data_17637 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17637 _Entry.Title ; 1H, 13C, and 15N NMR resonance assignments of reduced full length and shortened forms of the Grx domain of Mus musculus TGR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-12 _Entry.Accession_date 2011-05-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Elena Shumilina . . . 17637 2 Alice Solda . . . 17637 3 Maxim Gerashchenko . . . 17637 4 Vadim Gladyshev . N. . 17637 5 Alexander Dikiy . . . 17637 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17637 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 312 17637 '15N chemical shifts' 112 17637 '1H chemical shifts' 697 17637 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-04-06 2011-05-12 update BMRB 'update entry citation' 17637 1 . . 2011-09-13 2011-05-12 original author 'original release' 17637 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17636 'Grx domain' 17637 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17637 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21901408 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N NMR resonance assignments of reduced full length and shortened forms of the Grx domain of Mus musculus TGR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _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 103 _Citation.Page_last 107 _Citation.Year 2012 _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 Elena Shumilina . . . 17637 1 2 Alice Solda . . . 17637 1 3 Maxim Gerashchenko . . . 17637 1 4 Vadim Gladyshev . N. . 17637 1 5 Alexander Dikiy . . . 17637 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17637 _Assembly.ID 1 _Assembly.Name 'short Grx domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic 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 'short Grx domain' 1 $shortened_Grx_domain_of_Mus_musculus_TGR A . yes native no no . . . 17637 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_shortened_Grx_domain_of_Mus_musculus_TGR _Entity.Sf_category entity _Entity.Sf_framecode shortened_Grx_domain_of_Mus_musculus_TGR _Entity.Entry_ID 17637 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name shortened_Grx_domain_of_Mus_musculus_TGR _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 ; AREELRRRLRDLIEGNRVMI FSKSYCPHSTRVKELFSSLG VVYNILELDQVDDGASVQEV LTEISNQKTVPNIFVNKVHV GGCDRTFQAHQNGLLQKLLQ DD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence starts from A23, R24, E25' _Entity.Polymer_author_seq_details 'Shortened Grx domain of Mus musculus TGR, lacking first 22 N-terminal amino acids' _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 BMRB 17636 . Grx_domain_of_Mus_musculus_TGR . . . . . 100.00 124 100.00 100.00 1.51e-67 . . . . 17637 1 2 no PDB 2LV3 . "Structure-functional Characterization Of Grx Domain Of Mus Musculus Tgr" . . . . . 100.00 102 100.00 100.00 2.60e-67 . . . . 17637 1 3 no DBJ BAB28419 . "unnamed protein product [Mus musculus]" . . . . . 100.00 613 100.00 100.00 2.24e-62 . . . . 17637 1 4 no DBJ BAC37890 . "unnamed protein product [Mus musculus]" . . . . . 100.00 613 100.00 100.00 2.24e-62 . . . . 17637 1 5 no DBJ BAE22370 . "unnamed protein product [Mus musculus]" . . . . . 100.00 581 100.00 100.00 9.07e-63 . . . . 17637 1 6 no GB AAH76605 . "Thioredoxin reductase 3 [Mus musculus]" . . . . . 100.00 613 100.00 100.00 2.24e-62 . . . . 17637 1 7 no GB AAK31172 . "thioredoxin and glutathione reductase [Mus musculus]" . . . . . 100.00 615 100.00 100.00 2.41e-62 . . . . 17637 1 8 no GB EDK99269 . "thioredoxin reductase 3 [Mus musculus]" . . . . . 100.00 613 100.00 100.00 2.24e-62 . . . . 17637 1 9 no REF NP_001171529 . "thioredoxin reductase 3 isoform 1 [Mus musculus]" . . . . . 100.00 652 100.00 100.00 3.63e-62 . . . . 17637 1 10 no REF NP_001171530 . "thioredoxin reductase 3 isoform 3 [Mus musculus]" . . . . . 100.00 538 100.00 100.00 6.35e-65 . . . . 17637 1 11 no REF NP_001171531 . "thioredoxin reductase 3 isoform 4 [Mus musculus]" . . . . . 100.00 501 100.00 100.00 2.90e-63 . . . . 17637 1 12 no REF NP_694802 . "thioredoxin reductase 3 isoform 2 [Mus musculus]" . . . . . 100.00 615 100.00 100.00 2.41e-62 . . . . 17637 1 13 no SP Q99MD6 . "RecName: Full=Thioredoxin reductase 3; AltName: Full=Thioredoxin and glutathione reductase; AltName: Full=Thioredoxin reductase" . . . . . 100.00 652 100.00 100.00 3.63e-62 . . . . 17637 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 23 ALA . 17637 1 2 24 ARG . 17637 1 3 25 GLU . 17637 1 4 26 GLU . 17637 1 5 27 LEU . 17637 1 6 28 ARG . 17637 1 7 29 ARG . 17637 1 8 30 ARG . 17637 1 9 31 LEU . 17637 1 10 32 ARG . 17637 1 11 33 ASP . 17637 1 12 34 LEU . 17637 1 13 35 ILE . 17637 1 14 36 GLU . 17637 1 15 37 GLY . 17637 1 16 38 ASN . 17637 1 17 39 ARG . 17637 1 18 40 VAL . 17637 1 19 41 MET . 17637 1 20 42 ILE . 17637 1 21 43 PHE . 17637 1 22 44 SER . 17637 1 23 45 LYS . 17637 1 24 46 SER . 17637 1 25 47 TYR . 17637 1 26 48 CYS . 17637 1 27 49 PRO . 17637 1 28 50 HIS . 17637 1 29 51 SER . 17637 1 30 52 THR . 17637 1 31 53 ARG . 17637 1 32 54 VAL . 17637 1 33 55 LYS . 17637 1 34 56 GLU . 17637 1 35 57 LEU . 17637 1 36 58 PHE . 17637 1 37 59 SER . 17637 1 38 60 SER . 17637 1 39 61 LEU . 17637 1 40 62 GLY . 17637 1 41 63 VAL . 17637 1 42 64 VAL . 17637 1 43 65 TYR . 17637 1 44 66 ASN . 17637 1 45 67 ILE . 17637 1 46 68 LEU . 17637 1 47 69 GLU . 17637 1 48 70 LEU . 17637 1 49 71 ASP . 17637 1 50 72 GLN . 17637 1 51 73 VAL . 17637 1 52 74 ASP . 17637 1 53 75 ASP . 17637 1 54 76 GLY . 17637 1 55 77 ALA . 17637 1 56 78 SER . 17637 1 57 79 VAL . 17637 1 58 80 GLN . 17637 1 59 81 GLU . 17637 1 60 82 VAL . 17637 1 61 83 LEU . 17637 1 62 84 THR . 17637 1 63 85 GLU . 17637 1 64 86 ILE . 17637 1 65 87 SER . 17637 1 66 88 ASN . 17637 1 67 89 GLN . 17637 1 68 90 LYS . 17637 1 69 91 THR . 17637 1 70 92 VAL . 17637 1 71 93 PRO . 17637 1 72 94 ASN . 17637 1 73 95 ILE . 17637 1 74 96 PHE . 17637 1 75 97 VAL . 17637 1 76 98 ASN . 17637 1 77 99 LYS . 17637 1 78 100 VAL . 17637 1 79 101 HIS . 17637 1 80 102 VAL . 17637 1 81 103 GLY . 17637 1 82 104 GLY . 17637 1 83 105 CYS . 17637 1 84 106 ASP . 17637 1 85 107 ARG . 17637 1 86 108 THR . 17637 1 87 109 PHE . 17637 1 88 110 GLN . 17637 1 89 111 ALA . 17637 1 90 112 HIS . 17637 1 91 113 GLN . 17637 1 92 114 ASN . 17637 1 93 115 GLY . 17637 1 94 116 LEU . 17637 1 95 117 LEU . 17637 1 96 118 GLN . 17637 1 97 119 LYS . 17637 1 98 120 LEU . 17637 1 99 121 LEU . 17637 1 100 122 GLN . 17637 1 101 123 ASP . 17637 1 102 124 ASP . 17637 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 17637 1 . ARG 2 2 17637 1 . GLU 3 3 17637 1 . GLU 4 4 17637 1 . LEU 5 5 17637 1 . ARG 6 6 17637 1 . ARG 7 7 17637 1 . ARG 8 8 17637 1 . LEU 9 9 17637 1 . ARG 10 10 17637 1 . ASP 11 11 17637 1 . LEU 12 12 17637 1 . ILE 13 13 17637 1 . GLU 14 14 17637 1 . GLY 15 15 17637 1 . ASN 16 16 17637 1 . ARG 17 17 17637 1 . VAL 18 18 17637 1 . MET 19 19 17637 1 . ILE 20 20 17637 1 . PHE 21 21 17637 1 . SER 22 22 17637 1 . LYS 23 23 17637 1 . SER 24 24 17637 1 . TYR 25 25 17637 1 . CYS 26 26 17637 1 . PRO 27 27 17637 1 . HIS 28 28 17637 1 . SER 29 29 17637 1 . THR 30 30 17637 1 . ARG 31 31 17637 1 . VAL 32 32 17637 1 . LYS 33 33 17637 1 . GLU 34 34 17637 1 . LEU 35 35 17637 1 . PHE 36 36 17637 1 . SER 37 37 17637 1 . SER 38 38 17637 1 . LEU 39 39 17637 1 . GLY 40 40 17637 1 . VAL 41 41 17637 1 . VAL 42 42 17637 1 . TYR 43 43 17637 1 . ASN 44 44 17637 1 . ILE 45 45 17637 1 . LEU 46 46 17637 1 . GLU 47 47 17637 1 . LEU 48 48 17637 1 . ASP 49 49 17637 1 . GLN 50 50 17637 1 . VAL 51 51 17637 1 . ASP 52 52 17637 1 . ASP 53 53 17637 1 . GLY 54 54 17637 1 . ALA 55 55 17637 1 . SER 56 56 17637 1 . VAL 57 57 17637 1 . GLN 58 58 17637 1 . GLU 59 59 17637 1 . VAL 60 60 17637 1 . LEU 61 61 17637 1 . THR 62 62 17637 1 . GLU 63 63 17637 1 . ILE 64 64 17637 1 . SER 65 65 17637 1 . ASN 66 66 17637 1 . GLN 67 67 17637 1 . LYS 68 68 17637 1 . THR 69 69 17637 1 . VAL 70 70 17637 1 . PRO 71 71 17637 1 . ASN 72 72 17637 1 . ILE 73 73 17637 1 . PHE 74 74 17637 1 . VAL 75 75 17637 1 . ASN 76 76 17637 1 . LYS 77 77 17637 1 . VAL 78 78 17637 1 . HIS 79 79 17637 1 . VAL 80 80 17637 1 . GLY 81 81 17637 1 . GLY 82 82 17637 1 . CYS 83 83 17637 1 . ASP 84 84 17637 1 . ARG 85 85 17637 1 . THR 86 86 17637 1 . PHE 87 87 17637 1 . GLN 88 88 17637 1 . ALA 89 89 17637 1 . HIS 90 90 17637 1 . GLN 91 91 17637 1 . ASN 92 92 17637 1 . GLY 93 93 17637 1 . LEU 94 94 17637 1 . LEU 95 95 17637 1 . GLN 96 96 17637 1 . LYS 97 97 17637 1 . LEU 98 98 17637 1 . LEU 99 99 17637 1 . GLN 100 100 17637 1 . ASP 101 101 17637 1 . ASP 102 102 17637 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 17637 _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 $shortened_Grx_domain_of_Mus_musculus_TGR . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17637 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 17637 _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 $shortened_Grx_domain_of_Mus_musculus_TGR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET24a . . . . . . 17637 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17637 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'shortened Grx domain of Mus musculus TGR' '[U-13C; U-15N]' . . 1 $shortened_Grx_domain_of_Mus_musculus_TGR . . 1 . . mM . . . . 17637 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17637 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17637 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 17637 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17637 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17637 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17637 _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 7.5 . pH 17637 1 pressure 1 . atm 17637 1 temperature 298 . K 17637 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17637 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17637 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17637 1 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 17637 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17637 _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 Avance . 600 . . . 17637 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 17637 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17637 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 17637 _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 . . . . . . . . . 17637 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17637 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17637 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 17637 _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' . . . 17637 1 2 '2D 1H-13C HSQC' . . . 17637 1 3 '2D 1H-13C HSQC aromatic' . . . 17637 1 4 '2D 1H-1H TOCSY' . . . 17637 1 5 '2D 1H-1H NOESY' . . . 17637 1 6 '3D CBCA(CO)NH' . . . 17637 1 7 '3D HNCO' . . . 17637 1 8 '3D HNCA' . . . 17637 1 9 '3D HNCACB' . . . 17637 1 10 '3D HBHA(CO)NH' . . . 17637 1 11 '3D HCCH-TOCSY' . . . 17637 1 12 '3D 1H-15N NOESY' . . . 17637 1 13 '3D 1H-13C NOESY aliphatic' . . . 17637 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.410 0.020 . 1 . . . . 23 ALA H . 17637 1 2 . 1 1 1 1 ALA HA H 1 4.176 0.020 . 1 . . . . 23 ALA HA . 17637 1 3 . 1 1 1 1 ALA HB1 H 1 1.420 0.020 . 1 . . . . 23 ALA HB . 17637 1 4 . 1 1 1 1 ALA HB2 H 1 1.420 0.020 . 1 . . . . 23 ALA HB . 17637 1 5 . 1 1 1 1 ALA HB3 H 1 1.420 0.020 . 1 . . . . 23 ALA HB . 17637 1 6 . 1 1 1 1 ALA CA C 13 54.125 0.3 . 1 . . . . 23 ALA CA . 17637 1 7 . 1 1 1 1 ALA CB C 13 18.445 0.3 . 1 . . . . 