 5567 1 446 . 1 1 47 47 LEU HB3 H 1 1.99 0.03 . 1 . . . . . . . . 5567 1 447 . 1 1 47 47 LEU HG H 1 1.74 0.03 . 1 . . . . . . . . 5567 1 448 . 1 1 47 47 LEU HD11 H 1 1.43 0.03 . 1 . . . . . . . . 5567 1 449 . 1 1 47 47 LEU HD12 H 1 1.43 0.03 . 1 . . . . . . . . 5567 1 450 . 1 1 47 47 LEU HD13 H 1 1.43 0.03 . 1 . . . . . . . . 5567 1 451 . 1 1 47 47 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 452 . 1 1 47 47 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 453 . 1 1 47 47 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 454 . 1 1 47 47 LEU CA C 13 52.89 0.3 . 1 . . . . . . . . 5567 1 455 . 1 1 47 47 LEU CB C 13 40.56 0.3 . 1 . . . . . . . . 5567 1 456 . 1 1 47 47 LEU CG C 13 26.02 0.3 . 1 . . . . . . . . 5567 1 457 . 1 1 47 47 LEU CD1 C 13 27.27 0.3 . 1 . . . . . . . . 5567 1 458 . 1 1 47 47 LEU CD2 C 13 24.29 0.3 . 1 . . . . . . . . 5567 1 459 . 1 1 47 47 LEU N N 15 113.19 0.3 . 1 . . . . . . . . 5567 1 460 . 1 1 48 48 GLU H H 1 7.41 0.03 . 1 . . . . . . . . 5567 1 461 . 1 1 48 48 GLU HA H 1 3.78 0.03 . 1 . . . . . . . . 5567 1 462 . 1 1 48 48 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 5567 1 463 . 1 1 48 48 GLU HB3 H 1 2.12 0.03 . 1 . . . . . . . . 5567 1 464 . 1 1 48 48 GLU HG2 H 1 2.26 0.03 . 1 . . . . . . . . 5567 1 465 . 1 1 48 48 GLU HG3 H 1 2.38 0.03 . 1 . . . . . . . . 5567 1 466 . 1 1 48 48 GLU CA C 13 60.04 0.3 . 1 . . . . . . . . 5567 1 467 . 1 1 48 48 GLU CB C 13 29.47 0.3 . 1 . . . . . . . . 5567 1 468 . 1 1 48 48 GLU CG C 13 35.39 0.3 . 1 . . . . . . . . 5567 1 469 . 1 1 48 48 GLU N N 15 120.83 0.3 . 1 . . . . . . . . 5567 1 470 . 1 1 49 49 ASP H H 1 8.56 0.03 . 1 . . . . . . . . 5567 1 471 . 1 1 49 49 ASP HA H 1 4.40 0.03 . 1 . . . . . . . . 5567 1 472 . 1 1 49 49 ASP HB2 H 1 2.02 0.03 . 1 . . . . . . . . 5567 1 473 . 1 1 49 49 ASP HB3 H 1 2.34 0.03 . 1 . . . . . . . . 5567 1 474 . 1 1 49 49 ASP CA C 13 55.85 0.3 . 1 . . . . . . . . 5567 1 475 . 1 1 49 49 ASP CB C 13 40.32 0.3 . 1 . . . . . . . . 5567 1 476 . 1 1 49 49 ASP N N 15 115.79 0.3 . 1 . . . . . . . . 5567 1 477 . 1 1 50 50 TYR H H 1 8.13 0.03 . 1 . . . . . . . . 5567 1 478 . 1 1 50 50 TYR HA H 1 4.60 0.03 . 1 . . . . . . . . 5567 1 479 . 1 1 50 50 TYR HB2 H 1 2.63 0.03 . 1 . . . . . . . . 5567 1 480 . 1 1 50 50 TYR HB3 H 1 3.13 0.03 . 1 . . . . . . . . 5567 1 481 . 1 1 50 50 TYR HD1 H 1 7.20 0.03 . 3 . . . . . . . . 5567 1 482 . 1 1 50 50 TYR HE1 H 1 6.93 0.03 . 3 . . . . . . . . 5567 1 483 . 1 1 50 50 TYR CA C 13 58.56 0.3 . 1 . . . . . . . . 5567 1 484 . 1 1 50 50 TYR CB C 13 41.06 0.3 . 1 . . . . . . . . 5567 1 485 . 1 1 50 50 TYR CD1 C 13 133.67 0.3 . 3 . . . . . . . . 5567 1 486 . 1 1 50 50 TYR N N 15 115.96 0.3 . 1 . . . . . . . . 5567 1 487 . 1 1 51 51 LEU H H 1 6.77 0.03 . 1 . . . . . . . . 5567 1 488 . 1 1 51 51 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5567 1 489 . 1 1 51 51 LEU HB2 H 1 0.75 0.03 . 1 . . . . . . . . 5567 1 490 . 1 1 51 51 LEU HB3 H 1 1.34 0.03 . 1 . . . . . . . . 5567 1 491 . 1 1 51 51 LEU HG H 1 0.08 0.03 . 1 . . . . . . . . 5567 1 492 . 1 1 51 51 LEU HD11 H 1 -0.38 0.03 . 1 . . . . . . . . 5567 1 493 . 1 1 51 51 LEU HD12 H 1 -0.38 0.03 . 1 . . . . . . . . 5567 1 494 . 1 1 51 51 LEU HD13 H 1 -0.38 0.03 . 1 . . . . . . . . 5567 1 495 . 1 1 51 51 LEU CA C 13 55.60 0.3 . 1 . . . . . . . . 5567 1 496 . 1 1 51 51 LEU CB C 13 43.28 0.3 . 1 . . . . . . . . 5567 1 497 . 1 1 51 51 LEU CG C 13 24.29 0.3 . 1 . . . . . . . . 5567 1 498 . 1 1 51 51 LEU CD1 C 13 21.34 0.3 . 1 . . . . . . . . 5567 1 499 . 1 1 51 51 LEU N N 15 117.01 0.3 . 1 . . . . . . . . 5567 1 500 . 1 1 52 52 PHE H H 1 8.51 0.03 . 1 . . . . . . . . 5567 1 501 . 1 1 52 52 PHE HA H 1 4.90 0.03 . 1 . . . . . . . . 5567 1 502 . 1 1 52 52 PHE HB2 H 1 2.78 0.03 . 1 . . . . . . . . 5567 1 503 . 1 1 52 52 PHE HB3 H 1 3.15 0.03 . 1 . . . . . . . . 5567 1 504 . 1 1 52 52 PHE HD1 H 1 7.23 0.03 . 3 . . . . . . . . 5567 1 505 . 1 1 52 52 PHE HE1 H 1 7.02 0.03 . 3 . . . . . . . . 5567 1 506 . 1 1 52 52 PHE CA C 13 57.08 0.3 . 1 . . . . . . . . 5567 1 507 . 1 1 52 52 PHE CB C 13 41.55 0.3 . 1 . . . . . . . . 5567 1 508 . 1 1 52 52 PHE CD1 C 13 131.94 0.3 . 3 . . . . . . . . 5567 1 509 . 1 1 52 52 PHE CE1 C 13 133.08 0.3 . 3 . . . . . . . . 5567 1 510 . 1 1 52 52 PHE N N 15 120.13 0.3 . 1 . . . . . . . . 5567 1 511 . 1 1 53 53 SER H H 1 8.76 0.03 . 1 . . . . . . . . 5567 1 512 . 1 1 53 53 SER HA H 1 5.51 0.03 . 1 . . . . . . . . 5567 1 513 . 1 1 53 53 SER HB2 H 1 3.64 0.03 . 1 . . . . . . . . 5567 1 514 . 1 1 53 53 SER HB3 H 1 3.81 0.03 . 1 . . . . . . . . 5567 1 515 . 1 1 53 53 SER CA C 13 57.57 0.3 . 1 . . . . . . . . 5567 1 516 . 1 1 53 53 SER CB C 13 66.03 0.3 . 1 . . . . . . . . 5567 1 517 . 1 1 53 53 SER N N 15 116.66 0.3 . 1 . . . . . . . . 5567 1 518 . 1 1 54 54 ARG H H 1 8.69 0.03 . 1 . . . . . . . . 5567 1 519 . 1 1 54 54 ARG HA H 1 4.45 0.03 . 1 . . . . . . . . 5567 1 520 . 1 1 54 54 ARG HD3 H 1 3.58 0.03 . 1 . . . . . . . . 5567 1 521 . 1 1 54 54 ARG CA C 13 56.10 0.3 . 1 . . . . . . . . 5567 1 522 . 1 1 54 54 ARG CB C 13 32.66 0.3 . 1 . . . . . . . . 5567 1 523 . 1 1 54 54 ARG N N 15 124.12 0.3 . 1 . . . . . . . . 5567 1 524 . 1 1 55 55 LYS H H 1 9.22 0.03 . 1 . . . . . . . . 5567 1 525 . 1 1 55 55 LYS HA H 1 4.66 0.03 . 1 . . . . . . . . 5567 1 526 . 1 1 55 55 LYS CA C 13 58.17 0.3 . 1 . . . . . . . . 5567 1 527 . 1 1 55 55 LYS CB C 13 29.61 0.3 . 1 . . . . . . . . 5567 1 528 . 1 1 55 55 LYS N N 15 125.16 0.3 . 1 . . . . . . . . 5567 1 529 . 1 1 56 56 ASN H H 1 8.38 0.03 . 1 . . . . . . . . 5567 1 530 . 1 1 56 56 ASN HA H 1 4.78 0.03 . 1 . . . . . . . . 5567 1 531 . 