data_4084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4084 _Entry.Title ; Determination of the Secondary Structure and Folding Topology of an RNA Binding Domain of Mammalian hnRNP A1 Protein Using Three-Dimensional Heteronuclear Magnetic Resonance Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-12-23 _Entry.Accession_date 1997-12-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Daniel Garrett . S. . 4084 2 Patricia Lodi . J. . 4084 3 Yousif Shamoo . . . 4084 4 Kenneth Williams . R. . 4084 5 G. Clore . Marius . 4084 6 Angela Gronenborn . M. . 4084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 4084 '15N chemical shifts' 92 4084 '1H chemical shifts' 577 4084 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 . . 2001-02-17 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4084 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4084 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Garrett, D. S., Lodi, P. J., Shamoo, Y., Williams, K. R., Clore, G. M., and Gronenborn, A. M., "Determination of the Secondary Structure and Folding Topology of an RNA Binding Domain of Mammalian nhRNP A1 Protein Using Three-Dimensional Heteronuclear Magnetic Resonance Spectroscopy," Biochemistry 33, 2852-2858, (1994). ; _Citation.Title ; Determination of the Secondary Structure and Folding Topology of an RNA Binding Domain of Mammalian nhRNP A1 Protein Using Three-Dimensional Heteronuclear Magnetic Resonance Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 10 _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 2852 _Citation.Page_last 2858 _Citation.Year 1994 _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 Daniel Garrett . S. . 4084 1 2 Patricia Lodi . J. . 4084 1 3 Yousif Shamoo . . . 4084 1 4 Kenneth Williams . R. . 4084 1 5 G. Clore . Marius . 4084 1 6 Angela Gronenborn . M. . 4084 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'heterogenous nuclear ribonucleoprotein' 4084 1 hnRNP 4084 1 NMR 4084 1 'nuclear magnetic resonance' 4084 1 'small nuclear ribonucleoprotein' 4084 1 snRNP 4084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hnRNP(A1) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hnRNP(A1) _Assembly.Entry_ID 4084 _Assembly.ID 1 _Assembly.Name hnRNP(A1) _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 free' _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 4084 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 hnRNP(A1) 1 $hnRNP(A1) . . . native . . . . . 4084 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID hnRNP(A1) abbreviation 4084 1 hnRNP(A1) system 4084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hnRNP(A1) _Entity.Sf_category entity _Entity.Sf_framecode hnRNP(A1) _Entity.Entry_ID 4084 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human hnRNP A1' _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 ; MSKSESPKEPEQLRKLFIGG LSFETTDESLRSHFEQWGTL TDCVVMRDPNTKRSRGFGFV TYATVEEVDAAMNARPHKVD GRVVEPKRAVSRE ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAG60447 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 208 100.00 100.00 1.02e-60 . . . . 