data_4825 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4825 _Entry.Title ; 1H, 15N and 13C NMR Resonance Assignments of RC-RNase 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-11 _Entry.Accession_date 2000-09-11 _Entry.Last_release_date 2000-11-13 _Entry.Original_release_date 2000-11-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chun-Hua Hsu . . . 4825 2 Lih-Woan Chen . . . 4825 3 You-Di Liao . . . 4825 4 Shih-Hsiung Wu . . . 4825 5 Chinpan Chen . . . 4825 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4825 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 768 4825 '13C chemical shifts' 490 4825 '15N chemical shifts' 112 4825 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-11-13 2000-09-11 original author . 4825 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4825 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21140948 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignments and secondary structure determination of the RC-RNase 2 from oocytes of bullfrog Rana catesbeiana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 19 _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 87 _Citation.Page_last 88 _Citation.Year 2001 _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 Chun-Hua Hsu . . . 4825 1 2 Lih-Woan Chen . . . 4825 1 3 You-Di Liao . . . 4825 1 4 Shih-Hsiung Wu . . . 4825 1 5 Chinpan Chen . . . 4825 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID antitumor 4825 1 bullfrog 4825 1 cytotoxicity 4825 1 lectin 4825 1 ribonuclease 4825 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_rRC-RNase2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_rRC-RNase2 _Assembly.Entry_ID 4825 _Assembly.ID 1 _Assembly.Name 'Recombinant RC-RNase 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4825 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 rRC-RNase2[M(-1),Q1] 1 $rRC-RNase2 . . . native . . . . . 4825 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 69 69 SG . . . . . . . . . . 4825 1 2 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 76 76 SG . . . . . . . . . . 4825 1 3 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 4825 1 4 disulfide single . 1 . 1 CYS 88 88 SG . 1 . 1 CYS 105 105 SG . . . . . . . . . . 4825 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Recombinant RC-RNase 2' system 4825 1 rRC-RNase2[M(-1),Q1] abbreviation 4825 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ribonuclease 4825 1 antitumor 4825 1 'cytotoxic protein' 4825 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rRC-RNase2 _Entity.Sf_category entity _Entity.Sf_framecode rRC-RNase2 _Entity.Entry_ID 4825 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rRC-RNase2[M(-1),Q1] _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 ; MQNWETFQKKHLTDTRDVKC DAEMKKALFDCKQKNTFIYA RPGRVQALCKNIIVSKNVLS TDEFYLSDCNRIKLPCHYKL KKSSNTICITCENKLPVHFV AVEECP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12346 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1M58 . 'Solution Structure Of Cytotoxic Rc-Rnase2' . . . . . 100.00 106 100.00 100.00 3.48e-56 . . . . 4825 1 . . GenBank AAG31439 . 'RC-RNase2 ribonuclease precursor [Rana catesbeiana]' . . . . . 99.06 128 100.00 100.00 9.47e-56 . . . . 4825 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID rRC-RNase2[M(-1),Q1] common 4825 1 (M-1),Q1 variant 4825 1 rRC-RNase2[M(-1),Q1] abbreviation 4825 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 -1 MET . 4825 1 2 1 GLN . 4825 1 3 2 ASN . 4825 1 4 3 TRP . 4825 1 5 4 GLU . 4825 1 6 5 THR . 4825 1 7 6 PHE . 4825 1 8 7 GLN . 4825 1 9 8 LYS . 4825 1 10 9 LYS . 4825 1 11 10 HIS . 4825 1 12 11 LEU . 4825 1 13 12 THR . 4825 1 14 13 ASP . 4825 1 15 14 THR . 4825 1 16 15 ARG . 4825 1 17 16 ASP . 4825 1 18 17 VAL . 4825 1 19 18 LYS . 4825 1 20 19 CYS . 4825 1 21 20 ASP . 4825 1 22 21 ALA . 4825 1 23 22 GLU . 4825 1 24 23 MET . 4825 1 25 24 LYS . 4825 1 26 25 LYS . 4825 1 27 26 ALA . 4825 1 28 27 LEU . 4825 1 29 28 PHE . 4825 1 30 29 ASP . 4825 1 31 30 CYS . 4825 1 32 31 LYS . 4825 1 33 32 GLN . 4825 1 34 33 LYS . 4825 1 35 34 ASN . 4825 1 36 35 THR . 4825 1 37 36 PHE . 4825 1 38 37 ILE . 4825 1 39 38 TYR . 4825 1 40 39 ALA . 4825 1 41 40 ARG . 4825 1 42 41 PRO . 4825 1 43 42 GLY . 4825 1 44 43 ARG . 4825 1 45 44 VAL . 4825 1 46 45 GLN . 4825 1 47 46 ALA . 4825 1 48 47 LEU . 4825 1 49 48 CYS . 4825 1 50 49 LYS . 4825 1 51 50 ASN . 4825 1 52 51 ILE . 4825 1 53 52 ILE . 4825 1 54 53 VAL . 4825 1 55 54 SER . 4825 1 56 55 LYS . 4825 1 57 56 ASN . 4825 1 58 57 VAL . 4825 1 59 58 LEU . 4825 1 60 59 SER . 4825 1 61 60 THR . 4825 1 62 61 ASP . 4825 1 63 62 GLU . 4825 1 64 63 PHE . 4825 1 65 64 TYR . 4825 1 66 65 LEU . 4825 1 67 66 SER . 4825 1 68 67 ASP . 4825 1 69 68 CYS . 4825 1 70 69 ASN . 4825 1 71 70 ARG . 4825 1 72 71 ILE . 4825 1 73 72 LYS . 4825 1 74 73 LEU . 4825 1 75 74 PRO . 4825 1 76 75 CYS . 4825 1 77 76 HIS . 4825 1 78 77 TYR . 4825 1 79 78 LYS . 4825 1 80 79 LEU . 4825 1 81 80 LYS . 4825 1 82 81 LYS . 4825 1 83 82 SER . 4825 1 84 83 SER . 4825 1 85 84 ASN . 4825 1 86 85 THR . 4825 1 87 86 ILE . 4825 1 88 87 CYS . 4825 1 89 88 ILE . 4825 1 90 89 THR . 4825 1 91 90 CYS . 4825 1 92 91 GLU . 4825 1 93 92 ASN . 4825 1 94 93 LYS . 4825 1 95 94 LEU . 4825 1 96 95 PRO . 4825 1 97 96 VAL . 4825 1 98 97 HIS . 4825 1 99 98 PHE . 4825 1 100 99 VAL . 4825 1 101 100 ALA . 4825 1 102 101 VAL . 4825 1 103 102 GLU . 4825 1 104 103 GLU . 4825 1 105 104 CYS . 4825 1 106 105 PRO . 4825 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 4825 1 . GLN 2 2 4825 1 . ASN 3 3 4825 1 . TRP 4 4 4825 1 . GLU 5 5 4825 1 . THR 6 6 4825 1 . PHE 7 7 4825 1 . GLN 8 8 4825 1 . LYS 9 9 4825 1 . LYS 10 10 4825 1 . HIS 11 11 4825 1 . LEU 12 12 4825 1 . THR 13 13 4825 1 . ASP 14 14 4825 1 . THR 15 15 4825 1 . ARG 16 16 4825 1 . ASP 17 17 4825 1 . VAL 18 18 4825 1 . LYS 19 19 4825 1 . CYS 20 20 4825 1 . ASP 21 21 4825 1 . ALA 22 22 4825 1 . GLU 23 23 4825 1 . MET 24 24 4825 1 . LYS 25 25 4825 1 . LYS 26 26 4825 1 . ALA 27 27 4825 1 . LEU 28 28 4825 1 . PHE 29 29 4825 1 . ASP 30 30 4825 1 . CYS 31 31 4825 1 . LYS 32 32 4825 1 . GLN 33 33 4825 1 . LYS 34 34 4825 1 . ASN 35 35 4825 1 . THR 36 36 4825 1 . PHE 37 37 4825 1 . ILE 38 38 4825 1 . TYR 39 39 4825 1 . ALA 40 40 4825 1 . ARG 41 41 4825 1 . PRO 42 42 4825 1 . GLY 43 43 4825 1 . ARG 44 44 4825 1 . VAL 45 45 4825 1 . GLN 46 46 4825 1 . ALA 47 47 4825 1 . LEU 48 48 4825 1 . CYS 49 49 4825 1 . LYS 50 50 4825 1 . ASN 51 51 4825 1 . ILE 52 52 4825 1 . ILE 53 53 4825 1 . VAL 54 54 4825 1 . SER 55 55 4825 1 . LYS 56 56 4825 1 . ASN 57 57 4825 1 . VAL 58 58 4825 1 . LEU 59 59 4825 1 . SER 60 60 4825 1 . THR 61 61 4825 1 . ASP 62 62 4825 1 . GLU 63 63 4825 1 . PHE 64 64 4825 1 . TYR 65 65 4825 1 . LEU 66 66 4825 1 . SER 67 67 4825 1 . ASP 68 68 4825 1 . CYS 69 69 4825 1 . ASN 70 70 4825 1 . ARG 71 71 4825 1 . ILE 72 72 4825 1 . LYS 73 73 4825 1 . LEU 74 74 4825 1 . PRO 75 75 4825 1 . CYS 76 76 4825 1 . HIS 77 77 4825 1 . TYR 78 78 4825 1 . LYS 79 79 4825 1 . LEU 80 80 4825 1 . LYS 81 81 4825 1 . LYS 82 82 4825 1 . SER 83 83 4825 1 . SER 84 84 4825 1 . ASN 85 85 4825 1 . THR 86 86 4825 1 . ILE 87 87 4825 1 . CYS 88 88 4825 1 . ILE 89 89 4825 1 . THR 90 90 4825 1 . CYS 91 91 4825 1 . GLU 92 92 4825 1 . ASN 93 93 4825 1 . LYS 94 94 4825 1 . LEU 95 95 4825 1 . PRO 96 96 4825 1 . VAL 97 97 4825 1 . HIS 98 98 4825 1 . PHE 99 99 4825 1 . VAL 100 100 4825 1 . ALA 101 101 4825 1 . VAL 102 102 4825 1 . GLU 103 103 4825 1 . GLU 104 104 4825 1 . CYS 105 105 4825 1 . PRO 106 106 4825 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 4825 _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 $rRC-RNase2 . 8400 . . 'Rana catesbeiana' bullfrog . . Eukaryota Metazoa Rana catesbeiana . . . oocyte . . . . . . . . . . . . rcr2 . . . . 4825 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 4825 _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 $rRC-RNase2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-11d . . . . . . 4825 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4825 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 rRC-RNase2[M(-1),Q1] '[U-15N; U-13C]' . . 1 $rRC-RNase2 . . 1.5 . . mM . . . . 4825 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond-sample_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond-sample_1 _Sample_condition_list.Entry_ID 4825 _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 3.5 0.1 n/a 4825 1 temperature 310 0.5 K 4825 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4825 _Software.ID 1 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4825 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 4825 _Software.ID 2 _Software.Name AURELIA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4825 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4825 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4825 _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 NMR_spectrometer Bruker DRX . 600 . . . 4825 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 4825 _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-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 3 '3D CBCANH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 5 '3D HBHA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 6 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 7 '3D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 8 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 9 '3D 15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 10 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 11 '3D C(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4825 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4825 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4825 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4825 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4825 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4825 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_set_1 _Assigned_chem_shift_list.Entry_ID 4825 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond-sample_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4825 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 2 2 GLN HA H 1 4.62 0.02 . 1 . . . . . . . . 4825 1 2 . 1 1 2 2 GLN HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4825 1 3 . 1 1 2 2 GLN HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4825 1 4 . 1 1 2 2 GLN HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4825 1 5 . 1 1 2 2 GLN HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4825 1 6 . 1 1 2 2 GLN C C 13 174.75 0.2 . 1 . . . . . . . . 4825 1 7 . 1 1 2 2 GLN CA C 13 55.69 0.2 . 1 . . . . . . . . 4825 1 8 . 1 1 2 2 GLN CB C 13 28.37 0.2 . 1 . . . . . . . . 4825 1 9 . 1 1 2 2 GLN CG C 13 33.40 0.2 . 1 . . . . . . . . 4825 1 10 . 1 1 3 3 ASN H H 1 8.29 0.02 . 1 . . . . . . . . 4825 1 11 . 1 1 3 3 ASN HA H 1 4.81 0.02 . 1 . . . . . . . . 4825 1 12 . 1 1 3 3 ASN HB2 H 1 3.14 0.02 . 2 . . . . . . . . 4825 1 13 . 1 1 3 3 ASN HB3 H 1 3.27 0.02 . 2 . . . . . . . . 4825 1 14 . 1 1 3 3 ASN HD21 H 1 7.18 0.02 . 1 . . . . . . . . 4825 1 15 . 1 1 3 3 ASN HD22 H 1 7.68 0.02 . 1 . . . . . . . . 4825 1 16 . 1 1 3 3 ASN C C 13 175.67 0.2 . 1 . . . . . . . . 4825 1 17 . 1 1 3 3 ASN CA C 13 53.03 0.2 . 1 . . . . . . . . 4825 1 18 . 1 1 3 3 ASN CB C 13 39.41 0.2 . 1 . . . . . . . . 4825 1 19 . 1 1 3 3 ASN N N 15 119.34 0.1 . 1 . . . . . . . . 4825 1 20 . 1 1 3 3 ASN ND2 N 15 113.33 0.1 . 1 . . . . . . . . 4825 1 21 . 1 1 4 4 TRP H H 1 9.11 0.02 . 1 . . . . . . . . 4825 1 22 . 1 1 4 4 TRP HA H 1 5.53 0.02 . 1 . . . . . . . . 4825 1 23 . 1 1 4 4 TRP HB2 H 1 3.19 0.02 . 2 . . . . . . . . 4825 1 24 . 1 1 4 4 TRP HB3 H 1 3.49 0.02 . 2 . . . . . . . . 4825 1 25 . 1 1 4 4 TRP HD1 H 1 7.32 0.02 . 1 . . . . . . . . 4825 1 26 . 1 1 4 4 TRP HE1 H 1 10.14 0.02 . 1 . . . . . . . . 4825 1 27 . 1 1 4 4 TRP HE3 H 1 8.09 0.02 . 1 . . . . . . . . 4825 1 28 . 1 1 4 4 TRP HZ2 H 1 7.29 0.02 . 1 . . . . . . . . 4825 1 29 . 1 1 4 4 TRP HZ3 H 1 6.72 0.02 . 1 . . . . . . . . 4825 1 30 . 1 1 4 4 TRP HH2 H 1 7.18 0.02 . 1 . . . . . . . . 4825 1 31 . 1 1 4 4 TRP C C 13 178.27 0.2 . 1 . . . . . . . . 4825 1 32 . 1 1 4 4 TRP CA C 13 57.94 0.2 . 1 . . . . . . . . 4825 1 33 . 1 1 4 4 TRP CB C 13 32.39 0.2 . 1 . . . . . . . . 4825 1 34 . 1 1 4 4 TRP CD1 C 13 129.01 0.2 . 1 . . . . . . . . 4825 1 35 . 1 1 4 4 TRP CE3 C 13 124.30 0.2 . 1 . . . . . . . . 4825 1 36 . 1 1 4 4 TRP CZ2 C 13 114.72 0.2 . 1 . . . . . . . . 4825 1 37 . 1 1 4 4 TRP CZ3 C 13 119.80 0.2 . 1 . . . . . . . . 4825 1 38 . 1 1 4 4 TRP CH2 C 13 128.73 0.2 . 1 . . . . . . . . 4825 1 39 . 1 1 4 4 TRP N N 15 123.71 0.1 . 1 . . . . . . . . 4825 1 40 . 1 1 4 4 TRP NE1 N 15 129.90 0.1 . 1 . . . . . . . . 4825 1 41 . 1 1 5 5 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4825 1 42 . 1 1 5 5 GLU HA H 1 3.66 0.02 . 1 . . . . . . . . 4825 1 43 . 