data_16147 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16147 _Entry.Title ; NMR assignments of oxidised thioredoxin from Plasmodium falciparum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-29 _Entry.Accession_date 2009-01-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Claudia Munte . E. . 16147 2 Becker Katja . . . 16147 3 Schirmer Rolf . H. . 16147 4 Kalbitzer Hans . R. . 16147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 16147 '15N chemical shifts' 101 16147 '1H chemical shifts' 757 16147 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 3 . . 2009-11-12 2009-01-29 update BMRB 'complete entry citation' 16147 2 . . 2009-07-16 2009-01-29 update BMRB 'updated entry citation' 16147 1 . . 2009-05-13 2009-01-29 original author 'original release' 16147 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16147 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19888680 _Citation.Full_citation . _Citation.Title 'NMR assignments of oxidised thioredoxin from Plasmodium falciparum.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 159 _Citation.Page_last 161 _Citation.Year 2009 _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 'Claudia Elisabeth' Munte . . . 16147 1 2 Katja Becker . . . 16147 1 3 'Rolf Heiner' Schirmer . . . 16147 1 4 'Hans Robert' Kalbitzer . . . 16147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16147 _Assembly.ID 1 _Assembly.Name Trx _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Trx 1 $Trx A . yes native no no . . . 16147 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 41 41 SG . 1 . 1 CYS 44 44 SG 1 . 30 CYS SG 1 . 33 CYS SG 16147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Trx _Entity.Sf_category entity _Entity.Sf_framecode Trx _Entity.Entry_ID 16147 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Trx _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 ; MRGSHHHHHHGSVKIVTSQS EFDSIISQNELVIVDFFAEW CGPCKRIAPFYEECSKTYTK MVFIKVDVDEVSEVTEKENI TSMPTFKVYKNGSSVDTLLG ANDSALKQLIEKYAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1SYR . "Initial Structural Analysis Of Plasmodium Falciparum Thioredoxin" . . . . . 95.65 112 97.27 98.18 5.46e-72 . . . . 16147 1 2 no PDB 2MMN . "Solution Structure Of The Reduced Thioredoxin From Plasmodium Falciparum" . . . . . 90.43 104 100.00 100.00 1.16e-68 . . . . 16147 1 3 no PDB 2MMO . "Solution Structure Of The Oxidised Thioredoxin From Plasmodium Falciparum" . . . . . 90.43 104 100.00 100.00 1.16e-68 . . . . 16147 1 4 no PDB 4J56 . "Structure Of Plasmodium Falciparum Thioredoxin Reductase-thioredoxin Complex" . . . . . 99.13 114 98.25 99.12 2.30e-76 . . . . 16147 1 5 no PDB 4J57 . "Structure Of Plasmodium Falciparum Thioredoxin Reductase-thioredoxin Complex" . . . . . 99.13 114 98.25 99.12 2.30e-76 . . . . 16147 1 6 no EMBL CAB90828 . "thioredoxin [Plasmodium falciparum]" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 1 7 no EMBL CDO67036 . "thioredoxin 1 [Plasmodium reichenowi]" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 1 8 no GB AAF34541 . "thioredoxin 1 [Plasmodium falciparum]" . . . . . 89.57 104 99.03 99.03 5.10e-67 . . . . 16147 1 9 no GB AAN37158 . "thioredoxin, putative [Plasmodium falciparum 3D7]" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 1 10 no GB ETW15871 . "thioredoxin [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 1 11 no GB ETW28975 . "thioredoxin [Plasmodium falciparum FCH/4]" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 1 12 no GB ETW33689 . "thioredoxin [Plasmodium falciparum Tanzania (2000708)]" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 1 13 no REF XP_001348719 . "thioredoxin, putative [Plasmodium falciparum 3D7]" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 1 14 no REF XP_012765615 . "thioredoxin 1 [Plasmodium reichenowi]" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 1 15 no SP Q7KQL8 . "RecName: Full=Thioredoxin; Short=Trx" . . . . . 89.57 104 99.03 100.00 1.12e-67 . . . . 16147 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 -10 MET . 16147 1 2 -9 ARG . 16147 1 3 -8 GLY . 16147 1 4 -7 SER . 16147 1 5 -6 HIS . 16147 1 6 -5 HIS . 16147 1 7 -4 HIS . 16147 1 8 -3 HIS . 16147 1 9 -2 HIS . 16147 1 10 -1 HIS . 16147 1 11 0 GLY . 16147 1 12 1 SER . 16147 1 13 2 VAL . 16147 1 14 3 LYS . 16147 1 15 4 ILE . 16147 1 16 5 VAL . 16147 1 17 6 THR . 16147 1 18 7 SER . 16147 1 19 8 GLN . 16147 1 20 9 SER . 16147 1 21 10 GLU . 16147 1 22 11 PHE . 16147 1 23 12 ASP . 16147 1 24 13 SER . 16147 1 25 14 ILE . 16147 1 26 15 ILE . 16147 1 27 16 SER . 16147 1 28 17 GLN . 16147 1 29 18 ASN . 16147 1 30 19 GLU . 16147 1 31 20 LEU . 16147 1 32 21 VAL . 16147 1 33 22 ILE . 16147 1 34 23 VAL . 16147 1 35 24 ASP . 16147 1 36 25 PHE . 16147 1 37 26 PHE . 16147 1 38 27 ALA . 16147 1 39 28 GLU . 16147 1 40 29 TRP . 16147 1 41 30 CYS . 16147 1 42 31 GLY . 16147 1 43 32 PRO . 16147 1 44 33 CYS . 16147 1 45 34 LYS . 16147 1 46 35 ARG . 16147 1 47 36 ILE . 16147 1 48 37 ALA . 16147 1 49 38 PRO . 16147 1 50 39 PHE . 16147 1 51 40 TYR . 16147 1 52 41 GLU . 16147 1 53 42 GLU . 16147 1 54 43 CYS . 16147 1 55 44 SER . 16147 1 56 45 LYS . 16147 1 57 46 THR . 16147 1 58 47 TYR . 16147 1 59 48 THR . 16147 1 60 49 LYS . 16147 1 61 50 MET . 16147 1 62 51 VAL . 16147 1 63 52 PHE . 16147 1 64 53 ILE . 16147 1 65 54 LYS . 16147 1 66 55 VAL . 16147 1 67 56 ASP . 16147 1 68 57 VAL . 16147 1 69 58 ASP . 16147 1 70 59 GLU . 16147 1 71 60 VAL . 16147 1 72 61 SER . 16147 1 73 62 GLU . 16147 1 74 63 VAL . 16147 1 75 64 THR . 16147 1 76 65 GLU . 16147 1 77 66 LYS . 16147 1 78 67 GLU . 16147 1 79 68 ASN . 16147 1 80 69 ILE . 16147 1 81 70 THR . 16147 1 82 71 SER . 16147 1 83 72 MET . 16147 1 84 73 PRO . 16147 1 85 74 THR . 16147 1 86 75 PHE . 16147 1 87 76 LYS . 16147 1 88 77 VAL . 16147 1 89 78 TYR . 16147 1 90 79 LYS . 16147 1 91 80 ASN . 16147 1 92 81 GLY . 16147 1 93 82 SER . 16147 1 94 83 SER . 16147 1 95 84 VAL . 16147 1 96 85 ASP . 16147 1 97 86 THR . 16147 1 98 87 LEU . 16147 1 99 88 LEU . 16147 1 100 89 GLY . 16147 1 101 90 ALA . 16147 1 102 91 ASN . 16147 1 103 92 ASP . 16147 1 104 93 SER . 16147 1 105 94 ALA . 16147 1 106 95 LEU . 16147 1 107 96 LYS . 16147 1 108 97 GLN . 16147 1 109 98 LEU . 16147 1 110 99 ILE . 16147 1 111 100 GLU . 16147 1 112 101 LYS . 16147 1 113 102 TYR . 16147 1 114 103 ALA . 16147 1 115 104 ALA . 16147 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 16147 1 . ARG 2 2 16147 1 . GLY 3 3 16147 1 . SER 4 4 16147 1 . HIS 5 5 16147 1 . HIS 6 6 16147 1 . HIS 7 7 16147 1 . HIS 8 8 16147 1 . HIS 9 9 16147 1 . HIS 10 10 16147 1 . GLY 11 11 16147 1 . SER 12 12 16147 1 . VAL 13 13 16147 1 . LYS 14 14 16147 1 . ILE 15 15 16147 1 . VAL 16 16 16147 1 . THR 17 17 16147 1 . SER 18 18 16147 1 . GLN 19 19 16147 1 . SER 20 20 16147 1 . GLU 21 21 16147 1 . PHE 22 22 16147 1 . ASP 23 23 16147 1 . SER 24 24 16147 1 . ILE 25 25 16147 1 . ILE 26 26 16147 1 . SER 27 27 16147 1 . GLN 28 28 16147 1 . ASN 29 29 16147 1 . GLU 30 30 16147 1 . LEU 31 31 16147 1 . VAL 32 32 16147 1 . ILE 33 33 16147 1 . VAL 34 34 16147 1 . ASP 35 35 16147 1 . PHE 36 36 16147 1 . PHE 37 37 16147 1 . ALA 38 38 16147 1 . GLU 39 39 16147 1 . TRP 40 40 16147 1 . CYS 41 41 16147 1 . GLY 42 42 16147 1 . PRO 43 43 16147 1 . CYS 44 44 16147 1 . LYS 45 45 16147 1 . ARG 46 46 16147 1 . ILE 47 47 16147 1 . ALA 48 48 16147 1 . PRO 49 49 16147 1 . PHE 50 50 16147 1 . TYR 51 51 16147 1 . GLU 52 52 16147 1 . GLU 53 53 16147 1 . CYS 54 54 16147 1 . SER 55 55 16147 1 . LYS 56 56 16147 1 . THR 57 57 16147 1 . TYR 58 58 16147 1 . THR 59 59 16147 1 . LYS 60 60 16147 1 . MET 61 61 16147 1 . VAL 62 62 16147 1 . PHE 63 63 16147 1 . ILE 64 64 16147 1 . LYS 65 65 16147 1 . VAL 66 66 16147 1 . ASP 67 67 16147 1 . VAL 68 68 16147 1 . ASP 69 69 16147 1 . GLU 70 70 16147 1 . VAL 71 71 16147 1 . SER 72 72 16147 1 . GLU 73 73 16147 1 . VAL 74 74 16147 1 . THR 75 75 16147 1 . GLU 76 76 16147 1 . LYS 77 77 16147 1 . GLU 78 78 16147 1 . ASN 79 79 16147 1 . ILE 80 80 16147 1 . THR 81 81 16147 1 . SER 82 82 16147 1 . MET 83 83 16147 1 . PRO 84 84 16147 1 . THR 85 85 16147 1 . PHE 86 86 16147 1 . LYS 87 87 16147 1 . VAL 88 88 16147 1 . TYR 89 89 16147 1 . LYS 90 90 16147 1 . ASN 91 91 16147 1 . GLY 92 92 16147 1 . SER 93 93 16147 1 . SER 94 94 16147 1 . VAL 95 95 16147 1 . ASP 96 96 16147 1 . THR 97 97 16147 1 . LEU 98 98 16147 1 . LEU 99 99 16147 1 . GLY 100 100 16147 1 . ALA 101 101 16147 1 . ASN 102 102 16147 1 . ASP 103 103 16147 1 . SER 104 104 16147 1 . ALA 105 105 16147 1 . LEU 106 106 16147 1 . LYS 107 107 16147 1 . GLN 108 108 16147 1 . LEU 109 109 16147 1 . ILE 110 110 16147 1 . GLU 111 111 16147 1 . LYS 112 112 16147 1 . TYR 113 113 16147 1 . ALA 114 114 16147 1 . ALA 115 115 16147 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 16147 _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 $Trx . 5833 organism . 'Plasmodium falciparum' 'malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . . . . . . . . . 16147 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 16147 _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 $Trx . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE-30 . . . . . . 16147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16147 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Trx '[U-100% 13C; U-100% 15N]' . . 1 $Trx . . 1 . . mM . . . . 16147 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16147 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16147 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16147 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16147 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O / 8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Trx '[U-100% 13C; U-100% 15N]' . . 1 $Trx . . 1 . . mM . . . . 16147 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16147 2 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16147 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16147 2 5 D2O 'natural abundance' . . . . . . 8 . . % . . . . 16147 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16147 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O / 8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Trx 'natural abundance' . . 1 $Trx . . 1 . . mM . . . . 16147 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16147 3 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16147 3 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16147 3 5 D2O 'natural abundance' . . . . . . 8 . . % . . . . 16147 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16147 _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 7.0 . pH 16147 1 pressure 1 . atm 16147 1 temperature 293 . K 16147 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16147 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16147 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16147 1 stop_ save_ save_Auremol _Software.Sf_category software _Software.Sf_framecode Auremol _Software.Entry_ID 16147 _Software.ID 2 _Software.Name AUREMOL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16147 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16147 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16147 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16147 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 Cryoprobe . . 16147 1 2 spectrometer_2 Bruker DRX . 800 Cryoprobe . . 16147 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 16147 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16147 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16147 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16147 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16147 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16147 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16147 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16147 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16147 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16147 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16147 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16147 1 2 '3D HNCO' . . . 16147 1 3 '3D HNCA' . . . 16147 1 4 '3D HCCH-TOCSY' . . . 16147 1 5 '2D 1H-1H NOESY' . . . 16147 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 12 12 SER HA H 1 4.47 0.02 . 1 . . . . 1 SER HA . 16147 1 2 . 1 1 12 12 SER HB2 H 1 3.77 0.02 . 2 . . . . 1 SER HB2 . 16147 1 3 . 1 1 12 12 SER HB3 H 1 3.77 0.02 . 2 . . . . 1 SER HB3 . 16147 1 4 . 1 1 12 12 SER C C 13 173.84 0.05 . 1 . . . . 1 SER C . 16147 1 5 . 1 1 12 12 SER CA C 13 57.86 0.05 . 1 . . . . 1 SER CA . 16147 1 6 . 1 1 12 12 SER CB C 13 63.87 0.05 . 1 . . . . 1 SER CB . 16147 1 7 . 1 1 12 12 SER N N 15 114.8 0.1 . 1 . . . . 1 SER N . 16147 1 8 . 1 1 13 13 VAL H H 1 8.26 0.02 . 1 . . . . 2 VAL H . 16147 1 9 . 1 1 13 13 VAL HA H 1 4.19 0.02 . 1 . . . . 2 VAL HA . 16147 1 10 . 1 1 13 13 VAL HB H 1 2.02 0.02 . 1 . . . . 2 VAL HB . 16147 1 11 . 