4084 1 2 no DBJ BAG64377 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 254 100.00 100.00 1.48e-61 . . . . 4084 1 3 no GB AAP78702 . "hnRNP core protein A1, partial [Equus caballus]" . . . . . 65.59 61 100.00 100.00 4.93e-36 . . . . 4084 1 4 no GB ELK35268 . "Heterogeneous nuclear ribonucleoprotein A1 [Myotis davidii]" . . . . . 94.62 168 100.00 100.00 1.37e-56 . . . . 4084 1 5 no REF XP_004274506 . "PREDICTED: LOW QUALITY PROTEIN: heterogeneous nuclear ribonucleoprotein A1 [Orcinus orca]" . . . . . 79.57 235 100.00 100.00 6.75e-47 . . . . 4084 1 6 no REF XP_007659907 . "PREDICTED: heterogeneous nuclear ribonucleoprotein A1, partial [Ornithorhynchus anatinus]" . . . . . 100.00 132 100.00 100.00 9.91e-61 . . . . 4084 1 7 no REF XP_012323839 . "PREDICTED: polyadenylate-binding protein 4-like [Aotus nancymaae]" . . . . . 100.00 386 98.92 98.92 1.28e-56 . . . . 4084 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hnRNP A1' abbreviation 4084 1 'human hnRNP A1' common 4084 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 0 MET . 4084 1 2 1 SER . 4084 1 3 2 LYS . 4084 1 4 3 SER . 4084 1 5 4 GLU . 4084 1 6 5 SER . 4084 1 7 6 PRO . 4084 1 8 7 LYS . 4084 1 9 8 GLU . 4084 1 10 9 PRO . 4084 1 11 10 GLU . 4084 1 12 11 GLN . 4084 1 13 12 LEU . 4084 1 14 13 ARG . 4084 1 15 14 LYS . 4084 1 16 15 LEU . 4084 1 17 16 PHE . 4084 1 18 17 ILE . 4084 1 19 18 GLY . 4084 1 20 19 GLY . 4084 1 21 20 LEU . 4084 1 22 21 SER . 4084 1 23 22 PHE . 4084 1 24 23 GLU . 4084 1 25 24 THR . 4084 1 26 25 THR . 4084 1 27 26 ASP . 4084 1 28 27 GLU . 4084 1 29 28 SER . 4084 1 30 29 LEU . 4084 1 31 30 ARG . 4084 1 32 31 SER . 4084 1 33 32 HIS . 4084 1 34 33 PHE . 4084 1 35 34 GLU . 4084 1 36 35 GLN . 4084 1 37 36 TRP . 4084 1 38 37 GLY . 4084 1 39 38 THR . 4084 1 40 39 LEU . 4084 1 41 40 THR . 4084 1 42 41 ASP . 4084 1 43 42 CYS . 4084 1 44 43 VAL . 4084 1 45 44 VAL . 4084 1 46 45 MET . 4084 1 47 46 ARG . 4084 1 48 47 ASP . 4084 1 49 48 PRO . 4084 1 50 49 ASN . 4084 1 51 50 THR . 4084 1 52 51 LYS . 4084 1 53 52 ARG . 4084 1 54 53 SER . 4084 1 55 54 ARG . 4084 1 56 55 GLY . 4084 1 57 56 PHE . 4084 1 58 57 GLY . 4084 1 59 58 PHE . 4084 1 60 59 VAL . 4084 1 61 60 THR . 4084 1 62 61 TYR . 4084 1 63 62 ALA . 4084 1 64 63 THR . 4084 1 65 64 VAL . 4084 1 66 65 GLU . 4084 1 67 66 GLU . 4084 1 68 67 VAL . 4084 1 69 70 ASP . 4084 1 70 69 ALA . 4084 1 71 70 ALA . 4084 1 72 71 MET . 4084 1 73 72 ASN . 4084 1 74 73 ALA . 4084 1 75 74 ARG . 4084 1 76 75 PRO . 4084 1 77 76 HIS . 4084 1 78 77 LYS . 4084 1 79 78 VAL . 4084 1 80 79 ASP . 4084 1 81 80 GLY . 4084 1 82 81 ARG . 4084 1 83 82 VAL . 4084 1 84 83 VAL . 4084 1 85 84 GLU . 4084 1 86 85 PRO . 4084 1 87 86 LYS . 4084 1 88 87 ARG . 4084 1 89 88 ALA . 4084 1 90 89 VAL . 4084 1 91 90 SER . 