1 1 5 5 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4825 1 44 . 1 1 5 5 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4825 1 45 . 1 1 5 5 GLU HG2 H 1 2.19 0.02 . 1 . . . . . . . . 4825 1 46 . 1 1 5 5 GLU HG3 H 1 2.19 0.02 . 1 . . . . . . . . 4825 1 47 . 1 1 5 5 GLU C C 13 179.24 0.2 . 1 . . . . . . . . 4825 1 48 . 1 1 5 5 GLU CA C 13 60.19 0.2 . 1 . . . . . . . . 4825 1 49 . 1 1 5 5 GLU CB C 13 28.78 0.2 . 1 . . . . . . . . 4825 1 50 . 1 1 5 5 GLU CG C 13 36.11 0.2 . 1 . . . . . . . . 4825 1 51 . 1 1 5 5 GLU N N 15 121.12 0.1 . 1 . . . . . . . . 4825 1 52 . 1 1 6 6 THR H H 1 8.40 0.02 . 1 . . . . . . . . 4825 1 53 . 1 1 6 6 THR HA H 1 3.80 0.02 . 1 . . . . . . . . 4825 1 54 . 1 1 6 6 THR HB H 1 4.34 0.02 . 1 . . . . . . . . 4825 1 55 . 1 1 6 6 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 4825 1 56 . 1 1 6 6 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 4825 1 57 . 1 1 6 6 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 4825 1 58 . 1 1 6 6 THR C C 13 175.51 0.2 . 1 . . . . . . . . 4825 1 59 . 1 1 6 6 THR CA C 13 66.46 0.2 . 1 . . . . . . . . 4825 1 60 . 1 1 6 6 THR CB C 13 67.96 0.2 . 1 . . . . . . . . 4825 1 61 . 1 1 6 6 THR CG2 C 13 21.79 0.2 . 1 . . . . . . . . 4825 1 62 . 1 1 6 6 THR N N 15 115.21 0.1 . 1 . . . . . . . . 4825 1 63 . 1 1 7 7 PHE H H 1 8.60 0.02 . 1 . . . . . . . . 4825 1 64 . 1 1 7 7 PHE HA H 1 4.17 0.02 . 1 . . . . . . . . 4825 1 65 . 1 1 7 7 PHE HB2 H 1 3.13 0.02 . 1 . . . . . . . . 4825 1 66 . 1 1 7 7 PHE HB3 H 1 3.70 0.02 . 1 . . . . . . . . 4825 1 67 . 1 1 7 7 PHE HD1 H 1 7.08 0.02 . 1 . . . . . . . . 4825 1 68 . 1 1 7 7 PHE HD2 H 1 7.08 0.02 . 1 . . . . . . . . 4825 1 69 . 1 1 7 7 PHE HE1 H 1 7.00 0.02 . 1 . . . . . . . . 4825 1 70 . 1 1 7 7 PHE HE2 H 1 7.00 0.02 . 1 . . . . . . . . 4825 1 71 . 1 1 7 7 PHE HZ H 1 6.86 0.02 . 1 . . . . . . . . 4825 1 72 . 1 1 7 7 PHE C C 13 177.78 0.2 . 1 . . . . . . . . 4825 1 73 . 1 1 7 7 PHE CA C 13 61.89 0.2 . 1 . . . . . . . . 4825 1 74 . 1 1 7 7 PHE CB C 13 39.20 0.2 . 1 . . . . . . . . 4825 1 75 . 1 1 7 7 PHE CD1 C 13 132.51 0.2 . 1 . . . . . . . . 4825 1 76 . 1 1 7 7 PHE CD2 C 13 132.51 0.2 . 1 . . . . . . . . 4825 1 77 . 1 1 7 7 PHE CE1 C 13 130.10 0.2 . 1 . . . . . . . . 4825 1 78 . 1 1 7 7 PHE CE2 C 13 130.10 0.2 . 1 . . . . . . . . 4825 1 79 . 1 1 7 7 PHE CZ C 13 127.75 0.2 . 1 . . . . . . . . 4825 1 80 . 1 1 7 7 PHE N N 15 123.25 0.1 . 1 . . . . . . . . 4825 1 81 . 1 1 8 8 GLN H H 1 8.27 0.02 . 1 . . . . . . . . 4825 1 82 . 1 1 8 8 GLN HA H 1 3.61 0.02 . 1 . . . . . . . . 4825 1 83 . 1 1 8 8 GLN HB2 H 1 1.25 0.02 . 2 . . . . . . . . 4825 1 84 . 1 1 8 8 GLN HB3 H 1 1.49 0.02 . 2 . . . . . . . . 4825 1 85 . 1 1 8 8 GLN HG2 H 1 1.70 0.02 . 1 . . . . . . . . 4825 1 86 . 1 1 8 8 GLN HG3 H 1 1.85 0.02 . 1 . . . . . . . . 4825 1 87 . 1 1 8 8 GLN HE21 H 1 6.60 0.02 . 2 . . . . . . . . 4825 1 88 . 1 1 8 8 GLN HE22 H 1 6.68 0.02 . 2 . . . . . . . . 4825 1 89 . 1 1 8 8 GLN C C 13 178.30 0.2 . 1 . . . . . . . . 4825 1 90 . 1 1 8 8 GLN CA C 13 59.44 0.2 . 1 . . . . . . . . 4825 1 91 . 1 1 8 8 GLN CB C 13 30.14 0.2 . 1 . . . . . . . . 4825 1 92 . 1 1 8 8 GLN CG C 13 33.96 0.2 . 1 . . . . . . . . 4825 1 93 . 1 1 8 8 GLN N N 15 116.91 0.1 . 1 . . . . . . . . 4825 1 94 . 1 1 8 8 GLN NE2 N 15 109.58 0.1 . 1 . . . . . . . . 4825 1 95 . 1 1 9 9 LYS H H 1 7.43 0.02 . 1 . . . . . . . . 4825 1 96 . 1 1 9 9 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 4825 1 97 . 1 1 9 9 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4825 1 98 . 1 1 9 9 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4825 1 99 . 1 1 9 9 LYS HG2 H 1 1.46 0.02 . 1 . . . . . . . . 4825 1 100 . 1 1 9 9 LYS HG3 H 1 1.46 0.02 . 1 . . . . . . . . 4825 1 101 . 1 1 9 9 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 4825 1 102 . 1 1 9 9 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 4825 1 103 . 1 1 9 9 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 4825 1 104 . 1 1 9 9 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 4825 1 105 . 1 1 9 9 LYS C C 13 178.44 0.2 . 1 . . . . . . . . 4825 1 106 . 1 1 9 9 LYS CA C 13 58.62 0.2 . 1 . . . . . . . . 4825 1 107 . 1 1 9 9 LYS CB C 13 33.07 0.2 . 1 . . . . . . . . 4825 1 108 . 1 1 9 9 LYS CG C 13 24.97 0.2 . 1 . . . . . . . . 4825 1 109 . 1 1 9 9 LYS CD C 13 28.71 0.2 . 1 . . . . . . . . 4825 1 110 . 1 1 9 9 LYS CE C 13 41.83 0.2 . 1 . . . . . . . . 4825 1 111 . 1 1 9 9 LYS N N 15 117.02 0.1 . 1 . . . . . . . . 4825 1 112 . 1 1 10 10 LYS H H 1 8.22 0.02 . 1 . . . . . . . . 4825 1 113 . 1 1 10 10 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 4825 1 114 . 1 1 10 10 LYS HB2 H 1 1.01 0.02 . 2 . . . . . . . . 4825 1 115 . 1 1 10 10 LYS HB3 H 1 1.37 0.02 . 2 . . . . . . . . 4825 1 116 . 1 1 10 10 LYS HG2 H 1 0.60 0.02 . 1 . . . . . . . . 4825 1 117 . 1 1 10 10 LYS HG3 H 1 0.60 0.02 . 1 . . . . . . . . 4825 1 118 . 1 1 10 10 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 4825 1 119 . 1 1 10 10 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 4825 1 120 . 1 1 10 10 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 4825 1 121 . 1 1 10 10 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 4825 1 122 . 1 1 10 10 LYS C C 13 176.58 0.2 . 1 . . . . . . . . 4825 1 123 . 1 1 10 10 LYS CA C 13 57.67 0.2 . 1 . . . . . . . . 4825 1 124 . 1 1 10 10 LYS CB C 13 34.50 0.2 . 1 . . . . . . . . 4825 1 125 . 1 1 10 10 LYS CG C 13 26.24 0.2 . 1 . . . . . . . . 4825 1 126 . 1 1 10 10 LYS CD C 13 29.11 0.2 . 1 . . . . . . . . 4825 1 127 . 1 1 10 10 LYS CE C 13 41.28 0.2 . 1 . . . . . . . . 4825 1 128 . 1 1 10 10 LYS N N 15 114.54 0.1 . 1 . . . . . . . . 4825 1 129 . 1 1 11 11 HIS H H 1 7.86 0.02 . 1 . . . . . . . . 4825 1 130 . 1 1 11 11 HIS HA H 1 4.79 0.02 . 1 . . . . . . . . 4825 1 131 . 1 1 11 11 HIS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4825 1 132 . 1 1 11 11 HIS HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4825 1 133 . 1 1 11 11 HIS HD2 H 1 7.24 0.02 . 1 . . . . . . . . 4825 1 134 . 1 1 11 11 HIS HE1 H 1 8.54 0.02 . 1 . . . . . . . . 4825 1 135 . 1 1 11 11 HIS C C 13 174.12 0.2 . 1 . . . . . . . . 4825 1 136 . 1 1 11 11 HIS CA C 13 54.94 0.2 . 1 . . . . . . . . 4825 1 137 . 1 1 11 11 HIS CB C 13 30.07 0.2 . 1 . . . . . . . . 4825 1 138 . 1 1 11 11 HIS CD2 C 13 119.68 0.2 . 1 . . . . . . . . 4825 1 139 . 1 1 11 11 HIS CE1 C 13 136.50 0.2 . 1 . . . . . . . . 4825 1 140 . 1 1 11 11 HIS N N 15 106.53 0.1 . 1 . . . . . . . . 4825 1 141 . 1 1 12 12 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 4825 1 142 . 1 1 12 12 LEU HA H 1 5.61 0.02 . 1 . . . . . . . . 4825 1 143 . 1 1 12 12 LEU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 4825 1 144 . 1 1 12 12 LEU HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4825 1 145 . 1 1 12 12 LEU HG H 1 1.12 0.02 . 1 . . . . . . . . 4825 1 146 . 1 1 12 12 LEU HD11 H 1 1.07 0.02 . 1 . . . . . . . . 4825 1 147 . 1 1 12 12 LEU HD12 H 1 1.07 0.02 . 1 . . . . . . . . 4825 1 148 . 1 1 12 12 LEU HD13 H 1 1.07 0.02 . 1 . . . . . . . . 4825 1 149 . 1 1 12 12 LEU HD21 H 1 1.07 0.02 . 1 . . . . . . . . 4825 1 150 . 1 1 12 12 LEU HD22 H 1 1.07 0.02 . 1 . . . . . . . . 4825 1 151 . 1 1 12 12 LEU HD23 H 1 1.07 0.02 . 1 . . . . . . . . 4825 1 152 . 1 1 12 12 LEU C C 13 175.85 0.2 . 1 . . . . . . . . 4825 1 153 . 1 1 12 12 LEU CA C 13 54.53 0.2 . 1 . . . . . . . . 4825 1 154 . 1 1 12 12 LEU CB C 13 41.86 0.2 . 1 . . . . . . . . 4825 1 155 . 1 1 12 12 LEU CG C 13 27.67 0.2 . 1 . . . . . . . . 4825 1 156 . 1 1 12 12 LEU CD1 C 13 26.32 0.2 . 1 . . . . . . . . 4825 1 157 . 1 1 12 12 LEU CD2 C 13 23.54 0.2 . 1 . . . . . . . . 4825 1 158 . 1 1 12 12 LEU N N 15 120.26 0.1 . 1 . . . . . . . . 4825 1 159 . 1 1 13 13 THR H H 1 8.19 0.02 . 1 . . . . . . . . 4825 1 160 . 1 1 13 13 THR HA H 1 4.96 0.02 . 1 . . . . . . . . 4825 1 161 . 1 1 13 13 THR HB H 1 3.85 0.02 . 1 . . . . . . . . 4825 1 162 . 1 1 13 13 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . 4825 1 163 . 1 1 13 13 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . 4825 1 164 . 1 1 13 13 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . 4825 1 165 . 1 1 13 13 THR C C 13 171.91 0.2 . 1 . . . . . . . . 4825 1 166 . 1 1 13 13 THR CA C 13 58.35 0.2 . 1 . . . . . . . . 4825 1 167 . 1 1 13 13 THR CB C 13 70.54 0.2 . 1 . . . . . . . . 4825 1 168 . 1 1 13 13 THR CG2 C 13 19.32 0.2 . 1 . . . . . . . . 4825 1 169 . 1 1 13 13 THR N N 15 113.30 0.1 . 1 . . . . . . . . 4825 1 170 . 1 1 14 14 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 4825 1 171 . 1 1 14 14 ASP HA H 1 4.84 0.02 . 1 . . . . . . . . 4825 1 172 . 1 1 14 14 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4825 1 173 . 1 1 14 14 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4825 1 174 . 1 1 14 14 ASP C C 13 175.27 0.2 . 1 . . . . . . . . 4825 1 175 . 1 1 14 14 ASP CA C 13 53.51 0.2 . 1 . . . . . . . . 4825 1 176 . 1 1 14 14 ASP CB C 13 40.63 0.2 . 1 . . . . . . . . 4825 1 177 . 1 1 14 14 ASP N N 15 122.42 0.1 . 1 . . . . . . . . 4825 1 178 . 1 1 15 15 THR H H 1 7.95 0.02 . 1 . . . . . . . . 4825 1 179 . 1 1 15 15 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 4825 1 180 . 1 1 15 15 THR HB H 1 3.97 0.02 . 1 . . . . . . . . 4825 1 181 . 1 1 15 15 THR HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 182 . 1 1 15 15 THR HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 183 . 1 1 15 15 THR HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 184 . 1 1 15 15 THR C C 13 172.67 0.2 . 1 . . . . . . . . 4825 1 185 . 1 1 15 15 THR CA C 13 58.62 0.2 . 1 . . . . . . . . 4825 1 186 . 1 1 15 15 THR CB C 13 69.18 0.2 . 1 . . . . . . . . 4825 1 187 . 1 1 15 15 THR CG2 C 13 18.45 0.2 . 1 . . . . . . . . 4825 1 188 . 1 1 15 15 THR N N 15 113.52 0.1 . 1 . . . . . . . . 4825 1 189 . 1 1 16 16 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 4825 1 190 . 1 1 16 16 ARG HA H 1 3.67 0.02 . 1 . . . . . . . . 4825 1 191 . 1 1 16 16 ARG HB2 H 1 1.10 0.02 . 2 . . . . . . . . 4825 1 192 . 1 1 16 16 ARG HB3 H 1 1.38 0.02 . 2 . . . . . . . . 4825 1 193 . 1 1 16 16 ARG HG2 H 1 0.95 0.02 . 1 . . . . . . . . 4825 1 194 . 1 1 16 16 ARG HG3 H 1 0.95 0.02 . 1 . . . . . . . . 4825 1 195 . 1 1 16 16 ARG HD2 H 1 2.70 0.02 . 1 . . . . . . . . 4825 1 196 . 1 1 16 16 ARG HD3 H 1 2.70 0.02 . 1 . . . . . . . . 4825 1 197 . 1 1 16 16 ARG HE H 1 7.11 0.02 . 1 . . . . . . . . 4825 1 198 . 1 1 16 16 ARG C C 13 178.63 0.2 . 1 . . . . . . . . 4825 1 199 . 1 1 16 16 ARG CA C 13 57.74 0.2 . 1 . . . . . . . . 4825 1 200 . 1 1 16 16 ARG CB C 13 29.53 0.2 . 1 . . . . . . . . 4825 1 201 . 1 1 16 16 ARG CG C 13 26.00 0.2 . 1 . . . . . . . . 4825 1 202 . 1 1 16 16 ARG CD C 13 42.39 0.2 . 1 . . . . . . . . 4825 1 203 . 1 1 16 16 ARG N N 15 124.88 0.1 . 1 . . . . . . . . 4825 1 204 . 1 1 16 16 ARG NE N 15 83.31 0.1 . 1 . . . . . . . . 4825 1 205 . 1 1 17 17 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 4825 1 206 . 1 1 17 17 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 4825 1 207 . 1 1 17 17 ASP HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4825 1 208 . 1 1 17 17 ASP HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4825 1 209 . 1 1 17 17 ASP C C 13 174.13 0.2 . 1 . . . . . . . . 4825 1 210 . 1 1 17 17 ASP CA C 13 52.83 0.2 . 1 . . . . . . . . 4825 1 211 . 1 1 17 17 ASP CB C 13 39.34 0.2 . 1 . . . . . . . . 4825 1 212 . 1 1 17 17 ASP N N 15 122.54 0.1 . 1 . . . . . . . . 4825 1 213 . 1 1 18 18 VAL H H 1 6.64 0.02 . 1 . . . . . . . . 4825 1 214 . 1 1 18 18 VAL HA H 1 3.12 0.02 . 1 . . . . . . . . 4825 1 215 . 1 1 18 18 VAL HB H 1 1.29 0.02 . 1 . . . . . . . . 4825 1 216 . 1 1 18 18 VAL HG11 H 1 -0.04 0.02 . 1 . . . . . . . . 4825 1 217 . 1 1 18 18 VAL HG12 H 1 -0.04 0.02 . 1 . . . . . . . . 4825 1 218 . 1 1 18 18 VAL HG13 H 1 -0.04 0.02 . 1 . . . . . . . . 4825 1 219 . 1 1 18 18 VAL HG21 H 1 0.44 0.02 . 1 . . . . . . . . 4825 1 220 . 1 1 18 18 VAL HG22 H 1 0.44 0.02 . 1 . . . . . . . . 4825 1 221 . 1 1 18 18 VAL HG23 H 1 0.44 0.02 . 1 . . . . . . . . 4825 1 222 . 1 1 18 18 VAL C C 13 175.90 0.2 . 1 . . . . . . . . 4825 1 223 . 1 1 18 18 VAL CA C 13 62.71 0.2 . 1 . . . . . . . . 4825 1 224 . 1 1 18 18 VAL CB C 13 32.46 0.2 . 1 . . . . . . . . 4825 1 225 . 1 1 18 18 VAL CG1 C 13 19.08 0.2 . 1 . . . . . . . . 4825 1 226 . 1 1 18 18 VAL CG2 C 13 20.75 0.2 . 1 . . . . . . . . 4825 1 227 . 1 1 18 18 VAL N N 15 121.28 0.1 . 1 . . . . . . . . 4825 1 228 . 1 1 19 19 LYS H H 1 8.60 0.02 . 1 . . . . . . . . 4825 1 229 . 1 1 19 19 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 4825 1 230 . 1 1 19 19 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 4825 1 231 . 1 1 19 19 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 4825 1 232 . 1 1 19 19 LYS HG2 H 1 1.36 0.02 . 2 . . . . . . . . 4825 1 233 . 1 1 19 19 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 4825 1 234 . 1 1 19 19 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4825 1 235 . 1 1 19 19 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4825 1 236 . 