data_17636 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17636 _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 . . . 17636 2 Alice Solda . . . 17636 3 Maxim Gerashchenko . . . 17636 4 Vadim Gladyshev . N. . 17636 5 Alexander Dikiy . . . 17636 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17636 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 17636 '15N chemical shifts' 125 17636 '1H chemical shifts' 803 17636 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' 17636 1 . . 2011-09-13 2011-05-12 original author 'original release' 17636 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17637 'short Grx domain' 17636 PDB 2LV3 'BMRB Entry Tracking System' 17636 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17636 _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 . . . 17636 1 2 Alice Solda . . . 17636 1 3 Maxim Gerashchenko . . . 17636 1 4 Vadim Gladyshev . N. . 17636 1 5 Alexander Dikiy . . . 17636 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17636 _Assembly.ID 1 _Assembly.Name '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 'Grx domain' 1 $Grx_domain_of_TGR A . yes native no no . . . 17636 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Grx_domain_of_TGR _Entity.Sf_category entity _Entity.Sf_framecode Grx_domain_of_TGR _Entity.Entry_ID 17636 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 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 ; MSSPPGRRARLASPGTSRPS SEAREELRRRLRDLIEGNRV MIFSKSYCPHSTRVKELFSS LGVVYNILELDQVDDGASVQ EVLTEISNQKTVPNIFVNKV HVGGCDRTFQAHQNGLLQKL LQDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Grx domain' _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 17637 . shortened_Grx_domain_of_Mus_musculus_TGR . . . . . 82.26 102 100.00 100.00 1.83e-67 . . . . 17636 1 2 no PDB 2LV3 . "Structure-functional Characterization Of Grx Domain Of Mus Musculus Tgr" . . . . . 82.26 102 100.00 100.00 1.83e-67 . . . . 17636 1 3 no DBJ BAB28419 . "unnamed protein product [Mus musculus]" . . . . . 100.00 613 100.00 100.00 2.45e-79 . . . . 17636 1 4 no DBJ BAC37890 . "unnamed protein product [Mus musculus]" . . . . . 100.00 613 100.00 100.00 2.45e-79 . . . . 17636 1 5 no DBJ BAE22370 . "unnamed protein product [Mus musculus]" . . . . . 100.00 581 100.00 100.00 4.33e-79 . . . . 17636 1 6 no GB AAH76605 . "Thioredoxin reductase 3 [Mus musculus]" . . . . . 100.00 613 100.00 100.00 2.45e-79 . . . . 17636 1 7 no GB AAK31172 . "thioredoxin and glutathione reductase [Mus musculus]" . . . . . 100.00 615 100.00 100.00 2.27e-79 . . . . 17636 1 8 no GB EDK99269 . "thioredoxin reductase 3 [Mus musculus]" . . . . . 100.00 613 100.00 100.00 2.45e-79 . . . . 17636 1 9 no REF NP_001171529 . "thioredoxin reductase 3 isoform 1 [Mus musculus]" . . . . . 100.00 652 100.00 100.00 1.00e-78 . . . . 17636 1 10 no REF NP_001171530 . "thioredoxin reductase 3 isoform 3 [Mus musculus]" . . . . . 100.00 538 100.00 100.00 1.14e-79 . . . . 17636 1 11 no REF NP_001171531 . "thioredoxin reductase 3 isoform 4 [Mus musculus]" . . . . . 100.00 501 100.00 100.00 1.79e-80 . . . . 17636 1 12 no REF NP_694802 . "thioredoxin reductase 3 isoform 2 [Mus musculus]" . . . . . 100.00 615 100.00 100.00 2.27e-79 . . . . 17636 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 1.00e-78 . . . . 17636 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17636 1 2 . SER . 17636 1 3 . SER . 17636 1 4 . PRO . 17636 1 5 . PRO . 17636 1 6 . GLY . 17636 1 7 . ARG . 17636 1 8 . ARG . 17636 1 9 . ALA . 17636 1 10 . ARG . 17636 1 11 . LEU . 17636 1 12 . ALA . 17636 1 13 . SER . 17636 1 14 . PRO . 17636 1 15 . GLY . 17636 1 16 . THR . 17636 1 17 . SER . 17636 1 18 . ARG . 17636 1 19 . PRO . 17636 1 20 . SER . 17636 1 21 . SER . 17636 1 22 . GLU . 17636 1 23 . ALA . 17636 1 24 . ARG . 17636 1 25 . GLU . 17636 1 26 . GLU . 17636 1 27 . LEU . 17636 1 28 . ARG . 17636 1 29 . ARG . 17636 1 30 . ARG . 17636 1 31 . LEU . 17636 1 32 . ARG . 17636 1 33 . ASP . 17636 1 34 . LEU . 17636 1 35 . ILE . 17636 1 36 . GLU . 17636 1 37 . GLY . 17636 1 38 . ASN . 17636 1 39 . ARG . 17636 1 40 . VAL . 17636 1 41 . MET . 17636 1 42 . ILE . 17636 1 43 . PHE . 17636 1 44 . SER . 17636 1 45 . LYS . 17636 1 46 . SER . 17636 1 47 . TYR . 17636 1 48 . CYS . 17636 1 49 . PRO . 17636 1 50 . HIS . 17636 1 51 . SER . 17636 1 52 . THR . 17636 1 53 . ARG . 17636 1 54 . VAL . 17636 1 55 . LYS . 17636 1 56 . GLU . 17636 1 57 . LEU . 17636 1 58 . PHE . 17636 1 59 . SER . 17636 1 60 . SER . 17636 1 61 . LEU . 17636 1 62 . GLY . 17636 1 63 . VAL . 17636 1 64 . VAL . 17636 1 65 . TYR . 17636 1 66 . ASN . 17636 1 67 . ILE . 17636 1 68 . LEU . 17636 1 69 . GLU . 17636 1 70 . LEU . 17636 1 71 . ASP . 17636 1 72 . GLN . 17636 1 73 . VAL . 17636 1 74 . ASP . 17636 1 75 . ASP . 17636 1 76 . GLY . 17636 1 77 . ALA . 17636 1 78 . SER . 17636 1 79 . VAL . 17636 1 80 . GLN . 17636 1 81 . GLU . 17636 1 82 . VAL . 17636 1 83 . LEU . 17636 1 84 . THR . 17636 1 85 . GLU . 17636 1 86 . ILE . 17636 1 87 . SER . 17636 1 88 . ASN . 17636 1 89 . GLN . 17636 1 90 . LYS . 17636 1 91 . THR . 17636 1 92 . VAL . 17636 1 93 . PRO . 17636 1 94 . ASN . 17636 1 95 . ILE . 17636 1 96 . PHE . 17636 1 97 . VAL . 17636 1 98 . ASN . 17636 1 99 . LYS . 17636 1 100 . VAL . 17636 1 101 . HIS . 17636 1 102 . VAL . 17636 1 103 . GLY . 17636 1 104 . GLY . 17636 1 105 . CYS . 17636 1 106 . ASP . 17636 1 107 . ARG . 17636 1 108 . THR . 17636 1 109 . PHE . 17636 1 110 . GLN . 17636 1 111 . ALA . 17636 1 112 . HIS . 17636 1 113 . GLN . 17636 1 114 . ASN . 17636 1 115 . GLY . 17636 1 116 . LEU . 17636 1 117 . LEU . 17636 1 118 . GLN . 17636 1 119 . LYS . 17636 1 120 . LEU . 17636 1 121 . LEU . 17636 1 122 . GLN . 17636 1 123 . ASP . 17636 1 124 . ASP . 17636 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17636 1 . SER 2 2 17636 1 . SER 3 3 17636 1 . PRO 4 4 17636 1 . PRO 5 5 17636 1 . GLY 6 6 17636 1 . ARG 7 7 17636 1 . ARG 8 8 17636 1 . ALA 9 9 17636 1 . ARG 10 10 17636 1 . LEU 11 11 17636 1 . ALA 12 12 17636 1 . SER 13 13 17636 1 . PRO 14 14 17636 1 . GLY 15 15 17636 1 . THR 16 16 17636 1 . SER 17 17 17636 1 . ARG 18 18 17636 1 . PRO 19 19 17636 1 . SER 20 20 17636 1 . SER 21 21 17636 1 . GLU 22 22 17636 1 . ALA 23 23 17636 1 . ARG 24 24 17636 1 . GLU 25 25 17636 1 . GLU 26 26 17636 1 . LEU 27 27 17636 1 . ARG 28 28 17636 1 . ARG 29 29 17636 1 . ARG 30 30 17636 1 . LEU 31 31 17636 1 . ARG 32 32 17636 1 . ASP 33 33 17636 1 . LEU 34 34 17636 1 . ILE 35 35 17636 1 . GLU 36 36 17636 1 . GLY 37 37 17636 1 . ASN 38 38 17636 1 . ARG 39 39 17636 1 . VAL 40 40 17636 1 . MET 41 41 17636 1 . ILE 42 42 17636 1 . PHE 43 43 17636 1 . SER 44 44 17636 1 . LYS 45 45 17636 1 . SER 46 46 17636 1 . TYR 47 47 17636 1 . CYS 48 48 17636 1 . PRO 49 49 17636 1 . HIS 50 50 17636 1 . SER 51 51 17636 1 . THR 52 52 17636 1 . ARG 53 53 17636 1 . VAL 54 54 17636 1 . LYS 55 55 17636 1 . GLU 56 56 17636 1 . LEU 57 57 17636 1 . PHE 58 58 17636 1 . SER 59 59 17636 1 . SER 60 60 17636 1 . LEU 61 61 17636 1 . GLY 62 62 17636 1 . VAL 63 63 17636 1 . VAL 64 64 17636 1 . TYR 65 65 17636 1 . ASN 66 66 17636 1 . ILE 67 67 17636 1 . LEU 68 68 17636 1 . GLU 69 69 17636 1 . LEU 70 70 17636 1 . ASP 71 71 17636 1 . GLN 72 72 17636 1 . VAL 73 73 17636 1 . ASP 74 74 17636 1 . ASP 75 75 17636 1 . GLY 76 76 17636 1 . ALA 77 77 17636 1 . SER 78 78 17636 1 . VAL 79 79 17636 1 . GLN 80 80 17636 1 . GLU 81 81 17636 1 . VAL 82 82 17636 1 . LEU 83 83 17636 1 . THR 84 84 17636 1 . GLU 85 85 17636 1 . ILE 86 86 17636 1 . SER 87 87 17636 1 . ASN 88 88 17636 1 . GLN 89 89 17636 1 . LYS 90 90 17636 1 . THR 91 91 17636 1 . VAL 92 92 17636 1 . PRO 93 93 17636 1 . ASN 94 94 17636 1 . ILE 95 95 17636 1 . PHE 96 96 17636 1 . VAL 97 97 17636 1 . ASN 98 98 17636 1 . LYS 99 99 17636 1 . VAL 100 100 17636 1 . HIS 101 101 17636 1 . VAL 102 102 17636 1 . GLY 103 103 17636 1 . GLY 104 104 17636 1 . CYS 105 105 17636 1 . ASP 106 106 17636 1 . ARG 107 107 17636 1 . THR 108 108 17636 1 . PHE 109 109 17636 1 . GLN 110 110 17636 1 . ALA 111 111 17636 1 . HIS 112 112 17636 1 . GLN 113 113 17636 1 . ASN 114 114 17636 1 . GLY 115 115 17636 1 . LEU 116 116 17636 1 . LEU 117 117 17636 1 . GLN 118 118 17636 1 . LYS 119 119 17636 1 . LEU 120 120 17636 1 . LEU 121 121 17636 1 . GLN 122 122 17636 1 . ASP 123 123 17636 1 . ASP 124 124 17636 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 17636 _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 $Grx_domain_of_TGR . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17636 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 17636 _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 $Grx_domain_of_TGR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17636 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17636 _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 'Grx domain of Mus musculus TGR' '[U-13C; U-15N]' . . 1 $Grx_domain_of_TGR . . 1 . . mM . . . . 17636 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17636 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 17636 1 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17636 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17636 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17636 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 17636 _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 17636 1 pressure 1 . atm 17636 1 temperature 298 . K 17636 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17636 _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' . . 17636 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17636 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 17636 _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 17636 _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 . . . 17636 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 17636 _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 . . . . . . . . . . . . . . . . 17636 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 12 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17636 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 17636 _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 . . . . . . . . . 17636 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17636 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17636 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 17636 _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' . . . 17636 1 2 '2D 1H-13C HSQC' . . . 17636 1 3 '2D 1H-13C HSQC aromatic' . . . 17636 1 4 '2D 1H-1H TOCSY' . . . 17636 1 5 '2D 1H-1H NOESY' . . . 17636 1 6 '3D CBCA(CO)NH' . . . 17636 1 7 '3D HNCO' . . . 17636 1 8 '3D HNCA' . . . 17636 1 9 '3D HNCACB' . . . 17636 1 10 '3D HBHA(CO)NH' . . . 17636 1 11 '3D HCCH-TOCSY' . . . 17636 1 12 '3D HBHANH' . . . 17636 1 13 '3D 1H-15N NOESY' . . . 17636 1 14 '3D 1H-13C NOESY aliphatic' . . . 17636 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 7 7 ARG H H 1 8.165 0.020 . 1 . . . . 7 ARG H . 17636 1 2 . 1 1 7 7 ARG HA H 1 4.224 0.020 . 1 . . . . 7 ARG HA . 17636 1 3 . 1 1 7 7 ARG HB2 H 1 1.790 0.020 . 2 . . . . 7 ARG HB2 . 17636 1 4 . 1 1 7 7 ARG HB3 H 1 1.697 0.020 . 2 . . . . 7 ARG HB3 . 17636 1 5 . 1 1 7 7 ARG HG2 H 1 1.540 0.020 . 1 . . . . 7 ARG HG2 . 17636 1 6 . 1 1 7 7 ARG HG3 H 1 1.540 0.020 . 1 . . . . 7 ARG HG3 . 17636 1 7 . 1 1 7 7 ARG CA C 13 56.136 0.3 . 1 . . . . 7 ARG CA . 17636 1 8 . 1 1 7 7 ARG CB C 13 30.583 0.3 . 1 . . . . 7 ARG CB . 17636 1 9 . 1 1 7 7 ARG CG C 13 27.289 0.3 . 1 . . . . 7 ARG CG . 17636 1 10 . 1 1 7 7 ARG N N 15 121.462 0.3 . 1 . . . . 7 ARG N . 17636 1 11 . 1 1 8 8 ARG H H 1 8.412 0.020 . 1 . . . . 8 ARG H . 17636 1 12 . 1 1 8 8 ARG HA H 1 4.232 0.020 . 1 . . . . 8 ARG HA . 17636 1 13 . 1 1 8 8 ARG HB2 H 1 1.720 0.020 . 1 . . . . 8 ARG HB2 . 17636 1 14 . 1 1 8 8 ARG HB3 H 1 1.720 0.020 . 1 . . . . 8 ARG HB3 . 17636 1 15 . 1 1 8 8 ARG CA C 13 56.208 0.3 . 1 . . . . 8 ARG CA . 17636 1 16 . 1 1 8 8 ARG CB C 13 30.583 0.3 . 1 . . . . 8 ARG CB . 17636 1 17 . 1 1 8 8 ARG N N 15 123.153 0.3 . 1 . . . . 8 ARG N . 17636 1 18 . 1 1 9 9 ALA H H 1 8.284 0.020 . 1 . . . . 9 ALA H . 17636 1 19 . 1 1 9 9 ALA HA H 1 4.202 0.020 . 1 . . . . 9 ALA HA . 17636 1 20 . 1 1 9 9 ALA HB1 H 1 1.286 0.020 . 1 . . . . 9 ALA HB . 17636 1 21 . 1 1 9 9 ALA HB2 H 1 1.286 0.020 . 1 . . . . 9 ALA HB . 17636 1 22 . 1 1 9 9 ALA HB3 H 1 1.286 0.020 . 1 . . . . 9 ALA HB . 17636 1 23 . 1 1 9 9 ALA CA C 13 52.403 0.3 . 1 . . . . 9 ALA CA . 17636 1 24 . 1 1 9 9 ALA CB C 13 18.943 0.3 . 1 . . . . 9 ALA CB . 17636 1 25 . 1 1 9 9 ALA N N 15 126.117 0.3 . 1 . . . . 9 ALA N . 17636 1 26 . 1 1 10 10 ARG H H 1 8.285 0.020 . 1 . . . . 10 ARG H . 17636 1 27 . 1 1 10 10 ARG HA H 1 4.216 0.020 . 1 . . . . 10 ARG HA . 17636 1 28 . 1 1 10 10 ARG HB2 H 1 1.699 0.020 . 1 . . . . 10 ARG HB2 . 17636 1 29 . 1 1 10 10 ARG HB3 H 1 1.699 0.020 . 1 . . . . 10 ARG HB3 . 17636 1 30 . 1 1 10 10 ARG HD2 H 1 3.105 0.020 . 1 . . . . 10 ARG HD2 . 17636 1 31 . 1 1 10 10 ARG HD3 H 1 3.105 0.020 . 1 . . . . 10 ARG HD3 . 17636 1 32 . 1 1 10 10 ARG CA C 13 55.998 0.3 . 1 . . . . 10 ARG CA . 17636 1 33 . 1 1 10 10 ARG CB C 13 30.681 0.3 . 1 . . . . 10 ARG CB . 17636 1 34 . 1 1 10 10 ARG CD C 13 43.227 0.3 . 1 . . . . 10 ARG CD . 17636 1 35 . 1 1 10 10 ARG N N 15 121.268 0.3 . 1 . . . . 10 ARG N . 17636 1 36 . 1 1 11 11 LEU H H 1 8.305 0.020 . 1 . . . . 11 LEU H . 17636 1 37 . 1 1 11 11 LEU HA H 1 4.265 0.020 . 1 . . . . 11 LEU HA . 17636 1 38 . 1 1 11 11 LEU HB2 H 1 1.516 0.020 . 1 . . . . 11 LEU HB2 . 17636 1 39 . 1 1 11 11 LEU HB3 H 1 1.516 0.020 . 1 . . . . 11 LEU HB3 . 17636 1 40 . 1 1 11 11 LEU HG H 1 1.556 0.020 . 1 . . . . 11 LEU HG . 17636 1 41 . 1 1 11 11 LEU HD11 H 1 0.843 0.020 . 2 . . . . 11 LEU HD1 . 17636 1 42 . 1 1 11 11 LEU HD12 H 1 0.843 0.020 . 2 . . . . 11 LEU HD1 . 17636 1 43 . 1 1 11 11 LEU HD13 H 1 0.843 0.020 . 2 . . . . 11 LEU HD1 . 17636 1 44 . 1 1 11 11 LEU HD21 H 1 0.778 0.020 . 2 . . . . 11 LEU HD2 . 17636 1 45 . 1 1 11 11 LEU HD22 H 1 0.778 0.020 . 2 . . . . 11 LEU HD2 . 17636 1 46 . 1 1 11 11 LEU HD23 H 1 0.778 0.020 . 2 . . . . 11 LEU HD2 . 17636 1 47 . 1 1 11 11 LEU CA C 13 54.960 0.3 . 1 . . . . 11 LEU CA . 