4084 1 92 91 ARG . 4084 1 93 92 GLU . 4084 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 4084 1 . SER 2 2 4084 1 . LYS 3 3 4084 1 . SER 4 4 4084 1 . GLU 5 5 4084 1 . SER 6 6 4084 1 . PRO 7 7 4084 1 . LYS 8 8 4084 1 . GLU 9 9 4084 1 . PRO 10 10 4084 1 . GLU 11 11 4084 1 . GLN 12 12 4084 1 . LEU 13 13 4084 1 . ARG 14 14 4084 1 . LYS 15 15 4084 1 . LEU 16 16 4084 1 . PHE 17 17 4084 1 . ILE 18 18 4084 1 . GLY 19 19 4084 1 . GLY 20 20 4084 1 . LEU 21 21 4084 1 . SER 22 22 4084 1 . PHE 23 23 4084 1 . GLU 24 24 4084 1 . THR 25 25 4084 1 . THR 26 26 4084 1 . ASP 27 27 4084 1 . GLU 28 28 4084 1 . SER 29 29 4084 1 . LEU 30 30 4084 1 . ARG 31 31 4084 1 . SER 32 32 4084 1 . HIS 33 33 4084 1 . PHE 34 34 4084 1 . GLU 35 35 4084 1 . GLN 36 36 4084 1 . TRP 37 37 4084 1 . GLY 38 38 4084 1 . THR 39 39 4084 1 . LEU 40 40 4084 1 . THR 41 41 4084 1 . ASP 42 42 4084 1 . CYS 43 43 4084 1 . VAL 44 44 4084 1 . VAL 45 45 4084 1 . MET 46 46 4084 1 . ARG 47 47 4084 1 . ASP 48 48 4084 1 . PRO 49 49 4084 1 . ASN 50 50 4084 1 . THR 51 51 4084 1 . LYS 52 52 4084 1 . ARG 53 53 4084 1 . SER 54 54 4084 1 . ARG 55 55 4084 1 . GLY 56 56 4084 1 . PHE 57 57 4084 1 . GLY 58 58 4084 1 . PHE 59 59 4084 1 . VAL 60 60 4084 1 . THR 61 61 4084 1 . TYR 62 62 4084 1 . ALA 63 63 4084 1 . THR 64 64 4084 1 . VAL 65 65 4084 1 . GLU 66 66 4084 1 . GLU 67 67 4084 1 . VAL 68 68 4084 1 . ASP 69 69 4084 1 . ALA 70 70 4084 1 . ALA 71 71 4084 1 . MET 72 72 4084 1 . ASN 73 73 4084 1 . ALA 74 74 4084 1 . ARG 75 75 4084 1 . PRO 76 76 4084 1 . HIS 77 77 4084 1 . LYS 78 78 4084 1 . VAL 79 79 4084 1 . ASP 80 80 4084 1 . GLY 81 81 4084 1 . ARG 82 82 4084 1 . VAL 83 83 4084 1 . VAL 84 84 4084 1 . GLU 85 85 4084 1 . PRO 86 86 4084 1 . LYS 87 87 4084 1 . ARG 88 88 4084 1 . ALA 89 89 4084 1 . VAL 90 90 4084 1 . SER 91 91 4084 1 . ARG 92 92 4084 1 . GLU 93 93 4084 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 4084 _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 $hnRNP(A1) . 9606 . . 'homo sapiens' human . . Eukaryota Metazoa homo sapiens . . . . . . . . . . . . . . . . . . . . . 4084 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 4084 _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 $hnRNP(A1) . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pYS45 . . . . . . 4084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4084 _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 'human hnRNP A1' [U-15N] . . 1 $hnRNP(A1) . . 2 . . mM . . . . 4084 1 2 D2O . . . . . . . 10 . . % . . . . 4084 1 3 H2O . . . . . . . 90 . . % . . . . 4084 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4084 _Sample.ID 2 _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 'human hnRNP A1' '[U-13C; U-15N]' . . 1 $hnRNP(A1) . . 2 . . mM . . . . 4084 2 2 D2O . . . . . . . 10 . . % . . . . 4084 2 3 H2O . . . . . . . 90 . . % . . . . 4084 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4084 _Sample.ID 3 _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 'human hnRNP A1' [U-15N] . . 