1 1 19 19 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 4825 1 237 . 1 1 19 19 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 4825 1 238 . 1 1 19 19 LYS C C 13 176.43 0.2 . 1 . . . . . . . . 4825 1 239 . 1 1 19 19 LYS CA C 13 53.72 0.2 . 1 . . . . . . . . 4825 1 240 . 1 1 19 19 LYS CB C 13 29.25 0.2 . 1 . . . . . . . . 4825 1 241 . 1 1 19 19 LYS CG C 13 23.93 0.2 . 1 . . . . . . . . 4825 1 242 . 1 1 19 19 LYS CD C 13 28.63 0.2 . 1 . . . . . . . . 4825 1 243 . 1 1 19 19 LYS CE C 13 41.76 0.2 . 1 . . . . . . . . 4825 1 244 . 1 1 19 19 LYS N N 15 128.36 0.1 . 1 . . . . . . . . 4825 1 245 . 1 1 20 20 CYS H H 1 7.92 0.02 . 1 . . . . . . . . 4825 1 246 . 1 1 20 20 CYS HA H 1 3.60 0.02 . 1 . . . . . . . . 4825 1 247 . 1 1 20 20 CYS HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4825 1 248 . 1 1 20 20 CYS HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4825 1 249 . 1 1 20 20 CYS C C 13 174.64 0.2 . 1 . . . . . . . . 4825 1 250 . 1 1 20 20 CYS CA C 13 58.49 0.2 . 1 . . . . . . . . 4825 1 251 . 1 1 20 20 CYS CB C 13 39.54 0.2 . 1 . . . . . . . . 4825 1 252 . 1 1 20 20 CYS N N 15 120.57 0.1 . 1 . . . . . . . . 4825 1 253 . 1 1 21 21 ASP H H 1 8.78 0.02 . 1 . . . . . . . . 4825 1 254 . 1 1 21 21 ASP HA H 1 4.32 0.02 . 1 . . . . . . . . 4825 1 255 . 1 1 21 21 ASP HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4825 1 256 . 1 1 21 21 ASP HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4825 1 257 . 1 1 21 21 ASP C C 13 177.30 0.2 . 1 . . . . . . . . 4825 1 258 . 1 1 21 21 ASP CA C 13 58.01 0.2 . 1 . . . . . . . . 4825 1 259 . 1 1 21 21 ASP CB C 13 38.52 0.2 . 1 . . . . . . . . 4825 1 260 . 1 1 21 21 ASP N N 15 118.78 0.1 . 1 . . . . . . . . 4825 1 261 . 1 1 22 22 ALA H H 1 7.18 0.02 . 1 . . . . . . . . 4825 1 262 . 1 1 22 22 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 4825 1 263 . 1 1 22 22 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4825 1 264 . 1 1 22 22 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4825 1 265 . 1 1 22 22 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4825 1 266 . 1 1 22 22 ALA C C 13 179.45 0.2 . 1 . . . . . . . . 4825 1 267 . 1 1 22 22 ALA CA C 13 53.72 0.2 . 1 . . . . . . . . 4825 1 268 . 1 1 22 22 ALA CB C 13 19.17 0.2 . 1 . . . . . . . . 4825 1 269 . 1 1 22 22 ALA N N 15 119.18 0.1 . 1 . . . . . . . . 4825 1 270 . 1 1 23 23 GLU H H 1 8.03 0.02 . 1 . . . . . . . . 4825 1 271 . 1 1 23 23 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 4825 1 272 . 1 1 23 23 GLU HB2 H 1 1.38 0.02 . 2 . . . . . . . . 4825 1 273 . 1 1 23 23 GLU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4825 1 274 . 1 1 23 23 GLU HG2 H 1 1.89 0.02 . 2 . . . . . . . . 4825 1 275 . 1 1 23 23 GLU HG3 H 1 2.07 0.02 . 2 . . . . . . . . 4825 1 276 . 1 1 23 23 GLU C C 13 178.62 0.2 . 1 . . . . . . . . 4825 1 277 . 1 1 23 23 GLU CA C 13 58.01 0.2 . 1 . . . . . . . . 4825 1 278 . 1 1 23 23 GLU CB C 13 29.66 0.2 . 1 . . . . . . . . 4825 1 279 . 1 1 23 23 GLU CG C 13 33.88 0.2 . 1 . . . . . . . . 4825 1 280 . 1 1 23 23 GLU N N 15 116.20 0.1 . 1 . . . . . . . . 4825 1 281 . 1 1 24 24 MET H H 1 8.29 0.02 . 1 . . . . . . . . 4825 1 282 . 1 1 24 24 MET HA H 1 4.21 0.02 . 1 . . . . . . . . 4825 1 283 . 1 1 24 24 MET HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4825 1 284 . 1 1 24 24 MET HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4825 1 285 . 1 1 24 24 MET C C 13 176.18 0.2 . 1 . . . . . . . . 4825 1 286 . 1 1 24 24 MET CA C 13 54.87 0.2 . 1 . . . . . . . . 4825 1 287 . 1 1 24 24 MET CB C 13 30.48 0.2 . 1 . . . . . . . . 4825 1 288 . 1 1 24 24 MET N N 15 110.47 0.1 . 1 . . . . . . . . 4825 1 289 . 1 1 25 25 LYS H H 1 6.70 0.02 . 1 . . . . . . . . 4825 1 290 . 1 1 25 25 LYS HA H 1 4.75 0.02 . 1 . . . . . . . . 4825 1 291 . 1 1 25 25 LYS HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4825 1 292 . 1 1 25 25 LYS HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4825 1 293 . 1 1 25 25 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 4825 1 294 . 1 1 25 25 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 4825 1 295 . 1 1 25 25 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 4825 1 296 . 1 1 25 25 LYS HD3 H 1 1.76 0.02 . 2 . . . . . . . . 4825 1 297 . 1 1 25 25 LYS HE2 H 1 3.07 0.02 . 1 . . . . . . . . 4825 1 298 . 1 1 25 25 LYS HE3 H 1 3.07 0.02 . 1 . . . . . . . . 4825 1 299 . 1 1 25 25 LYS C C 13 178.19 0.2 . 1 . . . . . . . . 4825 1 300 . 1 1 25 25 LYS CA C 13 55.69 0.2 . 1 . . . . . . . . 4825 1 301 . 1 1 25 25 LYS CB C 13 32.80 0.2 . 1 . . . . . . . . 4825 1 302 . 1 1 25 25 LYS CG C 13 23.78 0.2 . 1 . . . . . . . . 4825 1 303 . 1 1 25 25 LYS CD C 13 29.19 0.2 . 1 . . . . . . . . 4825 1 304 . 1 1 25 25 LYS CE C 13 41.76 0.2 . 1 . . . . . . . . 4825 1 305 . 1 1 25 25 LYS N N 15 113.13 0.1 . 1 . . . . . . . . 4825 1 306 . 1 1 26 26 LYS H H 1 7.74 0.02 . 1 . . . . . . . . 4825 1 307 . 1 1 26 26 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 4825 1 308 . 1 1 26 26 LYS HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4825 1 309 . 1 1 26 26 LYS HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4825 1 310 . 1 1 26 26 LYS HG2 H 1 0.88 0.02 . 1 . . . . . . . . 4825 1 311 . 1 1 26 26 LYS HG3 H 1 0.88 0.02 . 1 . . . . . . . . 4825 1 312 . 1 1 26 26 LYS HD2 H 1 1.43 0.02 . 2 . . . . . . . . 4825 1 313 . 1 1 26 26 LYS HD3 H 1 1.51 0.02 . 2 . . . . . . . . 4825 1 314 . 1 1 26 26 LYS HE2 H 1 3.09 0.02 . 1 . . . . . . . . 4825 1 315 . 1 1 26 26 LYS HE3 H 1 3.09 0.02 . 1 . . . . . . . . 4825 1 316 . 1 1 26 26 LYS C C 13 178.03 0.2 . 1 . . . . . . . . 4825 1 317 . 1 1 26 26 LYS CA C 13 57.33 0.2 . 1 . . . . . . . . 4825 1 318 . 1 1 26 26 LYS CB C 13 33.34 0.2 . 1 . . . . . . . . 4825 1 319 . 1 1 26 26 LYS CG C 13 26.08 0.2 . 1 . . . . . . . . 4825 1 320 . 1 1 26 26 LYS CD C 13 29.42 0.2 . 1 . . . . . . . . 4825 1 321 . 1 1 26 26 LYS CE C 13 41.91 0.2 . 1 . . . . . . . . 4825 1 322 . 1 1 26 26 LYS N N 15 120.51 0.1 . 1 . . . . . . . . 4825 1 323 . 1 1 27 27 ALA H H 1 8.69 0.02 . 1 . . . . . . . . 4825 1 324 . 1 1 27 27 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 4825 1 325 . 1 1 27 27 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 4825 1 326 . 1 1 27 27 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 4825 1 327 . 1 1 27 27 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 4825 1 328 . 1 1 27 27 ALA C C 13 177.96 0.2 . 1 . . . . . . . . 4825 1 329 . 1 1 27 27 ALA CA C 13 54.81 0.2 . 1 . . . . . . . . 4825 1 330 . 1 1 27 27 ALA CB C 13 18.35 0.2 . 1 . . . . . . . . 4825 1 331 . 1 1 27 27 ALA N N 15 125.12 0.1 . 1 . . . . . . . . 4825 1 332 . 1 1 28 28 LEU H H 1 7.21 0.02 . 1 . . . . . . . . 4825 1 333 . 1 1 28 28 LEU HA H 1 3.76 0.02 . 1 . . . . . . . . 4825 1 334 . 1 1 28 28 LEU HB2 H 1 0.60 0.02 . 2 . . . . . . . . 4825 1 335 . 1 1 28 28 LEU HB3 H 1 0.97 0.02 . 2 . . . . . . . . 4825 1 336 . 1 1 28 28 LEU HG H 1 0.92 0.02 . 1 . . . . . . . . 4825 1 337 . 1 1 28 28 LEU HD11 H 1 0.60 0.02 . 1 . . . . . . . . 4825 1 338 . 1 1 28 28 LEU HD12 H 1 0.60 0.02 . 1 . . . . . . . . 4825 1 339 . 1 1 28 28 LEU HD13 H 1 0.60 0.02 . 1 . . . . . . . . 4825 1 340 . 1 1 28 28 LEU HD21 H 1 0.50 0.02 . 1 . . . . . . . . 4825 1 341 . 1 1 28 28 LEU HD22 H 1 0.50 0.02 . 1 . . . . . . . . 4825 1 342 . 1 1 28 28 LEU HD23 H 1 0.50 0.02 . 1 . . . . . . . . 4825 1 343 . 1 1 28 28 LEU C C 13 175.97 0.2 . 1 . . . . . . . . 4825 1 344 . 1 1 28 28 LEU CA C 13 56.51 0.2 . 1 . . . . . . . . 4825 1 345 . 1 1 28 28 LEU CB C 13 42.47 0.2 . 1 . . . . . . . . 4825 1 346 . 1 1 28 28 LEU CG C 13 26.08 0.2 . 1 . . . . . . . . 4825 1 347 . 1 1 28 28 LEU CD1 C 13 24.33 0.2 . 1 . . . . . . . . 4825 1 348 . 1 1 28 28 LEU CD2 C 13 24.33 0.2 . 1 . . . . . . . . 4825 1 349 . 1 1 28 28 LEU N N 15 113.46 0.1 . 1 . . . . . . . . 4825 1 350 . 1 1 29 29 PHE H H 1 7.38 0.02 . 1 . . . . . . . . 4825 1 351 . 1 1 29 29 PHE HA H 1 4.58 0.02 . 1 . . . . . . . . 4825 1 352 . 1 1 29 29 PHE HB2 H 1 3.04 0.02 . 2 . . . . . . . . 4825 1 353 . 1 1 29 29 PHE HB3 H 1 3.26 0.02 . 2 . . . . . . . . 4825 1 354 . 1 1 29 29 PHE HD1 H 1 7.13 0.02 . 1 . . . . . . . . 4825 1 355 . 1 1 29 29 PHE HD2 H 1 7.13 0.02 . 1 . . . . . . . . 4825 1 356 . 1 1 29 29 PHE HE1 H 1 7.19 0.02 . 1 . . . . . . . . 4825 1 357 . 1 1 29 29 PHE HE2 H 1 7.19 0.02 . 1 . . . . . . . . 4825 1 358 . 1 1 29 29 PHE HZ H 1 7.40 0.02 . 1 . . . . . . . . 4825 1 359 . 1 1 29 29 PHE C C 13 176.63 0.2 . 1 . . . . . . . . 4825 1 360 . 1 1 29 29 PHE CA C 13 57.87 0.2 . 1 . . . . . . . . 4825 1 361 . 1 1 29 29 PHE CB C 13 41.79 0.2 . 1 . . . . . . . . 4825 1 362 . 1 1 29 29 PHE CD1 C 13 131.17 0.2 . 1 . . . . . . . . 4825 1 363 . 1 1 29 29 PHE CD2 C 13 131.17 0.2 . 1 . . . . . . . . 4825 1 364 . 1 1 29 29 PHE CE1 C 13 133.18 0.2 . 1 . . . . . . . . 4825 1 365 . 1 1 29 29 PHE CE2 C 13 133.18 0.2 . 1 . . . . . . . . 4825 1 366 . 1 1 29 29 PHE CZ C 13 130.19 0.2 . 1 . . . . . . . . 4825 1 367 . 1 1 29 29 PHE N N 15 114.13 0.1 . 1 . . . . . . . . 4825 1 368 . 1 1 30 30 ASP H H 1 9.00 0.02 . 1 . . . . . . . . 4825 1 369 . 1 1 30 30 ASP HA H 1 4.23 0.02 . 1 . . . . . . . . 4825 1 370 . 1 1 30 30 ASP HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4825 1 371 . 1 1 30 30 ASP HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4825 1 372 . 1 1 30 30 ASP C C 13 174.70 0.2 . 1 . . . . . . . . 4825 1 373 . 1 1 30 30 ASP CA C 13 54.67 0.2 . 1 . . . . . . . . 4825 1 374 . 1 1 30 30 ASP CB C 13 39.82 0.2 . 1 . . . . . . . . 4825 1 375 . 1 1 30 30 ASP N N 15 118.14 0.1 . 1 . . . . . . . . 4825 1 376 . 1 1 31 31 CYS H H 1 9.23 0.02 . 1 . . . . . . . . 4825 1 377 . 1 1 31 31 CYS HA H 1 4.55 0.02 . 1 . . . . . . . . 4825 1 378 . 1 1 31 31 CYS HB2 H 1 3.24 0.02 . 1 . . . . . . . . 4825 1 379 . 1 1 31 31 CYS HB3 H 1 3.79 0.02 . 1 . . . . . . . . 4825 1 380 . 1 1 31 31 CYS C C 13 175.60 0.2 . 1 . . . . . . . . 4825 1 381 . 1 1 31 31 CYS CA C 13 57.12 0.2 . 1 . . . . . . . . 4825 1 382 . 1 1 31 31 CYS CB C 13 40.77 0.2 . 1 . . . . . . . . 4825 1 383 . 1 1 31 31 CYS N N 15 108.93 0.1 . 1 . . . . . . . . 4825 1 384 . 1 1 32 32 LYS H H 1 6.91 0.02 . 1 . . . . . . . . 4825 1 385 . 1 1 32 32 LYS HA H 1 4.36 0.02 . 1 . . . . . . . . 4825 1 386 . 1 1 32 32 LYS HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4825 1 387 . 1 1 32 32 LYS HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4825 1 388 . 1 1 32 32 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 4825 1 389 . 1 1 32 32 LYS HG3 H 1 1.55 0.02 . 2 . . . . . . . . 4825 1 390 . 1 1 32 32 LYS HD2 H 1 1.97 0.02 . 1 . . . . . . . . 4825 1 391 . 1 1 32 32 LYS HD3 H 1 1.97 0.02 . 1 . . . . . . . . 4825 1 392 . 1 1 32 32 LYS HE2 H 1 3.27 0.02 . 1 . . . . . . . . 4825 1 393 . 1 1 32 32 LYS HE3 H 1 3.27 0.02 . 1 . . . . . . . . 4825 1 394 . 1 1 32 32 LYS C C 13 177.06 0.2 . 1 . . . . . . . . 4825 1 395 . 1 1 32 32 LYS CA C 13 55.76 0.2 . 1 . . . . . . . . 4825 1 396 . 1 1 32 32 LYS CB C 13 32.18 0.2 . 1 . . . . . . . . 4825 1 397 . 1 1 32 32 LYS CG C 13 23.46 0.2 . 1 . . . . . . . . 4825 1 398 . 1 1 32 32 LYS CD C 13 29.42 0.2 . 1 . . . . . . . . 4825 1 399 . 1 1 32 32 LYS CE C 13 41.12 0.2 . 1 . . . . . . . . 4825 1 400 . 1 1 32 32 LYS N N 15 112.75 0.1 . 1 . . . . . . . . 4825 1 401 . 1 1 33 33 GLN H H 1 8.76 0.02 . 1 . . . . . . . . 4825 1 402 . 1 1 33 33 GLN HA H 1 3.69 0.02 . 1 . . . . . . . . 4825 1 403 . 1 1 33 33 GLN HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4825 1 404 . 1 1 33 33 GLN HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4825 1 405 . 1 1 33 33 GLN HG2 H 1 2.41 0.02 . 2 . . . . . . . . 4825 1 406 . 1 1 33 33 GLN HG3 H 1 2.52 0.02 . 2 . . . . . . . . 4825 1 407 . 1 1 33 33 GLN C C 13 174.42 0.2 . 1 . . . . . . . . 4825 1 408 . 1 1 33 33 GLN CA C 13 59.71 0.2 . 1 . . . . . . . . 4825 1 409 . 1 1 33 33 GLN CB C 13 28.64 0.2 . 1 . . . . . . . . 4825 1 410 . 1 1 33 33 GLN CG C 13 33.32 0.2 . 1 . . . . . . . . 4825 1 411 . 1 1 33 33 GLN N N 15 120.01 0.1 . 1 . . . . . . . . 4825 1 412 . 1 1 34 34 LYS H H 1 7.75 0.02 . 1 . . . . . . . . 4825 1 413 . 1 1 34 34 LYS HA H 1 5.61 0.02 . 1 . . . . . . . . 4825 1 414 . 1 1 34 34 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4825 1 415 . 1 1 34 34 LYS HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4825 1 416 . 1 1 34 34 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 4825 1 417 . 1 1 34 34 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 4825 1 418 . 1 1 34 34 LYS HD2 H 1 1.61 0.02 . 2 . . . . . . . . 4825 1 419 . 1 1 34 34 LYS HD3 H 1 1.88 0.02 . 2 . . . . . . . . 4825 1 420 . 1 1 34 34 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 4825 1 421 . 1 1 34 34 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 4825 1 422 . 1 1 34 34 LYS C C 13 175.70 0.2 . 1 . . . . . . . . 4825 1 423 . 1 1 34 34 LYS CA C 13 54.81 0.2 . 1 . . . . . . . . 4825 1 424 . 1 1 34 34 LYS CB C 13 36.27 0.2 . 1 . . . . . . . . 4825 1 425 . 1 1 34 34 LYS CG C 13 23.86 0.2 . 1 . . . . . . . . 4825 1 426 . 