1 1 13 13 VAL HG11 H 1 0.92 0.02 . 1 . . . . 2 VAL HG1 . 16147 1 12 . 1 1 13 13 VAL HG12 H 1 0.92 0.02 . 1 . . . . 2 VAL HG1 . 16147 1 13 . 1 1 13 13 VAL HG13 H 1 0.92 0.02 . 1 . . . . 2 VAL HG1 . 16147 1 14 . 1 1 13 13 VAL HG21 H 1 0.86 0.02 . 1 . . . . 2 VAL HG2 . 16147 1 15 . 1 1 13 13 VAL HG22 H 1 0.86 0.02 . 1 . . . . 2 VAL HG2 . 16147 1 16 . 1 1 13 13 VAL HG23 H 1 0.86 0.02 . 1 . . . . 2 VAL HG2 . 16147 1 17 . 1 1 13 13 VAL C C 13 175.86 0.05 . 1 . . . . 2 VAL C . 16147 1 18 . 1 1 13 13 VAL CA C 13 62.23 0.05 . 1 . . . . 2 VAL CA . 16147 1 19 . 1 1 13 13 VAL CB C 13 32.43 0.05 . 1 . . . . 2 VAL CB . 16147 1 20 . 1 1 13 13 VAL CG1 C 13 21.22 0.05 . 1 . . . . 2 VAL CG1 . 16147 1 21 . 1 1 13 13 VAL CG2 C 13 20.67 0.05 . 1 . . . . 2 VAL CG2 . 16147 1 22 . 1 1 13 13 VAL N N 15 122.3 0.1 . 1 . . . . 2 VAL N . 16147 1 23 . 1 1 14 14 LYS H H 1 8.53 0.02 . 1 . . . . 3 LYS H . 16147 1 24 . 1 1 14 14 LYS HA H 1 4.35 0.02 . 1 . . . . 3 LYS HA . 16147 1 25 . 1 1 14 14 LYS HB2 H 1 1.75 0.02 . 1 . . . . 3 LYS HB2 . 16147 1 26 . 1 1 14 14 LYS HB3 H 1 1.79 0.02 . 1 . . . . 3 LYS HB3 . 16147 1 27 . 1 1 14 14 LYS HD2 H 1 1.57 0.02 . 2 . . . . 3 LYS HD2 . 16147 1 28 . 1 1 14 14 LYS HD3 H 1 1.57 0.02 . 2 . . . . 3 LYS HD3 . 16147 1 29 . 1 1 14 14 LYS HE2 H 1 2.92 0.02 . 1 . . . . 3 LYS HE2 . 16147 1 30 . 1 1 14 14 LYS HE3 H 1 2.95 0.02 . 1 . . . . 3 LYS HE3 . 16147 1 31 . 1 1 14 14 LYS HG2 H 1 1.31 0.02 . 1 . . . . 3 LYS HG2 . 16147 1 32 . 1 1 14 14 LYS HG3 H 1 1.34 0.02 . 1 . . . . 3 LYS HG3 . 16147 1 33 . 1 1 14 14 LYS C C 13 175.07 0.05 . 1 . . . . 3 LYS C . 16147 1 34 . 1 1 14 14 LYS CA C 13 55.4 0.05 . 1 . . . . 3 LYS CA . 16147 1 35 . 1 1 14 14 LYS CB C 13 33.52 0.05 . 1 . . . . 3 LYS CB . 16147 1 36 . 1 1 14 14 LYS CD C 13 28.33 0.05 . 1 . . . . 3 LYS CD . 16147 1 37 . 1 1 14 14 LYS CE C 13 41.45 0.05 . 1 . . . . 3 LYS CE . 16147 1 38 . 1 1 14 14 LYS CG C 13 24.5 0.05 . 1 . . . . 3 LYS CG . 16147 1 39 . 1 1 14 14 LYS N N 15 129.7 0.1 . 1 . . . . 3 LYS N . 16147 1 40 . 1 1 15 15 ILE H H 1 8.59 0.02 . 1 . . . . 4 ILE H . 16147 1 41 . 1 1 15 15 ILE HA H 1 4.54 0.02 . 1 . . . . 4 ILE HA . 16147 1 42 . 1 1 15 15 ILE HB H 1 1.78 0.02 . 1 . . . . 4 ILE HB . 16147 1 43 . 1 1 15 15 ILE HD11 H 1 0.9 0.02 . 4 . . . . 4 ILE HD1 . 16147 1 44 . 1 1 15 15 ILE HD12 H 1 0.9 0.02 . 4 . . . . 4 ILE HD1 . 16147 1 45 . 1 1 15 15 ILE HD13 H 1 0.9 0.02 . 4 . . . . 4 ILE HD1 . 16147 1 46 . 1 1 15 15 ILE HG12 H 1 0.93 0.02 . 1 . . . . 4 ILE HG12 . 16147 1 47 . 1 1 15 15 ILE HG13 H 1 1.64 0.02 . 1 . . . . 4 ILE HG13 . 16147 1 48 . 1 1 15 15 ILE HG21 H 1 0.9 0.02 . 4 . . . . 4 ILE HG2 . 16147 1 49 . 1 1 15 15 ILE HG22 H 1 0.9 0.02 . 4 . . . . 4 ILE HG2 . 16147 1 50 . 1 1 15 15 ILE HG23 H 1 0.9 0.02 . 4 . . . . 4 ILE HG2 . 16147 1 51 . 1 1 15 15 ILE C C 13 175.88 0.05 . 1 . . . . 4 ILE C . 16147 1 52 . 1 1 15 15 ILE CA C 13 60.32 0.05 . 1 . . . . 4 ILE CA . 16147 1 53 . 1 1 15 15 ILE CB C 13 38.45 0.05 . 1 . . . . 4 ILE CB . 16147 1 54 . 1 1 15 15 ILE CD1 C 13 13.56 0.05 . 1 . . . . 4 ILE CD1 . 16147 1 55 . 1 1 15 15 ILE CG1 C 13 28.6 0.05 . 1 . . . . 4 ILE CG1 . 16147 1 56 . 1 1 15 15 ILE CG2 C 13 17.66 0.05 . 1 . . . . 4 ILE CG2 . 16147 1 57 . 1 1 15 15 ILE N N 15 126.4 0.1 . 1 . . . . 4 ILE N . 16147 1 58 . 1 1 16 16 VAL H H 1 8.41 0.02 . 1 . . . . 5 VAL H . 16147 1 59 . 1 1 16 16 VAL HA H 1 4.38 0.02 . 1 . . . . 5 VAL HA . 16147 1 60 . 1 1 16 16 VAL HB H 1 2.03 0.02 . 1 . . . . 5 VAL HB . 16147 1 61 . 1 1 16 16 VAL HG11 H 1 0.97 0.02 . 1 . . . . 5 VAL HG1 . 16147 1 62 . 1 1 16 16 VAL HG12 H 1 0.97 0.02 . 1 . . . . 5 VAL HG1 . 16147 1 63 . 1 1 16 16 VAL HG13 H 1 0.97 0.02 . 1 . . . . 5 VAL HG1 . 16147 1 64 . 1 1 16 16 VAL HG21 H 1 1.12 0.02 . 1 . . . . 5 VAL HG2 . 16147 1 65 . 1 1 16 16 VAL HG22 H 1 1.12 0.02 . 1 . . . . 5 VAL HG2 . 16147 1 66 . 1 1 16 16 VAL HG23 H 1 1.12 0.02 . 1 . . . . 5 VAL HG2 . 16147 1 67 . 1 1 16 16 VAL C C 13 176.4 0.05 . 1 . . . . 5 VAL C . 16147 1 68 . 1 1 16 16 VAL CA C 13 61.41 0.05 . 1 . . . . 5 VAL CA . 16147 1 69 . 1 1 16 16 VAL CB C 13 32.98 0.05 . 1 . . . . 5 VAL CB . 16147 1 70 . 1 1 16 16 VAL CG1 C 13 23.13 0.05 . 1 . . . . 5 VAL CG1 . 16147 1 71 . 1 1 16 16 VAL CG2 C 13 22.31 0.05 . 1 . . . . 5 VAL CG2 . 16147 1 72 . 1 1 16 16 VAL N N 15 128.1 0.1 . 1 . . . . 5 VAL N . 16147 1 73 . 1 1 17 17 THR H H 1 8.69 0.02 . 1 . . . . 6 THR H . 16147 1 74 . 1 1 17 17 THR HA H 1 4.46 0.02 . 1 . . . . 6 THR HA . 16147 1 75 . 1 1 17 17 THR HB H 1 4.6 0.02 . 1 . . . . 6 THR HB . 16147 1 76 . 1 1 17 17 THR HG21 H 1 1.19 0.02 . 1 . . . . 6 THR HG2 . 16147 1 77 . 1 1 17 17 THR HG22 H 1 1.19 0.02 . 1 . . . . 6 THR HG2 . 16147 1 78 . 1 1 17 17 THR HG23 H 1 1.19 0.02 . 1 . . . . 6 THR HG2 . 16147 1 79 . 1 1 17 17 THR C C 13 173.67 0.05 . 1 . . . . 6 THR C . 16147 1 80 . 1 1 17 17 THR CA C 13 61.41 0.05 . 1 . . . . 6 THR CA . 16147 1 81 . 1 1 17 17 THR CB C 13 69.62 0.05 . 1 . . . . 6 THR CB . 16147 1 82 . 1 1 17 17 THR CG2 C 13 21.22 0.05 . 1 . . . . 6 THR CG2 . 16147 1 83 . 1 1 17 17 THR N N 15 112.6 0.1 . 1 . . . . 6 THR N . 16147 1 84 . 1 1 18 18 SER H H 1 7.5 0.02 . 1 . . . . 7 SER H . 16147 1 85 . 1 1 18 18 SER HA H 1 4.83 0.02 . 1 . . . . 7 SER HA . 16147 1 86 . 1 1 18 18 SER HB2 H 1 4.05 0.02 . 1 . . . . 7 SER HB2 . 16147 1 87 . 1 1 18 18 SER HB3 H 1 4.22 0.02 . 1 . . . . 7 SER HB3 . 16147 1 88 . 1 1 18 18 SER C C 13 173.66 0.05 . 1 . . . . 7 SER C . 16147 1 89 . 1 1 18 18 SER CA C 13 57.04 0.05 . 1 . . . . 7 SER CA . 16147 1 90 . 1 1 18 18 SER CB C 13 66.34 0.05 . 1 . . . . 7 SER CB . 16147 1 91 . 1 1 18 18 SER N N 15 112.7 0.1 . 1 . . . . 7 SER N . 16147 1 92 . 1 1 19 19 GLN H H 1 9.5 0.02 . 1 . . . . 8 GLN H . 16147 1 93 . 1 1 19 19 GLN HA H 1 3.79 0.02 . 1 . . . . 8 GLN HA . 16147 1 94 . 1 1 19 19 GLN HB2 H 1 1.95 0.02 . 1 . . . . 8 GLN HB2 . 16147 1 95 . 1 1 19 19 GLN HB3 H 1 2.1 0.02 . 1 . . . . 8 GLN HB3 . 16147 1 96 . 1 1 19 19 GLN HE21 H 1 6.56 0.02 . 1 . . . . 8 GLN HE21 . 16147 1 97 . 1 1 19 19 GLN HE22 H 1 7.87 0.02 . 1 . . . . 8 GLN HE22 . 16147 1 98 . 1 1 19 19 GLN HG2 H 1 2.2 0.02 . 1 . . . . 8 GLN HG2 . 16147 1 99 . 1 1 19 19 GLN HG3 H 1 2.36 0.02 . 1 . . . . 8 GLN HG3 . 16147 1 100 . 1 1 19 19 GLN C C 13 177.01 0.05 . 1 . . . . 8 GLN C . 16147 1 101 . 1 1 19 19 GLN CA C 13 58.41 0.05 . 1 . . . . 8 GLN CA . 16147 1 102 . 1 1 19 19 GLN CB C 13 28.05 0.05 . 1 . . . . 8 GLN CB . 16147 1 103 . 1 1 19 19 GLN CG C 13 32.98 0.05 . 1 . . . . 8 GLN CG . 16147 1 104 . 1 1 19 19 GLN N N 15 123.7 0.1 . 1 . . . . 8 GLN N . 16147 1 105 . 1 1 20 20 SER H H 1 8.71 0.02 . 1 . . . . 9 SER H . 16147 1 106 . 1 1 20 20 SER HA H 1 4.26 0.02 . 1 . . . . 9 SER HA . 16147 1 107 . 1 1 20 20 SER HB2 H 1 3.88 0.02 . 1 . . . . 9 SER HB2 . 16147 1 108 . 1 1 20 20 SER HB3 H 1 3.91 0.02 . 1 . . . . 9 SER HB3 . 16147 1 109 . 1 1 20 20 SER C C 13 177.57 0.05 . 1 . . . . 9 SER C . 16147 1 110 . 1 1 20 20 SER CA C 13 61.14 0.05 . 1 . . . . 9 SER CA . 16147 1 111 . 1 1 20 20 SER CB C 13 61.69 0.05 . 1 . . . . 9 SER CB . 16147 1 112 . 1 1 20 20 SER N N 15 114 0.1 . 1 . . . . 9 SER N . 16147 1 113 . 1 1 21 21 GLU H H 1 7.87 0.02 . 1 . . . . 10 GLU H . 16147 1 114 . 1 1 21 21 GLU HA H 1 4.05 0.02 . 1 . . . . 10 GLU HA . 16147 1 115 . 1 1 21 21 GLU HB2 H 1 2.02 0.02 . 1 . . . . 10 GLU HB2 . 16147 1 116 . 1 1 21 21 GLU HB3 H 1 2.15 0.02 . 1 . . . . 10 GLU HB3 . 16147 1 117 . 1 1 21 21 GLU HG2 H 1 2.36 0.02 . 2 . . . . 10 GLU HG2 . 16147 1 118 . 1 1 21 21 GLU HG3 H 1 2.36 0.02 . 2 . . . . 10 GLU HG3 . 16147 1 119 . 1 1 21 21 GLU C C 13 177.7 0.05 . 1 . . . . 10 GLU C . 16147 1 120 . 1 1 21 21 GLU CA C 13 58.95 0.05 . 1 . . . . 10 GLU CA . 16147 1 121 . 1 1 21 21 GLU CB C 13 29.7 0.05 . 1 . . . . 10 GLU CB . 16147 1 122 . 1 1 21 21 GLU CG C 13 36.26 0.05 . 1 . . . . 10 GLU CG . 16147 1 123 . 1 1 21 21 GLU N N 15 123.6 0.1 . 1 . . . . 10 GLU N . 16147 1 124 . 1 1 22 22 PHE H H 1 7.93 0.02 . 1 . . . . 11 PHE H . 16147 1 125 . 1 1 22 22 PHE HA H 1 3.68 0.02 . 1 . . . . 11 PHE HA . 16147 1 126 . 1 1 22 22 PHE HB2 H 1 2.9 0.02 . 1 . . . . 11 PHE HB2 . 16147 1 127 . 1 1 22 22 PHE HB3 H 1 3.39 0.02 . 1 . . . . 11 PHE HB3 . 16147 1 128 . 1 1 22 22 PHE HD1 H 1 7.05 0.02 . 3 . . . . 11 PHE HD1 . 16147 1 129 . 1 1 22 22 PHE HD2 H 1 7.05 0.02 . 3 . . . . 11 PHE HD2 . 16147 1 130 . 1 1 22 22 PHE HE1 H 1 7.09 0.02 . 3 . . . . 11 PHE HE1 . 16147 1 131 . 1 1 22 22 PHE HE2 H 1 7.09 0.02 . 3 . . . . 11 PHE HE2 . 16147 1 132 . 1 1 22 22 PHE HZ H 1 7.47 0.02 . 1 . . . . 11 PHE HZ . 16147 1 133 . 1 1 22 22 PHE C C 13 175.43 0.05 . 1 . . . . 11 PHE C . 16147 1 134 . 1 1 22 22 PHE CA C 13 62.51 0.05 . 1 . . . . 11 PHE CA . 16147 1 135 . 1 1 22 22 PHE CB C 13 39.27 0.05 . 1 . . . . 11 PHE CB . 16147 1 136 . 1 1 22 22 PHE N N 15 120.7 0.1 . 1 . . . . 11 PHE N . 16147 1 137 . 1 1 23 23 ASP H H 1 8.85 0.02 . 1 . . . . 12 ASP H . 16147 1 138 . 1 1 23 23 ASP HA H 1 4.19 0.02 . 1 . . . . 12 ASP HA . 16147 1 139 . 1 1 23 23 ASP HB2 H 1 2.63 0.02 . 1 . . . . 12 ASP HB2 . 16147 1 140 . 1 1 23 23 ASP HB3 H 1 2.69 0.02 . 1 . . . . 12 ASP HB3 . 16147 1 141 . 1 1 23 23 ASP C C 13 179.85 0.05 . 1 . . . . 12 ASP C . 16147 1 142 . 1 1 23 23 ASP CA C 13 56.77 0.05 . 1 . . . . 12 ASP CA . 16147 1 143 . 1 1 23 23 ASP CB C 13 39.81 0.05 . 1 . . . . 12 ASP CB . 16147 1 144 . 1 1 23 23 ASP N N 15 117.2 0.1 . 1 . . . . 12 ASP N . 16147 1 145 . 1 1 24 24 SER H H 1 7.96 0.02 . 1 . . . . 13 SER H . 16147 1 146 . 1 1 24 24 SER HA H 1 4.11 0.02 . 1 . . . . 13 SER HA . 16147 1 147 . 1 1 24 24 SER HB2 H 1 3.97 0.02 . 1 . . . . 13 SER HB2 . 16147 1 148 . 1 1 24 24 SER HB3 H 1 3.91 0.02 . 1 . . . . 13 SER HB3 . 16147 1 149 . 1 1 24 24 SER C C 13 175.68 0.05 . 1 . . . . 13 SER C . 16147 1 150 . 1 1 24 24 SER CA C 13 61.41 0.05 . 1 . . . . 13 SER CA . 16147 1 151 . 1 1 24 24 SER CB C 13 62.51 0.05 . 1 . . . . 13 SER CB . 16147 1 152 . 1 1 24 24 SER N N 15 116.4 0.1 . 1 . . . . 13 SER N . 16147 1 153 . 1 1 25 25 ILE H H 1 8 0.02 . 1 . . . . 14 ILE H . 16147 1 154 . 1 1 25 25 ILE HA H 1 3.51 0.02 . 1 . . . . 14 ILE HA . 16147 1 155 . 1 1 25 25 ILE HB H 1 1.66 0.02 . 1 . . . . 14 ILE HB . 16147 1 156 . 1 1 25 25 ILE HD11 H 1 0.75 0.02 . 1 . . . . 14 ILE HD1 . 16147 1 157 . 1 1 25 25 ILE HD12 H 1 0.75 0.02 . 1 . . . . 14 ILE HD1 . 16147 1 158 . 1 1 25 25 ILE HD13 H 1 0.75 0.02 . 1 . . . . 14 ILE HD1 . 16147 1 159 . 1 1 25 25 ILE HG12 H 1 1.06 0.02 . 1 . . . . 14 ILE HG12 . 16147 1 160 . 1 1 25 25 ILE HG13 H 1 1.72 0.02 . 1 . . . . 14 ILE HG13 . 16147 1 161 . 1 1 25 25 ILE HG21 H 1 0.69 0.02 . 1 . . . . 14 ILE HG2 . 16147 1 162 . 1 1 25 25 ILE HG22 H 1 0.69 0.02 . 1 . . . . 14 ILE HG2 . 16147 1 163 . 1 1 25 25 ILE HG23 H 1 0.69 0.02 . 1 . . . . 14 ILE HG2 . 16147 1 164 . 1 1 25 25 ILE C C 13 179.34 0.05 . 1 . . . . 14 ILE C . 16147 1 165 . 1 1 25 25 ILE CA C 13 64.42 0.05 . 1 . . . . 14 ILE CA . 16147 1 166 . 1 1 25 25 ILE CB C 13 37.35 0.05 . 1 . . . . 14 ILE CB . 16147 1 167 . 1 1 25 25 ILE CD1 C 13 13.84 0.05 . 1 . . . . 14 ILE CD1 . 16147 1 168 . 1 1 25 25 ILE CG1 C 13 28.87 0.05 . 1 . . . . 14 ILE CG1 . 16147 1 169 . 1 1 25 25 ILE CG2 C 13 17.12 0.05 . 1 . . . . 14 ILE CG2 . 16147 1 170 . 1 1 25 25 ILE N N 15 121.7 0.1 . 1 . . . . 14 ILE N . 16147 1 171 . 1 1 26 26 ILE H H 1 7.66 0.02 . 1 . . . . 15 ILE H . 16147 1 172 . 1 1 26 26 ILE HA H 1 3.6 0.02 . 1 . . . . 15 ILE HA . 16147 1 173 . 1 1 26 26 ILE HB H 1 1.47 0.02 . 1 . . . . 15 ILE HB . 16147 1 174 . 1 1 26 26 ILE HD11 H 1 -0.35 0.02 . 1 . . . . 15 ILE HD1 . 16147 1 175 . 1 1 26 26 ILE HD12 H 1 -0.35 0.02 . 1 . . . . 15 ILE HD1 . 16147 1 176 . 1 1 26 26 ILE HD13 H 1 -0.35 0.02 . 1 . . . . 15 ILE HD1 . 16147 1 177 . 1 1 26 26 ILE HG12 H 1 0.5 0.02 . 1 . . . . 15 ILE HG12 . 16147 1 178 . 1 1 26 26 ILE HG13 H 1 0.52 0.02 . 1 . . . . 15 ILE HG13 . 16147 1 179 . 1 1 26 26 ILE HG21 H 1 0.22 0.02 . 1 . . . . 15 ILE HG2 . 16147 1 180 . 1 1 26 26 ILE HG22 H 1 0.22 0.02 . 1 . . . . 15 ILE HG2 . 16147 1 181 . 1 1 26 26 ILE HG23 H 1 0.22 0.02 . 1 . . . . 15 ILE HG2 . 16147 1 182 . 1 1 26 26 ILE C C 13 176.98 0.05 . 1 . . . . 15 ILE C . 16147 1 183 . 1 1 26 26 ILE CA C 13 63.33 0.05 . 1 . . . . 15 ILE CA . 16147 1 184 . 1 1 26 26 ILE CB C 13 36.53 0.05 . 1 . . . . 15 ILE CB . 16147 1 185 . 1 1 26 26 ILE CD1 C 13 11.1 0.05 . 1 . . . . 15 ILE CD1 . 16147 1 186 . 1 1 26 26 ILE CG1 C 13 27.51 0.05 . 1 . . . . 15 ILE CG1 . 16147 1 187 . 1 1 26 26 ILE CG2 C 13 17.39 0.05 . 1 . . . . 15 ILE CG2 . 16147 1 188 . 1 1 26 26 ILE N N 15 116.9 0.1 . 1 . . . . 15 ILE N . 16147 1 189 . 1 1 27 27 SER H H 1 7.65 0.02 . 1 . . . . 16 SER H . 16147 1 190 . 1 1 27 27 SER HA H 1 4.26 0.02 . 1 . . . . 16 SER HA . 16147 1 191 . 1 1 27 27 SER HB2 H 1 3.94 0.02 . 1 . . . . 16 SER HB2 . 16147 1 192 . 1 1 27 27 SER HB3 H 1 3.98 0.02 . 1 . . . . 16 SER HB3 . 16147 1 193 . 1 1 27 27 SER C C 13 176.52 0.05 . 1 . . . . 16 SER C . 16147 1 194 . 1 1 27 27 SER CA C 13 59.77 0.05 . 1 . . . . 16 SER CA . 16147 1 195 . 1 1 27 27 SER CB C 13 63.33 0.05 . 1 . . . . 16 SER CB . 16147 1 196 . 1 1 27 27 SER N N 15 111.4 0.1 . 