1 $hnRNP(A1) . . 2 . . mM . . . . 4084 3 2 D2O . . . . . . . 99.996 . . % . . . . 4084 3 stop_ save_ save_sample_four _Sample.Sf_category sample _Sample.Sf_framecode sample_four _Sample.Entry_ID 4084 _Sample.ID 4 _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 'human hnRNP A1' '[U-13C; U-15N]' . . 1 $hnRNP(A1) . . 2 . . mM . . . . 4084 4 2 D2O . . . . . . . 99.996 . . % . . . . 4084 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4084 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Conditions used for all four samples are the same' 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 5.7 . n/a 4084 1 temperature 298 . K 4084 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4084 _Entity_purity_list.ID 1 _Entity_purity_list.Details ; Mass Spectrometry of the 15N/13C-labeled protein versus the unlabeled protein suggested that the incorporation was between 96 and 98 % with a theoretical limit of 98.8% based on the reported atom percent from the [15N]NH4Cl and [13C6]D-Glucose manufacturers. ; loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 . . 1 $hnRNP(A1) 97 % 'Mass Spectrometry' . 4084 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _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 4084 _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_one Bruker AM . 600 . . . 4084 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 4084 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4084 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.00 . . . . . . . . . . . . 4084 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . . . . . . . . . . 4084 1 N 15 'liquid ammonia' nitrogen . . . . ppm 0.00 external . . . . . . . . . . . 4084 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_chemical_shift_assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment _Assigned_chem_shift_list.Entry_ID 4084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 . . 2 $sample_two . 4084 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.14 . . 1 . . . . . . . . 4084 1 2 . 1 1 1 1 MET HB2 H 1 2.04 . . 2 . . . . . . . . 4084 1 3 . 1 1 1 1 MET HB3 H 1 1.87 . . 2 . . . . . . . . 4084 1 4 . 1 1 1 1 MET HG2 H 1 2.19 . . 1 . . . . . . . . 4084 1 5 . 1 1 1 1 MET HG3 H 1 2.19 . . 1 . . . . . . . . 4084 1 6 . 1 1 1 1 MET CA C 13 58.1 . . 1 . . . . . . . . 4084 1 7 . 1 1 1 1 MET CB C 13 31.2 . . 1 . . . . . . . . 4084 1 8 . 1 1 1 1 MET CG C 13 36.5 . . 1 . . . . . . . . 4084 1 9 . 1 1 2 2 SER H H 1 8.38 . . 1 . . . . . . . . 4084 1 10 . 1 1 2 2 SER HA H 1 4.53 . . 1 . . . . . . . . 4084 1 11 . 1 1 2 2 SER HB2 H 1 3.92 . . 1 . . . . . . . . 4084 1 12 . 1 1 2 2 SER HB3 H 1 3.92 . . 1 . . . . . . . . 4084 1 13 . 1 1 2 2 SER CA C 13 58.2 . . 1 . . . . . . . . 4084 1 14 . 1 1 2 2 SER CB C 13 64.0 . . 1 . . . . . . . . 4084 1 15 . 1 1 2 2 SER N N 15 119.5 . . 1 . . . . . . . . 