1 1 34 34 LYS CD C 13 29.26 0.2 . 1 . . . . . . . . 4825 1 427 . 1 1 34 34 LYS CE C 13 41.76 0.2 . 1 . . . . . . . . 4825 1 428 . 1 1 34 34 LYS N N 15 113.20 0.1 . 1 . . . . . . . . 4825 1 429 . 1 1 35 35 ASN H H 1 7.86 0.02 . 1 . . . . . . . . 4825 1 430 . 1 1 35 35 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 4825 1 431 . 1 1 35 35 ASN HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4825 1 432 . 1 1 35 35 ASN HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4825 1 433 . 1 1 35 35 ASN HD21 H 1 3.55 0.02 . 2 . . . . . . . . 4825 1 434 . 1 1 35 35 ASN HD22 H 1 6.36 0.02 . 2 . . . . . . . . 4825 1 435 . 1 1 35 35 ASN C C 13 172.51 0.2 . 1 . . . . . . . . 4825 1 436 . 1 1 35 35 ASN CA C 13 53.51 0.2 . 1 . . . . . . . . 4825 1 437 . 1 1 35 35 ASN CB C 13 40.70 0.2 . 1 . . . . . . . . 4825 1 438 . 1 1 35 35 ASN N N 15 116.57 0.1 . 1 . . . . . . . . 4825 1 439 . 1 1 35 35 ASN ND2 N 15 114.81 0.1 . 1 . . . . . . . . 4825 1 440 . 1 1 36 36 THR H H 1 8.40 0.02 . 1 . . . . . . . . 4825 1 441 . 1 1 36 36 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 4825 1 442 . 1 1 36 36 THR HB H 1 2.73 0.02 . 1 . . . . . . . . 4825 1 443 . 1 1 36 36 THR HG21 H 1 0.77 0.02 . 1 . . . . . . . . 4825 1 444 . 1 1 36 36 THR HG22 H 1 0.77 0.02 . 1 . . . . . . . . 4825 1 445 . 1 1 36 36 THR HG23 H 1 0.77 0.02 . 1 . . . . . . . . 4825 1 446 . 1 1 36 36 THR C C 13 172.26 0.2 . 1 . . . . . . . . 4825 1 447 . 1 1 36 36 THR CA C 13 62.23 0.2 . 1 . . . . . . . . 4825 1 448 . 1 1 36 36 THR CB C 13 70.07 0.2 . 1 . . . . . . . . 4825 1 449 . 1 1 36 36 THR CG2 C 13 22.66 0.2 . 1 . . . . . . . . 4825 1 450 . 1 1 36 36 THR N N 15 125.43 0.1 . 1 . . . . . . . . 4825 1 451 . 1 1 37 37 PHE H H 1 9.23 0.02 . 1 . . . . . . . . 4825 1 452 . 1 1 37 37 PHE HA H 1 4.67 0.02 . 1 . . . . . . . . 4825 1 453 . 1 1 37 37 PHE HB2 H 1 2.55 0.02 . 2 . . . . . . . . 4825 1 454 . 1 1 37 37 PHE HB3 H 1 3.10 0.02 . 2 . . . . . . . . 4825 1 455 . 1 1 37 37 PHE HD1 H 1 7.01 0.02 . 1 . . . . . . . . 4825 1 456 . 1 1 37 37 PHE HD2 H 1 7.01 0.02 . 1 . . . . . . . . 4825 1 457 . 1 1 37 37 PHE HE1 H 1 6.71 0.02 . 1 . . . . . . . . 4825 1 458 . 1 1 37 37 PHE HE2 H 1 6.71 0.02 . 1 . . . . . . . . 4825 1 459 . 1 1 37 37 PHE C C 13 173.96 0.2 . 1 . . . . . . . . 4825 1 460 . 1 1 37 37 PHE CA C 13 56.37 0.2 . 1 . . . . . . . . 4825 1 461 . 1 1 37 37 PHE CB C 13 40.63 0.2 . 1 . . . . . . . . 4825 1 462 . 1 1 37 37 PHE CD1 C 13 132.43 0.2 . 1 . . . . . . . . 4825 1 463 . 1 1 37 37 PHE CD2 C 13 132.43 0.2 . 1 . . . . . . . . 4825 1 464 . 1 1 37 37 PHE CE1 C 13 130.19 0.2 . 1 . . . . . . . . 4825 1 465 . 1 1 37 37 PHE CE2 C 13 130.19 0.2 . 1 . . . . . . . . 4825 1 466 . 1 1 37 37 PHE N N 15 126.48 0.1 . 1 . . . . . . . . 4825 1 467 . 1 1 38 38 ILE H H 1 9.53 0.02 . 1 . . . . . . . . 4825 1 468 . 1 1 38 38 ILE HA H 1 4.40 0.02 . 1 . . . . . . . . 4825 1 469 . 1 1 38 38 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 4825 1 470 . 1 1 38 38 ILE HG12 H 1 1.46 0.02 . 1 . . . . . . . . 4825 1 471 . 1 1 38 38 ILE HG13 H 1 1.46 0.02 . 1 . . . . . . . . 4825 1 472 . 1 1 38 38 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 473 . 1 1 38 38 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 474 . 1 1 38 38 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 475 . 1 1 38 38 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 476 . 1 1 38 38 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 477 . 1 1 38 38 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 478 . 1 1 38 38 ILE C C 13 175.18 0.2 . 1 . . . . . . . . 4825 1 479 . 1 1 38 38 ILE CA C 13 60.53 0.2 . 1 . . . . . . . . 4825 1 480 . 1 1 38 38 ILE CB C 13 39.75 0.2 . 1 . . . . . . . . 4825 1 481 . 1 1 38 38 ILE CG1 C 13 26.25 0.2 . 1 . . . . . . . . 4825 1 482 . 1 1 38 38 ILE CG2 C 13 18.13 0.2 . 1 . . . . . . . . 4825 1 483 . 1 1 38 38 ILE CD1 C 13 14.15 0.2 . 1 . . . . . . . . 4825 1 484 . 1 1 38 38 ILE N N 15 122.54 0.1 . 1 . . . . . . . . 4825 1 485 . 1 1 39 39 TYR H H 1 8.95 0.02 . 1 . . . . . . . . 4825 1 486 . 1 1 39 39 TYR HA H 1 5.36 0.02 . 1 . . . . . . . . 4825 1 487 . 1 1 39 39 TYR HB2 H 1 2.63 0.02 . 2 . . . . . . . . 4825 1 488 . 1 1 39 39 TYR HB3 H 1 3.24 0.02 . 2 . . . . . . . . 4825 1 489 . 1 1 39 39 TYR HD1 H 1 7.00 0.02 . 1 . . . . . . . . 4825 1 490 . 1 1 39 39 TYR HD2 H 1 7.00 0.02 . 1 . . . . . . . . 4825 1 491 . 1 1 39 39 TYR HE1 H 1 6.32 0.02 . 1 . . . . . . . . 4825 1 492 . 1 1 39 39 TYR HE2 H 1 6.32 0.02 . 1 . . . . . . . . 4825 1 493 . 1 1 39 39 TYR C C 13 172.94 0.2 . 1 . . . . . . . . 4825 1 494 . 1 1 39 39 TYR CA C 13 54.94 0.2 . 1 . . . . . . . . 4825 1 495 . 1 1 39 39 TYR CB C 13 37.57 0.2 . 1 . . . . . . . . 4825 1 496 . 1 1 39 39 TYR CD1 C 13 130.12 0.2 . 1 . . . . . . . . 4825 1 497 . 1 1 39 39 TYR CD2 C 13 130.12 0.2 . 1 . . . . . . . . 4825 1 498 . 1 1 39 39 TYR CE1 C 13 129.01 0.2 . 1 . . . . . . . . 4825 1 499 . 1 1 39 39 TYR CE2 C 13 129.01 0.2 . 1 . . . . . . . . 4825 1 500 . 1 1 39 39 TYR N N 15 129.56 0.1 . 1 . . . . . . . . 4825 1 501 . 1 1 40 40 ALA H H 1 7.77 0.02 . 1 . . . . . . . . 4825 1 502 . 1 1 40 40 ALA HA H 1 4.46 0.02 . 1 . . . . . . . . 4825 1 503 . 1 1 40 40 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 4825 1 504 . 1 1 40 40 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 4825 1 505 . 1 1 40 40 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 4825 1 506 . 1 1 40 40 ALA C C 13 175.49 0.2 . 1 . . . . . . . . 4825 1 507 . 1 1 40 40 ALA CA C 13 50.85 0.2 . 1 . . . . . . . . 4825 1 508 . 1 1 40 40 ALA CB C 13 22.58 0.2 . 1 . . . . . . . . 4825 1 509 . 1 1 40 40 ALA N N 15 127.25 0.1 . 1 . . . . . . . . 4825 1 510 . 1 1 41 41 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 4825 1 511 . 1 1 41 41 ARG HA H 1 3.98 0.02 . 1 . . . . . . . . 4825 1 512 . 1 1 41 41 ARG HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4825 1 513 . 1 1 41 41 ARG HB3 H 1 2.20 0.02 . 2 . . . . . . . . 4825 1 514 . 1 1 41 41 ARG HG2 H 1 1.55 0.02 . 1 . . . . . . . . 4825 1 515 . 1 1 41 41 ARG HG3 H 1 1.55 0.02 . 1 . . . . . . . . 4825 1 516 . 1 1 41 41 ARG HD2 H 1 3.04 0.02 . 2 . . . . . . . . 4825 1 517 . 1 1 41 41 ARG HD3 H 1 3.26 0.02 . 2 . . . . . . . . 4825 1 518 . 1 1 41 41 ARG HE H 1 7.27 0.02 . 1 . . . . . . . . 4825 1 519 . 1 1 41 41 ARG C C 13 176.14 0.2 . 1 . . . . . . . . 4825 1 520 . 1 1 41 41 ARG CA C 13 53.65 0.2 . 1 . . . . . . . . 4825 1 521 . 1 1 41 41 ARG CB C 13 28.84 0.2 . 1 . . . . . . . . 4825 1 522 . 1 1 41 41 ARG CG C 13 23.66 0.2 . 1 . . . . . . . . 4825 1 523 . 1 1 41 41 ARG CD C 13 41.83 0.2 . 1 . . . . . . . . 4825 1 524 . 1 1 41 41 ARG N N 15 119.40 0.1 . 1 . . . . . . . . 4825 1 525 . 1 1 41 41 ARG NE N 15 84.67 0.1 . 1 . . . . . . . . 4825 1 526 . 1 1 42 42 PRO HA H 1 4.26 0.02 . 1 . . . . . . . . 4825 1 527 . 1 1 42 42 PRO HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4825 1 528 . 1 1 42 42 PRO HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4825 1 529 . 1 1 42 42 PRO HG2 H 1 2.09 0.02 . 2 . . . . . . . . 4825 1 530 . 1 1 42 42 PRO HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4825 1 531 . 1 1 42 42 PRO HD2 H 1 3.87 0.02 . 1 . . . . . . . . 4825 1 532 . 1 1 42 42 PRO HD3 H 1 3.98 0.02 . 1 . . . . . . . . 4825 1 533 . 1 1 42 42 PRO C C 13 178.88 0.2 . 1 . . . . . . . . 4825 1 534 . 1 1 42 42 PRO CA C 13 65.91 0.2 . 1 . . . . . . . . 4825 1 535 . 1 1 42 42 PRO CB C 13 31.91 0.2 . 1 . . . . . . . . 4825 1 536 . 1 1 42 42 PRO CG C 13 27.44 0.2 . 1 . . . . . . . . 4825 1 537 . 1 1 42 42 PRO CD C 13 49.79 0.2 . 1 . . . . . . . . 4825 1 538 . 1 1 43 43 GLY H H 1 8.90 0.02 . 1 . . . . . . . . 4825 1 539 . 1 1 43 43 GLY HA2 H 1 3.93 0.02 . 1 . . . . . . . . 4825 1 540 . 1 1 43 43 GLY HA3 H 1 3.93 0.02 . 1 . . . . . . . . 4825 1 541 . 1 1 43 43 GLY C C 13 176.37 0.2 . 1 . . . . . . . . 4825 1 542 . 1 1 43 43 GLY CA C 13 46.90 0.2 . 1 . . . . . . . . 4825 1 543 . 1 1 43 43 GLY N N 15 103.36 0.1 . 1 . . . . . . . . 4825 1 544 . 1 1 44 44 ARG H H 1 7.57 0.02 . 1 . . . . . . . . 4825 1 545 . 1 1 44 44 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 4825 1 546 . 1 1 44 44 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4825 1 547 . 1 1 44 44 ARG HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4825 1 548 . 1 1 44 44 ARG HG2 H 1 1.75 0.02 . 1 . . . . . . . . 4825 1 549 . 1 1 44 44 ARG HG3 H 1 1.75 0.02 . 1 . . . . . . . . 4825 1 550 . 1 1 44 44 ARG HD2 H 1 3.16 0.02 . 2 . . . . . . . . 4825 1 551 . 1 1 44 44 ARG HD3 H 1 3.31 0.02 . 2 . . . . . . . . 4825 1 552 . 1 1 44 44 ARG HE H 1 7.19 0.02 . 1 . . . . . . . . 4825 1 553 . 1 1 44 44 ARG C C 13 178.01 0.2 . 1 . . . . . . . . 4825 1 554 . 1 1 44 44 ARG CA C 13 58.08 0.2 . 1 . . . . . . . . 4825 1 555 . 1 1 44 44 ARG CB C 13 30.62 0.2 . 1 . . . . . . . . 4825 1 556 . 1 1 44 44 ARG CG C 13 27.36 0.2 . 1 . . . . . . . . 4825 1 557 . 1 1 44 44 ARG CD C 13 42.95 0.2 . 1 . . . . . . . . 4825 1 558 . 1 1 44 44 ARG N N 15 120.05 0.1 . 1 . . . . . . . . 4825 1 559 . 1 1 44 44 ARG NE N 15 84.49 0.1 . 1 . . . . . . . . 4825 1 560 . 1 1 45 45 VAL H H 1 7.24 0.02 . 1 . . . . . . . . 4825 1 561 . 1 1 45 45 VAL HA H 1 3.87 0.02 . 1 . . . . . . . . 4825 1 562 . 1 1 45 45 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 4825 1 563 . 1 1 45 45 VAL HG11 H 1 0.93 0.02 . 1 . . . . . . . . 4825 1 564 . 1 1 45 45 VAL HG12 H 1 0.93 0.02 . 1 . . . . . . . . 4825 1 565 . 1 1 45 45 VAL HG13 H 1 0.93 0.02 . 1 . . . . . . . . 4825 1 566 . 1 1 45 45 VAL HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4825 1 567 . 1 1 45 45 VAL HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4825 1 568 . 1 1 45 45 VAL HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4825 1 569 . 1 1 45 45 VAL C C 13 177.12 0.2 . 1 . . . . . . . . 4825 1 570 . 1 1 45 45 VAL CA C 13 64.48 0.2 . 1 . . . . . . . . 4825 1 571 . 1 1 45 45 VAL CB C 13 31.91 0.2 . 1 . . . . . . . . 4825 1 572 . 1 1 45 45 VAL CG1 C 13 21.79 0.2 . 1 . . . . . . . . 4825 1 573 . 1 1 45 45 VAL CG2 C 13 22.50 0.2 . 1 . . . . . . . . 4825 1 574 . 1 1 45 45 VAL N N 15 115.71 0.1 . 1 . . . . . . . . 4825 1 575 . 1 1 46 46 GLN H H 1 8.64 0.02 . 1 . . . . . . . . 4825 1 576 . 1 1 46 46 GLN HA H 1 3.10 0.02 . 1 . . . . . . . . 4825 1 577 . 1 1 46 46 GLN HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4825 1 578 . 1 1 46 46 GLN HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4825 1 579 . 1 1 46 46 GLN HG2 H 1 1.94 0.02 . 1 . . . . . . . . 4825 1 580 . 1 1 46 46 GLN HG3 H 1 1.94 0.02 . 1 . . . . . . . . 4825 1 581 . 1 1 46 46 GLN C C 13 178.34 0.2 . 1 . . . . . . . . 4825 1 582 . 1 1 46 46 GLN CA C 13 58.96 0.2 . 1 . . . . . . . . 4825 1 583 . 1 1 46 46 GLN CB C 13 28.10 0.2 . 1 . . . . . . . . 4825 1 584 . 1 1 46 46 GLN CG C 13 33.16 0.2 . 1 . . . . . . . . 4825 1 585 . 1 1 46 46 GLN N N 15 118.23 0.1 . 1 . . . . . . . . 4825 1 586 . 1 1 47 47 ALA H H 1 7.37 0.02 . 1 . . . . . . . . 4825 1 587 . 1 1 47 47 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 4825 1 588 . 1 1 47 47 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 4825 1 589 . 1 1 47 47 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4825 1 590 . 1 1 47 47 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4825 1 591 . 1 1 47 47 ALA C C 13 179.06 0.2 . 1 . . . . . . . . 4825 1 592 . 1 1 47 47 ALA CA C 13 54.33 0.2 . 1 . . . . . . . . 4825 1 593 . 1 1 47 47 ALA CB C 13 18.49 0.2 . 1 . . . . . . . . 4825 1 594 . 1 1 47 47 ALA N N 15 118.19 0.1 . 1 . . . . . . . . 4825 1 595 . 1 1 48 48 LEU H H 1 7.34 0.02 . 1 . . . . . . . . 4825 1 596 . 1 1 48 48 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 4825 1 597 . 1 1 48 48 LEU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4825 1 598 . 1 1 48 48 LEU HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4825 1 599 . 1 1 48 48 LEU HG H 1 0.93 0.02 . 1 . . . . . . . . 4825 1 600 . 1 1 48 48 LEU HD11 H 1 1.02 0.02 . 2 . . . . . . . . 4825 1 601 . 1 1 48 48 LEU HD12 H 1 1.02 0.02 . 2 . . . . . . . . 4825 1 602 . 1 1 48 48 LEU HD13 H 1 1.02 0.02 . 2 . . . . . . . . 4825 1 603 . 1 1 48 48 LEU HD21 H 1 1.28 0.02 . 2 . . . . . . . . 4825 1 604 . 1 1 48 48 LEU HD22 H 1 1.28 0.02 . 2 . . . . . . . . 4825 1 605 . 1 1 48 48 LEU HD23 H 1 1.28 0.02 . 2 . . . . . . . . 4825 1 606 . 1 1 48 48 LEU C C 13 178.40 0.2 . 1 . . . . . . . . 4825 1 607 . 1 1 48 48 LEU CA C 13 56.78 0.2 . 1 . . . . . . . . 4825 1 608 . 1 1 48 48 LEU CB C 13 42.06 0.2 . 1 . . . . . . . . 4825 1 609 . 1 1 48 48 LEU CG C 13 25.68 0.2 . 1 . . . . . . . . 4825 1 610 . 1 1 48 48 LEU CD1 C 13 23.30 0.2 . 1 . . . . . . . . 4825 1 611 . 1 1 48 48 LEU CD2 C 13 23.30 0.2 . 1 . . . . . . . . 4825 1 612 . 1 1 48 48 LEU N N 15 115.73 0.1 . 1 . . . . . . . . 4825 1 613 . 1 1 49 49 CYS H H 1 7.28 0.02 . 1 . . . . . . . . 4825 1 614 . 1 1 49 49 CYS HA H 1 4.87 0.02 . 1 . . . . . . . . 4825 1 615 . 1 1 49 49 CYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4825 1 616 . 1 1 49 49 CYS HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4825 1 617 . 