17636 1 48 . 1 1 11 11 LEU CB C 13 42.448 0.3 . 1 . . . . 11 LEU CB . 17636 1 49 . 1 1 11 11 LEU CG C 13 27.160 0.3 . 1 . . . . 11 LEU CG . 17636 1 50 . 1 1 11 11 LEU CD1 C 13 24.649 0.3 . 1 . . . . 11 LEU CD1 . 17636 1 51 . 1 1 11 11 LEU CD2 C 13 23.484 0.3 . 1 . . . . 11 LEU CD2 . 17636 1 52 . 1 1 11 11 LEU N N 15 124.359 0.3 . 1 . . . . 11 LEU N . 17636 1 53 . 1 1 12 12 ALA H H 1 8.274 0.020 . 1 . . . . 12 ALA H . 17636 1 54 . 1 1 12 12 ALA HA H 1 4.241 0.020 . 1 . . . . 12 ALA HA . 17636 1 55 . 1 1 12 12 ALA HB1 H 1 1.282 0.020 . 1 . . . . 12 ALA HB . 17636 1 56 . 1 1 12 12 ALA HB2 H 1 1.282 0.020 . 1 . . . . 12 ALA HB . 17636 1 57 . 1 1 12 12 ALA HB3 H 1 1.282 0.020 . 1 . . . . 12 ALA HB . 17636 1 58 . 1 1 12 12 ALA CA C 13 52.248 0.3 . 1 . . . . 12 ALA CA . 17636 1 59 . 1 1 12 12 ALA CB C 13 19.312 0.3 . 1 . . . . 12 ALA CB . 17636 1 60 . 1 1 12 12 ALA N N 15 125.640 0.3 . 1 . . . . 12 ALA N . 17636 1 61 . 1 1 13 13 SER H H 1 8.278 0.020 . 1 . . . . 13 SER H . 17636 1 62 . 1 1 13 13 SER HA H 1 4.635 0.020 . 1 . . . . 13 SER HA . 17636 1 63 . 1 1 13 13 SER HB2 H 1 3.660 0.020 . 1 . . . . 13 SER HB2 . 17636 1 64 . 1 1 13 13 SER HB3 H 1 3.660 0.020 . 1 . . . . 13 SER HB3 . 17636 1 65 . 1 1 13 13 SER CA C 13 56.340 0.3 . 1 . . . . 13 SER CA . 17636 1 66 . 1 1 13 13 SER CB C 13 63.214 0.3 . 1 . . . . 13 SER CB . 17636 1 67 . 1 1 13 13 SER N N 15 117.457 0.3 . 1 . . . . 13 SER N . 17636 1 68 . 1 1 14 14 PRO HA H 1 4.367 0.020 . 1 . . . . 14 PRO HA . 17636 1 69 . 1 1 14 14 PRO HB2 H 1 2.231 0.020 . 2 . . . . 14 PRO HB2 . 17636 1 70 . 1 1 14 14 PRO HB3 H 1 1.890 0.020 . 2 . . . . 14 PRO HB3 . 17636 1 71 . 1 1 14 14 PRO HG2 H 1 1.940 0.020 . 1 . . . . 14 PRO HG2 . 17636 1 72 . 1 1 14 14 PRO HG3 H 1 1.940 0.020 . 1 . . . . 14 PRO HG3 . 17636 1 73 . 1 1 14 14 PRO HD2 H 1 3.740 0.020 . 2 . . . . 14 PRO HD2 . 17636 1 74 . 1 1 14 14 PRO HD3 H 1 3.662 0.020 . 2 . . . . 14 PRO HD3 . 17636 1 75 . 1 1 14 14 PRO C C 13 177.125 0.3 . 1 . . . . 14 PRO C . 17636 1 76 . 1 1 14 14 PRO CA C 13 63.544 0.3 . 1 . . . . 14 PRO CA . 17636 1 77 . 1 1 14 14 PRO CB C 13 32.131 0.3 . 1 . . . . 14 PRO CB . 17636 1 78 . 1 1 14 14 PRO CG C 13 27.439 0.3 . 1 . . . . 14 PRO CG . 17636 1 79 . 1 1 14 14 PRO CD C 13 50.794 0.3 . 1 . . . . 14 PRO CD . 17636 1 80 . 1 1 15 15 GLY H H 1 8.455 0.020 . 1 . . . . 15 GLY H . 17636 1 81 . 1 1 15 15 GLY HA2 H 1 3.915 0.020 . 1 . . . . 15 GLY HA2 . 17636 1 82 . 1 1 15 15 GLY HA3 H 1 3.915 0.020 . 1 . . . . 15 GLY HA3 . 17636 1 83 . 1 1 15 15 GLY C C 13 174.413 0.3 . 1 . . . . 15 GLY C . 17636 1 84 . 1 1 15 15 GLY CA C 13 45.276 0.3 . 1 . . . . 15 GLY CA . 17636 1 85 . 1 1 15 15 GLY N N 15 109.946 0.3 . 1 . . . . 15 GLY N . 17636 1 86 . 1 1 16 16 THR H H 1 7.980 0.020 . 1 . . . . 16 THR H . 17636 1 87 . 1 1 16 16 THR HA H 1 4.313 0.020 . 1 . . . . 16 THR HA . 17636 1 88 . 1 1 16 16 THR HB H 1 4.177 0.020 . 1 . . . . 16 THR HB . 17636 1 89 . 1 1 16 16 THR HG21 H 1 1.106 0.020 . 1 . . . . 16 THR HG2 . 17636 1 90 . 1 1 16 16 THR HG22 H 1 1.106 0.020 . 1 . . . . 16 THR HG2 . 17636 1 91 . 1 1 16 16 THR HG23 H 1 1.106 0.020 . 1 . . . . 16 THR HG2 . 17636 1 92 . 1 1 16 16 THR CA C 13 61.621 0.3 . 1 . . . . 16 THR CA . 17636 1 93 . 1 1 16 16 THR CB C 13 69.819 0.3 . 1 . . . . 16 THR CB . 17636 1 94 . 1 1 16 16 THR CG2 C 13 21.482 0.3 . 1 . . . . 16 THR CG2 . 17636 1 95 . 1 1 16 16 THR N N 15 113.735 0.3 . 1 . . . . 16 THR N . 17636 1 96 . 1 1 17 17 SER H H 1 8.349 0.020 . 1 . . . . 17 SER H . 17636 1 97 . 1 1 17 17 SER HA H 1 4.388 0.020 . 1 . . . . 17 SER HA . 17636 1 98 . 1 1 17 17 SER HB2 H 1 3.766 0.020 . 1 . . . . 17 SER HB2 . 17636 1 99 . 1 1 17 17 SER HB3 H 1 3.766 0.020 . 1 . . . . 17 SER HB3 . 17636 1 100 . 1 1 17 17 SER CA C 13 58.272 0.3 . 1 . . . . 17 SER CA . 17636 1 101 . 1 1 17 17 SER CB C 13 63.741 0.3 . 1 . . . . 17 SER CB . 17636 1 102 . 1 1 17 17 SER N N 15 119.262 0.3 . 1 . . . . 17 SER N . 17636 1 103 . 1 1 18 18 ARG H H 1 8.342 0.020 . 1 . . . . 18 ARG H . 17636 1 104 . 1 1 18 18 ARG HA H 1 4.561 0.020 . 1 . . . . 18 ARG HA . 17636 1 105 . 1 1 18 18 ARG HB2 H 1 1.748 0.020 . 2 . . . . 18 ARG HB2 . 17636 1 106 . 1 1 18 18 ARG HB3 H 1 1.638 0.020 . 2 . . . . 18 ARG HB3 . 17636 1 107 . 1 1 18 18 ARG HG2 H 1 1.586 0.020 . 1 . . . . 18 ARG HG2 . 17636 1 108 . 1 1 18 18 ARG HG3 H 1 1.586 0.020 . 1 . . . . 18 ARG HG3 . 17636 1 109 . 1 1 18 18 ARG HD2 H 1 3.110 0.020 . 1 . . . . 18 ARG HD2 . 17636 1 110 . 1 1 18 18 ARG HD3 H 1 3.110 0.020 . 1 . . . . 18 ARG HD3 . 17636 1 111 . 1 1 18 18 ARG C C 13 174.009 0.3 . 1 . . . . 18 ARG C . 17636 1 112 . 1 1 18 18 ARG CA C 13 53.878 0.3 . 1 . . . . 18 ARG CA . 17636 1 113 . 1 1 18 18 ARG CB C 13 30.005 0.3 . 1 . . . . 18 ARG CB . 17636 1 114 . 1 1 18 18 ARG CG C 13 26.539 0.3 . 1 . . . . 18 ARG CG . 17636 1 115 . 1 1 18 18 ARG CD C 13 43.209 0.3 . 1 . . . . 18 ARG CD . 17636 1 116 . 1 1 18 18 ARG N N 15 124.559 0.3 . 1 . . . . 18 ARG N . 17636 1 117 . 1 1 19 19 PRO HA H 1 4.366 0.020 . 1 . . . . 19 PRO HA . 17636 1 118 . 1 1 19 19 PRO HB2 H 1 2.225 0.020 . 2 . . . . 19 PRO HB2 . 17636 1 119 . 1 1 19 19 PRO HB3 H 1 1.831 0.020 . 2 . . . . 19 PRO HB3 . 17636 1 120 . 1 1 19 19 PRO HG2 H 1 1.953 0.020 . 1 . . . . 19 PRO HG2 . 17636 1 121 . 1 1 19 19 PRO HG3 H 1 1.953 0.020 . 1 . . . . 19 PRO HG3 . 17636 1 122 . 1 1 19 19 PRO HD2 H 1 3.740 0.020 . 1 . . . . 19 PRO HD2 . 17636 1 123 . 1 1 19 19 PRO HD3 H 1 3.740 0.020 . 1 . . . . 19 PRO HD3 . 17636 1 124 . 1 1 19 19 PRO CA C 13 63.306 0.3 . 1 . . . . 19 PRO CA . 17636 1 125 . 1 1 19 19 PRO CB C 13 31.782 0.3 . 1 . . . . 19 PRO CB . 17636 1 126 . 1 1 19 19 PRO CG C 13 27.143 0.3 . 1 . . . . 19 PRO CG . 17636 1 127 . 1 1 19 19 PRO CD C 13 50.809 0.3 . 1 . . . . 19 PRO CD . 17636 1 128 . 1 1 20 20 SER H H 1 8.564 0.020 . 1 . . . . 20 SER H . 17636 1 129 . 1 1 20 20 SER HA H 1 4.344 0.020 . 1 . . . . 20 SER HA . 17636 1 130 . 1 1 20 20 SER HB2 H 1 3.961 0.020 . 2 . . . . 20 SER HB2 . 17636 1 131 . 1 1 20 20 SER HB3 H 1 3.851 0.020 . 2 . . . . 20 SER HB3 . 17636 1 132 . 1 1 20 20 SER CA C 13 58.503 0.3 . 1 . . . . 20 SER CA . 17636 1 133 . 1 1 20 20 SER CB C 13 63.538 0.3 . 1 . . . . 20 SER CB . 17636 1 134 . 1 1 20 20 SER N N 15 118.012 0.3 . 1 . . . . 20 SER N . 17636 1 135 . 1 1 21 21 SER H H 1 8.410 0.020 . 1 . . . . 21 SER H . 17636 1 136 . 1 1 21 21 SER HA H 1 4.259 0.020 . 1 . . . . 21 SER HA . 17636 1 137 . 1 1 21 21 SER HB2 H 1 3.872 0.020 . 1 . . . . 21 SER HB2 . 17636 1 138 . 1 1 21 21 SER HB3 H 1 3.872 0.020 . 1 . . . . 21 SER HB3 . 17636 1 139 . 1 1 21 21 SER CA C 13 59.909 0.3 . 1 . . . . 21 SER CA . 17636 1 140 . 1 1 21 21 SER CB C 13 63.144 0.3 . 1 . . . . 21 SER CB . 17636 1 141 . 1 1 21 21 SER N N 15 123.738 0.3 . 1 . . . . 21 SER N . 17636 1 142 . 1 1 22 22 GLU H H 1 8.447 0.020 . 1 . . . . 22 GLU H . 17636 1 143 . 1 1 22 22 GLU HA H 1 4.078 0.020 . 1 . . . . 22 GLU HA . 17636 1 144 . 1 1 22 22 GLU HB2 H 1 1.956 0.020 . 1 . . . . 22 GLU HB2 . 17636 1 145 . 1 1 22 22 GLU HB3 H 1 1.956 0.020 . 1 . . . . 22 GLU HB3 . 17636 1 146 . 1 1 22 22 GLU HG2 H 1 2.232 0.020 . 1 . . . . 22 GLU HG2 . 17636 1 147 . 1 1 22 22 GLU HG3 H 1 2.232 0.020 . 1 . . . . 22 GLU HG3 . 17636 1 148 . 1 1 22 22 GLU C C 13 178.352 0.3 . 1 . . . . 22 GLU C . 17636 1 149 . 1 1 22 22 GLU CA C 13 58.731 0.3 . 1 . . . . 22 GLU CA . 17636 1 150 . 1 1 22 22 GLU CB C 13 29.267 0.3 . 1 . . . . 22 GLU CB . 17636 1 151 . 1 1 22 22 GLU CG C 13 36.644 0.3 . 1 . . . . 22 GLU CG . 17636 1 152 . 1 1 22 22 GLU N N 15 123.738 0.3 . 1 . . . . 22 GLU N . 17636 1 153 . 1 1 23 23 ALA H H 1 8.168 0.020 . 1 . . . . 23 ALA H . 17636 1 154 . 1 1 23 23 ALA HA H 1 4.122 0.020 . 1 . . . . 23 ALA HA . 17636 1 155 . 1 1 23 23 ALA HB1 H 1 1.400 0.020 . 1 . . . . 23 ALA HB . 17636 1 156 . 1 1 23 23 ALA HB2 H 1 1.400 0.020 . 1 . . . . 23 ALA HB . 17636 1 157 . 1 1 23 23 ALA HB3 H 1 1.400 0.020 . 1 . . . . 23 ALA HB . 17636 1 158 . 1 1 23 23 ALA C C 13 180.438 0.3 . 1 . . . . 23 ALA C . 17636 1 159 . 1 1 23 23 ALA CA C 13 54.627 0.3 . 1 . . . . 23 ALA CA . 17636 1 160 . 1 1 23 23 ALA CB C 13 18.048 0.3 . 1 . . . . 23 ALA CB . 17636 1 161 . 1 1 23 23 ALA N N 15 124.258 0.3 . 1 . . . . 23 ALA N . 17636 1 162 . 1 1 24 24 ARG H H 1 8.205 0.020 . 1 . . . . 24 ARG H . 17636 1 163 . 1 1 24 24 ARG HA H 1 3.927 0.020 . 1 . . . . 24 ARG HA . 17636 1 164 . 1 1 24 24 ARG HB2 H 1 1.824 0.020 . 1 . . . . 24 ARG HB2 . 17636 1 165 . 1 1 24 24 ARG HB3 H 1 1.824 0.020 . 1 . . . . 24 ARG HB3 . 17636 1 166 . 1 1 24 24 ARG HG2 H 1 1.745 0.020 . 2 . . . . 24 ARG HG2 . 17636 1 167 . 1 1 24 24 ARG HG3 H 1 1.474 0.020 . 2 . . . . 24 ARG HG3 . 17636 1 168 . 1 1 24 24 ARG HD2 H 1 3.107 0.020 . 1 . . . . 24 ARG HD2 . 17636 1 169 . 1 1 24 24 ARG HD3 H 1 3.107 0.020 . 1 . . . . 24 ARG HD3 . 17636 1 170 . 1 1 24 24 ARG C C 13 178.186 0.3 . 1 . . . . 24 ARG C . 17636 1 171 . 1 1 24 24 ARG CA C 13 59.054 0.3 . 1 . . . . 24 ARG CA . 17636 1 172 . 1 1 24 24 ARG CB C 13 29.477 0.3 . 1 . . . . 24 ARG CB . 17636 1 173 . 1 1 24 24 ARG CG C 13 27.174 0.3 . 1 . . . . 24 ARG CG . 17636 1 174 . 1 1 24 24 ARG CD C 13 43.269 0.3 . 1 . . . . 24 ARG CD . 17636 1 175 . 1 1 24 24 ARG N N 15 120.468 0.3 . 1 . . . . 24 ARG N . 17636 1 176 . 1 1 25 25 GLU H H 1 8.024 0.020 . 1 . . . . 25 GLU H . 17636 1 177 . 1 1 25 25 GLU HA H 1 4.033 0.020 . 1 . . . . 25 GLU HA . 17636 1 178 . 1 1 25 25 GLU HB2 H 1 2.011 0.020 . 1 . . . . 25 GLU HB2 . 17636 1 179 . 1 1 25 25 GLU HB3 H 1 2.011 0.020 . 1 . . . . 25 GLU HB3 . 17636 1 180 . 1 1 25 25 GLU HG2 H 1 2.228 0.020 . 1 . . . . 25 GLU HG2 . 17636 1 181 . 1 1 25 25 GLU HG3 H 1 2.228 0.020 . 1 . . . . 25 GLU HG3 . 17636 1 182 . 1 1 25 25 GLU C C 13 179.253 0.3 . 1 . . . . 25 GLU C . 17636 1 183 . 1 1 25 25 GLU CA C 13 58.847 0.3 . 1 . . . . 25 GLU CA . 17636 1 184 . 1 1 25 25 GLU CB C 13 28.556 0.3 . 1 . . . . 25 GLU CB . 17636 1 185 . 1 1 25 25 GLU CG C 13 36.307 0.3 . 1 . . . . 25 GLU CG . 17636 1 186 . 1 1 25 25 GLU N N 15 119.574 0.3 . 1 . . . . 25 GLU N . 17636 1 187 . 1 1 26 26 GLU H H 1 7.949 0.020 . 1 . . . . 26 GLU H . 17636 1 188 . 1 1 26 26 GLU HA H 1 4.021 0.020 . 1 . . . . 26 GLU HA . 17636 1 189 . 1 1 26 26 GLU HB2 H 1 2.031 0.020 . 1 . . . . 26 GLU HB2 . 17636 1 190 . 1 1 26 26 GLU HB3 H 1 2.031 0.020 . 1 . . . . 26 GLU HB3 . 17636 1 191 . 1 1 26 26 GLU HG2 H 1 2.273 0.020 . 1 . . . . 26 GLU HG2 . 17636 1 192 . 1 1 26 26 GLU HG3 H 1 2.273 0.020 . 1 . . . . 26 GLU HG3 . 17636 1 193 . 1 1 26 26 GLU C C 13 178.897 0.3 . 1 . . . . 26 GLU C . 17636 1 194 . 1 1 26 26 GLU CA C 13 59.121 0.3 . 1 . . . . 26 GLU CA . 17636 1 195 . 1 1 26 26 GLU CB C 13 28.794 0.3 . 1 . . . . 26 GLU CB . 17636 1 196 . 1 1 26 26 GLU CG C 13 36.083 0.3 . 1 . . . . 26 GLU CG . 17636 1 197 . 1 1 26 26 GLU N N 15 120.907 0.3 . 1 . . . . 26 GLU N . 17636 1 198 . 1 1 27 27 LEU H H 1 7.803 0.020 . 1 . . . . 27 LEU H . 17636 1 199 . 1 1 27 27 LEU HA H 1 4.016 0.020 . 1 . . . . 27 LEU HA . 17636 1 200 . 1 1 27 27 LEU HB2 H 1 1.795 0.020 . 2 . . . . 27 LEU HB2 . 17636 1 201 . 1 1 27 27 LEU HB3 H 1 1.523 0.020 . 2 . . . . 27 LEU HB3 . 17636 1 202 . 1 1 27 27 LEU HG H 1 1.466 0.020 . 1 . . . . 27 LEU HG . 17636 1 203 . 1 1 27 27 LEU HD11 H 1 0.804 0.020 . 2 . . . . 27 LEU HD1 . 17636 1 204 . 1 1 27 27 LEU HD12 H 1 0.804 0.020 . 2 . . . . 27 LEU HD1 . 17636 1 205 . 1 1 27 27 LEU HD13 H 1 0.804 0.020 . 2 . . . . 27 LEU HD1 . 17636 1 206 . 1 1 27 27 LEU HD21 H 1 0.732 0.020 . 2 . . . . 27 LEU HD2 . 17636 1 207 . 1 1 27 27 LEU HD22 H 1 0.732 0.020 . 2 . . . . 27 LEU HD2 . 17636 1 208 . 1 1 27 27 LEU HD23 H 1 0.732 0.020 . 2 . . . . 27 LEU HD2 . 17636 1 209 . 1 1 27 27 LEU C C 13 178.423 0.3 . 1 . . . . 27 LEU C . 17636 1 210 . 1 1 27 27 LEU CA C 13 57.863 0.3 . 1 . . . . 27 LEU CA . 17636 1 211 . 1 1 27 27 LEU CB C 13 41.829 0.3 . 1 . . . . 27 LEU CB . 17636 1 212 . 1 1 27 27 LEU CG C 13 27.427 0.3 . 1 . . . . 27 LEU CG . 17636 1 213 . 1 1 27 27 LEU CD1 C 13 24.434 0.3 . 1 . . . . 27 LEU CD1 . 17636 1 214 . 1 1 27 27 LEU CD2 C 13 25.021 0.3 . 1 . . . . 27 LEU CD2 . 17636 1 215 . 1 1 27 27 LEU N N 15 121.879 0.3 . 1 . . . . 27 LEU N . 17636 1 216 . 1 1 28 28 ARG H H 1 8.303 0.020 . 1 . . . . 28 ARG H . 17636 1 217 . 1 1 28 28 ARG HA H 1 3.590 0.020 . 1 . . . . 28 ARG HA . 17636 1 218 . 1 1 28 28 ARG HB2 H 1 1.788 0.020 . 1 . . . . 28 ARG HB2 . 17636 1 219 . 1 1 28 28 ARG HB3 H 1 1.788 0.020 . 1 . . . . 28 ARG HB3 . 17636 1 220 . 1 1 28 28 ARG HG2 H 1 1.564 0.020 . 2 . . . . 28 ARG HG2 . 17636 1 221 . 1 1 28 28 ARG HG3 H 1 1.388 0.020 . 2 . . . . 28 ARG HG3 . 17636 1 222 . 1 1 28 28 ARG HD2 H 1 3.051 0.020 . 1 . . . . 28 ARG HD2 . 17636 1 223 . 1 1 28 28 ARG HD3 H 1 3.051 0.020 . 1 . . . . 28 ARG HD3 . 17636 1 224 . 1 1 28 28 ARG C C 13 178.329 0.3 . 1 . . . . 28 ARG C . 17636 1 225 . 1 1 28 28 ARG CA C 13 60.480 0.3 . 1 . . . . 28 ARG CA . 17636 1 226 . 1 1 28 28 ARG CB C 13 29.754 0.3 . 1 . . . . 28 ARG CB . 17636 1 227 . 1 1 28 28 ARG CG C 13 28.062 0.3 . 1 . . . . 28 ARG CG . 17636 1 228 . 1 1 28 28 ARG CD C 13 43.263 0.3 . 1 . . . . 28 ARG CD . 17636 1 229 . 1 1 28 28 ARG N N 15 119.877 0.3 . 1 . . . . 28 ARG N . 17636 1 230 . 1 1 29 29 ARG H H 1 7.755 0.020 . 1 . . . . 29 ARG H . 17636 1 231 . 1 1 29 29 ARG HA H 1 3.821 0.020 . 1 . . . . 29 ARG HA . 17636 1 232 . 1 1 29 29 ARG HB2 H 1 1.863 0.020 . 1 . . . . 29 ARG HB2 . 17636 1 233 . 1 1 29 29 ARG HB3 H 1 1.863 0.020 . 1 . . . . 29 ARG HB3 . 17636 1 234 . 1 1 29 29 ARG HG2 H 1 1.626 0.020 . 1 . . . . 29 ARG HG2 . 17636 1 235 . 1 1 29 29 ARG HG3 H 1 1.626 0.020 . 1 . . . . 29 ARG HG3 . 17636 1 236 . 1 1 29 29 ARG HD2 H 1 3.107 0.020 . 1 . . . . 29 ARG HD2 . 17636 1 237 . 1 1 29 29 ARG HD3 H 1 3.107 0.020 . 1 . . . . 29 ARG HD3 . 17636 1 238 . 1 1 29 29 ARG C C 13 178.044 0.3 . 1 . . . . 29 ARG C . 17636 1 239 . 1 1 29 29 ARG CA C 13 59.340 0.3 . 1 . . . . 29 ARG CA . 17636 1 240 . 1 1 29 29 ARG CB C 13 29.754 0.3 . 1 . . . . 29 ARG CB . 17636 1 241 . 1 1 29 29 ARG CG C 13 25.087 0.3 . 1 . . . . 29 ARG CG . 17636 1 242 . 1 1 29 29 ARG CD C 13 43.330 0.3 . 1 . . . . 29 ARG CD . 17636 1 243 . 1 1 29 29 ARG N N 15 119.096 0.3 . 1 . . . . 29 ARG N . 17636 1 244 . 1 1 30 30 ARG H H 1 8.208 0.020 . 1 . . . . 30 ARG H . 17636 1 245 . 