23 ALA CB . 17637 1 8 . 1 1 1 1 ALA N N 15 124.560 0.3 . 1 . . . . 23 ALA N . 17637 1 9 . 1 1 2 2 ARG H H 1 8.452 0.020 . 1 . . . . 24 ARG H . 17637 1 10 . 1 1 2 2 ARG HA H 1 3.977 0.020 . 1 . . . . 24 ARG HA . 17637 1 11 . 1 1 2 2 ARG HB2 H 1 1.836 0.020 . 1 . . . . 24 ARG HB2 . 17637 1 12 . 1 1 2 2 ARG HB3 H 1 1.836 0.020 . 1 . . . . 24 ARG HB3 . 17637 1 13 . 1 1 2 2 ARG HG2 H 1 1.572 0.020 . 1 . . . . 24 ARG HG2 . 17637 1 14 . 1 1 2 2 ARG HG3 H 1 1.572 0.020 . 1 . . . . 24 ARG HG3 . 17637 1 15 . 1 1 2 2 ARG HD2 H 1 3.146 0.020 . 1 . . . . 24 ARG HD2 . 17637 1 16 . 1 1 2 2 ARG HD3 H 1 3.146 0.020 . 1 . . . . 24 ARG HD3 . 17637 1 17 . 1 1 2 2 ARG CA C 13 58.969 0.3 . 1 . . . . 24 ARG CA . 17637 1 18 . 1 1 2 2 ARG CB C 13 29.238 0.3 . 1 . . . . 24 ARG CB . 17637 1 19 . 1 1 2 2 ARG CG C 13 27.891 0.3 . 1 . . . . 24 ARG CG . 17637 1 20 . 1 1 2 2 ARG CD C 13 43.241 0.3 . 1 . . . . 24 ARG CD . 17637 1 21 . 1 1 2 2 ARG N N 15 121.184 0.3 . 1 . . . . 24 ARG N . 17637 1 22 . 1 1 3 3 GLU H H 1 8.315 0.020 . 1 . . . . 25 GLU H . 17637 1 23 . 1 1 3 3 GLU HA H 1 3.998 0.020 . 1 . . . . 25 GLU HA . 17637 1 24 . 1 1 3 3 GLU HB2 H 1 2.031 0.020 . 1 . . . . 25 GLU HB2 . 17637 1 25 . 1 1 3 3 GLU HB3 H 1 2.031 0.020 . 1 . . . . 25 GLU HB3 . 17637 1 26 . 1 1 3 3 GLU HG2 H 1 2.486 0.020 . 2 . . . . 25 GLU HG2 . 17637 1 27 . 1 1 3 3 GLU HG3 H 1 2.203 0.020 . 2 . . . . 25 GLU HG3 . 17637 1 28 . 1 1 3 3 GLU CA C 13 59.263 0.3 . 1 . . . . 25 GLU CA . 17637 1 29 . 1 1 3 3 GLU CB C 13 28.650 0.3 . 1 . . . . 25 GLU CB . 17637 1 30 . 1 1 3 3 GLU CG C 13 36.808 0.3 . 1 . . . . 25 GLU CG . 17637 1 31 . 1 1 3 3 GLU N N 15 119.562 0.3 . 1 . . . . 25 GLU N . 17637 1 32 . 1 1 4 4 GLU H H 1 7.984 0.020 . 1 . . . . 26 GLU H . 17637 1 33 . 1 1 4 4 GLU HA H 1 4.040 0.020 . 1 . . . . 26 GLU HA . 17637 1 34 . 1 1 4 4 GLU HB2 H 1 2.031 0.020 . 1 . . . . 26 GLU HB2 . 17637 1 35 . 1 1 4 4 GLU HB3 H 1 2.031 0.020 . 1 . . . . 26 GLU HB3 . 17637 1 36 . 1 1 4 4 GLU HG2 H 1 2.235 0.020 . 1 . . . . 26 GLU HG2 . 17637 1 37 . 1 1 4 4 GLU HG3 H 1 2.235 0.020 . 1 . . . . 26 GLU HG3 . 17637 1 38 . 1 1 4 4 GLU CA C 13 59.191 0.3 . 1 . . . . 26 GLU CA . 17637 1 39 . 1 1 4 4 GLU CB C 13 28.748 0.3 . 1 . . . . 26 GLU CB . 17637 1 40 . 1 1 4 4 GLU CG C 13 36.592 0.3 . 1 . . . . 26 GLU CG . 17637 1 41 . 1 1 4 4 GLU N N 15 120.596 0.3 . 1 . . . . 26 GLU N . 17637 1 42 . 1 1 5 5 LEU H H 1 7.808 0.020 . 1 . . . . 27 LEU H . 17637 1 43 . 1 1 5 5 LEU HA H 1 4.049 0.020 . 1 . . . . 27 LEU HA . 17637 1 44 . 1 1 5 5 LEU HB2 H 1 1.827 0.020 . 2 . . . . 27 LEU HB2 . 17637 1 45 . 1 1 5 5 LEU HB3 H 1 1.530 0.020 . 2 . . . . 27 LEU HB3 . 17637 1 46 . 1 1 5 5 LEU HG H 1 1.747 0.020 . 1 . . . . 27 LEU HG . 17637 1 47 . 1 1 5 5 LEU HD11 H 1 0.838 0.020 . 2 . . . . 27 LEU HD1 . 17637 1 48 . 1 1 5 5 LEU HD12 H 1 0.838 0.020 . 2 . . . . 27 LEU HD1 . 17637 1 49 . 1 1 5 5 LEU HD13 H 1 0.838 0.020 . 2 . . . . 27 LEU HD1 . 17637 1 50 . 1 1 5 5 LEU HD21 H 1 0.758 0.020 . 2 . . . . 27 LEU HD2 . 17637 1 51 . 1 1 5 5 LEU HD22 H 1 0.758 0.020 . 2 . . . . 27 LEU HD2 . 17637 1 52 . 1 1 5 5 LEU HD23 H 1 0.758 0.020 . 2 . . . . 27 LEU HD2 . 17637 1 53 . 1 1 5 5 LEU CA C 13 57.764 0.3 . 1 . . . . 27 LEU CA . 17637 1 54 . 1 1 5 5 LEU CB C 13 41.798 0.3 . 1 . . . . 27 LEU CB . 17637 1 55 . 1 1 5 5 LEU CG C 13 27.452 0.3 . 1 . . . . 27 LEU CG . 17637 1 56 . 1 1 5 5 LEU CD1 C 13 24.546 0.3 . 1 . . . . 27 LEU CD1 . 17637 1 57 . 1 1 5 5 LEU CD2 C 13 24.936 0.3 . 1 . . . . 27 LEU CD2 . 17637 1 58 . 1 1 5 5 LEU N N 15 122.058 0.3 . 1 . . . . 27 LEU N . 17637 1 59 . 1 1 6 6 ARG H H 1 8.270 0.020 . 1 . . . . 28 ARG H . 17637 1 60 . 1 1 6 6 ARG HA H 1 3.633 0.020 . 1 . . . . 28 ARG HA . 17637 1 61 . 1 1 6 6 ARG HB2 H 1 1.819 0.020 . 1 . . . . 28 ARG HB2 . 17637 1 62 . 1 1 6 6 ARG HB3 H 1 1.819 0.020 . 1 . . . . 28 ARG HB3 . 17637 1 63 . 1 1 6 6 ARG HG2 H 1 1.549 0.020 . 2 . . . . 28 ARG HG2 . 17637 1 64 . 1 1 6 6 ARG HG3 H 1 1.449 0.020 . 2 . . . . 28 ARG HG3 . 17637 1 65 . 1 1 6 6 ARG HD2 H 1 3.135 0.020 . 2 . . . . 28 ARG HD2 . 17637 1 66 . 1 1 6 6 ARG HD3 H 1 3.081 0.020 . 2 . . . . 28 ARG HD3 . 17637 1 67 . 1 1 6 6 ARG CA C 13 60.342 0.3 . 1 . . . . 28 ARG CA . 17637 1 68 . 1 1 6 6 ARG CB C 13 29.827 0.3 . 1 . . . . 28 ARG CB . 17637 1 69 . 1 1 6 6 ARG CG C 13 28.156 0.3 . 1 . . . . 28 ARG CG . 17637 1 70 . 1 1 6 6 ARG CD C 13 43.487 0.3 . 1 . . . . 28 ARG CD . 17637 1 71 . 1 1 6 6 ARG N N 15 119.720 0.3 . 1 . . . . 28 ARG N . 17637 1 72 . 1 1 7 7 ARG H H 1 7.652 0.020 . 1 . . . . 29 ARG H . 17637 1 73 . 1 1 7 7 ARG HA H 1 3.879 0.020 . 1 . . . . 29 ARG HA . 17637 1 74 . 1 1 7 7 ARG HB2 H 1 1.886 0.020 . 1 . . . . 29 ARG HB2 . 17637 1 75 . 1 1 7 7 ARG HB3 H 1 1.886 0.020 . 1 . . . . 29 ARG HB3 . 17637 1 76 . 1 1 7 7 ARG HG2 H 1 1.584 0.020 . 1 . . . . 29 ARG HG2 . 17637 1 77 . 1 1 7 7 ARG HG3 H 1 1.584 0.020 . 1 . . . . 29 ARG HG3 . 17637 1 78 . 1 1 7 7 ARG HD2 H 1 3.164 0.020 . 1 . . . . 29 ARG HD2 . 17637 1 79 . 1 1 7 7 ARG HD3 H 1 3.164 0.020 . 1 . . . . 29 ARG HD3 . 17637 1 80 . 1 1 7 7 ARG CA C 13 59.120 0.3 . 1 . . . . 29 ARG CA . 17637 1 81 . 1 1 7 7 ARG CB C 13 29.988 0.3 . 1 . . . . 29 ARG CB . 17637 1 82 . 1 1 7 7 ARG CG C 13 27.383 0.3 . 1 . . . . 29 ARG CG . 17637 1 83 . 1 1 7 7 ARG CD C 13 43.616 0.3 . 1 . . . . 29 ARG CD . 17637 1 84 . 1 1 7 7 ARG N N 15 119.134 0.3 . 1 . . . . 29 ARG N . 17637 1 85 . 1 1 8 8 ARG H H 1 8.086 0.020 . 1 . . . . 30 ARG H . 17637 1 86 . 1 1 8 8 ARG HA H 1 4.049 0.020 . 1 . . . . 30 ARG HA . 17637 1 87 . 1 1 8 8 ARG HB2 H 1 1.937 0.020 . 1 . . . . 30 ARG HB2 . 17637 1 88 . 1 1 8 8 ARG HB3 H 1 1.937 0.020 . 1 . . . . 30 ARG HB3 . 17637 1 89 . 1 1 8 8 ARG HG2 H 1 1.650 0.020 . 1 . . . . 30 ARG HG2 . 17637 1 90 . 1 1 8 8 ARG HG3 H 1 1.650 0.020 . 1 . . . . 30 ARG HG3 . 17637 1 91 . 1 1 8 8 ARG HD2 H 1 3.117 0.020 . 1 . . . . 30 ARG HD2 . 17637 1 92 . 1 1 8 8 ARG HD3 H 1 3.117 0.020 . 1 . . . . 30 ARG HD3 . 17637 1 93 . 1 1 8 8 ARG CA C 13 59.263 0.3 . 1 . . . . 30 ARG CA . 17637 1 94 . 1 1 8 8 ARG CB C 13 30.604 0.3 . 1 . . . . 30 ARG CB . 17637 1 95 . 1 1 8 8 ARG CG C 13 28.160 0.3 . 1 . . . . 30 ARG CG . 17637 1 96 . 1 1 8 8 ARG CD C 13 44.002 0.3 . 1 . . . . 30 ARG CD . 17637 1 97 . 1 1 8 8 ARG N N 15 120.177 0.3 . 1 . . . . 30 ARG N . 17637 1 98 . 1 1 9 9 LEU H H 1 8.343 0.020 . 1 . . . . 31 LEU H . 17637 1 99 . 1 1 9 9 LEU HA H 1 4.057 0.020 . 1 . . . . 31 LEU HA . 17637 1 100 . 1 1 9 9 LEU HB2 H 1 1.725 0.020 . 2 . . . . 31 LEU HB2 . 17637 1 101 . 1 1 9 9 LEU HB3 H 1 1.055 0.020 . 2 . . . . 31 LEU HB3 . 17637 1 102 . 1 1 9 9 LEU HG H 1 1.841 0.020 . 1 . . . . 31 LEU HG . 17637 1 103 . 1 1 9 9 LEU HD11 H 1 0.698 0.020 . 2 . . . . 31 LEU HD1 . 17637 1 104 . 1 1 9 9 LEU HD12 H 1 0.698 0.020 . 2 . . . . 31 LEU HD1 . 17637 1 105 . 1 1 9 9 LEU HD13 H 1 0.698 0.020 . 2 . . . . 31 LEU HD1 . 17637 1 106 . 1 1 9 9 LEU HD21 H 1 0.673 0.020 . 2 . . . . 31 LEU HD2 . 17637 1 107 . 1 1 9 9 LEU HD22 H 1 0.673 0.020 . 2 . . . . 31 LEU HD2 . 17637 1 108 . 1 1 9 9 LEU HD23 H 1 0.673 0.020 . 2 . . . . 31 LEU HD2 . 17637 1 109 . 1 1 9 9 LEU CA C 13 58.478 0.3 . 1 . . . . 31 LEU CA . 17637 1 110 . 1 1 9 9 LEU CB C 13 40.816 0.3 . 1 . . . . 31 LEU CB . 17637 1 111 . 1 1 9 9 LEU CG C 13 27.641 0.3 . 1 . . . . 31 LEU CG . 17637 1 112 . 1 1 9 9 LEU CD1 C 13 23.818 0.3 . 1 . . . . 31 LEU CD1 . 17637 1 113 . 1 1 9 9 LEU CD2 C 13 26.039 0.3 . 1 . . . . 31 LEU CD2 . 17637 1 114 . 1 1 9 9 LEU N N 15 118.914 0.3 . 1 . . . . 31 LEU N . 17637 1 115 . 1 1 10 10 ARG H H 1 8.099 0.020 . 1 . . . . 32 ARG H . 17637 1 116 . 1 1 10 10 ARG HA H 1 3.777 0.020 . 1 . . . . 32 ARG HA . 17637 1 117 . 1 1 10 10 ARG HB2 H 1 1.853 0.020 . 1 . . . . 32 ARG HB2 . 17637 1 118 . 1 1 10 10 ARG HB3 H 1 1.853 0.020 . 1 . . . . 32 ARG HB3 . 17637 1 119 . 1 1 10 10 ARG HG2 H 1 1.733 0.020 . 2 . . . . 32 ARG HG2 . 17637 1 120 . 1 1 10 10 ARG HG3 H 1 1.478 0.020 . 2 . . . . 32 ARG HG3 . 17637 1 121 . 1 1 10 10 ARG HD2 H 1 3.058 0.020 . 1 . . . . 32 ARG HD2 . 17637 1 122 . 1 1 10 10 ARG HD3 H 1 3.058 0.020 . 1 . . . . 32 ARG HD3 . 17637 1 123 . 1 1 10 10 ARG CA C 13 59.762 0.3 . 1 . . . . 32 ARG CA . 17637 1 124 . 1 1 10 10 ARG CB C 13 28.516 0.3 . 1 . . . . 32 ARG CB . 17637 1 125 . 1 1 10 10 ARG CG C 13 27.255 0.3 . 1 . . . . 32 ARG CG . 17637 1 126 . 1 1 10 10 ARG CD C 13 43.229 0.3 . 1 . . . . 32 ARG CD . 17637 1 127 . 1 1 10 10 ARG N N 15 119.270 0.3 . 1 . . . . 32 ARG N . 17637 1 128 . 1 1 11 11 ASP H H 1 8.437 0.020 . 1 . . . . 33 ASP H . 17637 1 129 . 1 1 11 11 ASP HA H 1 4.295 0.020 . 1 . . . . 33 ASP HA . 17637 1 130 . 1 1 11 11 ASP HB2 H 1 2.819 0.020 . 2 . . . . 33 ASP HB2 . 17637 1 131 . 1 1 11 11 ASP HB3 H 1 2.531 0.020 . 2 . . . . 33 ASP HB3 . 17637 1 132 . 1 1 11 11 ASP CA C 13 57.550 0.3 . 1 . . . . 33 ASP CA . 17637 1 133 . 1 1 11 11 ASP CB C 13 39.604 0.3 . 1 . . . . 33 ASP CB . 17637 1 134 . 1 1 11 11 ASP N N 15 120.210 0.3 . 1 . . . . 33 ASP N . 17637 1 135 . 1 1 12 12 LEU H H 1 7.756 0.020 . 1 . . . . 34 LEU H . 17637 1 136 . 1 1 12 12 LEU HA H 1 3.854 0.020 . 1 . . . . 34 LEU HA . 17637 1 137 . 1 1 12 12 LEU HB2 H 1 2.132 0.020 . 2 . . . . 34 LEU HB2 . 17637 1 138 . 1 1 12 12 LEU HB3 H 1 1.861 0.020 . 2 . . . . 34 LEU HB3 . 17637 1 139 . 1 1 12 12 LEU HD11 H 1 0.892 0.020 . 2 . . . . 34 LEU HD1 . 17637 1 140 . 1 1 12 12 LEU HD12 H 1 0.892 0.020 . 2 . . . . 34 LEU HD1 . 17637 1 141 . 1 1 12 12 LEU HD13 H 1 0.892 0.020 . 2 . . . . 34 LEU HD1 . 17637 1 142 . 1 1 12 12 LEU HD21 H 1 0.737 0.020 . 2 . . . . 34 LEU HD2 . 17637 1 143 . 1 1 12 12 LEU HD22 H 1 0.737 0.020 . 2 . . . . 34 LEU HD2 . 17637 1 144 . 1 1 12 12 LEU HD23 H 1 0.737 0.020 . 2 . . . . 34 LEU HD2 . 17637 1 145 . 1 1 12 12 LEU CA C 13 57.835 0.3 . 1 . . . . 34 LEU CA . 17637 1 146 . 1 1 12 12 LEU CB C 13 40.781 0.3 . 1 . . . . 34 LEU CB . 17637 1 147 . 1 1 12 12 LEU CD1 C 13 26.726 0.3 . 1 . . . . 34 LEU CD1 . 17637 1 148 . 1 1 12 12 LEU CD2 C 13 22.529 0.3 . 1 . . . . 34 LEU CD2 . 17637 1 149 . 1 1 12 12 LEU N N 15 122.539 0.3 . 1 . . . . 34 LEU N . 17637 1 150 . 1 1 13 13 ILE H H 1 7.744 0.020 . 1 . . . . 35 ILE H . 17637 1 151 . 1 1 13 13 ILE HA H 1 3.175 0.020 . 1 . . . . 35 ILE HA . 17637 1 152 . 1 1 13 13 ILE HB H 1 1.590 0.020 . 1 . . . . 35 ILE HB . 17637 1 153 . 1 1 13 13 ILE HG12 H 1 1.536 0.020 . 1 . . . . 35 ILE HG12 . 17637 1 154 . 1 1 13 13 ILE HG13 H 1 1.536 0.020 . 1 . . . . 35 ILE HG13 . 17637 1 155 . 1 1 13 13 ILE HG21 H 1 0.524 0.020 . 1 . . . . 35 ILE HG2 . 17637 1 156 . 1 1 13 13 ILE HG22 H 1 0.524 0.020 . 1 . . . . 35 ILE HG2 . 17637 1 157 . 1 1 13 13 ILE HG23 H 1 0.524 0.020 . 1 . . . . 35 ILE HG2 . 17637 1 158 . 1 1 13 13 ILE HD11 H 1 -0.049 0.020 . 1 . . . . 35 ILE HD1 . 17637 1 159 . 1 1 13 13 ILE HD12 H 1 -0.049 0.020 . 1 . . . . 35 ILE HD1 . 17637 1 160 . 1 1 13 13 ILE HD13 H 1 -0.049 0.020 . 1 . . . . 35 ILE HD1 . 17637 1 161 . 1 1 13 13 ILE CA C 13 65.685 0.3 . 1 . . . . 35 ILE CA . 17637 1 162 . 1 1 13 13 ILE CB C 13 38.756 0.3 . 1 . . . . 35 ILE CB . 17637 1 163 . 1 1 13 13 ILE CG1 C 13 30.475 0.3 . 1 . . . . 35 ILE CG1 . 17637 1 164 . 1 1 13 13 ILE CG2 C 13 17.593 0.3 . 1 . . . . 35 ILE CG2 . 17637 1 165 . 1 1 13 13 ILE CD1 C 13 13.599 0.3 . 1 . . . . 35 ILE CD1 . 17637 1 166 . 1 1 13 13 ILE N N 15 119.697 0.3 . 1 . . . . 35 ILE N . 17637 1 167 . 1 1 14 14 GLU H H 1 8.618 0.020 . 1 . . . . 36 GLU H . 17637 1 168 . 1 1 14 14 GLU HA H 1 3.880 0.020 . 1 . . . . 36 GLU HA . 17637 1 169 . 1 1 14 14 GLU HB2 H 1 1.972 0.020 . 1 . . . . 36 GLU HB2 . 17637 1 170 . 1 1 14 14 GLU HB3 H 1 1.972 0.020 . 1 . . . . 36 GLU HB3 . 17637 1 171 . 1 1 14 14 GLU HG2 H 1 2.069 0.020 . 