1 1 49 49 CYS C C 13 175.51 0.2 . 1 . . . . . . . . 4825 1 618 . 1 1 49 49 CYS CA C 13 50.72 0.2 . 1 . . . . . . . . 4825 1 619 . 1 1 49 49 CYS CB C 13 36.41 0.2 . 1 . . . . . . . . 4825 1 620 . 1 1 49 49 CYS N N 15 111.35 0.1 . 1 . . . . . . . . 4825 1 621 . 1 1 50 50 LYS H H 1 6.89 0.02 . 1 . . . . . . . . 4825 1 622 . 1 1 50 50 LYS HA H 1 3.92 0.02 . 1 . . . . . . . . 4825 1 623 . 1 1 50 50 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 4825 1 624 . 1 1 50 50 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 4825 1 625 . 1 1 50 50 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 4825 1 626 . 1 1 50 50 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 4825 1 627 . 1 1 50 50 LYS HD2 H 1 1.44 0.02 . 2 . . . . . . . . 4825 1 628 . 1 1 50 50 LYS HD3 H 1 1.68 0.02 . 2 . . . . . . . . 4825 1 629 . 1 1 50 50 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 4825 1 630 . 1 1 50 50 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 4825 1 631 . 1 1 50 50 LYS C C 13 175.60 0.2 . 1 . . . . . . . . 4825 1 632 . 1 1 50 50 LYS CA C 13 59.17 0.2 . 1 . . . . . . . . 4825 1 633 . 1 1 50 50 LYS CB C 13 32.59 0.2 . 1 . . . . . . . . 4825 1 634 . 1 1 50 50 LYS CG C 13 23.46 0.2 . 1 . . . . . . . . 4825 1 635 . 1 1 50 50 LYS CD C 13 29.03 0.2 . 1 . . . . . . . . 4825 1 636 . 1 1 50 50 LYS CE C 13 41.52 0.2 . 1 . . . . . . . . 4825 1 637 . 1 1 50 50 LYS N N 15 119.12 0.1 . 1 . . . . . . . . 4825 1 638 . 1 1 51 51 ASN H H 1 8.45 0.02 . 1 . . . . . . . . 4825 1 639 . 1 1 51 51 ASN HA H 1 4.75 0.02 . 1 . . . . . . . . 4825 1 640 . 1 1 51 51 ASN HB2 H 1 2.64 0.02 . 2 . . . . . . . . 4825 1 641 . 1 1 51 51 ASN HB3 H 1 2.99 0.02 . 2 . . . . . . . . 4825 1 642 . 1 1 51 51 ASN HD21 H 1 6.87 0.02 . 2 . . . . . . . . 4825 1 643 . 1 1 51 51 ASN HD22 H 1 7.48 0.02 . 2 . . . . . . . . 4825 1 644 . 1 1 51 51 ASN C C 13 174.48 0.2 . 1 . . . . . . . . 4825 1 645 . 1 1 51 51 ASN CA C 13 52.83 0.2 . 1 . . . . . . . . 4825 1 646 . 1 1 51 51 ASN CB C 13 38.79 0.2 . 1 . . . . . . . . 4825 1 647 . 1 1 51 51 ASN N N 15 114.41 0.1 . 1 . . . . . . . . 4825 1 648 . 1 1 51 51 ASN ND2 N 15 112.51 0.1 . 1 . . . . . . . . 4825 1 649 . 1 1 52 52 ILE H H 1 7.74 0.02 . 1 . . . . . . . . 4825 1 650 . 1 1 52 52 ILE HA H 1 3.99 0.02 . 1 . . . . . . . . 4825 1 651 . 1 1 52 52 ILE HB H 1 1.64 0.02 . 1 . . . . . . . . 4825 1 652 . 1 1 52 52 ILE HG12 H 1 1.10 0.02 . 2 . . . . . . . . 4825 1 653 . 1 1 52 52 ILE HG13 H 1 1.33 0.02 . 2 . . . . . . . . 4825 1 654 . 1 1 52 52 ILE HG21 H 1 0.74 0.02 . 1 . . . . . . . . 4825 1 655 . 1 1 52 52 ILE HG22 H 1 0.74 0.02 . 1 . . . . . . . . 4825 1 656 . 1 1 52 52 ILE HG23 H 1 0.74 0.02 . 1 . . . . . . . . 4825 1 657 . 1 1 52 52 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 4825 1 658 . 1 1 52 52 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 4825 1 659 . 1 1 52 52 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 4825 1 660 . 1 1 52 52 ILE C C 13 173.54 0.2 . 1 . . . . . . . . 4825 1 661 . 1 1 52 52 ILE CA C 13 60.53 0.2 . 1 . . . . . . . . 4825 1 662 . 1 1 52 52 ILE CB C 13 37.43 0.2 . 1 . . . . . . . . 4825 1 663 . 1 1 52 52 ILE CG1 C 13 26.32 0.2 . 1 . . . . . . . . 4825 1 664 . 1 1 52 52 ILE CG2 C 13 18.92 0.2 . 1 . . . . . . . . 4825 1 665 . 1 1 52 52 ILE CD1 C 13 11.84 0.2 . 1 . . . . . . . . 4825 1 666 . 1 1 52 52 ILE N N 15 121.92 0.1 . 1 . . . . . . . . 4825 1 667 . 1 1 53 53 ILE H H 1 8.33 0.02 . 1 . . . . . . . . 4825 1 668 . 1 1 53 53 ILE HA H 1 3.88 0.02 . 1 . . . . . . . . 4825 1 669 . 1 1 53 53 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 4825 1 670 . 1 1 53 53 ILE HG12 H 1 1.00 0.02 . 2 . . . . . . . . 4825 1 671 . 1 1 53 53 ILE HG13 H 1 1.44 0.02 . 2 . . . . . . . . 4825 1 672 . 1 1 53 53 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 673 . 1 1 53 53 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 674 . 1 1 53 53 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 675 . 1 1 53 53 ILE HD11 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 676 . 1 1 53 53 ILE HD12 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 677 . 1 1 53 53 ILE HD13 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 678 . 1 1 53 53 ILE C C 13 177.03 0.2 . 1 . . . . . . . . 4825 1 679 . 1 1 53 53 ILE CA C 13 62.91 0.2 . 1 . . . . . . . . 4825 1 680 . 1 1 53 53 ILE CB C 13 38.52 0.2 . 1 . . . . . . . . 4825 1 681 . 1 1 53 53 ILE CG1 C 13 27.75 0.2 . 1 . . . . . . . . 4825 1 682 . 1 1 53 53 ILE CG2 C 13 17.17 0.2 . 1 . . . . . . . . 4825 1 683 . 1 1 53 53 ILE CD1 C 13 12.00 0.2 . 1 . . . . . . . . 4825 1 684 . 1 1 53 53 ILE N N 15 126.48 0.1 . 1 . . . . . . . . 4825 1 685 . 1 1 54 54 VAL H H 1 7.68 0.02 . 1 . . . . . . . . 4825 1 686 . 1 1 54 54 VAL HA H 1 3.91 0.02 . 1 . . . . . . . . 4825 1 687 . 1 1 54 54 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . 4825 1 688 . 1 1 54 54 VAL HG11 H 1 0.98 0.02 . 1 . . . . . . . . 4825 1 689 . 1 1 54 54 VAL HG12 H 1 0.98 0.02 . 1 . . . . . . . . 4825 1 690 . 1 1 54 54 VAL HG13 H 1 0.98 0.02 . 1 . . . . . . . . 4825 1 691 . 1 1 54 54 VAL HG21 H 1 0.98 0.02 . 1 . . . . . . . . 4825 1 692 . 1 1 54 54 VAL HG22 H 1 0.98 0.02 . 1 . . . . . . . . 4825 1 693 . 1 1 54 54 VAL HG23 H 1 0.98 0.02 . 1 . . . . . . . . 4825 1 694 . 1 1 54 54 VAL C C 13 174.69 0.2 . 1 . . . . . . . . 4825 1 695 . 1 1 54 54 VAL CA C 13 62.16 0.2 . 1 . . . . . . . . 4825 1 696 . 1 1 54 54 VAL CB C 13 31.71 0.2 . 1 . . . . . . . . 4825 1 697 . 1 1 54 54 VAL CG1 C 13 20.83 0.2 . 1 . . . . . . . . 4825 1 698 . 1 1 54 54 VAL CG2 C 13 20.83 0.2 . 1 . . . . . . . . 4825 1 699 . 1 1 54 54 VAL N N 15 121.28 0.1 . 1 . . . . . . . . 4825 1 700 . 1 1 55 55 SER H H 1 8.00 0.02 . 1 . . . . . . . . 4825 1 701 . 1 1 55 55 SER HA H 1 4.93 0.02 . 1 . . . . . . . . 4825 1 702 . 1 1 55 55 SER HB2 H 1 3.70 0.02 . 2 . . . . . . . . 4825 1 703 . 1 1 55 55 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 4825 1 704 . 1 1 55 55 SER C C 13 175.15 0.2 . 1 . . . . . . . . 4825 1 705 . 1 1 55 55 SER CA C 13 58.28 0.2 . 1 . . . . . . . . 4825 1 706 . 1 1 55 55 SER CB C 13 63.26 0.2 . 1 . . . . . . . . 4825 1 707 . 1 1 55 55 SER N N 15 116.75 0.1 . 1 . . . . . . . . 4825 1 708 . 1 1 56 56 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 4825 1 709 . 1 1 56 56 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 4825 1 710 . 1 1 56 56 LYS HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4825 1 711 . 1 1 56 56 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4825 1 712 . 1 1 56 56 LYS HG2 H 1 1.35 0.02 . 2 . . . . . . . . 4825 1 713 . 1 1 56 56 LYS HG3 H 1 1.45 0.02 . 2 . . . . . . . . 4825 1 714 . 1 1 56 56 LYS HD2 H 1 1.77 0.02 . 1 . . . . . . . . 4825 1 715 . 1 1 56 56 LYS HD3 H 1 1.77 0.02 . 1 . . . . . . . . 4825 1 716 . 1 1 56 56 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4825 1 717 . 1 1 56 56 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4825 1 718 . 1 1 56 56 LYS C C 13 174.37 0.2 . 1 . . . . . . . . 4825 1 719 . 1 1 56 56 LYS CA C 13 55.76 0.2 . 1 . . . . . . . . 4825 1 720 . 1 1 56 56 LYS CB C 13 35.79 0.2 . 1 . . . . . . . . 4825 1 721 . 1 1 56 56 LYS CG C 13 23.62 0.2 . 1 . . . . . . . . 4825 1 722 . 1 1 56 56 LYS CD C 13 28.95 0.2 . 1 . . . . . . . . 4825 1 723 . 1 1 56 56 LYS CE C 13 41.76 0.2 . 1 . . . . . . . . 4825 1 724 . 1 1 56 56 LYS N N 15 125.43 0.1 . 1 . . . . . . . . 4825 1 725 . 1 1 57 57 ASN H H 1 8.47 0.02 . 1 . . . . . . . . 4825 1 726 . 1 1 57 57 ASN HA H 1 5.67 0.02 . 1 . . . . . . . . 4825 1 727 . 1 1 57 57 ASN HB2 H 1 2.57 0.02 . 2 . . . . . . . . 4825 1 728 . 1 1 57 57 ASN HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4825 1 729 . 1 1 57 57 ASN HD21 H 1 6.97 0.02 . 2 . . . . . . . . 4825 1 730 . 1 1 57 57 ASN HD22 H 1 7.56 0.02 . 2 . . . . . . . . 4825 1 731 . 1 1 57 57 ASN C C 13 175.10 0.2 . 1 . . . . . . . . 4825 1 732 . 1 1 57 57 ASN CA C 13 51.67 0.2 . 1 . . . . . . . . 4825 1 733 . 1 1 57 57 ASN CB C 13 37.63 0.2 . 1 . . . . . . . . 4825 1 734 . 1 1 57 57 ASN N N 15 123.38 0.1 . 1 . . . . . . . . 4825 1 735 . 1 1 57 57 ASN ND2 N 15 110.13 0.1 . 1 . . . . . . . . 4825 1 736 . 1 1 58 58 VAL H H 1 9.41 0.02 . 1 . . . . . . . . 4825 1 737 . 1 1 58 58 VAL HA H 1 4.28 0.02 . 1 . . . . . . . . 4825 1 738 . 1 1 58 58 VAL HB H 1 1.86 0.02 . 1 . . . . . . . . 4825 1 739 . 1 1 58 58 VAL HG11 H 1 0.82 0.02 . 1 . . . . . . . . 4825 1 740 . 1 1 58 58 VAL HG12 H 1 0.82 0.02 . 1 . . . . . . . . 4825 1 741 . 1 1 58 58 VAL HG13 H 1 0.82 0.02 . 1 . . . . . . . . 4825 1 742 . 1 1 58 58 VAL HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4825 1 743 . 1 1 58 58 VAL HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4825 1 744 . 1 1 58 58 VAL HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4825 1 745 . 1 1 58 58 VAL C C 13 172.14 0.2 . 1 . . . . . . . . 4825 1 746 . 1 1 58 58 VAL CA C 13 60.19 0.2 . 1 . . . . . . . . 4825 1 747 . 1 1 58 58 VAL CB C 13 35.59 0.2 . 1 . . . . . . . . 4825 1 748 . 1 1 58 58 VAL CG1 C 13 18.84 0.2 . 1 . . . . . . . . 4825 1 749 . 1 1 58 58 VAL CG2 C 13 20.67 0.2 . 1 . . . . . . . . 4825 1 750 . 1 1 58 58 VAL N N 15 122.14 0.1 . 1 . . . . . . . . 4825 1 751 . 1 1 59 59 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 4825 1 752 . 1 1 59 59 LEU HA H 1 5.20 0.02 . 1 . . . . . . . . 4825 1 753 . 1 1 59 59 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 4825 1 754 . 1 1 59 59 LEU HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4825 1 755 . 1 1 59 59 LEU HG H 1 0.90 0.02 . 1 . . . . . . . . 4825 1 756 . 1 1 59 59 LEU HD11 H 1 0.50 0.02 . 1 . . . . . . . . 4825 1 757 . 1 1 59 59 LEU HD12 H 1 0.50 0.02 . 1 . . . . . . . . 4825 1 758 . 1 1 59 59 LEU HD13 H 1 0.50 0.02 . 1 . . . . . . . . 4825 1 759 . 1 1 59 59 LEU HD21 H 1 0.55 0.02 . 1 . . . . . . . . 4825 1 760 . 1 1 59 59 LEU HD22 H 1 0.55 0.02 . 1 . . . . . . . . 4825 1 761 . 1 1 59 59 LEU HD23 H 1 0.55 0.02 . 1 . . . . . . . . 4825 1 762 . 1 1 59 59 LEU C C 13 177.82 0.2 . 1 . . . . . . . . 4825 1 763 . 1 1 59 59 LEU CA C 13 51.94 0.2 . 1 . . . . . . . . 4825 1 764 . 1 1 59 59 LEU CB C 13 44.31 0.2 . 1 . . . . . . . . 4825 1 765 . 1 1 59 59 LEU CG C 13 26.16 0.2 . 1 . . . . . . . . 4825 1 766 . 1 1 59 59 LEU CD1 C 13 21.39 0.2 . 1 . . . . . . . . 4825 1 767 . 1 1 59 59 LEU CD2 C 13 21.39 0.2 . 1 . . . . . . . . 4825 1 768 . 1 1 59 59 LEU N N 15 125.86 0.1 . 1 . . . . . . . . 4825 1 769 . 1 1 60 60 SER H H 1 9.52 0.02 . 1 . . . . . . . . 4825 1 770 . 1 1 60 60 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4825 1 771 . 1 1 60 60 SER HB2 H 1 4.10 0.02 . 1 . . . . . . . . 4825 1 772 . 1 1 60 60 SER HB3 H 1 4.10 0.02 . 1 . . . . . . . . 4825 1 773 . 1 1 60 60 SER C C 13 172.42 0.2 . 1 . . . . . . . . 4825 1 774 . 1 1 60 60 SER CA C 13 59.03 0.2 . 1 . . . . . . . . 4825 1 775 . 1 1 60 60 SER CB C 13 64.75 0.2 . 1 . . . . . . . . 4825 1 776 . 1 1 60 60 SER N N 15 124.69 0.1 . 1 . . . . . . . . 4825 1 777 . 1 1 61 61 THR H H 1 8.26 0.02 . 1 . . . . . . . . 4825 1 778 . 1 1 61 61 THR HA H 1 4.21 0.02 . 1 . . . . . . . . 4825 1 779 . 1 1 61 61 THR HB H 1 4.31 0.02 . 1 . . . . . . . . 4825 1 780 . 1 1 61 61 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4825 1 781 . 1 1 61 61 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4825 1 782 . 1 1 61 61 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4825 1 783 . 1 1 61 61 THR C C 13 175.21 0.2 . 1 . . . . . . . . 4825 1 784 . 1 1 61 61 THR CA C 13 62.78 0.2 . 1 . . . . . . . . 4825 1 785 . 1 1 61 61 THR CB C 13 68.57 0.2 . 1 . . . . . . . . 4825 1 786 . 1 1 61 61 THR CG2 C 13 21.63 0.2 . 1 . . . . . . . . 4825 1 787 . 1 1 61 61 THR N N 15 111.40 0.1 . 1 . . . . . . . . 4825 1 788 . 1 1 62 62 ASP H H 1 8.05 0.02 . 1 . . . . . . . . 4825 1 789 . 1 1 62 62 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 4825 1 790 . 1 1 62 62 ASP HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4825 1 791 . 1 1 62 62 ASP HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4825 1 792 . 1 1 62 62 ASP C C 13 175.81 0.2 . 1 . . . . . . . . 4825 1 793 . 1 1 62 62 ASP CA C 13 52.35 0.2 . 1 . . . . . . . . 4825 1 794 . 1 1 62 62 ASP CB C 13 42.00 0.2 . 1 . . . . . . . . 4825 1 795 . 1 1 62 62 ASP N N 15 119.24 0.1 . 1 . . . . . . . . 4825 1 796 . 1 1 63 63 GLU H H 1 8.33 0.02 . 1 . . . . . . . . 4825 1 797 . 1 1 63 63 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 4825 1 798 . 1 1 63 63 GLU HB2 H 1 1.48 0.02 . 2 . . . . . . . . 4825 1 799 . 1 1 63 63 GLU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4825 1 800 . 1 1 63 63 GLU HG2 H 1 2.02 0.02 . 2 . . . . . . . . 4825 1 801 . 1 1 63 63 GLU HG3 H 1 2.32 0.02 . 2 . . . . . . . . 4825 1 802 . 1 1 63 63 GLU C C 13 175.36 0.2 . 1 . . . . . . . . 4825 1 803 . 1 1 63 63 GLU CA C 13 55.62 0.2 . 1 . . . . . . . . 4825 1 804 . 1 1 63 63 GLU CB C 13 30.41 0.2 . 1 . . . . . . . . 4825 1 805 . 1 1 63 63 GLU CG C 13 42.87 0.2 . 1 . . . . . . . . 4825 1 806 . 1 1 63 63 GLU N N 15 118.20 0.1 . 