1 1 30 30 ARG HA H 1 3.991 0.020 . 1 . . . . 30 ARG HA . 17636 1 246 . 1 1 30 30 ARG HB2 H 1 1.998 0.020 . 2 . . . . 30 ARG HB2 . 17636 1 247 . 1 1 30 30 ARG HB3 H 1 1.863 0.020 . 2 . . . . 30 ARG HB3 . 17636 1 248 . 1 1 30 30 ARG HG2 H 1 1.758 0.020 . 1 . . . . 30 ARG HG2 . 17636 1 249 . 1 1 30 30 ARG HG3 H 1 1.758 0.020 . 1 . . . . 30 ARG HG3 . 17636 1 250 . 1 1 30 30 ARG HD2 H 1 3.100 0.020 . 1 . . . . 30 ARG HD2 . 17636 1 251 . 1 1 30 30 ARG HD3 H 1 3.100 0.020 . 1 . . . . 30 ARG HD3 . 17636 1 252 . 1 1 30 30 ARG C C 13 179.727 0.3 . 1 . . . . 30 ARG C . 17636 1 253 . 1 1 30 30 ARG CA C 13 59.243 0.3 . 1 . . . . 30 ARG CA . 17636 1 254 . 1 1 30 30 ARG CB C 13 30.215 0.3 . 1 . . . . 30 ARG CB . 17636 1 255 . 1 1 30 30 ARG CG C 13 27.100 0.3 . 1 . . . . 30 ARG CG . 17636 1 256 . 1 1 30 30 ARG CD C 13 43.926 0.3 . 1 . . . . 30 ARG CD . 17636 1 257 . 1 1 30 30 ARG N N 15 120.525 0.3 . 1 . . . . 30 ARG N . 17636 1 258 . 1 1 31 31 LEU H H 1 8.418 0.020 . 1 . . . . 31 LEU H . 17636 1 259 . 1 1 31 31 LEU HA H 1 3.991 0.020 . 1 . . . . 31 LEU HA . 17636 1 260 . 1 1 31 31 LEU HB2 H 1 1.697 0.020 . 2 . . . . 31 LEU HB2 . 17636 1 261 . 1 1 31 31 LEU HB3 H 1 1.013 0.020 . 2 . . . . 31 LEU HB3 . 17636 1 262 . 1 1 31 31 LEU HG H 1 1.520 0.020 . 1 . . . . 31 LEU HG . 17636 1 263 . 1 1 31 31 LEU HD11 H 1 0.665 0.020 . 2 . . . . 31 LEU HD1 . 17636 1 264 . 1 1 31 31 LEU HD12 H 1 0.665 0.020 . 2 . . . . 31 LEU HD1 . 17636 1 265 . 1 1 31 31 LEU HD13 H 1 0.665 0.020 . 2 . . . . 31 LEU HD1 . 17636 1 266 . 1 1 31 31 LEU HD21 H 1 0.633 0.020 . 2 . . . . 31 LEU HD2 . 17636 1 267 . 1 1 31 31 LEU HD22 H 1 0.633 0.020 . 2 . . . . 31 LEU HD2 . 17636 1 268 . 1 1 31 31 LEU HD23 H 1 0.633 0.020 . 2 . . . . 31 LEU HD2 . 17636 1 269 . 1 1 31 31 LEU C C 13 178.874 0.3 . 1 . . . . 31 LEU C . 17636 1 270 . 1 1 31 31 LEU CA C 13 58.291 0.3 . 1 . . . . 31 LEU CA . 17636 1 271 . 1 1 31 31 LEU CB C 13 40.815 0.3 . 1 . . . . 31 LEU CB . 17636 1 272 . 1 1 31 31 LEU CG C 13 27.312 0.3 . 1 . . . . 31 LEU CG . 17636 1 273 . 1 1 31 31 LEU CD1 C 13 23.402 0.3 . 1 . . . . 31 LEU CD1 . 17636 1 274 . 1 1 31 31 LEU CD2 C 13 25.836 0.3 . 1 . . . . 31 LEU CD2 . 17636 1 275 . 1 1 31 31 LEU N N 15 119.172 0.3 . 1 . . . . 31 LEU N . 17636 1 276 . 1 1 32 32 ARG H H 1 8.106 0.020 . 1 . . . . 32 ARG H . 17636 1 277 . 1 1 32 32 ARG HA H 1 3.741 0.020 . 1 . . . . 32 ARG HA . 17636 1 278 . 1 1 32 32 ARG HB2 H 1 1.820 0.020 . 1 . . . . 32 ARG HB2 . 17636 1 279 . 1 1 32 32 ARG HB3 H 1 1.820 0.020 . 1 . . . . 32 ARG HB3 . 17636 1 280 . 1 1 32 32 ARG HG2 H 1 1.434 0.020 . 1 . . . . 32 ARG HG2 . 17636 1 281 . 1 1 32 32 ARG HG3 H 1 1.434 0.020 . 1 . . . . 32 ARG HG3 . 17636 1 282 . 1 1 32 32 ARG HD2 H 1 3.021 0.020 . 1 . . . . 32 ARG HD2 . 17636 1 283 . 1 1 32 32 ARG HD3 H 1 3.021 0.020 . 1 . . . . 32 ARG HD3 . 17636 1 284 . 1 1 32 32 ARG C C 13 178.613 0.3 . 1 . . . . 32 ARG C . 17636 1 285 . 1 1 32 32 ARG CA C 13 59.814 0.3 . 1 . . . . 32 ARG CA . 17636 1 286 . 1 1 32 32 ARG CB C 13 28.648 0.3 . 1 . . . . 32 ARG CB . 17636 1 287 . 1 1 32 32 ARG CG C 13 27.164 0.3 . 1 . . . . 32 ARG CG . 17636 1 288 . 1 1 32 32 ARG CD C 13 43.134 0.3 . 1 . . . . 32 ARG CD . 17636 1 289 . 1 1 32 32 ARG N N 15 119.267 0.3 . 1 . . . . 32 ARG N . 17636 1 290 . 1 1 33 33 ASP H H 1 8.387 0.020 . 1 . . . . 33 ASP H . 17636 1 291 . 1 1 33 33 ASP HA H 1 4.262 0.020 . 1 . . . . 33 ASP HA . 17636 1 292 . 1 1 33 33 ASP HB2 H 1 2.770 0.020 . 2 . . . . 33 ASP HB2 . 17636 1 293 . 1 1 33 33 ASP HB3 H 1 2.499 0.020 . 2 . . . . 33 ASP HB3 . 17636 1 294 . 1 1 33 33 ASP CA C 13 57.435 0.3 . 1 . . . . 33 ASP CA . 17636 1 295 . 1 1 33 33 ASP CB C 13 39.801 0.3 . 1 . . . . 33 ASP CB . 17636 1 296 . 1 1 33 33 ASP N N 15 120.136 0.3 . 1 . . . . 33 ASP N . 17636 1 297 . 1 1 34 34 LEU H H 1 7.755 0.020 . 1 . . . . 34 LEU H . 17636 1 298 . 1 1 34 34 LEU HA H 1 3.813 0.020 . 1 . . . . 34 LEU HA . 17636 1 299 . 1 1 34 34 LEU HB2 H 1 2.092 0.020 . 2 . . . . 34 LEU HB2 . 17636 1 300 . 1 1 34 34 LEU HB3 H 1 1.821 0.020 . 2 . . . . 34 LEU HB3 . 17636 1 301 . 1 1 34 34 LEU HD11 H 1 0.847 0.020 . 2 . . . . 34 LEU HD1 . 17636 1 302 . 1 1 34 34 LEU HD12 H 1 0.847 0.020 . 2 . . . . 34 LEU HD1 . 17636 1 303 . 1 1 34 34 LEU HD13 H 1 0.847 0.020 . 2 . . . . 34 LEU HD1 . 17636 1 304 . 1 1 34 34 LEU HD21 H 1 0.692 0.020 . 2 . . . . 34 LEU HD2 . 17636 1 305 . 1 1 34 34 LEU HD22 H 1 0.692 0.020 . 2 . . . . 34 LEU HD2 . 17636 1 306 . 1 1 34 34 LEU HD23 H 1 0.692 0.020 . 2 . . . . 34 LEU HD2 . 17636 1 307 . 1 1 34 34 LEU C C 13 178.897 0.3 . 1 . . . . 34 LEU C . 17636 1 308 . 1 1 34 34 LEU CA C 13 57.870 0.3 . 1 . . . . 34 LEU CA . 17636 1 309 . 1 1 34 34 LEU CB C 13 41.066 0.3 . 1 . . . . 34 LEU CB . 17636 1 310 . 1 1 34 34 LEU CD1 C 13 26.455 0.3 . 1 . . . . 34 LEU CD1 . 17636 1 311 . 1 1 34 34 LEU CD2 C 13 22.291 0.3 . 1 . . . . 34 LEU CD2 . 17636 1 312 . 1 1 34 34 LEU N N 15 122.524 0.3 . 1 . . . . 34 LEU N . 17636 1 313 . 1 1 35 35 ILE H H 1 7.735 0.020 . 1 . . . . 35 ILE H . 17636 1 314 . 1 1 35 35 ILE HA H 1 3.143 0.020 . 1 . . . . 35 ILE HA . 17636 1 315 . 1 1 35 35 ILE HB H 1 1.540 0.020 . 1 . . . . 35 ILE HB . 17636 1 316 . 1 1 35 35 ILE HG12 H 1 1.503 0.020 . 1 . . . . 35 ILE HG12 . 17636 1 317 . 1 1 35 35 ILE HG13 H 1 1.503 0.020 . 1 . . . . 35 ILE HG13 . 17636 1 318 . 1 1 35 35 ILE HG21 H 1 0.546 0.020 . 1 . . . . 35 ILE HG2 . 17636 1 319 . 1 1 35 35 ILE HG22 H 1 0.546 0.020 . 1 . . . . 35 ILE HG2 . 17636 1 320 . 1 1 35 35 ILE HG23 H 1 0.546 0.020 . 1 . . . . 35 ILE HG2 . 17636 1 321 . 1 1 35 35 ILE HD11 H 1 -0.099 0.020 . 1 . . . . 35 ILE HD1 . 17636 1 322 . 1 1 35 35 ILE HD12 H 1 -0.099 0.020 . 1 . . . . 35 ILE HD1 . 17636 1 323 . 1 1 35 35 ILE HD13 H 1 -0.099 0.020 . 1 . . . . 35 ILE HD1 . 17636 1 324 . 1 1 35 35 ILE C C 13 177.096 0.3 . 1 . . . . 35 ILE C . 17636 1 325 . 1 1 35 35 ILE CA C 13 65.618 0.3 . 1 . . . . 35 ILE CA . 17636 1 326 . 1 1 35 35 ILE CB C 13 38.761 0.3 . 1 . . . . 35 ILE CB . 17636 1 327 . 1 1 35 35 ILE CG1 C 13 30.283 0.3 . 1 . . . . 35 ILE CG1 . 17636 1 328 . 1 1 35 35 ILE CG2 C 13 17.238 0.3 . 1 . . . . 35 ILE CG2 . 17636 1 329 . 1 1 35 35 ILE CD1 C 13 13.294 0.3 . 1 . . . . 35 ILE CD1 . 17636 1 330 . 1 1 35 35 ILE N N 15 119.674 0.3 . 1 . . . . 35 ILE N . 17636 1 331 . 1 1 36 36 GLU H H 1 8.605 0.020 . 1 . . . . 36 GLU H . 17636 1 332 . 1 1 36 36 GLU HA H 1 3.838 0.020 . 1 . . . . 36 GLU HA . 17636 1 333 . 1 1 36 36 GLU HB2 H 1 1.939 0.020 . 1 . . . . 36 GLU HB2 . 17636 1 334 . 1 1 36 36 GLU HB3 H 1 1.939 0.020 . 1 . . . . 36 GLU HB3 . 17636 1 335 . 1 1 36 36 GLU HG2 H 1 2.024 0.020 . 1 . . . . 36 GLU HG2 . 17636 1 336 . 1 1 36 36 GLU HG3 H 1 2.024 0.020 . 1 . . . . 36 GLU HG3 . 17636 1 337 . 1 1 36 36 GLU C C 13 178.826 0.3 . 1 . . . . 36 GLU C . 17636 1 338 . 1 1 36 36 GLU CA C 13 58.632 0.3 . 1 . . . . 36 GLU CA . 17636 1 339 . 1 1 36 36 GLU CB C 13 29.201 0.3 . 1 . . . . 36 GLU CB . 17636 1 340 . 1 1 36 36 GLU CG C 13 36.947 0.3 . 1 . . . . 36 GLU CG . 17636 1 341 . 1 1 36 36 GLU N N 15 116.015 0.3 . 1 . . . . 36 GLU N . 17636 1 342 . 1 1 37 37 GLY H H 1 7.806 0.020 . 1 . . . . 37 GLY H . 17636 1 343 . 1 1 37 37 GLY HA2 H 1 4.093 0.020 . 2 . . . . 37 GLY HA2 . 17636 1 344 . 1 1 37 37 GLY HA3 H 1 3.575 0.020 . 2 . . . . 37 GLY HA3 . 17636 1 345 . 1 1 37 37 GLY C C 13 173.020 0.3 . 1 . . . . 37 GLY C . 17636 1 346 . 1 1 37 37 GLY CA C 13 45.029 0.3 . 1 . . . . 37 GLY CA . 17636 1 347 . 1 1 37 37 GLY N N 15 104.752 0.3 . 1 . . . . 37 GLY N . 17636 1 348 . 1 1 38 38 ASN H H 1 6.780 0.020 . 1 . . . . 38 ASN H . 17636 1 349 . 1 1 38 38 ASN HA H 1 4.868 0.020 . 1 . . . . 38 ASN HA . 17636 1 350 . 1 1 38 38 ASN HB2 H 1 2.387 0.020 . 2 . . . . 38 ASN HB2 . 17636 1 351 . 1 1 38 38 ASN HB3 H 1 2.096 0.020 . 2 . . . . 38 ASN HB3 . 17636 1 352 . 1 1 38 38 ASN HD21 H 1 8.840 0.020 . 1 . . . . 38 ASN HD21 . 17636 1 353 . 1 1 38 38 ASN HD22 H 1 7.406 0.020 . 1 . . . . 38 ASN HD22 . 17636 1 354 . 1 1 38 38 ASN C C 13 172.617 0.3 . 1 . . . . 38 ASN C . 17636 1 355 . 1 1 38 38 ASN CA C 13 52.252 0.3 . 1 . . . . 38 ASN CA . 17636 1 356 . 1 1 38 38 ASN CB C 13 42.102 0.3 . 1 . . . . 38 ASN CB . 17636 1 357 . 1 1 38 38 ASN N N 15 117.288 0.3 . 1 . . . . 38 ASN N . 17636 1 358 . 1 1 38 38 ASN ND2 N 15 119.869 0.3 . 1 . . . . 38 ASN ND2 . 17636 1 359 . 1 1 39 39 ARG H H 1 8.634 0.020 . 1 . . . . 39 ARG H . 17636 1 360 . 1 1 39 39 ARG HA H 1 3.874 0.020 . 1 . . . . 39 ARG HA . 17636 1 361 . 1 1 39 39 ARG HB2 H 1 1.922 0.020 . 1 . . . . 39 ARG HB2 . 17636 1 362 . 1 1 39 39 ARG HB3 H 1 1.922 0.020 . 1 . . . . 39 ARG HB3 . 17636 1 363 . 1 1 39 39 ARG HG2 H 1 1.755 0.020 . 1 . . . . 39 ARG HG2 . 17636 1 364 . 1 1 39 39 ARG HG3 H 1 1.755 0.020 . 1 . . . . 39 ARG HG3 . 17636 1 365 . 1 1 39 39 ARG HD2 H 1 3.235 0.020 . 1 . . . . 39 ARG HD2 . 17636 1 366 . 1 1 39 39 ARG HD3 H 1 3.235 0.020 . 1 . . . . 39 ARG HD3 . 17636 1 367 . 1 1 39 39 ARG CA C 13 60.194 0.3 . 1 . . . . 39 ARG CA . 17636 1 368 . 1 1 39 39 ARG CB C 13 29.477 0.3 . 1 . . . . 39 ARG CB . 17636 1 369 . 1 1 39 39 ARG CG C 13 27.399 0.3 . 1 . . . . 39 ARG CG . 17636 1 370 . 1 1 39 39 ARG CD C 13 43.392 0.3 . 1 . . . . 39 ARG CD . 17636 1 371 . 1 1 39 39 ARG N N 15 126.433 0.3 . 1 . . . . 39 ARG N . 17636 1 372 . 1 1 40 40 VAL H H 1 8.435 0.020 . 1 . . . . 40 VAL H . 17636 1 373 . 1 1 40 40 VAL HA H 1 4.534 0.020 . 1 . . . . 40 VAL HA . 17636 1 374 . 1 1 40 40 VAL HB H 1 1.701 0.020 . 1 . . . . 40 VAL HB . 17636 1 375 . 1 1 40 40 VAL HG11 H 1 0.646 0.020 . 2 . . . . 40 VAL HG1 . 17636 1 376 . 1 1 40 40 VAL HG12 H 1 0.646 0.020 . 2 . . . . 40 VAL HG1 . 17636 1 377 . 1 1 40 40 VAL HG13 H 1 0.646 0.020 . 2 . . . . 40 VAL HG1 . 17636 1 378 . 1 1 40 40 VAL HG21 H 1 -0.165 0.020 . 2 . . . . 40 VAL HG2 . 17636 1 379 . 1 1 40 40 VAL HG22 H 1 -0.165 0.020 . 2 . . . . 40 VAL HG2 . 17636 1 380 . 1 1 40 40 VAL HG23 H 1 -0.165 0.020 . 2 . . . . 40 VAL HG2 . 17636 1 381 . 1 1 40 40 VAL CA C 13 61.907 0.3 . 1 . . . . 40 VAL CA . 17636 1 382 . 1 1 40 40 VAL CB C 13 32.980 0.3 . 1 . . . . 40 VAL CB . 17636 1 383 . 1 1 40 40 VAL CG1 C 13 22.222 0.3 . 1 . . . . 40 VAL CG1 . 17636 1 384 . 1 1 40 40 VAL CG2 C 13 20.691 0.3 . 1 . . . . 40 VAL CG2 . 17636 1 385 . 1 1 40 40 VAL N N 15 116.471 0.3 . 1 . . . . 40 VAL N . 17636 1 386 . 1 1 41 41 MET H H 1 8.956 0.020 . 1 . . . . 41 MET H . 17636 1 387 . 1 1 41 41 MET HA H 1 5.114 0.020 . 1 . . . . 41 MET HA . 17636 1 388 . 1 1 41 41 MET HB2 H 1 1.994 0.020 . 2 . . . . 41 MET HB2 . 17636 1 389 . 1 1 41 41 MET HB3 H 1 1.276 0.020 . 2 . . . . 41 MET HB3 . 17636 1 390 . 1 1 41 41 MET HG2 H 1 2.294 0.020 . 2 . . . . 41 MET HG2 . 17636 1 391 . 1 1 41 41 MET HG3 H 1 1.052 0.020 . 2 . . . . 41 MET HG3 . 17636 1 392 . 1 1 41 41 MET CA C 13 52.344 0.3 . 1 . . . . 41 MET CA . 17636 1 393 . 1 1 41 41 MET CB C 13 35.259 0.3 . 1 . . . . 41 MET CB . 17636 1 394 . 1 1 41 41 MET CG C 13 34.213 0.3 . 1 . . . . 41 MET CG . 17636 1 395 . 1 1 41 41 MET N N 15 128.552 0.3 . 1 . . . . 41 MET N . 17636 1 396 . 1 1 42 42 ILE H H 1 8.467 0.020 . 1 . . . . 42 ILE H . 17636 1 397 . 1 1 42 42 ILE HA H 1 4.487 0.020 . 1 . . . . 42 ILE HA . 17636 1 398 . 1 1 42 42 ILE HB H 1 1.708 0.020 . 1 . . . . 42 ILE HB . 17636 1 399 . 1 1 42 42 ILE HG12 H 1 1.339 0.020 . 1 . . . . 42 ILE HG12 . 17636 1 400 . 1 1 42 42 ILE HG13 H 1 1.339 0.020 . 1 . . . . 42 ILE HG13 . 17636 1 401 . 1 1 42 42 ILE HG21 H 1 0.580 0.020 . 1 . . . . 42 ILE HG2 . 17636 1 402 . 1 1 42 42 ILE HG22 H 1 0.580 0.020 . 1 . . . . 42 ILE HG2 . 17636 1 403 . 1 1 42 42 ILE HG23 H 1 0.580 0.020 . 1 . . . . 42 ILE HG2 . 17636 1 404 . 1 1 42 42 ILE HD11 H 1 0.138 0.020 . 1 . . . . 42 ILE HD1 . 17636 1 405 . 1 1 42 42 ILE HD12 H 1 0.138 0.020 . 1 . . . . 42 ILE HD1 . 17636 1 406 . 1 1 42 42 ILE HD13 H 1 0.138 0.020 . 1 . . . . 42 ILE HD1 . 17636 1 407 . 1 1 42 42 ILE C C 13 173.968 0.3 . 1 . . . . 42 ILE C . 17636 1 408 . 1 1 42 42 ILE CA C 13 60.670 0.3 . 1 . . . . 42 ILE CA . 17636 1 409 . 1 1 42 42 ILE CB C 13 40.052 0.3 . 1 . . . . 42 ILE CB . 17636 1 410 . 1 1 42 42 ILE CG1 C 13 27.029 0.3 . 1 . . . . 42 ILE CG1 . 17636 1 411 . 1 1 42 42 ILE CG2 C 13 16.279 0.3 . 1 . . . . 42 ILE CG2 . 17636 1 412 . 1 1 42 42 ILE CD1 C 13 14.020 0.3 . 1 . . . . 42 ILE CD1 . 17636 1 413 . 1 1 42 42 ILE N N 15 126.471 0.3 . 1 . . . . 42 ILE N . 17636 1 414 . 1 1 43 43 PHE H H 1 8.962 0.020 . 1 . . . . 43 PHE H . 17636 1 415 . 1 1 43 43 PHE HA H 1 4.940 0.020 . 1 . . . . 43 PHE HA . 17636 1 416 . 1 1 43 43 PHE HB2 H 1 3.236 0.020 . 2 . . . . 43 PHE HB2 . 17636 1 417 . 1 1 43 43 PHE HB3 H 1 2.812 0.020 . 2 . . . . 43 PHE HB3 . 17636 1 418 . 1 1 43 43 PHE HD1 H 1 7.329 0.020 . 1 . . . . 43 PHE HD1 . 17636 1 419 . 1 1 43 43 PHE HD2 H 1 7.329 0.020 . 1 . . . . 43 PHE HD2 . 17636 1 420 . 1 1 43 43 PHE HE1 H 1 6.901 0.020 . 1 . . . . 43 PHE HE1 . 17636 1 421 . 1 1 43 43 PHE HE2 H 1 6.901 0.020 . 1 . . . . 43 PHE HE2 . 17636 1 422 . 1 1 43 43 PHE HZ H 1 6.795 0.020 . 1 . . . . 43 PHE HZ . 17636 1 423 . 1 1 43 43 PHE CA C 13 57.958 0.3 . 1 . . . . 43 PHE CA . 17636 1 424 . 1 1 43 43 PHE CB C 13 39.536 0.3 . 1 . . . . 43 PHE CB . 17636 1 425 . 1 1 43 43 PHE CD1 C 13 129.735 0.3 . 1 . . . . 43 PHE CD1 . 17636 1 426 . 1 1 43 43 PHE CD2 C 13 129.735 0.3 . 1 . . . . 43 PHE CD2 . 17636 1 427 . 1 1 43 43 PHE CE1 C 13 130.657 0.3 . 1 . . . . 43 PHE CE1 . 17636 1 428 . 1 1 43 43 PHE CE2 C 13 130.657 0.3 . 1 . . . . 43 PHE CE2 . 17636 1 429 . 1 1 43 43 PHE CZ C 13 128.658 0.3 . 1 . . . . 43 PHE CZ . 17636 1 430 . 1 1 43 43 PHE N N 15 127.034 0.3 . 1 . . . . 43 PHE N . 17636 1 431 . 1 1 44 44 SER H H 1 8.688 0.020 . 1 . . . . 44 SER H . 17636 1 432 . 1 1 44 44 SER HA H 1 4.678 0.020 . 1 . . . . 44 SER HA . 17636 1 433 . 1 1 44 44 SER HB2 H 1 3.338 0.020 . 2 . . . . 44 SER HB2 . 17636 1 434 . 1 1 44 44 SER HB3 H 1 3.084 0.020 . 2 . . . . 44 SER HB3 . 17636 1 435 . 1 1 44 44 SER C C 13 173.636 0.3 . 1 . . . . 44 SER C . 17636 1 436 . 1 1 44 44 SER CA C 13 56.435 0.3 . 1 . . . . 44 SER CA . 17636 1 437 . 1 1 44 44 SER CB C 13 65.773 0.3 . 1 . . . . 44 SER CB . 17636 1 438 . 1 1 44 44 SER N N 15 121.121 0.3 . 1 . . . . 44 SER N . 17636 1 439 . 1 1 45 45 LYS H H 1 7.498 0.020 . 1 . . . . 45 LYS H . 17636 1 440 . 1 1 45 45 LYS HA H 1 4.685 0.020 . 