1 1 56 56 ASN HB2 H 1 2.91 0.03 . 1 . . . . . . . . 5567 1 532 . 1 1 56 56 ASN HB3 H 1 3.03 0.03 . 1 . . . . . . . . 5567 1 533 . 1 1 56 56 ASN CA C 13 53.74 0.3 . 1 . . . . . . . . 5567 1 534 . 1 1 56 56 ASN CB C 13 38.20 0.3 . 1 . . . . . . . . 5567 1 535 . 1 1 56 56 ASN N N 15 118.57 0.3 . 1 . . . . . . . . 5567 1 536 . 1 1 57 57 MET H H 1 7.84 0.03 . 1 . . . . . . . . 5567 1 537 . 1 1 57 57 MET HA H 1 5.01 0.03 . 1 . . . . . . . . 5567 1 538 . 1 1 57 57 MET HB2 H 1 1.81 0.03 . 1 . . . . . . . . 5567 1 539 . 1 1 57 57 MET HB3 H 1 2.06 0.03 . 1 . . . . . . . . 5567 1 540 . 1 1 57 57 MET HG2 H 1 2.50 0.03 . 1 . . . . . . . . 5567 1 541 . 1 1 57 57 MET HG3 H 1 2.73 0.03 . 1 . . . . . . . . 5567 1 542 . 1 1 57 57 MET HE1 H 1 2.10 0.03 . 1 . . . . . . . . 5567 1 543 . 1 1 57 57 MET HE2 H 1 2.10 0.03 . 1 . . . . . . . . 5567 1 544 . 1 1 57 57 MET HE3 H 1 2.10 0.03 . 1 . . . . . . . . 5567 1 545 . 1 1 57 57 MET CA C 13 53.63 0.3 . 1 . . . . . . . . 5567 1 546 . 1 1 57 57 MET CB C 13 35.69 0.3 . 1 . . . . . . . . 5567 1 547 . 1 1 57 57 MET CG C 13 32.18 0.3 . 1 . . . . . . . . 5567 1 548 . 1 1 57 57 MET CE C 13 17.70 0.3 . 1 . . . . . . . . 5567 1 549 . 1 1 57 57 MET N N 15 117.36 0.3 . 1 . . . . . . . . 5567 1 550 . 1 1 58 58 SER H H 1 8.71 0.03 . 1 . . . . . . . . 5567 1 551 . 1 1 58 58 SER HA H 1 5.63 0.03 . 1 . . . . . . . . 5567 1 552 . 1 1 58 58 SER HB2 H 1 3.27 0.03 . 1 . . . . . . . . 5567 1 553 . 1 1 58 58 SER HB3 H 1 3.29 0.03 . 1 . . . . . . . . 5567 1 554 . 1 1 58 58 SER CA C 13 57.82 0.3 . 1 . . . . . . . . 5567 1 555 . 1 1 58 58 SER CB C 13 67.93 0.3 . 1 . . . . . . . . 5567 1 556 . 1 1 58 58 SER N N 15 113.88 0.3 . 1 . . . . . . . . 5567 1 557 . 1 1 59 59 ALA H H 1 9.19 0.03 . 1 . . . . . . . . 5567 1 558 . 1 1 59 59 ALA HA H 1 5.76 0.03 . 1 . . . . . . . . 5567 1 559 . 1 1 59 59 ALA HB1 H 1 1.41 0.03 . 1 . . . . . . . . 5567 1 560 . 1 1 59 59 ALA HB2 H 1 1.41 0.03 . 1 . . . . . . . . 5567 1 561 . 1 1 59 59 ALA HB3 H 1 1.41 0.03 . 1 . . . . . . . . 5567 1 562 . 1 1 59 59 ALA CA C 13 49.93 0.3 . 1 . . . . . . . . 5567 1 563 . 1 1 59 59 ALA CB C 13 24.79 0.3 . 1 . . . . . . . . 5567 1 564 . 1 1 59 59 ALA N N 15 123.95 0.3 . 1 . . . . . . . . 5567 1 565 . 1 1 60 60 MET H H 1 8.75 0.03 . 1 . . . . . . . . 5567 1 566 . 1 1 60 60 MET HA H 1 4.99 0.03 . 1 . . . . . . . . 5567 1 567 . 1 1 60 60 MET HB2 H 1 2.23 0.03 . 1 . . . . . . . . 5567 1 568 . 1 1 60 60 MET HB3 H 1 2.55 0.03 . 1 . . . . . . . . 5567 1 569 . 1 1 60 60 MET HE1 H 1 1.79 0.03 . 1 . . . . . . . . 5567 1 570 . 1 1 60 60 MET HE2 H 1 1.79 0.03 . 1 . . . . . . . . 5567 1 571 . 1 1 60 60 MET HE3 H 1 1.79 0.03 . 1 . . . . . . . . 5567 1 572 . 1 1 60 60 MET CA C 13 52.42 0.3 . 1 . . . . . . . . 5567 1 573 . 1 1 60 60 MET CB C 13 34.16 0.3 . 1 . . . . . . . . 5567 1 574 . 1 1 60 60 MET CE C 13 19.19 0.3 . 1 . . . . . . . . 5567 1 575 . 1 1 60 60 MET N N 15 121.00 0.3 . 1 . . . . . . . . 5567 1 576 . 1 1 61 61 ALA H H 1 8.92 0.03 . 1 . . . . . . . . 5567 1 577 . 1 1 61 61 ALA HA H 1 4.72 0.03 . 1 . . . . . . . . 5567 1 578 . 1 1 61 61 ALA HB1 H 1 1.55 0.03 . 1 . . . . . . . . 5567 1 579 . 1 1 61 61 ALA HB2 H 1 1.55 0.03 . 1 . . . . . . . . 5567 1 580 . 1 1 61 61 ALA HB3 H 1 1.55 0.03 . 1 . . . . . . . . 5567 1 581 . 1 1 61 61 ALA CA C 13 52.85 0.3 . 1 . . . . . . . . 5567 1 582 . 1 1 61 61 ALA CB C 13 20.60 0.3 . 1 . . . . . . . . 5567 1 583 . 1 1 61 61 ALA N N 15 109.37 0.3 . 1 . . . . . . . . 5567 1 584 . 1 1 62 62 LEU H H 1 8.62 0.03 . 1 . . . . . . . . 5567 1 585 . 1 1 62 62 LEU HA H 1 4.46 0.03 . 1 . . . . . . . . 5567 1 586 . 1 1 62 62 LEU HB3 H 1 1.81 0.03 . 1 . . . . . . . . 5567 1 587 . 1 1 62 62 LEU HG H 1 0.73 0.03 . 1 . . . . . . . . 5567 1 588 . 1 1 62 62 LEU HD11 H 1 0.73 0.03 . 1 . . . . . . . . 5567 1 589 . 1 1 62 62 LEU HD12 H 1 0.73 0.03 . 1 . . . . . . . . 5567 1 590 . 1 1 62 62 LEU HD13 H 1 0.73 0.03 . 1 . . . . . . . . 5567 1 591 . 1 1 62 62 LEU HD21 H 1 0.69 0.03 . 1 . . . . . . . . 5567 1 592 . 1 1 62 62 LEU HD22 H 1 0.69 0.03 . 1 . . . . . . . . 5567 1 593 . 1 1 62 62 LEU HD23 H 1 0.69 0.03 . 1 . . . . . . . . 5567 1 594 . 1 1 62 62 LEU CA C 13 52.21 0.3 . 1 . . . . . . . . 5567 1 595 . 1 1 62 62 LEU CB C 13 39.09 0.3 . 1 . . . . . . . . 5567 1 596 . 1 1 62 62 LEU CG C 13 24.87 0.3 . 1 . . . . . . . . 5567 1 597 . 1 1 62 62 LEU CD1 C 13 24.79 0.3 . 1 . . . . . . . . 5567 1 598 . 1 1 62 62 LEU CD2 C 13 20.57 0.3 . 1 . . . . . . . . 5567 1 599 . 1 1 62 62 LEU N N 15 120.13 0.3 . 1 . . . . . . . . 5567 1 600 . 1 1 63 63 GLY H H 1 7.98 0.03 . 1 . . . . . . . . 5567 1 601 . 1 1 63 63 GLY HA2 H 1 3.28 0.03 . 1 . . . . . . . . 5567 1 602 . 1 1 63 63 GLY HA3 H 1 3.75 0.03 . 1 . . . . . . . . 5567 1 603 . 1 1 63 63 GLY CA C 13 46.91 0.3 . 1 . . . . . . . . 5567 1 604 . 1 1 63 63 GLY N N 15 126.90 0.3 . 1 . . . . . . . . 5567 1 605 . 1 1 64 64 PHE H H 1 9.69 0.03 . 1 . . . . . . . . 5567 1 606 . 1 1 64 64 PHE HA H 1 4.88 0.03 . 1 . . . . . . . . 5567 1 607 . 1 1 64 64 PHE HB2 H 1 2.57 0.03 . 1 . . . . . . . . 5567 1 608 . 1 1 64 64 PHE HB3 H 1 3.09 0.03 . 1 . . . . . . . . 5567 1 609 . 1 1 64 64 PHE HD1 H 1 6.97 0.03 . 3 . . . . . . . . 5567 1 610 . 1 1 64 64 PHE HE1 H 1 7.20 0.03 . 3 . . . . . . . . 5567 1 611 . 1 1 64 64 PHE HZ H 1 7.50 0.03 . 1 . . . . . . . . 5567 1 612 . 1 1 64 64 PHE CA C 13 55.60 0.3 . 1 . . . . . . . . 5567 1 613 . 1 1 64 64 PHE CB C 13 38.59 0.3 . 1 . . . . . . . . 5567 1 614 . 1 1 64 64 PHE CD1 C 13 130.43 0.3 . 3 . . . . . . . . 5567 1 615 . 1 1 64 64 PHE CE1 C 13 131.72 0.3 . 3 . . . . . . . . 5567 1 616 . 1 1 64 64 PHE N N 15 126.38 0.3 . 1 . . . . . . . . 5567 1 617 . 1 1 65 65 GLY H H 1 8.38 0.03 . 