1 . . . . 16 SER N . 16147 1 197 . 1 1 28 28 GLN H H 1 7.46 0.02 . 1 . . . . 17 GLN H . 16147 1 198 . 1 1 28 28 GLN HA H 1 4.38 0.02 . 1 . . . . 17 GLN HA . 16147 1 199 . 1 1 28 28 GLN HB2 H 1 1.88 0.02 . 1 . . . . 17 GLN HB2 . 16147 1 200 . 1 1 28 28 GLN HB3 H 1 2.19 0.02 . 1 . . . . 17 GLN HB3 . 16147 1 201 . 1 1 28 28 GLN HE21 H 1 7.36 0.02 . 1 . . . . 17 GLN HE21 . 16147 1 202 . 1 1 28 28 GLN HE22 H 1 6.78 0.02 . 1 . . . . 17 GLN HE22 . 16147 1 203 . 1 1 28 28 GLN HG2 H 1 2.34 0.02 . 1 . . . . 17 GLN HG2 . 16147 1 204 . 1 1 28 28 GLN HG3 H 1 2.54 0.02 . 1 . . . . 17 GLN HG3 . 16147 1 205 . 1 1 28 28 GLN C C 13 174.95 0.05 . 1 . . . . 17 GLN C . 16147 1 206 . 1 1 28 28 GLN CA C 13 55.94 0.05 . 1 . . . . 17 GLN CA . 16147 1 207 . 1 1 28 28 GLN CB C 13 29.7 0.05 . 1 . . . . 17 GLN CB . 16147 1 208 . 1 1 28 28 GLN CG C 13 34.07 0.05 . 1 . . . . 17 GLN CG . 16147 1 209 . 1 1 28 28 GLN N N 15 117.1 0.1 . 1 . . . . 17 GLN N . 16147 1 210 . 1 1 29 29 ASN H H 1 7.04 0.02 . 1 . . . . 18 ASN H . 16147 1 211 . 1 1 29 29 ASN HA H 1 5 0.02 . 1 . . . . 18 ASN HA . 16147 1 212 . 1 1 29 29 ASN HB2 H 1 2.34 0.02 . 1 . . . . 18 ASN HB2 . 16147 1 213 . 1 1 29 29 ASN HB3 H 1 2.38 0.02 . 1 . . . . 18 ASN HB3 . 16147 1 214 . 1 1 29 29 ASN HD21 H 1 8.64 0.02 . 1 . . . . 18 ASN HD21 . 16147 1 215 . 1 1 29 29 ASN HD22 H 1 7.63 0.02 . 1 . . . . 18 ASN HD22 . 16147 1 216 . 1 1 29 29 ASN C C 13 173.49 0.05 . 1 . . . . 18 ASN C . 16147 1 217 . 1 1 29 29 ASN CA C 13 52.12 0.05 . 1 . . . . 18 ASN CA . 16147 1 218 . 1 1 29 29 ASN CB C 13 42.27 0.05 . 1 . . . . 18 ASN CB . 16147 1 219 . 1 1 29 29 ASN N N 15 116.2 0.1 . 1 . . . . 18 ASN N . 16147 1 220 . 1 1 30 30 GLU H H 1 9.03 0.02 . 1 . . . . 19 GLU H . 16147 1 221 . 1 1 30 30 GLU HA H 1 4 0.02 . 1 . . . . 19 GLU HA . 16147 1 222 . 1 1 30 30 GLU HB2 H 1 2.1 0.02 . 1 . . . . 19 GLU HB2 . 16147 1 223 . 1 1 30 30 GLU HB3 H 1 2.19 0.02 . 1 . . . . 19 GLU HB3 . 16147 1 224 . 1 1 30 30 GLU HG2 H 1 2.31 0.02 . 1 . . . . 19 GLU HG2 . 16147 1 225 . 1 1 30 30 GLU HG3 H 1 2.46 0.02 . 1 . . . . 19 GLU HG3 . 16147 1 226 . 1 1 30 30 GLU C C 13 176.07 0.05 . 1 . . . . 19 GLU C . 16147 1 227 . 1 1 30 30 GLU CA C 13 59.77 0.05 . 1 . . . . 19 GLU CA . 16147 1 228 . 1 1 30 30 GLU CB C 13 29.97 0.05 . 1 . . . . 19 GLU CB . 16147 1 229 . 1 1 30 30 GLU CG C 13 35.71 0.05 . 1 . . . . 19 GLU CG . 16147 1 230 . 1 1 30 30 GLU N N 15 123.1 0.1 . 1 . . . . 19 GLU N . 16147 1 231 . 1 1 31 31 LEU H H 1 8.35 0.02 . 1 . . . . 20 LEU H . 16147 1 232 . 1 1 31 31 LEU HA H 1 5.46 0.02 . 1 . . . . 20 LEU HA . 16147 1 233 . 1 1 31 31 LEU HB2 H 1 1.66 0.02 . 2 . . . . 20 LEU HB2 . 16147 1 234 . 1 1 31 31 LEU HB3 H 1 1.66 0.02 . 2 . . . . 20 LEU HB3 . 16147 1 235 . 1 1 31 31 LEU HD11 H 1 0.93 0.02 . 1 . . . . 20 LEU HD1 . 16147 1 236 . 1 1 31 31 LEU HD12 H 1 0.93 0.02 . 1 . . . . 20 LEU HD1 . 16147 1 237 . 1 1 31 31 LEU HD13 H 1 0.93 0.02 . 1 . . . . 20 LEU HD1 . 16147 1 238 . 1 1 31 31 LEU HD21 H 1 0.89 0.02 . 1 . . . . 20 LEU HD2 . 16147 1 239 . 1 1 31 31 LEU HD22 H 1 0.89 0.02 . 1 . . . . 20 LEU HD2 . 16147 1 240 . 1 1 31 31 LEU HD23 H 1 0.89 0.02 . 1 . . . . 20 LEU HD2 . 16147 1 241 . 1 1 31 31 LEU HG H 1 1.44 0.02 . 1 . . . . 20 LEU HG . 16147 1 242 . 1 1 31 31 LEU C C 13 175.36 0.05 . 1 . . . . 20 LEU C . 16147 1 243 . 1 1 31 31 LEU CA C 13 53.76 0.05 . 1 . . . . 20 LEU CA . 16147 1 244 . 1 1 31 31 LEU CB C 13 45.55 0.05 . 1 . . . . 20 LEU CB . 16147 1 245 . 1 1 31 31 LEU CD1 C 13 24.77 0.05 . 1 . . . . 20 LEU CD1 . 16147 1 246 . 1 1 31 31 LEU CD2 C 13 24.23 0.05 . 1 . . . . 20 LEU CD2 . 16147 1 247 . 1 1 31 31 LEU CG C 13 27.23 0.05 . 1 . . . . 20 LEU CG . 16147 1 248 . 1 1 31 31 LEU N N 15 118.7 0.1 . 1 . . . . 20 LEU N . 16147 1 249 . 1 1 32 32 VAL H H 1 9 0.02 . 1 . . . . 21 VAL H . 16147 1 250 . 1 1 32 32 VAL HA H 1 5.06 0.02 . 1 . . . . 21 VAL HA . 16147 1 251 . 1 1 32 32 VAL HB H 1 1.73 0.02 . 1 . . . . 21 VAL HB . 16147 1 252 . 1 1 32 32 VAL HG11 H 1 0.71 0.02 . 1 . . . . 21 VAL HG1 . 16147 1 253 . 1 1 32 32 VAL HG12 H 1 0.71 0.02 . 1 . . . . 21 VAL HG1 . 16147 1 254 . 1 1 32 32 VAL HG13 H 1 0.71 0.02 . 1 . . . . 21 VAL HG1 . 16147 1 255 . 1 1 32 32 VAL HG21 H 1 0.61 0.02 . 1 . . . . 21 VAL HG2 . 16147 1 256 . 1 1 32 32 VAL HG22 H 1 0.61 0.02 . 1 . . . . 21 VAL HG2 . 16147 1 257 . 1 1 32 32 VAL HG23 H 1 0.61 0.02 . 1 . . . . 21 VAL HG2 . 16147 1 258 . 1 1 32 32 VAL C C 13 173.19 0.05 . 1 . . . . 21 VAL C . 16147 1 259 . 1 1 32 32 VAL CA C 13 59.77 0.05 . 1 . . . . 21 VAL CA . 16147 1 260 . 1 1 32 32 VAL CB C 13 37.08 0.05 . 1 . . . . 21 VAL CB . 16147 1 261 . 1 1 32 32 VAL CG1 C 13 22.59 0.05 . 1 . . . . 21 VAL CG1 . 16147 1 262 . 1 1 32 32 VAL CG2 C 13 21.22 0.05 . 1 . . . . 21 VAL CG2 . 16147 1 263 . 1 1 32 32 VAL N N 15 127.3 0.1 . 1 . . . . 21 VAL N . 16147 1 264 . 1 1 33 33 ILE H H 1 9.34 0.02 . 1 . . . . 22 ILE H . 16147 1 265 . 1 1 33 33 ILE HA H 1 5.52 0.02 . 1 . . . . 22 ILE HA . 16147 1 266 . 1 1 33 33 ILE HB H 1 1.59 0.02 . 1 . . . . 22 ILE HB . 16147 1 267 . 1 1 33 33 ILE HD11 H 1 0.61 0.02 . 1 . . . . 22 ILE HD1 . 16147 1 268 . 1 1 33 33 ILE HD12 H 1 0.61 0.02 . 1 . . . . 22 ILE HD1 . 16147 1 269 . 1 1 33 33 ILE HD13 H 1 0.61 0.02 . 1 . . . . 22 ILE HD1 . 16147 1 270 . 1 1 33 33 ILE HG12 H 1 1.42 0.02 . 1 . . . . 22 ILE HG12 . 16147 1 271 . 1 1 33 33 ILE HG13 H 1 1.59 0.02 . 1 . . . . 22 ILE HG13 . 16147 1 272 . 1 1 33 33 ILE HG21 H 1 0.14 0.02 . 1 . . . . 22 ILE HG2 . 16147 1 273 . 1 1 33 33 ILE HG22 H 1 0.14 0.02 . 1 . . . . 22 ILE HG2 . 16147 1 274 . 1 1 33 33 ILE HG23 H 1 0.14 0.02 . 1 . . . . 22 ILE HG2 . 16147 1 275 . 1 1 33 33 ILE C C 13 171.64 0.05 . 1 . . . . 22 ILE C . 16147 1 276 . 1 1 33 33 ILE CA C 13 58.41 0.05 . 1 . . . . 22 ILE CA . 16147 1 277 . 1 1 33 33 ILE CB C 13 40.91 0.05 . 1 . . . . 22 ILE CB . 16147 1 278 . 1 1 33 33 ILE CD1 C 13 14.38 0.05 . 1 . . . . 22 ILE CD1 . 16147 1 279 . 1 1 33 33 ILE CG1 C 13 28.05 0.05 . 1 . . . . 22 ILE CG1 . 16147 1 280 . 1 1 33 33 ILE CG2 C 13 14.11 0.05 . 1 . . . . 22 ILE CG2 . 16147 1 281 . 1 1 33 33 ILE N N 15 126.6 0.1 . 1 . . . . 22 ILE N . 16147 1 282 . 1 1 34 34 VAL H H 1 8.88 0.02 . 1 . . . . 23 VAL H . 16147 1 283 . 1 1 34 34 VAL HA H 1 4.37 0.02 . 1 . . . . 23 VAL HA . 16147 1 284 . 1 1 34 34 VAL HB H 1 1.93 0.02 . 1 . . . . 23 VAL HB . 16147 1 285 . 1 1 34 34 VAL HG11 H 1 0.77 0.02 . 1 . . . . 23 VAL HG1 . 16147 1 286 . 1 1 34 34 VAL HG12 H 1 0.77 0.02 . 1 . . . . 23 VAL HG1 . 16147 1 287 . 1 1 34 34 VAL HG13 H 1 0.77 0.02 . 1 . . . . 23 VAL HG1 . 16147 1 288 . 1 1 34 34 VAL HG21 H 1 -0.01 0.02 . 1 . . . . 23 VAL HG2 . 16147 1 289 . 1 1 34 34 VAL HG22 H 1 -0.01 0.02 . 1 . . . . 23 VAL HG2 . 16147 1 290 . 1 1 34 34 VAL HG23 H 1 -0.01 0.02 . 1 . . . . 23 VAL HG2 . 16147 1 291 . 1 1 34 34 VAL C C 13 174.09 0.05 . 1 . . . . 23 VAL C . 16147 1 292 . 1 1 34 34 VAL CA C 13 59.77 0.05 . 1 . . . . 23 VAL CA . 16147 1 293 . 1 1 34 34 VAL CB C 13 34.89 0.05 . 1 . . . . 23 VAL CB . 16147 1 294 . 1 1 34 34 VAL CG1 C 13 21.49 0.05 . 1 . . . . 23 VAL CG1 . 16147 1 295 . 1 1 34 34 VAL CG2 C 13 20.67 0.05 . 1 . . . . 23 VAL CG2 . 16147 1 296 . 1 1 34 34 VAL N N 15 124.3 0.1 . 1 . . . . 23 VAL N . 16147 1 297 . 1 1 35 35 ASP H H 1 7.47 0.02 . 1 . . . . 24 ASP H . 16147 1 298 . 1 1 35 35 ASP HA H 1 4.39 0.02 . 1 . . . . 24 ASP HA . 16147 1 299 . 1 1 35 35 ASP HB2 H 1 1.77 0.02 . 1 . . . . 24 ASP HB2 . 16147 1 300 . 1 1 35 35 ASP HB3 H 1 2.53 0.02 . 1 . . . . 24 ASP HB3 . 16147 1 301 . 1 1 35 35 ASP C C 13 174.78 0.05 . 1 . . . . 24 ASP C . 16147 1 302 . 1 1 35 35 ASP CA C 13 50.48 0.05 . 1 . . . . 24 ASP CA . 16147 1 303 . 1 1 35 35 ASP CB C 13 39.27 0.05 . 1 . . . . 24 ASP CB . 16147 1 304 . 1 1 35 35 ASP N N 15 123.5 0.1 . 1 . . . . 24 ASP N . 16147 1 305 . 1 1 36 36 PHE H H 1 9 0.02 . 1 . . . . 25 PHE H . 16147 1 306 . 1 1 36 36 PHE HA H 1 5.12 0.02 . 1 . . . . 25 PHE HA . 16147 1 307 . 1 1 36 36 PHE HB2 H 1 2.53 0.02 . 1 . . . . 25 PHE HB2 . 16147 1 308 . 1 1 36 36 PHE HB3 H 1 3.11 0.02 . 1 . . . . 25 PHE HB3 . 16147 1 309 . 1 1 36 36 PHE HD1 H 1 7.04 0.02 . 3 . . . . 25 PHE HD1 . 16147 1 310 . 1 1 36 36 PHE HD2 H 1 7.04 0.02 . 3 . . . . 25 PHE HD2 . 16147 1 311 . 1 1 36 36 PHE HE1 H 1 7 0.02 . 3 . . . . 25 PHE HE1 . 16147 1 312 . 1 1 36 36 PHE HE2 H 1 7 0.02 . 3 . . . . 25 PHE HE2 . 16147 1 313 . 1 1 36 36 PHE HZ H 1 7.31 0.02 . 1 . . . . 25 PHE HZ . 16147 1 314 . 1 1 36 36 PHE C C 13 173.13 0.05 . 1 . . . . 25 PHE C . 16147 1 315 . 1 1 36 36 PHE CA C 13 57.31 0.05 . 1 . . . . 25 PHE CA . 16147 1 316 . 1 1 36 36 PHE CB C 13 38.17 0.05 . 1 . . . . 25 PHE CB . 16147 1 317 . 1 1 36 36 PHE N N 15 126.2 0.1 . 1 . . . . 25 PHE N . 16147 1 318 . 1 1 37 37 PHE H H 1 8.7 0.02 . 1 . . . . 26 PHE H . 16147 1 319 . 1 1 37 37 PHE HA H 1 5.12 0.02 . 1 . . . . 26 PHE HA . 16147 1 320 . 1 1 37 37 PHE HB2 H 1 2.43 0.02 . 1 . . . . 26 PHE HB2 . 16147 1 321 . 1 1 37 37 PHE HB3 H 1 3 0.02 . 1 . . . . 26 PHE HB3 . 16147 1 322 . 1 1 37 37 PHE HD1 H 1 6.91 0.02 . 3 . . . . 26 PHE HD1 . 16147 1 323 . 1 1 37 37 PHE HD2 H 1 6.91 0.02 . 3 . . . . 26 PHE HD2 . 16147 1 324 . 1 1 37 37 PHE HE1 H 1 7.04 0.02 . 3 . . . . 26 PHE HE1 . 16147 1 325 . 1 1 37 37 PHE HE2 H 1 7.04 0.02 . 3 . . . . 26 PHE HE2 . 16147 1 326 . 1 1 37 37 PHE HZ H 1 7.29 0.02 . 1 . . . . 26 PHE HZ . 16147 1 327 . 1 1 37 37 PHE C C 13 170.5 0.05 . 1 . . . . 26 PHE C . 16147 1 328 . 1 1 37 37 PHE CA C 13 54.3 0.05 . 1 . . . . 26 PHE CA . 16147 1 329 . 1 1 37 37 PHE CB C 13 42.82 0.05 . 1 . . . . 26 PHE CB . 16147 1 330 . 1 1 37 37 PHE N N 15 120.5 0.1 . 1 . . . . 26 PHE N . 16147 1 331 . 1 1 38 38 ALA H H 1 6.23 0.02 . 1 . . . . 27 ALA H . 16147 1 332 . 1 1 38 38 ALA HA H 1 4.24 0.02 . 1 . . . . 27 ALA HA . 16147 1 333 . 1 1 38 38 ALA HB1 H 1 0.26 0.02 . 1 . . . . 27 ALA HB . 16147 1 334 . 1 1 38 38 ALA HB2 H 1 0.26 0.02 . 1 . . . . 27 ALA HB . 16147 1 335 . 1 1 38 38 ALA HB3 H 1 0.26 0.02 . 1 . . . . 27 ALA HB . 16147 1 336 . 1 1 38 38 ALA C C 13 178.72 0.05 . 1 . . . . 27 ALA C . 16147 1 337 . 1 1 38 38 ALA CA C 13 49.93 0.05 . 1 . . . . 27 ALA CA . 16147 1 338 . 1 1 38 38 ALA CB C 13 22.04 0.05 . 1 . . . . 27 ALA CB . 16147 1 339 . 1 1 38 38 ALA N N 15 117.4 0.1 . 1 . . . . 27 ALA N . 16147 1 340 . 1 1 39 39 GLU H H 1 9.91 0.02 . 1 . . . . 28 GLU H . 16147 1 341 . 1 1 39 39 GLU HA H 1 4.1 0.02 . 1 . . . . 28 GLU HA . 16147 1 342 . 1 1 39 39 GLU HB2 H 1 2.05 0.02 . 2 . . . . 28 GLU HB2 . 16147 1 343 . 1 1 39 39 GLU HB3 H 1 2.05 0.02 . 2 . . . . 28 GLU HB3 . 16147 1 344 . 1 1 39 39 GLU HG2 H 1 2.33 0.02 . 2 . . . . 28 GLU HG2 . 16147 1 345 . 1 1 39 39 GLU HG3 H 1 2.33 0.02 . 2 . . . . 28 GLU HG3 . 16147 1 346 . 1 1 39 39 GLU C C 13 176.05 0.05 . 1 . . . . 28 GLU C . 16147 1 347 . 1 1 39 39 GLU CA C 13 58.41 0.05 . 1 . . . . 28 GLU CA . 16147 1 348 . 1 1 39 39 GLU CB C 13 29.15 0.05 . 1 . . . . 28 GLU CB . 16147 1 349 . 1 1 39 39 GLU CG C 13 35.16 0.05 . 1 . . . . 28 GLU CG . 16147 1 350 . 1 1 39 39 GLU N N 15 125 0.1 . 1 . . . . 28 GLU N . 16147 1 351 . 1 1 40 40 TRP H H 1 6.56 0.02 . 1 . . . . 29 TRP H . 16147 1 352 . 1 1 40 40 TRP HA H 1 4.55 0.02 . 1 . . . . 29 TRP HA . 16147 1 353 . 1 1 40 40 TRP HB2 H 1 3.16 0.02 . 1 . . . . 29 TRP HB2 . 16147 1 354 . 1 1 40 40 TRP HB3 H 1 3.58 0.02 . 1 . . . . 29 TRP HB3 . 16147 1 355 . 1 1 40 40 TRP HD1 H 1 7.36 0.02 . 1 . . . . 29 TRP HD1 . 16147 1 356 . 1 1 40 40 TRP HE1 H 1 11.21 0.02 . 1 . . . . 29 TRP HE1 . 16147 1 357 . 1 1 40 40 TRP HE3 H 1 7.39 0.02 . 1 . . . . 29 TRP HE3 . 16147 1 358 . 1 1 40 40 TRP HH2 H 1 7.12 0.02 . 1 . . . . 29 TRP HH2 . 16147 1 359 . 1 1 40 40 TRP HZ2 H 1 7.45 0.02 . 1 . . . . 29 TRP HZ2 . 16147 1 360 . 1 1 40 40 TRP HZ3 H 1 7.39 0.02 . 1 . . . . 29 TRP HZ3 . 16147 1 361 . 1 1 40 40 TRP C C 13 175.81 0.05 . 1 . . . . 29 TRP C . 16147 1 362 . 1 1 40 40 TRP CA C 13 53.21 0.05 . 1 . . . . 29 TRP CA . 16147 1 363 . 1 1 40 40 TRP CB C 13 28.33 0.05 . 1 . . . . 29 TRP CB . 16147 1 364 . 1 1 40 40 TRP N N 15 111.7 0.1 . 1 . . . . 29 TRP N . 16147 1 365 . 1 1 41 41 CYS H H 1 6.71 0.02 . 1 . . . . 30 CYS H . 16147 1 366 . 1 1 41 41 CYS HB2 H 1 1.57 0.02 . 1 . . . . 30 CYS HB2 . 16147 1 367 . 1 1 41 41 CYS HB3 H 1 2.42 0.02 . 1 . . . . 30 CYS HB3 . 16147 1 368 . 1 1 41 41 CYS C C 13 176.8 0.05 . 1 . . . . 30 CYS C . 16147 1 369 . 1 1 41 41 CYS N N 15 120.5 0.1 . 1 . . . . 30 CYS N . 16147 1 370 . 1 1 42 42 GLY H H 1 7.85 0.02 . 1 . . . . 31 GLY H . 16147 1 371 . 1 1 42 42 GLY HA2 H 1 4.07 0.02 . 1 . . . . 31 GLY HA2 . 16147 1 372 . 1 1 42 42 GLY HA3 H 1 4.32 0.02 . 1 . . . . 31 GLY HA3 . 16147 1 373 . 1 1 42 42 GLY CA C 13 48.29 0.05 . 1 . . . . 31 GLY CA . 16147 1 374 . 1 1 42 42 GLY N N 15 115.6 0.1 . 1 . . . . 31 GLY N . 16147 1 375 . 1 1 43 43 PRO HA H 1 4.32 0.02 . 1 . . . . 32 PRO HA . 16147 1 376 . 1 1 43 43 PRO HB2 H 1 1.8 0.02 . 1 . . . . 32 PRO HB2 . 16147 1 377 . 1 1 43 43 PRO HB3 H 1 2.6 0.02 . 1 . . . . 32 PRO HB3 . 16147 1 378 . 1 1 43 43 PRO HD2 H 1 3.88 0.02 . 1 . . . . 32 PRO HD2 . 16147 1 379 . 1 1 43 43 PRO HD3 H 1 3.97 0.02 . 