1 . . . . 45 LYS HA . 17636 1 441 . 1 1 45 45 LYS HB2 H 1 1.085 0.020 . 2 . . . . 45 LYS HB2 . 17636 1 442 . 1 1 45 45 LYS HB3 H 1 0.875 0.020 . 2 . . . . 45 LYS HB3 . 17636 1 443 . 1 1 45 45 LYS HG2 H 1 1.708 0.020 . 2 . . . . 45 LYS HG2 . 17636 1 444 . 1 1 45 45 LYS HG3 H 1 1.524 0.020 . 2 . . . . 45 LYS HG3 . 17636 1 445 . 1 1 45 45 LYS HD2 H 1 1.429 0.020 . 2 . . . . 45 LYS HD2 . 17636 1 446 . 1 1 45 45 LYS HD3 H 1 1.319 0.020 . 2 . . . . 45 LYS HD3 . 17636 1 447 . 1 1 45 45 LYS HE2 H 1 2.746 0.020 . 1 . . . . 45 LYS HE2 . 17636 1 448 . 1 1 45 45 LYS HE3 H 1 2.746 0.020 . 1 . . . . 45 LYS HE3 . 17636 1 449 . 1 1 45 45 LYS C C 13 179.893 0.3 . 1 . . . . 45 LYS C . 17636 1 450 . 1 1 45 45 LYS CA C 13 57.054 0.3 . 1 . . . . 45 LYS CA . 17636 1 451 . 1 1 45 45 LYS CB C 13 37.161 0.3 . 1 . . . . 45 LYS CB . 17636 1 452 . 1 1 45 45 LYS CG C 13 29.737 0.3 . 1 . . . . 45 LYS CG . 17636 1 453 . 1 1 45 45 LYS CD C 13 28.191 0.3 . 1 . . . . 45 LYS CD . 17636 1 454 . 1 1 45 45 LYS CE C 13 42.432 0.3 . 1 . . . . 45 LYS CE . 17636 1 455 . 1 1 45 45 LYS N N 15 119.752 0.3 . 1 . . . . 45 LYS N . 17636 1 456 . 1 1 46 46 SER H H 1 9.949 0.020 . 1 . . . . 46 SER H . 17636 1 457 . 1 1 46 46 SER HA H 1 4.628 0.020 . 1 . . . . 46 SER HA . 17636 1 458 . 1 1 46 46 SER HB2 H 1 4.511 0.020 . 1 . . . . 46 SER HB2 . 17636 1 459 . 1 1 46 46 SER HB3 H 1 4.511 0.020 . 1 . . . . 46 SER HB3 . 17636 1 460 . 1 1 46 46 SER CA C 13 62.176 0.3 . 1 . . . . 46 SER CA . 17636 1 461 . 1 1 46 46 SER CB C 13 62.821 0.3 . 1 . . . . 46 SER CB . 17636 1 462 . 1 1 46 46 SER N N 15 122.751 0.3 . 1 . . . . 46 SER N . 17636 1 463 . 1 1 47 47 TYR H H 1 6.327 0.020 . 1 . . . . 47 TYR H . 17636 1 464 . 1 1 47 47 TYR HA H 1 4.644 0.020 . 1 . . . . 47 TYR HA . 17636 1 465 . 1 1 47 47 TYR HB2 H 1 3.344 0.020 . 2 . . . . 47 TYR HB2 . 17636 1 466 . 1 1 47 47 TYR HB3 H 1 2.694 0.020 . 2 . . . . 47 TYR HB3 . 17636 1 467 . 1 1 47 47 TYR HD1 H 1 6.903 0.020 . 1 . . . . 47 TYR HD1 . 17636 1 468 . 1 1 47 47 TYR HD2 H 1 6.903 0.020 . 1 . . . . 47 TYR HD2 . 17636 1 469 . 1 1 47 47 TYR HE1 H 1 6.762 0.020 . 1 . . . . 47 TYR HE1 . 17636 1 470 . 1 1 47 47 TYR HE2 H 1 6.762 0.020 . 1 . . . . 47 TYR HE2 . 17636 1 471 . 1 1 47 47 TYR CA C 13 54.485 0.3 . 1 . . . . 47 TYR CA . 17636 1 472 . 1 1 47 47 TYR CB C 13 37.661 0.3 . 1 . . . . 47 TYR CB . 17636 1 473 . 1 1 47 47 TYR CD1 C 13 131.037 0.3 . 1 . . . . 47 TYR CD1 . 17636 1 474 . 1 1 47 47 TYR CD2 C 13 131.037 0.3 . 1 . . . . 47 TYR CD2 . 17636 1 475 . 1 1 47 47 TYR CE1 C 13 115.920 0.3 . 1 . . . . 47 TYR CE1 . 17636 1 476 . 1 1 47 47 TYR CE2 C 13 115.920 0.3 . 1 . . . . 47 TYR CE2 . 17636 1 477 . 1 1 47 47 TYR N N 15 115.772 0.3 . 1 . . . . 47 TYR N . 17636 1 478 . 1 1 48 48 CYS H H 1 6.930 0.020 . 1 . . . . 48 CYS H . 17636 1 479 . 1 1 48 48 CYS HA H 1 4.576 0.020 . 1 . . . . 48 CYS HA . 17636 1 480 . 1 1 48 48 CYS HB2 H 1 2.931 0.020 . 2 . . . . 48 CYS HB2 . 17636 1 481 . 1 1 48 48 CYS HB3 H 1 2.547 0.020 . 2 . . . . 48 CYS HB3 . 17636 1 482 . 1 1 48 48 CYS C C 13 175.366 0.3 . 1 . . . . 48 CYS C . 17636 1 483 . 1 1 48 48 CYS CA C 13 56.721 0.3 . 1 . . . . 48 CYS CA . 17636 1 484 . 1 1 48 48 CYS CB C 13 29.705 0.3 . 1 . . . . 48 CYS CB . 17636 1 485 . 1 1 48 48 CYS N N 15 129.707 0.3 . 1 . . . . 48 CYS N . 17636 1 486 . 1 1 49 49 PRO HA H 1 4.363 0.020 . 1 . . . . 49 PRO HA . 17636 1 487 . 1 1 49 49 PRO HB2 H 1 2.193 0.020 . 2 . . . . 49 PRO HB2 . 17636 1 488 . 1 1 49 49 PRO HB3 H 1 1.684 0.020 . 2 . . . . 49 PRO HB3 . 17636 1 489 . 1 1 49 49 PRO HG2 H 1 1.974 0.020 . 1 . . . . 49 PRO HG2 . 17636 1 490 . 1 1 49 49 PRO HG3 H 1 1.974 0.020 . 1 . . . . 49 PRO HG3 . 17636 1 491 . 1 1 49 49 PRO HD2 H 1 3.561 0.020 . 1 . . . . 49 PRO HD2 . 17636 1 492 . 1 1 49 49 PRO HD3 H 1 3.561 0.020 . 1 . . . . 49 PRO HD3 . 17636 1 493 . 1 1 49 49 PRO C C 13 179.656 0.3 . 1 . . . . 49 PRO C . 17636 1 494 . 1 1 49 49 PRO CA C 13 64.151 0.3 . 1 . . . . 49 PRO CA . 17636 1 495 . 1 1 49 49 PRO CB C 13 32.053 0.3 . 1 . . . . 49 PRO CB . 17636 1 496 . 1 1 49 49 PRO CG C 13 27.272 0.3 . 1 . . . . 49 PRO CG . 17636 1 497 . 1 1 49 49 PRO CD C 13 50.547 0.3 . 1 . . . . 49 PRO CD . 17636 1 498 . 1 1 50 50 HIS H H 1 8.752 0.020 . 1 . . . . 50 HIS H . 17636 1 499 . 1 1 50 50 HIS HA H 1 4.423 0.020 . 1 . . . . 50 HIS HA . 17636 1 500 . 1 1 50 50 HIS HB2 H 1 3.041 0.020 . 1 . . . . 50 HIS HB2 . 17636 1 501 . 1 1 50 50 HIS HB3 H 1 3.041 0.020 . 1 . . . . 50 HIS HB3 . 17636 1 502 . 1 1 50 50 HIS HD2 H 1 7.135 0.020 . 1 . . . . 50 HIS HD2 . 17636 1 503 . 1 1 50 50 HIS HE1 H 1 7.975 0.020 . 1 . . . . 50 HIS HE1 . 17636 1 504 . 1 1 50 50 HIS C C 13 178.637 0.3 . 1 . . . . 50 HIS C . 17636 1 505 . 1 1 50 50 HIS CA C 13 59.354 0.3 . 1 . . . . 50 HIS CA . 17636 1 506 . 1 1 50 50 HIS CB C 13 30.799 0.3 . 1 . . . . 50 HIS CB . 17636 1 507 . 1 1 50 50 HIS CD2 C 13 129.077 0.3 . 1 . . . . 50 HIS CD2 . 17636 1 508 . 1 1 50 50 HIS CE1 C 13 135.220 0.3 . 1 . . . . 50 HIS CE1 . 17636 1 509 . 1 1 50 50 HIS N N 15 126.485 0.3 . 1 . . . . 50 HIS N . 17636 1 510 . 1 1 51 51 SER H H 1 10.451 0.020 . 1 . . . . 51 SER H . 17636 1 511 . 1 1 51 51 SER HA H 1 3.897 0.020 . 1 . . . . 51 SER HA . 17636 1 512 . 1 1 51 51 SER HB2 H 1 4.189 0.020 . 1 . . . . 51 SER HB2 . 17636 1 513 . 1 1 51 51 SER HB3 H 1 4.189 0.020 . 1 . . . . 51 SER HB3 . 17636 1 514 . 1 1 51 51 SER CA C 13 63.226 0.3 . 1 . . . . 51 SER CA . 17636 1 515 . 1 1 51 51 SER CB C 13 64.027 0.3 . 1 . . . . 51 SER CB . 17636 1 516 . 1 1 51 51 SER N N 15 127.998 0.3 . 1 . . . . 51 SER N . 17636 1 517 . 1 1 52 52 THR H H 1 8.256 0.020 . 1 . . . . 52 THR H . 17636 1 518 . 1 1 52 52 THR HA H 1 3.696 0.020 . 1 . . . . 52 THR HA . 17636 1 519 . 1 1 52 52 THR HB H 1 4.125 0.020 . 1 . . . . 52 THR HB . 17636 1 520 . 1 1 52 52 THR HG21 H 1 1.140 0.020 . 1 . . . . 52 THR HG2 . 17636 1 521 . 1 1 52 52 THR HG22 H 1 1.140 0.020 . 1 . . . . 52 THR HG2 . 17636 1 522 . 1 1 52 52 THR HG23 H 1 1.140 0.020 . 1 . . . . 52 THR HG2 . 17636 1 523 . 1 1 52 52 THR C C 13 175.295 0.3 . 1 . . . . 52 THR C . 17636 1 524 . 1 1 52 52 THR CA C 13 67.489 0.3 . 1 . . . . 52 THR CA . 17636 1 525 . 1 1 52 52 THR CB C 13 68.531 0.3 . 1 . . . . 52 THR CB . 17636 1 526 . 1 1 52 52 THR CG2 C 13 21.997 0.3 . 1 . . . . 52 THR CG2 . 17636 1 527 . 1 1 52 52 THR N N 15 119.965 0.3 . 1 . . . . 52 THR N . 17636 1 528 . 1 1 53 53 ARG H H 1 7.748 0.020 . 1 . . . . 53 ARG H . 17636 1 529 . 1 1 53 53 ARG HA H 1 4.104 0.020 . 1 . . . . 53 ARG HA . 17636 1 530 . 1 1 53 53 ARG HB2 H 1 2.074 0.020 . 2 . . . . 53 ARG HB2 . 17636 1 531 . 1 1 53 53 ARG HB3 H 1 1.964 0.020 . 2 . . . . 53 ARG HB3 . 17636 1 532 . 1 1 53 53 ARG HG2 H 1 1.813 0.020 . 2 . . . . 53 ARG HG2 . 17636 1 533 . 1 1 53 53 ARG HG3 H 1 1.666 0.020 . 2 . . . . 53 ARG HG3 . 17636 1 534 . 1 1 53 53 ARG HD2 H 1 3.048 0.020 . 2 . . . . 53 ARG HD2 . 17636 1 535 . 1 1 53 53 ARG HD3 H 1 3.003 0.020 . 2 . . . . 53 ARG HD3 . 17636 1 536 . 1 1 53 53 ARG C C 13 179.656 0.3 . 1 . . . . 53 ARG C . 17636 1 537 . 1 1 53 53 ARG CA C 13 59.861 0.3 . 1 . . . . 53 ARG CA . 17636 1 538 . 1 1 53 53 ARG CB C 13 30.195 0.3 . 1 . . . . 53 ARG CB . 17636 1 539 . 1 1 53 53 ARG CG C 13 27.921 0.3 . 1 . . . . 53 ARG CG . 17636 1 540 . 1 1 53 53 ARG CD C 13 43.309 0.3 . 1 . . . . 53 ARG CD . 17636 1 541 . 1 1 53 53 ARG N N 15 121.172 0.3 . 1 . . . . 53 ARG N . 17636 1 542 . 1 1 54 54 VAL H H 1 7.894 0.020 . 1 . . . . 54 VAL H . 17636 1 543 . 1 1 54 54 VAL HA H 1 3.618 0.020 . 1 . . . . 54 VAL HA . 17636 1 544 . 1 1 54 54 VAL HB H 1 2.123 0.020 . 1 . . . . 54 VAL HB . 17636 1 545 . 1 1 54 54 VAL C C 13 177.096 0.3 . 1 . . . . 54 VAL C . 17636 1 546 . 1 1 54 54 VAL CA C 13 66.307 0.3 . 1 . . . . 54 VAL CA . 17636 1 547 . 1 1 54 54 VAL CB C 13 31.523 0.3 . 1 . . . . 54 VAL CB . 17636 1 548 . 1 1 54 54 VAL CG1 C 13 23.457 0.3 . 1 . . . . 54 VAL CG1 . 17636 1 549 . 1 1 54 54 VAL N N 15 119.218 0.3 . 1 . . . . 54 VAL N . 17636 1 550 . 1 1 55 55 LYS H H 1 8.064 0.020 . 1 . . . . 55 LYS H . 17636 1 551 . 1 1 55 55 LYS HA H 1 3.319 0.020 . 1 . . . . 55 LYS HA . 17636 1 552 . 1 1 55 55 LYS HB2 H 1 1.941 0.020 . 1 . . . . 55 LYS HB2 . 17636 1 553 . 1 1 55 55 LYS HB3 H 1 1.941 0.020 . 1 . . . . 55 LYS HB3 . 17636 1 554 . 1 1 55 55 LYS C C 13 178.803 0.3 . 1 . . . . 55 LYS C . 17636 1 555 . 1 1 55 55 LYS CA C 13 60.908 0.3 . 1 . . . . 55 LYS CA . 17636 1 556 . 1 1 55 55 LYS CB C 13 32.493 0.3 . 1 . . . . 55 LYS CB . 17636 1 557 . 1 1 55 55 LYS CG C 13 25.746 0.3 . 1 . . . . 55 LYS CG . 17636 1 558 . 1 1 55 55 LYS CD C 13 31.025 0.3 . 1 . . . . 55 LYS CD . 17636 1 559 . 1 1 55 55 LYS CE C 13 41.331 0.3 . 1 . . . . 55 LYS CE . 17636 1 560 . 1 1 55 55 LYS N N 15 122.471 0.3 . 1 . . . . 55 LYS N . 17636 1 561 . 1 1 56 56 GLU H H 1 8.106 0.020 . 1 . . . . 56 GLU H . 17636 1 562 . 1 1 56 56 GLU HA H 1 3.919 0.020 . 1 . . . . 56 GLU HA . 17636 1 563 . 1 1 56 56 GLU HB2 H 1 2.100 0.020 . 1 . . . . 56 GLU HB2 . 17636 1 564 . 1 1 56 56 GLU HB3 H 1 2.100 0.020 . 1 . . . . 56 GLU HB3 . 17636 1 565 . 1 1 56 56 GLU HG2 H 1 2.421 0.020 . 1 . . . . 56 GLU HG2 . 17636 1 566 . 1 1 56 56 GLU HG3 H 1 2.421 0.020 . 1 . . . . 56 GLU HG3 . 17636 1 567 . 1 1 56 56 GLU C C 13 179.466 0.3 . 1 . . . . 56 GLU C . 17636 1 568 . 1 1 56 56 GLU CA C 13 58.980 0.3 . 1 . . . . 56 GLU CA . 17636 1 569 . 1 1 56 56 GLU CB C 13 29.083 0.3 . 1 . . . . 56 GLU CB . 17636 1 570 . 1 1 56 56 GLU CG C 13 36.667 0.3 . 1 . . . . 56 GLU CG . 17636 1 571 . 1 1 56 56 GLU N N 15 117.892 0.3 . 1 . . . . 56 GLU N . 17636 1 572 . 1 1 57 57 LEU H H 1 7.688 0.020 . 1 . . . . 57 LEU H . 17636 1 573 . 1 1 57 57 LEU HA H 1 3.916 0.020 . 1 . . . . 57 LEU HA . 17636 1 574 . 1 1 57 57 LEU HB2 H 1 1.595 0.020 . 2 . . . . 57 LEU HB2 . 17636 1 575 . 1 1 57 57 LEU HB3 H 1 1.222 0.020 . 2 . . . . 57 LEU HB3 . 17636 1 576 . 1 1 57 57 LEU HG H 1 0.277 0.020 . 1 . . . . 57 LEU HG . 17636 1 577 . 1 1 57 57 LEU HD11 H 1 -0.146 0.020 . 2 . . . . 57 LEU HD1 . 17636 1 578 . 1 1 57 57 LEU HD12 H 1 -0.146 0.020 . 2 . . . . 57 LEU HD1 . 17636 1 579 . 1 1 57 57 LEU HD13 H 1 -0.146 0.020 . 2 . . . . 57 LEU HD1 . 17636 1 580 . 1 1 57 57 LEU HD21 H 1 -0.501 0.020 . 2 . . . . 57 LEU HD2 . 17636 1 581 . 1 1 57 57 LEU HD22 H 1 -0.501 0.020 . 2 . . . . 57 LEU HD2 . 17636 1 582 . 1 1 57 57 LEU HD23 H 1 -0.501 0.020 . 2 . . . . 57 LEU HD2 . 17636 1 583 . 1 1 57 57 LEU C C 13 179.466 0.3 . 1 . . . . 57 LEU C . 17636 1 584 . 1 1 57 57 LEU CA C 13 57.875 0.3 . 1 . . . . 57 LEU CA . 17636 1 585 . 1 1 57 57 LEU CB C 13 40.063 0.3 . 1 . . . . 57 LEU CB . 17636 1 586 . 1 1 57 57 LEU CG C 13 26.774 0.3 . 1 . . . . 57 LEU CG . 17636 1 587 . 1 1 57 57 LEU CD1 C 13 20.742 0.3 . 1 . . . . 57 LEU CD1 . 17636 1 588 . 1 1 57 57 LEU CD2 C 13 24.258 0.3 . 1 . . . . 57 LEU CD2 . 17636 1 589 . 1 1 57 57 LEU N N 15 123.105 0.3 . 1 . . . . 57 LEU N . 17636 1 590 . 1 1 58 58 PHE H H 1 7.677 0.020 . 1 . . . . 58 PHE H . 17636 1 591 . 1 1 58 58 PHE HA H 1 3.847 0.020 . 1 . . . . 58 PHE HA . 17636 1 592 . 1 1 58 58 PHE HB2 H 1 2.967 0.020 . 2 . . . . 58 PHE HB2 . 17636 1 593 . 1 1 58 58 PHE HB3 H 1 2.385 0.020 . 2 . . . . 58 PHE HB3 . 17636 1 594 . 1 1 58 58 PHE HD1 H 1 6.910 0.020 . 1 . . . . 58 PHE HD1 . 17636 1 595 . 1 1 58 58 PHE HD2 H 1 6.910 0.020 . 1 . . . . 58 PHE HD2 . 17636 1 596 . 1 1 58 58 PHE HE1 H 1 6.793 0.020 . 1 . . . . 58 PHE HE1 . 17636 1 597 . 1 1 58 58 PHE HE2 H 1 6.793 0.020 . 1 . . . . 58 PHE HE2 . 17636 1 598 . 1 1 58 58 PHE HZ H 1 6.642 0.020 . 1 . . . . 58 PHE HZ . 17636 1 599 . 1 1 58 58 PHE C C 13 178.613 0.3 . 1 . . . . 58 PHE C . 17636 1 600 . 1 1 58 58 PHE CA C 13 64.036 0.3 . 1 . . . . 58 PHE CA . 17636 1 601 . 1 1 58 58 PHE CB C 13 38.202 0.3 . 1 . . . . 58 PHE CB . 17636 1 602 . 1 1 58 58 PHE CD1 C 13 128.658 0.3 . 1 . . . . 58 PHE CD1 . 17636 1 603 . 1 1 58 58 PHE CD2 C 13 128.658 0.3 . 1 . . . . 58 PHE CD2 . 17636 1 604 . 1 1 58 58 PHE CE1 C 13 127.750 0.3 . 1 . . . . 58 PHE CE1 . 17636 1 605 . 1 1 58 58 PHE CE2 C 13 127.750 0.3 . 1 . . . . 58 PHE CE2 . 17636 1 606 . 1 1 58 58 PHE CZ C 13 125.999 0.3 . 1 . . . . 58 PHE CZ . 17636 1 607 . 1 1 58 58 PHE N N 15 117.409 0.3 . 1 . . . . 58 PHE N . 17636 1 608 . 1 1 59 59 SER H H 1 8.735 0.020 . 1 . . . . 59 SER H . 17636 1 609 . 1 1 59 59 SER HA H 1 4.521 0.020 . 1 . . . . 59 SER HA . 17636 1 610 . 1 1 59 59 SER HB2 H 1 4.081 0.020 . 2 . . . . 59 SER HB2 . 17636 1 611 . 1 1 59 59 SER HB3 H 1 4.016 0.020 . 2 . . . . 59 SER HB3 . 17636 1 612 . 1 1 59 59 SER C C 13 178.613 0.3 . 1 . . . . 59 SER C . 17636 1 613 . 1 1 59 59 SER CA C 13 62.663 0.3 . 1 . . . . 59 SER CA . 17636 1 614 . 1 1 59 59 SER CB C 13 62.956 0.3 . 1 . . . . 59 SER CB . 17636 1 615 . 1 1 59 59 SER N N 15 116.122 0.3 . 1 . . . . 59 SER N . 17636 1 616 . 1 1 60 60 SER H H 1 8.456 0.020 . 1 . . . . 60 SER H . 17636 1 617 . 1 1 60 60 SER HA H 1 4.246 0.020 . 1 . . . . 60 SER HA . 17636 1 618 . 1 1 60 60 SER HB2 H 1 3.990 0.020 . 1 . . . . 60 SER HB2 . 17636 1 619 . 1 1 60 60 SER HB3 H 1 3.990 0.020 . 1 . . . . 60 SER HB3 . 17636 1 620 . 1 1 60 60 SER C C 13 175.556 0.3 . 1 . . . . 60 SER C . 17636 1 621 . 1 1 60 60 SER CA C 13 61.526 0.3 . 1 . . . . 60 SER CA . 17636 1 622 . 1 1 60 60 SER CB C 13 62.956 0.3 . 1 . . . . 60 SER CB . 17636 1 623 . 1 1 60 60 SER N N 15 120.833 0.3 . 1 . . . . 60 SER N . 17636 1 624 . 1 1 61 61 LEU H H 1 7.453 0.020 . 1 . . . . 61 LEU H . 17636 1 625 . 1 1 61 61 LEU HA H 1 4.289 0.020 . 1 . . . . 61 LEU HA . 17636 1 626 . 1 1 61 61 LEU HB2 H 1 1.825 0.020 . 2 . . . . 61 LEU HB2 . 17636 1 627 . 1 1 61 61 LEU HB3 H 1 1.615 0.020 . 2 . . . . 61 LEU HB3 . 17636 1 628 . 1 1 61 61 LEU HG H 1 1.591 0.020 . 1 . . . . 61 LEU HG . 17636 1 629 . 1 1 61 61 LEU HD11 H 1 0.720 0.020 . 2 . . . . 61 LEU HD1 . 17636 1 630 . 1 1 61 61 LEU HD12 H 1 0.720 0.020 . 2 . . . . 61 LEU HD1 . 17636 1 631 . 1 1 61 61 LEU HD13 H 1 0.720 0.020 . 2 . . . . 61 LEU HD1 . 17636 1 632 . 1 1 61 61 LEU HD21 H 1 0.349 0.020 . 2 . . . . 61 LEU HD2 . 17636 1 633 . 1 1 61 61 LEU HD22 H 1 0.349 0.020 . 2 . . . . 61 LEU HD2 . 17636 1 634 . 1 1 61 61 LEU HD23 H 1 0.349 0.020 . 2 . . . . 61 LEU HD2 . 17636 1 635 . 1 1 61 61 LEU C C 13 177.712 0.3 . 1 . . . . 61 LEU C . 17636 1 636 . 1 1 61 61 LEU CA C 13 54.907 0.3 . 