1 . . . . 36 GLU HG2 . 17637 1 172 . 1 1 14 14 GLU HG3 H 1 2.069 0.020 . 1 . . . . 36 GLU HG3 . 17637 1 173 . 1 1 14 14 GLU CA C 13 58.692 0.3 . 1 . . . . 36 GLU CA . 17637 1 174 . 1 1 14 14 GLU CB C 13 29.042 0.3 . 1 . . . . 36 GLU CB . 17637 1 175 . 1 1 14 14 GLU CG C 13 37.214 0.3 . 1 . . . . 36 GLU CG . 17637 1 176 . 1 1 14 14 GLU N N 15 115.890 0.3 . 1 . . . . 36 GLU N . 17637 1 177 . 1 1 15 15 GLY H H 1 7.785 0.020 . 1 . . . . 37 GLY H . 17637 1 178 . 1 1 15 15 GLY HA2 H 1 4.159 0.020 . 2 . . . . 37 GLY HA2 . 17637 1 179 . 1 1 15 15 GLY HA3 H 1 3.599 0.020 . 2 . . . . 37 GLY HA3 . 17637 1 180 . 1 1 15 15 GLY CA C 13 44.919 0.3 . 1 . . . . 37 GLY CA . 17637 1 181 . 1 1 15 15 GLY N N 15 104.803 0.3 . 1 . . . . 37 GLY N . 17637 1 182 . 1 1 16 16 ASN H H 1 6.788 0.020 . 1 . . . . 38 ASN H . 17637 1 183 . 1 1 16 16 ASN HA H 1 4.914 0.020 . 1 . . . . 38 ASN HA . 17637 1 184 . 1 1 16 16 ASN HB2 H 1 2.421 0.020 . 2 . . . . 38 ASN HB2 . 17637 1 185 . 1 1 16 16 ASN HB3 H 1 2.158 0.020 . 2 . . . . 38 ASN HB3 . 17637 1 186 . 1 1 16 16 ASN HD21 H 1 8.834 0.020 . 1 . . . . 38 ASN HD21 . 17637 1 187 . 1 1 16 16 ASN HD22 H 1 7.419 0.020 . 1 . . . . 38 ASN HD22 . 17637 1 188 . 1 1 16 16 ASN CA C 13 52.341 0.3 . 1 . . . . 38 ASN CA . 17637 1 189 . 1 1 16 16 ASN CB C 13 42.092 0.3 . 1 . . . . 38 ASN CB . 17637 1 190 . 1 1 16 16 ASN N N 15 117.300 0.3 . 1 . . . . 38 ASN N . 17637 1 191 . 1 1 16 16 ASN ND2 N 15 119.879 0.3 . 1 . . . . 38 ASN ND2 . 17637 1 192 . 1 1 17 17 ARG H H 1 8.645 0.020 . 1 . . . . 39 ARG H . 17637 1 193 . 1 1 17 17 ARG HA H 1 3.930 0.020 . 1 . . . . 39 ARG HA . 17637 1 194 . 1 1 17 17 ARG HB2 H 1 1.929 0.020 . 1 . . . . 39 ARG HB2 . 17637 1 195 . 1 1 17 17 ARG HB3 H 1 1.929 0.020 . 1 . . . . 39 ARG HB3 . 17637 1 196 . 1 1 17 17 ARG HD2 H 1 3.282 0.020 . 1 . . . . 39 ARG HD2 . 17637 1 197 . 1 1 17 17 ARG HD3 H 1 3.282 0.020 . 1 . . . . 39 ARG HD3 . 17637 1 198 . 1 1 17 17 ARG CA C 13 60.262 0.3 . 1 . . . . 39 ARG CA . 17637 1 199 . 1 1 17 17 ARG CB C 13 29.399 0.3 . 1 . . . . 39 ARG CB . 17637 1 200 . 1 1 17 17 ARG CG C 13 27.383 0.3 . 1 . . . . 39 ARG CG . 17637 1 201 . 1 1 17 17 ARG CD C 13 43.665 0.3 . 1 . . . . 39 ARG CD . 17637 1 202 . 1 1 17 17 ARG N N 15 126.515 0.3 . 1 . . . . 39 ARG N . 17637 1 203 . 1 1 18 18 VAL H H 1 8.467 0.020 . 1 . . . . 40 VAL H . 17637 1 204 . 1 1 18 18 VAL HA H 1 4.567 0.020 . 1 . . . . 40 VAL HA . 17637 1 205 . 1 1 18 18 VAL HB H 1 1.751 0.020 . 1 . . . . 40 VAL HB . 17637 1 206 . 1 1 18 18 VAL HG11 H 1 0.690 0.020 . 2 . . . . 40 VAL HG1 . 17637 1 207 . 1 1 18 18 VAL HG12 H 1 0.690 0.020 . 2 . . . . 40 VAL HG1 . 17637 1 208 . 1 1 18 18 VAL HG13 H 1 0.690 0.020 . 2 . . . . 40 VAL HG1 . 17637 1 209 . 1 1 18 18 VAL HG21 H 1 -0.129 0.020 . 2 . . . . 40 VAL HG2 . 17637 1 210 . 1 1 18 18 VAL HG22 H 1 -0.129 0.020 . 2 . . . . 40 VAL HG2 . 17637 1 211 . 1 1 18 18 VAL HG23 H 1 -0.129 0.020 . 2 . . . . 40 VAL HG2 . 17637 1 212 . 1 1 18 18 VAL CA C 13 62.046 0.3 . 1 . . . . 40 VAL CA . 17637 1 213 . 1 1 18 18 VAL CB C 13 33.065 0.3 . 1 . . . . 40 VAL CB . 17637 1 214 . 1 1 18 18 VAL CG1 C 13 22.488 0.3 . 1 . . . . 40 VAL CG1 . 17637 1 215 . 1 1 18 18 VAL CG2 C 13 21.017 0.3 . 1 . . . . 40 VAL CG2 . 17637 1 216 . 1 1 18 18 VAL N N 15 116.543 0.3 . 1 . . . . 40 VAL N . 17637 1 217 . 1 1 19 19 MET H H 1 8.954 0.020 . 1 . . . . 41 MET H . 17637 1 218 . 1 1 19 19 MET HA H 1 5.168 0.020 . 1 . . . . 41 MET HA . 17637 1 219 . 1 1 19 19 MET HB2 H 1 2.065 0.020 . 2 . . . . 41 MET HB2 . 17637 1 220 . 1 1 19 19 MET HB3 H 1 1.293 0.020 . 2 . . . . 41 MET HB3 . 17637 1 221 . 1 1 19 19 MET HG2 H 1 2.327 0.020 . 1 . . . . 41 MET HG2 . 17637 1 222 . 1 1 19 19 MET HG3 H 1 2.327 0.020 . 1 . . . . 41 MET HG3 . 17637 1 223 . 1 1 19 19 MET CA C 13 52.341 0.3 . 1 . . . . 41 MET CA . 17637 1 224 . 1 1 19 19 MET CB C 13 35.126 0.3 . 1 . . . . 41 MET CB . 17637 1 225 . 1 1 19 19 MET CG C 13 34.340 0.3 . 1 . . . . 41 MET CG . 17637 1 226 . 1 1 19 19 MET N N 15 128.577 0.3 . 1 . . . . 41 MET N . 17637 1 227 . 1 1 20 20 ILE H H 1 8.485 0.020 . 1 . . . . 42 ILE H . 17637 1 228 . 1 1 20 20 ILE HA H 1 4.524 0.020 . 1 . . . . 42 ILE HA . 17637 1 229 . 1 1 20 20 ILE HB H 1 1.759 0.020 . 1 . . . . 42 ILE HB . 17637 1 230 . 1 1 20 20 ILE HG12 H 1 1.402 0.020 . 1 . . . . 42 ILE HG12 . 17637 1 231 . 1 1 20 20 ILE HG13 H 1 1.402 0.020 . 1 . . . . 42 ILE HG13 . 17637 1 232 . 1 1 20 20 ILE HG21 H 1 0.626 0.020 . 1 . . . . 42 ILE HG2 . 17637 1 233 . 1 1 20 20 ILE HG22 H 1 0.626 0.020 . 1 . . . . 42 ILE HG2 . 17637 1 234 . 1 1 20 20 ILE HG23 H 1 0.626 0.020 . 1 . . . . 42 ILE HG2 . 17637 1 235 . 1 1 20 20 ILE HD11 H 1 0.189 0.020 . 1 . . . . 42 ILE HD1 . 17637 1 236 . 1 1 20 20 ILE HD12 H 1 0.189 0.020 . 1 . . . . 42 ILE HD1 . 17637 1 237 . 1 1 20 20 ILE HD13 H 1 0.189 0.020 . 1 . . . . 42 ILE HD1 . 17637 1 238 . 1 1 20 20 ILE CA C 13 60.503 0.3 . 1 . . . . 42 ILE CA . 17637 1 239 . 1 1 20 20 ILE CB C 13 39.933 0.3 . 1 . . . . 42 ILE CB . 17637 1 240 . 1 1 20 20 ILE CG1 C 13 27.255 0.3 . 1 . . . . 42 ILE CG1 . 17637 1 241 . 1 1 20 20 ILE CG2 C 13 16.691 0.3 . 1 . . . . 42 ILE CG2 . 17637 1 242 . 1 1 20 20 ILE CD1 C 13 14.243 0.3 . 1 . . . . 42 ILE CD1 . 17637 1 243 . 1 1 20 20 ILE N N 15 126.465 0.3 . 1 . . . . 42 ILE N . 17637 1 244 . 1 1 21 21 PHE H H 1 8.940 0.020 . 1 . . . . 43 PHE H . 17637 1 245 . 1 1 21 21 PHE HA H 1 4.982 0.020 . 1 . . . . 43 PHE HA . 17637 1 246 . 1 1 21 21 PHE HB2 H 1 3.312 0.020 . 2 . . . . 43 PHE HB2 . 17637 1 247 . 1 1 21 21 PHE HB3 H 1 2.845 0.020 . 2 . . . . 43 PHE HB3 . 17637 1 248 . 1 1 21 21 PHE HD1 H 1 7.333 0.020 . 1 . . . . 43 PHE HD1 . 17637 1 249 . 1 1 21 21 PHE HD2 H 1 7.333 0.020 . 1 . . . . 43 PHE HD2 . 17637 1 250 . 1 1 21 21 PHE CA C 13 58.050 0.3 . 1 . . . . 43 PHE CA . 17637 1 251 . 1 1 21 21 PHE CB C 13 39.496 0.3 . 1 . . . . 43 PHE CB . 17637 1 252 . 1 1 21 21 PHE N N 15 126.960 0.3 . 1 . . . . 43 PHE N . 17637 1 253 . 1 1 22 22 SER H H 1 8.704 0.020 . 1 . . . . 44 SER H . 17637 1 254 . 1 1 22 22 SER HA H 1 4.719 0.020 . 1 . . . . 44 SER HA . 17637 1 255 . 1 1 22 22 SER HB2 H 1 3.379 0.020 . 2 . . . . 44 SER HB2 . 17637 1 256 . 1 1 22 22 SER HB3 H 1 3.124 0.020 . 2 . . . . 44 SER HB3 . 17637 1 257 . 1 1 22 22 SER CA C 13 56.480 0.3 . 1 . . . . 44 SER CA . 17637 1 258 . 1 1 22 22 SER CB C 13 65.756 0.3 . 1 . . . . 44 SER CB . 17637 1 259 . 1 1 22 22 SER N N 15 121.337 0.3 . 1 . . . . 44 SER N . 17637 1 260 . 1 1 23 23 LYS H H 1 7.514 0.020 . 1 . . . . 45 LYS H . 17637 1 261 . 1 1 23 23 LYS HA H 1 4.725 0.020 . 1 . . . . 45 LYS HA . 17637 1 262 . 1 1 23 23 LYS HB2 H 1 1.166 0.020 . 2 . . . . 45 LYS HB2 . 17637 1 263 . 1 1 23 23 LYS HB3 H 1 0.945 0.020 . 2 . . . . 45 LYS HB3 . 17637 1 264 . 1 1 23 23 LYS HD2 H 1 1.374 0.020 . 1 . . . . 45 LYS HD2 . 17637 1 265 . 1 1 23 23 LYS HD3 H 1 1.374 0.020 . 1 . . . . 45 LYS HD3 . 17637 1 266 . 1 1 23 23 LYS HE2 H 1 2.809 0.020 . 1 . . . . 45 LYS HE2 . 17637 1 267 . 1 1 23 23 LYS HE3 H 1 2.809 0.020 . 1 . . . . 45 LYS HE3 . 17637 1 268 . 1 1 23 23 LYS CA C 13 57.336 0.3 . 1 . . . . 45 LYS CA . 17637 1 269 . 1 1 23 23 LYS CB C 13 37.628 0.3 . 1 . . . . 45 LYS CB . 17637 1 270 . 1 1 23 23 LYS CD C 13 28.414 0.3 . 1 . . . . 45 LYS CD . 17637 1 271 . 1 1 23 23 LYS CE C 13 42.759 0.3 . 1 . . . . 45 LYS CE . 17637 1 272 . 1 1 23 23 LYS N N 15 119.991 0.3 . 1 . . . . 45 LYS N . 17637 1 273 . 1 1 24 24 SER H H 1 9.905 0.020 . 1 . . . . 46 SER H . 17637 1 274 . 1 1 24 24 SER HA H 1 4.671 0.020 . 1 . . . . 46 SER HA . 17637 1 275 . 1 1 24 24 SER HB2 H 1 4.558 0.020 . 1 . . . . 46 SER HB2 . 17637 1 276 . 1 1 24 24 SER HB3 H 1 4.558 0.020 . 1 . . . . 46 SER HB3 . 17637 1 277 . 1 1 24 24 SER CA C 13 61.903 0.3 . 1 . . . . 46 SER CA . 17637 1 278 . 1 1 24 24 SER CB C 13 62.658 0.3 . 1 . . . . 46 SER CB . 17637 1 279 . 1 1 24 24 SER N N 15 122.524 0.3 . 1 . . . . 46 SER N . 17637 1 280 . 1 1 25 25 TYR H H 1 6.357 0.020 . 1 . . . . 47 TYR H . 17637 1 281 . 1 1 25 25 TYR HA H 1 4.667 0.020 . 1 . . . . 47 TYR HA . 17637 1 282 . 1 1 25 25 TYR HB2 H 1 3.362 0.020 . 2 . . . . 47 TYR HB2 . 17637 1 283 . 1 1 25 25 TYR HB3 H 1 2.751 0.020 . 2 . . . . 47 TYR HB3 . 17637 1 284 . 1 1 25 25 TYR HD1 H 1 6.965 0.020 . 1 . . . . 47 TYR HD1 . 17637 1 285 . 1 1 25 25 TYR HD2 H 1 6.965 0.020 . 1 . . . . 47 TYR HD2 . 17637 1 286 . 1 1 25 25 TYR CA C 13 54.553 0.3 . 1 . . . . 47 TYR CA . 17637 1 287 . 1 1 25 25 TYR CB C 13 37.355 0.3 . 1 . . . . 47 TYR CB . 17637 1 288 . 1 1 25 25 TYR N N 15 115.809 0.3 . 1 . . . . 47 TYR N . 17637 1 289 . 1 1 26 26 CYS H H 1 6.967 0.020 . 1 . . . . 48 CYS H . 17637 1 290 . 1 1 26 26 CYS HA H 1 4.642 0.020 . 1 . . . . 48 CYS HA . 17637 1 291 . 1 1 26 26 CYS HB2 H 1 2.972 0.020 . 2 . . . . 48 CYS HB2 . 17637 1 292 . 1 1 26 26 CYS HB3 H 1 2.573 0.020 . 2 . . . . 48 CYS HB3 . 17637 1 293 . 1 1 26 26 CYS CA C 13 56.836 0.3 . 1 . . . . 48 CYS CA . 17637 1 294 . 1 1 26 26 CYS CB C 13 29.694 0.3 . 1 . . . . 48 CYS CB . 17637 1 295 . 1 1 26 26 CYS N N 15 129.532 0.3 . 1 . . . . 48 CYS N . 17637 1 296 . 1 1 27 27 PRO HA H 1 4.383 0.020 . 1 . . . . 49 PRO HA . 17637 1 297 . 1 1 27 27 PRO HB2 H 1 2.250 0.020 . 1 . . . . 49 PRO HB2 . 17637 1 298 . 1 1 27 27 PRO HB3 H 1 2.250 0.020 . 1 . . . . 49 PRO HB3 . 17637 1 299 . 1 1 27 27 PRO CA C 13 64.543 0.3 . 1 . . . . 49 PRO CA . 17637 1 300 . 1 1 27 27 PRO CB C 13 31.284 0.3 . 1 . . . . 49 PRO CB . 17637 1 301 . 1 1 28 28 HIS H H 1 8.709 0.020 . 1 . . . . 50 HIS H . 17637 1 302 . 1 1 28 28 HIS HA H 1 4.464 0.020 . 1 . . . . 50 HIS HA . 17637 1 303 . 1 1 28 28 HIS HB2 H 1 3.099 0.020 . 1 . . . . 50 HIS HB2 . 17637 1 304 . 1 1 28 28 HIS HB3 H 1 3.099 0.020 . 1 . . . . 50 HIS HB3 . 17637 1 305 . 1 1 28 28 HIS CA C 13 59.191 0.3 . 1 . . . . 50 HIS CA . 17637 1 306 . 1 1 28 28 HIS CB C 13 30.675 0.3 . 1 . . . . 50 HIS CB . 17637 1 307 . 1 1 28 28 HIS N N 15 126.347 0.3 . 1 . . . . 50 HIS N . 17637 1 308 . 1 1 29 29 SER H H 1 10.401 0.020 . 1 . . . . 51 SER H . 17637 1 309 . 1 1 29 29 SER HA H 1 3.917 0.020 . 1 . . . . 51 SER HA . 17637 1 310 . 1 1 29 29 SER HB2 H 1 3.785 0.020 . 1 . . . . 51 SER HB2 . 17637 1 311 . 1 1 29 29 SER HB3 H 1 3.785 0.020 . 1 . . . . 51 SER HB3 . 17637 1 312 . 1 1 29 29 SER CA C 13 63.259 0.3 . 1 . . . . 51 SER CA . 17637 1 313 . 1 1 29 29 SER CB C 13 63.938 0.3 . 1 . . . . 51 SER CB . 17637 1 314 . 1 1 29 29 SER N N 15 127.808 0.3 . 1 . . . . 51 SER N . 17637 1 315 . 1 1 30 30 THR H H 1 8.251 0.020 . 1 . . . . 52 THR H . 17637 1 316 . 1 1 30 30 THR HA H 1 3.750 0.020 . 1 . . . . 52 THR HA . 17637 1 317 . 1 1 30 30 THR HB H 1 4.151 0.020 . 1 . . . . 52 THR HB . 17637 1 318 . 1 1 30 30 THR HG21 H 1 1.187 0.020 . 1 . . . . 52 THR HG2 . 17637 1 319 . 1 1 30 30 THR HG22 H 1 1.187 0.020 . 1 . . . . 52 THR HG2 . 17637 1 320 . 1 1 30 30 THR HG23 H 1 1.187 0.020 . 1 . . . . 52 THR HG2 . 17637 1 321 . 1 1 30 30 THR CA C 13 67.683 0.3 . 1 . . . . 52 THR CA . 17637 1 322 . 1 1 30 30 THR CB C 13 68.683 0.3 . 1 . . . . 52 THR CB . 17637 1 323 . 1 1 30 30 THR CG2 C 13 22.046 0.3 . 1 . . . . 52 THR CG2 . 17637 1 324 . 1 1 30 30 THR N N 15 119.976 0.3 . 1 . . . . 52 THR N . 17637 1 325 . 1 1 31 31 ARG H H 1 7.740 0.020 . 1 . . . . 53 ARG H . 17637 1 326 . 1 1 31 31 ARG HA H 1 4.134 0.020 . 1 . . . . 53 ARG HA . 17637 1 327 . 1 1 31 31 ARG HB2 H 1 2.158 0.020 . 2 . . . . 53 ARG HB2 . 17637 1 328 . 1 1 31 31 ARG HB3 H 1 2.040 0.020 . 2 . . . . 53 ARG HB3 . 17637 1 329 . 1 1 31 31 ARG HG2 H 1 1.915 0.020 . 1 . . . . 53 ARG HG2 . 17637 1 330 . 1 1 31 31 ARG HG3 H 1 1.915 0.020 . 1 . . . . 53 ARG HG3 . 17637 1 331 . 1 1 31 31 ARG HD2 H 1 3.106 0.020 . 