1 . . . . . . . . 5567 1 618 . 1 1 65 65 GLY HA2 H 1 3.83 0.03 . 1 . . . . . . . . 5567 1 619 . 1 1 65 65 GLY HA3 H 1 4.29 0.03 . 1 . . . . . . . . 5567 1 620 . 1 1 65 65 GLY CA C 13 49.69 0.3 . 1 . . . . . . . . 5567 1 621 . 1 1 65 65 GLY N N 15 129.50 0.3 . 1 . . . . . . . . 5567 1 622 . 1 1 66 66 ALA H H 1 9.45 0.03 . 1 . . . . . . . . 5567 1 623 . 1 1 66 66 ALA HA H 1 4.72 0.03 . 1 . . . . . . . . 5567 1 624 . 1 1 66 66 ALA HB1 H 1 1.65 0.03 . 1 . . . . . . . . 5567 1 625 . 1 1 66 66 ALA HB2 H 1 1.65 0.03 . 1 . . . . . . . . 5567 1 626 . 1 1 66 66 ALA HB3 H 1 1.65 0.03 . 1 . . . . . . . . 5567 1 627 . 1 1 66 66 ALA CA C 13 52.91 0.3 . 1 . . . . . . . . 5567 1 628 . 1 1 66 66 ALA CB C 13 19.12 0.3 . 1 . . . . . . . . 5567 1 629 . 1 1 66 66 ALA N N 15 120.30 0.3 . 1 . . . . . . . . 5567 1 630 . 1 1 67 67 ILE H H 1 7.95 0.03 . 1 . . . . . . . . 5567 1 631 . 1 1 67 67 ILE HA H 1 3.85 0.03 . 1 . . . . . . . . 5567 1 632 . 1 1 67 67 ILE HB H 1 1.55 0.03 . 1 . . . . . . . . 5567 1 633 . 1 1 67 67 ILE HG12 H 1 0.76 0.03 . 1 . . . . . . . . 5567 1 634 . 1 1 67 67 ILE HG13 H 1 1.55 0.03 . 1 . . . . . . . . 5567 1 635 . 1 1 67 67 ILE HG21 H 1 0.73 0.03 . 1 . . . . . . . . 5567 1 636 . 1 1 67 67 ILE HG22 H 1 0.73 0.03 . 1 . . . . . . . . 5567 1 637 . 1 1 67 67 ILE HG23 H 1 0.73 0.03 . 1 . . . . . . . . 5567 1 638 . 1 1 67 67 ILE HD11 H 1 0.92 0.03 . 1 . . . . . . . . 5567 1 639 . 1 1 67 67 ILE HD12 H 1 0.92 0.03 . 1 . . . . . . . . 5567 1 640 . 1 1 67 67 ILE HD13 H 1 0.92 0.03 . 1 . . . . . . . . 5567 1 641 . 1 1 67 67 ILE CA C 13 61.91 0.3 . 1 . . . . . . . . 5567 1 642 . 1 1 67 67 ILE CB C 13 38.10 0.3 . 1 . . . . . . . . 5567 1 643 . 1 1 67 67 ILE CG1 C 13 28.73 0.3 . 1 . . . . . . . . 5567 1 644 . 1 1 67 67 ILE CG2 C 13 18.13 0.3 . 1 . . . . . . . . 5567 1 645 . 1 1 67 67 ILE CD1 C 13 14.90 0.3 . 1 . . . . . . . . 5567 1 646 . 1 1 67 67 ILE N N 15 116.83 0.3 . 1 . . . . . . . . 5567 1 647 . 1 1 68 68 PHE H H 1 6.52 0.03 . 1 . . . . . . . . 5567 1 648 . 1 1 68 68 PHE HA H 1 4.13 0.03 . 1 . . . . . . . . 5567 1 649 . 1 1 68 68 PHE HB2 H 1 2.73 0.03 . 1 . . . . . . . . 5567 1 650 . 1 1 68 68 PHE HB3 H 1 2.89 0.03 . 1 . . . . . . . . 5567 1 651 . 1 1 68 68 PHE HD1 H 1 7.53 0.03 . 3 . . . . . . . . 5567 1 652 . 1 1 68 68 PHE HE1 H 1 6.85 0.03 . 3 . . . . . . . . 5567 1 653 . 1 1 68 68 PHE CA C 13 59.55 0.3 . 1 . . . . . . . . 5567 1 654 . 1 1 68 68 PHE CB C 13 39.82 0.3 . 1 . . . . . . . . 5567 1 655 . 1 1 68 68 PHE CD1 C 13 133.02 0.3 . 3 . . . . . . . . 5567 1 656 . 1 1 68 68 PHE N N 15 114.23 0.3 . 1 . . . . . . . . 5567 1 657 . 1 1 69 69 ASN H H 1 9.96 0.03 . 1 . . . . . . . . 5567 1 658 . 1 1 69 69 ASN HA H 1 4.99 0.03 . 1 . . . . . . . . 5567 1 659 . 1 1 69 69 ASN HB2 H 1 2.71 0.03 . 1 . . . . . . . . 5567 1 660 . 1 1 69 69 ASN HB3 H 1 2.83 0.03 . 1 . . . . . . . . 5567 1 661 . 1 1 69 69 ASN CA C 13 52.40 0.3 . 1 . . . . . . . . 5567 1 662 . 1 1 69 69 ASN CB C 13 39.09 0.3 . 1 . . . . . . . . 5567 1 663 . 1 1 69 69 ASN N N 15 123.78 0.3 . 1 . . . . . . . . 5567 1 664 . 1 1 70 70 HIS H H 1 8.22 0.03 . 1 . . . . . . . . 5567 1 665 . 1 1 70 70 HIS HA H 1 5.28 0.03 . 1 . . . . . . . . 5567 1 666 . 1 1 70 70 HIS CA C 13 53.26 0.3 . 1 . . . . . . . . 5567 1 667 . 1 1 70 70 HIS CB C 13 30.43 0.3 . 1 . . . . . . . . 5567 1 668 . 1 1 70 70 HIS N N 15 115.79 0.3 . 1 . . . . . . . . 5567 1 669 . 1 1 71 71 SER H H 1 8.30 0.03 . 1 . . . . . . . . 5567 1 670 . 1 1 71 71 SER HA H 1 4.72 0.03 . 1 . . . . . . . . 5567 1 671 . 1 1 71 71 SER HB2 H 1 3.15 0.03 . 1 . . . . . . . . 5567 1 672 . 1 1 71 71 SER HB3 H 1 3.83 0.03 . 1 . . . . . . . . 5567 1 673 . 1 1 71 71 SER CA C 13 56.34 0.3 . 1 . . . . . . . . 5567 1 674 . 1 1 71 71 SER CB C 13 65.95 0.3 . 1 . . . . . . . . 5567 1 675 . 1 1 71 71 SER N N 15 113.53 0.3 . 1 . . . . . . . . 5567 1 676 . 1 1 72 72 LYS H H 1 8.65 0.03 . 1 . . . . . . . . 5567 1 677 . 1 1 72 72 LYS HA H 1 4.43 0.03 . 1 . . . . . . . . 5567 1 678 . 1 1 72 72 LYS CA C 13 57.15 0.3 . 1 . . . . . . . . 5567 1 679 . 1 1 72 72 LYS CB C 13 32.33 0.3 . 1 . . . . . . . . 5567 1 680 . 1 1 72 72 LYS N N 15 122.91 0.3 . 1 . . . . . . . . 5567 1 681 . 1 1 73 73 ASP H H 1 8.33 0.03 . 1 . . . . . . . . 5567 1 682 . 1 1 73 73 ASP HA H 1 5.09 0.03 . 1 . . . . . . . . 5567 1 683 . 1 1 73 73 ASP HB2 H 1 2.38 0.03 . 1 . . . . . . . . 5567 1 684 . 1 1 73 73 ASP HB3 H 1 2.70 0.03 . 1 . . . . . . . . 5567 1 685 . 1 1 73 73 ASP CA C 13 51.66 0.3 . 1 . . . . . . . . 5567 1 686 . 1 1 73 73 ASP CB C 13 41.06 0.3 . 1 . . . . . . . . 5567 1 687 . 1 1 73 73 ASP N N 15 119.26 0.3 . 1 . . . . . . . . 5567 1 688 . 1 1 74 74 PRO CA C 13 62.31 0.3 . 1 . . . . . . . . 5567 1 689 . 1 1 74 74 PRO CB C 13 32.57 0.3 . 1 . . . . . . . . 5567 1 690 . 1 1 75 75 ASN H H 1 7.70 0.03 . 1 . . . . . . . . 5567 1 691 . 1 1 75 75 ASN HA H 1 4.59 0.03 . 1 . . . . . . . . 5567 1 692 . 1 1 75 75 ASN CA C 13 51.38 0.3 . 1 . . . . . . . . 5567 1 693 . 1 1 75 75 ASN CB C 13 37.85 0.3 . 1 . . . . . . . . 5567 1 694 . 1 1 75 75 ASN N N 15 112.80 0.3 . 1 . . . . . . . . 5567 1 695 . 1 1 76 76 ALA H H 1 8.61 0.03 . 1 . . . . . . . . 5567 1 696 . 1 1 76 76 ALA HA H 1 5.05 0.03 . 1 . . . . . . . . 5567 1 697 . 1 1 76 76 ALA HB1 H 1 1.00 0.03 . 1 . . . . . . . . 5567 1 698 . 1 1 76 76 ALA HB2 H 1 1.00 0.03 . 1 . . . . . . . . 5567 1 699 . 1 1 76 76 ALA HB3 H 1 1.00 0.03 . 1 . . . . . . . . 5567 1 700 . 1 1 76 76 ALA CA C 13 51.41 0.3 . 1 . . . . . . . . 5567 1 701 . 1 1 76 76 ALA CB C 13 21.84 0.3 . 1 . . . . . . . . 5567 1 702 . 1 1 76 76 ALA N N 15 123.80 0.3 . 1 . . . . . . . . 5567 1 703 . 1 1 77 77 ARG H H 1 9.20 0.03 . 