1 . . . . 61 LEU CA . 17636 1 637 . 1 1 61 61 LEU CB C 13 42.909 0.3 . 1 . . . . 61 LEU CB . 17636 1 638 . 1 1 61 61 LEU CG C 13 25.743 0.3 . 1 . . . . 61 LEU CG . 17636 1 639 . 1 1 61 61 LEU CD1 C 13 21.880 0.3 . 1 . . . . 61 LEU CD1 . 17636 1 640 . 1 1 61 61 LEU CD2 C 13 25.099 0.3 . 1 . . . . 61 LEU CD2 . 17636 1 641 . 1 1 61 61 LEU N N 15 121.635 0.3 . 1 . . . . 61 LEU N . 17636 1 642 . 1 1 62 62 GLY H H 1 7.972 0.020 . 1 . . . . 62 GLY H . 17636 1 643 . 1 1 62 62 GLY HA2 H 1 3.971 0.020 . 2 . . . . 62 GLY HA2 . 17636 1 644 . 1 1 62 62 GLY HA3 H 1 3.830 0.020 . 2 . . . . 62 GLY HA3 . 17636 1 645 . 1 1 62 62 GLY C C 13 174.418 0.3 . 1 . . . . 62 GLY C . 17636 1 646 . 1 1 62 62 GLY CA C 13 46.107 0.3 . 1 . . . . 62 GLY CA . 17636 1 647 . 1 1 62 62 GLY N N 15 109.004 0.3 . 1 . . . . 62 GLY N . 17636 1 648 . 1 1 63 63 VAL H H 1 7.522 0.020 . 1 . . . . 63 VAL H . 17636 1 649 . 1 1 63 63 VAL HA H 1 4.175 0.020 . 1 . . . . 63 VAL HA . 17636 1 650 . 1 1 63 63 VAL HB H 1 2.117 0.020 . 1 . . . . 63 VAL HB . 17636 1 651 . 1 1 63 63 VAL HG11 H 1 0.955 0.020 . 2 . . . . 63 VAL HG1 . 17636 1 652 . 1 1 63 63 VAL HG12 H 1 0.955 0.020 . 2 . . . . 63 VAL HG1 . 17636 1 653 . 1 1 63 63 VAL HG13 H 1 0.955 0.020 . 2 . . . . 63 VAL HG1 . 17636 1 654 . 1 1 63 63 VAL HG21 H 1 0.887 0.020 . 2 . . . . 63 VAL HG2 . 17636 1 655 . 1 1 63 63 VAL HG22 H 1 0.887 0.020 . 2 . . . . 63 VAL HG2 . 17636 1 656 . 1 1 63 63 VAL HG23 H 1 0.887 0.020 . 2 . . . . 63 VAL HG2 . 17636 1 657 . 1 1 63 63 VAL C C 13 175.343 0.3 . 1 . . . . 63 VAL C . 17636 1 658 . 1 1 63 63 VAL CA C 13 60.605 0.3 . 1 . . . . 63 VAL CA . 17636 1 659 . 1 1 63 63 VAL CB C 13 33.810 0.3 . 1 . . . . 63 VAL CB . 17636 1 660 . 1 1 63 63 VAL CG1 C 13 21.706 0.3 . 1 . . . . 63 VAL CG1 . 17636 1 661 . 1 1 63 63 VAL CG2 C 13 22.145 0.3 . 1 . . . . 63 VAL CG2 . 17636 1 662 . 1 1 63 63 VAL N N 15 118.917 0.3 . 1 . . . . 63 VAL N . 17636 1 663 . 1 1 64 64 VAL H H 1 8.305 0.020 . 1 . . . . 64 VAL H . 17636 1 664 . 1 1 64 64 VAL HA H 1 3.770 0.020 . 1 . . . . 64 VAL HA . 17636 1 665 . 1 1 64 64 VAL HB H 1 1.848 0.020 . 1 . . . . 64 VAL HB . 17636 1 666 . 1 1 64 64 VAL HG11 H 1 0.889 0.020 . 2 . . . . 64 VAL HG1 . 17636 1 667 . 1 1 64 64 VAL HG12 H 1 0.889 0.020 . 2 . . . . 64 VAL HG1 . 17636 1 668 . 1 1 64 64 VAL HG13 H 1 0.889 0.020 . 2 . . . . 64 VAL HG1 . 17636 1 669 . 1 1 64 64 VAL HG21 H 1 0.734 0.020 . 2 . . . . 64 VAL HG2 . 17636 1 670 . 1 1 64 64 VAL HG22 H 1 0.734 0.020 . 2 . . . . 64 VAL HG2 . 17636 1 671 . 1 1 64 64 VAL HG23 H 1 0.734 0.020 . 2 . . . . 64 VAL HG2 . 17636 1 672 . 1 1 64 64 VAL C C 13 175.343 0.3 . 1 . . . . 64 VAL C . 17636 1 673 . 1 1 64 64 VAL CA C 13 63.096 0.3 . 1 . . . . 64 VAL CA . 17636 1 674 . 1 1 64 64 VAL CB C 13 31.593 0.3 . 1 . . . . 64 VAL CB . 17636 1 675 . 1 1 64 64 VAL CG1 C 13 21.372 0.3 . 1 . . . . 64 VAL CG1 . 17636 1 676 . 1 1 64 64 VAL CG2 C 13 20.900 0.3 . 1 . . . . 64 VAL CG2 . 17636 1 677 . 1 1 64 64 VAL N N 15 127.544 0.3 . 1 . . . . 64 VAL N . 17636 1 678 . 1 1 65 65 TYR H H 1 7.470 0.020 . 1 . . . . 65 TYR H . 17636 1 679 . 1 1 65 65 TYR HA H 1 5.058 0.020 . 1 . . . . 65 TYR HA . 17636 1 680 . 1 1 65 65 TYR HB2 H 1 2.456 0.020 . 2 . . . . 65 TYR HB2 . 17636 1 681 . 1 1 65 65 TYR HB3 H 1 2.151 0.020 . 2 . . . . 65 TYR HB3 . 17636 1 682 . 1 1 65 65 TYR HD1 H 1 6.697 0.020 . 1 . . . . 65 TYR HD1 . 17636 1 683 . 1 1 65 65 TYR HD2 H 1 6.697 0.020 . 1 . . . . 65 TYR HD2 . 17636 1 684 . 1 1 65 65 TYR HE1 H 1 6.610 0.020 . 1 . . . . 65 TYR HE1 . 17636 1 685 . 1 1 65 65 TYR HE2 H 1 6.610 0.020 . 1 . . . . 65 TYR HE2 . 17636 1 686 . 1 1 65 65 TYR C C 13 172.878 0.3 . 1 . . . . 65 TYR C . 17636 1 687 . 1 1 65 65 TYR CA C 13 54.389 0.3 . 1 . . . . 65 TYR CA . 17636 1 688 . 1 1 65 65 TYR CB C 13 41.460 0.3 . 1 . . . . 65 TYR CB . 17636 1 689 . 1 1 65 65 TYR CD1 C 13 131.565 0.3 . 1 . . . . 65 TYR CD1 . 17636 1 690 . 1 1 65 65 TYR CD2 C 13 131.565 0.3 . 1 . . . . 65 TYR CD2 . 17636 1 691 . 1 1 65 65 TYR CE1 C 13 114.935 0.3 . 1 . . . . 65 TYR CE1 . 17636 1 692 . 1 1 65 65 TYR CE2 C 13 114.935 0.3 . 1 . . . . 65 TYR CE2 . 17636 1 693 . 1 1 65 65 TYR N N 15 123.248 0.3 . 1 . . . . 65 TYR N . 17636 1 694 . 1 1 66 66 ASN H H 1 8.594 0.020 . 1 . . . . 66 ASN H . 17636 1 695 . 1 1 66 66 ASN HA H 1 4.935 0.020 . 1 . . . . 66 ASN HA . 17636 1 696 . 1 1 66 66 ASN HB2 H 1 2.812 0.020 . 2 . . . . 66 ASN HB2 . 17636 1 697 . 1 1 66 66 ASN HB3 H 1 2.417 0.020 . 2 . . . . 66 ASN HB3 . 17636 1 698 . 1 1 66 66 ASN HD21 H 1 6.890 0.020 . 1 . . . . 66 ASN HD21 . 17636 1 699 . 1 1 66 66 ASN HD22 H 1 6.546 0.020 . 1 . . . . 66 ASN HD22 . 17636 1 700 . 1 1 66 66 ASN C C 13 173.044 0.3 . 1 . . . . 66 ASN C . 17636 1 701 . 1 1 66 66 ASN CA C 13 50.841 0.3 . 1 . . . . 66 ASN CA . 17636 1 702 . 1 1 66 66 ASN CB C 13 41.092 0.3 . 1 . . . . 66 ASN CB . 17636 1 703 . 1 1 66 66 ASN N N 15 121.402 0.3 . 1 . . . . 66 ASN N . 17636 1 704 . 1 1 66 66 ASN ND2 N 15 110.312 0.3 . 1 . . . . 66 ASN ND2 . 17636 1 705 . 1 1 67 67 ILE H H 1 8.010 0.020 . 1 . . . . 67 ILE H . 17636 1 706 . 1 1 67 67 ILE HA H 1 5.254 0.020 . 1 . . . . 67 ILE HA . 17636 1 707 . 1 1 67 67 ILE HB H 1 1.515 0.020 . 1 . . . . 67 ILE HB . 17636 1 708 . 1 1 67 67 ILE HG12 H 1 1.367 0.020 . 1 . . . . 67 ILE HG12 . 17636 1 709 . 1 1 67 67 ILE HG13 H 1 1.370 0.020 . 1 . . . . 67 ILE HG13 . 17636 1 710 . 1 1 67 67 ILE HG21 H 1 0.796 0.020 . 1 . . . . 67 ILE HG2 . 17636 1 711 . 1 1 67 67 ILE HG22 H 1 0.796 0.020 . 1 . . . . 67 ILE HG2 . 17636 1 712 . 1 1 67 67 ILE HG23 H 1 0.796 0.020 . 1 . . . . 67 ILE HG2 . 17636 1 713 . 1 1 67 67 ILE HD11 H 1 0.842 0.020 . 1 . . . . 67 ILE HD1 . 17636 1 714 . 1 1 67 67 ILE HD12 H 1 0.842 0.020 . 1 . . . . 67 ILE HD1 . 17636 1 715 . 1 1 67 67 ILE HD13 H 1 0.842 0.020 . 1 . . . . 67 ILE HD1 . 17636 1 716 . 1 1 67 67 ILE C C 13 174.347 0.3 . 1 . . . . 67 ILE C . 17636 1 717 . 1 1 67 67 ILE CA C 13 58.097 0.3 . 1 . . . . 67 ILE CA . 17636 1 718 . 1 1 67 67 ILE CB C 13 42.843 0.3 . 1 . . . . 67 ILE CB . 17636 1 719 . 1 1 67 67 ILE CG1 C 13 28.032 0.3 . 1 . . . . 67 ILE CG1 . 17636 1 720 . 1 1 67 67 ILE CG2 C 13 17.782 0.3 . 1 . . . . 67 ILE CG2 . 17636 1 721 . 1 1 67 67 ILE CD1 C 13 15.142 0.3 . 1 . . . . 67 ILE CD1 . 17636 1 722 . 1 1 67 67 ILE N N 15 120.790 0.3 . 1 . . . . 67 ILE N . 17636 1 723 . 1 1 68 68 LEU H H 1 7.886 0.020 . 1 . . . . 68 LEU H . 17636 1 724 . 1 1 68 68 LEU HA H 1 4.388 0.020 . 1 . . . . 68 LEU HA . 17636 1 725 . 1 1 68 68 LEU HB2 H 1 1.619 0.020 . 2 . . . . 68 LEU HB2 . 17636 1 726 . 1 1 68 68 LEU HB3 H 1 0.971 0.020 . 2 . . . . 68 LEU HB3 . 17636 1 727 . 1 1 68 68 LEU HG H 1 1.340 0.020 . 1 . . . . 68 LEU HG . 17636 1 728 . 1 1 68 68 LEU HD11 H 1 0.883 0.020 . 1 . . . . 68 LEU HD1 . 17636 1 729 . 1 1 68 68 LEU HD12 H 1 0.883 0.020 . 1 . . . . 68 LEU HD1 . 17636 1 730 . 1 1 68 68 LEU HD13 H 1 0.883 0.020 . 1 . . . . 68 LEU HD1 . 17636 1 731 . 1 1 68 68 LEU C C 13 174.845 0.3 . 1 . . . . 68 LEU C . 17636 1 732 . 1 1 68 68 LEU CA C 13 54.770 0.3 . 1 . . . . 68 LEU CA . 17636 1 733 . 1 1 68 68 LEU CB C 13 44.956 0.3 . 1 . . . . 68 LEU CB . 17636 1 734 . 1 1 68 68 LEU CG C 13 27.805 0.3 . 1 . . . . 68 LEU CG . 17636 1 735 . 1 1 68 68 LEU CD1 C 13 25.115 0.3 . 1 . . . . 68 LEU CD1 . 17636 1 736 . 1 1 68 68 LEU N N 15 127.759 0.3 . 1 . . . . 68 LEU N . 17636 1 737 . 1 1 69 69 GLU H H 1 8.669 0.020 . 1 . . . . 69 GLU H . 17636 1 738 . 1 1 69 69 GLU HA H 1 4.964 0.020 . 1 . . . . 69 GLU HA . 17636 1 739 . 1 1 69 69 GLU HB2 H 1 1.974 0.020 . 2 . . . . 69 GLU HB2 . 17636 1 740 . 1 1 69 69 GLU HB3 H 1 1.701 0.020 . 2 . . . . 69 GLU HB3 . 17636 1 741 . 1 1 69 69 GLU C C 13 177.949 0.3 . 1 . . . . 69 GLU C . 17636 1 742 . 1 1 69 69 GLU CA C 13 53.200 0.3 . 1 . . . . 69 GLU CA . 17636 1 743 . 1 1 69 69 GLU CB C 13 27.293 0.3 . 1 . . . . 69 GLU CB . 17636 1 744 . 1 1 69 69 GLU N N 15 126.788 0.3 . 1 . . . . 69 GLU N . 17636 1 745 . 1 1 70 70 LEU H H 1 9.717 0.020 . 1 . . . . 70 LEU H . 17636 1 746 . 1 1 70 70 LEU HA H 1 3.838 0.020 . 1 . . . . 70 LEU HA . 17636 1 747 . 1 1 70 70 LEU HB2 H 1 1.659 0.020 . 1 . . . . 70 LEU HB2 . 17636 1 748 . 1 1 70 70 LEU HB3 H 1 1.659 0.020 . 1 . . . . 70 LEU HB3 . 17636 1 749 . 1 1 70 70 LEU HG H 1 1.884 0.020 . 1 . . . . 70 LEU HG . 17636 1 750 . 1 1 70 70 LEU HD11 H 1 0.975 0.020 . 2 . . . . 70 LEU HD1 . 17636 1 751 . 1 1 70 70 LEU HD12 H 1 0.975 0.020 . 2 . . . . 70 LEU HD1 . 17636 1 752 . 1 1 70 70 LEU HD13 H 1 0.975 0.020 . 2 . . . . 70 LEU HD1 . 17636 1 753 . 1 1 70 70 LEU HD21 H 1 0.841 0.020 . 2 . . . . 70 LEU HD2 . 17636 1 754 . 1 1 70 70 LEU HD22 H 1 0.841 0.020 . 2 . . . . 70 LEU HD2 . 17636 1 755 . 1 1 70 70 LEU HD23 H 1 0.841 0.020 . 2 . . . . 70 LEU HD2 . 17636 1 756 . 1 1 70 70 LEU C C 13 177.002 0.3 . 1 . . . . 70 LEU C . 17636 1 757 . 1 1 70 70 LEU CA C 13 58.719 0.3 . 1 . . . . 70 LEU CA . 17636 1 758 . 1 1 70 70 LEU CB C 13 41.737 0.3 . 1 . . . . 70 LEU CB . 17636 1 759 . 1 1 70 70 LEU CG C 13 29.911 0.3 . 1 . . . . 70 LEU CG . 17636 1 760 . 1 1 70 70 LEU CD1 C 13 25.944 0.3 . 1 . . . . 70 LEU CD1 . 17636 1 761 . 1 1 70 70 LEU CD2 C 13 24.791 0.3 . 1 . . . . 70 LEU CD2 . 17636 1 762 . 1 1 70 70 LEU N N 15 127.500 0.3 . 1 . . . . 70 LEU N . 17636 1 763 . 1 1 71 71 ASP H H 1 9.635 0.020 . 1 . . . . 71 ASP H . 17636 1 764 . 1 1 71 71 ASP HA H 1 4.618 0.020 . 1 . . . . 71 ASP HA . 17636 1 765 . 1 1 71 71 ASP HB2 H 1 3.000 0.020 . 2 . . . . 71 ASP HB2 . 17636 1 766 . 1 1 71 71 ASP HB3 H 1 2.602 0.020 . 2 . . . . 71 ASP HB3 . 17636 1 767 . 1 1 71 71 ASP CA C 13 54.247 0.3 . 1 . . . . 71 ASP CA . 17636 1 768 . 1 1 71 71 ASP CB C 13 39.781 0.3 . 1 . . . . 71 ASP CB . 17636 1 769 . 1 1 71 71 ASP N N 15 112.113 0.3 . 1 . . . . 71 ASP N . 17636 1 770 . 1 1 72 72 GLN H H 1 7.715 0.020 . 1 . . . . 72 GLN H . 17636 1 771 . 1 1 72 72 GLN HA H 1 4.457 0.020 . 1 . . . . 72 GLN HA . 17636 1 772 . 1 1 72 72 GLN HB2 H 1 2.304 0.020 . 2 . . . . 72 GLN HB2 . 17636 1 773 . 1 1 72 72 GLN HB3 H 1 1.896 0.020 . 2 . . . . 72 GLN HB3 . 17636 1 774 . 1 1 72 72 GLN HG2 H 1 2.162 0.020 . 1 . . . . 72 GLN HG2 . 17636 1 775 . 1 1 72 72 GLN HG3 H 1 2.162 0.020 . 1 . . . . 72 GLN HG3 . 17636 1 776 . 1 1 72 72 GLN HE21 H 1 7.092 0.020 . 1 . . . . 72 GLN HE21 . 17636 1 777 . 1 1 72 72 GLN HE22 H 1 6.874 0.020 . 1 . . . . 72 GLN HE22 . 17636 1 778 . 1 1 72 72 GLN C C 13 175.746 0.3 . 1 . . . . 72 GLN C . 17636 1 779 . 1 1 72 72 GLN CA C 13 55.151 0.3 . 1 . . . . 72 GLN CA . 17636 1 780 . 1 1 72 72 GLN CB C 13 29.293 0.3 . 1 . . . . 72 GLN CB . 17636 1 781 . 1 1 72 72 GLN CG C 13 33.423 0.3 . 1 . . . . 72 GLN CG . 17636 1 782 . 1 1 72 72 GLN N N 15 117.662 0.3 . 1 . . . . 72 GLN N . 17636 1 783 . 1 1 72 72 GLN NE2 N 15 112.213 0.3 . 1 . . . . 72 GLN NE2 . 17636 1 784 . 1 1 73 73 VAL H H 1 7.029 0.020 . 1 . . . . 73 VAL H . 17636 1 785 . 1 1 73 73 VAL HA H 1 4.485 0.020 . 1 . . . . 73 VAL HA . 17636 1 786 . 1 1 73 73 VAL HB H 1 2.227 0.020 . 1 . . . . 73 VAL HB . 17636 1 787 . 1 1 73 73 VAL HG11 H 1 0.901 0.020 . 2 . . . . 73 VAL HG1 . 17636 1 788 . 1 1 73 73 VAL HG12 H 1 0.901 0.020 . 2 . . . . 73 VAL HG1 . 17636 1 789 . 1 1 73 73 VAL HG13 H 1 0.901 0.020 . 2 . . . . 73 VAL HG1 . 17636 1 790 . 1 1 73 73 VAL HG21 H 1 0.930 0.020 . 2 . . . . 73 VAL HG2 . 17636 1 791 . 1 1 73 73 VAL HG22 H 1 0.930 0.020 . 2 . . . . 73 VAL HG2 . 17636 1 792 . 1 1 73 73 VAL HG23 H 1 0.930 0.020 . 2 . . . . 73 VAL HG2 . 17636 1 793 . 1 1 73 73 VAL C C 13 175.982 0.3 . 1 . . . . 73 VAL C . 17636 1 794 . 1 1 73 73 VAL CA C 13 59.875 0.3 . 1 . . . . 73 VAL CA . 17636 1 795 . 1 1 73 73 VAL CB C 13 33.441 0.3 . 1 . . . . 73 VAL CB . 17636 1 796 . 1 1 73 73 VAL CG1 C 13 18.818 0.3 . 1 . . . . 73 VAL CG1 . 17636 1 797 . 1 1 73 73 VAL CG2 C 13 18.922 0.3 . 1 . . . . 73 VAL CG2 . 17636 1 798 . 1 1 73 73 VAL N N 15 114.309 0.3 . 1 . . . . 73 VAL N . 17636 1 799 . 1 1 74 74 ASP H H 1 8.632 0.020 . 1 . . . . 74 ASP H . 17636 1 800 . 1 1 74 74 ASP HA H 1 4.333 0.020 . 1 . . . . 74 ASP HA . 17636 1 801 . 1 1 74 74 ASP HB2 H 1 2.558 0.020 . 1 . . . . 74 ASP HB2 . 17636 1 802 . 1 1 74 74 ASP HB3 H 1 2.558 0.020 . 1 . . . . 74 ASP HB3 . 17636 1 803 . 1 1 74 74 ASP CA C 13 56.209 0.3 . 1 . . . . 74 ASP CA . 17636 1 804 . 1 1 74 74 ASP CB C 13 40.631 0.3 . 1 . . . . 74 ASP CB . 17636 1 805 . 1 1 74 74 ASP N N 15 124.240 0.3 . 1 . . . . 74 ASP N . 17636 1 806 . 1 1 75 75 ASP H H 1 8.617 0.020 . 1 . . . . 75 ASP H . 17636 1 807 . 1 1 75 75 ASP HA H 1 4.676 0.020 . 1 . . . . 75 ASP HA . 17636 1 808 . 1 1 75 75 ASP HB2 H 1 2.762 0.020 . 2 . . . . 75 ASP HB2 . 17636 1 809 . 1 1 75 75 ASP HB3 H 1 2.616 0.020 . 2 . . . . 75 ASP HB3 . 17636 1 810 . 1 1 75 75 ASP C C 13 177.191 0.3 . 1 . . . . 75 ASP C . 17636 1 811 . 1 1 75 75 ASP CA C 13 52.962 0.3 . 1 . . . . 75 ASP CA . 17636 1 812 . 1 1 75 75 ASP CB C 13 38.873 0.3 . 1 . . . . 75 ASP CB . 17636 1 813 . 1 1 75 75 ASP N N 15 118.873 0.3 . 1 . . . . 75 ASP N . 17636 1 814 . 1 1 76 76 GLY H H 1 8.068 0.020 . 1 . . . . 76 GLY H . 17636 1 815 . 1 1 76 76 GLY HA2 H 1 4.262 0.020 . 2 . . . . 76 GLY HA2 . 17636 1 816 . 1 1 76 76 GLY HA3 H 1 3.431 0.020 . 2 . . . . 76 GLY HA3 . 17636 1 817 . 1 1 76 76 GLY C C 13 176.006 0.3 . 1 . . . . 76 GLY C . 17636 1 818 . 1 1 76 76 GLY CA C 13 48.163 0.3 . 1 . . . . 76 GLY CA . 17636 1 819 . 1 1 76 76 GLY N N 15 108.516 0.3 . 1 . . . . 76 GLY N . 17636 1 820 . 1 1 77 77 ALA H H 1 8.692 0.020 . 1 . . . . 77 ALA H . 17636 1 821 . 1 1 77 77 ALA HA H 1 4.169 0.020 . 1 . . . . 77 ALA HA . 17636 1 822 . 1 1 77 77 ALA HB1 H 1 1.405 0.020 . 1 . . . . 77 ALA HB . 17636 1 823 . 1 1 77 77 ALA HB2 H 1 1.405 0.020 . 1 . . . . 77 ALA HB . 17636 1 824 . 1 1 77 77 ALA HB3 H 1 1.405 0.020 . 1 . . . . 77 ALA HB . 17636 1 825 . 1 1 77 77 ALA CA C 13 55.247 0.3 . 1 . . . . 77 ALA CA . 17636 1 826 . 1 1 77 77 ALA CB C 13 17.495 0.3 . 1 . . . . 77 ALA CB . 17636 1 827 . 1 1 77 77 ALA N N 15 124.397 0.3 . 1 . . . . 77 ALA N . 17636 1 828 . 1 1 78 78 SER H H 1 7.666 0.020 . 1 . . . . 78 SER H . 17636 1 829 . 1 1 78 78 SER HA H 1 4.155 0.020 . 1 . . . . 78 SER HA . 17636 1 830 . 1 1 78 78 SER HB2 H 1 3.822 0.020 . 2 . . . . 78 SER HB2 . 17636 1 831 . 1 1 78 78 SER HB3 H 1 3.656 0.020 . 2 . . . . 78 SER HB3 . 17636 1 832 . 