1 . . . . 32 PRO HD3 . 16147 1 380 . 1 1 43 43 PRO HG2 H 1 2.07 0.02 . 1 . . . . 32 PRO HG2 . 16147 1 381 . 1 1 43 43 PRO HG3 H 1 2.21 0.02 . 1 . . . . 32 PRO HG3 . 16147 1 382 . 1 1 43 43 PRO C C 13 177.81 0.05 . 1 . . . . 32 PRO C . 16147 1 383 . 1 1 43 43 PRO CA C 13 64.97 0.05 . 1 . . . . 32 PRO CA . 16147 1 384 . 1 1 43 43 PRO CB C 13 32.43 0.05 . 1 . . . . 32 PRO CB . 16147 1 385 . 1 1 43 43 PRO CD C 13 51.84 0.05 . 1 . . . . 32 PRO CD . 16147 1 386 . 1 1 43 43 PRO CG C 13 28.05 0.05 . 1 . . . . 32 PRO CG . 16147 1 387 . 1 1 44 44 CYS H H 1 8.13 0.02 . 1 . . . . 33 CYS H . 16147 1 388 . 1 1 44 44 CYS HA H 1 4.23 0.02 . 1 . . . . 33 CYS HA . 16147 1 389 . 1 1 44 44 CYS HB2 H 1 4.19 0.02 . 1 . . . . 33 CYS HB2 . 16147 1 390 . 1 1 44 44 CYS HB3 H 1 3.15 0.02 . 1 . . . . 33 CYS HB3 . 16147 1 391 . 1 1 44 44 CYS C C 13 176.11 0.05 . 1 . . . . 33 CYS C . 16147 1 392 . 1 1 44 44 CYS CA C 13 63.05 0.05 . 1 . . . . 33 CYS CA . 16147 1 393 . 1 1 44 44 CYS CB C 13 34.07 0.05 . 1 . . . . 33 CYS CB . 16147 1 394 . 1 1 44 44 CYS N N 15 109.8 0.1 . 1 . . . . 33 CYS N . 16147 1 395 . 1 1 45 45 LYS H H 1 7.81 0.02 . 1 . . . . 34 LYS H . 16147 1 396 . 1 1 45 45 LYS HA H 1 4.07 0.02 . 1 . . . . 34 LYS HA . 16147 1 397 . 1 1 45 45 LYS HB2 H 1 1.98 0.02 . 1 . . . . 34 LYS HB2 . 16147 1 398 . 1 1 45 45 LYS HB3 H 1 2.09 0.02 . 1 . . . . 34 LYS HB3 . 16147 1 399 . 1 1 45 45 LYS HD2 H 1 1.71 0.02 . 1 . . . . 34 LYS HD2 . 16147 1 400 . 1 1 45 45 LYS HD3 H 1 1.78 0.02 . 1 . . . . 34 LYS HD3 . 16147 1 401 . 1 1 45 45 LYS HE2 H 1 3.02 0.02 . 1 . . . . 34 LYS HE2 . 16147 1 402 . 1 1 45 45 LYS HE3 H 1 3.08 0.02 . 1 . . . . 34 LYS HE3 . 16147 1 403 . 1 1 45 45 LYS HG2 H 1 1.51 0.02 . 1 . . . . 34 LYS HG2 . 16147 1 404 . 1 1 45 45 LYS HG3 H 1 1.56 0.02 . 1 . . . . 34 LYS HG3 . 16147 1 405 . 1 1 45 45 LYS C C 13 179.16 0.05 . 1 . . . . 34 LYS C . 16147 1 406 . 1 1 45 45 LYS CA C 13 58.68 0.05 . 1 . . . . 34 LYS CA . 16147 1 407 . 1 1 45 45 LYS CB C 13 31.61 0.05 . 1 . . . . 34 LYS CB . 16147 1 408 . 1 1 45 45 LYS CD C 13 28.6 0.05 . 1 . . . . 34 LYS CD . 16147 1 409 . 1 1 45 45 LYS CE C 13 41.73 0.05 . 1 . . . . 34 LYS CE . 16147 1 410 . 1 1 45 45 LYS CG C 13 25.05 0.05 . 1 . . . . 34 LYS CG . 16147 1 411 . 1 1 45 45 LYS N N 15 121.3 0.1 . 1 . . . . 34 LYS N . 16147 1 412 . 1 1 46 46 ARG H H 1 7.81 0.02 . 1 . . . . 35 ARG H . 16147 1 413 . 1 1 46 46 ARG HA H 1 4.1 0.02 . 1 . . . . 35 ARG HA . 16147 1 414 . 1 1 46 46 ARG HB2 H 1 1.95 0.02 . 1 . . . . 35 ARG HB2 . 16147 1 415 . 1 1 46 46 ARG HB3 H 1 2.02 0.02 . 1 . . . . 35 ARG HB3 . 16147 1 416 . 1 1 46 46 ARG HD2 H 1 3.24 0.02 . 1 . . . . 35 ARG HD2 . 16147 1 417 . 1 1 46 46 ARG HD3 H 1 3.29 0.02 . 1 . . . . 35 ARG HD3 . 16147 1 418 . 1 1 46 46 ARG HG2 H 1 1.72 0.02 . 1 . . . . 35 ARG HG2 . 16147 1 419 . 1 1 46 46 ARG HG3 H 1 1.82 0.02 . 1 . . . . 35 ARG HG3 . 16147 1 420 . 1 1 46 46 ARG C C 13 178.05 0.05 . 1 . . . . 35 ARG C . 16147 1 421 . 1 1 46 46 ARG CA C 13 58.68 0.05 . 1 . . . . 35 ARG CA . 16147 1 422 . 1 1 46 46 ARG CB C 13 29.42 0.05 . 1 . . . . 35 ARG CB . 16147 1 423 . 1 1 46 46 ARG CD C 13 42.55 0.05 . 1 . . . . 35 ARG CD . 16147 1 424 . 1 1 46 46 ARG CG C 13 26.69 0.05 . 1 . . . . 35 ARG CG . 16147 1 425 . 1 1 46 46 ARG N N 15 118.9 0.1 . 1 . . . . 35 ARG N . 16147 1 426 . 1 1 47 47 ILE H H 1 7.47 0.02 . 1 . . . . 36 ILE H . 16147 1 427 . 1 1 47 47 ILE HA H 1 4.69 0.02 . 1 . . . . 36 ILE HA . 16147 1 428 . 1 1 47 47 ILE HB H 1 1.88 0.02 . 1 . . . . 36 ILE HB . 16147 1 429 . 1 1 47 47 ILE HD11 H 1 0.86 0.02 . 1 . . . . 36 ILE HD1 . 16147 1 430 . 1 1 47 47 ILE HD12 H 1 0.86 0.02 . 1 . . . . 36 ILE HD1 . 16147 1 431 . 1 1 47 47 ILE HD13 H 1 0.86 0.02 . 1 . . . . 36 ILE HD1 . 16147 1 432 . 1 1 47 47 ILE HG12 H 1 1.61 0.02 . 1 . . . . 36 ILE HG12 . 16147 1 433 . 1 1 47 47 ILE HG13 H 1 2.04 0.02 . 1 . . . . 36 ILE HG13 . 16147 1 434 . 1 1 47 47 ILE HG21 H 1 1.2 0.02 . 1 . . . . 36 ILE HG2 . 16147 1 435 . 1 1 47 47 ILE HG22 H 1 1.2 0.02 . 1 . . . . 36 ILE HG2 . 16147 1 436 . 1 1 47 47 ILE HG23 H 1 1.2 0.02 . 1 . . . . 36 ILE HG2 . 16147 1 437 . 1 1 47 47 ILE C C 13 175.06 0.05 . 1 . . . . 36 ILE C . 16147 1 438 . 1 1 47 47 ILE CA C 13 60.32 0.05 . 1 . . . . 36 ILE CA . 16147 1 439 . 1 1 47 47 ILE CB C 13 40.63 0.05 . 1 . . . . 36 ILE CB . 16147 1 440 . 1 1 47 47 ILE CD1 C 13 14.66 0.05 . 1 . . . . 36 ILE CD1 . 16147 1 441 . 1 1 47 47 ILE CG1 C 13 31.06 0.05 . 1 . . . . 36 ILE CG1 . 16147 1 442 . 1 1 47 47 ILE CG2 C 13 16.57 0.05 . 1 . . . . 36 ILE CG2 . 16147 1 443 . 1 1 47 47 ILE N N 15 115.2 0.1 . 1 . . . . 36 ILE N . 16147 1 444 . 1 1 48 48 ALA H H 1 7.3 0.02 . 1 . . . . 37 ALA H . 16147 1 445 . 1 1 48 48 ALA HA H 1 4.22 0.02 . 1 . . . . 37 ALA HA . 16147 1 446 . 1 1 48 48 ALA HB1 H 1 1.51 0.02 . 1 . . . . 37 ALA HB . 16147 1 447 . 1 1 48 48 ALA HB2 H 1 1.51 0.02 . 1 . . . . 37 ALA HB . 16147 1 448 . 1 1 48 48 ALA HB3 H 1 1.51 0.02 . 1 . . . . 37 ALA HB . 16147 1 449 . 1 1 48 48 ALA CA C 13 56.49 0.05 . 1 . . . . 37 ALA CA . 16147 1 450 . 1 1 48 48 ALA CB C 13 15.2 0.05 . 1 . . . . 37 ALA CB . 16147 1 451 . 1 1 48 48 ALA N N 15 126.1 0.1 . 1 . . . . 37 ALA N . 16147 1 452 . 1 1 49 49 PRO HA H 1 4.44 0.02 . 1 . . . . 38 PRO HA . 16147 1 453 . 1 1 49 49 PRO HB2 H 1 2 0.02 . 1 . . . . 38 PRO HB2 . 16147 1 454 . 1 1 49 49 PRO HB3 H 1 2.4 0.02 . 1 . . . . 38 PRO HB3 . 16147 1 455 . 1 1 49 49 PRO HD2 H 1 3.83 0.02 . 2 . . . . 38 PRO HD2 . 16147 1 456 . 1 1 49 49 PRO HD3 H 1 3.83 0.02 . 2 . . . . 38 PRO HD3 . 16147 1 457 . 1 1 49 49 PRO HG2 H 1 2.01 0.02 . 1 . . . . 38 PRO HG2 . 16147 1 458 . 1 1 49 49 PRO HG3 H 1 2.19 0.02 . 1 . . . . 38 PRO HG3 . 16147 1 459 . 1 1 49 49 PRO C C 13 179.34 0.05 . 1 . . . . 38 PRO C . 16147 1 460 . 1 1 49 49 PRO CA C 13 65.79 0.05 . 1 . . . . 38 PRO CA . 16147 1 461 . 1 1 49 49 PRO CB C 13 30.52 0.05 . 1 . . . . 38 PRO CB . 16147 1 462 . 1 1 49 49 PRO CD C 13 50.48 0.05 . 1 . . . . 38 PRO CD . 16147 1 463 . 1 1 49 49 PRO CG C 13 28.05 0.05 . 1 . . . . 38 PRO CG . 16147 1 464 . 1 1 50 50 PHE H H 1 7.7 0.02 . 1 . . . . 39 PHE H . 16147 1 465 . 1 1 50 50 PHE HA H 1 4.51 0.02 . 1 . . . . 39 PHE HA . 16147 1 466 . 1 1 50 50 PHE HB2 H 1 3.11 0.02 . 1 . . . . 39 PHE HB2 . 16147 1 467 . 1 1 50 50 PHE HB3 H 1 3.47 0.02 . 1 . . . . 39 PHE HB3 . 16147 1 468 . 1 1 50 50 PHE HD1 H 1 7.19 0.02 . 3 . . . . 39 PHE HD1 . 16147 1 469 . 1 1 50 50 PHE HD2 H 1 7.19 0.02 . 3 . . . . 39 PHE HD2 . 16147 1 470 . 1 1 50 50 PHE HE1 H 1 7.29 0.02 . 3 . . . . 39 PHE HE1 . 16147 1 471 . 1 1 50 50 PHE HE2 H 1 7.29 0.02 . 3 . . . . 39 PHE HE2 . 16147 1 472 . 1 1 50 50 PHE HZ H 1 7.03 0.02 . 1 . . . . 39 PHE HZ . 16147 1 473 . 1 1 50 50 PHE C C 13 177.84 0.05 . 1 . . . . 39 PHE C . 16147 1 474 . 1 1 50 50 PHE CA C 13 60.32 0.05 . 1 . . . . 39 PHE CA . 16147 1 475 . 1 1 50 50 PHE CB C 13 38.99 0.05 . 1 . . . . 39 PHE CB . 16147 1 476 . 1 1 50 50 PHE N N 15 120.8 0.1 . 1 . . . . 39 PHE N . 16147 1 477 . 1 1 51 51 TYR H H 1 8.59 0.02 . 1 . . . . 40 TYR H . 16147 1 478 . 1 1 51 51 TYR HA H 1 3.94 0.02 . 1 . . . . 40 TYR HA . 16147 1 479 . 1 1 51 51 TYR HB2 H 1 3 0.02 . 1 . . . . 40 TYR HB2 . 16147 1 480 . 1 1 51 51 TYR HB3 H 1 3.37 0.02 . 1 . . . . 40 TYR HB3 . 16147 1 481 . 1 1 51 51 TYR HD1 H 1 7.25 0.02 . 3 . . . . 40 TYR HD1 . 16147 1 482 . 1 1 51 51 TYR HD2 H 1 7.25 0.02 . 3 . . . . 40 TYR HD2 . 16147 1 483 . 1 1 51 51 TYR HE1 H 1 6.92 0.02 . 3 . . . . 40 TYR HE1 . 16147 1 484 . 1 1 51 51 TYR HE2 H 1 6.92 0.02 . 3 . . . . 40 TYR HE2 . 16147 1 485 . 1 1 51 51 TYR C C 13 176.78 0.05 . 1 . . . . 40 TYR C . 16147 1 486 . 1 1 51 51 TYR CA C 13 62.23 0.05 . 1 . . . . 40 TYR CA . 16147 1 487 . 1 1 51 51 TYR CB C 13 38.45 0.05 . 1 . . . . 40 TYR CB . 16147 1 488 . 1 1 51 51 TYR N N 15 122.8 0.1 . 1 . . . . 40 TYR N . 16147 1 489 . 1 1 52 52 GLU H H 1 8.09 0.02 . 1 . . . . 41 GLU H . 16147 1 490 . 1 1 52 52 GLU HA H 1 3.62 0.02 . 1 . . . . 41 GLU HA . 16147 1 491 . 1 1 52 52 GLU HB2 H 1 2.14 0.02 . 2 . . . . 41 GLU HB2 . 16147 1 492 . 1 1 52 52 GLU HB3 H 1 2.14 0.02 . 2 . . . . 41 GLU HB3 . 16147 1 493 . 1 1 52 52 GLU HG2 H 1 2.19 0.02 . 2 . . . . 41 GLU HG2 . 16147 1 494 . 1 1 52 52 GLU HG3 H 1 2.19 0.02 . 2 . . . . 41 GLU HG3 . 16147 1 495 . 1 1 52 52 GLU C C 13 179.85 0.05 . 1 . . . . 41 GLU C . 16147 1 496 . 1 1 52 52 GLU CA C 13 58.68 0.05 . 1 . . . . 41 GLU CA . 16147 1 497 . 1 1 52 52 GLU CB C 13 28.6 0.05 . 1 . . . . 41 GLU CB . 16147 1 498 . 1 1 52 52 GLU CG C 13 35.71 0.05 . 1 . . . . 41 GLU CG . 16147 1 499 . 1 1 52 52 GLU N N 15 116.7 0.1 . 1 . . . . 41 GLU N . 16147 1 500 . 1 1 53 53 GLU H H 1 8.3 0.02 . 1 . . . . 42 GLU H . 16147 1 501 . 1 1 53 53 GLU HA H 1 3.83 0.02 . 1 . . . . 42 GLU HA . 16147 1 502 . 1 1 53 53 GLU HB2 H 1 2.05 0.02 . 1 . . . . 42 GLU HB2 . 16147 1 503 . 1 1 53 53 GLU HB3 H 1 2.13 0.02 . 1 . . . . 42 GLU HB3 . 16147 1 504 . 1 1 53 53 GLU HG2 H 1 2.21 0.02 . 1 . . . . 42 GLU HG2 . 16147 1 505 . 1 1 53 53 GLU HG3 H 1 2.26 0.02 . 1 . . . . 42 GLU HG3 . 16147 1 506 . 1 1 53 53 GLU C C 13 180.2 0.05 . 1 . . . . 42 GLU C . 16147 1 507 . 1 1 53 53 GLU CA C 13 59.5 0.05 . 1 . . . . 42 GLU CA . 16147 1 508 . 1 1 53 53 GLU CB C 13 28.6 0.05 . 1 . . . . 42 GLU CB . 16147 1 509 . 1 1 53 53 GLU CG C 13 35.44 0.05 . 1 . . . . 42 GLU CG . 16147 1 510 . 1 1 53 53 GLU N N 15 122.8 0.1 . 1 . . . . 42 GLU N . 16147 1 511 . 1 1 54 54 CYS H H 1 8.29 0.02 . 1 . . . . 43 CYS H . 16147 1 512 . 1 1 54 54 CYS HA H 1 3.93 0.02 . 1 . . . . 43 CYS HA . 16147 1 513 . 1 1 54 54 CYS HB2 H 1 2.49 0.02 . 1 . . . . 43 CYS HB2 . 16147 1 514 . 1 1 54 54 CYS HB3 H 1 3.05 0.02 . 1 . . . . 43 CYS HB3 . 16147 1 515 . 1 1 54 54 CYS C C 13 176.24 0.05 . 1 . . . . 43 CYS C . 16147 1 516 . 1 1 54 54 CYS CA C 13 64.15 0.05 . 1 . . . . 43 CYS CA . 16147 1 517 . 1 1 54 54 CYS CB C 13 26.69 0.05 . 1 . . . . 43 CYS CB . 16147 1 518 . 1 1 54 54 CYS N N 15 117.7 0.1 . 1 . . . . 43 CYS N . 16147 1 519 . 1 1 55 55 SER H H 1 7.23 0.02 . 1 . . . . 44 SER H . 16147 1 520 . 1 1 55 55 SER HA H 1 3.62 0.02 . 1 . . . . 44 SER HA . 16147 1 521 . 1 1 55 55 SER HB2 H 1 2.75 0.02 . 1 . . . . 44 SER HB2 . 16147 1 522 . 1 1 55 55 SER HB3 H 1 2.89 0.02 . 1 . . . . 44 SER HB3 . 16147 1 523 . 1 1 55 55 SER HG H 1 5.78 0.02 . 1 . . . . 44 SER HG . 16147 1 524 . 1 1 55 55 SER C C 13 174.54 0.05 . 1 . . . . 44 SER C . 16147 1 525 . 1 1 55 55 SER CA C 13 61.14 0.05 . 1 . . . . 44 SER CA . 16147 1 526 . 1 1 55 55 SER CB C 13 62.23 0.05 . 1 . . . . 44 SER CB . 16147 1 527 . 1 1 55 55 SER N N 15 118.7 0.1 . 1 . . . . 44 SER N . 16147 1 528 . 1 1 56 56 LYS H H 1 6.63 0.02 . 1 . . . . 45 LYS H . 16147 1 529 . 1 1 56 56 LYS HA H 1 3.94 0.02 . 1 . . . . 45 LYS HA . 16147 1 530 . 1 1 56 56 LYS HB2 H 1 1.7 0.02 . 1 . . . . 45 LYS HB2 . 16147 1 531 . 1 1 56 56 LYS HB3 H 1 1.78 0.02 . 1 . . . . 45 LYS HB3 . 16147 1 532 . 1 1 56 56 LYS HD2 H 1 1.53 0.02 . 2 . . . . 45 LYS HD2 . 16147 1 533 . 1 1 56 56 LYS HD3 H 1 1.53 0.02 . 2 . . . . 45 LYS HD3 . 16147 1 534 . 1 1 56 56 LYS HE2 H 1 2.79 0.02 . 2 . . . . 45 LYS HE2 . 16147 1 535 . 1 1 56 56 LYS HE3 H 1 2.79 0.02 . 2 . . . . 45 LYS HE3 . 16147 1 536 . 1 1 56 56 LYS HG2 H 1 1.28 0.02 . 1 . . . . 45 LYS HG2 . 16147 1 537 . 1 1 56 56 LYS HG3 H 1 1.4 0.02 . 1 . . . . 45 LYS HG3 . 16147 1 538 . 1 1 56 56 LYS C C 13 177.13 0.05 . 1 . . . . 45 LYS C . 16147 1 539 . 1 1 56 56 LYS CA C 13 57.04 0.05 . 1 . . . . 45 LYS CA . 16147 1 540 . 1 1 56 56 LYS CB C 13 32.43 0.05 . 1 . . . . 45 LYS CB . 16147 1 541 . 1 1 56 56 LYS CD C 13 28.87 0.05 . 1 . . . . 45 LYS CD . 16147 1 542 . 1 1 56 56 LYS CE C 13 41.73 0.05 . 1 . . . . 45 LYS CE . 16147 1 543 . 1 1 56 56 LYS CG C 13 24.77 0.05 . 1 . . . . 45 LYS CG . 16147 1 544 . 1 1 56 56 LYS N N 15 118.7 0.1 . 1 . . . . 45 LYS N . 16147 1 545 . 1 1 57 57 THR H H 1 7.15 0.02 . 1 . . . . 46 THR H . 16147 1 546 . 1 1 57 57 THR HA H 1 3.95 0.02 . 1 . . . . 46 THR HA . 16147 1 547 . 1 1 57 57 THR HB H 1 3.6 0.02 . 1 . . . . 46 THR HB . 16147 1 548 . 1 1 57 57 THR HG21 H 1 0.45 0.02 . 1 . . . . 46 THR HG2 . 16147 1 549 . 1 1 57 57 THR HG22 H 1 0.45 0.02 . 1 . . . . 46 THR HG2 . 16147 1 550 . 1 1 57 57 THR HG23 H 1 0.45 0.02 . 1 . . . . 46 THR HG2 . 16147 1 551 . 1 1 57 57 THR C C 13 174.91 0.05 . 1 . . . . 46 THR C . 16147 1 552 . 1 1 57 57 THR CA C 13 63.87 0.05 . 1 . . . . 46 THR CA . 16147 1 553 . 1 1 57 57 THR CB C 13 69.89 0.05 . 1 . . . . 46 THR CB . 16147 1 554 . 1 1 57 57 THR CG2 C 13 20.13 0.05 . 1 . . . . 46 THR CG2 . 16147 1 555 . 1 1 57 57 THR N N 15 114.3 0.1 . 1 . . . . 46 THR N . 16147 1 556 . 1 1 58 58 TYR H H 1 7.91 0.02 . 1 . . . . 47 TYR H . 16147 1 557 . 1 1 58 58 TYR HA H 1 4.92 0.02 . 1 . . . . 47 TYR HA . 16147 1 558 . 1 1 58 58 TYR HB2 H 1 2.88 0.02 . 1 . . . . 47 TYR HB2 . 16147 1 559 . 1 1 58 58 TYR HB3 H 1 2.99 0.02 . 1 . . . . 47 TYR HB3 . 16147 1 560 . 1 1 58 58 TYR HD1 H 1 7.26 0.02 . 3 . . . . 47 TYR HD1 . 16147 1 561 . 1 1 58 58 TYR HD2 H 1 7.26 0.02 . 3 . . . . 47 TYR HD2 . 16147 1 562 . 1 1 58 58 TYR HE1 H 1 6.78 0.02 . 