1 . . . . 53 ARG HD2 . 17637 1 332 . 1 1 31 31 ARG HD3 H 1 3.106 0.020 . 1 . . . . 53 ARG HD3 . 17637 1 333 . 1 1 31 31 ARG CA C 13 59.976 0.3 . 1 . . . . 53 ARG CA . 17637 1 334 . 1 1 31 31 ARG CB C 13 30.184 0.3 . 1 . . . . 53 ARG CB . 17637 1 335 . 1 1 31 31 ARG CG C 13 27.904 0.3 . 1 . . . . 53 ARG CG . 17637 1 336 . 1 1 31 31 ARG CD C 13 43.810 0.3 . 1 . . . . 53 ARG CD . 17637 1 337 . 1 1 31 31 ARG N N 15 121.104 0.3 . 1 . . . . 53 ARG N . 17637 1 338 . 1 1 32 32 VAL H H 1 7.817 0.020 . 1 . . . . 54 VAL H . 17637 1 339 . 1 1 32 32 VAL HA H 1 3.724 0.020 . 1 . . . . 54 VAL HA . 17637 1 340 . 1 1 32 32 VAL HB H 1 2.200 0.020 . 1 . . . . 54 VAL HB . 17637 1 341 . 1 1 32 32 VAL HG11 H 1 1.162 0.020 . 2 . . . . 54 VAL HG1 . 17637 1 342 . 1 1 32 32 VAL HG12 H 1 1.162 0.020 . 2 . . . . 54 VAL HG1 . 17637 1 343 . 1 1 32 32 VAL HG13 H 1 1.162 0.020 . 2 . . . . 54 VAL HG1 . 17637 1 344 . 1 1 32 32 VAL HG21 H 1 1.024 0.020 . 2 . . . . 54 VAL HG2 . 17637 1 345 . 1 1 32 32 VAL HG22 H 1 1.024 0.020 . 2 . . . . 54 VAL HG2 . 17637 1 346 . 1 1 32 32 VAL HG23 H 1 1.024 0.020 . 2 . . . . 54 VAL HG2 . 17637 1 347 . 1 1 32 32 VAL CA C 13 66.399 0.3 . 1 . . . . 54 VAL CA . 17637 1 348 . 1 1 32 32 VAL CB C 13 30.086 0.3 . 1 . . . . 54 VAL CB . 17637 1 349 . 1 1 32 32 VAL CG1 C 13 23.805 0.3 . 1 . . . . 54 VAL CG1 . 17637 1 350 . 1 1 32 32 VAL CG2 C 13 22.773 0.3 . 1 . . . . 54 VAL CG2 . 17637 1 351 . 1 1 32 32 VAL N N 15 118.422 0.3 . 1 . . . . 54 VAL N . 17637 1 352 . 1 1 33 33 LYS H H 1 8.048 0.020 . 1 . . . . 55 LYS H . 17637 1 353 . 1 1 33 33 LYS HA H 1 3.370 0.020 . 1 . . . . 55 LYS HA . 17637 1 354 . 1 1 33 33 LYS HB2 H 1 1.997 0.020 . 1 . . . . 55 LYS HB2 . 17637 1 355 . 1 1 33 33 LYS HB3 H 1 1.997 0.020 . 1 . . . . 55 LYS HB3 . 17637 1 356 . 1 1 33 33 LYS HG2 H 1 1.072 0.020 . 1 . . . . 55 LYS HG2 . 17637 1 357 . 1 1 33 33 LYS HG3 H 1 1.072 0.020 . 1 . . . . 55 LYS HG3 . 17637 1 358 . 1 1 33 33 LYS HE2 H 1 2.718 0.020 . 1 . . . . 55 LYS HE2 . 17637 1 359 . 1 1 33 33 LYS HE3 H 1 2.718 0.020 . 1 . . . . 55 LYS HE3 . 17637 1 360 . 1 1 33 33 LYS CA C 13 60.904 0.3 . 1 . . . . 55 LYS CA . 17637 1 361 . 1 1 33 33 LYS CB C 13 32.084 0.3 . 1 . . . . 55 LYS CB . 17637 1 362 . 1 1 33 33 LYS CG C 13 25.884 0.3 . 1 . . . . 55 LYS CG . 17637 1 363 . 1 1 33 33 LYS CE C 13 41.683 0.3 . 1 . . . . 55 LYS CE . 17637 1 364 . 1 1 33 33 LYS N N 15 122.671 0.3 . 1 . . . . 55 LYS N . 17637 1 365 . 1 1 34 34 GLU H H 1 8.133 0.020 . 1 . . . . 56 GLU H . 17637 1 366 . 1 1 34 34 GLU HA H 1 3.972 0.020 . 1 . . . . 56 GLU HA . 17637 1 367 . 1 1 34 34 GLU HB2 H 1 2.158 0.020 . 2 . . . . 56 GLU HB2 . 17637 1 368 . 1 1 34 34 GLU HB3 H 1 1.997 0.020 . 2 . . . . 56 GLU HB3 . 17637 1 369 . 1 1 34 34 GLU HG2 H 1 2.306 0.020 . 1 . . . . 56 GLU HG2 . 17637 1 370 . 1 1 34 34 GLU HG3 H 1 2.306 0.020 . 1 . . . . 56 GLU HG3 . 17637 1 371 . 1 1 34 34 GLU CA C 13 59.120 0.3 . 1 . . . . 56 GLU CA . 17637 1 372 . 1 1 34 34 GLU CB C 13 28.944 0.3 . 1 . . . . 56 GLU CB . 17637 1 373 . 1 1 34 34 GLU CG C 13 36.337 0.3 . 1 . . . . 56 GLU CG . 17637 1 374 . 1 1 34 34 GLU N N 15 117.966 0.3 . 1 . . . . 56 GLU N . 17637 1 375 . 1 1 35 35 LEU H H 1 7.697 0.020 . 1 . . . . 57 LEU H . 17637 1 376 . 1 1 35 35 LEU HA H 1 3.947 0.020 . 1 . . . . 57 LEU HA . 17637 1 377 . 1 1 35 35 LEU HB2 H 1 1.556 0.020 . 1 . . . . 57 LEU HB2 . 17637 1 378 . 1 1 35 35 LEU HB3 H 1 1.556 0.020 . 1 . . . . 57 LEU HB3 . 17637 1 379 . 1 1 35 35 LEU HG H 1 0.253 0.020 . 1 . . . . 57 LEU HG . 17637 1 380 . 1 1 35 35 LEU HD11 H 1 -0.167 0.020 . 2 . . . . 57 LEU HD1 . 17637 1 381 . 1 1 35 35 LEU HD12 H 1 -0.167 0.020 . 2 . . . . 57 LEU HD1 . 17637 1 382 . 1 1 35 35 LEU HD13 H 1 -0.167 0.020 . 2 . . . . 57 LEU HD1 . 17637 1 383 . 1 1 35 35 LEU HD21 H 1 -0.590 0.020 . 2 . . . . 57 LEU HD2 . 17637 1 384 . 1 1 35 35 LEU HD22 H 1 -0.590 0.020 . 2 . . . . 57 LEU HD2 . 17637 1 385 . 1 1 35 35 LEU HD23 H 1 -0.590 0.020 . 2 . . . . 57 LEU HD2 . 17637 1 386 . 1 1 35 35 LEU CA C 13 57.978 0.3 . 1 . . . . 57 LEU CA . 17637 1 387 . 1 1 35 35 LEU CB C 13 39.835 0.3 . 1 . . . . 57 LEU CB . 17637 1 388 . 1 1 35 35 LEU CG C 13 26.997 0.3 . 1 . . . . 57 LEU CG . 17637 1 389 . 1 1 35 35 LEU CD1 C 13 20.684 0.3 . 1 . . . . 57 LEU CD1 . 17637 1 390 . 1 1 35 35 LEU CD2 C 13 24.034 0.3 . 1 . . . . 57 LEU CD2 . 17637 1 391 . 1 1 35 35 LEU N N 15 123.044 0.3 . 1 . . . . 57 LEU N . 17637 1 392 . 1 1 36 36 PHE H H 1 7.687 0.020 . 1 . . . . 58 PHE H . 17637 1 393 . 1 1 36 36 PHE HA H 1 3.905 0.020 . 1 . . . . 58 PHE HA . 17637 1 394 . 1 1 36 36 PHE HB2 H 1 3.006 0.020 . 2 . . . . 58 PHE HB2 . 17637 1 395 . 1 1 36 36 PHE HB3 H 1 2.395 0.020 . 2 . . . . 58 PHE HB3 . 17637 1 396 . 1 1 36 36 PHE HD1 H 1 6.830 0.020 . 1 . . . . 58 PHE HD1 . 17637 1 397 . 1 1 36 36 PHE HD2 H 1 6.830 0.020 . 1 . . . . 58 PHE HD2 . 17637 1 398 . 1 1 36 36 PHE CA C 13 64.187 0.3 . 1 . . . . 58 PHE CA . 17637 1 399 . 1 1 36 36 PHE CB C 13 38.069 0.3 . 1 . . . . 58 PHE CB . 17637 1 400 . 1 1 36 36 PHE N N 15 117.339 0.3 . 1 . . . . 58 PHE N . 17637 1 401 . 1 1 37 37 SER H H 1 8.726 0.020 . 1 . . . . 59 SER H . 17637 1 402 . 1 1 37 37 SER HA H 1 4.117 0.020 . 1 . . . . 59 SER HA . 17637 1 403 . 1 1 37 37 SER HB2 H 1 4.074 0.020 . 1 . . . . 59 SER HB2 . 17637 1 404 . 1 1 37 37 SER HB3 H 1 4.074 0.020 . 1 . . . . 59 SER HB3 . 17637 1 405 . 1 1 37 37 SER CA C 13 63.032 0.3 . 1 . . . . 59 SER CA . 17637 1 406 . 1 1 37 37 SER CB C 13 61.809 0.3 . 1 . . . . 59 SER CB . 17637 1 407 . 1 1 37 37 SER N N 15 116.071 0.3 . 1 . . . . 59 SER N . 17637 1 408 . 1 1 38 38 SER H H 1 8.438 0.020 . 1 . . . . 60 SER H . 17637 1 409 . 1 1 38 38 SER HA H 1 4.303 0.020 . 1 . . . . 60 SER HA . 17637 1 410 . 1 1 38 38 SER HB2 H 1 4.074 0.020 . 1 . . . . 60 SER HB2 . 17637 1 411 . 1 1 38 38 SER HB3 H 1 4.074 0.020 . 1 . . . . 60 SER HB3 . 17637 1 412 . 1 1 38 38 SER CA C 13 61.689 0.3 . 1 . . . . 60 SER CA . 17637 1 413 . 1 1 38 38 SER CB C 13 62.564 0.3 . 1 . . . . 60 SER CB . 17637 1 414 . 1 1 38 38 SER N N 15 120.773 0.3 . 1 . . . . 60 SER N . 17637 1 415 . 1 1 39 39 LEU H H 1 7.442 0.020 . 1 . . . . 61 LEU H . 17637 1 416 . 1 1 39 39 LEU HA H 1 4.319 0.020 . 1 . . . . 61 LEU HA . 17637 1 417 . 1 1 39 39 LEU HB2 H 1 1.850 0.020 . 2 . . . . 61 LEU HB2 . 17637 1 418 . 1 1 39 39 LEU HB3 H 1 1.582 0.020 . 2 . . . . 61 LEU HB3 . 17637 1 419 . 1 1 39 39 LEU HG H 1 1.621 0.020 . 1 . . . . 61 LEU HG . 17637 1 420 . 1 1 39 39 LEU HD11 H 1 0.739 0.020 . 2 . . . . 61 LEU HD1 . 17637 1 421 . 1 1 39 39 LEU HD12 H 1 0.739 0.020 . 2 . . . . 61 LEU HD1 . 17637 1 422 . 1 1 39 39 LEU HD13 H 1 0.739 0.020 . 2 . . . . 61 LEU HD1 . 17637 1 423 . 1 1 39 39 LEU HD21 H 1 0.365 0.020 . 2 . . . . 61 LEU HD2 . 17637 1 424 . 1 1 39 39 LEU HD22 H 1 0.365 0.020 . 2 . . . . 61 LEU HD2 . 17637 1 425 . 1 1 39 39 LEU HD23 H 1 0.365 0.020 . 2 . . . . 61 LEU HD2 . 17637 1 426 . 1 1 39 39 LEU CA C 13 54.981 0.3 . 1 . . . . 61 LEU CA . 17637 1 427 . 1 1 39 39 LEU CB C 13 42.707 0.3 . 1 . . . . 61 LEU CB . 17637 1 428 . 1 1 39 39 LEU CG C 13 26.353 0.3 . 1 . . . . 61 LEU CG . 17637 1 429 . 1 1 39 39 LEU CD1 C 13 22.236 0.3 . 1 . . . . 61 LEU CD1 . 17637 1 430 . 1 1 39 39 LEU CD2 C 13 25.193 0.3 . 1 . . . . 61 LEU CD2 . 17637 1 431 . 1 1 39 39 LEU N N 15 121.630 0.3 . 1 . . . . 61 LEU N . 17637 1 432 . 1 1 40 40 GLY H H 1 7.964 0.020 . 1 . . . . 62 GLY H . 17637 1 433 . 1 1 40 40 GLY HA2 H 1 4.015 0.020 . 2 . . . . 62 GLY HA2 . 17637 1 434 . 1 1 40 40 GLY HA3 H 1 3.862 0.020 . 2 . . . . 62 GLY HA3 . 17637 1 435 . 1 1 40 40 GLY CA C 13 46.061 0.3 . 1 . . . . 62 GLY CA . 17637 1 436 . 1 1 40 40 GLY N N 15 109.017 0.3 . 1 . . . . 62 GLY N . 17637 1 437 . 1 1 41 41 VAL H H 1 7.515 0.020 . 1 . . . . 63 VAL H . 17637 1 438 . 1 1 41 41 VAL HA H 1 4.210 0.020 . 1 . . . . 63 VAL HA . 17637 1 439 . 1 1 41 41 VAL HB H 1 2.158 0.020 . 1 . . . . 63 VAL HB . 17637 1 440 . 1 1 41 41 VAL HG11 H 1 0.992 0.020 . 2 . . . . 63 VAL HG1 . 17637 1 441 . 1 1 41 41 VAL HG12 H 1 0.992 0.020 . 2 . . . . 63 VAL HG1 . 17637 1 442 . 1 1 41 41 VAL HG13 H 1 0.992 0.020 . 2 . . . . 63 VAL HG1 . 17637 1 443 . 1 1 41 41 VAL HG21 H 1 0.924 0.020 . 2 . . . . 63 VAL HG2 . 17637 1 444 . 1 1 41 41 VAL HG22 H 1 0.924 0.020 . 2 . . . . 63 VAL HG2 . 17637 1 445 . 1 1 41 41 VAL HG23 H 1 0.924 0.020 . 2 . . . . 63 VAL HG2 . 17637 1 446 . 1 1 41 41 VAL CA C 13 60.833 0.3 . 1 . . . . 63 VAL CA . 17637 1 447 . 1 1 41 41 VAL CB C 13 33.752 0.3 . 1 . . . . 63 VAL CB . 17637 1 448 . 1 1 41 41 VAL CG1 C 13 22.026 0.3 . 1 . . . . 63 VAL CG1 . 17637 1 449 . 1 1 41 41 VAL CG2 C 13 22.345 0.3 . 1 . . . . 63 VAL CG2 . 17637 1 450 . 1 1 41 41 VAL N N 15 118.913 0.3 . 1 . . . . 63 VAL N . 17637 1 451 . 1 1 42 42 VAL H H 1 8.313 0.020 . 1 . . . . 64 VAL H . 17637 1 452 . 1 1 42 42 VAL HA H 1 3.816 0.020 . 1 . . . . 64 VAL HA . 17637 1 453 . 1 1 42 42 VAL HB H 1 1.878 0.020 . 1 . . . . 64 VAL HB . 17637 1 454 . 1 1 42 42 VAL HG11 H 1 0.930 0.020 . 2 . . . . 64 VAL HG1 . 17637 1 455 . 1 1 42 42 VAL HG12 H 1 0.930 0.020 . 2 . . . . 64 VAL HG1 . 17637 1 456 . 1 1 42 42 VAL HG13 H 1 0.930 0.020 . 2 . . . . 64 VAL HG1 . 17637 1 457 . 1 1 42 42 VAL HG21 H 1 0.773 0.020 . 2 . . . . 64 VAL HG2 . 17637 1 458 . 1 1 42 42 VAL HG22 H 1 0.773 0.020 . 2 . . . . 64 VAL HG2 . 17637 1 459 . 1 1 42 42 VAL HG23 H 1 0.773 0.020 . 2 . . . . 64 VAL HG2 . 17637 1 460 . 1 1 42 42 VAL CA C 13 63.188 0.3 . 1 . . . . 64 VAL CA . 17637 1 461 . 1 1 42 42 VAL CB C 13 31.397 0.3 . 1 . . . . 64 VAL CB . 17637 1 462 . 1 1 42 42 VAL CG1 C 13 21.599 0.3 . 1 . . . . 64 VAL CG1 . 17637 1 463 . 1 1 42 42 VAL CG2 C 13 21.214 0.3 . 1 . . . . 64 VAL CG2 . 17637 1 464 . 1 1 42 42 VAL N N 15 127.570 0.3 . 1 . . . . 64 VAL N . 17637 1 465 . 1 1 43 43 TYR H H 1 7.490 0.020 . 1 . . . . 65 TYR H . 17637 1 466 . 1 1 43 43 TYR HA H 1 5.084 0.020 . 1 . . . . 65 TYR HA . 17637 1 467 . 1 1 43 43 TYR HB2 H 1 2.470 0.020 . 2 . . . . 65 TYR HB2 . 17637 1 468 . 1 1 43 43 TYR HB3 H 1 2.180 0.020 . 2 . . . . 65 TYR HB3 . 17637 1 469 . 1 1 43 43 TYR HD1 H 1 6.695 0.020 . 1 . . . . 65 TYR HD1 . 17637 1 470 . 1 1 43 43 TYR HD2 H 1 6.695 0.020 . 1 . . . . 65 TYR HD2 . 17637 1 471 . 1 1 43 43 TYR CA C 13 54.410 0.3 . 1 . . . . 65 TYR CA . 17637 1 472 . 1 1 43 43 TYR CB C 13 41.405 0.3 . 1 . . . . 65 TYR CB . 17637 1 473 . 1 1 43 43 TYR N N 15 123.179 0.3 . 1 . . . . 65 TYR N . 17637 1 474 . 1 1 44 44 ASN H H 1 8.590 0.020 . 1 . . . . 66 ASN H . 17637 1 475 . 1 1 44 44 ASN HA H 1 4.973 0.020 . 1 . . . . 66 ASN HA . 17637 1 476 . 1 1 44 44 ASN HB2 H 1 2.862 0.020 . 2 . . . . 66 ASN HB2 . 17637 1 477 . 1 1 44 44 ASN HB3 H 1 2.455 0.020 . 2 . . . . 66 ASN HB3 . 17637 1 478 . 1 1 44 44 ASN HD21 H 1 6.879 0.020 . 1 . . . . 66 ASN HD21 . 17637 1 479 . 1 1 44 44 ASN HD22 H 1 6.551 0.020 . 1 . . . . 66 ASN HD22 . 17637 1 480 . 1 1 44 44 ASN CA C 13 50.771 0.3 . 1 . . . . 66 ASN CA . 17637 1 481 . 1 1 44 44 ASN CB C 13 41.111 0.3 . 1 . . . . 66 ASN CB . 17637 1 482 . 1 1 44 44 ASN N N 15 121.440 0.3 . 1 . . . . 66 ASN N . 17637 1 483 . 1 1 44 44 ASN ND2 N 15 110.208 0.3 . 1 . . . . 66 ASN ND2 . 17637 1 484 . 1 1 45 45 ILE H H 1 8.025 0.020 . 1 . . . . 67 ILE H . 17637 1 485 . 1 1 45 45 ILE HA H 1 5.295 0.020 . 1 . . . . 67 ILE HA . 17637 1 486 . 1 1 45 45 ILE HB H 1 1.564 0.020 . 1 . . . . 67 ILE HB . 17637 1 487 . 1 1 45 45 ILE HG12 H 1 1.412 0.020 . 2 . . . . 67 ILE HG12 . 17637 1 488 . 1 1 45 45 ILE HG13 H 1 0.907 0.020 . 2 . . . . 67 ILE HG13 . 17637 1 489 . 1 1 45 45 ILE HG21 H 1 0.878 0.020 . 1 . . . . 67 ILE HG2 . 17637 1 490 . 1 1 45 45 ILE HG22 H 1 0.878 0.020 . 1 . . . . 