1 1 78 78 SER CA C 13 61.746 0.3 . 1 . . . . 78 SER CA . 17636 1 833 . 1 1 78 78 SER CB C 13 62.859 0.3 . 1 . . . . 78 SER CB . 17636 1 834 . 1 1 78 78 SER N N 15 116.806 0.3 . 1 . . . . 78 SER N . 17636 1 835 . 1 1 79 79 VAL H H 1 7.976 0.020 . 1 . . . . 79 VAL H . 17636 1 836 . 1 1 79 79 VAL HA H 1 3.325 0.020 . 1 . . . . 79 VAL HA . 17636 1 837 . 1 1 79 79 VAL HB H 1 2.178 0.020 . 1 . . . . 79 VAL HB . 17636 1 838 . 1 1 79 79 VAL HG11 H 1 0.960 0.020 . 2 . . . . 79 VAL HG1 . 17636 1 839 . 1 1 79 79 VAL HG12 H 1 0.960 0.020 . 2 . . . . 79 VAL HG1 . 17636 1 840 . 1 1 79 79 VAL HG13 H 1 0.960 0.020 . 2 . . . . 79 VAL HG1 . 17636 1 841 . 1 1 79 79 VAL HG21 H 1 0.777 0.020 . 2 . . . . 79 VAL HG2 . 17636 1 842 . 1 1 79 79 VAL HG22 H 1 0.777 0.020 . 2 . . . . 79 VAL HG2 . 17636 1 843 . 1 1 79 79 VAL HG23 H 1 0.777 0.020 . 2 . . . . 79 VAL HG2 . 17636 1 844 . 1 1 79 79 VAL C C 13 177.499 0.3 . 1 . . . . 79 VAL C . 17636 1 845 . 1 1 79 79 VAL CA C 13 66.997 0.3 . 1 . . . . 79 VAL CA . 17636 1 846 . 1 1 79 79 VAL CB C 13 30.742 0.3 . 1 . . . . 79 VAL CB . 17636 1 847 . 1 1 79 79 VAL CG1 C 13 23.092 0.3 . 1 . . . . 79 VAL CG1 . 17636 1 848 . 1 1 79 79 VAL CG2 C 13 22.554 0.3 . 1 . . . . 79 VAL CG2 . 17636 1 849 . 1 1 79 79 VAL N N 15 122.267 0.3 . 1 . . . . 79 VAL N . 17636 1 850 . 1 1 80 80 GLN H H 1 8.274 0.020 . 1 . . . . 80 GLN H . 17636 1 851 . 1 1 80 80 GLN HA H 1 3.728 0.020 . 1 . . . . 80 GLN HA . 17636 1 852 . 1 1 80 80 GLN HB2 H 1 2.150 0.020 . 2 . . . . 80 GLN HB2 . 17636 1 853 . 1 1 80 80 GLN HB3 H 1 2.035 0.020 . 2 . . . . 80 GLN HB3 . 17636 1 854 . 1 1 80 80 GLN HG2 H 1 2.234 0.020 . 1 . . . . 80 GLN HG2 . 17636 1 855 . 1 1 80 80 GLN HG3 H 1 2.234 0.020 . 1 . . . . 80 GLN HG3 . 17636 1 856 . 1 1 80 80 GLN HE21 H 1 6.852 0.020 . 1 . . . . 80 GLN HE21 . 17636 1 857 . 1 1 80 80 GLN HE22 H 1 5.617 0.020 . 1 . . . . 80 GLN HE22 . 17636 1 858 . 1 1 80 80 GLN C C 13 177.902 0.3 . 1 . . . . 80 GLN C . 17636 1 859 . 1 1 80 80 GLN CA C 13 58.814 0.3 . 1 . . . . 80 GLN CA . 17636 1 860 . 1 1 80 80 GLN CB C 13 28.463 0.3 . 1 . . . . 80 GLN CB . 17636 1 861 . 1 1 80 80 GLN CG C 13 33.934 0.3 . 1 . . . . 80 GLN CG . 17636 1 862 . 1 1 80 80 GLN N N 15 118.470 0.3 . 1 . . . . 80 GLN N . 17636 1 863 . 1 1 80 80 GLN NE2 N 15 111.211 0.3 . 1 . . . . 80 GLN NE2 . 17636 1 864 . 1 1 81 81 GLU H H 1 7.744 0.020 . 1 . . . . 81 GLU H . 17636 1 865 . 1 1 81 81 GLU HA H 1 3.965 0.020 . 1 . . . . 81 GLU HA . 17636 1 866 . 1 1 81 81 GLU HB2 H 1 2.172 0.020 . 2 . . . . 81 GLU HB2 . 17636 1 867 . 1 1 81 81 GLU HB3 H 1 2.045 0.020 . 2 . . . . 81 GLU HB3 . 17636 1 868 . 1 1 81 81 GLU HG2 H 1 2.432 0.020 . 1 . . . . 81 GLU HG2 . 17636 1 869 . 1 1 81 81 GLU HG3 H 1 2.432 0.020 . 1 . . . . 81 GLU HG3 . 17636 1 870 . 1 1 81 81 GLU C C 13 179.774 0.3 . 1 . . . . 81 GLU C . 17636 1 871 . 1 1 81 81 GLU CA C 13 59.968 0.3 . 1 . . . . 81 GLU CA . 17636 1 872 . 1 1 81 81 GLU CB C 13 29.474 0.3 . 1 . . . . 81 GLU CB . 17636 1 873 . 1 1 81 81 GLU CG C 13 36.566 0.3 . 1 . . . . 81 GLU CG . 17636 1 874 . 1 1 81 81 GLU N N 15 120.321 0.3 . 1 . . . . 81 GLU N . 17636 1 875 . 1 1 82 82 VAL H H 1 7.837 0.020 . 1 . . . . 82 VAL H . 17636 1 876 . 1 1 82 82 VAL HA H 1 3.609 0.020 . 1 . . . . 82 VAL HA . 17636 1 877 . 1 1 82 82 VAL HB H 1 1.829 0.020 . 1 . . . . 82 VAL HB . 17636 1 878 . 1 1 82 82 VAL HG11 H 1 1.018 0.020 . 2 . . . . 82 VAL HG1 . 17636 1 879 . 1 1 82 82 VAL HG12 H 1 1.018 0.020 . 2 . . . . 82 VAL HG1 . 17636 1 880 . 1 1 82 82 VAL HG13 H 1 1.018 0.020 . 2 . . . . 82 VAL HG1 . 17636 1 881 . 1 1 82 82 VAL HG21 H 1 0.927 0.020 . 2 . . . . 82 VAL HG2 . 17636 1 882 . 1 1 82 82 VAL HG22 H 1 0.927 0.020 . 2 . . . . 82 VAL HG2 . 17636 1 883 . 1 1 82 82 VAL HG23 H 1 0.927 0.020 . 2 . . . . 82 VAL HG2 . 17636 1 884 . 1 1 82 82 VAL C C 13 177.618 0.3 . 1 . . . . 82 VAL C . 17636 1 885 . 1 1 82 82 VAL CA C 13 66.163 0.3 . 1 . . . . 82 VAL CA . 17636 1 886 . 1 1 82 82 VAL CB C 13 30.860 0.3 . 1 . . . . 82 VAL CB . 17636 1 887 . 1 1 82 82 VAL CG1 C 13 23.176 0.3 . 1 . . . . 82 VAL CG1 . 17636 1 888 . 1 1 82 82 VAL CG2 C 13 22.464 0.3 . 1 . . . . 82 VAL CG2 . 17636 1 889 . 1 1 82 82 VAL N N 15 120.828 0.3 . 1 . . . . 82 VAL N . 17636 1 890 . 1 1 83 83 LEU H H 1 8.674 0.020 . 1 . . . . 83 LEU H . 17636 1 891 . 1 1 83 83 LEU HA H 1 3.720 0.020 . 1 . . . . 83 LEU HA . 17636 1 892 . 1 1 83 83 LEU HB2 H 1 1.430 0.020 . 2 . . . . 83 LEU HB2 . 17636 1 893 . 1 1 83 83 LEU HB3 H 1 1.312 0.020 . 2 . . . . 83 LEU HB3 . 17636 1 894 . 1 1 83 83 LEU HG H 1 1.152 0.020 . 1 . . . . 83 LEU HG . 17636 1 895 . 1 1 83 83 LEU HD11 H 1 0.149 0.020 . 2 . . . . 83 LEU HD1 . 17636 1 896 . 1 1 83 83 LEU HD12 H 1 0.149 0.020 . 2 . . . . 83 LEU HD1 . 17636 1 897 . 1 1 83 83 LEU HD13 H 1 0.149 0.020 . 2 . . . . 83 LEU HD1 . 17636 1 898 . 1 1 83 83 LEU HD21 H 1 0.090 0.020 . 2 . . . . 83 LEU HD2 . 17636 1 899 . 1 1 83 83 LEU HD22 H 1 0.090 0.020 . 2 . . . . 83 LEU HD2 . 17636 1 900 . 1 1 83 83 LEU HD23 H 1 0.090 0.020 . 2 . . . . 83 LEU HD2 . 17636 1 901 . 1 1 83 83 LEU C C 13 181.362 0.3 . 1 . . . . 83 LEU C . 17636 1 902 . 1 1 83 83 LEU CA C 13 57.772 0.3 . 1 . . . . 83 LEU CA . 17636 1 903 . 1 1 83 83 LEU CB C 13 41.184 0.3 . 1 . . . . 83 LEU CB . 17636 1 904 . 1 1 83 83 LEU CG C 13 26.418 0.3 . 1 . . . . 83 LEU CG . 17636 1 905 . 1 1 83 83 LEU CD1 C 13 23.009 0.3 . 1 . . . . 83 LEU CD1 . 17636 1 906 . 1 1 83 83 LEU CD2 C 13 24.412 0.3 . 1 . . . . 83 LEU CD2 . 17636 1 907 . 1 1 83 83 LEU N N 15 122.749 0.3 . 1 . . . . 83 LEU N . 17636 1 908 . 1 1 84 84 THR H H 1 8.720 0.020 . 1 . . . . 84 THR H . 17636 1 909 . 1 1 84 84 THR HA H 1 3.771 0.020 . 1 . . . . 84 THR HA . 17636 1 910 . 1 1 84 84 THR HB H 1 4.161 0.020 . 1 . . . . 84 THR HB . 17636 1 911 . 1 1 84 84 THR HG21 H 1 0.966 0.020 . 1 . . . . 84 THR HG2 . 17636 1 912 . 1 1 84 84 THR HG22 H 1 0.966 0.020 . 1 . . . . 84 THR HG2 . 17636 1 913 . 1 1 84 84 THR HG23 H 1 0.966 0.020 . 1 . . . . 84 THR HG2 . 17636 1 914 . 1 1 84 84 THR C C 13 176.219 0.3 . 1 . . . . 84 THR C . 17636 1 915 . 1 1 84 84 THR CA C 13 66.670 0.3 . 1 . . . . 84 THR CA . 17636 1 916 . 1 1 84 84 THR CB C 13 68.298 0.3 . 1 . . . . 84 THR CB . 17636 1 917 . 1 1 84 84 THR CG2 C 13 22.811 0.3 . 1 . . . . 84 THR CG2 . 17636 1 918 . 1 1 84 84 THR N N 15 122.510 0.3 . 1 . . . . 84 THR N . 17636 1 919 . 1 1 85 85 GLU H H 1 7.574 0.020 . 1 . . . . 85 GLU H . 17636 1 920 . 1 1 85 85 GLU HA H 1 3.910 0.020 . 1 . . . . 85 GLU HA . 17636 1 921 . 1 1 85 85 GLU HB2 H 1 2.227 0.020 . 2 . . . . 85 GLU HB2 . 17636 1 922 . 1 1 85 85 GLU HB3 H 1 2.117 0.020 . 2 . . . . 85 GLU HB3 . 17636 1 923 . 1 1 85 85 GLU HG2 H 1 2.129 0.020 . 1 . . . . 85 GLU HG2 . 17636 1 924 . 1 1 85 85 GLU HG3 H 1 2.129 0.020 . 1 . . . . 85 GLU HG3 . 17636 1 925 . 1 1 85 85 GLU C C 13 179.040 0.3 . 1 . . . . 85 GLU C . 17636 1 926 . 1 1 85 85 GLU CA C 13 59.694 0.3 . 1 . . . . 85 GLU CA . 17636 1 927 . 1 1 85 85 GLU CB C 13 29.451 0.3 . 1 . . . . 85 GLU CB . 17636 1 928 . 1 1 85 85 GLU CG C 13 36.540 0.3 . 1 . . . . 85 GLU CG . 17636 1 929 . 1 1 85 85 GLU N N 15 124.180 0.3 . 1 . . . . 85 GLU N . 17636 1 930 . 1 1 86 86 ILE H H 1 8.072 0.020 . 1 . . . . 86 ILE H . 17636 1 931 . 1 1 86 86 ILE HA H 1 3.890 0.020 . 1 . . . . 86 ILE HA . 17636 1 932 . 1 1 86 86 ILE HB H 1 1.732 0.020 . 1 . . . . 86 ILE HB . 17636 1 933 . 1 1 86 86 ILE HG12 H 1 1.510 0.020 . 2 . . . . 86 ILE HG12 . 17636 1 934 . 1 1 86 86 ILE HG13 H 1 1.098 0.020 . 2 . . . . 86 ILE HG13 . 17636 1 935 . 1 1 86 86 ILE HG21 H 1 0.740 0.020 . 1 . . . . 86 ILE HG2 . 17636 1 936 . 1 1 86 86 ILE HG22 H 1 0.740 0.020 . 1 . . . . 86 ILE HG2 . 17636 1 937 . 1 1 86 86 ILE HG23 H 1 0.740 0.020 . 1 . . . . 86 ILE HG2 . 17636 1 938 . 1 1 86 86 ILE HD11 H 1 0.533 0.020 . 1 . . . . 86 ILE HD1 . 17636 1 939 . 1 1 86 86 ILE HD12 H 1 0.533 0.020 . 1 . . . . 86 ILE HD1 . 17636 1 940 . 1 1 86 86 ILE HD13 H 1 0.533 0.020 . 1 . . . . 86 ILE HD1 . 17636 1 941 . 1 1 86 86 ILE C C 13 177.215 0.3 . 1 . . . . 86 ILE C . 17636 1 942 . 1 1 86 86 ILE CA C 13 63.849 0.3 . 1 . . . . 86 ILE CA . 17636 1 943 . 1 1 86 86 ILE CB C 13 39.187 0.3 . 1 . . . . 86 ILE CB . 17636 1 944 . 1 1 86 86 ILE CG1 C 13 27.619 0.3 . 1 . . . . 86 ILE CG1 . 17636 1 945 . 1 1 86 86 ILE CG2 C 13 16.534 0.3 . 1 . . . . 86 ILE CG2 . 17636 1 946 . 1 1 86 86 ILE CD1 C 13 14.465 0.3 . 1 . . . . 86 ILE CD1 . 17636 1 947 . 1 1 86 86 ILE N N 15 113.888 0.3 . 1 . . . . 86 ILE N . 17636 1 948 . 1 1 87 87 SER H H 1 8.005 0.020 . 1 . . . . 87 SER H . 17636 1 949 . 1 1 87 87 SER HA H 1 4.347 0.020 . 1 . . . . 87 SER HA . 17636 1 950 . 1 1 87 87 SER HB2 H 1 3.321 0.020 . 2 . . . . 87 SER HB2 . 17636 1 951 . 1 1 87 87 SER HB3 H 1 2.897 0.020 . 2 . . . . 87 SER HB3 . 17636 1 952 . 1 1 87 87 SER C C 13 173.186 0.3 . 1 . . . . 87 SER C . 17636 1 953 . 1 1 87 87 SER CA C 13 58.719 0.3 . 1 . . . . 87 SER CA . 17636 1 954 . 1 1 87 87 SER CB C 13 67.197 0.3 . 1 . . . . 87 SER CB . 17636 1 955 . 1 1 87 87 SER N N 15 112.971 0.3 . 1 . . . . 87 SER N . 17636 1 956 . 1 1 88 88 ASN H H 1 8.442 0.020 . 1 . . . . 88 ASN H . 17636 1 957 . 1 1 88 88 ASN HA H 1 4.419 0.020 . 1 . . . . 88 ASN HA . 17636 1 958 . 1 1 88 88 ASN HB2 H 1 3.065 0.020 . 2 . . . . 88 ASN HB2 . 17636 1 959 . 1 1 88 88 ASN HB3 H 1 2.770 0.020 . 2 . . . . 88 ASN HB3 . 17636 1 960 . 1 1 88 88 ASN HD21 H 1 7.579 0.020 . 1 . . . . 88 ASN HD21 . 17636 1 961 . 1 1 88 88 ASN HD22 H 1 6.800 0.020 . 1 . . . . 88 ASN HD22 . 17636 1 962 . 1 1 88 88 ASN CA C 13 54.726 0.3 . 1 . . . . 88 ASN CA . 17636 1 963 . 1 1 88 88 ASN CB C 13 37.681 0.3 . 1 . . . . 88 ASN CB . 17636 1 964 . 1 1 88 88 ASN N N 15 120.100 0.3 . 1 . . . . 88 ASN N . 17636 1 965 . 1 1 88 88 ASN ND2 N 15 113.194 0.3 . 1 . . . . 88 ASN ND2 . 17636 1 966 . 1 1 89 89 GLN H H 1 7.292 0.020 . 1 . . . . 89 GLN H . 17636 1 967 . 1 1 89 89 GLN HA H 1 4.593 0.020 . 1 . . . . 89 GLN HA . 17636 1 968 . 1 1 89 89 GLN HB2 H 1 1.973 0.020 . 2 . . . . 89 GLN HB2 . 17636 1 969 . 1 1 89 89 GLN HB3 H 1 1.758 0.020 . 2 . . . . 89 GLN HB3 . 17636 1 970 . 1 1 89 89 GLN HG2 H 1 2.349 0.020 . 2 . . . . 89 GLN HG2 . 17636 1 971 . 1 1 89 89 GLN HG3 H 1 2.183 0.020 . 2 . . . . 89 GLN HG3 . 17636 1 972 . 1 1 89 89 GLN HE21 H 1 7.073 0.020 . 1 . . . . 89 GLN HE21 . 17636 1 973 . 1 1 89 89 GLN HE22 H 1 6.676 0.020 . 1 . . . . 89 GLN HE22 . 17636 1 974 . 1 1 89 89 GLN C C 13 175.959 0.3 . 1 . . . . 89 GLN C . 17636 1 975 . 1 1 89 89 GLN CA C 13 54.984 0.3 . 1 . . . . 89 GLN CA . 17636 1 976 . 1 1 89 89 GLN CB C 13 30.585 0.3 . 1 . . . . 89 GLN CB . 17636 1 977 . 1 1 89 89 GLN CG C 13 33.746 0.3 . 1 . . . . 89 GLN CG . 17636 1 978 . 1 1 89 89 GLN N N 15 118.847 0.3 . 1 . . . . 89 GLN N . 17636 1 979 . 1 1 89 89 GLN NE2 N 15 113.453 0.3 . 1 . . . . 89 GLN NE2 . 17636 1 980 . 1 1 90 90 LYS H H 1 8.186 0.020 . 1 . . . . 90 LYS H . 17636 1 981 . 1 1 90 90 LYS HA H 1 4.389 0.020 . 1 . . . . 90 LYS HA . 17636 1 982 . 1 1 90 90 LYS HB2 H 1 1.841 0.020 . 2 . . . . 90 LYS HB2 . 17636 1 983 . 1 1 90 90 LYS HB3 H 1 1.684 0.020 . 2 . . . . 90 LYS HB3 . 17636 1 984 . 1 1 90 90 LYS HG2 H 1 1.353 0.020 . 1 . . . . 90 LYS HG2 . 17636 1 985 . 1 1 90 90 LYS HG3 H 1 1.353 0.020 . 1 . . . . 90 LYS HG3 . 17636 1 986 . 1 1 90 90 LYS HD2 H 1 1.587 0.020 . 1 . . . . 90 LYS HD2 . 17636 1 987 . 1 1 90 90 LYS HD3 H 1 1.587 0.020 . 1 . . . . 90 LYS HD3 . 17636 1 988 . 1 1 90 90 LYS HE2 H 1 2.874 0.020 . 1 . . . . 90 LYS HE2 . 17636 1 989 . 1 1 90 90 LYS HE3 H 1 2.874 0.020 . 1 . . . . 90 LYS HE3 . 17636 1 990 . 1 1 90 90 LYS CA C 13 57.149 0.3 . 1 . . . . 90 LYS CA . 17636 1 991 . 1 1 90 90 LYS CB C 13 33.625 0.3 . 1 . . . . 90 LYS CB . 17636 1 992 . 1 1 90 90 LYS CG C 13 25.485 0.3 . 1 . . . . 90 LYS CG . 17636 1 993 . 1 1 90 90 LYS CD C 13 29.201 0.3 . 1 . . . . 90 LYS CD . 17636 1 994 . 1 1 90 90 LYS CE C 13 41.739 0.3 . 1 . . . . 90 LYS CE . 17636 1 995 . 1 1 90 90 LYS N N 15 122.998 0.3 . 1 . . . . 90 LYS N . 17636 1 996 . 1 1 91 91 THR H H 1 7.010 0.020 . 1 . . . . 91 THR H . 17636 1 997 . 1 1 91 91 THR HA H 1 4.540 0.020 . 1 . . . . 91 THR HA . 17636 1 998 . 1 1 91 91 THR HB H 1 4.313 0.020 . 1 . . . . 91 THR HB . 17636 1 999 . 1 1 91 91 THR HG21 H 1 1.112 0.020 . 1 . . . . 91 THR HG2 . 17636 1 1000 . 1 1 91 91 THR HG22 H 1 1.112 0.020 . 1 . . . . 91 THR HG2 . 17636 1 1001 . 1 1 91 91 THR HG23 H 1 1.112 0.020 . 1 . . . . 91 THR HG2 . 17636 1 1002 . 1 1 91 91 THR C C 13 175.366 0.3 . 1 . . . . 91 THR C . 17636 1 1003 . 1 1 91 91 THR CA C 13 60.242 0.3 . 1 . . . . 91 THR CA . 17636 1 1004 . 1 1 91 91 THR CB C 13 71.274 0.3 . 1 . . . . 91 THR CB . 17636 1 1005 . 1 1 91 91 THR CG2 C 13 21.539 0.3 . 1 . . . . 91 THR CG2 . 17636 1 1006 . 1 1 91 91 THR N N 15 107.788 0.3 . 1 . . . . 91 THR N . 17636 1 1007 . 1 1 92 92 VAL H H 1 8.552 0.020 . 1 . . . . 92 VAL H . 17636 1 1008 . 1 1 92 92 VAL HA H 1 4.155 0.020 . 1 . . . . 92 VAL HA . 17636 1 1009 . 1 1 92 92 VAL HB H 1 2.059 0.020 . 1 . . . . 92 VAL HB . 17636 1 1010 . 1 1 92 92 VAL HG11 H 1 0.857 0.020 . 2 . . . . 92 VAL HG1 . 17636 1 1011 . 1 1 92 92 VAL HG12 H 1 0.857 0.020 . 2 . . . . 92 VAL HG1 . 17636 1 1012 . 1 1 92 92 VAL HG13 H 1 0.857 0.020 . 2 . . . . 92 VAL HG1 . 17636 1 1013 . 1 1 92 92 VAL HG21 H 1 0.852 0.020 . 2 . . . . 92 VAL HG2 . 17636 1 1014 . 1 1 92 92 VAL HG22 H 1 0.852 0.020 . 2 . . . . 92 VAL HG2 . 17636 1 1015 . 1 1 92 92 VAL HG23 H 1 0.852 0.020 . 2 . . . . 92 VAL HG2 . 17636 1 1016 . 1 1 92 92 VAL C C 13 173.210 0.3 . 1 . . . . 92 VAL C . 17636 1 1017 . 1 1 92 92 VAL CA C 13 58.948 0.3 . 1 . . . . 92 VAL CA . 17636 1 1018 . 1 1 92 92 VAL CB C 13 32.897 0.3 . 1 . . . . 92 VAL CB . 17636 1 1019 . 1 1 92 92 VAL CG1 C 13 19.182 0.3 . 1 . . . . 92 VAL CG1 . 17636 1 1020 . 1 1 92 92 VAL CG2 C 13 19.675 0.3 . 1 . . . . 92 VAL CG2 . 17636 1 1021 . 1 1 92 92 VAL N N 15 118.573 0.3 . 1 . . . . 92 VAL N . 17636 1 1022 . 1 1 93 93 PRO HA H 1 5.268 0.020 . 1 . . . . 93 PRO HA . 17636 1 1023 . 1 1 93 93 PRO HB2 H 1 2.702 0.020 . 2 . . . . 93 PRO HB2 . 17636 1 1024 . 1 1 93 93 PRO HB3 H 1 1.854 0.020 . 2 . . . . 93 PRO HB3 . 17636 1 1025 . 1 1 93 93 PRO HG2 H 1 1.930 0.020 . 1 . . . . 93 PRO HG2 . 17636 1 1026 . 1 1 93 93 PRO HG3 H 1 1.930 0.020 . 1 . . . . 93 PRO HG3 . 17636 1 1027 . 1 1 93 93 PRO C C 13 175.437 0.3 . 