1 . . . . . . . . 5567 1 704 . 1 1 77 77 ARG HA H 1 5.21 0.03 . 1 . . . . . . . . 5567 1 705 . 1 1 77 77 ARG HB2 H 1 1.57 0.03 . 1 . . . . . . . . 5567 1 706 . 1 1 77 77 ARG HB3 H 1 1.79 0.03 . 1 . . . . . . . . 5567 1 707 . 1 1 77 77 ARG HG3 H 1 1.61 0.03 . 1 . . . . . . . . 5567 1 708 . 1 1 77 77 ARG HD2 H 1 3.05 0.03 . 1 . . . . . . . . 5567 1 709 . 1 1 77 77 ARG HD3 H 1 3.20 0.03 . 1 . . . . . . . . 5567 1 710 . 1 1 77 77 ARG CA C 13 53.88 0.3 . 1 . . . . . . . . 5567 1 711 . 1 1 77 77 ARG CB C 13 33.41 0.3 . 1 . . . . . . . . 5567 1 712 . 1 1 77 77 ARG CG C 13 27.99 0.3 . 1 . . . . . . . . 5567 1 713 . 1 1 77 77 ARG CD C 13 43.77 0.3 . 1 . . . . . . . . 5567 1 714 . 1 1 77 77 ARG N N 15 116.00 0.3 . 1 . . . . . . . . 5567 1 715 . 1 1 78 78 HIS H H 1 8.33 0.03 . 1 . . . . . . . . 5567 1 716 . 1 1 78 78 HIS HA H 1 5.88 0.03 . 1 . . . . . . . . 5567 1 717 . 1 1 78 78 HIS HB2 H 1 2.58 0.03 . 1 . . . . . . . . 5567 1 718 . 1 1 78 78 HIS HB3 H 1 2.83 0.03 . 1 . . . . . . . . 5567 1 719 . 1 1 78 78 HIS HD2 H 1 6.28 0.03 . 1 . . . . . . . . 5567 1 720 . 1 1 78 78 HIS CA C 13 53.63 0.3 . 1 . . . . . . . . 5567 1 721 . 1 1 78 78 HIS CB C 13 35.14 0.3 . 1 . . . . . . . . 5567 1 722 . 1 1 78 78 HIS CD2 C 13 117.92 0.3 . 1 . . . . . . . . 5567 1 723 . 1 1 78 78 HIS N N 15 119.26 0.3 . 1 . . . . . . . . 5567 1 724 . 1 1 79 79 GLU H H 1 9.10 0.03 . 1 . . . . . . . . 5567 1 725 . 1 1 79 79 GLU HA H 1 4.54 0.03 . 1 . . . . . . . . 5567 1 726 . 1 1 79 79 GLU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5567 1 727 . 1 1 79 79 GLU HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5567 1 728 . 1 1 79 79 GLU HG3 H 1 2.14 0.03 . 1 . . . . . . . . 5567 1 729 . 1 1 79 79 GLU CA C 13 54.78 0.3 . 1 . . . . . . . . 5567 1 730 . 1 1 79 79 GLU CB C 13 33.66 0.3 . 1 . . . . . . . . 5567 1 731 . 1 1 79 79 GLU CG C 13 36.37 0.3 . 1 . . . . . . . . 5567 1 732 . 1 1 79 79 GLU N N 15 120.83 0.3 . 1 . . . . . . . . 5567 1 733 . 1 1 80 80 LEU H H 1 8.62 0.03 . 1 . . . . . . . . 5567 1 734 . 1 1 80 80 LEU HA H 1 5.33 0.03 . 1 . . . . . . . . 5567 1 735 . 1 1 80 80 LEU HB2 H 1 1.47 0.03 . 1 . . . . . . . . 5567 1 736 . 1 1 80 80 LEU HB3 H 1 1.61 0.03 . 1 . . . . . . . . 5567 1 737 . 1 1 80 80 LEU HG H 1 1.37 0.03 . 1 . . . . . . . . 5567 1 738 . 1 1 80 80 LEU HD11 H 1 0.64 0.03 . 1 . . . . . . . . 5567 1 739 . 1 1 80 80 LEU HD12 H 1 0.64 0.03 . 1 . . . . . . . . 5567 1 740 . 1 1 80 80 LEU HD13 H 1 0.64 0.03 . 1 . . . . . . . . 5567 1 741 . 1 1 80 80 LEU HD21 H 1 0.57 0.03 . 1 . . . . . . . . 5567 1 742 . 1 1 80 80 LEU HD22 H 1 0.57 0.03 . 1 . . . . . . . . 5567 1 743 . 1 1 80 80 LEU HD23 H 1 0.57 0.03 . 1 . . . . . . . . 5567 1 744 . 1 1 80 80 LEU CA C 13 53.63 0.3 . 1 . . . . . . . . 5567 1 745 . 1 1 80 80 LEU CB C 13 44.02 0.3 . 1 . . . . . . . . 5567 1 746 . 1 1 80 80 LEU CG C 13 28.73 0.3 . 1 . . . . . . . . 5567 1 747 . 1 1 80 80 LEU CD1 C 13 25.53 0.3 . 1 . . . . . . . . 5567 1 748 . 1 1 80 80 LEU CD2 C 13 24.54 0.3 . 1 . . . . . . . . 5567 1 749 . 1 1 80 80 LEU N N 15 126.55 0.3 . 1 . . . . . . . . 5567 1 750 . 1 1 81 81 THR H H 1 8.43 0.03 . 1 . . . . . . . . 5567 1 751 . 1 1 81 81 THR HA H 1 4.42 0.03 . 1 . . . . . . . . 5567 1 752 . 1 1 81 81 THR HB H 1 4.68 0.03 . 1 . . . . . . . . 5567 1 753 . 1 1 81 81 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 5567 1 754 . 1 1 81 81 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 5567 1 755 . 1 1 81 81 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 5567 1 756 . 1 1 81 81 THR CA C 13 61.27 0.3 . 1 . . . . . . . . 5567 1 757 . 1 1 81 81 THR CB C 13 69.90 0.3 . 1 . . . . . . . . 5567 1 758 . 1 1 81 81 THR CG2 C 13 22.57 0.3 . 1 . . . . . . . . 5567 1 759 . 1 1 81 81 THR N N 15 113.36 0.3 . 1 . . . . . . . . 5567 1 760 . 1 1 82 82 ALA H H 1 8.52 0.03 . 1 . . . . . . . . 5567 1 761 . 1 1 82 82 ALA HA H 1 4.23 0.03 . 1 . . . . . . . . 5567 1 762 . 1 1 82 82 ALA HB1 H 1 1.51 0.03 . 1 . . . . . . . . 5567 1 763 . 1 1 82 82 ALA HB2 H 1 1.51 0.03 . 1 . . . . . . . . 5567 1 764 . 1 1 82 82 ALA HB3 H 1 1.51 0.03 . 1 . . . . . . . . 5567 1 765 . 1 1 82 82 ALA CA C 13 54.24 0.3 . 1 . . . . . . . . 5567 1 766 . 1 1 82 82 ALA CB C 13 18.16 0.3 . 1 . . . . . . . . 5567 1 767 . 1 1 82 82 ALA N N 15 122.56 0.3 . 1 . . . . . . . . 5567 1 768 . 1 1 83 83 GLY CA C 13 45.36 0.3 . 1 . . . . . . . . 5567 1 769 . 1 1 84 84 LEU H H 1 8.39 0.03 . 1 . . . . . . . . 5567 1 770 . 1 1 84 84 LEU HA H 1 3.66 0.03 . 1 . . . . . . . . 5567 1 771 . 1 1 84 84 LEU HB2 H 1 1.69 0.03 . 1 . . . . . . . . 5567 1 772 . 1 1 84 84 LEU HB3 H 1 2.26 0.03 . 1 . . . . . . . . 5567 1 773 . 1 1 84 84 LEU HG H 1 0.84 0.03 . 1 . . . . . . . . 5567 1 774 . 1 1 84 84 LEU HD11 H 1 0.64 0.03 . 1 . . . . . . . . 5567 1 775 . 1 1 84 84 LEU HD12 H 1 0.64 0.03 . 1 . . . . . . . . 5567 1 776 . 1 1 84 84 LEU HD13 H 1 0.64 0.03 . 1 . . . . . . . . 5567 1 777 . 1 1 84 84 LEU HD21 H 1 0.57 0.03 . 1 . . . . . . . . 5567 1 778 . 1 1 84 84 LEU HD22 H 1 0.57 0.03 . 1 . . . . . . . . 5567 1 779 . 1 1 84 84 LEU HD23 H 1 0.57 0.03 . 1 . . . . . . . . 5567 1 780 . 1 1 84 84 LEU CA C 13 56.43 0.3 . 1 . . . . . . . . 5567 1 781 . 1 1 84 84 LEU CB C 13 38.84 0.3 . 1 . . . . . . . . 5567 1 782 . 1 1 84 84 LEU CG C 13 24.50 0.3 . 1 . . . . . . . . 5567 1 783 . 1 1 84 84 LEU CD1 C 13 25.53 0.3 . 1 . . . . . . . . 5567 1 784 . 1 1 84 84 LEU CD2 C 13 24.54 0.3 . 1 . . . . . . . . 5567 1 785 . 1 1 84 84 LEU N N 15 112.67 0.3 . 1 . . . . . . . . 5567 1 786 . 1 1 85 85 LYS H H 1 6.48 0.03 . 1 . . . . . . . . 5567 1 787 . 1 1 85 85 LYS HA H 1 3.85 0.03 . 1 . . . . . . . . 5567 1 788 . 1 1 85 85 LYS HB3 H 1 2.02 0.03 . 