67 ILE HG2 . 17637 1 491 . 1 1 45 45 ILE HG23 H 1 0.878 0.020 . 1 . . . . 67 ILE HG2 . 17637 1 492 . 1 1 45 45 ILE HD11 H 1 0.845 0.020 . 1 . . . . 67 ILE HD1 . 17637 1 493 . 1 1 45 45 ILE HD12 H 1 0.845 0.020 . 1 . . . . 67 ILE HD1 . 17637 1 494 . 1 1 45 45 ILE HD13 H 1 0.845 0.020 . 1 . . . . 67 ILE HD1 . 17637 1 495 . 1 1 45 45 ILE CA C 13 58.264 0.3 . 1 . . . . 67 ILE CA . 17637 1 496 . 1 1 45 45 ILE CB C 13 42.778 0.3 . 1 . . . . 67 ILE CB . 17637 1 497 . 1 1 45 45 ILE CG1 C 13 28.386 0.3 . 1 . . . . 67 ILE CG1 . 17637 1 498 . 1 1 45 45 ILE CG2 C 13 18.108 0.3 . 1 . . . . 67 ILE CG2 . 17637 1 499 . 1 1 45 45 ILE CD1 C 13 15.412 0.3 . 1 . . . . 67 ILE CD1 . 17637 1 500 . 1 1 45 45 ILE N N 15 120.972 0.3 . 1 . . . . 67 ILE N . 17637 1 501 . 1 1 46 46 LEU H H 1 7.885 0.020 . 1 . . . . 68 LEU H . 17637 1 502 . 1 1 46 46 LEU HA H 1 4.447 0.020 . 1 . . . . 68 LEU HA . 17637 1 503 . 1 1 46 46 LEU HB2 H 1 1.674 0.020 . 2 . . . . 68 LEU HB2 . 17637 1 504 . 1 1 46 46 LEU HB3 H 1 1.019 0.020 . 2 . . . . 68 LEU HB3 . 17637 1 505 . 1 1 46 46 LEU HG H 1 1.375 0.020 . 1 . . . . 68 LEU HG . 17637 1 506 . 1 1 46 46 LEU HD11 H 1 0.931 0.020 . 2 . . . . 68 LEU HD1 . 17637 1 507 . 1 1 46 46 LEU HD12 H 1 0.931 0.020 . 2 . . . . 68 LEU HD1 . 17637 1 508 . 1 1 46 46 LEU HD13 H 1 0.931 0.020 . 2 . . . . 68 LEU HD1 . 17637 1 509 . 1 1 46 46 LEU HD21 H 1 0.911 0.020 . 2 . . . . 68 LEU HD2 . 17637 1 510 . 1 1 46 46 LEU HD22 H 1 0.911 0.020 . 2 . . . . 68 LEU HD2 . 17637 1 511 . 1 1 46 46 LEU HD23 H 1 0.911 0.020 . 2 . . . . 68 LEU HD2 . 17637 1 512 . 1 1 46 46 LEU CA C 13 54.696 0.3 . 1 . . . . 68 LEU CA . 17637 1 513 . 1 1 46 46 LEU CB C 13 44.839 0.3 . 1 . . . . 68 LEU CB . 17637 1 514 . 1 1 46 46 LEU CG C 13 28.216 0.3 . 1 . . . . 68 LEU CG . 17637 1 515 . 1 1 46 46 LEU CD1 C 13 25.232 0.3 . 1 . . . . 68 LEU CD1 . 17637 1 516 . 1 1 46 46 LEU CD2 C 13 25.665 0.3 . 1 . . . . 68 LEU CD2 . 17637 1 517 . 1 1 46 46 LEU N N 15 127.839 0.3 . 1 . . . . 68 LEU N . 17637 1 518 . 1 1 47 47 GLU H H 1 8.685 0.020 . 1 . . . . 69 GLU H . 17637 1 519 . 1 1 47 47 GLU HA H 1 4.998 0.020 . 1 . . . . 69 GLU HA . 17637 1 520 . 1 1 47 47 GLU HB2 H 1 2.014 0.020 . 2 . . . . 69 GLU HB2 . 17637 1 521 . 1 1 47 47 GLU HB3 H 1 1.736 0.020 . 2 . . . . 69 GLU HB3 . 17637 1 522 . 1 1 47 47 GLU CA C 13 53.268 0.3 . 1 . . . . 69 GLU CA . 17637 1 523 . 1 1 47 47 GLU CB C 13 27.178 0.3 . 1 . . . . 69 GLU CB . 17637 1 524 . 1 1 47 47 GLU N N 15 126.808 0.3 . 1 . . . . 69 GLU N . 17637 1 525 . 1 1 48 48 LEU H H 1 9.747 0.020 . 1 . . . . 70 LEU H . 17637 1 526 . 1 1 48 48 LEU HA H 1 3.905 0.020 . 1 . . . . 70 LEU HA . 17637 1 527 . 1 1 48 48 LEU HB2 H 1 1.674 0.020 . 1 . . . . 70 LEU HB2 . 17637 1 528 . 1 1 48 48 LEU HB3 H 1 1.674 0.020 . 1 . . . . 70 LEU HB3 . 17637 1 529 . 1 1 48 48 LEU HD11 H 1 1.001 0.020 . 2 . . . . 70 LEU HD1 . 17637 1 530 . 1 1 48 48 LEU HD12 H 1 1.001 0.020 . 2 . . . . 70 LEU HD1 . 17637 1 531 . 1 1 48 48 LEU HD13 H 1 1.001 0.020 . 2 . . . . 70 LEU HD1 . 17637 1 532 . 1 1 48 48 LEU HD21 H 1 0.892 0.020 . 2 . . . . 70 LEU HD2 . 17637 1 533 . 1 1 48 48 LEU HD22 H 1 0.892 0.020 . 2 . . . . 70 LEU HD2 . 17637 1 534 . 1 1 48 48 LEU HD23 H 1 0.892 0.020 . 2 . . . . 70 LEU HD2 . 17637 1 535 . 1 1 48 48 LEU CA C 13 58.692 0.3 . 1 . . . . 70 LEU CA . 17637 1 536 . 1 1 48 48 LEU CB C 13 42.219 0.3 . 1 . . . . 70 LEU CB . 17637 1 537 . 1 1 48 48 LEU CD1 C 13 26.150 0.3 . 1 . . . . 70 LEU CD1 . 17637 1 538 . 1 1 48 48 LEU CD2 C 13 25.064 0.3 . 1 . . . . 70 LEU CD2 . 17637 1 539 . 1 1 48 48 LEU N N 15 127.487 0.3 . 1 . . . . 70 LEU N . 17637 1 540 . 1 1 49 49 ASP H H 1 9.661 0.020 . 1 . . . . 71 ASP H . 17637 1 541 . 1 1 49 49 ASP HA H 1 4.693 0.020 . 1 . . . . 71 ASP HA . 17637 1 542 . 1 1 49 49 ASP HB2 H 1 3.057 0.020 . 2 . . . . 71 ASP HB2 . 17637 1 543 . 1 1 49 49 ASP HB3 H 1 2.627 0.020 . 2 . . . . 71 ASP HB3 . 17637 1 544 . 1 1 49 49 ASP CA C 13 54.125 0.3 . 1 . . . . 71 ASP CA . 17637 1 545 . 1 1 49 49 ASP CB C 13 39.506 0.3 . 1 . . . . 71 ASP CB . 17637 1 546 . 1 1 49 49 ASP N N 15 112.278 0.3 . 1 . . . . 71 ASP N . 17637 1 547 . 1 1 50 50 GLN H H 1 7.708 0.020 . 1 . . . . 72 GLN H . 17637 1 548 . 1 1 50 50 GLN HA H 1 4.507 0.020 . 1 . . . . 72 GLN HA . 17637 1 549 . 1 1 50 50 GLN HB2 H 1 2.361 0.020 . 2 . . . . 72 GLN HB2 . 17637 1 550 . 1 1 50 50 GLN HB3 H 1 1.920 0.020 . 2 . . . . 72 GLN HB3 . 17637 1 551 . 1 1 50 50 GLN HG2 H 1 2.205 0.020 . 1 . . . . 72 GLN HG2 . 17637 1 552 . 1 1 50 50 GLN HG3 H 1 2.205 0.020 . 1 . . . . 72 GLN HG3 . 17637 1 553 . 1 1 50 50 GLN HE21 H 1 7.102 0.020 . 1 . . . . 72 GLN HE21 . 17637 1 554 . 1 1 50 50 GLN HE22 H 1 6.850 0.020 . 1 . . . . 72 GLN HE22 . 17637 1 555 . 1 1 50 50 GLN CA C 13 55.195 0.3 . 1 . . . . 72 GLN CA . 17637 1 556 . 1 1 50 50 GLN CB C 13 29.140 0.3 . 1 . . . . 72 GLN CB . 17637 1 557 . 1 1 50 50 GLN CG C 13 36.820 0.3 . 1 . . . . 72 GLN CG . 17637 1 558 . 1 1 50 50 GLN N N 15 117.725 0.3 . 1 . . . . 72 GLN N . 17637 1 559 . 1 1 50 50 GLN NE2 N 15 112.035 0.3 . 1 . . . . 72 GLN NE2 . 17637 1 560 . 1 1 51 51 VAL H H 1 7.030 0.020 . 1 . . . . 73 VAL H . 17637 1 561 . 1 1 51 51 VAL HA H 1 4.505 0.020 . 1 . . . . 73 VAL HA . 17637 1 562 . 1 1 51 51 VAL HB H 1 2.268 0.020 . 1 . . . . 73 VAL HB . 17637 1 563 . 1 1 51 51 VAL HG11 H 1 0.975 0.020 . 1 . . . . 73 VAL HG1 . 17637 1 564 . 1 1 51 51 VAL HG12 H 1 0.975 0.020 . 1 . . . . 73 VAL HG1 . 17637 1 565 . 1 1 51 51 VAL HG13 H 1 0.975 0.020 . 1 . . . . 73 VAL HG1 . 17637 1 566 . 1 1 51 51 VAL HG21 H 1 0.975 0.020 . 1 . . . . 73 VAL HG2 . 17637 1 567 . 1 1 51 51 VAL HG22 H 1 0.975 0.020 . 1 . . . . 73 VAL HG2 . 17637 1 568 . 1 1 51 51 VAL HG23 H 1 0.975 0.020 . 1 . . . . 73 VAL HG2 . 17637 1 569 . 1 1 51 51 VAL CA C 13 60.048 0.3 . 1 . . . . 73 VAL CA . 17637 1 570 . 1 1 51 51 VAL CB C 13 33.359 0.3 . 1 . . . . 73 VAL CB . 17637 1 571 . 1 1 51 51 VAL CG1 C 13 21.768 0.3 . 1 . . . . 73 VAL CG1 . 17637 1 572 . 1 1 51 51 VAL CG2 C 13 19.337 0.3 . 1 . . . . 73 VAL CG2 . 17637 1 573 . 1 1 51 51 VAL N N 15 114.605 0.3 . 1 . . . . 73 VAL N . 17637 1 574 . 1 1 52 52 ASP H H 1 8.587 0.020 . 1 . . . . 74 ASP H . 17637 1 575 . 1 1 52 52 ASP HA H 1 4.388 0.020 . 1 . . . . 74 ASP HA . 17637 1 576 . 1 1 52 52 ASP HB2 H 1 2.607 0.020 . 1 . . . . 74 ASP HB2 . 17637 1 577 . 1 1 52 52 ASP HB3 H 1 2.607 0.020 . 1 . . . . 74 ASP HB3 . 17637 1 578 . 1 1 52 52 ASP CA C 13 55.980 0.3 . 1 . . . . 74 ASP CA . 17637 1 579 . 1 1 52 52 ASP CB C 13 40.522 0.3 . 1 . . . . 74 ASP CB . 17637 1 580 . 1 1 52 52 ASP N N 15 124.290 0.3 . 1 . . . . 74 ASP N . 17637 1 581 . 1 1 53 53 ASP H H 1 8.620 0.020 . 1 . . . . 75 ASP H . 17637 1 582 . 1 1 53 53 ASP HA H 1 4.676 0.020 . 1 . . . . 75 ASP HA . 17637 1 583 . 1 1 53 53 ASP HB2 H 1 2.853 0.020 . 2 . . . . 75 ASP HB2 . 17637 1 584 . 1 1 53 53 ASP HB3 H 1 2.607 0.020 . 2 . . . . 75 ASP HB3 . 17637 1 585 . 1 1 53 53 ASP CA C 13 53.197 0.3 . 1 . . . . 75 ASP CA . 17637 1 586 . 1 1 53 53 ASP CB C 13 39.139 0.3 . 1 . . . . 75 ASP CB . 17637 1 587 . 1 1 53 53 ASP N N 15 119.450 0.3 . 1 . . . . 75 ASP N . 17637 1 588 . 1 1 54 54 GLY H H 1 8.080 0.020 . 1 . . . . 76 GLY H . 17637 1 589 . 1 1 54 54 GLY HA2 H 1 4.286 0.020 . 2 . . . . 76 GLY HA2 . 17637 1 590 . 1 1 54 54 GLY HA3 H 1 3.472 0.020 . 2 . . . . 76 GLY HA3 . 17637 1 591 . 1 1 54 54 GLY CA C 13 47.979 0.3 . 1 . . . . 76 GLY CA . 17637 1 592 . 1 1 54 54 GLY N N 15 108.190 0.3 . 1 . . . . 76 GLY N . 17637 1 593 . 1 1 55 55 ALA H H 1 8.700 0.020 . 1 . . . . 77 ALA H . 17637 1 594 . 1 1 55 55 ALA HA H 1 4.201 0.020 . 1 . . . . 77 ALA HA . 17637 1 595 . 1 1 55 55 ALA HB1 H 1 1.446 0.020 . 1 . . . . 77 ALA HB . 17637 1 596 . 1 1 55 55 ALA HB2 H 1 1.446 0.020 . 1 . . . . 77 ALA HB . 17637 1 597 . 1 1 55 55 ALA HB3 H 1 1.446 0.020 . 1 . . . . 77 ALA HB . 17637 1 598 . 1 1 55 55 ALA CA C 13 55.338 0.3 . 1 . . . . 77 ALA CA . 17637 1 599 . 1 1 55 55 ALA CB C 13 17.660 0.3 . 1 . . . . 77 ALA CB . 17637 1 600 . 1 1 55 55 ALA N N 15 124.360 0.3 . 1 . . . . 77 ALA N . 17637 1 601 . 1 1 56 56 SER H H 1 7.662 0.020 . 1 . . . . 78 SER H . 17637 1 602 . 1 1 56 56 SER HA H 1 4.201 0.020 . 1 . . . . 78 SER HA . 17637 1 603 . 1 1 56 56 SER HB2 H 1 3.867 0.020 . 2 . . . . 78 SER HB2 . 17637 1 604 . 1 1 56 56 SER HB3 H 1 3.695 0.020 . 2 . . . . 78 SER HB3 . 17637 1 605 . 1 1 56 56 SER CA C 13 61.877 0.3 . 1 . . . . 78 SER CA . 17637 1 606 . 1 1 56 56 SER CB C 13 62.599 0.3 . 1 . . . . 78 SER CB . 17637 1 607 . 1 1 56 56 SER N N 15 116.814 0.3 . 1 . . . . 78 SER N . 17637 1 608 . 1 1 57 57 VAL H H 1 7.974 0.020 . 1 . . . . 79 VAL H . 17637 1 609 . 1 1 57 57 VAL HA H 1 3.364 0.020 . 1 . . . . 79 VAL HA . 17637 1 610 . 1 1 57 57 VAL HB H 1 2.209 0.020 . 1 . . . . 79 VAL HB . 17637 1 611 . 1 1 57 57 VAL HG11 H 1 1.006 0.020 . 2 . . . . 79 VAL HG1 . 17637 1 612 . 1 1 57 57 VAL HG12 H 1 1.006 0.020 . 2 . . . . 79 VAL HG1 . 17637 1 613 . 1 1 57 57 VAL HG13 H 1 1.006 0.020 . 2 . . . . 79 VAL HG1 . 17637 1 614 . 1 1 57 57 VAL HG21 H 1 0.819 0.020 . 2 . . . . 79 VAL HG2 . 17637 1 615 . 1 1 57 57 VAL HG22 H 1 0.819 0.020 . 2 . . . . 79 VAL HG2 . 17637 1 616 . 1 1 57 57 VAL HG23 H 1 0.819 0.020 . 2 . . . . 79 VAL HG2 . 17637 1 617 . 1 1 57 57 VAL CA C 13 67.255 0.3 . 1 . . . . 79 VAL CA . 17637 1 618 . 1 1 57 57 VAL CB C 13 30.808 0.3 . 1 . . . . 79 VAL CB . 17637 1 619 . 1 1 57 57 VAL CG1 C 13 23.261 0.3 . 1 . . . . 79 VAL CG1 . 17637 1 620 . 1 1 57 57 VAL CG2 C 13 22.488 0.3 . 1 . . . . 79 VAL CG2 . 17637 1 621 . 1 1 57 57 VAL N N 15 122.130 0.3 . 1 . . . . 79 VAL N . 17637 1 622 . 1 1 58 58 GLN H H 1 8.274 0.020 . 1 . . . . 80 GLN H . 17637 1 623 . 1 1 58 58 GLN HA H 1 3.769 0.020 . 1 . . . . 80 GLN HA . 17637 1 624 . 1 1 58 58 GLN HB2 H 1 2.115 0.020 . 1 . . . . 80 GLN HB2 . 17637 1 625 . 1 1 58 58 GLN HB3 H 1 2.115 0.020 . 1 . . . . 80 GLN HB3 . 17637 1 626 . 1 1 58 58 GLN HG2 H 1 2.520 0.020 . 2 . . . . 80 GLN HG2 . 17637 1 627 . 1 1 58 58 GLN HG3 H 1 2.416 0.020 . 2 . . . . 80 GLN HG3 . 17637 1 628 . 1 1 58 58 GLN HE21 H 1 6.879 0.020 . 1 . . . . 80 GLN HE21 . 17637 1 629 . 1 1 58 58 GLN HE22 H 1 5.634 0.020 . 1 . . . . 80 GLN HE22 . 17637 1 630 . 1 1 58 58 GLN CA C 13 58.977 0.3 . 1 . . . . 80 GLN CA . 17637 1 631 . 1 1 58 58 GLN CB C 13 28.355 0.3 . 1 . . . . 80 GLN CB . 17637 1 632 . 1 1 58 58 GLN CG C 13 34.222 0.3 . 1 . . . . 80 GLN CG . 17637 1 633 . 1 1 58 58 GLN N N 15 118.474 0.3 . 1 . . . . 80 GLN N . 17637 1 634 . 1 1 58 58 GLN NE2 N 15 111.372 0.3 . 1 . . . . 80 GLN NE2 . 17637 1 635 . 1 1 59 59 GLU H H 1 7.750 0.020 . 1 . . . . 81 GLU H . 17637 1 636 . 1 1 59 59 GLU HA H 1 4.006 0.020 . 1 . . . . 81 GLU HA . 17637 1 637 . 1 1 59 59 GLU HB2 H 1 2.209 0.020 . 2 . . . . 81 GLU HB2 . 17637 1 638 . 1 1 59 59 GLU HB3 H 1 2.098 0.020 . 2 . . . . 81 GLU HB3 . 17637 1 639 . 1 1 59 59 GLU HG2 H 1 2.480 0.020 . 1 . . . . 81 GLU HG2 . 17637 1 640 . 1 1 59 59 GLU HG3 H 1 2.480 0.020 . 1 . . . . 81 GLU HG3 . 17637 1 641 . 1 1 59 59 GLU CA C 13 60.262 0.3 . 1 . . . . 81 GLU CA . 17637 1 642 . 1 1 59 59 GLU CB C 13 29.238 0.3 . 1 . . . . 81 GLU CB . 17637 1 643 . 1 1 59 59 GLU CG C 13 36.904 0.3 . 1 . . . . 81 GLU CG . 17637 1 644 . 1 1 59 59 GLU N N 15 120.400 0.3 . 1 . . . . 81 GLU N . 17637 1 645 . 1 1 60 60 VAL H H 1 7.842 0.020 . 1 . . . . 82 VAL H . 17637 1 646 . 1 1 60 60 VAL HA H 1 3.649 0.020 . 1 . . . . 82 VAL HA . 17637 1 647 . 1 1 60 60 VAL HB H 1 1.853 0.020 . 1 . . . . 82 VAL HB . 17637 1 648 . 1 1 60 60 VAL HG11 H 1 0.980 0.020 . 2 . . . . 82 VAL HG1 . 17637 1 649 . 1 1 60 60 VAL HG12 H 1 0.980 0.020 . 2 . . . . 82 VAL HG1 . 17637 1 650 . 