1 . . . . 93 PRO C . 17636 1 1028 . 1 1 93 93 PRO CA C 13 61.384 0.3 . 1 . . . . 93 PRO CA . 17636 1 1029 . 1 1 93 93 PRO CB C 13 34.870 0.3 . 1 . . . . 93 PRO CB . 17636 1 1030 . 1 1 93 93 PRO CG C 13 27.658 0.3 . 1 . . . . 93 PRO CG . 17636 1 1031 . 1 1 94 94 ASN H H 1 8.940 0.020 . 1 . . . . 94 ASN H . 17636 1 1032 . 1 1 94 94 ASN HA H 1 4.857 0.020 . 1 . . . . 94 ASN HA . 17636 1 1033 . 1 1 94 94 ASN HB2 H 1 3.168 0.020 . 2 . . . . 94 ASN HB2 . 17636 1 1034 . 1 1 94 94 ASN HB3 H 1 2.663 0.020 . 2 . . . . 94 ASN HB3 . 17636 1 1035 . 1 1 94 94 ASN HD21 H 1 7.333 0.020 . 1 . . . . 94 ASN HD21 . 17636 1 1036 . 1 1 94 94 ASN HD22 H 1 5.912 0.020 . 1 . . . . 94 ASN HD22 . 17636 1 1037 . 1 1 94 94 ASN CA C 13 52.962 0.3 . 1 . . . . 94 ASN CA . 17636 1 1038 . 1 1 94 94 ASN CB C 13 41.368 0.3 . 1 . . . . 94 ASN CB . 17636 1 1039 . 1 1 94 94 ASN N N 15 122.694 0.3 . 1 . . . . 94 ASN N . 17636 1 1040 . 1 1 94 94 ASN ND2 N 15 104.453 0.3 . 1 . . . . 94 ASN ND2 . 17636 1 1041 . 1 1 95 95 ILE H H 1 8.806 0.020 . 1 . . . . 95 ILE H . 17636 1 1042 . 1 1 95 95 ILE HA H 1 4.864 0.020 . 1 . . . . 95 ILE HA . 17636 1 1043 . 1 1 95 95 ILE HB H 1 1.812 0.020 . 1 . . . . 95 ILE HB . 17636 1 1044 . 1 1 95 95 ILE HG12 H 1 1.347 0.020 . 1 . . . . 95 ILE HG12 . 17636 1 1045 . 1 1 95 95 ILE HG13 H 1 1.347 0.020 . 1 . . . . 95 ILE HG13 . 17636 1 1046 . 1 1 95 95 ILE HG21 H 1 0.685 0.020 . 1 . . . . 95 ILE HG2 . 17636 1 1047 . 1 1 95 95 ILE HG22 H 1 0.685 0.020 . 1 . . . . 95 ILE HG2 . 17636 1 1048 . 1 1 95 95 ILE HG23 H 1 0.685 0.020 . 1 . . . . 95 ILE HG2 . 17636 1 1049 . 1 1 95 95 ILE HD11 H 1 0.888 0.020 . 1 . . . . 95 ILE HD1 . 17636 1 1050 . 1 1 95 95 ILE HD12 H 1 0.888 0.020 . 1 . . . . 95 ILE HD1 . 17636 1 1051 . 1 1 95 95 ILE HD13 H 1 0.888 0.020 . 1 . . . . 95 ILE HD1 . 17636 1 1052 . 1 1 95 95 ILE C C 13 174.063 0.3 . 1 . . . . 95 ILE C . 17636 1 1053 . 1 1 95 95 ILE CA C 13 62.573 0.3 . 1 . . . . 95 ILE CA . 17636 1 1054 . 1 1 95 95 ILE CB C 13 39.972 0.3 . 1 . . . . 95 ILE CB . 17636 1 1055 . 1 1 95 95 ILE CG1 C 13 32.188 0.3 . 1 . . . . 95 ILE CG1 . 17636 1 1056 . 1 1 95 95 ILE CG2 C 13 21.019 0.3 . 1 . . . . 95 ILE CG2 . 17636 1 1057 . 1 1 95 95 ILE CD1 C 13 16.363 0.3 . 1 . . . . 95 ILE CD1 . 17636 1 1058 . 1 1 95 95 ILE N N 15 128.442 0.3 . 1 . . . . 95 ILE N . 17636 1 1059 . 1 1 96 96 PHE H H 1 8.956 0.020 . 1 . . . . 96 PHE H . 17636 1 1060 . 1 1 96 96 PHE HA H 1 5.288 0.020 . 1 . . . . 96 PHE HA . 17636 1 1061 . 1 1 96 96 PHE HB2 H 1 2.944 0.020 . 2 . . . . 96 PHE HB2 . 17636 1 1062 . 1 1 96 96 PHE HB3 H 1 2.673 0.020 . 2 . . . . 96 PHE HB3 . 17636 1 1063 . 1 1 96 96 PHE HD1 H 1 7.086 0.020 . 1 . . . . 96 PHE HD1 . 17636 1 1064 . 1 1 96 96 PHE HD2 H 1 7.086 0.020 . 1 . . . . 96 PHE HD2 . 17636 1 1065 . 1 1 96 96 PHE HZ H 1 6.572 0.020 . 1 . . . . 96 PHE HZ . 17636 1 1066 . 1 1 96 96 PHE CA C 13 56.197 0.3 . 1 . . . . 96 PHE CA . 17636 1 1067 . 1 1 96 96 PHE CB C 13 43.001 0.3 . 1 . . . . 96 PHE CB . 17636 1 1068 . 1 1 96 96 PHE CD1 C 13 128.427 0.3 . 1 . . . . 96 PHE CD1 . 17636 1 1069 . 1 1 96 96 PHE CD2 C 13 128.427 0.3 . 1 . . . . 96 PHE CD2 . 17636 1 1070 . 1 1 96 96 PHE CZ C 13 126.363 0.3 . 1 . . . . 96 PHE CZ . 17636 1 1071 . 1 1 96 96 PHE N N 15 127.398 0.3 . 1 . . . . 96 PHE N . 17636 1 1072 . 1 1 97 97 VAL H H 1 8.975 0.020 . 1 . . . . 97 VAL H . 17636 1 1073 . 1 1 97 97 VAL HA H 1 4.986 0.020 . 1 . . . . 97 VAL HA . 17636 1 1074 . 1 1 97 97 VAL HB H 1 1.757 0.020 . 1 . . . . 97 VAL HB . 17636 1 1075 . 1 1 97 97 VAL HG11 H 1 0.818 0.020 . 2 . . . . 97 VAL HG1 . 17636 1 1076 . 1 1 97 97 VAL HG12 H 1 0.818 0.020 . 2 . . . . 97 VAL HG1 . 17636 1 1077 . 1 1 97 97 VAL HG13 H 1 0.818 0.020 . 2 . . . . 97 VAL HG1 . 17636 1 1078 . 1 1 97 97 VAL HG21 H 1 0.772 0.020 . 2 . . . . 97 VAL HG2 . 17636 1 1079 . 1 1 97 97 VAL HG22 H 1 0.772 0.020 . 2 . . . . 97 VAL HG2 . 17636 1 1080 . 1 1 97 97 VAL HG23 H 1 0.772 0.020 . 2 . . . . 97 VAL HG2 . 17636 1 1081 . 1 1 97 97 VAL C C 13 175.627 0.3 . 1 . . . . 97 VAL C . 17636 1 1082 . 1 1 97 97 VAL CA C 13 60.099 0.3 . 1 . . . . 97 VAL CA . 17636 1 1083 . 1 1 97 97 VAL CB C 13 34.152 0.3 . 1 . . . . 97 VAL CB . 17636 1 1084 . 1 1 97 97 VAL CG1 C 13 21.996 0.3 . 1 . . . . 97 VAL CG1 . 17636 1 1085 . 1 1 97 97 VAL CG2 C 13 22.016 0.3 . 1 . . . . 97 VAL CG2 . 17636 1 1086 . 1 1 97 97 VAL N N 15 121.007 0.3 . 1 . . . . 97 VAL N . 17636 1 1087 . 1 1 98 98 ASN H H 1 10.617 0.020 . 1 . . . . 98 ASN H . 17636 1 1088 . 1 1 98 98 ASN HA H 1 4.428 0.020 . 1 . . . . 98 ASN HA . 17636 1 1089 . 1 1 98 98 ASN HB2 H 1 3.228 0.020 . 2 . . . . 98 ASN HB2 . 17636 1 1090 . 1 1 98 98 ASN HB3 H 1 2.419 0.020 . 2 . . . . 98 ASN HB3 . 17636 1 1091 . 1 1 98 98 ASN HD21 H 1 7.670 0.020 . 1 . . . . 98 ASN HD21 . 17636 1 1092 . 1 1 98 98 ASN HD22 H 1 6.874 0.020 . 1 . . . . 98 ASN HD22 . 17636 1 1093 . 1 1 98 98 ASN CA C 13 53.866 0.3 . 1 . . . . 98 ASN CA . 17636 1 1094 . 1 1 98 98 ASN CB C 13 37.655 0.3 . 1 . . . . 98 ASN CB . 17636 1 1095 . 1 1 98 98 ASN N N 15 128.232 0.3 . 1 . . . . 98 ASN N . 17636 1 1096 . 1 1 98 98 ASN ND2 N 15 112.665 0.3 . 1 . . . . 98 ASN ND2 . 17636 1 1097 . 1 1 99 99 LYS H H 1 9.143 0.020 . 1 . . . . 99 LYS H . 17636 1 1098 . 1 1 99 99 LYS HA H 1 3.380 0.020 . 1 . . . . 99 LYS HA . 17636 1 1099 . 1 1 99 99 LYS HB2 H 1 2.305 0.020 . 2 . . . . 99 LYS HB2 . 17636 1 1100 . 1 1 99 99 LYS HB3 H 1 1.929 0.020 . 2 . . . . 99 LYS HB3 . 17636 1 1101 . 1 1 99 99 LYS HG2 H 1 1.361 0.020 . 2 . . . . 99 LYS HG2 . 17636 1 1102 . 1 1 99 99 LYS HG3 H 1 1.308 0.020 . 2 . . . . 99 LYS HG3 . 17636 1 1103 . 1 1 99 99 LYS HD2 H 1 1.726 0.020 . 1 . . . . 99 LYS HD2 . 17636 1 1104 . 1 1 99 99 LYS HD3 H 1 1.726 0.020 . 1 . . . . 99 LYS HD3 . 17636 1 1105 . 1 1 99 99 LYS HE2 H 1 2.922 0.020 . 1 . . . . 99 LYS HE2 . 17636 1 1106 . 1 1 99 99 LYS HE3 H 1 2.922 0.020 . 1 . . . . 99 LYS HE3 . 17636 1 1107 . 1 1 99 99 LYS C C 13 175.295 0.3 . 1 . . . . 99 LYS C . 17636 1 1108 . 1 1 99 99 LYS CA C 13 58.856 0.3 . 1 . . . . 99 LYS CA . 17636 1 1109 . 1 1 99 99 LYS CB C 13 30.097 0.3 . 1 . . . . 99 LYS CB . 17636 1 1110 . 1 1 99 99 LYS CG C 13 25.271 0.3 . 1 . . . . 99 LYS CG . 17636 1 1111 . 1 1 99 99 LYS CD C 13 29.416 0.3 . 1 . . . . 99 LYS CD . 17636 1 1112 . 1 1 99 99 LYS CE C 13 41.760 0.3 . 1 . . . . 99 LYS CE . 17636 1 1113 . 1 1 99 99 LYS N N 15 106.946 0.3 . 1 . . . . 99 LYS N . 17636 1 1114 . 1 1 100 100 VAL H H 1 8.417 0.020 . 1 . . . . 100 VAL H . 17636 1 1115 . 1 1 100 100 VAL HA H 1 4.021 0.020 . 1 . . . . 100 VAL HA . 17636 1 1116 . 1 1 100 100 VAL HB H 1 2.393 0.020 . 1 . . . . 100 VAL HB . 17636 1 1117 . 1 1 100 100 VAL HG11 H 1 0.950 0.020 . 2 . . . . 100 VAL HG1 . 17636 1 1118 . 1 1 100 100 VAL HG12 H 1 0.950 0.020 . 2 . . . . 100 VAL HG1 . 17636 1 1119 . 1 1 100 100 VAL HG13 H 1 0.950 0.020 . 2 . . . . 100 VAL HG1 . 17636 1 1120 . 1 1 100 100 VAL HG21 H 1 0.805 0.020 . 2 . . . . 100 VAL HG2 . 17636 1 1121 . 1 1 100 100 VAL HG22 H 1 0.805 0.020 . 2 . . . . 100 VAL HG2 . 17636 1 1122 . 1 1 100 100 VAL HG23 H 1 0.805 0.020 . 2 . . . . 100 VAL HG2 . 17636 1 1123 . 1 1 100 100 VAL CA C 13 62.404 0.3 . 1 . . . . 100 VAL CA . 17636 1 1124 . 1 1 100 100 VAL CB C 13 32.546 0.3 . 1 . . . . 100 VAL CB . 17636 1 1125 . 1 1 100 100 VAL CG1 C 13 21.693 0.3 . 1 . . . . 100 VAL CG1 . 17636 1 1126 . 1 1 100 100 VAL CG2 C 13 21.017 0.3 . 1 . . . . 100 VAL CG2 . 17636 1 1127 . 1 1 100 100 VAL N N 15 124.949 0.3 . 1 . . . . 100 VAL N . 17636 1 1128 . 1 1 101 101 HIS H H 1 8.888 0.020 . 1 . . . . 101 HIS H . 17636 1 1129 . 1 1 101 101 HIS HA H 1 3.709 0.020 . 1 . . . . 101 HIS HA . 17636 1 1130 . 1 1 101 101 HIS HB2 H 1 2.949 0.020 . 2 . . . . 101 HIS HB2 . 17636 1 1131 . 1 1 101 101 HIS HB3 H 1 2.808 0.020 . 2 . . . . 101 HIS HB3 . 17636 1 1132 . 1 1 101 101 HIS HD2 H 1 7.082 0.020 . 1 . . . . 101 HIS HD2 . 17636 1 1133 . 1 1 101 101 HIS C C 13 174.366 0.3 . 1 . . . . 101 HIS C . 17636 1 1134 . 1 1 101 101 HIS CA C 13 56.800 0.3 . 1 . . . . 101 HIS CA . 17636 1 1135 . 1 1 101 101 HIS CB C 13 30.853 0.3 . 1 . . . . 101 HIS CB . 17636 1 1136 . 1 1 101 101 HIS CD2 C 13 129.255 0.3 . 1 . . . . 101 HIS CD2 . 17636 1 1137 . 1 1 101 101 HIS N N 15 127.487 0.3 . 1 . . . . 101 HIS N . 17636 1 1138 . 1 1 102 102 VAL H H 1 8.413 0.020 . 1 . . . . 102 VAL H . 17636 1 1139 . 1 1 102 102 VAL HA H 1 3.596 0.020 . 1 . . . . 102 VAL HA . 17636 1 1140 . 1 1 102 102 VAL HB H 1 1.532 0.020 . 1 . . . . 102 VAL HB . 17636 1 1141 . 1 1 102 102 VAL HG11 H 1 0.706 0.020 . 2 . . . . 102 VAL HG1 . 17636 1 1142 . 1 1 102 102 VAL HG12 H 1 0.706 0.020 . 2 . . . . 102 VAL HG1 . 17636 1 1143 . 1 1 102 102 VAL HG13 H 1 0.706 0.020 . 2 . . . . 102 VAL HG1 . 17636 1 1144 . 1 1 102 102 VAL HG21 H 1 0.569 0.020 . 2 . . . . 102 VAL HG2 . 17636 1 1145 . 1 1 102 102 VAL HG22 H 1 0.569 0.020 . 2 . . . . 102 VAL HG2 . 17636 1 1146 . 1 1 102 102 VAL HG23 H 1 0.569 0.020 . 2 . . . . 102 VAL HG2 . 17636 1 1147 . 1 1 102 102 VAL CA C 13 63.744 0.3 . 1 . . . . 102 VAL CA . 17636 1 1148 . 1 1 102 102 VAL CB C 13 31.756 0.3 . 1 . . . . 102 VAL CB . 17636 1 1149 . 1 1 102 102 VAL CG1 C 13 22.872 0.3 . 1 . . . . 102 VAL CG1 . 17636 1 1150 . 1 1 102 102 VAL CG2 C 13 21.815 0.3 . 1 . . . . 102 VAL CG2 . 17636 1 1151 . 1 1 102 102 VAL N N 15 132.418 0.3 . 1 . . . . 102 VAL N . 17636 1 1152 . 1 1 103 103 GLY H H 1 6.600 0.020 . 1 . . . . 103 GLY H . 17636 1 1153 . 1 1 103 103 GLY HA2 H 1 4.088 0.020 . 2 . . . . 103 GLY HA2 . 17636 1 1154 . 1 1 103 103 GLY HA3 H 1 3.480 0.020 . 2 . . . . 103 GLY HA3 . 17636 1 1155 . 1 1 103 103 GLY C C 13 173.057 0.3 . 1 . . . . 103 GLY C . 17636 1 1156 . 1 1 103 103 GLY CA C 13 44.420 0.3 . 1 . . . . 103 GLY CA . 17636 1 1157 . 1 1 103 103 GLY N N 15 103.340 0.3 . 1 . . . . 103 GLY N . 17636 1 1158 . 1 1 104 104 GLY H H 1 7.676 0.020 . 1 . . . . 104 GLY H . 17636 1 1159 . 1 1 104 104 GLY HA2 H 1 4.709 0.020 . 2 . . . . 104 GLY HA2 . 17636 1 1160 . 1 1 104 104 GLY HA3 H 1 3.762 0.020 . 2 . . . . 104 GLY HA3 . 17636 1 1161 . 1 1 104 104 GLY C C 13 175.769 0.3 . 1 . . . . 104 GLY C . 17636 1 1162 . 1 1 104 104 GLY CA C 13 43.452 0.3 . 1 . . . . 104 GLY CA . 17636 1 1163 . 1 1 104 104 GLY N N 15 108.375 0.3 . 1 . . . . 104 GLY N . 17636 1 1164 . 1 1 106 106 ASP H H 1 8.264 0.020 . 1 . . . . 106 ASP H . 17636 1 1165 . 1 1 107 107 ARG H H 1 8.585 0.020 . 1 . . . . 107 ARG H . 17636 1 1166 . 1 1 107 107 ARG HA H 1 3.894 0.020 . 1 . . . . 107 ARG HA . 17636 1 1167 . 1 1 107 107 ARG HB2 H 1 1.768 0.020 . 2 . . . . 107 ARG HB2 . 17636 1 1168 . 1 1 107 107 ARG HB3 H 1 1.595 0.020 . 2 . . . . 107 ARG HB3 . 17636 1 1169 . 1 1 107 107 ARG HG2 H 1 1.660 0.020 . 1 . . . . 107 ARG HG2 . 17636 1 1170 . 1 1 107 107 ARG HG3 H 1 1.660 0.020 . 1 . . . . 107 ARG HG3 . 17636 1 1171 . 1 1 107 107 ARG HD2 H 1 3.193 0.020 . 2 . . . . 107 ARG HD2 . 17636 1 1172 . 1 1 107 107 ARG HD3 H 1 3.107 0.020 . 2 . . . . 107 ARG HD3 . 17636 1 1173 . 1 1 107 107 ARG C C 13 179.457 0.3 . 1 . . . . 107 ARG C . 17636 1 1174 . 1 1 107 107 ARG CA C 13 58.931 0.3 . 1 . . . . 107 ARG CA . 17636 1 1175 . 1 1 107 107 ARG CB C 13 30.373 0.3 . 1 . . . . 107 ARG CB . 17636 1 1176 . 1 1 107 107 ARG CG C 13 27.582 0.3 . 1 . . . . 107 ARG CG . 17636 1 1177 . 1 1 107 107 ARG CD C 13 43.113 0.3 . 1 . . . . 107 ARG CD . 17636 1 1178 . 1 1 107 107 ARG N N 15 120.567 0.3 . 1 . . . . 107 ARG N . 17636 1 1179 . 1 1 108 108 THR H H 1 8.089 0.020 . 1 . . . . 108 THR H . 17636 1 1180 . 1 1 108 108 THR HA H 1 3.536 0.020 . 1 . . . . 108 THR HA . 17636 1 1181 . 1 1 108 108 THR HB H 1 3.914 0.020 . 1 . . . . 108 THR HB . 17636 1 1182 . 1 1 108 108 THR HG21 H 1 0.683 0.020 . 1 . . . . 108 THR HG2 . 17636 1 1183 . 1 1 108 108 THR HG22 H 1 0.683 0.020 . 1 . . . . 108 THR HG2 . 17636 1 1184 . 1 1 108 108 THR HG23 H 1 0.683 0.020 . 1 . . . . 108 THR HG2 . 17636 1 1185 . 1 1 108 108 THR C C 13 175.888 0.3 . 1 . . . . 108 THR C . 17636 1 1186 . 1 1 108 108 THR CA C 13 68.283 0.3 . 1 . . . . 108 THR CA . 17636 1 1187 . 1 1 108 108 THR CB C 13 67.018 0.3 . 1 . . . . 108 THR CB . 17636 1 1188 . 1 1 108 108 THR CG2 C 13 21.120 0.3 . 1 . . . . 108 THR CG2 . 17636 1 1189 . 1 1 108 108 THR N N 15 119.745 0.3 . 1 . . . . 108 THR N . 17636 1 1190 . 1 1 109 109 PHE H H 1 8.396 0.020 . 1 . . . . 109 PHE H . 17636 1 1191 . 1 1 109 109 PHE HA H 1 3.962 0.020 . 1 . . . . 109 PHE HA . 17636 1 1192 . 1 1 109 109 PHE HB2 H 1 3.026 0.020 . 1 . . . . 109 PHE HB2 . 17636 1 1193 . 1 1 109 109 PHE HB3 H 1 3.026 0.020 . 1 . . . . 109 PHE HB3 . 17636 1 1194 . 1 1 109 109 PHE HD1 H 1 7.440 0.020 . 1 . . . . 109 PHE HD1 . 17636 1 1195 . 1 1 109 109 PHE HD2 H 1 7.440 0.020 . 1 . . . . 109 PHE HD2 . 17636 1 1196 . 1 1 109 109 PHE HE1 H 1 7.022 0.020 . 1 . . . . 109 PHE HE1 . 17636 1 1197 . 1 1 109 109 PHE HE2 H 1 7.022 0.020 . 1 . . . . 109 PHE HE2 . 17636 1 1198 . 1 1 109 109 PHE HZ H 1 6.775 0.020 . 1 . . . . 109 PHE HZ . 17636 1 1199 . 1 1 109 109 PHE C C 13 179.243 0.3 . 1 . . . . 109 PHE C . 17636 1 1200 . 1 1 109 109 PHE CA C 13 63.382 0.3 . 1 . . . . 109 PHE CA . 17636 1 1201 . 1 1 109 109 PHE CB C 13 37.655 0.3 . 1 . . . . 109 PHE CB . 17636 1 1202 . 1 1 109 109 PHE CD1 C 13 129.121 0.3 . 1 . . . . 109 PHE CD1 . 17636 1 1203 . 1 1 109 109 PHE CD2 C 13 129.121 0.3 . 1 . . . . 109 PHE CD2 . 17636 1 1204 . 1 1 109 109 PHE CE1 C 13 129.253 0.3 . 1 . . . . 109 PHE CE1 . 17636 1 1205 . 1 1 109 109 PHE CE2 C 13 129.253 0.3 . 1 . . . . 109 PHE CE2 . 17636 1 1206 . 1 1 109 109 PHE CZ C 13 125.686 0.3 . 1 . . . . 109 PHE CZ . 17636 1 1207 . 1 1 109 109 PHE N N 15 121.201 0.3 . 1 . . . . 109 PHE N . 17636 1 1208 . 1 1 110 110 GLN H H 1 8.333 0.020 . 1 . . . . 110 GLN H . 17636 1 1209 . 1 1 110 110 GLN HA H 1 4.023 0.020 . 1 . . . . 110 GLN HA . 17636 1 1210 . 1 1 110 110 GLN HB2 H 1 2.032 0.020 . 1 . . . . 110 GLN HB2 . 17636 1 1211 . 1 1 110 110 GLN HB3 H 1 2.032 0.020 . 1 . . . . 110 GLN HB3 . 17636 1 1212 . 1 1 110 110 GLN HG2 H 1 2.432 0.020 . 1 . . . . 110 GLN HG2 . 17636 1 1213 . 1 1 110 110 GLN HG3 H 1 2.432 0.020 . 1 . . . . 110 GLN HG3 . 17636 1 1214 . 1 1 110 110 GLN HE21 H 1 7.456 0.020 . 1 . . . . 110 GLN HE21 . 17636 1 1215 . 1 1 110 110 GLN HE22 H 1 6.811 0.020 . 1 . . . . 110 GLN HE22 . 