4084 1 16 . 1 1 3 3 LYS H H 1 8.36 . . 1 . . . . . . . . 4084 1 17 . 1 1 3 3 LYS HA H 1 4.41 . . 1 . . . . . . . . 4084 1 18 . 1 1 3 3 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4084 1 19 . 1 1 3 3 LYS HB3 H 1 1.80 . . 2 . . . . . . . . 4084 1 20 . 1 1 3 3 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 4084 1 21 . 1 1 3 3 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 4084 1 22 . 1 1 3 3 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 4084 1 23 . 1 1 3 3 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 4084 1 24 . 1 1 3 3 LYS HE2 H 1 3.0 . . 1 . . . . . . . . 4084 1 25 . 1 1 3 3 LYS HE3 H 1 3.0 . . 1 . . . . . . . . 4084 1 26 . 1 1 3 3 LYS CA C 13 56.4 . . 1 . . . . . . . . 4084 1 27 . 1 1 3 3 LYS CB C 13 33.3 . . 1 . . . . . . . . 4084 1 28 . 1 1 3 3 LYS CG C 13 24.8 . . 1 . . . . . . . . 4084 1 29 . 1 1 3 3 LYS CD C 13 29.0 . . 1 . . . . . . . . 4084 1 30 . 1 1 3 3 LYS CE C 13 41.9 . . 1 . . . . . . . . 4084 1 31 . 1 1 3 3 LYS N N 15 121.7 . . 1 . . . . . . . . 4084 1 32 . 1 1 4 4 SER H H 1 8.46 . . 1 . . . . . . . . 4084 1 33 . 1 1 4 4 SER HA H 1 4.46 . . 1 . . . . . . . . 4084 1 34 . 1 1 4 4 SER HB2 H 1 3.85 . . 1 . . . . . . . . 4084 1 35 . 1 1 4 4 SER HB3 H 1 3.85 . . 1 . . . . . . . . 4084 1 36 . 1 1 4 4 SER CA C 13 58.4 . . 1 . . . . . . . . 4084 1 37 . 1 1 4 4 SER CB C 13 63.8 . . 1 . . . . . . . . 4084 1 38 . 1 1 4 4 SER N N 15 117.4 . . 1 . . . . . . . . 4084 1 39 . 1 1 5 5 GLU H H 1 8.42 . . 1 . . . . . . . . 4084 1 40 . 1 1 5 5 GLU HA H 1 4.39 . . 1 . . . . . . . . 4084 1 41 . 1 1 5 5 GLU HB2 H 1 2.06 . . 2 . . . . . . . . 4084 1 42 . 1 1 5 5 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 4084 1 43 . 1 1 5 5 GLU HG2 H 1 2.26 . . 1 . . . . . . . . 4084 1 44 . 1 1 5 5 GLU HG3 H 1 2.26 . . 1 . . . . . . . . 4084 1 45 . 1 1 5 5 GLU CA C 13 56.2 . . 1 . . . . . . . . 4084 1 46 . 1 1 5 5 GLU CB C 13 30.7 . . 1 . . . . . . . . 4084 1 47 . 1 1 5 5 GLU CG C 13 35.9 . . 1 . . . . . . . . 4084 1 48 . 1 1 5 5 GLU N N 15 122.7 . . 1 . . . . . . . . 4084 1 49 . 1 1 6 6 SER H H 1 8.42 . . 1 . . . . . . . . 4084 1 50 . 1 1 6 6 SER HA H 1 4.75 . . 1 . . . . . . . . 4084 1 51 . 1 1 6 6 SER HB2 H 1 3.90 . . 2 . . . . . . . . 4084 1 52 . 1 1 6 6 SER HB3 H 1 3.81 . . 2 . . . . . . . . 4084 1 53 . 1 1 6 6 SER CA C 13 56.6 . . 1 . . . . . . . . 4084 1 54 . 1 1 6 6 SER CB C 13 63.2 . . 1 . . . . . . . . 4084 1 55 . 1 1 6 6 SER N N 15 118.5 . . 1 . . . . . . . . 4084 1 56 . 1 1 7 7 PRO HA H 1 4.46 . . 1 . . . . . . . . 4084 1 57 . 1 1 7 7 PRO HB2 H 1 2.36 . . 2 . . . . . . . . 4084 1 58 . 1 1 7 7 PRO HB3 H 1 1.91 . . 2 . . . . . . . . 4084 1 59 . 1 1 7 7 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 4084 1 60 . 1 1 7 7 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 4084 1 61 . 1 1 7 7 PRO HD2 H 1 3.87 . . 2 . . . . . . . . 4084 1 62 . 1 1 7 7 PRO HD3 H 1 3.72 . . 2 . . . . . . . . 4084 1 63 . 1 1 7 7 PRO CA C 13 63.3 . . 