3 . . . . 47 TYR HE1 . 16147 1 563 . 1 1 58 58 TYR HE2 H 1 6.78 0.02 . 3 . . . . 47 TYR HE2 . 16147 1 564 . 1 1 58 58 TYR C C 13 176.61 0.05 . 1 . . . . 47 TYR C . 16147 1 565 . 1 1 58 58 TYR CA C 13 57.31 0.05 . 1 . . . . 47 TYR CA . 16147 1 566 . 1 1 58 58 TYR CB C 13 35.44 0.05 . 1 . . . . 47 TYR CB . 16147 1 567 . 1 1 58 58 TYR N N 15 123.6 0.1 . 1 . . . . 47 TYR N . 16147 1 568 . 1 1 59 59 THR H H 1 7.19 0.02 . 1 . . . . 48 THR H . 16147 1 569 . 1 1 59 59 THR HA H 1 4.3 0.02 . 1 . . . . 48 THR HA . 16147 1 570 . 1 1 59 59 THR HB H 1 4.45 0.02 . 1 . . . . 48 THR HB . 16147 1 571 . 1 1 59 59 THR HG21 H 1 1.12 0.02 . 1 . . . . 48 THR HG2 . 16147 1 572 . 1 1 59 59 THR HG22 H 1 1.12 0.02 . 1 . . . . 48 THR HG2 . 16147 1 573 . 1 1 59 59 THR HG23 H 1 1.12 0.02 . 1 . . . . 48 THR HG2 . 16147 1 574 . 1 1 59 59 THR C C 13 176.37 0.05 . 1 . . . . 48 THR C . 16147 1 575 . 1 1 59 59 THR CA C 13 63.05 0.05 . 1 . . . . 48 THR CA . 16147 1 576 . 1 1 59 59 THR CB C 13 68.52 0.05 . 1 . . . . 48 THR CB . 16147 1 577 . 1 1 59 59 THR CG2 C 13 21.77 0.05 . 1 . . . . 48 THR CG2 . 16147 1 578 . 1 1 59 59 THR N N 15 107.7 0.1 . 1 . . . . 48 THR N . 16147 1 579 . 1 1 60 60 LYS H H 1 8.76 0.02 . 1 . . . . 49 LYS H . 16147 1 580 . 1 1 60 60 LYS HA H 1 4.3 0.02 . 1 . . . . 49 LYS HA . 16147 1 581 . 1 1 60 60 LYS HB2 H 1 1.81 0.02 . 1 . . . . 49 LYS HB2 . 16147 1 582 . 1 1 60 60 LYS HB3 H 1 1.97 0.02 . 1 . . . . 49 LYS HB3 . 16147 1 583 . 1 1 60 60 LYS HD2 H 1 1.69 0.02 . 2 . . . . 49 LYS HD2 . 16147 1 584 . 1 1 60 60 LYS HD3 H 1 1.69 0.02 . 2 . . . . 49 LYS HD3 . 16147 1 585 . 1 1 60 60 LYS HE2 H 1 2.99 0.02 . 2 . . . . 49 LYS HE2 . 16147 1 586 . 1 1 60 60 LYS HE3 H 1 2.99 0.02 . 2 . . . . 49 LYS HE3 . 16147 1 587 . 1 1 60 60 LYS HG2 H 1 1.5 0.02 . 1 . . . . 49 LYS HG2 . 16147 1 588 . 1 1 60 60 LYS HG3 H 1 1.63 0.02 . 1 . . . . 49 LYS HG3 . 16147 1 589 . 1 1 60 60 LYS HZ1 H 1 7.83 0.02 . 1 . . . . 49 LYS HZ . 16147 1 590 . 1 1 60 60 LYS HZ2 H 1 7.83 0.02 . 1 . . . . 49 LYS HZ . 16147 1 591 . 1 1 60 60 LYS HZ3 H 1 7.83 0.02 . 1 . . . . 49 LYS HZ . 16147 1 592 . 1 1 60 60 LYS C C 13 174.98 0.05 . 1 . . . . 49 LYS C . 16147 1 593 . 1 1 60 60 LYS CA C 13 57.59 0.05 . 1 . . . . 49 LYS CA . 16147 1 594 . 1 1 60 60 LYS CB C 13 32.43 0.05 . 1 . . . . 49 LYS CB . 16147 1 595 . 1 1 60 60 LYS CD C 13 28.87 0.05 . 1 . . . . 49 LYS CD . 16147 1 596 . 1 1 60 60 LYS CE C 13 41.45 0.05 . 1 . . . . 49 LYS CE . 16147 1 597 . 1 1 60 60 LYS CG C 13 25.59 0.05 . 1 . . . . 49 LYS CG . 16147 1 598 . 1 1 60 60 LYS N N 15 120.9 0.1 . 1 . . . . 49 LYS N . 16147 1 599 . 1 1 61 61 MET H H 1 7.83 0.02 . 1 . . . . 50 MET H . 16147 1 600 . 1 1 61 61 MET HA H 1 4.56 0.02 . 1 . . . . 50 MET HA . 16147 1 601 . 1 1 61 61 MET HB2 H 1 1.71 0.02 . 1 . . . . 50 MET HB2 . 16147 1 602 . 1 1 61 61 MET HB3 H 1 1.98 0.02 . 1 . . . . 50 MET HB3 . 16147 1 603 . 1 1 61 61 MET HE1 H 1 2.05 0.02 . 1 . . . . 50 MET HE . 16147 1 604 . 1 1 61 61 MET HE2 H 1 2.05 0.02 . 1 . . . . 50 MET HE . 16147 1 605 . 1 1 61 61 MET HE3 H 1 2.05 0.02 . 1 . . . . 50 MET HE . 16147 1 606 . 1 1 61 61 MET HG2 H 1 1.78 0.02 . 1 . . . . 50 MET HG2 . 16147 1 607 . 1 1 61 61 MET HG3 H 1 1.98 0.02 . 1 . . . . 50 MET HG3 . 16147 1 608 . 1 1 61 61 MET C C 13 173.16 0.05 . 1 . . . . 50 MET C . 16147 1 609 . 1 1 61 61 MET CA C 13 53.48 0.05 . 1 . . . . 50 MET CA . 16147 1 610 . 1 1 61 61 MET CB C 13 38.17 0.05 . 1 . . . . 50 MET CB . 16147 1 611 . 1 1 61 61 MET CG C 13 31.34 0.05 . 1 . . . . 50 MET CG . 16147 1 612 . 1 1 61 61 MET N N 15 119 0.1 . 1 . . . . 50 MET N . 16147 1 613 . 1 1 62 62 VAL H H 1 8.23 0.02 . 1 . . . . 51 VAL H . 16147 1 614 . 1 1 62 62 VAL HA H 1 4.22 0.02 . 1 . . . . 51 VAL HA . 16147 1 615 . 1 1 62 62 VAL HB H 1 1.99 0.02 . 1 . . . . 51 VAL HB . 16147 1 616 . 1 1 62 62 VAL HG11 H 1 0.94 0.02 . 1 . . . . 51 VAL HG1 . 16147 1 617 . 1 1 62 62 VAL HG12 H 1 0.94 0.02 . 1 . . . . 51 VAL HG1 . 16147 1 618 . 1 1 62 62 VAL HG13 H 1 0.94 0.02 . 1 . . . . 51 VAL HG1 . 16147 1 619 . 1 1 62 62 VAL HG21 H 1 0.83 0.02 . 1 . . . . 51 VAL HG2 . 16147 1 620 . 1 1 62 62 VAL HG22 H 1 0.83 0.02 . 1 . . . . 51 VAL HG2 . 16147 1 621 . 1 1 62 62 VAL HG23 H 1 0.83 0.02 . 1 . . . . 51 VAL HG2 . 16147 1 622 . 1 1 62 62 VAL C C 13 174.71 0.05 . 1 . . . . 51 VAL C . 16147 1 623 . 1 1 62 62 VAL CA C 13 61.69 0.05 . 1 . . . . 51 VAL CA . 16147 1 624 . 1 1 62 62 VAL CB C 13 32.16 0.05 . 1 . . . . 51 VAL CB . 16147 1 625 . 1 1 62 62 VAL CG1 C 13 22.04 0.05 . 1 . . . . 51 VAL CG1 . 16147 1 626 . 1 1 62 62 VAL CG2 C 13 21.77 0.05 . 1 . . . . 51 VAL CG2 . 16147 1 627 . 1 1 62 62 VAL N N 15 126.5 0.1 . 1 . . . . 51 VAL N . 16147 1 628 . 1 1 63 63 PHE H H 1 9.55 0.02 . 1 . . . . 52 PHE H . 16147 1 629 . 1 1 63 63 PHE HA H 1 5.16 0.02 . 1 . . . . 52 PHE HA . 16147 1 630 . 1 1 63 63 PHE HB2 H 1 2.21 0.02 . 1 . . . . 52 PHE HB2 . 16147 1 631 . 1 1 63 63 PHE HB3 H 1 3.28 0.02 . 1 . . . . 52 PHE HB3 . 16147 1 632 . 1 1 63 63 PHE HD1 H 1 6.6 0.02 . 3 . . . . 52 PHE HD1 . 16147 1 633 . 1 1 63 63 PHE HD2 H 1 6.6 0.02 . 3 . . . . 52 PHE HD2 . 16147 1 634 . 1 1 63 63 PHE HE1 H 1 7.12 0.02 . 3 . . . . 52 PHE HE1 . 16147 1 635 . 1 1 63 63 PHE HE2 H 1 7.12 0.02 . 3 . . . . 52 PHE HE2 . 16147 1 636 . 1 1 63 63 PHE HZ H 1 6.85 0.02 . 1 . . . . 52 PHE HZ . 16147 1 637 . 1 1 63 63 PHE C C 13 175.92 0.05 . 1 . . . . 52 PHE C . 16147 1 638 . 1 1 63 63 PHE CA C 13 55.67 0.05 . 1 . . . . 52 PHE CA . 16147 1 639 . 1 1 63 63 PHE CB C 13 40.09 0.05 . 1 . . . . 52 PHE CB . 16147 1 640 . 1 1 63 63 PHE N N 15 129.1 0.1 . 1 . . . . 52 PHE N . 16147 1 641 . 1 1 64 64 ILE H H 1 8.99 0.02 . 1 . . . . 53 ILE H . 16147 1 642 . 1 1 64 64 ILE HA H 1 5.67 0.02 . 1 . . . . 53 ILE HA . 16147 1 643 . 1 1 64 64 ILE HB H 1 2.06 0.02 . 1 . . . . 53 ILE HB . 16147 1 644 . 1 1 64 64 ILE HD11 H 1 0.61 0.02 . 1 . . . . 53 ILE HD1 . 16147 1 645 . 1 1 64 64 ILE HD12 H 1 0.61 0.02 . 1 . . . . 53 ILE HD1 . 16147 1 646 . 1 1 64 64 ILE HD13 H 1 0.61 0.02 . 1 . . . . 53 ILE HD1 . 16147 1 647 . 1 1 64 64 ILE HG12 H 1 1.06 0.02 . 1 . . . . 53 ILE HG12 . 16147 1 648 . 1 1 64 64 ILE HG13 H 1 1.16 0.02 . 1 . . . . 53 ILE HG13 . 16147 1 649 . 1 1 64 64 ILE HG21 H 1 0.91 0.02 . 1 . . . . 53 ILE HG2 . 16147 1 650 . 1 1 64 64 ILE HG22 H 1 0.91 0.02 . 1 . . . . 53 ILE HG2 . 16147 1 651 . 1 1 64 64 ILE HG23 H 1 0.91 0.02 . 1 . . . . 53 ILE HG2 . 16147 1 652 . 1 1 64 64 ILE C C 13 176.78 0.05 . 1 . . . . 53 ILE C . 16147 1 653 . 1 1 64 64 ILE CA C 13 58.41 0.05 . 1 . . . . 53 ILE CA . 16147 1 654 . 1 1 64 64 ILE CB C 13 42 0.05 . 1 . . . . 53 ILE CB . 16147 1 655 . 1 1 64 64 ILE CD1 C 13 13.02 0.05 . 1 . . . . 53 ILE CD1 . 16147 1 656 . 1 1 64 64 ILE CG1 C 13 26.69 0.05 . 1 . . . . 53 ILE CG1 . 16147 1 657 . 1 1 64 64 ILE CG2 C 13 18.76 0.05 . 1 . . . . 53 ILE CG2 . 16147 1 658 . 1 1 64 64 ILE N N 15 114.9 0.1 . 1 . . . . 53 ILE N . 16147 1 659 . 1 1 65 65 LYS H H 1 8.99 0.02 . 1 . . . . 54 LYS H . 16147 1 660 . 1 1 65 65 LYS HA H 1 5.31 0.02 . 1 . . . . 54 LYS HA . 16147 1 661 . 1 1 65 65 LYS HB2 H 1 1.83 0.02 . 1 . . . . 54 LYS HB2 . 16147 1 662 . 1 1 65 65 LYS HB3 H 1 1.86 0.02 . 1 . . . . 54 LYS HB3 . 16147 1 663 . 1 1 65 65 LYS HD2 H 1 1.29 0.02 . 2 . . . . 54 LYS HD2 . 16147 1 664 . 1 1 65 65 LYS HD3 H 1 1.29 0.02 . 2 . . . . 54 LYS HD3 . 16147 1 665 . 1 1 65 65 LYS HE2 H 1 2.33 0.02 . 1 . . . . 54 LYS HE2 . 16147 1 666 . 1 1 65 65 LYS HE3 H 1 2.38 0.02 . 1 . . . . 54 LYS HE3 . 16147 1 667 . 1 1 65 65 LYS HG2 H 1 1.42 0.02 . 1 . . . . 54 LYS HG2 . 16147 1 668 . 1 1 65 65 LYS HG3 H 1 1.44 0.02 . 1 . . . . 54 LYS HG3 . 16147 1 669 . 1 1 65 65 LYS C C 13 172.72 0.05 . 1 . . . . 54 LYS C . 16147 1 670 . 1 1 65 65 LYS CA C 13 54.85 0.05 . 1 . . . . 54 LYS CA . 16147 1 671 . 1 1 65 65 LYS CB C 13 36.26 0.05 . 1 . . . . 54 LYS CB . 16147 1 672 . 1 1 65 65 LYS CD C 13 29.42 0.05 . 1 . . . . 54 LYS CD . 16147 1 673 . 1 1 65 65 LYS CE C 13 41.18 0.05 . 1 . . . . 54 LYS CE . 16147 1 674 . 1 1 65 65 LYS CG C 13 24.23 0.05 . 1 . . . . 54 LYS CG . 16147 1 675 . 1 1 65 65 LYS N N 15 123 0.1 . 1 . . . . 54 LYS N . 16147 1 676 . 1 1 66 66 VAL H H 1 8.75 0.02 . 1 . . . . 55 VAL H . 16147 1 677 . 1 1 66 66 VAL HA H 1 4.24 0.02 . 1 . . . . 55 VAL HA . 16147 1 678 . 1 1 66 66 VAL HB H 1 1.49 0.02 . 1 . . . . 55 VAL HB . 16147 1 679 . 1 1 66 66 VAL HG11 H 1 0.61 0.02 . 2 . . . . 55 VAL HG1 . 16147 1 680 . 1 1 66 66 VAL HG12 H 1 0.61 0.02 . 2 . . . . 55 VAL HG1 . 16147 1 681 . 1 1 66 66 VAL HG13 H 1 0.61 0.02 . 2 . . . . 55 VAL HG1 . 16147 1 682 . 1 1 66 66 VAL HG21 H 1 0.61 0.02 . 2 . . . . 55 VAL HG2 . 16147 1 683 . 1 1 66 66 VAL HG22 H 1 0.61 0.02 . 2 . . . . 55 VAL HG2 . 16147 1 684 . 1 1 66 66 VAL HG23 H 1 0.61 0.02 . 2 . . . . 55 VAL HG2 . 16147 1 685 . 1 1 66 66 VAL C C 13 171.9 0.05 . 1 . . . . 55 VAL C . 16147 1 686 . 1 1 66 66 VAL CA C 13 60.87 0.05 . 1 . . . . 55 VAL CA . 16147 1 687 . 1 1 66 66 VAL CB C 13 35.98 0.05 . 1 . . . . 55 VAL CB . 16147 1 688 . 1 1 66 66 VAL CG1 C 13 21.49 0.05 . 1 . . . . 55 VAL CG1 . 16147 1 689 . 1 1 66 66 VAL CG2 C 13 20.4 0.05 . 1 . . . . 55 VAL CG2 . 16147 1 690 . 1 1 66 66 VAL N N 15 121.7 0.1 . 1 . . . . 55 VAL N . 16147 1 691 . 1 1 67 67 ASP H H 1 9.06 0.02 . 1 . . . . 56 ASP H . 16147 1 692 . 1 1 67 67 ASP HA H 1 3.73 0.02 . 1 . . . . 56 ASP HA . 16147 1 693 . 1 1 67 67 ASP HB2 H 1 2.02 0.02 . 1 . . . . 56 ASP HB2 . 16147 1 694 . 1 1 67 67 ASP HB3 H 1 2.81 0.02 . 1 . . . . 56 ASP HB3 . 16147 1 695 . 1 1 67 67 ASP C C 13 177.9 0.05 . 1 . . . . 56 ASP C . 16147 1 696 . 1 1 67 67 ASP CA C 13 51.57 0.05 . 1 . . . . 56 ASP CA . 16147 1 697 . 1 1 67 67 ASP CB C 13 40.09 0.05 . 1 . . . . 56 ASP CB . 16147 1 698 . 1 1 67 67 ASP N N 15 129.1 0.1 . 1 . . . . 56 ASP N . 16147 1 699 . 1 1 68 68 VAL H H 1 8.54 0.02 . 1 . . . . 57 VAL H . 16147 1 700 . 1 1 68 68 VAL HA H 1 3.73 0.02 . 1 . . . . 57 VAL HA . 16147 1 701 . 1 1 68 68 VAL HB H 1 2.23 0.02 . 1 . . . . 57 VAL HB . 16147 1 702 . 1 1 68 68 VAL HG11 H 1 0.97 0.02 . 1 . . . . 57 VAL HG1 . 16147 1 703 . 1 1 68 68 VAL HG12 H 1 0.97 0.02 . 1 . . . . 57 VAL HG1 . 16147 1 704 . 1 1 68 68 VAL HG13 H 1 0.97 0.02 . 1 . . . . 57 VAL HG1 . 16147 1 705 . 1 1 68 68 VAL HG21 H 1 0.8 0.02 . 1 . . . . 57 VAL HG2 . 16147 1 706 . 1 1 68 68 VAL HG22 H 1 0.8 0.02 . 1 . . . . 57 VAL HG2 . 16147 1 707 . 1 1 68 68 VAL HG23 H 1 0.8 0.02 . 1 . . . . 57 VAL HG2 . 16147 1 708 . 1 1 68 68 VAL C C 13 177.83 0.05 . 1 . . . . 57 VAL C . 16147 1 709 . 1 1 68 68 VAL CA C 13 62.78 0.05 . 1 . . . . 57 VAL CA . 16147 1 710 . 1 1 68 68 VAL CB C 13 30.79 0.05 . 1 . . . . 57 VAL CB . 16147 1 711 . 1 1 68 68 VAL CG1 C 13 22.04 0.05 . 1 . . . . 57 VAL CG1 . 16147 1 712 . 1 1 68 68 VAL CG2 C 13 16.84 0.05 . 1 . . . . 57 VAL CG2 . 16147 1 713 . 1 1 68 68 VAL N N 15 120.1 0.1 . 1 . . . . 57 VAL N . 16147 1 714 . 1 1 69 69 ASP H H 1 8.51 0.02 . 1 . . . . 58 ASP H . 16147 1 715 . 1 1 69 69 ASP HA H 1 4.64 0.02 . 1 . . . . 58 ASP HA . 16147 1 716 . 1 1 69 69 ASP HB2 H 1 2.72 0.02 . 1 . . . . 58 ASP HB2 . 16147 1 717 . 1 1 69 69 ASP HB3 H 1 2.81 0.02 . 1 . . . . 58 ASP HB3 . 16147 1 718 . 1 1 69 69 ASP C C 13 179.49 0.05 . 1 . . . . 58 ASP C . 16147 1 719 . 1 1 69 69 ASP CA C 13 55.67 0.05 . 1 . . . . 58 ASP CA . 16147 1 720 . 1 1 69 69 ASP CB C 13 40.63 0.05 . 1 . . . . 58 ASP CB . 16147 1 721 . 1 1 69 69 ASP N N 15 119.8 0.1 . 1 . . . . 58 ASP N . 16147 1 722 . 1 1 70 70 GLU H H 1 7.73 0.02 . 1 . . . . 59 GLU H . 16147 1 723 . 1 1 70 70 GLU HA H 1 4.26 0.02 . 1 . . . . 59 GLU HA . 16147 1 724 . 1 1 70 70 GLU HB2 H 1 1.89 0.02 . 1 . . . . 59 GLU HB2 . 16147 1 725 . 1 1 70 70 GLU HB3 H 1 2.3 0.02 . 1 . . . . 59 GLU HB3 . 16147 1 726 . 1 1 70 70 GLU HG2 H 1 2.2 0.02 . 1 . . . . 59 GLU HG2 . 16147 1 727 . 1 1 70 70 GLU HG3 H 1 2.3 0.02 . 1 . . . . 59 GLU HG3 . 16147 1 728 . 1 1 70 70 GLU C C 13 177.14 0.05 . 1 . . . . 59 GLU C . 16147 1 729 . 1 1 70 70 GLU CA C 13 57.04 0.05 . 1 . . . . 59 GLU CA . 16147 1 730 . 1 1 70 70 GLU CB C 13 30.79 0.05 . 1 . . . . 59 GLU CB . 16147 1 731 . 1 1 70 70 GLU CG C 13 35.44 0.05 . 1 . . . . 59 GLU CG . 16147 1 732 . 1 1 70 70 GLU N N 15 120.5 0.1 . 1 . . . . 59 GLU N . 16147 1 733 . 1 1 71 71 VAL H H 1 7.7 0.02 . 1 . . . . 60 VAL H . 16147 1 734 . 1 1 71 71 VAL HA H 1 4.44 0.02 . 1 . . . . 60 VAL HA . 16147 1 735 . 1 1 71 71 VAL HB H 1 2 0.02 . 1 . . . . 60 VAL HB . 16147 1 736 . 1 1 71 71 VAL HG11 H 1 0.74 0.02 . 1 . . . . 60 VAL HG1 . 16147 1 737 . 1 1 71 71 VAL HG12 H 1 0.74 0.02 . 1 . . . . 60 VAL HG1 . 16147 1 738 . 1 1 71 71 VAL HG13 H 1 0.74 0.02 . 1 . . . . 60 VAL HG1 . 16147 1 739 . 1 1 71 71 VAL HG21 H 1 0.83 0.02 . 1 . . . . 60 VAL HG2 . 16147 1 740 . 1 1 71 71 VAL HG22 H 1 0.83 0.02 . 1 . . . . 60 VAL HG2 . 16147 1 741 . 1 1 71 71 VAL HG23 H 1 0.83 0.02 . 1 . . . . 60 VAL HG2 . 16147 1 742 . 1 1 71 71 VAL C C 13 176.19 0.05 . 1 . . . . 60 VAL C . 16147 1 743 . 1 1 71 71 VAL CA C 13 58.95 0.05 . 1 . . . . 60 VAL CA . 16147 1 744 . 1 1 71 71 VAL CB C 13 28.87 0.05 . 1 . . . . 60 VAL CB . 16147 1 745 . 1 1 71 71 VAL CG1 C 13 23.68 0.05 . 