1 . . . . . . . . 4825 1 807 . 1 1 64 64 PHE H H 1 8.80 0.02 . 1 . . . . . . . . 4825 1 808 . 1 1 64 64 PHE HA H 1 4.42 0.02 . 1 . . . . . . . . 4825 1 809 . 1 1 64 64 PHE HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4825 1 810 . 1 1 64 64 PHE HB3 H 1 2.92 0.02 . 2 . . . . . . . . 4825 1 811 . 1 1 64 64 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 4825 1 812 . 1 1 64 64 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 4825 1 813 . 1 1 64 64 PHE HE1 H 1 7.05 0.02 . 1 . . . . . . . . 4825 1 814 . 1 1 64 64 PHE HE2 H 1 7.05 0.02 . 1 . . . . . . . . 4825 1 815 . 1 1 64 64 PHE HZ H 1 7.16 0.02 . 1 . . . . . . . . 4825 1 816 . 1 1 64 64 PHE C C 13 174.85 0.2 . 1 . . . . . . . . 4825 1 817 . 1 1 64 64 PHE CA C 13 56.24 0.2 . 1 . . . . . . . . 4825 1 818 . 1 1 64 64 PHE CB C 13 42.95 0.2 . 1 . . . . . . . . 4825 1 819 . 1 1 64 64 PHE CD1 C 13 131.80 0.2 . 1 . . . . . . . . 4825 1 820 . 1 1 64 64 PHE CD2 C 13 131.80 0.2 . 1 . . . . . . . . 4825 1 821 . 1 1 64 64 PHE CE1 C 13 130.15 0.2 . 1 . . . . . . . . 4825 1 822 . 1 1 64 64 PHE CE2 C 13 130.15 0.2 . 1 . . . . . . . . 4825 1 823 . 1 1 64 64 PHE CZ C 13 128.73 0.2 . 1 . . . . . . . . 4825 1 824 . 1 1 64 64 PHE N N 15 120.38 0.1 . 1 . . . . . . . . 4825 1 825 . 1 1 65 65 TYR H H 1 9.52 0.02 . 1 . . . . . . . . 4825 1 826 . 1 1 65 65 TYR HA H 1 4.93 0.02 . 1 . . . . . . . . 4825 1 827 . 1 1 65 65 TYR HB2 H 1 3.03 0.02 . 2 . . . . . . . . 4825 1 828 . 1 1 65 65 TYR HB3 H 1 3.48 0.02 . 2 . . . . . . . . 4825 1 829 . 1 1 65 65 TYR HD1 H 1 7.31 0.02 . 1 . . . . . . . . 4825 1 830 . 1 1 65 65 TYR HD2 H 1 7.31 0.02 . 1 . . . . . . . . 4825 1 831 . 1 1 65 65 TYR HE1 H 1 6.89 0.02 . 1 . . . . . . . . 4825 1 832 . 1 1 65 65 TYR HE2 H 1 6.89 0.02 . 1 . . . . . . . . 4825 1 833 . 1 1 65 65 TYR C C 13 175.18 0.2 . 1 . . . . . . . . 4825 1 834 . 1 1 65 65 TYR CA C 13 58.01 0.2 . 1 . . . . . . . . 4825 1 835 . 1 1 65 65 TYR CB C 13 37.84 0.2 . 1 . . . . . . . . 4825 1 836 . 1 1 65 65 TYR CD1 C 13 129.01 0.2 . 1 . . . . . . . . 4825 1 837 . 1 1 65 65 TYR CD2 C 13 129.01 0.2 . 1 . . . . . . . . 4825 1 838 . 1 1 65 65 TYR CE1 C 13 118.34 0.2 . 1 . . . . . . . . 4825 1 839 . 1 1 65 65 TYR CE2 C 13 118.34 0.2 . 1 . . . . . . . . 4825 1 840 . 1 1 65 65 TYR N N 15 119.31 0.1 . 1 . . . . . . . . 4825 1 841 . 1 1 66 66 LEU H H 1 9.30 0.02 . 1 . . . . . . . . 4825 1 842 . 1 1 66 66 LEU HA H 1 5.32 0.02 . 1 . . . . . . . . 4825 1 843 . 1 1 66 66 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4825 1 844 . 1 1 66 66 LEU HB3 H 1 1.21 0.02 . 2 . . . . . . . . 4825 1 845 . 1 1 66 66 LEU HG H 1 0.83 0.02 . 1 . . . . . . . . 4825 1 846 . 1 1 66 66 LEU HD11 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 847 . 1 1 66 66 LEU HD12 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 848 . 1 1 66 66 LEU HD13 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 849 . 1 1 66 66 LEU HD21 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 850 . 1 1 66 66 LEU HD22 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 851 . 1 1 66 66 LEU HD23 H 1 0.70 0.02 . 1 . . . . . . . . 4825 1 852 . 1 1 66 66 LEU C C 13 177.79 0.2 . 1 . . . . . . . . 4825 1 853 . 1 1 66 66 LEU CA C 13 53.51 0.2 . 1 . . . . . . . . 4825 1 854 . 1 1 66 66 LEU CB C 13 43.43 0.2 . 1 . . . . . . . . 4825 1 855 . 1 1 66 66 LEU CG C 13 26.72 0.2 . 1 . . . . . . . . 4825 1 856 . 1 1 66 66 LEU CD1 C 13 24.25 0.2 . 1 . . . . . . . . 4825 1 857 . 1 1 66 66 LEU CD2 C 13 24.25 0.2 . 1 . . . . . . . . 4825 1 858 . 1 1 66 66 LEU N N 15 126.11 0.1 . 1 . . . . . . . . 4825 1 859 . 1 1 67 67 SER H H 1 9.41 0.02 . 1 . . . . . . . . 4825 1 860 . 1 1 67 67 SER HA H 1 5.09 0.02 . 1 . . . . . . . . 4825 1 861 . 1 1 67 67 SER HB2 H 1 3.74 0.02 . 2 . . . . . . . . 4825 1 862 . 1 1 67 67 SER HB3 H 1 3.87 0.02 . 2 . . . . . . . . 4825 1 863 . 1 1 67 67 SER C C 13 171.93 0.2 . 1 . . . . . . . . 4825 1 864 . 1 1 67 67 SER CA C 13 57.60 0.2 . 1 . . . . . . . . 4825 1 865 . 1 1 67 67 SER CB C 13 65.44 0.2 . 1 . . . . . . . . 4825 1 866 . 1 1 67 67 SER N N 15 120.72 0.1 . 1 . . . . . . . . 4825 1 867 . 1 1 68 68 ASP H H 1 9.36 0.02 . 1 . . . . . . . . 4825 1 868 . 1 1 68 68 ASP HA H 1 5.52 0.02 . 1 . . . . . . . . 4825 1 869 . 1 1 68 68 ASP HB2 H 1 2.44 0.02 . 2 . . . . . . . . 4825 1 870 . 1 1 68 68 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 4825 1 871 . 1 1 68 68 ASP C C 13 175.96 0.2 . 1 . . . . . . . . 4825 1 872 . 1 1 68 68 ASP CA C 13 52.97 0.2 . 1 . . . . . . . . 4825 1 873 . 1 1 68 68 ASP CB C 13 43.56 0.2 . 1 . . . . . . . . 4825 1 874 . 1 1 68 68 ASP N N 15 125.31 0.1 . 1 . . . . . . . . 4825 1 875 . 1 1 69 69 CYS H H 1 8.51 0.02 . 1 . . . . . . . . 4825 1 876 . 1 1 69 69 CYS HA H 1 5.23 0.02 . 1 . . . . . . . . 4825 1 877 . 1 1 69 69 CYS HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4825 1 878 . 1 1 69 69 CYS HB3 H 1 2.73 0.02 . 2 . . . . . . . . 4825 1 879 . 1 1 69 69 CYS C C 13 173.04 0.2 . 1 . . . . . . . . 4825 1 880 . 1 1 69 69 CYS CA C 13 53.10 0.2 . 1 . . . . . . . . 4825 1 881 . 1 1 69 69 CYS CB C 13 38.79 0.2 . 1 . . . . . . . . 4825 1 882 . 1 1 69 69 CYS N N 15 119.24 0.1 . 1 . . . . . . . . 4825 1 883 . 1 1 70 70 ASN H H 1 8.57 0.02 . 1 . . . . . . . . 4825 1 884 . 1 1 70 70 ASN HA H 1 5.44 0.02 . 1 . . . . . . . . 4825 1 885 . 1 1 70 70 ASN HB2 H 1 2.68 0.02 . 1 . . . . . . . . 4825 1 886 . 1 1 70 70 ASN HB3 H 1 2.68 0.02 . 1 . . . . . . . . 4825 1 887 . 1 1 70 70 ASN HD21 H 1 7.06 0.02 . 1 . . . . . . . . 4825 1 888 . 1 1 70 70 ASN HD22 H 1 7.28 0.02 . 1 . . . . . . . . 4825 1 889 . 1 1 70 70 ASN C C 13 173.90 0.2 . 1 . . . . . . . . 4825 1 890 . 1 1 70 70 ASN CA C 13 51.74 0.2 . 1 . . . . . . . . 4825 1 891 . 1 1 70 70 ASN CB C 13 41.18 0.2 . 1 . . . . . . . . 4825 1 892 . 1 1 70 70 ASN N N 15 122.32 0.1 . 1 . . . . . . . . 4825 1 893 . 1 1 70 70 ASN ND2 N 15 111.60 0.1 . 1 . . . . . . . . 4825 1 894 . 1 1 71 71 ARG H H 1 9.44 0.02 . 1 . . . . . . . . 4825 1 895 . 1 1 71 71 ARG HA H 1 3.05 0.02 . 1 . . . . . . . . 4825 1 896 . 1 1 71 71 ARG HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4825 1 897 . 1 1 71 71 ARG HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4825 1 898 . 1 1 71 71 ARG HG2 H 1 0.56 0.02 . 2 . . . . . . . . 4825 1 899 . 1 1 71 71 ARG HG3 H 1 0.97 0.02 . 2 . . . . . . . . 4825 1 900 . 1 1 71 71 ARG HD2 H 1 2.73 0.02 . 2 . . . . . . . . 4825 1 901 . 1 1 71 71 ARG HD3 H 1 2.98 0.02 . 2 . . . . . . . . 4825 1 902 . 1 1 71 71 ARG HE H 1 6.92 0.02 . 1 . . . . . . . . 4825 1 903 . 1 1 71 71 ARG C C 13 176.23 0.2 . 1 . . . . . . . . 4825 1 904 . 1 1 71 71 ARG CA C 13 57.94 0.2 . 1 . . . . . . . . 4825 1 905 . 1 1 71 71 ARG CB C 13 31.30 0.2 . 1 . . . . . . . . 4825 1 906 . 1 1 71 71 ARG CG C 13 26.32 0.2 . 1 . . . . . . . . 4825 1 907 . 1 1 71 71 ARG CD C 13 43.35 0.2 . 1 . . . . . . . . 4825 1 908 . 1 1 71 71 ARG N N 15 129.10 0.1 . 1 . . . . . . . . 4825 1 909 . 1 1 71 71 ARG NE N 15 83.43 0.1 . 1 . . . . . . . . 4825 1 910 . 1 1 72 72 ILE H H 1 8.85 0.02 . 1 . . . . . . . . 4825 1 911 . 1 1 72 72 ILE HA H 1 4.53 0.02 . 1 . . . . . . . . 4825 1 912 . 1 1 72 72 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 4825 1 913 . 1 1 72 72 ILE HG12 H 1 0.82 0.02 . 2 . . . . . . . . 4825 1 914 . 1 1 72 72 ILE HG13 H 1 1.06 0.02 . 2 . . . . . . . . 4825 1 915 . 1 1 72 72 ILE HG21 H 1 0.74 0.02 . 1 . . . . . . . . 4825 1 916 . 1 1 72 72 ILE HG22 H 1 0.74 0.02 . 1 . . . . . . . . 4825 1 917 . 1 1 72 72 ILE HG23 H 1 0.74 0.02 . 1 . . . . . . . . 4825 1 918 . 1 1 72 72 ILE HD11 H 1 0.64 0.02 . 1 . . . . . . . . 4825 1 919 . 1 1 72 72 ILE HD12 H 1 0.64 0.02 . 1 . . . . . . . . 4825 1 920 . 1 1 72 72 ILE HD13 H 1 0.64 0.02 . 1 . . . . . . . . 4825 1 921 . 1 1 72 72 ILE C C 13 175.57 0.2 . 1 . . . . . . . . 4825 1 922 . 1 1 72 72 ILE CA C 13 60.53 0.2 . 1 . . . . . . . . 4825 1 923 . 1 1 72 72 ILE CB C 13 40.29 0.2 . 1 . . . . . . . . 4825 1 924 . 1 1 72 72 ILE CG1 C 13 25.76 0.2 . 1 . . . . . . . . 4825 1 925 . 1 1 72 72 ILE CG2 C 13 18.21 0.2 . 1 . . . . . . . . 4825 1 926 . 1 1 72 72 ILE CD1 C 13 13.59 0.2 . 1 . . . . . . . . 4825 1 927 . 1 1 72 72 ILE N N 15 121.62 0.1 . 1 . . . . . . . . 4825 1 928 . 1 1 73 73 LYS H H 1 7.60 0.02 . 1 . . . . . . . . 4825 1 929 . 1 1 73 73 LYS HA H 1 4.45 0.02 . 1 . . . . . . . . 4825 1 930 . 1 1 73 73 LYS HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4825 1 931 . 1 1 73 73 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4825 1 932 . 1 1 73 73 LYS HG2 H 1 1.53 0.02 . 1 . . . . . . . . 4825 1 933 . 1 1 73 73 LYS HG3 H 1 1.53 0.02 . 1 . . . . . . . . 4825 1 934 . 1 1 73 73 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 4825 1 935 . 1 1 73 73 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 4825 1 936 . 1 1 73 73 LYS HE2 H 1 2.73 0.02 . 1 . . . . . . . . 4825 1 937 . 1 1 73 73 LYS HE3 H 1 2.73 0.02 . 1 . . . . . . . . 4825 1 938 . 1 1 73 73 LYS C C 13 173.97 0.2 . 1 . . . . . . . . 4825 1 939 . 1 1 73 73 LYS CA C 13 55.83 0.2 . 1 . . . . . . . . 4825 1 940 . 1 1 73 73 LYS CB C 13 36.54 0.2 . 1 . . . . . . . . 4825 1 941 . 1 1 73 73 LYS CG C 13 24.40 0.2 . 1 . . . . . . . . 4825 1 942 . 1 1 73 73 LYS CD C 13 28.85 0.2 . 1 . . . . . . . . 4825 1 943 . 1 1 73 73 LYS CE C 13 41.82 0.2 . 1 . . . . . . . . 4825 1 944 . 1 1 73 73 LYS N N 15 122.91 0.1 . 1 . . . . . . . . 4825 1 945 . 1 1 74 74 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 4825 1 946 . 1 1 74 74 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 4825 1 947 . 1 1 74 74 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4825 1 948 . 1 1 74 74 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4825 1 949 . 1 1 74 74 LEU HG H 1 1.40 0.02 . 1 . . . . . . . . 4825 1 950 . 1 1 74 74 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 4825 1 951 . 1 1 74 74 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 4825 1 952 . 1 1 74 74 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 4825 1 953 . 1 1 74 74 LEU HD21 H 1 0.81 0.02 . 1 . . . . . . . . 4825 1 954 . 1 1 74 74 LEU HD22 H 1 0.81 0.02 . 1 . . . . . . . . 4825 1 955 . 1 1 74 74 LEU HD23 H 1 0.81 0.02 . 1 . . . . . . . . 4825 1 956 . 1 1 74 74 LEU C C 13 176.70 0.2 . 1 . . . . . . . . 4825 1 957 . 1 1 74 74 LEU CA C 13 53.72 0.2 . 1 . . . . . . . . 4825 1 958 . 1 1 74 74 LEU CB C 13 40.36 0.2 . 1 . . . . . . . . 4825 1 959 . 1 1 74 74 LEU CG C 13 25.41 0.2 . 1 . . . . . . . . 4825 1 960 . 1 1 74 74 LEU CD1 C 13 24.73 0.2 . 1 . . . . . . . . 4825 1 961 . 1 1 74 74 LEU CD2 C 13 21.46 0.2 . 1 . . . . . . . . 4825 1 962 . 1 1 74 74 LEU N N 15 125.20 0.1 . 1 . . . . . . . . 4825 1 963 . 1 1 75 75 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 4825 1 964 . 1 1 75 75 PRO HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4825 1 965 . 1 1 75 75 PRO HB3 H 1 2.49 0.02 . 2 . . . . . . . . 4825 1 966 . 1 1 75 75 PRO HG2 H 1 1.88 0.02 . 2 . . . . . . . . 4825 1 967 . 1 1 75 75 PRO HG3 H 1 1.96 0.02 . 2 . . . . . . . . 4825 1 968 . 1 1 75 75 PRO HD2 H 1 3.50 0.02 . 2 . . . . . . . . 4825 1 969 . 1 1 75 75 PRO HD3 H 1 3.68 0.02 . 2 . . . . . . . . 4825 1 970 . 1 1 75 75 PRO C C 13 178.06 0.2 . 1 . . . . . . . . 4825 1 971 . 1 1 75 75 PRO CA C 13 63.80 0.2 . 1 . . . . . . . . 4825 1 972 . 1 1 75 75 PRO CB C 13 34.09 0.2 . 1 . . . . . . . . 4825 1 973 . 1 1 75 75 PRO CG C 13 24.41 0.2 . 1 . . . . . . . . 4825 1 974 . 1 1 75 75 PRO CD C 13 50.35 0.2 . 1 . . . . . . . . 4825 1 975 . 1 1 76 76 CYS H H 1 8.22 0.02 . 1 . . . . . . . . 4825 1 976 . 1 1 76 76 CYS HA H 1 4.70 0.02 . 1 . . . . . . . . 4825 1 977 . 1 1 76 76 CYS HB2 H 1 2.45 0.02 . 2 . . . . . . . . 4825 1 978 . 1 1 76 76 CYS HB3 H 1 4.05 0.02 . 2 . . . . . . . . 4825 1 979 . 1 1 76 76 CYS C C 13 172.57 0.2 . 1 . . . . . . . . 4825 1 980 . 1 1 76 76 CYS CA C 13 60.12 0.2 . 1 . . . . . . . . 4825 1 981 . 1 1 76 76 CYS CB C 13 51.47 0.2 . 1 . . . . . . . . 4825 1 982 . 1 1 76 76 CYS N N 15 122.54 0.1 . 1 . . . . . . . . 4825 1 983 . 1 1 77 77 HIS H H 1 8.03 0.02 . 1 . . . . . . . . 4825 1 984 . 1 1 77 77 HIS HA H 1 5.56 0.02 . 1 . . . . . . . . 4825 1 985 . 1 1 77 77 HIS HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4825 1 986 . 1 1 77 77 HIS HB3 H 1 3.11 0.02 . 2 . . . . . . . . 4825 1 987 . 1 1 77 77 HIS HD2 H 1 6.77 0.02 . 1 . . . . . . . . 4825 1 988 . 1 1 77 77 HIS HE1 H 1 8.61 0.02 . 1 . . . . . . . . 4825 1 989 . 1 1 77 77 HIS C C 13 174.08 0.2 . 1 . . . . . . . . 4825 1 990 . 1 1 77 77 HIS CA C 13 53.51 0.2 . 1 . . . . . . . . 4825 1 991 . 1 1 77 77 HIS CB C 13 30.21 0.2 . 1 . . . . . . . . 4825 1 992 . 1 1 77 77 HIS CD2 C 13 118.30 0.2 . 1 . . . . . . . . 4825 1 993 . 1 1 77 77 HIS CE1 C 13 137.06 0.2 . 1 . . . . . . . . 4825 1 994 . 1 1 77 77 HIS N N 15 116.20 0.1 . 1 . . . . . . . . 4825 1 995 . 1 1 78 78 TYR H H 1 9.53 0.02 . 1 . . . . . . . . 4825 1 996 . 1 1 78 78 TYR HA H 1 4.72 0.02 . 1 . . . . . . . . 4825 1 997 . 1 1 78 78 TYR HB2 H 1 2.46 0.02 . 2 . . . . . . . . 4825 1 998 . 1 1 78 78 TYR HB3 H 1 2.77 0.02 . 