1 1 60 60 VAL HG13 H 1 0.980 0.020 . 2 . . . . 82 VAL HG1 . 17637 1 651 . 1 1 60 60 VAL HG21 H 1 0.813 0.020 . 2 . . . . 82 VAL HG2 . 17637 1 652 . 1 1 60 60 VAL HG22 H 1 0.813 0.020 . 2 . . . . 82 VAL HG2 . 17637 1 653 . 1 1 60 60 VAL HG23 H 1 0.813 0.020 . 2 . . . . 82 VAL HG2 . 17637 1 654 . 1 1 60 60 VAL CA C 13 66.256 0.3 . 1 . . . . 82 VAL CA . 17637 1 655 . 1 1 60 60 VAL CB C 13 30.514 0.3 . 1 . . . . 82 VAL CB . 17637 1 656 . 1 1 60 60 VAL CG1 C 13 23.642 0.3 . 1 . . . . 82 VAL CG1 . 17637 1 657 . 1 1 60 60 VAL CG2 C 13 23.003 0.3 . 1 . . . . 82 VAL CG2 . 17637 1 658 . 1 1 60 60 VAL N N 15 120.803 0.3 . 1 . . . . 82 VAL N . 17637 1 659 . 1 1 61 61 LEU H H 1 8.647 0.020 . 1 . . . . 83 LEU H . 17637 1 660 . 1 1 61 61 LEU HA H 1 3.769 0.020 . 1 . . . . 83 LEU HA . 17637 1 661 . 1 1 61 61 LEU HB2 H 1 1.530 0.020 . 2 . . . . 83 LEU HB2 . 17637 1 662 . 1 1 61 61 LEU HB3 H 1 1.335 0.020 . 2 . . . . 83 LEU HB3 . 17637 1 663 . 1 1 61 61 LEU HG H 1 1.184 0.020 . 1 . . . . 83 LEU HG . 17637 1 664 . 1 1 61 61 LEU HD11 H 1 0.176 0.020 . 1 . . . . 83 LEU HD1 . 17637 1 665 . 1 1 61 61 LEU HD12 H 1 0.176 0.020 . 1 . . . . 83 LEU HD1 . 17637 1 666 . 1 1 61 61 LEU HD13 H 1 0.176 0.020 . 1 . . . . 83 LEU HD1 . 17637 1 667 . 1 1 61 61 LEU HD21 H 1 0.176 0.020 . 1 . . . . 83 LEU HD2 . 17637 1 668 . 1 1 61 61 LEU HD22 H 1 0.176 0.020 . 1 . . . . 83 LEU HD2 . 17637 1 669 . 1 1 61 61 LEU HD23 H 1 0.176 0.020 . 1 . . . . 83 LEU HD2 . 17637 1 670 . 1 1 61 61 LEU CA C 13 57.978 0.3 . 1 . . . . 83 LEU CA . 17637 1 671 . 1 1 61 61 LEU CB C 13 41.111 0.3 . 1 . . . . 83 LEU CB . 17637 1 672 . 1 1 61 61 LEU CG C 13 26.739 0.3 . 1 . . . . 83 LEU CG . 17637 1 673 . 1 1 61 61 LEU CD1 C 13 24.990 0.3 . 1 . . . . 83 LEU CD1 . 17637 1 674 . 1 1 61 61 LEU CD2 C 13 23.081 0.3 . 1 . . . . 83 LEU CD2 . 17637 1 675 . 1 1 61 61 LEU N N 15 122.686 0.3 . 1 . . . . 83 LEU N . 17637 1 676 . 1 1 62 62 THR H H 1 8.751 0.020 . 1 . . . . 84 THR H . 17637 1 677 . 1 1 62 62 THR HA H 1 3.820 0.020 . 1 . . . . 84 THR HA . 17637 1 678 . 1 1 62 62 THR HB H 1 4.210 0.020 . 1 . . . . 84 THR HB . 17637 1 679 . 1 1 62 62 THR HG21 H 1 1.011 0.020 . 1 . . . . 84 THR HG2 . 17637 1 680 . 1 1 62 62 THR HG22 H 1 1.011 0.020 . 1 . . . . 84 THR HG2 . 17637 1 681 . 1 1 62 62 THR HG23 H 1 1.011 0.020 . 1 . . . . 84 THR HG2 . 17637 1 682 . 1 1 62 62 THR CA C 13 67.041 0.3 . 1 . . . . 84 THR CA . 17637 1 683 . 1 1 62 62 THR CB C 13 68.290 0.3 . 1 . . . . 84 THR CB . 17637 1 684 . 1 1 62 62 THR CG2 C 13 23.003 0.3 . 1 . . . . 84 THR CG2 . 17637 1 685 . 1 1 62 62 THR N N 15 122.655 0.3 . 1 . . . . 84 THR N . 17637 1 686 . 1 1 63 63 GLU H H 1 7.573 0.020 . 1 . . . . 85 GLU H . 17637 1 687 . 1 1 63 63 GLU HA H 1 3.964 0.020 . 1 . . . . 85 GLU HA . 17637 1 688 . 1 1 63 63 GLU HB2 H 1 2.209 0.020 . 1 . . . . 85 GLU HB2 . 17637 1 689 . 1 1 63 63 GLU HB3 H 1 2.209 0.020 . 1 . . . . 85 GLU HB3 . 17637 1 690 . 1 1 63 63 GLU HG2 H 1 2.412 0.020 . 1 . . . . 85 GLU HG2 . 17637 1 691 . 1 1 63 63 GLU HG3 H 1 2.412 0.020 . 1 . . . . 85 GLU HG3 . 17637 1 692 . 1 1 63 63 GLU CA C 13 59.834 0.3 . 1 . . . . 85 GLU CA . 17637 1 693 . 1 1 63 63 GLU CB C 13 29.336 0.3 . 1 . . . . 85 GLU CB . 17637 1 694 . 1 1 63 63 GLU CG C 13 36.530 0.3 . 1 . . . . 85 GLU CG . 17637 1 695 . 1 1 63 63 GLU N N 15 124.100 0.3 . 1 . . . . 85 GLU N . 17637 1 696 . 1 1 64 64 ILE H H 1 8.084 0.020 . 1 . . . . 86 ILE H . 17637 1 697 . 1 1 64 64 ILE HA H 1 3.955 0.020 . 1 . . . . 86 ILE HA . 17637 1 698 . 1 1 64 64 ILE HB H 1 1.785 0.020 . 1 . . . . 86 ILE HB . 17637 1 699 . 1 1 64 64 ILE HG12 H 1 1.532 0.020 . 2 . . . . 86 ILE HG12 . 17637 1 700 . 1 1 64 64 ILE HG13 H 1 1.155 0.020 . 2 . . . . 86 ILE HG13 . 17637 1 701 . 1 1 64 64 ILE HG21 H 1 0.775 0.020 . 1 . . . . 86 ILE HG2 . 17637 1 702 . 1 1 64 64 ILE HG22 H 1 0.775 0.020 . 1 . . . . 86 ILE HG2 . 17637 1 703 . 1 1 64 64 ILE HG23 H 1 0.775 0.020 . 1 . . . . 86 ILE HG2 . 17637 1 704 . 1 1 64 64 ILE HD11 H 1 0.577 0.020 . 1 . . . . 86 ILE HD1 . 17637 1 705 . 1 1 64 64 ILE HD12 H 1 0.577 0.020 . 1 . . . . 86 ILE HD1 . 17637 1 706 . 1 1 64 64 ILE HD13 H 1 0.577 0.020 . 1 . . . . 86 ILE HD1 . 17637 1 707 . 1 1 64 64 ILE CA C 13 64.044 0.3 . 1 . . . . 86 ILE CA . 17637 1 708 . 1 1 64 64 ILE CB C 13 39.050 0.3 . 1 . . . . 86 ILE CB . 17637 1 709 . 1 1 64 64 ILE CG1 C 13 27.770 0.3 . 1 . . . . 86 ILE CG1 . 17637 1 710 . 1 1 64 64 ILE CG2 C 13 16.820 0.3 . 1 . . . . 86 ILE CG2 . 17637 1 711 . 1 1 64 64 ILE CD1 C 13 14.758 0.3 . 1 . . . . 86 ILE CD1 . 17637 1 712 . 1 1 64 64 ILE N N 15 113.756 0.3 . 1 . . . . 86 ILE N . 17637 1 713 . 1 1 65 65 SER H H 1 8.010 0.020 . 1 . . . . 87 SER H . 17637 1 714 . 1 1 65 65 SER HA H 1 4.388 0.020 . 1 . . . . 87 SER HA . 17637 1 715 . 1 1 65 65 SER HB2 H 1 3.404 0.020 . 2 . . . . 87 SER HB2 . 17637 1 716 . 1 1 65 65 SER HB3 H 1 2.946 0.020 . 2 . . . . 87 SER HB3 . 17637 1 717 . 1 1 65 65 SER CA C 13 58.835 0.3 . 1 . . . . 87 SER CA . 17637 1 718 . 1 1 65 65 SER CB C 13 67.309 0.3 . 1 . . . . 87 SER CB . 17637 1 719 . 1 1 65 65 SER N N 15 113.020 0.3 . 1 . . . . 87 SER N . 17637 1 720 . 1 1 66 66 ASN H H 1 8.436 0.020 . 1 . . . . 88 ASN H . 17637 1 721 . 1 1 66 66 ASN HA H 1 4.464 0.020 . 1 . . . . 88 ASN HA . 17637 1 722 . 1 1 66 66 ASN HB2 H 1 3.133 0.020 . 2 . . . . 88 ASN HB2 . 17637 1 723 . 1 1 66 66 ASN HB3 H 1 2.802 0.020 . 2 . . . . 88 ASN HB3 . 17637 1 724 . 1 1 66 66 ASN HD21 H 1 7.569 0.020 . 1 . . . . 88 ASN HD21 . 17637 1 725 . 1 1 66 66 ASN HD22 H 1 6.805 0.020 . 1 . . . . 88 ASN HD22 . 17637 1 726 . 1 1 66 66 ASN CA C 13 54.651 0.3 . 1 . . . . 88 ASN CA . 17637 1 727 . 1 1 66 66 ASN CB C 13 37.480 0.3 . 1 . . . . 88 ASN CB . 17637 1 728 . 1 1 66 66 ASN N N 15 120.152 0.3 . 1 . . . . 88 ASN N . 17637 1 729 . 1 1 66 66 ASN ND2 N 15 113.053 0.3 . 1 . . . . 88 ASN ND2 . 17637 1 730 . 1 1 67 67 GLN H H 1 7.286 0.020 . 1 . . . . 89 GLN H . 17637 1 731 . 1 1 67 67 GLN HA H 1 4.642 0.020 . 1 . . . . 89 GLN HA . 17637 1 732 . 1 1 67 67 GLN HB2 H 1 1.785 0.020 . 1 . . . . 89 GLN HB2 . 17637 1 733 . 1 1 67 67 GLN HB3 H 1 1.785 0.020 . 1 . . . . 89 GLN HB3 . 17637 1 734 . 1 1 67 67 GLN HG2 H 1 2.232 0.020 . 1 . . . . 89 GLN HG2 . 17637 1 735 . 1 1 67 67 GLN HG3 H 1 2.232 0.020 . 1 . . . . 89 GLN HG3 . 17637 1 736 . 1 1 67 67 GLN HE21 H 1 7.081 0.020 . 1 . . . . 89 GLN HE21 . 17637 1 737 . 1 1 67 67 GLN HE22 H 1 6.667 0.020 . 1 . . . . 89 GLN HE22 . 17637 1 738 . 1 1 67 67 GLN CA C 13 55.052 0.3 . 1 . . . . 89 GLN CA . 17637 1 739 . 1 1 67 67 GLN CB C 13 30.416 0.3 . 1 . . . . 89 GLN CB . 17637 1 740 . 1 1 67 67 GLN CG C 13 33.696 0.3 . 1 . . . . 89 GLN CG . 17637 1 741 . 1 1 67 67 GLN N N 15 118.690 0.3 . 1 . . . . 89 GLN N . 17637 1 742 . 1 1 67 67 GLN NE2 N 15 113.437 0.3 . 1 . . . . 89 GLN NE2 . 17637 1 743 . 1 1 69 69 THR H H 1 7.005 0.020 . 1 . . . . 91 THR H . 17637 1 744 . 1 1 69 69 THR HA H 1 4.571 0.020 . 1 . . . . 91 THR HA . 17637 1 745 . 1 1 69 69 THR HB H 1 4.376 0.020 . 1 . . . . 91 THR HB . 17637 1 746 . 1 1 69 69 THR HG21 H 1 1.169 0.020 . 1 . . . . 91 THR HG2 . 17637 1 747 . 1 1 69 69 THR HG22 H 1 1.169 0.020 . 1 . . . . 91 THR HG2 . 17637 1 748 . 1 1 69 69 THR HG23 H 1 1.169 0.020 . 1 . . . . 91 THR HG2 . 17637 1 749 . 1 1 69 69 THR CA C 13 60.209 0.3 . 1 . . . . 91 THR CA . 17637 1 750 . 1 1 69 69 THR CB C 13 71.430 0.3 . 1 . . . . 91 THR CB . 17637 1 751 . 1 1 69 69 THR CG2 C 13 21.961 0.3 . 1 . . . . 91 THR CG2 . 17637 1 752 . 1 1 69 69 THR N N 15 107.713 0.3 . 1 . . . . 91 THR N . 17637 1 753 . 1 1 70 70 VAL H H 1 8.549 0.020 . 1 . . . . 92 VAL H . 17637 1 754 . 1 1 70 70 VAL HA H 1 4.210 0.020 . 1 . . . . 92 VAL HA . 17637 1 755 . 1 1 70 70 VAL HB H 1 2.124 0.020 . 1 . . . . 92 VAL HB . 17637 1 756 . 1 1 70 70 VAL HG11 H 1 0.902 0.020 . 1 . . . . 92 VAL HG1 . 17637 1 757 . 1 1 70 70 VAL HG12 H 1 0.902 0.020 . 1 . . . . 92 VAL HG1 . 17637 1 758 . 1 1 70 70 VAL HG13 H 1 0.902 0.020 . 1 . . . . 92 VAL HG1 . 17637 1 759 . 1 1 70 70 VAL HG21 H 1 0.902 0.020 . 1 . . . . 92 VAL HG2 . 17637 1 760 . 1 1 70 70 VAL HG22 H 1 0.902 0.020 . 1 . . . . 92 VAL HG2 . 17637 1 761 . 1 1 70 70 VAL HG23 H 1 0.902 0.020 . 1 . . . . 92 VAL HG2 . 17637 1 762 . 1 1 70 70 VAL CA C 13 59.120 0.3 . 1 . . . . 92 VAL CA . 17637 1 763 . 1 1 70 70 VAL CB C 13 32.735 0.3 . 1 . . . . 92 VAL CB . 17637 1 764 . 1 1 70 70 VAL CG1 C 13 19.525 0.3 . 1 . . . . 92 VAL CG1 . 17637 1 765 . 1 1 70 70 VAL CG2 C 13 22.581 0.3 . 1 . . . . 92 VAL CG2 . 17637 1 766 . 1 1 70 70 VAL N N 15 118.391 0.3 . 1 . . . . 92 VAL N . 17637 1 767 . 1 1 71 71 PRO HA H 1 5.338 0.020 . 1 . . . . 93 PRO HA . 17637 1 768 . 1 1 71 71 PRO HB2 H 1 1.928 0.020 . 1 . . . . 93 PRO HB2 . 17637 1 769 . 1 1 71 71 PRO HB3 H 1 1.928 0.020 . 1 . . . . 93 PRO HB3 . 17637 1 770 . 1 1 71 71 PRO HG2 H 1 1.638 0.020 . 1 . . . . 93 PRO HG2 . 17637 1 771 . 1 1 71 71 PRO HG3 H 1 1.638 0.020 . 1 . . . . 93 PRO HG3 . 17637 1 772 . 1 1 71 71 PRO HD2 H 1 4.151 0.020 . 1 . . . . 93 PRO HD2 . 17637 1 773 . 1 1 71 71 PRO HD3 H 1 4.151 0.020 . 1 . . . . 93 PRO HD3 . 17637 1 774 . 1 1 71 71 PRO CA C 13 61.475 0.3 . 1 . . . . 93 PRO CA . 17637 1 775 . 1 1 71 71 PRO CB C 13 34.144 0.3 . 1 . . . . 93 PRO CB . 17637 1 776 . 1 1 71 71 PRO CG C 13 27.384 0.3 . 1 . . . . 93 PRO CG . 17637 1 777 . 1 1 71 71 PRO CD C 13 51.474 0.3 . 1 . . . . 93 PRO CD . 17637 1 778 . 1 1 72 72 ASN H H 1 8.976 0.020 . 1 . . . . 94 ASN H . 17637 1 779 . 1 1 72 72 ASN HA H 1 4.888 0.020 . 1 . . . . 94 ASN HA . 17637 1 780 . 1 1 72 72 ASN HB2 H 1 3.218 0.020 . 2 . . . . 94 ASN HB2 . 17637 1 781 . 1 1 72 72 ASN HB3 H 1 2.726 0.020 . 2 . . . . 94 ASN HB3 . 17637 1 782 . 1 1 72 72 ASN HD21 H 1 7.381 0.020 . 1 . . . . 94 ASN HD21 . 17637 1 783 . 1 1 72 72 ASN HD22 H 1 6.004 0.020 . 1 . . . . 94 ASN HD22 . 17637 1 784 . 1 1 72 72 ASN CA C 13 52.912 0.3 . 1 . . . . 94 ASN CA . 17637 1 785 . 1 1 72 72 ASN CB C 13 41.503 0.3 . 1 . . . . 94 ASN CB . 17637 1 786 . 1 1 72 72 ASN N N 15 122.768 0.3 . 1 . . . . 94 ASN N . 17637 1 787 . 1 1 72 72 ASN ND2 N 15 104.953 0.3 . 1 . . . . 94 ASN ND2 . 17637 1 788 . 1 1 73 73 ILE H H 1 8.778 0.020 . 1 . . . . 95 ILE H . 17637 1 789 . 1 1 73 73 ILE HA H 1 4.922 0.020 . 1 . . . . 95 ILE HA . 17637 1 790 . 1 1 73 73 ILE HB H 1 1.870 0.020 . 1 . . . . 95 ILE HB . 17637 1 791 . 1 1 73 73 ILE HG12 H 1 1.417 0.020 . 1 . . . . 95 ILE HG12 . 17637 1 792 . 1 1 73 73 ILE HG13 H 1 1.417 0.020 . 1 . . . . 95 ILE HG13 . 17637 1 793 . 1 1 73 73 ILE HG21 H 1 0.742 0.020 . 1 . . . . 95 ILE HG2 . 17637 1 794 . 1 1 73 73 ILE HG22 H 1 0.742 0.020 . 1 . . . . 95 ILE HG2 . 17637 1 795 . 1 1 73 73 ILE HG23 H 1 0.742 0.020 . 1 . . . . 95 ILE HG2 . 17637 1 796 . 1 1 73 73 ILE HD11 H 1 0.960 0.020 . 1 . . . . 95 ILE HD1 . 17637 1 797 . 1 1 73 73 ILE HD12 H 1 0.960 0.020 . 1 . . . . 95 ILE HD1 . 17637 1 798 . 1 1 73 73 ILE HD13 H 1 0.960 0.020 . 1 . . . . 95 ILE HD1 . 17637 1 799 . 1 1 73 73 ILE CA C 13 62.759 0.3 . 1 . . . . 95 ILE CA . 17637 1 800 . 1 1 73 73 ILE CB C 13 39.496 0.3 . 1 . . . . 95 ILE CB . 17637 1 801 . 1 1 73 73 ILE CG2 C 13 21.200 0.3 . 1 . . . . 95 ILE CG2 . 17637 1 802 . 1 1 73 73 ILE CD1 C 13 16.562 0.3 . 1 . . . . 95 ILE CD1 . 17637 1 803 . 1 1 73 73 ILE N N 15 128.309 0.3 . 1 . . . . 95 ILE N . 17637 1 804 . 1 1 74 74 PHE H H 1 8.989 0.020 . 1 . . . . 96 PHE H . 17637 1 805 . 1 1 74 74 PHE HA H 1 5.346 0.020 . 1 . . . . 96 PHE HA . 17637 1 806 . 1 1 74 74 PHE HB2 H 1 2.989 0.020 . 2 . . . . 96 PHE HB2 . 17637 1 807 . 1 1 74 74 PHE HB3 H 1 2.726 0.020 . 2 . . . . 96 PHE HB3 . 17637 1 808 . 1 1 74 74 PHE HD1 H 1 7.217 0.020 . 1 . . . . 96 PHE HD1 . 17637 1 809 . 