1 . . . . . . . . 5567 1 789 . 1 1 85 85 LYS HG3 H 1 1.53 0.03 . 1 . . . . . . . . 5567 1 790 . 1 1 85 85 LYS HD3 H 1 1.83 0.03 . 1 . . . . . . . . 5567 1 791 . 1 1 85 85 LYS HE3 H 1 3.17 0.03 . 1 . . . . . . . . 5567 1 792 . 1 1 85 85 LYS CA C 13 59.05 0.3 . 1 . . . . . . . . 5567 1 793 . 1 1 85 85 LYS CB C 13 33.66 0.3 . 1 . . . . . . . . 5567 1 794 . 1 1 85 85 LYS CG C 13 25.30 0.3 . 1 . . . . . . . . 5567 1 795 . 1 1 85 85 LYS CD C 13 28.98 0.3 . 1 . . . . . . . . 5567 1 796 . 1 1 85 85 LYS CE C 13 42.04 0.3 . 1 . . . . . . . . 5567 1 797 . 1 1 85 85 LYS N N 15 110.93 0.3 . 1 . . . . . . . . 5567 1 798 . 1 1 86 86 ARG H H 1 7.70 0.03 . 1 . . . . . . . . 5567 1 799 . 1 1 86 86 ARG HA H 1 5.18 0.03 . 1 . . . . . . . . 5567 1 800 . 1 1 86 86 ARG CA C 13 53.87 0.3 . 1 . . . . . . . . 5567 1 801 . 1 1 86 86 ARG CB C 13 34.09 0.3 . 1 . . . . . . . . 5567 1 802 . 1 1 86 86 ARG N N 15 114.90 0.3 . 1 . . . . . . . . 5567 1 803 . 1 1 87 87 MET H H 1 8.75 0.03 . 1 . . . . . . . . 5567 1 804 . 1 1 87 87 MET HA H 1 5.31 0.03 . 1 . . . . . . . . 5567 1 805 . 1 1 87 87 MET HB3 H 1 1.72 0.03 . 1 . . . . . . . . 5567 1 806 . 1 1 87 87 MET HG3 H 1 1.98 0.03 . 1 . . . . . . . . 5567 1 807 . 1 1 87 87 MET HE1 H 1 1.61 0.03 . 1 . . . . . . . . 5567 1 808 . 1 1 87 87 MET HE2 H 1 1.61 0.03 . 1 . . . . . . . . 5567 1 809 . 1 1 87 87 MET HE3 H 1 1.61 0.03 . 1 . . . . . . . . 5567 1 810 . 1 1 87 87 MET CA C 13 53.88 0.3 . 1 . . . . . . . . 5567 1 811 . 1 1 87 87 MET CB C 13 36.38 0.3 . 1 . . . . . . . . 5567 1 812 . 1 1 87 87 MET CE C 13 18.13 0.3 . 1 . . . . . . . . 5567 1 813 . 1 1 87 87 MET N N 15 121.87 0.3 . 1 . . . . . . . . 5567 1 814 . 1 1 88 88 ARG H H 1 8.92 0.03 . 1 . . . . . . . . 5567 1 815 . 1 1 88 88 ARG HA H 1 5.13 0.03 . 1 . . . . . . . . 5567 1 816 . 1 1 88 88 ARG HB3 H 1 1.37 0.03 . 1 . . . . . . . . 5567 1 817 . 1 1 88 88 ARG HD3 H 1 3.21 0.03 . 1 . . . . . . . . 5567 1 818 . 1 1 88 88 ARG CA C 13 54.86 0.3 . 1 . . . . . . . . 5567 1 819 . 1 1 88 88 ARG CB C 13 34.65 0.3 . 1 . . . . . . . . 5567 1 820 . 1 1 88 88 ARG CD C 13 43.68 0.3 . 1 . . . . . . . . 5567 1 821 . 1 1 88 88 ARG N N 15 123.95 0.3 . 1 . . . . . . . . 5567 1 822 . 1 1 89 89 ILE H H 1 8.32 0.03 . 1 . . . . . . . . 5567 1 823 . 1 1 89 89 ILE HA H 1 5.03 0.03 . 1 . . . . . . . . 5567 1 824 . 1 1 89 89 ILE HB H 1 1.28 0.03 . 1 . . . . . . . . 5567 1 825 . 1 1 89 89 ILE HG12 H 1 0.59 0.03 . 1 . . . . . . . . 5567 1 826 . 1 1 89 89 ILE HG13 H 1 0.94 0.03 . 1 . . . . . . . . 5567 1 827 . 1 1 89 89 ILE HG21 H 1 0.06 0.03 . 1 . . . . . . . . 5567 1 828 . 1 1 89 89 ILE HG22 H 1 0.06 0.03 . 1 . . . . . . . . 5567 1 829 . 1 1 89 89 ILE HG23 H 1 0.06 0.03 . 1 . . . . . . . . 5567 1 830 . 1 1 89 89 ILE HD11 H 1 0.41 0.03 . 1 . . . . . . . . 5567 1 831 . 1 1 89 89 ILE HD12 H 1 0.41 0.03 . 1 . . . . . . . . 5567 1 832 . 1 1 89 89 ILE HD13 H 1 0.41 0.03 . 1 . . . . . . . . 5567 1 833 . 1 1 89 89 ILE CA C 13 59.79 0.3 . 1 . . . . . . . . 5567 1 834 . 1 1 89 89 ILE CB C 13 39.82 0.3 . 1 . . . . . . . . 5567 1 835 . 1 1 89 89 ILE CG1 C 13 28.48 0.3 . 1 . . . . . . . . 5567 1 836 . 1 1 89 89 ILE CG2 C 13 18.62 0.3 . 1 . . . . . . . . 5567 1 837 . 1 1 89 89 ILE CD1 C 13 14.19 0.3 . 1 . . . . . . . . 5567 1 838 . 1 1 89 89 ILE N N 15 121.52 0.3 . 1 . . . . . . . . 5567 1 839 . 1 1 90 90 PHE H H 1 8.70 0.03 . 1 . . . . . . . . 5567 1 840 . 1 1 90 90 PHE HA H 1 5.60 0.03 . 1 . . . . . . . . 5567 1 841 . 1 1 90 90 PHE HB2 H 1 2.51 0.03 . 1 . . . . . . . . 5567 1 842 . 1 1 90 90 PHE HB3 H 1 2.85 0.03 . 1 . . . . . . . . 5567 1 843 . 1 1 90 90 PHE HD1 H 1 6.92 0.03 . 3 . . . . . . . . 5567 1 844 . 1 1 90 90 PHE HE1 H 1 7.28 0.03 . 3 . . . . . . . . 5567 1 845 . 1 1 90 90 PHE CA C 13 55.60 0.3 . 1 . . . . . . . . 5567 1 846 . 1 1 90 90 PHE CB C 13 43.77 0.3 . 1 . . . . . . . . 5567 1 847 . 1 1 90 90 PHE CD1 C 13 131.72 0.3 . 3 . . . . . . . . 5567 1 848 . 1 1 90 90 PHE CE1 C 13 129.80 0.3 . 3 . . . . . . . . 5567 1 849 . 1 1 90 90 PHE N N 15 124.64 0.3 . 1 . . . . . . . . 5567 1 850 . 1 1 91 91 THR H H 1 9.17 0.03 . 1 . . . . . . . . 5567 1 851 . 1 1 91 91 THR HA H 1 4.62 0.03 . 1 . . . . . . . . 5567 1 852 . 1 1 91 91 THR HB H 1 5.11 0.03 . 1 . . . . . . . . 5567 1 853 . 1 1 91 91 THR HG21 H 1 1.10 0.03 . 1 . . . . . . . . 5567 1 854 . 1 1 91 91 THR HG22 H 1 1.10 0.03 . 1 . . . . . . . . 5567 1 855 . 1 1 91 91 THR HG23 H 1 1.10 0.03 . 1 . . . . . . . . 5567 1 856 . 1 1 91 91 THR CA C 13 62.46 0.3 . 1 . . . . . . . . 5567 1 857 . 1 1 91 91 THR CB C 13 68.91 0.3 . 1 . . . . . . . . 5567 1 858 . 1 1 91 91 THR CG2 C 13 25.03 0.3 . 1 . . . . . . . . 5567 1 859 . 1 1 91 91 THR N N 15 112.14 0.3 . 1 . . . . . . . . 5567 1 860 . 1 1 92 92 ILE H H 1 9.00 0.03 . 1 . . . . . . . . 5567 1 861 . 1 1 92 92 ILE HA H 1 4.72 0.03 . 1 . . . . . . . . 5567 1 862 . 1 1 92 92 ILE HB H 1 2.26 0.03 . 1 . . . . . . . . 5567 1 863 . 1 1 92 92 ILE HG12 H 1 1.10 0.03 . 1 . . . . . . . . 5567 1 864 . 1 1 92 92 ILE HG13 H 1 1.22 0.03 . 1 . . . . . . . . 5567 1 865 . 1 1 92 92 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 866 . 1 1 92 92 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 867 . 1 1 92 92 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 868 . 1 1 92 92 ILE HD11 H 1 0.82 0.03 . 1 . . . . . . . . 5567 1 869 . 1 1 92 92 ILE HD12 H 1 0.82 0.03 . 1 . . . . . . . . 5567 1 870 . 1 1 92 92 ILE HD13 H 1 0.82 0.03 . 1 . . . . . . . . 5567 1 871 . 1 1 92 92 ILE CA C 13 61.27 0.3 . 1 . . . . . . . . 5567 1 872 . 1 1 92 92 ILE CB C 13 38.84 0.3 . 1 . . . . . . . . 5567 1 873 . 1 1 92 92 ILE CG1 C 13 25.03 0.3 . 1 . . . . . . . . 5567 1 874 . 