2 . . . . . . . . 4825 1 999 . 1 1 78 78 TYR HD1 H 1 6.35 0.02 . 1 . . . . . . . . 4825 1 1000 . 1 1 78 78 TYR HD2 H 1 6.35 0.02 . 1 . . . . . . . . 4825 1 1001 . 1 1 78 78 TYR HE1 H 1 6.56 0.02 . 1 . . . . . . . . 4825 1 1002 . 1 1 78 78 TYR HE2 H 1 6.56 0.02 . 1 . . . . . . . . 4825 1 1003 . 1 1 78 78 TYR C C 13 174.84 0.2 . 1 . . . . . . . . 4825 1 1004 . 1 1 78 78 TYR CA C 13 58.35 0.2 . 1 . . . . . . . . 4825 1 1005 . 1 1 78 78 TYR CB C 13 43.22 0.2 . 1 . . . . . . . . 4825 1 1006 . 1 1 78 78 TYR CD1 C 13 130.62 0.2 . 1 . . . . . . . . 4825 1 1007 . 1 1 78 78 TYR CD2 C 13 130.62 0.2 . 1 . . . . . . . . 4825 1 1008 . 1 1 78 78 TYR CE1 C 13 117.24 0.2 . 1 . . . . . . . . 4825 1 1009 . 1 1 78 78 TYR CE2 C 13 117.24 0.2 . 1 . . . . . . . . 4825 1 1010 . 1 1 78 78 TYR N N 15 126.29 0.1 . 1 . . . . . . . . 4825 1 1011 . 1 1 79 79 LYS H H 1 8.80 0.02 . 1 . . . . . . . . 4825 1 1012 . 1 1 79 79 LYS HA H 1 4.52 0.02 . 1 . . . . . . . . 4825 1 1013 . 1 1 79 79 LYS HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4825 1 1014 . 1 1 79 79 LYS HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4825 1 1015 . 1 1 79 79 LYS HG2 H 1 1.39 0.02 . 1 . . . . . . . . 4825 1 1016 . 1 1 79 79 LYS HG3 H 1 1.39 0.02 . 1 . . . . . . . . 4825 1 1017 . 1 1 79 79 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 4825 1 1018 . 1 1 79 79 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 4825 1 1019 . 1 1 79 79 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4825 1 1020 . 1 1 79 79 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4825 1 1021 . 1 1 79 79 LYS C C 13 174.51 0.2 . 1 . . . . . . . . 4825 1 1022 . 1 1 79 79 LYS CA C 13 54.67 0.2 . 1 . . . . . . . . 4825 1 1023 . 1 1 79 79 LYS CB C 13 36.27 0.2 . 1 . . . . . . . . 4825 1 1024 . 1 1 79 79 LYS CG C 13 24.49 0.2 . 1 . . . . . . . . 4825 1 1025 . 1 1 79 79 LYS CD C 13 28.87 0.2 . 1 . . . . . . . . 4825 1 1026 . 1 1 79 79 LYS CE C 13 41.83 0.2 . 1 . . . . . . . . 4825 1 1027 . 1 1 79 79 LYS N N 15 119.55 0.1 . 1 . . . . . . . . 4825 1 1028 . 1 1 80 80 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 4825 1 1029 . 1 1 80 80 LEU HA H 1 5.27 0.02 . 1 . . . . . . . . 4825 1 1030 . 1 1 80 80 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4825 1 1031 . 1 1 80 80 LEU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4825 1 1032 . 1 1 80 80 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 4825 1 1033 . 1 1 80 80 LEU HD11 H 1 1.08 0.02 . 1 . . . . . . . . 4825 1 1034 . 1 1 80 80 LEU HD12 H 1 1.08 0.02 . 1 . . . . . . . . 4825 1 1035 . 1 1 80 80 LEU HD13 H 1 1.08 0.02 . 1 . . . . . . . . 4825 1 1036 . 1 1 80 80 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 4825 1 1037 . 1 1 80 80 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 4825 1 1038 . 1 1 80 80 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 4825 1 1039 . 1 1 80 80 LEU C C 13 176.31 0.2 . 1 . . . . . . . . 4825 1 1040 . 1 1 80 80 LEU CA C 13 54.26 0.2 . 1 . . . . . . . . 4825 1 1041 . 1 1 80 80 LEU CB C 13 43.36 0.2 . 1 . . . . . . . . 4825 1 1042 . 1 1 80 80 LEU CG C 13 26.32 0.2 . 1 . . . . . . . . 4825 1 1043 . 1 1 80 80 LEU CD1 C 13 23.30 0.2 . 1 . . . . . . . . 4825 1 1044 . 1 1 80 80 LEU CD2 C 13 23.30 0.2 . 1 . . . . . . . . 4825 1 1045 . 1 1 80 80 LEU N N 15 128.36 0.1 . 1 . . . . . . . . 4825 1 1046 . 1 1 81 81 LYS H H 1 9.32 0.02 . 1 . . . . . . . . 4825 1 1047 . 1 1 81 81 LYS HA H 1 4.81 0.02 . 1 . . . . . . . . 4825 1 1048 . 1 1 81 81 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 4825 1 1049 . 1 1 81 81 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4825 1 1050 . 1 1 81 81 LYS HG2 H 1 1.33 0.02 . 1 . . . . . . . . 4825 1 1051 . 1 1 81 81 LYS HG3 H 1 1.33 0.02 . 1 . . . . . . . . 4825 1 1052 . 1 1 81 81 LYS HD2 H 1 1.44 0.02 . 1 . . . . . . . . 4825 1 1053 . 1 1 81 81 LYS HD3 H 1 1.44 0.02 . 1 . . . . . . . . 4825 1 1054 . 1 1 81 81 LYS HE2 H 1 2.73 0.02 . 2 . . . . . . . . 4825 1 1055 . 1 1 81 81 LYS HE3 H 1 2.99 0.02 . 2 . . . . . . . . 4825 1 1056 . 1 1 81 81 LYS C C 13 175.84 0.2 . 1 . . . . . . . . 4825 1 1057 . 1 1 81 81 LYS CA C 13 54.81 0.2 . 1 . . . . . . . . 4825 1 1058 . 1 1 81 81 LYS CB C 13 35.45 0.2 . 1 . . . . . . . . 4825 1 1059 . 1 1 81 81 LYS CG C 13 24.65 0.2 . 1 . . . . . . . . 4825 1 1060 . 1 1 81 81 LYS CD C 13 28.71 0.2 . 1 . . . . . . . . 4825 1 1061 . 1 1 81 81 LYS CE C 13 41.76 0.2 . 1 . . . . . . . . 4825 1 1062 . 1 1 81 81 LYS N N 15 128.29 0.1 . 1 . . . . . . . . 4825 1 1063 . 1 1 82 82 LYS H H 1 9.18 0.02 . 1 . . . . . . . . 4825 1 1064 . 1 1 82 82 LYS HA H 1 5.31 0.02 . 1 . . . . . . . . 4825 1 1065 . 1 1 82 82 LYS HB2 H 1 1.57 0.02 . 2 . . . . . . . . 4825 1 1066 . 1 1 82 82 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4825 1 1067 . 1 1 82 82 LYS HG2 H 1 1.31 0.02 . 1 . . . . . . . . 4825 1 1068 . 1 1 82 82 LYS HG3 H 1 1.31 0.02 . 1 . . . . . . . . 4825 1 1069 . 1 1 82 82 LYS HD2 H 1 1.43 0.02 . 1 . . . . . . . . 4825 1 1070 . 1 1 82 82 LYS HD3 H 1 1.43 0.02 . 1 . . . . . . . . 4825 1 1071 . 1 1 82 82 LYS HE2 H 1 2.64 0.02 . 2 . . . . . . . . 4825 1 1072 . 1 1 82 82 LYS HE3 H 1 2.82 0.02 . 2 . . . . . . . . 4825 1 1073 . 1 1 82 82 LYS C C 13 175.63 0.2 . 1 . . . . . . . . 4825 1 1074 . 1 1 82 82 LYS CA C 13 55.69 0.2 . 1 . . . . . . . . 4825 1 1075 . 1 1 82 82 LYS CB C 13 34.09 0.2 . 1 . . . . . . . . 4825 1 1076 . 1 1 82 82 LYS CG C 13 25.05 0.2 . 1 . . . . . . . . 4825 1 1077 . 1 1 82 82 LYS CD C 13 29.26 0.2 . 1 . . . . . . . . 4825 1 1078 . 1 1 82 82 LYS CE C 13 41.44 0.2 . 1 . . . . . . . . 4825 1 1079 . 1 1 82 82 LYS N N 15 130.11 0.1 . 1 . . . . . . . . 4825 1 1080 . 1 1 83 83 SER H H 1 8.86 0.02 . 1 . . . . . . . . 4825 1 1081 . 1 1 83 83 SER HA H 1 4.77 0.02 . 1 . . . . . . . . 4825 1 1082 . 1 1 83 83 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 4825 1 1083 . 1 1 83 83 SER HB3 H 1 3.96 0.02 . 2 . . . . . . . . 4825 1 1084 . 1 1 83 83 SER C C 13 172.48 0.2 . 1 . . . . . . . . 4825 1 1085 . 1 1 83 83 SER CA C 13 58.21 0.2 . 1 . . . . . . . . 4825 1 1086 . 1 1 83 83 SER CB C 13 65.44 0.2 . 1 . . . . . . . . 4825 1 1087 . 1 1 83 83 SER N N 15 116.44 0.1 . 1 . . . . . . . . 4825 1 1088 . 1 1 84 84 SER H H 1 8.30 0.02 . 1 . . . . . . . . 4825 1 1089 . 1 1 84 84 SER HA H 1 5.71 0.02 . 1 . . . . . . . . 4825 1 1090 . 1 1 84 84 SER HB2 H 1 3.59 0.02 . 2 . . . . . . . . 4825 1 1091 . 1 1 84 84 SER HB3 H 1 3.65 0.02 . 2 . . . . . . . . 4825 1 1092 . 1 1 84 84 SER C C 13 173.76 0.2 . 1 . . . . . . . . 4825 1 1093 . 1 1 84 84 SER CA C 13 56.44 0.2 . 1 . . . . . . . . 4825 1 1094 . 1 1 84 84 SER CB C 13 64.03 0.2 . 1 . . . . . . . . 4825 1 1095 . 1 1 84 84 SER N N 15 114.04 0.1 . 1 . . . . . . . . 4825 1 1096 . 1 1 85 85 ASN H H 1 9.08 0.02 . 1 . . . . . . . . 4825 1 1097 . 1 1 85 85 ASN HA H 1 4.87 0.02 . 1 . . . . . . . . 4825 1 1098 . 1 1 85 85 ASN HB2 H 1 2.60 0.02 . 2 . . . . . . . . 4825 1 1099 . 1 1 85 85 ASN HB3 H 1 3.03 0.02 . 2 . . . . . . . . 4825 1 1100 . 1 1 85 85 ASN HD21 H 1 7.34 0.02 . 2 . . . . . . . . 4825 1 1101 . 1 1 85 85 ASN HD22 H 1 7.80 0.02 . 2 . . . . . . . . 4825 1 1102 . 1 1 85 85 ASN C C 13 175.90 0.2 . 1 . . . . . . . . 4825 1 1103 . 1 1 85 85 ASN CA C 13 52.08 0.2 . 1 . . . . . . . . 4825 1 1104 . 1 1 85 85 ASN CB C 13 43.56 0.2 . 1 . . . . . . . . 4825 1 1105 . 1 1 85 85 ASN N N 15 121.64 0.1 . 1 . . . . . . . . 4825 1 1106 . 1 1 85 85 ASN ND2 N 15 110.82 0.1 . 1 . . . . . . . . 4825 1 1107 . 1 1 86 86 THR H H 1 9.04 0.02 . 1 . . . . . . . . 4825 1 1108 . 1 1 86 86 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 4825 1 1109 . 1 1 86 86 THR HB H 1 4.38 0.02 . 1 . . . . . . . . 4825 1 1110 . 1 1 86 86 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4825 1 1111 . 1 1 86 86 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4825 1 1112 . 1 1 86 86 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4825 1 1113 . 1 1 86 86 THR C C 13 175.31 0.2 . 1 . . . . . . . . 4825 1 1114 . 1 1 86 86 THR CA C 13 60.87 0.2 . 1 . . . . . . . . 4825 1 1115 . 1 1 86 86 THR CB C 13 69.05 0.2 . 1 . . . . . . . . 4825 1 1116 . 1 1 86 86 THR CG2 C 13 22.66 0.2 . 1 . . . . . . . . 4825 1 1117 . 1 1 86 86 THR N N 15 112.23 0.1 . 1 . . . . . . . . 4825 1 1118 . 1 1 87 87 ILE H H 1 8.39 0.02 . 1 . . . . . . . . 4825 1 1119 . 1 1 87 87 ILE HA H 1 4.89 0.02 . 1 . . . . . . . . 4825 1 1120 . 1 1 87 87 ILE HB H 1 1.56 0.02 . 1 . . . . . . . . 4825 1 1121 . 1 1 87 87 ILE HG12 H 1 1.03 0.02 . 2 . . . . . . . . 4825 1 1122 . 1 1 87 87 ILE HG13 H 1 1.39 0.02 . 2 . . . . . . . . 4825 1 1123 . 1 1 87 87 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 4825 1 1124 . 1 1 87 87 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 4825 1 1125 . 1 1 87 87 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 4825 1 1126 . 1 1 87 87 ILE HD11 H 1 0.08 0.02 . 1 . . . . . . . . 4825 1 1127 . 1 1 87 87 ILE HD12 H 1 0.08 0.02 . 1 . . . . . . . . 4825 1 1128 . 1 1 87 87 ILE HD13 H 1 0.08 0.02 . 1 . . . . . . . . 4825 1 1129 . 1 1 87 87 ILE C C 13 172.23 0.2 . 1 . . . . . . . . 4825 1 1130 . 1 1 87 87 ILE CA C 13 59.30 0.2 . 1 . . . . . . . . 4825 1 1131 . 1 1 87 87 ILE CB C 13 41.65 0.2 . 1 . . . . . . . . 4825 1 1132 . 1 1 87 87 ILE CG1 C 13 23.30 0.2 . 1 . . . . . . . . 4825 1 1133 . 1 1 87 87 ILE CG2 C 13 18.37 0.2 . 1 . . . . . . . . 4825 1 1134 . 1 1 87 87 ILE CD1 C 13 12.80 0.2 . 1 . . . . . . . . 4825 1 1135 . 1 1 87 87 ILE N N 15 109.46 0.1 . 1 . . . . . . . . 4825 1 1136 . 1 1 88 88 CYS H H 1 8.80 0.02 . 1 . . . . . . . . 4825 1 1137 . 1 1 88 88 CYS HA H 1 5.74 0.02 . 1 . . . . . . . . 4825 1 1138 . 1 1 88 88 CYS HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4825 1 1139 . 1 1 88 88 CYS HB3 H 1 3.10 0.02 . 2 . . . . . . . . 4825 1 1140 . 1 1 88 88 CYS C C 13 174.17 0.2 . 1 . . . . . . . . 4825 1 1141 . 1 1 88 88 CYS CA C 13 54.60 0.2 . 1 . . . . . . . . 4825 1 1142 . 1 1 88 88 CYS CB C 13 46.22 0.2 . 1 . . . . . . . . 4825 1 1143 . 1 1 88 88 CYS N N 15 122.91 0.1 . 1 . . . . . . . . 4825 1 1144 . 1 1 89 89 ILE H H 1 8.93 0.02 . 1 . . . . . . . . 4825 1 1145 . 1 1 89 89 ILE HA H 1 4.83 0.02 . 1 . . . . . . . . 4825 1 1146 . 1 1 89 89 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 4825 1 1147 . 1 1 89 89 ILE HG12 H 1 0.91 0.02 . 2 . . . . . . . . 4825 1 1148 . 1 1 89 89 ILE HG13 H 1 1.28 0.02 . 2 . . . . . . . . 4825 1 1149 . 1 1 89 89 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 4825 1 1150 . 1 1 89 89 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 4825 1 1151 . 1 1 89 89 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 4825 1 1152 . 1 1 89 89 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 4825 1 1153 . 1 1 89 89 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 4825 1 1154 . 1 1 89 89 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 4825 1 1155 . 1 1 89 89 ILE C C 13 173.29 0.2 . 1 . . . . . . . . 4825 1 1156 . 1 1 89 89 ILE CA C 13 57.80 0.2 . 1 . . . . . . . . 4825 1 1157 . 1 1 89 89 ILE CB C 13 41.86 0.2 . 1 . . . . . . . . 4825 1 1158 . 1 1 89 89 ILE CG1 C 13 25.13 0.2 . 1 . . . . . . . . 4825 1 1159 . 1 1 89 89 ILE CG2 C 13 17.97 0.2 . 1 . . . . . . . . 4825 1 1160 . 1 1 89 89 ILE CD1 C 13 14.79 0.2 . 1 . . . . . . . . 4825 1 1161 . 1 1 89 89 ILE N N 15 122.97 0.1 . 1 . . . . . . . . 4825 1 1162 . 1 1 90 90 THR H H 1 8.81 0.02 . 1 . . . . . . . . 4825 1 1163 . 1 1 90 90 THR HA H 1 4.95 0.02 . 1 . . . . . . . . 4825 1 1164 . 1 1 90 90 THR HB H 1 3.73 0.02 . 1 . . . . . . . . 4825 1 1165 . 1 1 90 90 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4825 1 1166 . 1 1 90 90 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4825 1 1167 . 1 1 90 90 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4825 1 1168 . 1 1 90 90 THR C C 13 174.42 0.2 . 1 . . . . . . . . 4825 1 1169 . 1 1 90 90 THR CA C 13 62.03 0.2 . 1 . . . . . . . . 4825 1 1170 . 1 1 90 90 THR CB C 13 69.11 0.2 . 1 . . . . . . . . 4825 1 1171 . 1 1 90 90 THR CG2 C 13 22.74 0.2 . 1 . . . . . . . . 4825 1 1172 . 1 1 90 90 THR N N 15 118.38 0.1 . 1 . . . . . . . . 4825 1 1173 . 1 1 91 91 CYS H H 1 8.89 0.02 . 1 . . . . . . . . 4825 1 1174 . 1 1 91 91 CYS HA H 1 5.23 0.02 . 1 . . . . . . . . 4825 1 1175 . 1 1 91 91 CYS HB2 H 1 2.52 0.02 . 2 . . . . . . . . 4825 1 1176 . 1 1 91 91 CYS HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4825 1 1177 . 1 1 91 91 CYS C C 13 172.99 0.2 . 1 . . . . . . . . 4825 1 1178 . 1 1 91 91 CYS CA C 13 52.28 0.2 . 1 . . . . . . . . 4825 1 1179 . 1 1 91 91 CYS CB C 13 39.07 0.2 . 1 . . . . . . . . 4825 1 1180 . 1 1 91 91 CYS N N 15 126.79 0.1 . 1 . . . . . . . . 4825 1 1181 . 1 1 92 92 GLU H H 1 9.05 0.02 . 1 . . . . . . . . 4825 1 1182 . 1 1 92 92 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4825 1 1183 . 1 1 92 92 GLU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4825 1 1184 . 1 1 92 92 GLU HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4825 1 1185 . 1 1 92 92 GLU HG2 H 1 2.10 0.02 . 2 . . . . . . . . 4825 1 1186 . 