1 1 74 74 PHE HD2 H 1 7.217 0.020 . 1 . . . . 96 PHE HD2 . 17637 1 810 . 1 1 74 74 PHE CA C 13 56.266 0.3 . 1 . . . . 96 PHE CA . 17637 1 811 . 1 1 74 74 PHE CB C 13 42.877 0.3 . 1 . . . . 96 PHE CB . 17637 1 812 . 1 1 74 74 PHE N N 15 127.600 0.3 . 1 . . . . 96 PHE N . 17637 1 813 . 1 1 75 75 VAL H H 1 8.965 0.020 . 1 . . . . 97 VAL H . 17637 1 814 . 1 1 75 75 VAL HA H 1 5.046 0.020 . 1 . . . . 97 VAL HA . 17637 1 815 . 1 1 75 75 VAL HB H 1 1.800 0.020 . 1 . . . . 97 VAL HB . 17637 1 816 . 1 1 75 75 VAL HG11 H 1 0.864 0.020 . 2 . . . . 97 VAL HG1 . 17637 1 817 . 1 1 75 75 VAL HG12 H 1 0.864 0.020 . 2 . . . . 97 VAL HG1 . 17637 1 818 . 1 1 75 75 VAL HG13 H 1 0.864 0.020 . 2 . . . . 97 VAL HG1 . 17637 1 819 . 1 1 75 75 VAL HG21 H 1 0.817 0.020 . 2 . . . . 97 VAL HG2 . 17637 1 820 . 1 1 75 75 VAL HG22 H 1 0.817 0.020 . 2 . . . . 97 VAL HG2 . 17637 1 821 . 1 1 75 75 VAL HG23 H 1 0.817 0.020 . 2 . . . . 97 VAL HG2 . 17637 1 822 . 1 1 75 75 VAL CA C 13 60.190 0.3 . 1 . . . . 97 VAL CA . 17637 1 823 . 1 1 75 75 VAL CB C 13 34.144 0.3 . 1 . . . . 97 VAL CB . 17637 1 824 . 1 1 75 75 VAL CG1 C 13 22.220 0.3 . 1 . . . . 97 VAL CG1 . 17637 1 825 . 1 1 75 75 VAL CG2 C 13 22.005 0.3 . 1 . . . . 97 VAL CG2 . 17637 1 826 . 1 1 75 75 VAL N N 15 120.992 0.3 . 1 . . . . 97 VAL N . 17637 1 827 . 1 1 76 76 ASN H H 1 10.640 0.020 . 1 . . . . 98 ASN H . 17637 1 828 . 1 1 76 76 ASN HA H 1 4.481 0.020 . 1 . . . . 98 ASN HA . 17637 1 829 . 1 1 76 76 ASN HB2 H 1 2.455 0.020 . 1 . . . . 98 ASN HB2 . 17637 1 830 . 1 1 76 76 ASN HB3 H 1 2.455 0.020 . 1 . . . . 98 ASN HB3 . 17637 1 831 . 1 1 76 76 ASN HD21 H 1 7.671 0.020 . 1 . . . . 98 ASN HD21 . 17637 1 832 . 1 1 76 76 ASN HD22 H 1 6.877 0.020 . 1 . . . . 98 ASN HD22 . 17637 1 833 . 1 1 76 76 ASN CA C 13 53.911 0.3 . 1 . . . . 98 ASN CA . 17637 1 834 . 1 1 76 76 ASN CB C 13 37.579 0.3 . 1 . . . . 98 ASN CB . 17637 1 835 . 1 1 76 76 ASN N N 15 128.230 0.3 . 1 . . . . 98 ASN N . 17637 1 836 . 1 1 76 76 ASN ND2 N 15 112.611 0.3 . 1 . . . . 98 ASN ND2 . 17637 1 837 . 1 1 77 77 LYS H H 1 9.145 0.020 . 1 . . . . 99 LYS H . 17637 1 838 . 1 1 77 77 LYS HA H 1 3.430 0.020 . 1 . . . . 99 LYS HA . 17637 1 839 . 1 1 77 77 LYS HB2 H 1 2.370 0.020 . 2 . . . . 99 LYS HB2 . 17637 1 840 . 1 1 77 77 LYS HB3 H 1 1.972 0.020 . 2 . . . . 99 LYS HB3 . 17637 1 841 . 1 1 77 77 LYS HG2 H 1 1.377 0.020 . 1 . . . . 99 LYS HG2 . 17637 1 842 . 1 1 77 77 LYS HG3 H 1 1.377 0.020 . 1 . . . . 99 LYS HG3 . 17637 1 843 . 1 1 77 77 LYS HD2 H 1 1.763 0.020 . 1 . . . . 99 LYS HD2 . 17637 1 844 . 1 1 77 77 LYS HD3 H 1 1.763 0.020 . 1 . . . . 99 LYS HD3 . 17637 1 845 . 1 1 77 77 LYS HE2 H 1 2.956 0.020 . 1 . . . . 99 LYS HE2 . 17637 1 846 . 1 1 77 77 LYS HE3 H 1 2.956 0.020 . 1 . . . . 99 LYS HE3 . 17637 1 847 . 1 1 77 77 LYS CA C 13 59.069 0.3 . 1 . . . . 99 LYS CA . 17637 1 848 . 1 1 77 77 LYS CB C 13 30.086 0.3 . 1 . . . . 99 LYS CB . 17637 1 849 . 1 1 77 77 LYS CG C 13 25.610 0.3 . 1 . . . . 99 LYS CG . 17637 1 850 . 1 1 77 77 LYS CD C 13 29.459 0.3 . 1 . . . . 99 LYS CD . 17637 1 851 . 1 1 77 77 LYS CE C 13 41.941 0.3 . 1 . . . . 99 LYS CE . 17637 1 852 . 1 1 77 77 LYS N N 15 106.770 0.3 . 1 . . . . 99 LYS N . 17637 1 853 . 1 1 78 78 VAL H H 1 8.430 0.020 . 1 . . . . 100 VAL H . 17637 1 854 . 1 1 78 78 VAL HA H 1 4.059 0.020 . 1 . . . . 100 VAL HA . 17637 1 855 . 1 1 78 78 VAL HB H 1 2.453 0.020 . 1 . . . . 100 VAL HB . 17637 1 856 . 1 1 78 78 VAL HG11 H 1 0.998 0.020 . 2 . . . . 100 VAL HG1 . 17637 1 857 . 1 1 78 78 VAL HG12 H 1 0.998 0.020 . 2 . . . . 100 VAL HG1 . 17637 1 858 . 1 1 78 78 VAL HG13 H 1 0.998 0.020 . 2 . . . . 100 VAL HG1 . 17637 1 859 . 1 1 78 78 VAL HG21 H 1 0.838 0.020 . 2 . . . . 100 VAL HG2 . 17637 1 860 . 1 1 78 78 VAL HG22 H 1 0.838 0.020 . 2 . . . . 100 VAL HG2 . 17637 1 861 . 1 1 78 78 VAL HG23 H 1 0.838 0.020 . 2 . . . . 100 VAL HG2 . 17637 1 862 . 1 1 78 78 VAL CA C 13 62.474 0.3 . 1 . . . . 100 VAL CA . 17637 1 863 . 1 1 78 78 VAL CB C 13 32.147 0.3 . 1 . . . . 100 VAL CB . 17637 1 864 . 1 1 78 78 VAL CG1 C 13 22.007 0.3 . 1 . . . . 100 VAL CG1 . 17637 1 865 . 1 1 78 78 VAL CG2 C 13 21.200 0.3 . 1 . . . . 100 VAL CG2 . 17637 1 866 . 1 1 78 78 VAL N N 15 124.990 0.3 . 1 . . . . 100 VAL N . 17637 1 867 . 1 1 79 79 HIS H H 1 8.945 0.020 . 1 . . . . 101 HIS H . 17637 1 868 . 1 1 79 79 HIS HA H 1 3.752 0.020 . 1 . . . . 101 HIS HA . 17637 1 869 . 1 1 79 79 HIS HB2 H 1 3.023 0.020 . 2 . . . . 101 HIS HB2 . 17637 1 870 . 1 1 79 79 HIS HB3 H 1 2.845 0.020 . 2 . . . . 101 HIS HB3 . 17637 1 871 . 1 1 79 79 HIS HD2 H 1 7.217 0.020 . 1 . . . . 101 HIS HD2 . 17637 1 872 . 1 1 79 79 HIS CA C 13 56.694 0.3 . 1 . . . . 101 HIS CA . 17637 1 873 . 1 1 79 79 HIS CB C 13 30.121 0.3 . 1 . . . . 101 HIS CB . 17637 1 874 . 1 1 79 79 HIS N N 15 127.189 0.3 . 1 . . . . 101 HIS N . 17637 1 875 . 1 1 80 80 VAL H H 1 8.424 0.020 . 1 . . . . 102 VAL H . 17637 1 876 . 1 1 80 80 VAL HA H 1 3.636 0.020 . 1 . . . . 102 VAL HA . 17637 1 877 . 1 1 80 80 VAL HB H 1 1.573 0.020 . 1 . . . . 102 VAL HB . 17637 1 878 . 1 1 80 80 VAL HG11 H 1 0.760 0.020 . 2 . . . . 102 VAL HG1 . 17637 1 879 . 1 1 80 80 VAL HG12 H 1 0.760 0.020 . 2 . . . . 102 VAL HG1 . 17637 1 880 . 1 1 80 80 VAL HG13 H 1 0.760 0.020 . 2 . . . . 102 VAL HG1 . 17637 1 881 . 1 1 80 80 VAL HG21 H 1 0.622 0.020 . 2 . . . . 102 VAL HG2 . 17637 1 882 . 1 1 80 80 VAL HG22 H 1 0.622 0.020 . 2 . . . . 102 VAL HG2 . 17637 1 883 . 1 1 80 80 VAL HG23 H 1 0.622 0.020 . 2 . . . . 102 VAL HG2 . 17637 1 884 . 1 1 80 80 VAL CA C 13 64.071 0.3 . 1 . . . . 102 VAL CA . 17637 1 885 . 1 1 80 80 VAL CB C 13 31.888 0.3 . 1 . . . . 102 VAL CB . 17637 1 886 . 1 1 80 80 VAL CG1 C 13 23.170 0.3 . 1 . . . . 102 VAL CG1 . 17637 1 887 . 1 1 80 80 VAL CG2 C 13 22.137 0.3 . 1 . . . . 102 VAL CG2 . 17637 1 888 . 1 1 80 80 VAL N N 15 132.530 0.3 . 1 . . . . 102 VAL N . 17637 1 889 . 1 1 81 81 GLY H H 1 6.609 0.020 . 1 . . . . 103 GLY H . 17637 1 890 . 1 1 81 81 GLY HA2 H 1 4.159 0.020 . 2 . . . . 103 GLY HA2 . 17637 1 891 . 1 1 81 81 GLY HA3 H 1 3.489 0.020 . 2 . . . . 103 GLY HA3 . 17637 1 892 . 1 1 81 81 GLY CA C 13 44.348 0.3 . 1 . . . . 103 GLY CA . 17637 1 893 . 1 1 81 81 GLY N N 15 103.045 0.3 . 1 . . . . 103 GLY N . 17637 1 894 . 1 1 82 82 GLY H H 1 7.703 0.020 . 1 . . . . 104 GLY H . 17637 1 895 . 1 1 82 82 GLY HA2 H 1 4.753 0.020 . 2 . . . . 104 GLY HA2 . 17637 1 896 . 1 1 82 82 GLY HA3 H 1 3.744 0.020 . 2 . . . . 104 GLY HA3 . 17637 1 897 . 1 1 82 82 GLY CA C 13 43.635 0.3 . 1 . . . . 104 GLY CA . 17637 1 898 . 1 1 82 82 GLY N N 15 108.047 0.3 . 1 . . . . 104 GLY N . 17637 1 899 . 1 1 83 83 CYS H H 1 9.020 0.020 . 1 . . . . 105 CYS H . 17637 1 900 . 1 1 83 83 CYS HA H 1 4.558 0.020 . 1 . . . . 105 CYS HA . 17637 1 901 . 1 1 83 83 CYS CA C 13 62.811 0.3 . 1 . . . . 105 CYS CA . 17637 1 902 . 1 1 83 83 CYS CB C 13 26.491 0.3 . 1 . . . . 105 CYS CB . 17637 1 903 . 1 1 83 83 CYS N N 15 122.177 0.3 . 1 . . . . 105 CYS N . 17637 1 904 . 1 1 84 84 ASP H H 1 8.681 0.020 . 1 . . . . 106 ASP H . 17637 1 905 . 1 1 84 84 ASP HA H 1 4.381 0.020 . 1 . . . . 106 ASP HA . 17637 1 906 . 1 1 84 84 ASP HB2 H 1 2.633 0.020 . 1 . . . . 106 ASP HB2 . 17637 1 907 . 1 1 84 84 ASP HB3 H 1 2.633 0.020 . 1 . . . . 106 ASP HB3 . 17637 1 908 . 1 1 84 84 ASP CA C 13 57.835 0.3 . 1 . . . . 106 ASP CA . 17637 1 909 . 1 1 84 84 ASP CB C 13 38.854 0.3 . 1 . . . . 106 ASP CB . 17637 1 910 . 1 1 84 84 ASP N N 15 119.489 0.3 . 1 . . . . 106 ASP N . 17637 1 911 . 1 1 85 85 ARG H H 1 8.533 0.020 . 1 . . . . 107 ARG H . 17637 1 912 . 1 1 85 85 ARG HA H 1 3.955 0.020 . 1 . . . . 107 ARG HA . 17637 1 913 . 1 1 85 85 ARG HB2 H 1 1.787 0.020 . 1 . . . . 107 ARG HB2 . 17637 1 914 . 1 1 85 85 ARG HB3 H 1 1.787 0.020 . 1 . . . . 107 ARG HB3 . 17637 1 915 . 1 1 85 85 ARG HG2 H 1 1.702 0.020 . 1 . . . . 107 ARG HG2 . 17637 1 916 . 1 1 85 85 ARG HG3 H 1 1.702 0.020 . 1 . . . . 107 ARG HG3 . 17637 1 917 . 1 1 85 85 ARG HD2 H 1 3.242 0.020 . 1 . . . . 107 ARG HD2 . 17637 1 918 . 1 1 85 85 ARG HD3 H 1 3.242 0.020 . 1 . . . . 107 ARG HD3 . 17637 1 919 . 1 1 85 85 ARG CA C 13 58.906 0.3 . 1 . . . . 107 ARG CA . 17637 1 920 . 1 1 85 85 ARG CB C 13 30.086 0.3 . 1 . . . . 107 ARG CB . 17637 1 921 . 1 1 85 85 ARG CG C 13 28.285 0.3 . 1 . . . . 107 ARG CG . 17637 1 922 . 1 1 85 85 ARG CD C 13 43.183 0.3 . 1 . . . . 107 ARG CD . 17637 1 923 . 1 1 85 85 ARG N N 15 120.729 0.3 . 1 . . . . 107 ARG N . 17637 1 924 . 1 1 86 86 THR H H 1 8.107 0.020 . 1 . . . . 108 THR H . 17637 1 925 . 1 1 86 86 THR HA H 1 3.603 0.020 . 1 . . . . 108 THR HA . 17637 1 926 . 1 1 86 86 THR HB H 1 4.079 0.020 . 1 . . . . 108 THR HB . 17637 1 927 . 1 1 86 86 THR HG21 H 1 0.747 0.020 . 1 . . . . 108 THR HG2 . 17637 1 928 . 1 1 86 86 THR HG22 H 1 0.747 0.020 . 1 . . . . 108 THR HG2 . 17637 1 929 . 1 1 86 86 THR HG23 H 1 0.747 0.020 . 1 . . . . 108 THR HG2 . 17637 1 930 . 1 1 86 86 THR CA C 13 68.486 0.3 . 1 . . . . 108 THR CA . 17637 1 931 . 1 1 86 86 THR CB C 13 67.113 0.3 . 1 . . . . 108 THR CB . 17637 1 932 . 1 1 86 86 THR CG2 C 13 21.776 0.3 . 1 . . . . 108 THR CG2 . 17637 1 933 . 1 1 86 86 THR N N 15 119.857 0.3 . 1 . . . . 108 THR N . 17637 1 934 . 1 1 87 87 PHE H H 1 8.315 0.020 . 1 . . . . 109 PHE H . 17637 1 935 . 1 1 87 87 PHE HA H 1 3.894 0.020 . 1 . . . . 109 PHE HA . 17637 1 936 . 1 1 87 87 PHE HB2 H 1 3.045 0.020 . 1 . . . . 109 PHE HB2 . 17637 1 937 . 1 1 87 87 PHE HB3 H 1 3.045 0.020 . 1 . . . . 109 PHE HB3 . 17637 1 938 . 1 1 87 87 PHE CA C 13 64.091 0.3 . 1 . . . . 109 PHE CA . 17637 1 939 . 1 1 87 87 PHE CB C 13 38.331 0.3 . 1 . . . . 109 PHE CB . 17637 1 940 . 1 1 87 87 PHE N N 15 121.141 0.3 . 1 . . . . 109 PHE N . 17637 1 941 . 1 1 88 88 GLN H H 1 8.372 0.020 . 1 . . . . 110 GLN H . 17637 1 942 . 1 1 88 88 GLN HA H 1 4.059 0.020 . 1 . . . . 110 GLN HA . 17637 1 943 . 1 1 88 88 GLN HB2 H 1 2.098 0.020 . 1 . . . . 110 GLN HB2 . 17637 1 944 . 1 1 88 88 GLN HB3 H 1 2.098 0.020 . 1 . . . . 110 GLN HB3 . 17637 1 945 . 1 1 88 88 GLN HG2 H 1 2.484 0.020 . 2 . . . . 110 GLN HG2 . 17637 1 946 . 1 1 88 88 GLN HG3 H 1 2.330 0.020 . 2 . . . . 110 GLN HG3 . 17637 1 947 . 1 1 88 88 GLN HE21 H 1 7.485 0.020 . 1 . . . . 110 GLN HE21 . 17637 1 948 . 1 1 88 88 GLN HE22 H 1 6.826 0.020 . 1 . . . . 110 GLN HE22 . 17637 1 949 . 1 1 88 88 GLN CA C 13 59.405 0.3 . 1 . . . . 110 GLN CA . 17637 1 950 . 1 1 88 88 GLN CB C 13 27.546 0.3 . 1 . . . . 110 GLN CB . 17637 1 951 . 1 1 88 88 GLN CG C 13 34.211 0.3 . 1 . . . . 110 GLN CG . 17637 1 952 . 1 1 88 88 GLN N N 15 121.419 0.3 . 1 . . . . 110 GLN N . 17637 1 953 . 1 1 88 88 GLN NE2 N 15 111.709 0.3 . 1 . . . . 110 GLN NE2 . 17637 1 954 . 1 1 89 89 ALA H H 1 8.051 0.020 . 1 . . . . 111 ALA H . 17637 1 955 . 1 1 89 89 ALA HA H 1 4.490 0.020 . 1 . . . . 111 ALA HA . 17637 1 956 . 1 1 89 89 ALA HB1 H 1 1.448 0.020 . 1 . . . . 111 ALA HB . 17637 1 957 . 1 1 89 89 ALA HB2 H 1 1.448 0.020 . 1 . . . . 111 ALA HB . 17637 1 958 . 1 1 89 89 ALA HB3 H 1 1.448 0.020 . 1 . . . . 111 ALA HB . 17637 1 959 . 1 1 89 89 ALA CA C 13 53.752 0.3 . 1 . . . . 111 ALA CA . 17637 1 960 . 1 1 89 89 ALA CB C 13 16.777 0.3 . 1 . . . . 111 ALA CB . 17637 1 961 . 1 1 89 89 ALA N N 15 121.892 0.3 . 1 . . . . 111 ALA N . 17637 1 962 . 1 1 90 90 HIS H H 1 8.270 0.020 . 1 . . . . 112 HIS H . 17637 1 963 . 1 1 90 90 HIS HA H 1 4.400 0.020 . 1 . . . . 112 HIS HA . 17637 1 964 . 1 1 90 90 HIS HB2 H 1 3.311 0.020 . 2 . . . . 112 HIS HB2 . 17637 1 965 . 1 1 90 90 HIS HB3 H 1 2.748 0.020 . 2 . . . . 112 HIS HB3 . 17637 1 966 . 1 1 90 90 HIS HD2 H 1 7.294 0.020 . 1 . . . . 112 HIS HD2 . 17637 1 967 . 1 1 90 90 HIS CA C 13 59.049 0.3 . 