1 1 92 92 ILE CG2 C 13 18.46 0.3 . 1 . . . . . . . . 5567 1 875 . 1 1 92 92 ILE CD1 C 13 13.94 0.3 . 1 . . . . . . . . 5567 1 876 . 1 1 92 92 ILE N N 15 115.27 0.3 . 1 . . . . . . . . 5567 1 877 . 1 1 93 93 LYS H H 1 8.11 0.03 . 1 . . . . . . . . 5567 1 878 . 1 1 93 93 LYS HA H 1 4.64 0.03 . 1 . . . . . . . . 5567 1 879 . 1 1 93 93 LYS CA C 13 53.70 0.3 . 1 . . . . . . . . 5567 1 880 . 1 1 93 93 LYS CB C 13 33.44 0.3 . 1 . . . . . . . . 5567 1 881 . 1 1 93 93 LYS N N 15 120.99 0.3 . 1 . . . . . . . . 5567 1 882 . 1 1 94 94 PRO HA H 1 4.62 0.03 . 1 . . . . . . . . 5567 1 883 . 1 1 94 94 PRO HB3 H 1 2.54 0.03 . 1 . . . . . . . . 5567 1 884 . 1 1 94 94 PRO HG2 H 1 2.12 0.03 . 1 . . . . . . . . 5567 1 885 . 1 1 94 94 PRO HG3 H 1 2.28 0.03 . 1 . . . . . . . . 5567 1 886 . 1 1 94 94 PRO HD3 H 1 3.77 0.03 . 1 . . . . . . . . 5567 1 887 . 1 1 94 94 PRO CA C 13 63.24 0.3 . 1 . . . . . . . . 5567 1 888 . 1 1 94 94 PRO CB C 13 31.70 0.3 . 1 . . . . . . . . 5567 1 889 . 1 1 94 94 PRO CG C 13 28.70 0.3 . 1 . . . . . . . . 5567 1 890 . 1 1 94 94 PRO CD C 13 50.42 0.3 . 1 . . . . . . . . 5567 1 891 . 1 1 95 95 ILE H H 1 8.43 0.03 . 1 . . . . . . . . 5567 1 892 . 1 1 95 95 ILE HA H 1 4.40 0.03 . 1 . . . . . . . . 5567 1 893 . 1 1 95 95 ILE HB H 1 1.85 0.03 . 1 . . . . . . . . 5567 1 894 . 1 1 95 95 ILE HG21 H 1 1.10 0.03 . 1 . . . . . . . . 5567 1 895 . 1 1 95 95 ILE HG22 H 1 1.10 0.03 . 1 . . . . . . . . 5567 1 896 . 1 1 95 95 ILE HG23 H 1 1.10 0.03 . 1 . . . . . . . . 5567 1 897 . 1 1 95 95 ILE HD11 H 1 0.69 0.03 . 1 . . . . . . . . 5567 1 898 . 1 1 95 95 ILE HD12 H 1 0.69 0.03 . 1 . . . . . . . . 5567 1 899 . 1 1 95 95 ILE HD13 H 1 0.69 0.03 . 1 . . . . . . . . 5567 1 900 . 1 1 95 95 ILE CA C 13 61.20 0.3 . 1 . . . . . . . . 5567 1 901 . 1 1 95 95 ILE CB C 13 42.54 0.3 . 1 . . . . . . . . 5567 1 902 . 1 1 95 95 ILE CG2 C 13 18.13 0.3 . 1 . . . . . . . . 5567 1 903 . 1 1 95 95 ILE CD1 C 13 14.93 0.3 . 1 . . . . . . . . 5567 1 904 . 1 1 95 95 ILE N N 15 122.21 0.3 . 1 . . . . . . . . 5567 1 905 . 1 1 96 96 ALA H H 1 8.92 0.03 . 1 . . . . . . . . 5567 1 906 . 1 1 96 96 ALA HA H 1 4.64 0.03 . 1 . . . . . . . . 5567 1 907 . 1 1 96 96 ALA HB1 H 1 1.51 0.03 . 1 . . . . . . . . 5567 1 908 . 1 1 96 96 ALA HB2 H 1 1.51 0.03 . 1 . . . . . . . . 5567 1 909 . 1 1 96 96 ALA HB3 H 1 1.51 0.03 . 1 . . . . . . . . 5567 1 910 . 1 1 96 96 ALA CA C 13 50.68 0.3 . 1 . . . . . . . . 5567 1 911 . 1 1 96 96 ALA CB C 13 20.60 0.3 . 1 . . . . . . . . 5567 1 912 . 1 1 96 96 ALA N N 15 109.02 0.3 . 1 . . . . . . . . 5567 1 913 . 1 1 97 97 ILE H H 1 8.04 0.03 . 1 . . . . . . . . 5567 1 914 . 1 1 97 97 ILE HA H 1 3.24 0.03 . 1 . . . . . . . . 5567 1 915 . 1 1 97 97 ILE HB H 1 1.61 0.03 . 1 . . . . . . . . 5567 1 916 . 1 1 97 97 ILE HG12 H 1 0.63 0.03 . 1 . . . . . . . . 5567 1 917 . 1 1 97 97 ILE HG13 H 1 1.61 0.03 . 1 . . . . . . . . 5567 1 918 . 1 1 97 97 ILE HG21 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 919 . 1 1 97 97 ILE HG22 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 920 . 1 1 97 97 ILE HG23 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 921 . 1 1 97 97 ILE HD11 H 1 1.00 0.03 . 1 . . . . . . . . 5567 1 922 . 1 1 97 97 ILE HD12 H 1 1.00 0.03 . 1 . . . . . . . . 5567 1 923 . 1 1 97 97 ILE HD13 H 1 1.00 0.03 . 1 . . . . . . . . 5567 1 924 . 1 1 97 97 ILE CA C 13 64.72 0.3 . 1 . . . . . . . . 5567 1 925 . 1 1 97 97 ILE CB C 13 38.13 0.3 . 1 . . . . . . . . 5567 1 926 . 1 1 97 97 ILE CG1 C 13 29.72 0.3 . 1 . . . . . . . . 5567 1 927 . 1 1 97 97 ILE CG2 C 13 16.90 0.3 . 1 . . . . . . . . 5567 1 928 . 1 1 97 97 ILE CD1 C 13 13.94 0.3 . 1 . . . . . . . . 5567 1 929 . 1 1 97 97 ILE N N 15 118.20 0.3 . 1 . . . . . . . . 5567 1 930 . 1 1 98 98 GLY H H 1 8.84 0.03 . 1 . . . . . . . . 5567 1 931 . 1 1 98 98 GLY HA2 H 1 3.83 0.03 . 1 . . . . . . . . 5567 1 932 . 1 1 98 98 GLY HA3 H 1 4.51 0.03 . 1 . . . . . . . . 5567 1 933 . 1 1 98 98 GLY CA C 13 44.93 0.3 . 1 . . . . . . . . 5567 1 934 . 1 1 98 98 GLY N N 15 114.92 0.3 . 1 . . . . . . . . 5567 1 935 . 1 1 99 99 GLU H H 1 8.16 0.03 . 1 . . . . . . . . 5567 1 936 . 1 1 99 99 GLU HA H 1 4.48 0.03 . 1 . . . . . . . . 5567 1 937 . 1 1 99 99 GLU HB3 H 1 2.28 0.03 . 1 . . . . . . . . 5567 1 938 . 1 1 99 99 GLU HG2 H 1 2.36 0.03 . 1 . . . . . . . . 5567 1 939 . 1 1 99 99 GLU HG3 H 1 2.52 0.03 . 1 . . . . . . . . 5567 1 940 . 1 1 99 99 GLU CA C 13 57.08 0.3 . 1 . . . . . . . . 5567 1 941 . 1 1 99 99 GLU CB C 13 31.20 0.3 . 1 . . . . . . . . 5567 1 942 . 1 1 99 99 GLU CG C 13 37.61 0.3 . 1 . . . . . . . . 5567 1 943 . 1 1 99 99 GLU N N 15 122.04 0.3 . 1 . . . . . . . . 5567 1 944 . 1 1 100 100 GLU H H 1 8.67 0.03 . 1 . . . . . . . . 5567 1 945 . 1 1 100 100 GLU HA H 1 3.60 0.03 . 1 . . . . . . . . 5567 1 946 . 1 1 100 100 GLU HB2 H 1 1.90 0.03 . 1 . . . . . . . . 5567 1 947 . 1 1 100 100 GLU HB3 H 1 2.28 0.03 . 1 . . . . . . . . 5567 1 948 . 1 1 100 100 GLU CA C 13 57.08 0.3 . 1 . . . . . . . . 5567 1 949 . 1 1 100 100 GLU CB C 13 31.94 0.3 . 1 . . . . . . . . 5567 1 950 . 1 1 100 100 GLU N N 15 124.12 0.3 . 1 . . . . . . . . 5567 1 951 . 1 1 101 101 ILE H H 1 9.27 0.03 . 1 . . . . . . . . 5567 1 952 . 1 1 101 101 ILE HA H 1 4.74 0.03 . 1 . . . . . . . . 5567 1 953 . 1 1 101 101 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 5567 1 954 . 1 1 101 101 ILE HG12 H 1 0.87 0.03 . 1 . . . . . . . . 5567 1 955 . 1 1 101 101 ILE HG13 H 1 1.79 0.03 . 1 . . . . . . . . 5567 1 956 . 1 1 101 101 ILE HG21 H 1 0.67 0.03 . 1 . . . . . . . . 5567 1 957 . 1 1 101 101 ILE HG22 H 1 0.67 0.03 . 1 . . . . . . . . 5567 1 958 . 1 1 101 101 ILE HG23 H 1 0.67 0.03 . 