1 . . . . 60 VAL CG1 . 16147 1 746 . 1 1 71 71 VAL CG2 C 13 20.67 0.05 . 1 . . . . 60 VAL CG2 . 16147 1 747 . 1 1 71 71 VAL N N 15 120.6 0.1 . 1 . . . . 60 VAL N . 16147 1 748 . 1 1 72 72 SER H H 1 7.87 0.02 . 1 . . . . 61 SER H . 16147 1 749 . 1 1 72 72 SER HA H 1 4.13 0.02 . 1 . . . . 61 SER HA . 16147 1 750 . 1 1 72 72 SER HB2 H 1 3.92 0.02 . 2 . . . . 61 SER HB2 . 16147 1 751 . 1 1 72 72 SER HB3 H 1 3.92 0.02 . 2 . . . . 61 SER HB3 . 16147 1 752 . 1 1 72 72 SER C C 13 176.74 0.05 . 1 . . . . 61 SER C . 16147 1 753 . 1 1 72 72 SER CA C 13 62.23 0.05 . 1 . . . . 61 SER CA . 16147 1 754 . 1 1 72 72 SER CB C 13 62.51 0.05 . 1 . . . . 61 SER CB . 16147 1 755 . 1 1 72 72 SER N N 15 118.8 0.1 . 1 . . . . 61 SER N . 16147 1 756 . 1 1 73 73 GLU H H 1 9.65 0.02 . 1 . . . . 62 GLU H . 16147 1 757 . 1 1 73 73 GLU HA H 1 4.13 0.02 . 1 . . . . 62 GLU HA . 16147 1 758 . 1 1 73 73 GLU HB2 H 1 1.92 0.02 . 1 . . . . 62 GLU HB2 . 16147 1 759 . 1 1 73 73 GLU HB3 H 1 2.04 0.02 . 1 . . . . 62 GLU HB3 . 16147 1 760 . 1 1 73 73 GLU HG2 H 1 2.37 0.02 . 1 . . . . 62 GLU HG2 . 16147 1 761 . 1 1 73 73 GLU HG3 H 1 2.43 0.02 . 1 . . . . 62 GLU HG3 . 16147 1 762 . 1 1 73 73 GLU C C 13 179.64 0.05 . 1 . . . . 62 GLU C . 16147 1 763 . 1 1 73 73 GLU CA C 13 59.5 0.05 . 1 . . . . 62 GLU CA . 16147 1 764 . 1 1 73 73 GLU CB C 13 29.42 0.05 . 1 . . . . 62 GLU CB . 16147 1 765 . 1 1 73 73 GLU CG C 13 36.53 0.05 . 1 . . . . 62 GLU CG . 16147 1 766 . 1 1 73 73 GLU N N 15 121.5 0.1 . 1 . . . . 62 GLU N . 16147 1 767 . 1 1 74 74 VAL H H 1 7.14 0.02 . 1 . . . . 63 VAL H . 16147 1 768 . 1 1 74 74 VAL HA H 1 3.7 0.02 . 1 . . . . 63 VAL HA . 16147 1 769 . 1 1 74 74 VAL HB H 1 1.88 0.02 . 1 . . . . 63 VAL HB . 16147 1 770 . 1 1 74 74 VAL HG11 H 1 0.63 0.02 . 1 . . . . 63 VAL HG1 . 16147 1 771 . 1 1 74 74 VAL HG12 H 1 0.63 0.02 . 1 . . . . 63 VAL HG1 . 16147 1 772 . 1 1 74 74 VAL HG13 H 1 0.63 0.02 . 1 . . . . 63 VAL HG1 . 16147 1 773 . 1 1 74 74 VAL HG21 H 1 0.33 0.02 . 1 . . . . 63 VAL HG2 . 16147 1 774 . 1 1 74 74 VAL HG22 H 1 0.33 0.02 . 1 . . . . 63 VAL HG2 . 16147 1 775 . 1 1 74 74 VAL HG23 H 1 0.33 0.02 . 1 . . . . 63 VAL HG2 . 16147 1 776 . 1 1 74 74 VAL C C 13 176.35 0.05 . 1 . . . . 63 VAL C . 16147 1 777 . 1 1 74 74 VAL CA C 13 64.69 0.05 . 1 . . . . 63 VAL CA . 16147 1 778 . 1 1 74 74 VAL CB C 13 31.06 0.05 . 1 . . . . 63 VAL CB . 16147 1 779 . 1 1 74 74 VAL CG1 C 13 22.86 0.05 . 1 . . . . 63 VAL CG1 . 16147 1 780 . 1 1 74 74 VAL CG2 C 13 20.67 0.05 . 1 . . . . 63 VAL CG2 . 16147 1 781 . 1 1 74 74 VAL N N 15 117.8 0.1 . 1 . . . . 63 VAL N . 16147 1 782 . 1 1 75 75 THR H H 1 7.67 0.02 . 1 . . . . 64 THR H . 16147 1 783 . 1 1 75 75 THR HA H 1 3.31 0.02 . 1 . . . . 64 THR HA . 16147 1 784 . 1 1 75 75 THR HB H 1 4.26 0.02 . 1 . . . . 64 THR HB . 16147 1 785 . 1 1 75 75 THR HG21 H 1 1.12 0.02 . 1 . . . . 64 THR HG2 . 16147 1 786 . 1 1 75 75 THR HG22 H 1 1.12 0.02 . 1 . . . . 64 THR HG2 . 16147 1 787 . 1 1 75 75 THR HG23 H 1 1.12 0.02 . 1 . . . . 64 THR HG2 . 16147 1 788 . 1 1 75 75 THR C C 13 175.92 0.05 . 1 . . . . 64 THR C . 16147 1 789 . 1 1 75 75 THR CA C 13 66.06 0.05 . 1 . . . . 64 THR CA . 16147 1 790 . 1 1 75 75 THR CB C 13 67.43 0.05 . 1 . . . . 64 THR CB . 16147 1 791 . 1 1 75 75 THR CG2 C 13 22.31 0.05 . 1 . . . . 64 THR CG2 . 16147 1 792 . 1 1 75 75 THR N N 15 116.9 0.1 . 1 . . . . 64 THR N . 16147 1 793 . 1 1 76 76 GLU H H 1 7.83 0.02 . 1 . . . . 65 GLU H . 16147 1 794 . 1 1 76 76 GLU HA H 1 4.11 0.02 . 1 . . . . 65 GLU HA . 16147 1 795 . 1 1 76 76 GLU HB2 H 1 1.99 0.02 . 2 . . . . 65 GLU HB2 . 16147 1 796 . 1 1 76 76 GLU HB3 H 1 1.99 0.02 . 2 . . . . 65 GLU HB3 . 16147 1 797 . 1 1 76 76 GLU HG2 H 1 2.2 0.02 . 1 . . . . 65 GLU HG2 . 16147 1 798 . 1 1 76 76 GLU HG3 H 1 2.31 0.02 . 1 . . . . 65 GLU HG3 . 16147 1 799 . 1 1 76 76 GLU C C 13 179.42 0.05 . 1 . . . . 65 GLU C . 16147 1 800 . 1 1 76 76 GLU CA C 13 58.41 0.05 . 1 . . . . 65 GLU CA . 16147 1 801 . 1 1 76 76 GLU CB C 13 29.42 0.05 . 1 . . . . 65 GLU CB . 16147 1 802 . 1 1 76 76 GLU CG C 13 35.71 0.05 . 1 . . . . 65 GLU CG . 16147 1 803 . 1 1 76 76 GLU N N 15 118.3 0.1 . 1 . . . . 65 GLU N . 16147 1 804 . 1 1 77 77 LYS H H 1 7.71 0.02 . 1 . . . . 66 LYS H . 16147 1 805 . 1 1 77 77 LYS HA H 1 4.07 0.02 . 1 . . . . 66 LYS HA . 16147 1 806 . 1 1 77 77 LYS HB2 H 1 1.9 0.02 . 1 . . . . 66 LYS HB2 . 16147 1 807 . 1 1 77 77 LYS HB3 H 1 1.99 0.02 . 1 . . . . 66 LYS HB3 . 16147 1 808 . 1 1 77 77 LYS HD2 H 1 1.71 0.02 . 2 . . . . 66 LYS HD2 . 16147 1 809 . 1 1 77 77 LYS HD3 H 1 1.71 0.02 . 2 . . . . 66 LYS HD3 . 16147 1 810 . 1 1 77 77 LYS HE2 H 1 3.01 0.02 . 2 . . . . 66 LYS HE2 . 16147 1 811 . 1 1 77 77 LYS HE3 H 1 3.01 0.02 . 2 . . . . 66 LYS HE3 . 16147 1 812 . 1 1 77 77 LYS HG2 H 1 1.57 0.02 . 2 . . . . 66 LYS HG2 . 16147 1 813 . 1 1 77 77 LYS HG3 H 1 1.57 0.02 . 2 . . . . 66 LYS HG3 . 16147 1 814 . 1 1 77 77 LYS C C 13 178.33 0.05 . 1 . . . . 66 LYS C . 16147 1 815 . 1 1 77 77 LYS CA C 13 58.95 0.05 . 1 . . . . 66 LYS CA . 16147 1 816 . 1 1 77 77 LYS CB C 13 32.43 0.05 . 1 . . . . 66 LYS CB . 16147 1 817 . 1 1 77 77 LYS CD C 13 28.87 0.05 . 1 . . . . 66 LYS CD . 16147 1 818 . 1 1 77 77 LYS CE C 13 41.45 0.05 . 1 . . . . 66 LYS CE . 16147 1 819 . 1 1 77 77 LYS CG C 13 24.77 0.05 . 1 . . . . 66 LYS CG . 16147 1 820 . 1 1 77 77 LYS N N 15 120.6 0.1 . 1 . . . . 66 LYS N . 16147 1 821 . 1 1 78 78 GLU H H 1 8.2 0.02 . 1 . . . . 67 GLU H . 16147 1 822 . 1 1 78 78 GLU HA H 1 4.24 0.02 . 1 . . . . 67 GLU HA . 16147 1 823 . 1 1 78 78 GLU HB2 H 1 1.43 0.02 . 1 . . . . 67 GLU HB2 . 16147 1 824 . 1 1 78 78 GLU HB3 H 1 1.88 0.02 . 1 . . . . 67 GLU HB3 . 16147 1 825 . 1 1 78 78 GLU HG2 H 1 2.26 0.02 . 2 . . . . 67 GLU HG2 . 16147 1 826 . 1 1 78 78 GLU HG3 H 1 2.26 0.02 . 2 . . . . 67 GLU HG3 . 16147 1 827 . 1 1 78 78 GLU C C 13 175.12 0.05 . 1 . . . . 67 GLU C . 16147 1 828 . 1 1 78 78 GLU CA C 13 54.58 0.05 . 1 . . . . 67 GLU CA . 16147 1 829 . 1 1 78 78 GLU CB C 13 28.6 0.05 . 1 . . . . 67 GLU CB . 16147 1 830 . 1 1 78 78 GLU CG C 13 36.53 0.05 . 1 . . . . 67 GLU CG . 16147 1 831 . 1 1 78 78 GLU N N 15 113.7 0.1 . 1 . . . . 67 GLU N . 16147 1 832 . 1 1 79 79 ASN H H 1 7.6 0.02 . 1 . . . . 68 ASN H . 16147 1 833 . 1 1 79 79 ASN HA H 1 4.24 0.02 . 1 . . . . 68 ASN HA . 16147 1 834 . 1 1 79 79 ASN HB2 H 1 2.52 0.02 . 1 . . . . 68 ASN HB2 . 16147 1 835 . 1 1 79 79 ASN HB3 H 1 3.04 0.02 . 1 . . . . 68 ASN HB3 . 16147 1 836 . 1 1 79 79 ASN HD21 H 1 7.47 0.02 . 1 . . . . 68 ASN HD21 . 16147 1 837 . 1 1 79 79 ASN HD22 H 1 6.67 0.02 . 1 . . . . 68 ASN HD22 . 16147 1 838 . 1 1 79 79 ASN C C 13 173.64 0.05 . 1 . . . . 68 ASN C . 16147 1 839 . 1 1 79 79 ASN CA C 13 53.21 0.05 . 1 . . . . 68 ASN CA . 16147 1 840 . 1 1 79 79 ASN CB C 13 36.53 0.05 . 1 . . . . 68 ASN CB . 16147 1 841 . 1 1 79 79 ASN N N 15 117.1 0.1 . 1 . . . . 68 ASN N . 16147 1 842 . 1 1 80 80 ILE H H 1 7.89 0.02 . 1 . . . . 69 ILE H . 16147 1 843 . 1 1 80 80 ILE HA H 1 4.11 0.02 . 1 . . . . 69 ILE HA . 16147 1 844 . 1 1 80 80 ILE HB H 1 1.93 0.02 . 1 . . . . 69 ILE HB . 16147 1 845 . 1 1 80 80 ILE HD11 H 1 -0.29 0.02 . 1 . . . . 69 ILE HD1 . 16147 1 846 . 1 1 80 80 ILE HD12 H 1 -0.29 0.02 . 1 . . . . 69 ILE HD1 . 16147 1 847 . 1 1 80 80 ILE HD13 H 1 -0.29 0.02 . 1 . . . . 69 ILE HD1 . 16147 1 848 . 1 1 80 80 ILE HG12 H 1 0.25 0.02 . 1 . . . . 69 ILE HG12 . 16147 1 849 . 1 1 80 80 ILE HG13 H 1 1.1 0.02 . 1 . . . . 69 ILE HG13 . 16147 1 850 . 1 1 80 80 ILE HG21 H 1 0.69 0.02 . 1 . . . . 69 ILE HG2 . 16147 1 851 . 1 1 80 80 ILE HG22 H 1 0.69 0.02 . 1 . . . . 69 ILE HG2 . 16147 1 852 . 1 1 80 80 ILE HG23 H 1 0.69 0.02 . 1 . . . . 69 ILE HG2 . 16147 1 853 . 1 1 80 80 ILE C C 13 177.17 0.05 . 1 . . . . 69 ILE C . 16147 1 854 . 1 1 80 80 ILE CA C 13 58.41 0.05 . 1 . . . . 69 ILE CA . 16147 1 855 . 1 1 80 80 ILE CB C 13 34.34 0.05 . 1 . . . . 69 ILE CB . 16147 1 856 . 1 1 80 80 ILE CD1 C 13 8.09 0.05 . 1 . . . . 69 ILE CD1 . 16147 1 857 . 1 1 80 80 ILE CG1 C 13 26.14 0.05 . 1 . . . . 69 ILE CG1 . 16147 1 858 . 1 1 80 80 ILE CG2 C 13 17.12 0.05 . 1 . . . . 69 ILE CG2 . 16147 1 859 . 1 1 80 80 ILE N N 15 118.8 0.1 . 1 . . . . 69 ILE N . 16147 1 860 . 1 1 81 81 THR H H 1 8.84 0.02 . 1 . . . . 70 THR H . 16147 1 861 . 1 1 81 81 THR HA H 1 4.43 0.02 . 1 . . . . 70 THR HA . 16147 1 862 . 1 1 81 81 THR HB H 1 4.37 0.02 . 1 . . . . 70 THR HB . 16147 1 863 . 1 1 81 81 THR HG21 H 1 1.04 0.02 . 1 . . . . 70 THR HG2 . 16147 1 864 . 1 1 81 81 THR HG22 H 1 1.04 0.02 . 1 . . . . 70 THR HG2 . 16147 1 865 . 1 1 81 81 THR HG23 H 1 1.04 0.02 . 1 . . . . 70 THR HG2 . 16147 1 866 . 1 1 81 81 THR C C 13 174.05 0.05 . 1 . . . . 70 THR C . 16147 1 867 . 1 1 81 81 THR CA C 13 61.14 0.05 . 1 . . . . 70 THR CA . 16147 1 868 . 1 1 81 81 THR CB C 13 70.16 0.05 . 1 . . . . 70 THR CB . 16147 1 869 . 1 1 81 81 THR CG2 C 13 20.95 0.05 . 1 . . . . 70 THR CG2 . 16147 1 870 . 1 1 81 81 THR N N 15 118.4 0.1 . 1 . . . . 70 THR N . 16147 1 871 . 1 1 82 82 SER H H 1 7.68 0.02 . 1 . . . . 71 SER H . 16147 1 872 . 1 1 82 82 SER HA H 1 4.37 0.02 . 1 . . . . 71 SER HA . 16147 1 873 . 1 1 82 82 SER HB2 H 1 3.7 0.02 . 1 . . . . 71 SER HB2 . 16147 1 874 . 1 1 82 82 SER HB3 H 1 3.78 0.02 . 1 . . . . 71 SER HB3 . 16147 1 875 . 1 1 82 82 SER HG H 1 5.48 0.02 . 1 . . . . 71 SER HG . 16147 1 876 . 1 1 82 82 SER C C 13 172.98 0.05 . 1 . . . . 71 SER C . 16147 1 877 . 1 1 82 82 SER CA C 13 57.86 0.05 . 1 . . . . 71 SER CA . 16147 1 878 . 1 1 82 82 SER CB C 13 63.33 0.05 . 1 . . . . 71 SER CB . 16147 1 879 . 1 1 82 82 SER N N 15 117 0.1 . 1 . . . . 71 SER N . 16147 1 880 . 1 1 83 83 MET H H 1 8.75 0.02 . 1 . . . . 72 MET H . 16147 1 881 . 1 1 83 83 MET HA H 1 5 0.02 . 1 . . . . 72 MET HA . 16147 1 882 . 1 1 83 83 MET HB2 H 1 2.21 0.02 . 1 . . . . 72 MET HB2 . 16147 1 883 . 1 1 83 83 MET HB3 H 1 2.4 0.02 . 1 . . . . 72 MET HB3 . 16147 1 884 . 1 1 83 83 MET HE1 H 1 2.05 0.02 . 1 . . . . 72 MET HE . 16147 1 885 . 1 1 83 83 MET HE2 H 1 2.05 0.02 . 1 . . . . 72 MET HE . 16147 1 886 . 1 1 83 83 MET HE3 H 1 2.05 0.02 . 1 . . . . 72 MET HE . 16147 1 887 . 1 1 83 83 MET HG2 H 1 1.77 0.02 . 1 . . . . 72 MET HG2 . 16147 1 888 . 1 1 83 83 MET HG3 H 1 2.01 0.02 . 1 . . . . 72 MET HG3 . 16147 1 889 . 1 1 83 83 MET CA C 13 51.84 0.05 . 1 . . . . 72 MET CA . 16147 1 890 . 1 1 83 83 MET CB C 13 32.7 0.05 . 1 . . . . 72 MET CB . 16147 1 891 . 1 1 83 83 MET CG C 13 33.52 0.05 . 1 . . . . 72 MET CG . 16147 1 892 . 1 1 83 83 MET N N 15 121.6 0.1 . 1 . . . . 72 MET N . 16147 1 893 . 1 1 84 84 PRO HA H 1 5.14 0.02 . 1 . . . . 73 PRO HA . 16147 1 894 . 1 1 84 84 PRO HB2 H 1 1.53 0.02 . 1 . . . . 73 PRO HB2 . 16147 1 895 . 1 1 84 84 PRO HB3 H 1 2.3 0.02 . 1 . . . . 73 PRO HB3 . 16147 1 896 . 1 1 84 84 PRO HD2 H 1 3.37 0.02 . 1 . . . . 73 PRO HD2 . 16147 1 897 . 1 1 84 84 PRO HD3 H 1 3.7 0.02 . 1 . . . . 73 PRO HD3 . 16147 1 898 . 1 1 84 84 PRO HG2 H 1 1.72 0.02 . 1 . . . . 73 PRO HG2 . 16147 1 899 . 1 1 84 84 PRO HG3 H 1 1.87 0.02 . 1 . . . . 73 PRO HG3 . 16147 1 900 . 1 1 84 84 PRO C C 13 176.73 0.05 . 1 . . . . 73 PRO C . 16147 1 901 . 1 1 84 84 PRO CA C 13 63.6 0.05 . 1 . . . . 73 PRO CA . 16147 1 902 . 1 1 84 84 PRO CB C 13 34.07 0.05 . 1 . . . . 73 PRO CB . 16147 1 903 . 1 1 84 84 PRO CD C 13 49.66 0.05 . 1 . . . . 73 PRO CD . 16147 1 904 . 1 1 85 85 THR H H 1 8.11 0.02 . 1 . . . . 74 THR H . 16147 1 905 . 1 1 85 85 THR HA H 1 4.91 0.02 . 1 . . . . 74 THR HA . 16147 1 906 . 1 1 85 85 THR HB H 1 3.9 0.02 . 1 . . . . 74 THR HB . 16147 1 907 . 1 1 85 85 THR HG1 H 1 5.46 0.02 . 1 . . . . 74 THR HG1 . 16147 1 908 . 1 1 85 85 THR HG21 H 1 1.16 0.02 . 1 . . . . 74 THR HG2 . 16147 1 909 . 1 1 85 85 THR HG22 H 1 1.16 0.02 . 1 . . . . 74 THR HG2 . 16147 1 910 . 1 1 85 85 THR HG23 H 1 1.16 0.02 . 1 . . . . 74 THR HG2 . 16147 1 911 . 1 1 85 85 THR C C 13 171.58 0.05 . 1 . . . . 74 THR C . 16147 1 912 . 1 1 85 85 THR CA C 13 62.78 0.05 . 1 . . . . 74 THR CA . 16147 1 913 . 1 1 85 85 THR CB C 13 72.35 0.05 . 1 . . . . 74 THR CB . 16147 1 914 . 1 1 85 85 THR CG2 C 13 21.49 0.05 . 1 . . . . 74 THR CG2 . 16147 1 915 . 1 1 85 85 THR N N 15 116.3 0.1 . 1 . . . . 74 THR N . 16147 1 916 . 1 1 86 86 PHE H H 1 9.66 0.02 . 1 . . . . 75 PHE H . 16147 1 917 . 1 1 86 86 PHE HA H 1 6.27 0.02 . 1 . . . . 75 PHE HA . 16147 1 918 . 1 1 86 86 PHE HB2 H 1 2.74 0.02 . 1 . . . . 75 PHE HB2 . 16147 1 919 . 1 1 86 86 PHE HB3 H 1 2.96 0.02 . 1 . . . . 75 PHE HB3 . 16147 1 920 . 1 1 86 86 PHE HD1 H 1 7.04 0.02 . 3 . . . . 75 PHE HD1 . 16147 1 921 . 1 1 86 86 PHE HD2 H 1 7.04 0.02 . 3 . . . . 75 PHE HD2 . 16147 1 922 . 1 1 86 86 PHE HE1 H 1 6.91 0.02 . 3 . . . . 75 PHE HE1 . 16147 1 923 . 1 1 86 86 PHE HE2 H 1 6.91 0.02 . 3 . . . . 75 PHE HE2 . 16147 1 924 . 1 1 86 86 PHE C C 13 175.97 0.05 . 1 . . . . 75 PHE C . 16147 1 925 . 1 1 86 86 PHE CA C 13 55.4 0.05 . 1 . . . . 75 PHE CA . 16147 1 926 . 1 1 86 86 PHE CB C 13 41.18 0.05 . 1 . . . . 75 PHE CB . 16147 1 927 . 1 1 86 86 PHE N N 15 124.7 0.1 . 1 . . . . 75 PHE N . 16147 1 928 . 