1 . . . . 112 HIS CA . 17637 1 968 . 1 1 90 90 HIS CB C 13 31.104 0.3 . 1 . . . . 112 HIS CB . 17637 1 969 . 1 1 90 90 HIS N N 15 121.570 0.3 . 1 . . . . 112 HIS N . 17637 1 970 . 1 1 91 91 GLN H H 1 8.023 0.020 . 1 . . . . 113 GLN H . 17637 1 971 . 1 1 91 91 GLN HA H 1 3.771 0.020 . 1 . . . . 113 GLN HA . 17637 1 972 . 1 1 91 91 GLN HB2 H 1 2.150 0.020 . 1 . . . . 113 GLN HB2 . 17637 1 973 . 1 1 91 91 GLN HB3 H 1 2.150 0.020 . 1 . . . . 113 GLN HB3 . 17637 1 974 . 1 1 91 91 GLN HG2 H 1 2.262 0.020 . 1 . . . . 113 GLN HG2 . 17637 1 975 . 1 1 91 91 GLN HG3 H 1 2.262 0.020 . 1 . . . . 113 GLN HG3 . 17637 1 976 . 1 1 91 91 GLN HE21 H 1 7.509 0.020 . 1 . . . . 113 GLN HE21 . 17637 1 977 . 1 1 91 91 GLN HE22 H 1 6.841 0.020 . 1 . . . . 113 GLN HE22 . 17637 1 978 . 1 1 91 91 GLN CA C 13 58.763 0.3 . 1 . . . . 113 GLN CA . 17637 1 979 . 1 1 91 91 GLN CB C 13 28.355 0.3 . 1 . . . . 113 GLN CB . 17637 1 980 . 1 1 91 91 GLN CG C 13 34.124 0.3 . 1 . . . . 113 GLN CG . 17637 1 981 . 1 1 91 91 GLN N N 15 119.399 0.3 . 1 . . . . 113 GLN N . 17637 1 982 . 1 1 91 91 GLN NE2 N 15 112.310 0.3 . 1 . . . . 113 GLN NE2 . 17637 1 983 . 1 1 92 92 ASN H H 1 8.242 0.020 . 1 . . . . 114 ASN H . 17637 1 984 . 1 1 92 92 ASN HA H 1 4.682 0.020 . 1 . . . . 114 ASN HA . 17637 1 985 . 1 1 92 92 ASN HB2 H 1 3.126 0.020 . 2 . . . . 114 ASN HB2 . 17637 1 986 . 1 1 92 92 ASN HB3 H 1 2.741 0.020 . 2 . . . . 114 ASN HB3 . 17637 1 987 . 1 1 92 92 ASN HD21 H 1 7.225 0.020 . 1 . . . . 114 ASN HD21 . 17637 1 988 . 1 1 92 92 ASN HD22 H 1 6.709 0.020 . 1 . . . . 114 ASN HD22 . 17637 1 989 . 1 1 92 92 ASN CA C 13 52.689 0.3 . 1 . . . . 114 ASN CA . 17637 1 990 . 1 1 92 92 ASN CB C 13 38.069 0.3 . 1 . . . . 114 ASN CB . 17637 1 991 . 1 1 92 92 ASN N N 15 114.618 0.3 . 1 . . . . 114 ASN N . 17637 1 992 . 1 1 92 92 ASN ND2 N 15 108.633 0.3 . 1 . . . . 114 ASN ND2 . 17637 1 993 . 1 1 93 93 GLY H H 1 7.223 0.020 . 1 . . . . 115 GLY H . 17637 1 994 . 1 1 93 93 GLY HA2 H 1 4.335 0.020 . 2 . . . . 115 GLY HA2 . 17637 1 995 . 1 1 93 93 GLY HA3 H 1 3.909 0.020 . 2 . . . . 115 GLY HA3 . 17637 1 996 . 1 1 93 93 GLY CA C 13 45.547 0.3 . 1 . . . . 115 GLY CA . 17637 1 997 . 1 1 93 93 GLY N N 15 107.729 0.3 . 1 . . . . 115 GLY N . 17637 1 998 . 1 1 94 94 LEU H H 1 8.646 0.020 . 1 . . . . 116 LEU H . 17637 1 999 . 1 1 94 94 LEU HA H 1 4.180 0.020 . 1 . . . . 116 LEU HA . 17637 1 1000 . 1 1 94 94 LEU HB2 H 1 1.742 0.020 . 1 . . . . 116 LEU HB2 . 17637 1 1001 . 1 1 94 94 LEU HB3 H 1 1.742 0.020 . 1 . . . . 116 LEU HB3 . 17637 1 1002 . 1 1 94 94 LEU HG H 1 1.443 0.020 . 1 . . . . 116 LEU HG . 17637 1 1003 . 1 1 94 94 LEU HD11 H 1 0.948 0.020 . 2 . . . . 116 LEU HD1 . 17637 1 1004 . 1 1 94 94 LEU HD12 H 1 0.948 0.020 . 2 . . . . 116 LEU HD1 . 17637 1 1005 . 1 1 94 94 LEU HD13 H 1 0.948 0.020 . 2 . . . . 116 LEU HD1 . 17637 1 1006 . 1 1 94 94 LEU HD21 H 1 0.901 0.020 . 2 . . . . 116 LEU HD2 . 17637 1 1007 . 1 1 94 94 LEU HD22 H 1 0.901 0.020 . 2 . . . . 116 LEU HD2 . 17637 1 1008 . 1 1 94 94 LEU HD23 H 1 0.901 0.020 . 2 . . . . 116 LEU HD2 . 17637 1 1009 . 1 1 94 94 LEU CA C 13 57.764 0.3 . 1 . . . . 116 LEU CA . 17637 1 1010 . 1 1 94 94 LEU CB C 13 41.494 0.3 . 1 . . . . 116 LEU CB . 17637 1 1011 . 1 1 94 94 LEU CG C 13 27.671 0.3 . 1 . . . . 116 LEU CG . 17637 1 1012 . 1 1 94 94 LEU CD1 C 13 23.269 0.3 . 1 . . . . 116 LEU CD1 . 17637 1 1013 . 1 1 94 94 LEU CD2 C 13 25.069 0.3 . 1 . . . . 116 LEU CD2 . 17637 1 1014 . 1 1 94 94 LEU N N 15 125.476 0.3 . 1 . . . . 116 LEU N . 17637 1 1015 . 1 1 95 95 LEU H H 1 7.830 0.020 . 1 . . . . 117 LEU H . 17637 1 1016 . 1 1 95 95 LEU HA H 1 3.855 0.020 . 1 . . . . 117 LEU HA . 17637 1 1017 . 1 1 95 95 LEU HB2 H 1 1.895 0.020 . 2 . . . . 117 LEU HB2 . 17637 1 1018 . 1 1 95 95 LEU HB3 H 1 1.098 0.020 . 2 . . . . 117 LEU HB3 . 17637 1 1019 . 1 1 95 95 LEU HG H 1 1.586 0.020 . 1 . . . . 117 LEU HG . 17637 1 1020 . 1 1 95 95 LEU HD11 H 1 0.938 0.020 . 2 . . . . 117 LEU HD1 . 17637 1 1021 . 1 1 95 95 LEU HD12 H 1 0.938 0.020 . 2 . . . . 117 LEU HD1 . 17637 1 1022 . 1 1 95 95 LEU HD13 H 1 0.938 0.020 . 2 . . . . 117 LEU HD1 . 17637 1 1023 . 1 1 95 95 LEU HD21 H 1 0.608 0.020 . 2 . . . . 117 LEU HD2 . 17637 1 1024 . 1 1 95 95 LEU HD22 H 1 0.608 0.020 . 2 . . . . 117 LEU HD2 . 17637 1 1025 . 1 1 95 95 LEU HD23 H 1 0.608 0.020 . 2 . . . . 117 LEU HD2 . 17637 1 1026 . 1 1 95 95 LEU CA C 13 58.088 0.3 . 1 . . . . 117 LEU CA . 17637 1 1027 . 1 1 95 95 LEU CB C 13 41.013 0.3 . 1 . . . . 117 LEU CB . 17637 1 1028 . 1 1 95 95 LEU CG C 13 27.020 0.3 . 1 . . . . 117 LEU CG . 17637 1 1029 . 1 1 95 95 LEU CD1 C 13 24.019 0.3 . 1 . . . . 117 LEU CD1 . 17637 1 1030 . 1 1 95 95 LEU CD2 C 13 25.706 0.3 . 1 . . . . 117 LEU CD2 . 17637 1 1031 . 1 1 95 95 LEU N N 15 118.987 0.3 . 1 . . . . 117 LEU N . 17637 1 1032 . 1 1 96 96 GLN H H 1 8.234 0.020 . 1 . . . . 118 GLN H . 17637 1 1033 . 1 1 96 96 GLN HA H 1 3.896 0.020 . 1 . . . . 118 GLN HA . 17637 1 1034 . 1 1 96 96 GLN HB2 H 1 1.989 0.020 . 1 . . . . 118 GLN HB2 . 17637 1 1035 . 1 1 96 96 GLN HB3 H 1 1.989 0.020 . 1 . . . . 118 GLN HB3 . 17637 1 1036 . 1 1 96 96 GLN HG2 H 1 2.444 0.020 . 2 . . . . 118 GLN HG2 . 17637 1 1037 . 1 1 96 96 GLN HG3 H 1 2.323 0.020 . 2 . . . . 118 GLN HG3 . 17637 1 1038 . 1 1 96 96 GLN HE21 H 1 7.620 0.020 . 1 . . . . 118 GLN HE21 . 17637 1 1039 . 1 1 96 96 GLN HE22 H 1 6.778 0.020 . 1 . . . . 118 GLN HE22 . 17637 1 1040 . 1 1 96 96 GLN CA C 13 59.074 0.3 . 1 . . . . 118 GLN CA . 17637 1 1041 . 1 1 96 96 GLN CB C 13 27.570 0.3 . 1 . . . . 118 GLN CB . 17637 1 1042 . 1 1 96 96 GLN CG C 13 33.993 0.3 . 1 . . . . 118 GLN CG . 17637 1 1043 . 1 1 96 96 GLN N N 15 116.822 0.3 . 1 . . . . 118 GLN N . 17637 1 1044 . 1 1 96 96 GLN NE2 N 15 112.919 0.3 . 1 . . . . 118 GLN NE2 . 17637 1 1045 . 1 1 97 97 LYS H H 1 7.280 0.020 . 1 . . . . 119 LYS H . 17637 1 1046 . 1 1 97 97 LYS HA H 1 4.049 0.020 . 1 . . . . 119 LYS HA . 17637 1 1047 . 1 1 97 97 LYS HB2 H 1 2.021 0.020 . 1 . . . . 119 LYS HB2 . 17637 1 1048 . 1 1 97 97 LYS HB3 H 1 2.021 0.020 . 1 . . . . 119 LYS HB3 . 17637 1 1049 . 1 1 97 97 LYS HG2 H 1 1.526 0.020 . 2 . . . . 119 LYS HG2 . 17637 1 1050 . 1 1 97 97 LYS HG3 H 1 1.422 0.020 . 2 . . . . 119 LYS HG3 . 17637 1 1051 . 1 1 97 97 LYS HD2 H 1 1.631 0.020 . 1 . . . . 119 LYS HD2 . 17637 1 1052 . 1 1 97 97 LYS HD3 H 1 1.631 0.020 . 1 . . . . 119 LYS HD3 . 17637 1 1053 . 1 1 97 97 LYS HE2 H 1 2.933 0.020 . 1 . . . . 119 LYS HE2 . 17637 1 1054 . 1 1 97 97 LYS HE3 H 1 2.933 0.020 . 1 . . . . 119 LYS HE3 . 17637 1 1055 . 1 1 97 97 LYS CA C 13 59.334 0.3 . 1 . . . . 119 LYS CA . 17637 1 1056 . 1 1 97 97 LYS CB C 13 32.358 0.3 . 1 . . . . 119 LYS CB . 17637 1 1057 . 1 1 97 97 LYS CG C 13 25.327 0.3 . 1 . . . . 119 LYS CG . 17637 1 1058 . 1 1 97 97 LYS CD C 13 29.306 0.3 . 1 . . . . 119 LYS CD . 17637 1 1059 . 1 1 97 97 LYS CE C 13 42.316 0.3 . 1 . . . . 119 LYS CE . 17637 1 1060 . 1 1 97 97 LYS N N 15 119.583 0.3 . 1 . . . . 119 LYS N . 17637 1 1061 . 1 1 98 98 LEU H H 1 8.260 0.020 . 1 . . . . 120 LEU H . 17637 1 1062 . 1 1 98 98 LEU HA H 1 4.167 0.020 . 1 . . . . 120 LEU HA . 17637 1 1063 . 1 1 98 98 LEU HB2 H 1 1.903 0.020 . 2 . . . . 120 LEU HB2 . 17637 1 1064 . 1 1 98 98 LEU HB3 H 1 1.281 0.020 . 2 . . . . 120 LEU HB3 . 17637 1 1065 . 1 1 98 98 LEU HG H 1 1.572 0.020 . 1 . . . . 120 LEU HG . 17637 1 1066 . 1 1 98 98 LEU HD11 H 1 0.753 0.020 . 2 . . . . 120 LEU HD1 . 17637 1 1067 . 1 1 98 98 LEU HD12 H 1 0.753 0.020 . 2 . . . . 120 LEU HD1 . 17637 1 1068 . 1 1 98 98 LEU HD13 H 1 0.753 0.020 . 2 . . . . 120 LEU HD1 . 17637 1 1069 . 1 1 98 98 LEU HD21 H 1 0.844 0.020 . 2 . . . . 120 LEU HD2 . 17637 1 1070 . 1 1 98 98 LEU HD22 H 1 0.844 0.020 . 2 . . . . 120 LEU HD2 . 17637 1 1071 . 1 1 98 98 LEU HD23 H 1 0.844 0.020 . 2 . . . . 120 LEU HD2 . 17637 1 1072 . 1 1 98 98 LEU CA C 13 57.528 0.3 . 1 . . . . 120 LEU CA . 17637 1 1073 . 1 1 98 98 LEU CB C 13 42.904 0.3 . 1 . . . . 120 LEU CB . 17637 1 1074 . 1 1 98 98 LEU CG C 13 27.811 0.3 . 1 . . . . 120 LEU CG . 17637 1 1075 . 1 1 98 98 LEU CD1 C 13 26.160 0.3 . 1 . . . . 120 LEU CD1 . 17637 1 1076 . 1 1 98 98 LEU CD2 C 13 24.658 0.3 . 1 . . . . 120 LEU CD2 . 17637 1 1077 . 1 1 98 98 LEU N N 15 119.270 0.3 . 1 . . . . 120 LEU N . 17637 1 1078 . 1 1 99 99 LEU H H 1 7.971 0.020 . 1 . . . . 121 LEU H . 17637 1 1079 . 1 1 99 99 LEU HA H 1 3.863 0.020 . 1 . . . . 121 LEU HA . 17637 1 1080 . 1 1 99 99 LEU HB2 H 1 1.884 0.020 . 2 . . . . 121 LEU HB2 . 17637 1 1081 . 1 1 99 99 LEU HB3 H 1 1.473 0.020 . 2 . . . . 121 LEU HB3 . 17637 1 1082 . 1 1 99 99 LEU HG H 1 1.759 0.020 . 1 . . . . 121 LEU HG . 17637 1 1083 . 1 1 99 99 LEU HD11 H 1 0.845 0.020 . 2 . . . . 121 LEU HD1 . 17637 1 1084 . 1 1 99 99 LEU HD12 H 1 0.845 0.020 . 2 . . . . 121 LEU HD1 . 17637 1 1085 . 1 1 99 99 LEU HD13 H 1 0.845 0.020 . 2 . . . . 121 LEU HD1 . 17637 1 1086 . 1 1 99 99 LEU HD21 H 1 0.796 0.020 . 2 . . . . 121 LEU HD2 . 17637 1 1087 . 1 1 99 99 LEU HD22 H 1 0.796 0.020 . 2 . . . . 121 LEU HD2 . 17637 1 1088 . 1 1 99 99 LEU HD23 H 1 0.796 0.020 . 2 . . . . 121 LEU HD2 . 17637 1 1089 . 1 1 99 99 LEU CA C 13 56.765 0.3 . 1 . . . . 121 LEU CA . 17637 1 1090 . 1 1 99 99 LEU CB C 13 42.583 0.3 . 1 . . . . 121 LEU CB . 17637 1 1091 . 1 1 99 99 LEU CG C 13 27.522 0.3 . 1 . . . . 121 LEU CG . 17637 1 1092 . 1 1 99 99 LEU CD1 C 13 26.346 0.3 . 1 . . . . 121 LEU CD1 . 17637 1 1093 . 1 1 99 99 LEU CD2 C 13 24.226 0.3 . 1 . . . . 121 LEU CD2 . 17637 1 1094 . 1 1 99 99 LEU N N 15 117.734 0.3 . 1 . . . . 121 LEU N . 17637 1 1095 . 1 1 100 100 GLN H H 1 7.505 0.020 . 1 . . . . 122 GLN H . 17637 1 1096 . 1 1 100 100 GLN HA H 1 4.235 0.020 . 1 . . . . 122 GLN HA . 17637 1 1097 . 1 1 100 100 GLN HB2 H 1 2.132 0.020 . 1 . . . . 122 GLN HB2 . 17637 1 1098 . 1 1 100 100 GLN HB3 H 1 2.132 0.020 . 1 . . . . 122 GLN HB3 . 17637 1 1099 . 1 1 100 100 GLN HG2 H 1 2.455 0.020 . 1 . . . . 122 GLN HG2 . 17637 1 1100 . 1 1 100 100 GLN HG3 H 1 2.455 0.020 . 1 . . . . 122 GLN HG3 . 17637 1 1101 . 1 1 100 100 GLN HE21 H 1 7.485 0.020 . 1 . . . . 122 GLN HE21 . 17637 1 1102 . 1 1 100 100 GLN HE22 H 1 6.772 0.020 . 1 . . . . 122 GLN HE22 . 17637 1 1103 . 1 1 100 100 GLN CA C 13 56.266 0.3 . 1 . . . . 122 GLN CA . 17637 1 1104 . 1 1 100 100 GLN CB C 13 29.271 0.3 . 1 . . . . 122 GLN CB . 17637 1 1105 . 1 1 100 100 GLN CG C 13 34.245 0.3 . 1 . . . . 122 GLN CG . 17637 1 1106 . 1 1 100 100 GLN N N 15 118.150 0.3 . 1 . . . . 122 GLN N . 17637 1 1107 . 1 1 100 100 GLN NE2 N 15 112.135 0.3 . 1 . . . . 122 GLN NE2 . 17637 1 1108 . 1 1 101 101 ASP H H 1 8.040 0.020 . 1 . . . . 123 ASP H . 17637 1 1109 . 1 1 101 101 ASP HA H 1 4.625 0.020 . 1 . . . . 123 ASP HA . 17637 1 1110 . 1 1 101 101 ASP HB2 H 1 2.765 0.020 . 2 . . . . 123 ASP HB2 . 17637 1 1111 . 1 1 101 101 ASP HB3 H 1 2.588 0.020 . 2 . . . . 123 ASP HB3 . 17637 1 1112 . 1 1 101 101 ASP CA C 13 54.624 0.3 . 1 . . . . 123 ASP CA . 17637 1 1113 . 1 1 101 101 ASP CB C 13 41.111 0.3 . 1 . . . . 123 ASP CB . 17637 1 1114 . 1 1 101 101 ASP N N 15 122.670 0.3 . 1 . . . . 123 ASP N . 17637 1 1115 . 1 1 102 102 ASP H H 1 7.983 0.020 . 1 . . . . 124 ASP H . 17637 1 1116 . 1 1 102 102 ASP HA H 1 4.358 0.020 . 1 . . . . 124 ASP HA . 17637 1 1117 . 1 1 102 102 ASP HB2 H 1 2.636 0.020 . 2 . . . . 124 ASP HB2 . 17637 1 1118 . 1 1 102 102 ASP HB3 H 1 2.564 0.020 . 2 . . . . 124 ASP HB3 . 17637 1 1119 . 1 1 102 102 ASP CA C 13 55.909 0.3 . 1 . . . . 124 ASP CA . 17637 1 1120 . 1 1 102 102 ASP CB C 13 42.339 0.3 . 1 . . . . 124 ASP CB . 17637 1 1121 . 1 1 102 102 ASP N N 15 126.147 0.3 . 1 . . . . 124 ASP N . 17637 1 stop_ save_