1 . . . . . . . . 5567 1 959 . 1 1 101 101 ILE HD11 H 1 0.67 0.03 . 1 . . . . . . . . 5567 1 960 . 1 1 101 101 ILE HD12 H 1 0.67 0.03 . 1 . . . . . . . . 5567 1 961 . 1 1 101 101 ILE HD13 H 1 0.67 0.03 . 1 . . . . . . . . 5567 1 962 . 1 1 101 101 ILE CA C 13 61.17 0.3 . 1 . . . . . . . . 5567 1 963 . 1 1 101 101 ILE CB C 13 37.85 0.3 . 1 . . . . . . . . 5567 1 964 . 1 1 101 101 ILE CG1 C 13 27.25 0.3 . 1 . . . . . . . . 5567 1 965 . 1 1 101 101 ILE CG2 C 13 18.30 0.3 . 1 . . . . . . . . 5567 1 966 . 1 1 101 101 ILE CD1 C 13 14.93 0.3 . 1 . . . . . . . . 5567 1 967 . 1 1 101 101 ILE N N 15 108.33 0.3 . 1 . . . . . . . . 5567 1 968 . 1 1 102 102 THR H H 1 9.50 0.03 . 1 . . . . . . . . 5567 1 969 . 1 1 102 102 THR HA H 1 5.13 0.03 . 1 . . . . . . . . 5567 1 970 . 1 1 102 102 THR HB H 1 3.93 0.03 . 1 . . . . . . . . 5567 1 971 . 1 1 102 102 THR HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 972 . 1 1 102 102 THR HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 973 . 1 1 102 102 THR HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5567 1 974 . 1 1 102 102 THR CA C 13 58.55 0.3 . 1 . . . . . . . . 5567 1 975 . 1 1 102 102 THR CB C 13 72.33 0.3 . 1 . . . . . . . . 5567 1 976 . 1 1 102 102 THR CG2 C 13 21.66 0.3 . 1 . . . . . . . . 5567 1 977 . 1 1 102 102 THR N N 15 119.26 0.3 . 1 . . . . . . . . 5567 1 978 . 1 1 103 103 ILE H H 1 7.97 0.03 . 1 . . . . . . . . 5567 1 979 . 1 1 103 103 ILE HA H 1 5.07 0.03 . 1 . . . . . . . . 5567 1 980 . 1 1 103 103 ILE HB H 1 2.06 0.03 . 1 . . . . . . . . 5567 1 981 . 1 1 103 103 ILE HG12 H 1 0.54 0.03 . 1 . . . . . . . . 5567 1 982 . 1 1 103 103 ILE HG21 H 1 0.41 0.03 . 1 . . . . . . . . 5567 1 983 . 1 1 103 103 ILE HG22 H 1 0.41 0.03 . 1 . . . . . . . . 5567 1 984 . 1 1 103 103 ILE HG23 H 1 0.41 0.03 . 1 . . . . . . . . 5567 1 985 . 1 1 103 103 ILE HD11 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 986 . 1 1 103 103 ILE HD12 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 987 . 1 1 103 103 ILE HD13 H 1 0.45 0.03 . 1 . . . . . . . . 5567 1 988 . 1 1 103 103 ILE CA C 13 58.89 0.3 . 1 . . . . . . . . 5567 1 989 . 1 1 103 103 ILE CB C 13 40.81 0.3 . 1 . . . . . . . . 5567 1 990 . 1 1 103 103 ILE CG2 C 13 17.89 0.3 . 1 . . . . . . . . 5567 1 991 . 1 1 103 103 ILE CD1 C 13 12.71 0.3 . 1 . . . . . . . . 5567 1 992 . 1 1 103 103 ILE N N 15 110.41 0.3 . 1 . . . . . . . . 5567 1 993 . 1 1 104 104 SER H H 1 8.50 0.03 . 1 . . . . . . . . 5567 1 994 . 1 1 104 104 SER HA H 1 4.96 0.03 . 1 . . . . . . . . 5567 1 995 . 1 1 104 104 SER HB2 H 1 4.15 0.03 . 1 . . . . . . . . 5567 1 996 . 1 1 104 104 SER HB3 H 1 4.23 0.03 . 1 . . . . . . . . 5567 1 997 . 1 1 104 104 SER CA C 13 57.82 0.3 . 1 . . . . . . . . 5567 1 998 . 1 1 104 104 SER CB C 13 64.48 0.3 . 1 . . . . . . . . 5567 1 999 . 1 1 104 104 SER N N 15 113.88 0.3 . 1 . . . . . . . . 5567 1 1000 . 1 1 105 105 TYR HA H 1 4.48 0.03 . 1 . . . . . . . . 5567 1 1001 . 1 1 105 105 TYR HB2 H 1 2.77 0.03 . 1 . . . . . . . . 5567 1 1002 . 1 1 105 105 TYR HB3 H 1 3.03 0.03 . 1 . . . . . . . . 5567 1 1003 . 1 1 105 105 TYR HD1 H 1 6.94 0.03 . 3 . . . . . . . . 5567 1 1004 . 1 1 105 105 TYR HE1 H 1 6.64 0.03 . 3 . . . . . . . . 5567 1 1005 . 1 1 105 105 TYR CA C 13 59.55 0.3 . 1 . . . . . . . . 5567 1 1006 . 1 1 105 105 TYR CB C 13 38.60 0.3 . 1 . . . . . . . . 5567 1 1007 . 1 1 105 105 TYR CD1 C 13 132.80 0.3 . 3 . . . . . . . . 5567 1 1008 . 1 1 105 105 TYR CE1 C 13 117.92 0.3 . 3 . . . . . . . . 5567 1 1009 . 1 1 106 106 GLY H H 1 8.47 0.03 . 1 . . . . . . . . 5567 1 1010 . 1 1 106 106 GLY HA3 H 1 4.15 0.03 . 1 . . . . . . . . 5567 1 1011 . 1 1 106 106 GLY CA C 13 44.97 0.3 . 1 . . . . . . . . 5567 1 1012 . 1 1 106 106 GLY N N 15 109.19 0.3 . 1 . . . . . . . . 5567 1 1013 . 1 1 107 107 ASP H H 1 8.40 0.03 . 1 . . . . . . . . 5567 1 1014 . 1 1 107 107 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 5567 1 1015 . 1 1 107 107 ASP HB3 H 1 2.75 0.03 . 1 . . . . . . . . 5567 1 1016 . 1 1 107 107 ASP CA C 13 54.89 0.3 . 1 . . . . . . . . 5567 1 1017 . 1 1 107 107 ASP CB C 13 41.31 0.3 . 1 . . . . . . . . 5567 1 1018 . 1 1 107 107 ASP N N 15 120.13 0.3 . 1 . . . . . . . . 5567 1 1019 . 1 1 108 108 ASP H H 1 8.43 0.03 . 1 . . . . . . . . 5567 1 1020 . 1 1 108 108 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 5567 1 1021 . 1 1 108 108 ASP HB3 H 1 2.69 0.03 . 1 . . . . . . . . 5567 1 1022 . 1 1 108 108 ASP CA C 13 54.44 0.3 . 1 . . . . . . . . 5567 1 1023 . 1 1 108 108 ASP CB C 13 40.68 0.3 . 1 . . . . . . . . 5567 1 1024 . 1 1 108 108 ASP N N 15 118.92 0.3 . 1 . . . . . . . . 5567 1 1025 . 1 1 109 109 TYR H H 1 7.95 0.03 . 1 . . . . . . . . 5567 1 1026 . 1 1 109 109 TYR HA H 1 4.33 0.03 . 1 . . . . . . . . 5567 1 1027 . 1 1 109 109 TYR HB2 H 1 2.75 0.03 . 1 . . . . . . . . 5567 1 1028 . 1 1 109 109 TYR HB3 H 1 2.99 0.03 . 1 . . . . . . . . 5567 1 1029 . 1 1 109 109 TYR HD1 H 1 6.63 0.03 . 3 . . . . . . . . 5567 1 1030 . 1 1 109 109 TYR HE1 H 1 6.53 0.03 . 3 . . . . . . . . 5567 1 1031 . 1 1 109 109 TYR CA C 13 59.30 0.3 . 1 . . . . . . . . 5567 1 1032 . 1 1 109 109 TYR CB C 13 38.84 0.3 . 1 . . . . . . . . 5567 1 1033 . 1 1 109 109 TYR CD1 C 13 133.02 0.3 . 3 . . . . . . . . 5567 1 1034 . 1 1 109 109 TYR CE1 C 13 117.92 0.3 . 3 . . . . . . . . 5567 1 1035 . 1 1 109 109 TYR N N 15 120.83 0.3 . 1 . . . . . . . . 5567 1 1036 . 1 1 110 110 TRP H H 1 7.86 0.03 . 1 . . . . . . . . 5567 1 1037 . 1 1 110 110 TRP HA H 1 4.52 0.03 . 1 . . . . . . . . 5567 1 1038 . 1 1 110 110 TRP HB2 H 1 3.20 0.03 . 1 . . . . . . . . 5567 1 1039 . 1 1 110 110 TRP HB3 H 1 3.38 0.03 . 1 . . . . . . . . 5567 1 1040 . 