17636 1 1216 . 1 1 110 110 GLN C C 13 177.720 0.3 . 1 . . . . 110 GLN C . 17636 1 1217 . 1 1 110 110 GLN CA C 13 59.338 0.3 . 1 . . . . 110 GLN CA . 17636 1 1218 . 1 1 110 110 GLN CB C 13 28.253 0.3 . 1 . . . . 110 GLN CB . 17636 1 1219 . 1 1 110 110 GLN CG C 13 33.918 0.3 . 1 . . . . 110 GLN CG . 17636 1 1220 . 1 1 110 110 GLN N N 15 121.228 0.3 . 1 . . . . 110 GLN N . 17636 1 1221 . 1 1 110 110 GLN NE2 N 15 111.876 0.3 . 1 . . . . 110 GLN NE2 . 17636 1 1222 . 1 1 111 111 ALA H H 1 8.041 0.020 . 1 . . . . 111 ALA H . 17636 1 1223 . 1 1 111 111 ALA HA H 1 4.457 0.020 . 1 . . . . 111 ALA HA . 17636 1 1224 . 1 1 111 111 ALA HB1 H 1 1.403 0.020 . 1 . . . . 111 ALA HB . 17636 1 1225 . 1 1 111 111 ALA HB2 H 1 1.403 0.020 . 1 . . . . 111 ALA HB . 17636 1 1226 . 1 1 111 111 ALA HB3 H 1 1.403 0.020 . 1 . . . . 111 ALA HB . 17636 1 1227 . 1 1 111 111 ALA C C 13 180.884 0.3 . 1 . . . . 111 ALA C . 17636 1 1228 . 1 1 111 111 ALA CA C 13 53.485 0.3 . 1 . . . . 111 ALA CA . 17636 1 1229 . 1 1 111 111 ALA CB C 13 16.896 0.3 . 1 . . . . 111 ALA CB . 17636 1 1230 . 1 1 111 111 ALA N N 15 121.919 0.3 . 1 . . . . 111 ALA N . 17636 1 1231 . 1 1 112 112 HIS H H 1 8.302 0.020 . 1 . . . . 112 HIS H . 17636 1 1232 . 1 1 112 112 HIS HA H 1 4.345 0.020 . 1 . . . . 112 HIS HA . 17636 1 1233 . 1 1 112 112 HIS HB2 H 1 3.298 0.020 . 2 . . . . 112 HIS HB2 . 17636 1 1234 . 1 1 112 112 HIS HB3 H 1 2.749 0.020 . 2 . . . . 112 HIS HB3 . 17636 1 1235 . 1 1 112 112 HIS HD2 H 1 6.954 0.020 . 1 . . . . 112 HIS HD2 . 17636 1 1236 . 1 1 112 112 HIS C C 13 177.839 0.3 . 1 . . . . 112 HIS C . 17636 1 1237 . 1 1 112 112 HIS CA C 13 59.005 0.3 . 1 . . . . 112 HIS CA . 17636 1 1238 . 1 1 112 112 HIS CB C 13 30.883 0.3 . 1 . . . . 112 HIS CB . 17636 1 1239 . 1 1 112 112 HIS CD2 C 13 131.080 0.3 . 1 . . . . 112 HIS CD2 . 17636 1 1240 . 1 1 112 112 HIS N N 15 121.634 0.3 . 1 . . . . 112 HIS N . 17636 1 1241 . 1 1 113 113 GLN H H 1 7.983 0.020 . 1 . . . . 113 GLN H . 17636 1 1242 . 1 1 113 113 GLN HA H 1 3.727 0.020 . 1 . . . . 113 GLN HA . 17636 1 1243 . 1 1 113 113 GLN HB2 H 1 2.105 0.020 . 1 . . . . 113 GLN HB2 . 17636 1 1244 . 1 1 113 113 GLN HB3 H 1 2.105 0.020 . 1 . . . . 113 GLN HB3 . 17636 1 1245 . 1 1 113 113 GLN HG2 H 1 2.465 0.020 . 2 . . . . 113 GLN HG2 . 17636 1 1246 . 1 1 113 113 GLN HG3 H 1 2.361 0.020 . 2 . . . . 113 GLN HG3 . 17636 1 1247 . 1 1 113 113 GLN HE21 H 1 7.517 0.020 . 1 . . . . 113 GLN HE21 . 17636 1 1248 . 1 1 113 113 GLN HE22 H 1 6.837 0.020 . 1 . . . . 113 GLN HE22 . 17636 1 1249 . 1 1 113 113 GLN C C 13 177.673 0.3 . 1 . . . . 113 GLN C . 17636 1 1250 . 1 1 113 113 GLN CA C 13 58.305 0.3 . 1 . . . . 113 GLN CA . 17636 1 1251 . 1 1 113 113 GLN CB C 13 28.438 0.3 . 1 . . . . 113 GLN CB . 17636 1 1252 . 1 1 113 113 GLN CG C 13 34.035 0.3 . 1 . . . . 113 GLN CG . 17636 1 1253 . 1 1 113 113 GLN N N 15 119.237 0.3 . 1 . . . . 113 GLN N . 17636 1 1254 . 1 1 113 113 GLN NE2 N 15 112.325 0.3 . 1 . . . . 113 GLN NE2 . 17636 1 1255 . 1 1 114 114 ASN H H 1 8.261 0.020 . 1 . . . . 114 ASN H . 17636 1 1256 . 1 1 114 114 ASN HA H 1 4.645 0.020 . 1 . . . . 114 ASN HA . 17636 1 1257 . 1 1 114 114 ASN HB2 H 1 3.078 0.020 . 2 . . . . 114 ASN HB2 . 17636 1 1258 . 1 1 114 114 ASN HB3 H 1 2.698 0.020 . 2 . . . . 114 ASN HB3 . 17636 1 1259 . 1 1 114 114 ASN HD21 H 1 7.237 0.020 . 1 . . . . 114 ASN HD21 . 17636 1 1260 . 1 1 114 114 ASN HD22 H 1 6.737 0.020 . 1 . . . . 114 ASN HD22 . 17636 1 1261 . 1 1 114 114 ASN C C 13 176.887 0.3 . 1 . . . . 114 ASN C . 17636 1 1262 . 1 1 114 114 ASN CA C 13 52.581 0.3 . 1 . . . . 114 ASN CA . 17636 1 1263 . 1 1 114 114 ASN CB C 13 38.208 0.3 . 1 . . . . 114 ASN CB . 17636 1 1264 . 1 1 114 114 ASN N N 15 114.651 0.3 . 1 . . . . 114 ASN N . 17636 1 1265 . 1 1 114 114 ASN ND2 N 15 108.739 0.3 . 1 . . . . 114 ASN ND2 . 17636 1 1266 . 1 1 115 115 GLY H H 1 7.218 0.020 . 1 . . . . 115 GLY H . 17636 1 1267 . 1 1 115 115 GLY HA2 H 1 4.287 0.020 . 2 . . . . 115 GLY HA2 . 17636 1 1268 . 1 1 115 115 GLY HA3 H 1 3.865 0.020 . 2 . . . . 115 GLY HA3 . 17636 1 1269 . 1 1 115 115 GLY C C 13 175.198 0.3 . 1 . . . . 115 GLY C . 17636 1 1270 . 1 1 115 115 GLY CA C 13 45.436 0.3 . 1 . . . . 115 GLY CA . 17636 1 1271 . 1 1 115 115 GLY N N 15 107.726 0.3 . 1 . . . . 115 GLY N . 17636 1 1272 . 1 1 116 116 LEU H H 1 8.668 0.020 . 1 . . . . 116 LEU H . 17636 1 1273 . 1 1 116 116 LEU HA H 1 4.142 0.020 . 1 . . . . 116 LEU HA . 17636 1 1274 . 1 1 116 116 LEU HB2 H 1 1.690 0.020 . 1 . . . . 116 LEU HB2 . 17636 1 1275 . 1 1 116 116 LEU HB3 H 1 1.690 0.020 . 1 . . . . 116 LEU HB3 . 17636 1 1276 . 1 1 116 116 LEU HG H 1 1.400 0.020 . 1 . . . . 116 LEU HG . 17636 1 1277 . 1 1 116 116 LEU HD11 H 1 0.905 0.020 . 2 . . . . 116 LEU HD1 . 17636 1 1278 . 1 1 116 116 LEU HD12 H 1 0.905 0.020 . 2 . . . . 116 LEU HD1 . 17636 1 1279 . 1 1 116 116 LEU HD13 H 1 0.905 0.020 . 2 . . . . 116 LEU HD1 . 17636 1 1280 . 1 1 116 116 LEU HD21 H 1 0.864 0.020 . 2 . . . . 116 LEU HD2 . 17636 1 1281 . 1 1 116 116 LEU HD22 H 1 0.864 0.020 . 2 . . . . 116 LEU HD2 . 17636 1 1282 . 1 1 116 116 LEU HD23 H 1 0.864 0.020 . 2 . . . . 116 LEU HD2 . 17636 1 1283 . 1 1 116 116 LEU C C 13 178.481 0.3 . 1 . . . . 116 LEU C . 17636 1 1284 . 1 1 116 116 LEU CA C 13 57.657 0.3 . 1 . . . . 116 LEU CA . 17636 1 1285 . 1 1 116 116 LEU CB C 13 41.619 0.3 . 1 . . . . 116 LEU CB . 17636 1 1286 . 1 1 116 116 LEU CG C 13 27.351 0.3 . 1 . . . . 116 LEU CG . 17636 1 1287 . 1 1 116 116 LEU CD1 C 13 22.942 0.3 . 1 . . . . 116 LEU CD1 . 17636 1 1288 . 1 1 116 116 LEU CD2 C 13 24.593 0.3 . 1 . . . . 116 LEU CD2 . 17636 1 1289 . 1 1 116 116 LEU N N 15 125.493 0.3 . 1 . . . . 116 LEU N . 17636 1 1290 . 1 1 117 117 LEU H H 1 7.846 0.020 . 1 . . . . 117 LEU H . 17636 1 1291 . 1 1 117 117 LEU HA H 1 3.813 0.020 . 1 . . . . 117 LEU HA . 17636 1 1292 . 1 1 117 117 LEU HB2 H 1 1.864 0.020 . 2 . . . . 117 LEU HB2 . 17636 1 1293 . 1 1 117 117 LEU HB3 H 1 1.078 0.020 . 2 . . . . 117 LEU HB3 . 17636 1 1294 . 1 1 117 117 LEU HG H 1 1.545 0.020 . 1 . . . . 117 LEU HG . 17636 1 1295 . 1 1 117 117 LEU HD11 H 1 0.894 0.020 . 2 . . . . 117 LEU HD1 . 17636 1 1296 . 1 1 117 117 LEU HD12 H 1 0.894 0.020 . 2 . . . . 117 LEU HD1 . 17636 1 1297 . 1 1 117 117 LEU HD13 H 1 0.894 0.020 . 2 . . . . 117 LEU HD1 . 17636 1 1298 . 1 1 117 117 LEU HD21 H 1 0.583 0.020 . 2 . . . . 117 LEU HD2 . 17636 1 1299 . 1 1 117 117 LEU HD22 H 1 0.583 0.020 . 2 . . . . 117 LEU HD2 . 17636 1 1300 . 1 1 117 117 LEU HD23 H 1 0.583 0.020 . 2 . . . . 117 LEU HD2 . 17636 1 1301 . 1 1 117 117 LEU C C 13 177.696 0.3 . 1 . . . . 117 LEU C . 17636 1 1302 . 1 1 117 117 LEU CA C 13 57.958 0.3 . 1 . . . . 117 LEU CA . 17636 1 1303 . 1 1 117 117 LEU CB C 13 40.999 0.3 . 1 . . . . 117 LEU CB . 17636 1 1304 . 1 1 117 117 LEU CG C 13 26.912 0.3 . 1 . . . . 117 LEU CG . 17636 1 1305 . 1 1 117 117 LEU CD1 C 13 23.682 0.3 . 1 . . . . 117 LEU CD1 . 17636 1 1306 . 1 1 117 117 LEU CD2 C 13 25.497 0.3 . 1 . . . . 117 LEU CD2 . 17636 1 1307 . 1 1 117 117 LEU N N 15 119.032 0.3 . 1 . . . . 117 LEU N . 17636 1 1308 . 1 1 118 118 GLN H H 1 8.228 0.020 . 1 . . . . 118 GLN H . 17636 1 1309 . 1 1 118 118 GLN HA H 1 3.850 0.020 . 1 . . . . 118 GLN HA . 17636 1 1310 . 1 1 118 118 GLN HB2 H 1 1.971 0.020 . 1 . . . . 118 GLN HB2 . 17636 1 1311 . 1 1 118 118 GLN HB3 H 1 1.971 0.020 . 1 . . . . 118 GLN HB3 . 17636 1 1312 . 1 1 118 118 GLN HG2 H 1 2.384 0.020 . 2 . . . . 118 GLN HG2 . 17636 1 1313 . 1 1 118 118 GLN HG3 H 1 2.296 0.020 . 2 . . . . 118 GLN HG3 . 17636 1 1314 . 1 1 118 118 GLN HE21 H 1 7.609 0.020 . 1 . . . . 118 GLN HE21 . 17636 1 1315 . 1 1 118 118 GLN HE22 H 1 6.789 0.020 . 1 . . . . 118 GLN HE22 . 17636 1 1316 . 1 1 118 118 GLN C C 13 178.220 0.3 . 1 . . . . 118 GLN C . 17636 1 1317 . 1 1 118 118 GLN CA C 13 59.195 0.3 . 1 . . . . 118 GLN CA . 17636 1 1318 . 1 1 118 118 GLN CB C 13 27.792 0.3 . 1 . . . . 118 GLN CB . 17636 1 1319 . 1 1 118 118 GLN CG C 13 33.838 0.3 . 1 . . . . 118 GLN CG . 17636 1 1320 . 1 1 118 118 GLN N N 15 116.792 0.3 . 1 . . . . 118 GLN N . 17636 1 1321 . 1 1 118 118 GLN NE2 N 15 112.948 0.3 . 1 . . . . 118 GLN NE2 . 17636 1 1322 . 1 1 119 119 LYS H H 1 7.297 0.020 . 1 . . . . 119 LYS H . 17636 1 1323 . 1 1 119 119 LYS HA H 1 4.002 0.020 . 1 . . . . 119 LYS HA . 17636 1 1324 . 1 1 119 119 LYS HB2 H 1 1.990 0.020 . 2 . . . . 119 LYS HB2 . 17636 1 1325 . 1 1 119 119 LYS HB3 H 1 1.912 0.020 . 2 . . . . 119 LYS HB3 . 17636 1 1326 . 1 1 119 119 LYS HG2 H 1 1.491 0.020 . 2 . . . . 119 LYS HG2 . 17636 1 1327 . 1 1 119 119 LYS HG3 H 1 1.372 0.020 . 2 . . . . 119 LYS HG3 . 17636 1 1328 . 1 1 119 119 LYS HD2 H 1 1.597 0.020 . 1 . . . . 119 LYS HD2 . 17636 1 1329 . 1 1 119 119 LYS HD3 H 1 1.597 0.020 . 1 . . . . 119 LYS HD3 . 17636 1 1330 . 1 1 119 119 LYS HE2 H 1 2.888 0.020 . 1 . . . . 119 LYS HE2 . 17636 1 1331 . 1 1 119 119 LYS HE3 H 1 2.888 0.020 . 1 . . . . 119 LYS HE3 . 17636 1 1332 . 1 1 119 119 LYS C C 13 179.504 0.3 . 1 . . . . 119 LYS C . 17636 1 1333 . 1 1 119 119 LYS CA C 13 59.299 0.3 . 1 . . . . 119 LYS CA . 17636 1 1334 . 1 1 119 119 LYS CB C 13 31.874 0.3 . 1 . . . . 119 LYS CB . 17636 1 1335 . 1 1 119 119 LYS CG C 13 25.099 0.3 . 1 . . . . 119 LYS CG . 17636 1 1336 . 1 1 119 119 LYS CD C 13 29.172 0.3 . 1 . . . . 119 LYS CD . 17636 1 1337 . 1 1 119 119 LYS CE C 13 41.987 0.3 . 1 . . . . 119 LYS CE . 17636 1 1338 . 1 1 119 119 LYS N N 15 119.640 0.3 . 1 . . . . 119 LYS N . 17636 1 1339 . 1 1 120 120 LEU H H 1 8.276 0.020 . 1 . . . . 120 LEU H . 17636 1 1340 . 1 1 120 120 LEU HA H 1 4.130 0.020 . 1 . . . . 120 LEU HA . 17636 1 1341 . 1 1 120 120 LEU HB2 H 1 1.870 0.020 . 2 . . . . 120 LEU HB2 . 17636 1 1342 . 1 1 120 120 LEU HB3 H 1 1.243 0.020 . 2 . . . . 120 LEU HB3 . 17636 1 1343 . 1 1 120 120 LEU HD11 H 1 0.855 0.020 . 2 . . . . 120 LEU HD1 . 17636 1 1344 . 1 1 120 120 LEU HD12 H 1 0.855 0.020 . 2 . . . . 120 LEU HD1 . 17636 1 1345 . 1 1 120 120 LEU HD13 H 1 0.855 0.020 . 2 . . . . 120 LEU HD1 . 17636 1 1346 . 1 1 120 120 LEU HD21 H 1 0.708 0.020 . 2 . . . . 120 LEU HD2 . 17636 1 1347 . 1 1 120 120 LEU HD22 H 1 0.708 0.020 . 2 . . . . 120 LEU HD2 . 17636 1 1348 . 1 1 120 120 LEU HD23 H 1 0.708 0.020 . 2 . . . . 120 LEU HD2 . 17636 1 1349 . 1 1 120 120 LEU C C 13 179.385 0.3 . 1 . . . . 120 LEU C . 17636 1 1350 . 1 1 120 120 LEU CA C 13 57.206 0.3 . 1 . . . . 120 LEU CA . 17636 1 1351 . 1 1 120 120 LEU CB C 13 42.495 0.3 . 1 . . . . 120 LEU CB . 17636 1 1352 . 1 1 120 120 LEU CD1 C 13 22.231 0.3 . 1 . . . . 120 LEU CD1 . 17636 1 1353 . 1 1 120 120 LEU CD2 C 13 25.875 0.3 . 1 . . . . 120 LEU CD2 . 17636 1 1354 . 1 1 120 120 LEU N N 15 119.360 0.3 . 1 . . . . 120 LEU N . 17636 1 1355 . 1 1 121 121 LEU H H 1 7.965 0.020 . 1 . . . . 121 LEU H . 17636 1 1356 . 1 1 121 121 LEU HA H 1 3.819 0.020 . 1 . . . . 121 LEU HA . 17636 1 1357 . 1 1 121 121 LEU HB2 H 1 1.837 0.020 . 2 . . . . 121 LEU HB2 . 17636 1 1358 . 1 1 121 121 LEU HB3 H 1 1.434 0.020 . 2 . . . . 121 LEU HB3 . 17636 1 1359 . 1 1 121 121 LEU HG H 1 1.710 0.020 . 1 . . . . 121 LEU HG . 17636 1 1360 . 1 1 121 121 LEU HD11 H 1 0.802 0.020 . 2 . . . . 121 LEU HD1 . 17636 1 1361 . 1 1 121 121 LEU HD12 H 1 0.802 0.020 . 2 . . . . 121 LEU HD1 . 17636 1 1362 . 1 1 121 121 LEU HD13 H 1 0.802 0.020 . 2 . . . . 121 LEU HD1 . 17636 1 1363 . 1 1 121 121 LEU HD21 H 1 0.755 0.020 . 2 . . . . 121 LEU HD2 . 17636 1 1364 . 1 1 121 121 LEU HD22 H 1 0.755 0.020 . 2 . . . . 121 LEU HD2 . 17636 1 1365 . 1 1 121 121 LEU HD23 H 1 0.755 0.020 . 2 . . . . 121 LEU HD2 . 17636 1 1366 . 1 1 121 121 LEU CA C 13 56.483 0.3 . 1 . . . . 121 LEU CA . 17636 1 1367 . 1 1 121 121 LEU CB C 13 42.573 0.3 . 1 . . . . 121 LEU CB . 17636 1 1368 . 1 1 121 121 LEU CG C 13 27.170 0.3 . 1 . . . . 121 LEU CG . 17636 1 1369 . 1 1 121 121 LEU CD1 C 13 26.152 0.3 . 1 . . . . 121 LEU CD1 . 17636 1 1370 . 1 1 121 121 LEU CD2 C 13 23.914 0.3 . 1 . . . . 121 LEU CD2 . 17636 1 1371 . 1 1 121 121 LEU N N 15 117.759 0.3 . 1 . . . . 121 LEU N . 17636 1 1372 . 1 1 122 122 GLN H H 1 7.483 0.020 . 1 . . . . 122 GLN H . 17636 1 1373 . 1 1 122 122 GLN HA H 1 4.175 0.020 . 1 . . . . 122 GLN HA . 17636 1 1374 . 1 1 122 122 GLN HB2 H 1 2.093 0.020 . 1 . . . . 122 GLN HB2 . 17636 1 1375 . 1 1 122 122 GLN HB3 H 1 2.093 0.020 . 1 . . . . 122 GLN HB3 . 17636 1 1376 . 1 1 122 122 GLN HG2 H 1 2.423 0.020 . 1 . . . . 122 GLN HG2 . 17636 1 1377 . 1 1 122 122 GLN HG3 H 1 2.423 0.020 . 1 . . . . 122 GLN HG3 . 17636 1 1378 . 1 1 122 122 GLN HE21 H 1 7.480 0.020 . 1 . . . . 122 GLN HE21 . 17636 1 1379 . 1 1 122 122 GLN HE22 H 1 6.791 0.020 . 1 . . . . 122 GLN HE22 . 17636 1 1380 . 1 1 122 122 GLN C C 13 175.626 0.3 . 1 . . . . 122 GLN C . 17636 1 1381 . 1 1 122 122 GLN CA C 13 56.300 0.3 . 1 . . . . 122 GLN CA . 17636 1 1382 . 1 1 122 122 GLN CB C 13 28.925 0.3 . 1 . . . . 122 GLN CB . 17636 1 1383 . 1 1 122 122 GLN CG C 13 34.083 0.3 . 1 . . . . 122 GLN CG . 17636 1 1384 . 1 1 122 122 GLN N N 15 118.195 0.3 . 1 . . . . 122 GLN N . 17636 1 1385 . 1 1 122 122 GLN NE2 N 15 112.329 0.3 . 1 . . . . 122 GLN NE2 . 17636 1 1386 . 1 1 123 123 ASP H H 1 8.048 0.020 . 1 . . . . 123 ASP H . 17636 1 1387 . 1 1 123 123 ASP HA H 1 4.581 0.020 . 1 . . . . 123 ASP HA . 17636 1 1388 . 1 1 123 123 ASP HB2 H 1 2.712 0.020 . 2 . . . . 123 ASP HB2 . 17636 1 1389 . 1 1 123 123 ASP HB3 H 1 2.531 0.020 . 2 . . . . 123 ASP HB3 . 17636 1 1390 . 1 1 123 123 ASP C C 13 175.198 0.3 . 1 . . . . 123 ASP C . 17636 1 1391 . 1 1 123 123 ASP CA C 13 54.481 0.3 . 1 . . . . 123 ASP CA . 17636 1 1392 . 1 1 123 123 ASP CB C 13 41.245 0.3 . 1 . . . . 123 ASP CB . 17636 1 1393 . 1 1 123 123 ASP N N 15 122.775 0.3 . 1 . . . . 123 ASP N . 17636 1 1394 . 1 1 124 124 ASP H H 1 7.978 0.020 . 1 . . . . 124 ASP H . 17636 1 1395 . 1 1 124 124 ASP HA H 1 4.280 0.020 . 1 . . . . 124 ASP HA . 17636 1 1396 . 1 1 124 124 ASP HB2 H 1 2.558 0.020 . 2 . . . . 124 ASP HB2 . 17636 1 1397 . 1 1 124 124 ASP HB3 H 1 2.479 0.020 . 2 . . . . 124 ASP HB3 . 17636 1 1398 . 1 1 124 124 ASP CA C 13 55.906 0.3 . 1 . . . . 124 ASP CA . 17636 1 1399 . 1 1 124 124 ASP CB C 13 42.382 0.3 . 1 . . . . 124 ASP CB . 17636 1 1400 . 1 1 124 124 ASP N N 15 126.298 0.3 . 1 . . . . 124 ASP N . 17636 1 stop_ save_