1 1 87 87 LYS H H 1 8.88 0.02 . 1 . . . . 76 LYS H . 16147 1 929 . 1 1 87 87 LYS HA H 1 5.45 0.02 . 1 . . . . 76 LYS HA . 16147 1 930 . 1 1 87 87 LYS HB2 H 1 1.66 0.02 . 1 . . . . 76 LYS HB2 . 16147 1 931 . 1 1 87 87 LYS HB3 H 1 1.91 0.02 . 1 . . . . 76 LYS HB3 . 16147 1 932 . 1 1 87 87 LYS HD2 H 1 1.73 0.02 . 1 . . . . 76 LYS HD2 . 16147 1 933 . 1 1 87 87 LYS HD3 H 1 1.78 0.02 . 1 . . . . 76 LYS HD3 . 16147 1 934 . 1 1 87 87 LYS HE2 H 1 2.81 0.02 . 1 . . . . 76 LYS HE2 . 16147 1 935 . 1 1 87 87 LYS HE3 H 1 2.83 0.02 . 1 . . . . 76 LYS HE3 . 16147 1 936 . 1 1 87 87 LYS HG2 H 1 1.53 0.02 . 1 . . . . 76 LYS HG2 . 16147 1 937 . 1 1 87 87 LYS HG3 H 1 1.78 0.02 . 1 . . . . 76 LYS HG3 . 16147 1 938 . 1 1 87 87 LYS C C 13 174.44 0.05 . 1 . . . . 76 LYS C . 16147 1 939 . 1 1 87 87 LYS CA C 13 55.12 0.05 . 1 . . . . 76 LYS CA . 16147 1 940 . 1 1 87 87 LYS CB C 13 37.62 0.05 . 1 . . . . 76 LYS CB . 16147 1 941 . 1 1 87 87 LYS CD C 13 29.15 0.05 . 1 . . . . 76 LYS CD . 16147 1 942 . 1 1 87 87 LYS CE C 13 41.45 0.05 . 1 . . . . 76 LYS CE . 16147 1 943 . 1 1 87 87 LYS CG C 13 26.14 0.05 . 1 . . . . 76 LYS CG . 16147 1 944 . 1 1 87 87 LYS N N 15 120.1 0.1 . 1 . . . . 76 LYS N . 16147 1 945 . 1 1 88 88 VAL H H 1 8.04 0.02 . 1 . . . . 77 VAL H . 16147 1 946 . 1 1 88 88 VAL HA H 1 4.79 0.02 . 1 . . . . 77 VAL HA . 16147 1 947 . 1 1 88 88 VAL HB H 1 1.23 0.02 . 1 . . . . 77 VAL HB . 16147 1 948 . 1 1 88 88 VAL HG11 H 1 0.67 0.02 . 1 . . . . 77 VAL HG1 . 16147 1 949 . 1 1 88 88 VAL HG12 H 1 0.67 0.02 . 1 . . . . 77 VAL HG1 . 16147 1 950 . 1 1 88 88 VAL HG13 H 1 0.67 0.02 . 1 . . . . 77 VAL HG1 . 16147 1 951 . 1 1 88 88 VAL HG21 H 1 0.04 0.02 . 1 . . . . 77 VAL HG2 . 16147 1 952 . 1 1 88 88 VAL HG22 H 1 0.04 0.02 . 1 . . . . 77 VAL HG2 . 16147 1 953 . 1 1 88 88 VAL HG23 H 1 0.04 0.02 . 1 . . . . 77 VAL HG2 . 16147 1 954 . 1 1 88 88 VAL C C 13 174.22 0.05 . 1 . . . . 77 VAL C . 16147 1 955 . 1 1 88 88 VAL CA C 13 60.59 0.05 . 1 . . . . 77 VAL CA . 16147 1 956 . 1 1 88 88 VAL CB C 13 33.52 0.05 . 1 . . . . 77 VAL CB . 16147 1 957 . 1 1 88 88 VAL CG1 C 13 20.95 0.05 . 1 . . . . 77 VAL CG1 . 16147 1 958 . 1 1 88 88 VAL CG2 C 13 19.58 0.05 . 1 . . . . 77 VAL CG2 . 16147 1 959 . 1 1 88 88 VAL N N 15 120.8 0.1 . 1 . . . . 77 VAL N . 16147 1 960 . 1 1 89 89 TYR H H 1 9.86 0.02 . 1 . . . . 78 TYR H . 16147 1 961 . 1 1 89 89 TYR HA H 1 4.86 0.02 . 1 . . . . 78 TYR HA . 16147 1 962 . 1 1 89 89 TYR HB2 H 1 2.38 0.02 . 1 . . . . 78 TYR HB2 . 16147 1 963 . 1 1 89 89 TYR HB3 H 1 2.68 0.02 . 1 . . . . 78 TYR HB3 . 16147 1 964 . 1 1 89 89 TYR HD1 H 1 6.63 0.02 . 3 . . . . 78 TYR HD1 . 16147 1 965 . 1 1 89 89 TYR HD2 H 1 6.63 0.02 . 3 . . . . 78 TYR HD2 . 16147 1 966 . 1 1 89 89 TYR HE1 H 1 6.78 0.02 . 3 . . . . 78 TYR HE1 . 16147 1 967 . 1 1 89 89 TYR HE2 H 1 6.78 0.02 . 3 . . . . 78 TYR HE2 . 16147 1 968 . 1 1 89 89 TYR C C 13 173.84 0.05 . 1 . . . . 78 TYR C . 16147 1 969 . 1 1 89 89 TYR CA C 13 56.22 0.05 . 1 . . . . 78 TYR CA . 16147 1 970 . 1 1 89 89 TYR CB C 13 40.36 0.05 . 1 . . . . 78 TYR CB . 16147 1 971 . 1 1 89 89 TYR N N 15 128.2 0.1 . 1 . . . . 78 TYR N . 16147 1 972 . 1 1 90 90 LYS H H 1 8.69 0.02 . 1 . . . . 79 LYS H . 16147 1 973 . 1 1 90 90 LYS HA H 1 5.63 0.02 . 1 . . . . 79 LYS HA . 16147 1 974 . 1 1 90 90 LYS HB2 H 1 1.27 0.02 . 1 . . . . 79 LYS HB2 . 16147 1 975 . 1 1 90 90 LYS HB3 H 1 1.83 0.02 . 1 . . . . 79 LYS HB3 . 16147 1 976 . 1 1 90 90 LYS HD2 H 1 1.79 0.02 . 2 . . . . 79 LYS HD2 . 16147 1 977 . 1 1 90 90 LYS HD3 H 1 1.79 0.02 . 2 . . . . 79 LYS HD3 . 16147 1 978 . 1 1 90 90 LYS HE2 H 1 3.08 0.02 . 2 . . . . 79 LYS HE2 . 16147 1 979 . 1 1 90 90 LYS HE3 H 1 3.08 0.02 . 2 . . . . 79 LYS HE3 . 16147 1 980 . 1 1 90 90 LYS HG2 H 1 1.38 0.02 . 1 . . . . 79 LYS HG2 . 16147 1 981 . 1 1 90 90 LYS HG3 H 1 1.44 0.02 . 1 . . . . 79 LYS HG3 . 16147 1 982 . 1 1 90 90 LYS C C 13 177 0.05 . 1 . . . . 79 LYS C . 16147 1 983 . 1 1 90 90 LYS CA C 13 53.21 0.05 . 1 . . . . 79 LYS CA . 16147 1 984 . 1 1 90 90 LYS CB C 13 36.26 0.05 . 1 . . . . 79 LYS CB . 16147 1 985 . 1 1 90 90 LYS CD C 13 29.42 0.05 . 1 . . . . 79 LYS CD . 16147 1 986 . 1 1 90 90 LYS CE C 13 41.73 0.05 . 1 . . . . 79 LYS CE . 16147 1 987 . 1 1 90 90 LYS CG C 13 25.05 0.05 . 1 . . . . 79 LYS CG . 16147 1 988 . 1 1 90 90 LYS N N 15 121.8 0.1 . 1 . . . . 79 LYS N . 16147 1 989 . 1 1 91 91 ASN H H 1 10.15 0.02 . 1 . . . . 80 ASN H . 16147 1 990 . 1 1 91 91 ASN HA H 1 4.58 0.02 . 1 . . . . 80 ASN HA . 16147 1 991 . 1 1 91 91 ASN HB2 H 1 2.85 0.02 . 1 . . . . 80 ASN HB2 . 16147 1 992 . 1 1 91 91 ASN HB3 H 1 3.1 0.02 . 1 . . . . 80 ASN HB3 . 16147 1 993 . 1 1 91 91 ASN HD21 H 1 7.17 0.02 . 1 . . . . 80 ASN HD21 . 16147 1 994 . 1 1 91 91 ASN HD22 H 1 7.81 0.02 . 1 . . . . 80 ASN HD22 . 16147 1 995 . 1 1 91 91 ASN C C 13 176.17 0.05 . 1 . . . . 80 ASN C . 16147 1 996 . 1 1 91 91 ASN CA C 13 54.58 0.05 . 1 . . . . 80 ASN CA . 16147 1 997 . 1 1 91 91 ASN CB C 13 37.35 0.05 . 1 . . . . 80 ASN CB . 16147 1 998 . 1 1 91 91 ASN N N 15 125.5 0.1 . 1 . . . . 80 ASN N . 16147 1 999 . 1 1 92 92 GLY H H 1 9.52 0.02 . 1 . . . . 81 GLY H . 16147 1 1000 . 1 1 92 92 GLY HA2 H 1 3.55 0.02 . 1 . . . . 81 GLY HA2 . 16147 1 1001 . 1 1 92 92 GLY HA3 H 1 4.23 0.02 . 1 . . . . 81 GLY HA3 . 16147 1 1002 . 1 1 92 92 GLY C C 13 174.25 0.05 . 1 . . . . 81 GLY C . 16147 1 1003 . 1 1 92 92 GLY CA C 13 45.01 0.05 . 1 . . . . 81 GLY CA . 16147 1 1004 . 1 1 92 92 GLY N N 15 104.9 0.1 . 1 . . . . 81 GLY N . 16147 1 1005 . 1 1 93 93 SER H H 1 7.63 0.02 . 1 . . . . 82 SER H . 16147 1 1006 . 1 1 93 93 SER HA H 1 5.01 0.02 . 1 . . . . 82 SER HA . 16147 1 1007 . 1 1 93 93 SER HB2 H 1 3.69 0.02 . 1 . . . . 82 SER HB2 . 16147 1 1008 . 1 1 93 93 SER HB3 H 1 3.85 0.02 . 1 . . . . 82 SER HB3 . 16147 1 1009 . 1 1 93 93 SER C C 13 172.76 0.05 . 1 . . . . 82 SER C . 16147 1 1010 . 1 1 93 93 SER CA C 13 56.77 0.05 . 1 . . . . 82 SER CA . 16147 1 1011 . 1 1 93 93 SER CB C 13 65.24 0.05 . 1 . . . . 82 SER CB . 16147 1 1012 . 1 1 93 93 SER N N 15 114.5 0.1 . 1 . . . . 82 SER N . 16147 1 1013 . 1 1 94 94 SER H H 1 9.13 0.02 . 1 . . . . 83 SER H . 16147 1 1014 . 1 1 94 94 SER HA H 1 4.07 0.02 . 1 . . . . 83 SER HA . 16147 1 1015 . 1 1 94 94 SER HB2 H 1 3.41 0.02 . 1 . . . . 83 SER HB2 . 16147 1 1016 . 1 1 94 94 SER HB3 H 1 3.56 0.02 . 1 . . . . 83 SER HB3 . 16147 1 1017 . 1 1 94 94 SER C C 13 176.24 0.05 . 1 . . . . 83 SER C . 16147 1 1018 . 1 1 94 94 SER CA C 13 57.86 0.05 . 1 . . . . 83 SER CA . 16147 1 1019 . 1 1 94 94 SER CB C 13 62.51 0.05 . 1 . . . . 83 SER CB . 16147 1 1020 . 1 1 94 94 SER N N 15 120.2 0.1 . 1 . . . . 83 SER N . 16147 1 1021 . 1 1 95 95 VAL H H 1 8.94 0.02 . 1 . . . . 84 VAL H . 16147 1 1022 . 1 1 95 95 VAL HA H 1 4.6 0.02 . 1 . . . . 84 VAL HA . 16147 1 1023 . 1 1 95 95 VAL HB H 1 2.42 0.02 . 1 . . . . 84 VAL HB . 16147 1 1024 . 1 1 95 95 VAL HG11 H 1 0.96 0.02 . 1 . . . . 84 VAL HG1 . 16147 1 1025 . 1 1 95 95 VAL HG12 H 1 0.96 0.02 . 1 . . . . 84 VAL HG1 . 16147 1 1026 . 1 1 95 95 VAL HG13 H 1 0.96 0.02 . 1 . . . . 84 VAL HG1 . 16147 1 1027 . 1 1 95 95 VAL HG21 H 1 0.48 0.02 . 1 . . . . 84 VAL HG2 . 16147 1 1028 . 1 1 95 95 VAL HG22 H 1 0.48 0.02 . 1 . . . . 84 VAL HG2 . 16147 1 1029 . 1 1 95 95 VAL HG23 H 1 0.48 0.02 . 1 . . . . 84 VAL HG2 . 16147 1 1030 . 1 1 95 95 VAL C C 13 175.12 0.05 . 1 . . . . 84 VAL C . 16147 1 1031 . 1 1 95 95 VAL CA C 13 60.05 0.05 . 1 . . . . 84 VAL CA . 16147 1 1032 . 1 1 95 95 VAL CB C 13 34.07 0.05 . 1 . . . . 84 VAL CB . 16147 1 1033 . 1 1 95 95 VAL CG1 C 13 22.31 0.05 . 1 . . . . 84 VAL CG1 . 16147 1 1034 . 1 1 95 95 VAL CG2 C 13 19.03 0.05 . 1 . . . . 84 VAL CG2 . 16147 1 1035 . 1 1 95 95 VAL N N 15 118.2 0.1 . 1 . . . . 84 VAL N . 16147 1 1036 . 1 1 96 96 ASP H H 1 7.51 0.02 . 1 . . . . 85 ASP H . 16147 1 1037 . 1 1 96 96 ASP HA H 1 4.76 0.02 . 1 . . . . 85 ASP HA . 16147 1 1038 . 1 1 96 96 ASP HB2 H 1 2.42 0.02 . 1 . . . . 85 ASP HB2 . 16147 1 1039 . 1 1 96 96 ASP HB3 H 1 2.53 0.02 . 1 . . . . 85 ASP HB3 . 16147 1 1040 . 1 1 96 96 ASP C C 13 175 0.05 . 1 . . . . 85 ASP C . 16147 1 1041 . 1 1 96 96 ASP CA C 13 54.3 0.05 . 1 . . . . 85 ASP CA . 16147 1 1042 . 1 1 96 96 ASP CB C 13 46.63 0.05 . 1 . . . . 85 ASP CB . 16147 1 1043 . 1 1 96 96 ASP N N 15 122.1 0.1 . 1 . . . . 85 ASP N . 16147 1 1044 . 1 1 97 97 THR H H 1 8.59 0.02 . 1 . . . . 86 THR H . 16147 1 1045 . 1 1 97 97 THR HA H 1 5.25 0.02 . 1 . . . . 86 THR HA . 16147 1 1046 . 1 1 97 97 THR HB H 1 3.89 0.02 . 1 . . . . 86 THR HB . 16147 1 1047 . 1 1 97 97 THR HG21 H 1 1.15 0.02 . 1 . . . . 86 THR HG2 . 16147 1 1048 . 1 1 97 97 THR HG22 H 1 1.15 0.02 . 1 . . . . 86 THR HG2 . 16147 1 1049 . 1 1 97 97 THR HG23 H 1 1.15 0.02 . 1 . . . . 86 THR HG2 . 16147 1 1050 . 1 1 97 97 THR C C 13 172.46 0.05 . 1 . . . . 86 THR C . 16147 1 1051 . 1 1 97 97 THR CA C 13 61.69 0.05 . 1 . . . . 86 THR CA . 16147 1 1052 . 1 1 97 97 THR CB C 13 72.35 0.05 . 1 . . . . 86 THR CB . 16147 1 1053 . 1 1 97 97 THR CG2 C 13 21.49 0.05 . 1 . . . . 86 THR CG2 . 16147 1 1054 . 1 1 97 97 THR N N 15 116.3 0.1 . 1 . . . . 86 THR N . 16147 1 1055 . 1 1 98 98 LEU H H 1 9.77 0.02 . 1 . . . . 87 LEU H . 16147 1 1056 . 1 1 98 98 LEU HA H 1 4.83 0.02 . 1 . . . . 87 LEU HA . 16147 1 1057 . 1 1 98 98 LEU HB2 H 1 1.53 0.02 . 1 . . . . 87 LEU HB2 . 16147 1 1058 . 1 1 98 98 LEU HB3 H 1 1.93 0.02 . 1 . . . . 87 LEU HB3 . 16147 1 1059 . 1 1 98 98 LEU HD11 H 1 0.78 0.02 . 1 . . . . 87 LEU HD1 . 16147 1 1060 . 1 1 98 98 LEU HD12 H 1 0.78 0.02 . 1 . . . . 87 LEU HD1 . 16147 1 1061 . 1 1 98 98 LEU HD13 H 1 0.78 0.02 . 1 . . . . 87 LEU HD1 . 16147 1 1062 . 1 1 98 98 LEU HD21 H 1 1.02 0.02 . 1 . . . . 87 LEU HD2 . 16147 1 1063 . 1 1 98 98 LEU HD22 H 1 1.02 0.02 . 1 . . . . 87 LEU HD2 . 16147 1 1064 . 1 1 98 98 LEU HD23 H 1 1.02 0.02 . 1 . . . . 87 LEU HD2 . 16147 1 1065 . 1 1 98 98 LEU HG H 1 1.67 0.02 . 1 . . . . 87 LEU HG . 16147 1 1066 . 1 1 98 98 LEU C C 13 173.75 0.05 . 1 . . . . 87 LEU C . 16147 1 1067 . 1 1 98 98 LEU CA C 13 53.76 0.05 . 1 . . . . 87 LEU CA . 16147 1 1068 . 1 1 98 98 LEU CB C 13 46.65 0.05 . 1 . . . . 87 LEU CB . 16147 1 1069 . 1 1 98 98 LEU CD1 C 13 26.14 0.05 . 1 . . . . 87 LEU CD1 . 16147 1 1070 . 1 1 98 98 LEU CD2 C 13 23.13 0.05 . 1 . . . . 87 LEU CD2 . 16147 1 1071 . 1 1 98 98 LEU CG C 13 27.23 0.05 . 1 . . . . 87 LEU CG . 16147 1 1072 . 1 1 98 98 LEU N N 15 129.6 0.1 . 1 . . . . 87 LEU N . 16147 1 1073 . 1 1 99 99 LEU H H 1 8.88 0.02 . 1 . . . . 88 LEU H . 16147 1 1074 . 1 1 99 99 LEU HA H 1 4.89 0.02 . 1 . . . . 88 LEU HA . 16147 1 1075 . 1 1 99 99 LEU HB2 H 1 1.49 0.02 . 1 . . . . 88 LEU HB2 . 16147 1 1076 . 1 1 99 99 LEU HB3 H 1 1.74 0.02 . 2 . . . . 88 LEU HB3 . 16147 1 1077 . 1 1 99 99 LEU HD11 H 1 0.89 0.02 . 1 . . . . 88 LEU HD1 . 16147 1 1078 . 1 1 99 99 LEU HD12 H 1 0.89 0.02 . 1 . . . . 88 LEU HD1 . 16147 1 1079 . 1 1 99 99 LEU HD13 H 1 0.89 0.02 . 1 . . . . 88 LEU HD1 . 16147 1 1080 . 1 1 99 99 LEU HD21 H 1 0.77 0.02 . 1 . . . . 88 LEU HD2 . 16147 1 1081 . 1 1 99 99 LEU HD22 H 1 0.77 0.02 . 1 . . . . 88 LEU HD2 . 16147 1 1082 . 1 1 99 99 LEU HD23 H 1 0.77 0.02 . 1 . . . . 88 LEU HD2 . 16147 1 1083 . 1 1 99 99 LEU HG H 1 1.74 0.02 . 1 . . . . 88 LEU HG . 16147 1 1084 . 1 1 99 99 LEU C C 13 177.57 0.05 . 1 . . . . 88 LEU C . 16147 1 1085 . 1 1 99 99 LEU CA C 13 53.76 0.05 . 1 . . . . 88 LEU CA . 16147 1 1086 . 1 1 99 99 LEU CB C 13 41.73 0.05 . 1 . . . . 88 LEU CB . 16147 1 1087 . 1 1 99 99 LEU CD1 C 13 24.77 0.05 . 1 . . . . 88 LEU CD1 . 16147 1 1088 . 1 1 99 99 LEU CD2 C 13 23.95 0.05 . 1 . . . . 88 LEU CD2 . 16147 1 1089 . 1 1 99 99 LEU CG C 13 27.23 0.05 . 1 . . . . 88 LEU CG . 16147 1 1090 . 1 1 99 99 LEU N N 15 128.1 0.1 . 1 . . . . 88 LEU N . 16147 1 1091 . 1 1 100 100 GLY H H 1 8.03 0.02 . 1 . . . . 89 GLY H . 16147 1 1092 . 1 1 100 100 GLY HA2 H 1 3.7 0.02 . 1 . . . . 89 GLY HA2 . 16147 1 1093 . 1 1 100 100 GLY HA3 H 1 4.35 0.02 . 1 . . . . 89 GLY HA3 . 16147 1 1094 . 1 1 100 100 GLY C C 13 172.12 0.05 . 1 . . . . 89 GLY C . 16147 1 1095 . 1 1 100 100 GLY CA C 13 44.46 0.05 . 1 . . . . 89 GLY CA . 16147 1 1096 . 1 1 100 100 GLY N N 15 110.2 0.1 . 1 . . . . 89 GLY N . 16147 1 1097 . 1 1 101 101 ALA H H 1 8.36 0.02 . 1 . . . . 90 ALA H . 16147 1 1098 . 1 1 101 101 ALA HA H 1 4.5 0.02 . 1 . . . . 90 ALA HA . 16147 1 1099 . 1 1 101 101 ALA HB1 H 1 1.31 0.02 . 1 . . . . 90 ALA HB . 16147 1 1100 . 1 1 101 101 ALA HB2 H 1 1.31 0.02 . 1 . . . . 90 ALA HB . 16147 1 1101 . 1 1 101 101 ALA HB3 H 1 1.31 0.02 . 1 . . . . 90 ALA HB . 16147 1 1102 . 1 1 101 101 ALA C C 13 175.34 0.05 . 1 . . . . 90 ALA C . 16147 1 1103 . 1 1 101 101 ALA CA C 13 50.2 0.05 . 1 . . . . 90 ALA CA . 16147 1 1104 . 1 1 101 101 ALA CB C 13 19.03 0.05 . 1 . . . . 90 ALA CB . 16147 1 1105 . 1 1 101 101 ALA N N 15 120 0.1 . 1 . . . . 90 ALA N . 16147 1 1106 . 1 1 102 102 ASN H H 1 7.68 0.02 . 1 . . . . 91 ASN H . 16147 1 1107 . 1 1 102 102 ASN HA H 1 4.79 0.02 . 1 . . . . 91 ASN HA . 16147 1 1108 . 1 1 102 102 ASN HB2 H 1 2.74 0.02 . 1 . . . . 91 ASN HB2 . 16147 1 1109 . 