1 1 110 110 TRP HD1 H 1 7.25 0.03 . 1 . . . . . . . . 5567 1 1041 . 1 1 110 110 TRP HE3 H 1 7.59 0.03 . 1 . . . . . . . . 5567 1 1042 . 1 1 110 110 TRP HZ3 H 1 7.18 0.03 . 1 . . . . . . . . 5567 1 1043 . 1 1 110 110 TRP CA C 13 57.82 0.3 . 1 . . . . . . . . 5567 1 1044 . 1 1 110 110 TRP CB C 13 29.47 0.3 . 1 . . . . . . . . 5567 1 1045 . 1 1 110 110 TRP CD1 C 13 126.98 0.3 . 1 . . . . . . . . 5567 1 1046 . 1 1 110 110 TRP CE3 C 13 120.94 0.3 . 1 . . . . . . . . 5567 1 1047 . 1 1 110 110 TRP CZ3 C 13 122.19 0.3 . 1 . . . . . . . . 5567 1 1048 . 1 1 110 110 TRP N N 15 120.63 0.3 . 1 . . . . . . . . 5567 1 1049 . 1 1 111 111 LEU H H 1 7.59 0.03 . 1 . . . . . . . . 5567 1 1050 . 1 1 111 111 LEU HA H 1 4.25 0.03 . 1 . . . . . . . . 5567 1 1051 . 1 1 111 111 LEU HB2 H 1 1.46 0.03 . 1 . . . . . . . . 5567 1 1052 . 1 1 111 111 LEU HB3 H 1 1.57 0.03 . 1 . . . . . . . . 5567 1 1053 . 1 1 111 111 LEU HG H 1 1.47 0.03 . 1 . . . . . . . . 5567 1 1054 . 1 1 111 111 LEU HD11 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 1055 . 1 1 111 111 LEU HD12 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 1056 . 1 1 111 111 LEU HD13 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 1057 . 1 1 111 111 LEU HD21 H 1 0.84 0.03 . 1 . . . . . . . . 5567 1 1058 . 1 1 111 111 LEU HD22 H 1 0.84 0.03 . 1 . . . . . . . . 5567 1 1059 . 1 1 111 111 LEU HD23 H 1 0.84 0.03 . 1 . . . . . . . . 5567 1 1060 . 1 1 111 111 LEU CA C 13 55.70 0.3 . 1 . . . . . . . . 5567 1 1061 . 1 1 111 111 LEU CB C 13 42.34 0.3 . 1 . . . . . . . . 5567 1 1062 . 1 1 111 111 LEU CG C 13 26.76 0.3 . 1 . . . . . . . . 5567 1 1063 . 1 1 111 111 LEU CD1 C 13 25.03 0.3 . 1 . . . . . . . . 5567 1 1064 . 1 1 111 111 LEU CD2 C 13 23.80 0.3 . 1 . . . . . . . . 5567 1 1065 . 1 1 111 111 LEU N N 15 120.83 0.3 . 1 . . . . . . . . 5567 1 1066 . 1 1 112 112 SER H H 1 7.90 0.03 . 1 . . . . . . . . 5567 1 1067 . 1 1 112 112 SER HA H 1 4.43 0.03 . 1 . . . . . . . . 5567 1 1068 . 1 1 112 112 SER HB3 H 1 3.87 0.03 . 1 . . . . . . . . 5567 1 1069 . 1 1 112 112 SER CA C 13 58.16 0.3 . 1 . . . . . . . . 5567 1 1070 . 1 1 112 112 SER CB C 13 63.76 0.3 . 1 . . . . . . . . 5567 1 1071 . 1 1 112 112 SER N N 15 114.58 0.3 . 1 . . . . . . . . 5567 1 1072 . 1 1 113 113 ARG H H 1 7.77 0.03 . 1 . . . . . . . . 5567 1 1073 . 1 1 113 113 ARG HA H 1 4.66 0.03 . 1 . . . . . . . . 5567 1 1074 . 1 1 113 113 ARG CA C 13 53.74 0.3 . 1 . . . . . . . . 5567 1 1075 . 1 1 113 113 ARG CB C 13 30.05 0.3 . 1 . . . . . . . . 5567 1 1076 . 1 1 113 113 ARG N N 15 122.73 0.3 . 1 . . . . . . . . 5567 1 1077 . 1 1 115 115 ARG CA C 13 55.70 0.3 . 1 . . . . . . . . 5567 1 1078 . 1 1 115 115 ARG CB C 13 30.29 0.3 . 1 . . . . . . . . 5567 1 1079 . 1 1 116 116 LEU H H 1 8.30 0.03 . 1 . . . . . . . . 5567 1 1080 . 1 1 116 116 LEU HA H 1 4.48 0.03 . 1 . . . . . . . . 5567 1 1081 . 1 1 116 116 LEU HB2 H 1 1.71 0.03 . 1 . . . . . . . . 5567 1 1082 . 1 1 116 116 LEU HB3 H 1 1.74 0.03 . 1 . . . . . . . . 5567 1 1083 . 1 1 116 116 LEU HG H 1 1.69 0.03 . 1 . . . . . . . . 5567 1 1084 . 1 1 116 116 LEU HD11 H 1 0.96 0.03 . 1 . . . . . . . . 5567 1 1085 . 1 1 116 116 LEU HD12 H 1 0.96 0.03 . 1 . . . . . . . . 5567 1 1086 . 1 1 116 116 LEU HD13 H 1 0.96 0.03 . 1 . . . . . . . . 5567 1 1087 . 1 1 116 116 LEU HD21 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 1088 . 1 1 116 116 LEU HD22 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 1089 . 1 1 116 116 LEU HD23 H 1 0.90 0.03 . 1 . . . . . . . . 5567 1 1090 . 1 1 116 116 LEU CA C 13 55.35 0.3 . 1 . . . . . . . . 5567 1 1091 . 1 1 116 116 LEU CB C 13 42.29 0.3 . 1 . . . . . . . . 5567 1 1092 . 1 1 116 116 LEU CG C 13 28.24 0.3 . 1 . . . . . . . . 5567 1 1093 . 1 1 116 116 LEU CD1 C 13 25.16 0.3 . 1 . . . . . . . . 5567 1 1094 . 1 1 116 116 LEU CD2 C 13 23.55 0.3 . 1 . . . . . . . . 5567 1 1095 . 1 1 116 116 LEU N N 15 123.08 0.3 . 1 . . . . . . . . 5567 1 1096 . 1 1 117 117 THR H H 1 8.02 0.03 . 1 . . . . . . . . 5567 1 1097 . 1 1 117 117 THR HA H 1 4.46 0.03 . 1 . . . . . . . . 5567 1 1098 . 1 1 117 117 THR HB H 1 4.31 0.03 . 1 . . . . . . . . 5567 1 1099 . 1 1 117 117 THR HG21 H 1 1.26 0.03 . 1 . . . . . . . . 5567 1 1100 . 1 1 117 117 THR HG22 H 1 1.26 0.03 . 1 . . . . . . . . 5567 1 1101 . 1 1 117 117 THR HG23 H 1 1.26 0.03 . 1 . . . . . . . . 5567 1 1102 . 1 1 117 117 THR CA C 13 61.50 0.3 . 1 . . . . . . . . 5567 1 1103 . 1 1 117 117 THR CB C 13 69.90 0.3 . 1 . . . . . . . . 5567 1 1104 . 1 1 117 117 THR CG2 C 13 21.30 0.3 . 1 . . . . . . . . 5567 1 1105 . 1 1 117 117 THR N N 15 113.88 0.3 . 1 . . . . . . . . 5567 1 1106 . 1 1 118 118 GLN H H 1 8.35 0.03 . 1 . . . . . . . . 5567 1 1107 . 1 1 118 118 GLN HA H 1 4.46 0.03 . 1 . . . . . . . . 5567 1 1108 . 1 1 118 118 GLN HB2 H 1 2.06 0.03 . 1 . . . . . . . . 5567 1 1109 . 1 1 118 118 GLN HB3 H 1 2.21 0.03 . 1 . . . . . . . . 5567 1 1110 . 1 1 118 118 GLN HG3 H 1 2.41 0.03 . 1 . . . . . . . . 5567 1 1111 . 1 1 118 118 GLN CA C 13 55.81 0.3 . 1 . . . . . . . . 5567 1 1112 . 1 1 118 118 GLN CB C 13 29.72 0.3 . 1 . . . . . . . . 5567 1 1113 . 1 1 118 118 GLN CG C 13 33.88 0.3 . 1 . . . . . . . . 5567 1 1114 . 1 1 118 118 GLN N N 15 122.56 0.3 . 1 . . . . . . . . 5567 1 1115 . 1 1 119 119 ASN H H 1 8.07 0.03 . 1 . . . . . . . . 5567 1 1116 . 1 1 119 119 ASN HA H 1 4.62 0.03 . 1 . . . . . . . . 5567 1 1117 . 1 1 119 119 ASN HB3 H 1 2.70 0.03 . 1 . . . . . . . . 5567 1 1118 . 1 1 119 119 ASN CA C 13 54.80 0.3 . 1 . . . . . . . . 5567 1 1119 . 1 1 119 119 ASN CB C 13 41.00 0.3 . 1 . . . . . . . . 5567 1 1120 . 1 1 119 119 ASN N N 15 125.51 0.3 . 1 . . . . . . . . 5567 1 stop_ save_