1 1 92 92 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 4825 1 1187 . 1 1 92 92 GLU C C 13 176.15 0.2 . 1 . . . . . . . . 4825 1 1188 . 1 1 92 92 GLU CA C 13 56.71 0.2 . 1 . . . . . . . . 4825 1 1189 . 1 1 92 92 GLU CB C 13 33.34 0.2 . 1 . . . . . . . . 4825 1 1190 . 1 1 92 92 GLU CG C 13 36.11 0.2 . 1 . . . . . . . . 4825 1 1191 . 1 1 92 92 GLU N N 15 119.00 0.1 . 1 . . . . . . . . 4825 1 1192 . 1 1 93 93 ASN H H 1 10.17 0.02 . 1 . . . . . . . . 4825 1 1193 . 1 1 93 93 ASN HA H 1 4.32 0.02 . 1 . . . . . . . . 4825 1 1194 . 1 1 93 93 ASN HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4825 1 1195 . 1 1 93 93 ASN HB3 H 1 3.09 0.02 . 2 . . . . . . . . 4825 1 1196 . 1 1 93 93 ASN HD21 H 1 6.75 0.02 . 2 . . . . . . . . 4825 1 1197 . 1 1 93 93 ASN HD22 H 1 7.52 0.02 . 2 . . . . . . . . 4825 1 1198 . 1 1 93 93 ASN C C 13 173.35 0.2 . 1 . . . . . . . . 4825 1 1199 . 1 1 93 93 ASN CA C 13 54.47 0.2 . 1 . . . . . . . . 4825 1 1200 . 1 1 93 93 ASN CB C 13 37.23 0.2 . 1 . . . . . . . . 4825 1 1201 . 1 1 93 93 ASN N N 15 128.33 0.1 . 1 . . . . . . . . 4825 1 1202 . 1 1 93 93 ASN ND2 N 15 111.35 0.1 . 1 . . . . . . . . 4825 1 1203 . 1 1 94 94 LYS H H 1 8.64 0.02 . 1 . . . . . . . . 4825 1 1204 . 1 1 94 94 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4825 1 1205 . 1 1 94 94 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 4825 1 1206 . 1 1 94 94 LYS HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4825 1 1207 . 1 1 94 94 LYS HG2 H 1 0.96 0.02 . 2 . . . . . . . . 4825 1 1208 . 1 1 94 94 LYS HG3 H 1 1.03 0.02 . 2 . . . . . . . . 4825 1 1209 . 1 1 94 94 LYS HD2 H 1 1.52 0.02 . 1 . . . . . . . . 4825 1 1210 . 1 1 94 94 LYS HD3 H 1 1.52 0.02 . 1 . . . . . . . . 4825 1 1211 . 1 1 94 94 LYS HE2 H 1 2.80 0.02 . 1 . . . . . . . . 4825 1 1212 . 1 1 94 94 LYS HE3 H 1 2.80 0.02 . 1 . . . . . . . . 4825 1 1213 . 1 1 94 94 LYS C C 13 175.30 0.2 . 1 . . . . . . . . 4825 1 1214 . 1 1 94 94 LYS CA C 13 57.40 0.2 . 1 . . . . . . . . 4825 1 1215 . 1 1 94 94 LYS CB C 13 29.66 0.2 . 1 . . . . . . . . 4825 1 1216 . 1 1 94 94 LYS CG C 13 25.33 0.2 . 1 . . . . . . . . 4825 1 1217 . 1 1 94 94 LYS CD C 13 29.28 0.2 . 1 . . . . . . . . 4825 1 1218 . 1 1 94 94 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 4825 1 1219 . 1 1 94 94 LYS N N 15 105.45 0.1 . 1 . . . . . . . . 4825 1 1220 . 1 1 95 95 LEU H H 1 7.45 0.02 . 1 . . . . . . . . 4825 1 1221 . 1 1 95 95 LEU HA H 1 4.58 0.02 . 1 . . . . . . . . 4825 1 1222 . 1 1 95 95 LEU HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4825 1 1223 . 1 1 95 95 LEU HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4825 1 1224 . 1 1 95 95 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 4825 1 1225 . 1 1 95 95 LEU HD11 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 1226 . 1 1 95 95 LEU HD12 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 1227 . 1 1 95 95 LEU HD13 H 1 0.80 0.02 . 1 . . . . . . . . 4825 1 1228 . 1 1 95 95 LEU HD21 H 1 0.13 0.02 . 1 . . . . . . . . 4825 1 1229 . 1 1 95 95 LEU HD22 H 1 0.13 0.02 . 1 . . . . . . . . 4825 1 1230 . 1 1 95 95 LEU HD23 H 1 0.13 0.02 . 1 . . . . . . . . 4825 1 1231 . 1 1 95 95 LEU C C 13 173.41 0.2 . 1 . . . . . . . . 4825 1 1232 . 1 1 95 95 LEU CA C 13 50.99 0.2 . 1 . . . . . . . . 4825 1 1233 . 1 1 95 95 LEU CB C 13 45.27 0.2 . 1 . . . . . . . . 4825 1 1234 . 1 1 95 95 LEU CG C 13 27.44 0.2 . 1 . . . . . . . . 4825 1 1235 . 1 1 95 95 LEU CD1 C 13 24.95 0.2 . 1 . . . . . . . . 4825 1 1236 . 1 1 95 95 LEU CD2 C 13 22.14 0.2 . 1 . . . . . . . . 4825 1 1237 . 1 1 95 95 LEU N N 15 117.64 0.1 . 1 . . . . . . . . 4825 1 1238 . 1 1 96 96 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4825 1 1239 . 1 1 96 96 PRO HB2 H 1 0.94 0.02 . 2 . . . . . . . . 4825 1 1240 . 1 1 96 96 PRO HB3 H 1 1.13 0.02 . 2 . . . . . . . . 4825 1 1241 . 1 1 96 96 PRO HG2 H 1 1.20 0.02 . 2 . . . . . . . . 4825 1 1242 . 1 1 96 96 PRO HG3 H 1 1.39 0.02 . 2 . . . . . . . . 4825 1 1243 . 1 1 96 96 PRO HD2 H 1 2.35 0.02 . 2 . . . . . . . . 4825 1 1244 . 1 1 96 96 PRO HD3 H 1 2.94 0.02 . 2 . . . . . . . . 4825 1 1245 . 1 1 96 96 PRO C C 13 176.55 0.2 . 1 . . . . . . . . 4825 1 1246 . 1 1 96 96 PRO CA C 13 61.82 0.2 . 1 . . . . . . . . 4825 1 1247 . 1 1 96 96 PRO CB C 13 30.48 0.2 . 1 . . . . . . . . 4825 1 1248 . 1 1 96 96 PRO CG C 13 27.44 0.2 . 1 . . . . . . . . 4825 1 1249 . 1 1 96 96 PRO CD C 13 49.47 0.2 . 1 . . . . . . . . 4825 1 1250 . 1 1 97 97 VAL H H 1 8.56 0.02 . 1 . . . . . . . . 4825 1 1251 . 1 1 97 97 VAL HA H 1 4.60 0.02 . 1 . . . . . . . . 4825 1 1252 . 1 1 97 97 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4825 1 1253 . 1 1 97 97 VAL HG11 H 1 0.66 0.02 . 1 . . . . . . . . 4825 1 1254 . 1 1 97 97 VAL HG12 H 1 0.66 0.02 . 1 . . . . . . . . 4825 1 1255 . 1 1 97 97 VAL HG13 H 1 0.66 0.02 . 1 . . . . . . . . 4825 1 1256 . 1 1 97 97 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 1257 . 1 1 97 97 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 1258 . 1 1 97 97 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 1259 . 1 1 97 97 VAL C C 13 176.27 0.2 . 1 . . . . . . . . 4825 1 1260 . 1 1 97 97 VAL CA C 13 60.60 0.2 . 1 . . . . . . . . 4825 1 1261 . 1 1 97 97 VAL CB C 13 34.50 0.2 . 1 . . . . . . . . 4825 1 1262 . 1 1 97 97 VAL CG1 C 13 18.37 0.2 . 1 . . . . . . . . 4825 1 1263 . 1 1 97 97 VAL CG2 C 13 22.03 0.2 . 1 . . . . . . . . 4825 1 1264 . 1 1 97 97 VAL N N 15 109.30 0.1 . 1 . . . . . . . . 4825 1 1265 . 1 1 98 98 HIS H H 1 7.28 0.02 . 1 . . . . . . . . 4825 1 1266 . 1 1 98 98 HIS HA H 1 5.59 0.02 . 1 . . . . . . . . 4825 1 1267 . 1 1 98 98 HIS HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4825 1 1268 . 1 1 98 98 HIS HB3 H 1 3.14 0.02 . 2 . . . . . . . . 4825 1 1269 . 1 1 98 98 HIS HD2 H 1 7.07 0.02 . 1 . . . . . . . . 4825 1 1270 . 1 1 98 98 HIS HE1 H 1 8.60 0.02 . 1 . . . . . . . . 4825 1 1271 . 1 1 98 98 HIS C C 13 173.36 0.2 . 1 . . . . . . . . 4825 1 1272 . 1 1 98 98 HIS CA C 13 54.67 0.2 . 1 . . . . . . . . 4825 1 1273 . 1 1 98 98 HIS CB C 13 32.12 0.2 . 1 . . . . . . . . 4825 1 1274 . 1 1 98 98 HIS CD2 C 13 119.84 0.2 . 1 . . . . . . . . 4825 1 1275 . 1 1 98 98 HIS CE1 C 13 137.04 0.2 . 1 . . . . . . . . 4825 1 1276 . 1 1 98 98 HIS N N 15 115.99 0.1 . 1 . . . . . . . . 4825 1 1277 . 1 1 99 99 PHE HA H 1 4.42 0.02 . 1 . . . . . . . . 4825 1 1278 . 1 1 99 99 PHE HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4825 1 1279 . 1 1 99 99 PHE HB3 H 1 2.49 0.02 . 2 . . . . . . . . 4825 1 1280 . 1 1 99 99 PHE HD1 H 1 6.69 0.02 . 1 . . . . . . . . 4825 1 1281 . 1 1 99 99 PHE HD2 H 1 6.69 0.02 . 1 . . . . . . . . 4825 1 1282 . 1 1 99 99 PHE HE1 H 1 6.98 0.02 . 1 . . . . . . . . 4825 1 1283 . 1 1 99 99 PHE HE2 H 1 6.98 0.02 . 1 . . . . . . . . 4825 1 1284 . 1 1 99 99 PHE C C 13 173.14 0.2 . 1 . . . . . . . . 4825 1 1285 . 1 1 99 99 PHE CA C 13 58.08 0.2 . 1 . . . . . . . . 4825 1 1286 . 1 1 99 99 PHE CB C 13 38.59 0.2 . 1 . . . . . . . . 4825 1 1287 . 1 1 99 99 PHE CD1 C 13 130.19 0.2 . 1 . . . . . . . . 4825 1 1288 . 1 1 99 99 PHE CD2 C 13 130.19 0.2 . 1 . . . . . . . . 4825 1 1289 . 1 1 99 99 PHE CE1 C 13 130.15 0.2 . 1 . . . . . . . . 4825 1 1290 . 1 1 99 99 PHE CE2 C 13 130.15 0.2 . 1 . . . . . . . . 4825 1 1291 . 1 1 100 100 VAL H H 1 7.84 0.02 . 1 . . . . . . . . 4825 1 1292 . 1 1 100 100 VAL HA H 1 3.66 0.02 . 1 . . . . . . . . 4825 1 1293 . 1 1 100 100 VAL HB H 1 1.19 0.02 . 1 . . . . . . . . 4825 1 1294 . 1 1 100 100 VAL HG11 H 1 0.60 0.02 . 1 . . . . . . . . 4825 1 1295 . 1 1 100 100 VAL HG12 H 1 0.60 0.02 . 1 . . . . . . . . 4825 1 1296 . 1 1 100 100 VAL HG13 H 1 0.60 0.02 . 1 . . . . . . . . 4825 1 1297 . 1 1 100 100 VAL HG21 H 1 0.72 0.02 . 1 . . . . . . . . 4825 1 1298 . 1 1 100 100 VAL HG22 H 1 0.72 0.02 . 1 . . . . . . . . 4825 1 1299 . 1 1 100 100 VAL HG23 H 1 0.72 0.02 . 1 . . . . . . . . 4825 1 1300 . 1 1 100 100 VAL C C 13 175.24 0.2 . 1 . . . . . . . . 4825 1 1301 . 1 1 100 100 VAL CA C 13 64.14 0.2 . 1 . . . . . . . . 4825 1 1302 . 1 1 100 100 VAL CB C 13 33.07 0.2 . 1 . . . . . . . . 4825 1 1303 . 1 1 100 100 VAL CG1 C 13 21.15 0.2 . 1 . . . . . . . . 4825 1 1304 . 1 1 100 100 VAL CG2 C 13 21.15 0.2 . 1 . . . . . . . . 4825 1 1305 . 1 1 100 100 VAL N N 15 127.62 0.1 . 1 . . . . . . . . 4825 1 1306 . 1 1 101 101 ALA H H 1 7.31 0.02 . 1 . . . . . . . . 4825 1 1307 . 1 1 101 101 ALA HA H 1 4.43 0.02 . 1 . . . . . . . . 4825 1 1308 . 1 1 101 101 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 4825 1 1309 . 1 1 101 101 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 4825 1 1310 . 1 1 101 101 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 4825 1 1311 . 1 1 101 101 ALA C C 13 174.67 0.2 . 1 . . . . . . . . 4825 1 1312 . 1 1 101 101 ALA CA C 13 51.54 0.2 . 1 . . . . . . . . 4825 1 1313 . 1 1 101 101 ALA CB C 13 22.17 0.2 . 1 . . . . . . . . 4825 1 1314 . 1 1 101 101 ALA N N 15 117.57 0.1 . 1 . . . . . . . . 4825 1 1315 . 1 1 102 102 VAL H H 1 7.80 0.02 . 1 . . . . . . . . 4825 1 1316 . 1 1 102 102 VAL HA H 1 4.82 0.02 . 1 . . . . . . . . 4825 1 1317 . 1 1 102 102 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4825 1 1318 . 1 1 102 102 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 1319 . 1 1 102 102 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 1320 . 1 1 102 102 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 4825 1 1321 . 1 1 102 102 VAL HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4825 1 1322 . 1 1 102 102 VAL HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4825 1 1323 . 1 1 102 102 VAL HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4825 1 1324 . 1 1 102 102 VAL C C 13 177.46 0.2 . 1 . . . . . . . . 4825 1 1325 . 1 1 102 102 VAL CA C 13 59.71 0.2 . 1 . . . . . . . . 4825 1 1326 . 1 1 102 102 VAL CB C 13 34.02 0.2 . 1 . . . . . . . . 4825 1 1327 . 1 1 102 102 VAL CG1 C 13 18.60 0.2 . 1 . . . . . . . . 4825 1 1328 . 1 1 102 102 VAL CG2 C 13 22.50 0.2 . 1 . . . . . . . . 4825 1 1329 . 1 1 102 102 VAL N N 15 110.87 0.1 . 1 . . . . . . . . 4825 1 1330 . 1 1 103 103 GLU H H 1 7.86 0.02 . 1 . . . . . . . . 4825 1 1331 . 1 1 103 103 GLU HA H 1 3.74 0.02 . 1 . . . . . . . . 4825 1 1332 . 1 1 103 103 GLU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4825 1 1333 . 1 1 103 103 GLU HB3 H 1 2.45 0.02 . 2 . . . . . . . . 4825 1 1334 . 1 1 103 103 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 4825 1 1335 . 1 1 103 103 GLU HG3 H 1 2.47 0.02 . 2 . . . . . . . . 4825 1 1336 . 1 1 103 103 GLU C C 13 176.06 0.2 . 1 . . . . . . . . 4825 1 1337 . 1 1 103 103 GLU CA C 13 61.35 0.2 . 1 . . . . . . . . 4825 1 1338 . 1 1 103 103 GLU CB C 13 29.87 0.2 . 1 . . . . . . . . 4825 1 1339 . 1 1 103 103 GLU CG C 13 36.35 0.2 . 1 . . . . . . . . 4825 1 1340 . 1 1 103 103 GLU N N 15 118.91 0.1 . 1 . . . . . . . . 4825 1 1341 . 1 1 104 104 GLU H H 1 8.50 0.02 . 1 . . . . . . . . 4825 1 1342 . 1 1 104 104 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 4825 1 1343 . 1 1 104 104 GLU HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4825 1 1344 . 1 1 104 104 GLU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 4825 1 1345 . 1 1 104 104 GLU HG2 H 1 2.11 0.02 . 1 . . . . . . . . 4825 1 1346 . 1 1 104 104 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 4825 1 1347 . 1 1 104 104 GLU C C 13 175.18 0.2 . 1 . . . . . . . . 4825 1 1348 . 1 1 104 104 GLU CA C 13 54.94 0.2 . 1 . . . . . . . . 4825 1 1349 . 1 1 104 104 GLU CB C 13 32.12 0.2 . 1 . . . . . . . . 4825 1 1350 . 1 1 104 104 GLU CG C 13 33.56 0.2 . 1 . . . . . . . . 4825 1 1351 . 1 1 104 104 GLU N N 15 117.67 0.1 . 1 . . . . . . . . 4825 1 1352 . 1 1 105 105 CYS H H 1 8.52 0.02 . 1 . . . . . . . . 4825 1 1353 . 1 1 105 105 CYS HA H 1 5.13 0.02 . 1 . . . . . . . . 4825 1 1354 . 1 1 105 105 CYS HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4825 1 1355 . 1 1 105 105 CYS HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4825 1 1356 . 1 1 105 105 CYS C C 13 172.53 0.2 . 1 . . . . . . . . 4825 1 1357 . 1 1 105 105 CYS CA C 13 50.24 0.2 . 1 . . . . . . . . 4825 1 1358 . 1 1 105 105 CYS CB C 13 38.66 0.2 . 1 . . . . . . . . 4825 1 1359 . 1 1 105 105 CYS N N 15 118.60 0.1 . 1 . . . . . . . . 4825 1 1360 . 1 1 106 106 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4825 1 1361 . 1 1 106 106 PRO HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4825 1 1362 . 1 1 106 106 PRO HB3 H 1 2.29 0.02 . 2 . . . . . . . . 4825 1 1363 . 1 1 106 106 PRO HG2 H 1 1.89 0.02 . 2 . . . . . . . . 4825 1 1364 . 1 1 106 106 PRO HG3 H 1 1.98 0.02 . 2 . . . . . . . . 4825 1 1365 . 1 1 106 106 PRO HD2 H 1 3.64 0.02 . 2 . . . . . . . . 4825 1 1366 . 1 1 106 106 PRO HD3 H 1 3.80 0.02 . 2 . . . . . . . . 4825 1 1367 . 1 1 106 106 PRO CA C 13 63.10 0.2 . 1 . . . . . . . . 4825 1 1368 . 1 1 106 106 PRO CB C 13 31.64 0.2 . 1 . . . . . . . . 4825 1 1369 . 1 1 106 106 PRO CG C 13 27.08 0.2 . 1 . . . . . . . . 4825 1 1370 . 1 1 106 106 PRO CD C 13 50.36 0.2 . 1 . . . . . . . . 4825 1 stop_ save_