1 1 102 102 ASN HB3 H 1 2.83 0.02 . 1 . . . . 91 ASN HB3 . 16147 1 1110 . 1 1 102 102 ASN HD21 H 1 7.73 0.02 . 1 . . . . 91 ASN HD21 . 16147 1 1111 . 1 1 102 102 ASN HD22 H 1 7.08 0.02 . 1 . . . . 91 ASN HD22 . 16147 1 1112 . 1 1 102 102 ASN C C 13 174.58 0.05 . 1 . . . . 91 ASN C . 16147 1 1113 . 1 1 102 102 ASN CA C 13 52.39 0.05 . 1 . . . . 91 ASN CA . 16147 1 1114 . 1 1 102 102 ASN CB C 13 39.27 0.05 . 1 . . . . 91 ASN CB . 16147 1 1115 . 1 1 102 102 ASN N N 15 121.4 0.1 . 1 . . . . 91 ASN N . 16147 1 1116 . 1 1 103 103 ASP H H 1 8.87 0.02 . 1 . . . . 92 ASP H . 16147 1 1117 . 1 1 103 103 ASP HA H 1 3.79 0.02 . 1 . . . . 92 ASP HA . 16147 1 1118 . 1 1 103 103 ASP HB2 H 1 1.72 0.02 . 1 . . . . 92 ASP HB2 . 16147 1 1119 . 1 1 103 103 ASP HB3 H 1 1.87 0.02 . 1 . . . . 92 ASP HB3 . 16147 1 1120 . 1 1 103 103 ASP C C 13 177.19 0.05 . 1 . . . . 92 ASP C . 16147 1 1121 . 1 1 103 103 ASP CA C 13 57.59 0.05 . 1 . . . . 92 ASP CA . 16147 1 1122 . 1 1 103 103 ASP CB C 13 38.17 0.05 . 1 . . . . 92 ASP CB . 16147 1 1123 . 1 1 103 103 ASP N N 15 126.1 0.1 . 1 . . . . 92 ASP N . 16147 1 1124 . 1 1 104 104 SER H H 1 8.15 0.02 . 1 . . . . 93 SER H . 16147 1 1125 . 1 1 104 104 SER HA H 1 4.12 0.02 . 1 . . . . 93 SER HA . 16147 1 1126 . 1 1 104 104 SER HB2 H 1 3.87 0.02 . 1 . . . . 93 SER HB2 . 16147 1 1127 . 1 1 104 104 SER HB3 H 1 3.9 0.02 . 1 . . . . 93 SER HB3 . 16147 1 1128 . 1 1 104 104 SER C C 13 177.1 0.05 . 1 . . . . 93 SER C . 16147 1 1129 . 1 1 104 104 SER CA C 13 61.41 0.05 . 1 . . . . 93 SER CA . 16147 1 1130 . 1 1 104 104 SER CB C 13 62.51 0.05 . 1 . . . . 93 SER CB . 16147 1 1131 . 1 1 104 104 SER N N 15 115 0.1 . 1 . . . . 93 SER N . 16147 1 1132 . 1 1 105 105 ALA H H 1 7.93 0.02 . 1 . . . . 94 ALA H . 16147 1 1133 . 1 1 105 105 ALA HA H 1 4.11 0.02 . 1 . . . . 94 ALA HA . 16147 1 1134 . 1 1 105 105 ALA HB1 H 1 1.45 0.02 . 1 . . . . 94 ALA HB . 16147 1 1135 . 1 1 105 105 ALA HB2 H 1 1.45 0.02 . 1 . . . . 94 ALA HB . 16147 1 1136 . 1 1 105 105 ALA HB3 H 1 1.45 0.02 . 1 . . . . 94 ALA HB . 16147 1 1137 . 1 1 105 105 ALA C C 13 180.3 0.05 . 1 . . . . 94 ALA C . 16147 1 1138 . 1 1 105 105 ALA CA C 13 54.03 0.05 . 1 . . . . 94 ALA CA . 16147 1 1139 . 1 1 105 105 ALA CB C 13 18.21 0.05 . 1 . . . . 94 ALA CB . 16147 1 1140 . 1 1 105 105 ALA N N 15 124.9 0.1 . 1 . . . . 94 ALA N . 16147 1 1141 . 1 1 106 106 LEU H H 1 8.26 0.02 . 1 . . . . 95 LEU H . 16147 1 1142 . 1 1 106 106 LEU HA H 1 3.83 0.02 . 1 . . . . 95 LEU HA . 16147 1 1143 . 1 1 106 106 LEU HB2 H 1 1.08 0.02 . 1 . . . . 95 LEU HB2 . 16147 1 1144 . 1 1 106 106 LEU HB3 H 1 2.05 0.02 . 1 . . . . 95 LEU HB3 . 16147 1 1145 . 1 1 106 106 LEU HD11 H 1 0.74 0.02 . 1 . . . . 95 LEU HD1 . 16147 1 1146 . 1 1 106 106 LEU HD12 H 1 0.74 0.02 . 1 . . . . 95 LEU HD1 . 16147 1 1147 . 1 1 106 106 LEU HD13 H 1 0.74 0.02 . 1 . . . . 95 LEU HD1 . 16147 1 1148 . 1 1 106 106 LEU HD21 H 1 0.18 0.02 . 1 . . . . 95 LEU HD2 . 16147 1 1149 . 1 1 106 106 LEU HD22 H 1 0.18 0.02 . 1 . . . . 95 LEU HD2 . 16147 1 1150 . 1 1 106 106 LEU HD23 H 1 0.18 0.02 . 1 . . . . 95 LEU HD2 . 16147 1 1151 . 1 1 106 106 LEU HG H 1 1.51 0.02 . 1 . . . . 95 LEU HG . 16147 1 1152 . 1 1 106 106 LEU C C 13 177.29 0.05 . 1 . . . . 95 LEU C . 16147 1 1153 . 1 1 106 106 LEU CA C 13 57.31 0.05 . 1 . . . . 95 LEU CA . 16147 1 1154 . 1 1 106 106 LEU CB C 13 40.63 0.05 . 1 . . . . 95 LEU CB . 16147 1 1155 . 1 1 106 106 LEU CD1 C 13 26.14 0.05 . 1 . . . . 95 LEU CD1 . 16147 1 1156 . 1 1 106 106 LEU CD2 C 13 21.49 0.05 . 1 . . . . 95 LEU CD2 . 16147 1 1157 . 1 1 106 106 LEU CG C 13 26.41 0.05 . 1 . . . . 95 LEU CG . 16147 1 1158 . 1 1 106 106 LEU N N 15 121.9 0.1 . 1 . . . . 95 LEU N . 16147 1 1159 . 1 1 107 107 LYS H H 1 8.38 0.02 . 1 . . . . 96 LYS H . 16147 1 1160 . 1 1 107 107 LYS HA H 1 3.83 0.02 . 1 . . . . 96 LYS HA . 16147 1 1161 . 1 1 107 107 LYS HB2 H 1 2.05 0.02 . 1 . . . . 96 LYS HB2 . 16147 1 1162 . 1 1 107 107 LYS HB3 H 1 2.12 0.02 . 1 . . . . 96 LYS HB3 . 16147 1 1163 . 1 1 107 107 LYS HD2 H 1 1.8 0.02 . 1 . . . . 96 LYS HD2 . 16147 1 1164 . 1 1 107 107 LYS HD3 H 1 1.87 0.02 . 1 . . . . 96 LYS HD3 . 16147 1 1165 . 1 1 107 107 LYS HE2 H 1 3.11 0.02 . 2 . . . . 96 LYS HE2 . 16147 1 1166 . 1 1 107 107 LYS HE3 H 1 3.11 0.02 . 2 . . . . 96 LYS HE3 . 16147 1 1167 . 1 1 107 107 LYS HG2 H 1 1.45 0.02 . 1 . . . . 96 LYS HG2 . 16147 1 1168 . 1 1 107 107 LYS HG3 H 1 1.57 0.02 . 1 . . . . 96 LYS HG3 . 16147 1 1169 . 1 1 107 107 LYS C C 13 177.57 0.05 . 1 . . . . 96 LYS C . 16147 1 1170 . 1 1 107 107 LYS CA C 13 60.32 0.05 . 1 . . . . 96 LYS CA . 16147 1 1171 . 1 1 107 107 LYS CB C 13 32.16 0.05 . 1 . . . . 96 LYS CB . 16147 1 1172 . 1 1 107 107 LYS CD C 13 29.42 0.05 . 1 . . . . 96 LYS CD . 16147 1 1173 . 1 1 107 107 LYS CE C 13 41.73 0.05 . 1 . . . . 96 LYS CE . 16147 1 1174 . 1 1 107 107 LYS CG C 13 24.77 0.05 . 1 . . . . 96 LYS CG . 16147 1 1175 . 1 1 107 107 LYS N N 15 119.7 0.1 . 1 . . . . 96 LYS N . 16147 1 1176 . 1 1 108 108 GLN H H 1 7.81 0.02 . 1 . . . . 97 GLN H . 16147 1 1177 . 1 1 108 108 GLN HA H 1 3.98 0.02 . 1 . . . . 97 GLN HA . 16147 1 1178 . 1 1 108 108 GLN HB2 H 1 2.09 0.02 . 2 . . . . 97 GLN HB2 . 16147 1 1179 . 1 1 108 108 GLN HB3 H 1 2.09 0.02 . 2 . . . . 97 GLN HB3 . 16147 1 1180 . 1 1 108 108 GLN HE21 H 1 7.42 0.02 . 1 . . . . 97 GLN HE21 . 16147 1 1181 . 1 1 108 108 GLN HE22 H 1 6.84 0.02 . 1 . . . . 97 GLN HE22 . 16147 1 1182 . 1 1 108 108 GLN HG2 H 1 2.34 0.02 . 1 . . . . 97 GLN HG2 . 16147 1 1183 . 1 1 108 108 GLN HG3 H 1 2.52 0.02 . 1 . . . . 97 GLN HG3 . 16147 1 1184 . 1 1 108 108 GLN C C 13 178.31 0.05 . 1 . . . . 97 GLN C . 16147 1 1185 . 1 1 108 108 GLN CA C 13 58.68 0.05 . 1 . . . . 97 GLN CA . 16147 1 1186 . 1 1 108 108 GLN CB C 13 28.33 0.05 . 1 . . . . 97 GLN CB . 16147 1 1187 . 1 1 108 108 GLN CG C 13 34.07 0.05 . 1 . . . . 97 GLN CG . 16147 1 1188 . 1 1 108 108 GLN N N 15 115.8 0.1 . 1 . . . . 97 GLN N . 16147 1 1189 . 1 1 109 109 LEU H H 1 7.83 0.02 . 1 . . . . 98 LEU H . 16147 1 1190 . 1 1 109 109 LEU HA H 1 4.13 0.02 . 1 . . . . 98 LEU HA . 16147 1 1191 . 1 1 109 109 LEU HB2 H 1 1.6 0.02 . 1 . . . . 98 LEU HB2 . 16147 1 1192 . 1 1 109 109 LEU HB3 H 1 2.13 0.02 . 1 . . . . 98 LEU HB3 . 16147 1 1193 . 1 1 109 109 LEU HD11 H 1 0.78 0.02 . 1 . . . . 98 LEU HD1 . 16147 1 1194 . 1 1 109 109 LEU HD12 H 1 0.78 0.02 . 1 . . . . 98 LEU HD1 . 16147 1 1195 . 1 1 109 109 LEU HD13 H 1 0.78 0.02 . 1 . . . . 98 LEU HD1 . 16147 1 1196 . 1 1 109 109 LEU HD21 H 1 1.01 0.02 . 1 . . . . 98 LEU HD2 . 16147 1 1197 . 1 1 109 109 LEU HD22 H 1 1.01 0.02 . 1 . . . . 98 LEU HD2 . 16147 1 1198 . 1 1 109 109 LEU HD23 H 1 1.01 0.02 . 1 . . . . 98 LEU HD2 . 16147 1 1199 . 1 1 109 109 LEU HG H 1 1.42 0.02 . 1 . . . . 98 LEU HG . 16147 1 1200 . 1 1 109 109 LEU C C 13 177.23 0.05 . 1 . . . . 98 LEU C . 16147 1 1201 . 1 1 109 109 LEU CA C 13 57.86 0.05 . 1 . . . . 98 LEU CA . 16147 1 1202 . 1 1 109 109 LEU CB C 13 41.45 0.05 . 1 . . . . 98 LEU CB . 16147 1 1203 . 1 1 109 109 LEU CD1 C 13 26.41 0.05 . 1 . . . . 98 LEU CD1 . 16147 1 1204 . 1 1 109 109 LEU CD2 C 13 23.68 0.05 . 1 . . . . 98 LEU CD2 . 16147 1 1205 . 1 1 109 109 LEU CG C 13 26.69 0.05 . 1 . . . . 98 LEU CG . 16147 1 1206 . 1 1 109 109 LEU N N 15 122.2 0.1 . 1 . . . . 98 LEU N . 16147 1 1207 . 1 1 110 110 ILE H H 1 8 0.02 . 1 . . . . 99 ILE H . 16147 1 1208 . 1 1 110 110 ILE HA H 1 3.2 0.02 . 1 . . . . 99 ILE HA . 16147 1 1209 . 1 1 110 110 ILE HB H 1 1.46 0.02 . 1 . . . . 99 ILE HB . 16147 1 1210 . 1 1 110 110 ILE HD11 H 1 0.15 0.02 . 1 . . . . 99 ILE HD1 . 16147 1 1211 . 1 1 110 110 ILE HD12 H 1 0.15 0.02 . 1 . . . . 99 ILE HD1 . 16147 1 1212 . 1 1 110 110 ILE HD13 H 1 0.15 0.02 . 1 . . . . 99 ILE HD1 . 16147 1 1213 . 1 1 110 110 ILE HG12 H 1 0.62 0.02 . 1 . . . . 99 ILE HG12 . 16147 1 1214 . 1 1 110 110 ILE HG13 H 1 1.58 0.02 . 1 . . . . 99 ILE HG13 . 16147 1 1215 . 1 1 110 110 ILE HG21 H 1 0.83 0.02 . 1 . . . . 99 ILE HG2 . 16147 1 1216 . 1 1 110 110 ILE HG22 H 1 0.83 0.02 . 1 . . . . 99 ILE HG2 . 16147 1 1217 . 1 1 110 110 ILE HG23 H 1 0.83 0.02 . 1 . . . . 99 ILE HG2 . 16147 1 1218 . 1 1 110 110 ILE C C 13 179.05 0.05 . 1 . . . . 99 ILE C . 16147 1 1219 . 1 1 110 110 ILE CA C 13 65.52 0.05 . 1 . . . . 99 ILE CA . 16147 1 1220 . 1 1 110 110 ILE CB C 13 38.45 0.05 . 1 . . . . 99 ILE CB . 16147 1 1221 . 1 1 110 110 ILE CD1 C 13 16.84 0.05 . 1 . . . . 99 ILE CD1 . 16147 1 1222 . 1 1 110 110 ILE CG1 C 13 29.7 0.05 . 1 . . . . 99 ILE CG1 . 16147 1 1223 . 1 1 110 110 ILE CG2 C 13 14.93 0.05 . 1 . . . . 99 ILE CG2 . 16147 1 1224 . 1 1 110 110 ILE N N 15 116.9 0.1 . 1 . . . . 99 ILE N . 16147 1 1225 . 1 1 111 111 GLU H H 1 8.48 0.02 . 1 . . . . 100 GLU H . 16147 1 1226 . 1 1 111 111 GLU HA H 1 3.58 0.02 . 1 . . . . 100 GLU HA . 16147 1 1227 . 1 1 111 111 GLU HB2 H 1 2 0.02 . 2 . . . . 100 GLU HB2 . 16147 1 1228 . 1 1 111 111 GLU HB3 H 1 2 0.02 . 2 . . . . 100 GLU HB3 . 16147 1 1229 . 1 1 111 111 GLU HG2 H 1 2.13 0.02 . 1 . . . . 100 GLU HG2 . 16147 1 1230 . 1 1 111 111 GLU HG3 H 1 2.58 0.02 . 1 . . . . 100 GLU HG3 . 16147 1 1231 . 1 1 111 111 GLU C C 13 177.62 0.05 . 1 . . . . 100 GLU C . 16147 1 1232 . 1 1 111 111 GLU CA C 13 59.5 0.05 . 1 . . . . 100 GLU CA . 16147 1 1233 . 1 1 111 111 GLU CB C 13 28.6 0.05 . 1 . . . . 100 GLU CB . 16147 1 1234 . 1 1 111 111 GLU CG C 13 37.9 0.05 . 1 . . . . 100 GLU CG . 16147 1 1235 . 1 1 111 111 GLU N N 15 117.4 0.1 . 1 . . . . 100 GLU N . 16147 1 1236 . 1 1 112 112 LYS H H 1 7.61 0.02 . 1 . . . . 101 LYS H . 16147 1 1237 . 1 1 112 112 LYS HA H 1 3.78 0.02 . 1 . . . . 101 LYS HA . 16147 1 1238 . 1 1 112 112 LYS HB2 H 1 1.73 0.02 . 1 . . . . 101 LYS HB2 . 16147 1 1239 . 1 1 112 112 LYS HB3 H 1 1.81 0.02 . 1 . . . . 101 LYS HB3 . 16147 1 1240 . 1 1 112 112 LYS HD2 H 1 1.5 0.02 . 1 . . . . 101 LYS HD2 . 16147 1 1241 . 1 1 112 112 LYS HD3 H 1 1.55 0.02 . 1 . . . . 101 LYS HD3 . 16147 1 1242 . 1 1 112 112 LYS HE2 H 1 2.76 0.02 . 2 . . . . 101 LYS HE2 . 16147 1 1243 . 1 1 112 112 LYS HE3 H 1 2.76 0.02 . 2 . . . . 101 LYS HE3 . 16147 1 1244 . 1 1 112 112 LYS HG2 H 1 0.35 0.02 . 1 . . . . 101 LYS HG2 . 16147 1 1245 . 1 1 112 112 LYS HG3 H 1 1.17 0.02 . 1 . . . . 101 LYS HG3 . 16147 1 1246 . 1 1 112 112 LYS C C 13 177.14 0.05 . 1 . . . . 101 LYS C . 16147 1 1247 . 1 1 112 112 LYS CA C 13 58.68 0.05 . 1 . . . . 101 LYS CA . 16147 1 1248 . 1 1 112 112 LYS CB C 13 31.88 0.05 . 1 . . . . 101 LYS CB . 16147 1 1249 . 1 1 112 112 LYS CD C 13 29.7 0.05 . 1 . . . . 101 LYS CD . 16147 1 1250 . 1 1 112 112 LYS CE C 13 41.73 0.05 . 1 . . . . 101 LYS CE . 16147 1 1251 . 1 1 112 112 LYS CG C 13 24.23 0.05 . 1 . . . . 101 LYS CG . 16147 1 1252 . 1 1 112 112 LYS N N 15 119.6 0.1 . 1 . . . . 101 LYS N . 16147 1 1253 . 1 1 113 113 TYR H H 1 7 0.02 . 1 . . . . 102 TYR H . 16147 1 1254 . 1 1 113 113 TYR HA H 1 4.48 0.02 . 1 . . . . 102 TYR HA . 16147 1 1255 . 1 1 113 113 TYR HB2 H 1 2.37 0.02 . 1 . . . . 102 TYR HB2 . 16147 1 1256 . 1 1 113 113 TYR HB3 H 1 3.2 0.02 . 1 . . . . 102 TYR HB3 . 16147 1 1257 . 1 1 113 113 TYR HD1 H 1 7.31 0.02 . 3 . . . . 102 TYR HD1 . 16147 1 1258 . 1 1 113 113 TYR HD2 H 1 7.31 0.02 . 3 . . . . 102 TYR HD2 . 16147 1 1259 . 1 1 113 113 TYR HE1 H 1 6.77 0.02 . 3 . . . . 102 TYR HE1 . 16147 1 1260 . 1 1 113 113 TYR HE2 H 1 6.77 0.02 . 3 . . . . 102 TYR HE2 . 16147 1 1261 . 1 1 113 113 TYR C C 13 176.28 0.05 . 1 . . . . 102 TYR C . 16147 1 1262 . 1 1 113 113 TYR CA C 13 59.23 0.05 . 1 . . . . 102 TYR CA . 16147 1 1263 . 1 1 113 113 TYR CB C 13 41.18 0.05 . 1 . . . . 102 TYR CB . 16147 1 1264 . 1 1 113 113 TYR N N 15 112.7 0.1 . 1 . . . . 102 TYR N . 16147 1 1265 . 1 1 114 114 ALA H H 1 8.67 0.02 . 1 . . . . 103 ALA H . 16147 1 1266 . 1 1 114 114 ALA HA H 1 4.52 0.02 . 1 . . . . 103 ALA HA . 16147 1 1267 . 1 1 114 114 ALA HB1 H 1 1.41 0.02 . 1 . . . . 103 ALA HB . 16147 1 1268 . 1 1 114 114 ALA HB2 H 1 1.41 0.02 . 1 . . . . 103 ALA HB . 16147 1 1269 . 1 1 114 114 ALA HB3 H 1 1.41 0.02 . 1 . . . . 103 ALA HB . 16147 1 1270 . 1 1 114 114 ALA C C 13 175.3 0.05 . 1 . . . . 103 ALA C . 16147 1 1271 . 1 1 114 114 ALA CA C 13 51.52 0.05 . 1 . . . . 103 ALA CA . 16147 1 1272 . 1 1 114 114 ALA CB C 13 20.35 0.05 . 1 . . . . 103 ALA CB . 16147 1 1273 . 1 1 114 114 ALA N N 15 120.8 0.1 . 1 . . . . 103 ALA N . 16147 1 1274 . 1 1 115 115 ALA H H 1 7.56 0.02 . 1 . . . . 104 ALA H . 16147 1 1275 . 1 1 115 115 ALA HA H 1 4.29 0.02 . 1 . . . . 104 ALA HA . 16147 1 1276 . 1 1 115 115 ALA HB1 H 1 1.47 0.02 . 1 . . . . 104 ALA HB . 16147 1 1277 . 1 1 115 115 ALA HB2 H 1 1.47 0.02 . 1 . . . . 104 ALA HB . 16147 1 1278 . 1 1 115 115 ALA HB3 H 1 1.47 0.02 . 1 . . . . 104 ALA HB . 16147 1 1279 . 1 1 115 115 ALA CA C 13 54.03 0.05 . 1 . . . . 104 ALA CA . 16147 1 1280 . 1 1 115 115 ALA CB C 13 19.58 0.05 . 1 . . . . 104 ALA CB . 16147 1 1281 . 1 1 115 115 ALA N N 15 126.7 0.1 . 1 . . . . 104 ALA N . 16147 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 43 16147 1 1 44 16147 1 1 45 16147 1 1 48 16147 1 1 49 16147 1 1 50 16147 1 stop_ save_