1 . . . . . . . . 4084 1 64 . 1 1 7 7 PRO CB C 13 32.2 . . 1 . . . . . . . . 4084 1 65 . 1 1 7 7 PRO CG C 13 27.6 . . 1 . . . . . . . . 4084 1 66 . 1 1 7 7 PRO CD C 13 50.8 . . 1 . . . . . . . . 4084 1 67 . 1 1 8 8 LYS H H 1 8.49 . . 1 . . . . . . . . 4084 1 68 . 1 1 8 8 LYS HA H 1 4.31 . . 1 . . . . . . . . 4084 1 69 . 1 1 8 8 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4084 1 70 . 1 1 8 8 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 4084 1 71 . 1 1 8 8 LYS HG2 H 1 1.53 . . 1 . . . . . . . . 4084 1 72 . 1 1 8 8 LYS HG3 H 1 1.53 . . 1 . . . . . . . . 4084 1 73 . 1 1 8 8 LYS HD2 H 1 1.71 . . 1 . . . . . . . . 4084 1 74 . 1 1 8 8 LYS HD3 H 1 1.71 . . 1 . . . . . . . . 4084 1 75 . 1 1 8 8 LYS HE2 H 1 3.11 . . 1 . . . . . . . . 4084 1 76 . 1 1 8 8 LYS HE3 H 1 3.11 . . 1 . . . . . . . . 4084 1 77 . 1 1 8 8 LYS CA C 13 56.4 . . 1 . . . . . . . . 4084 1 78 . 1 1 8 8 LYS CB C 13 33.4 . . 1 . . . . . . . . 4084 1 79 . 1 1 8 8 LYS CG C 13 25.0 . . 1 . . . . . . . . 4084 1 80 . 1 1 8 8 LYS CD C 13 29.0 . . 1 . . . . . . . . 4084 1 81 . 1 1 8 8 LYS CE C 13 43.3 . . 1 . . . . . . . . 4084 1 82 . 1 1 8 8 LYS N N 15 121.5 . . 1 . . . . . . . . 4084 1 83 . 1 1 9 9 GLU H H 1 8.36 . . 1 . . . . . . . . 4084 1 84 . 1 1 9 9 GLU HA H 1 4.67 . . 1 . . . . . . . . 4084 1 85 . 1 1 9 9 GLU HB2 H 1 1.96 . . 1 . . . . . . . . 4084 1 86 . 1 1 9 9 GLU HB3 H 1 1.96 . . 1 . . . . . . . . 4084 1 87 . 1 1 9 9 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4084 1 88 . 1 1 9 9 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 4084 1 89 . 1 1 9 9 GLU CA C 13 54.5 . . 1 . . . . . . . . 4084 1 90 . 1 1 9 9 GLU CB C 13 29.6 . . 1 . . . . . . . . 4084 1 91 . 1 1 9 9 GLU CG C 13 35.9 . . 1 . . . . . . . . 4084 1 92 . 1 1 9 9 GLU N N 15 121.1 . . 1 . . . . . . . . 4084 1 93 . 1 1 10 10 PRO HA H 1 4.36 . . 1 . . . . . . . . 4084 1 94 . 1 1 10 10 PRO HB2 H 1 2.42 . . 2 . . . . . . . . 4084 1 95 . 1 1 10 10 PRO HB3 H 1 1.91 . . 2 . . . . . . . . 4084 1 96 . 1 1 10 10 PRO HG2 H 1 2.10 . . 1 . . . . . . . . 4084 1 97 . 1 1 10 10 PRO HG3 H 1 2.10 . . 1 . . . . . . . . 4084 1 98 . 1 1 10 10 PRO HD2 H 1 3.91 . . 2 . . . . . . . . 4084 1 99 . 1 1 10 10 PRO HD3 H 1 3.68 . . 2 . . . . . . . . 4084 1 100 . 1 1 10 10 PRO CA C 13 63.7 . . 1 . . . . . . . . 4084 1 101 . 1 1 10 10 PRO CB C 13 32.4 . . 1 . . . . . . . . 4084 1 102 . 1 1 10 10 PRO CG C 13 27.7 . . 1 . . . . . . . . 4084 1 103 . 1 1 10 10 PRO CD C 13 50.8 . . 1 . . . . . . . . 4084 1 104 . 1 1 11 11 GLU H H 1 8.74 . . 1 . . . . . . . . 4084 1 105 . 1 1 11 11 GLU HA H 1 3.74 . . 1 . . . . . . . . 4084 1 106 . 1 1 11 11 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4084 1 107 . 1 1 11 11 GLU HB3 H 1 1.96 . . 2 . . . . . . . . 4084 1 108 . 1 1 11 11 GLU HG2 H 1 2.19 . . 1 . . . . . . . . 4084 1 109 . 1 1 11 11 GLU HG3 H 1 2.19 . . 1 . . . . . . . . 4084 1 110 . 1 1 11 11 GLU CA C 13 59.6 . . 1 . . . . . . . . 4084 1 111 . 1 1 11 11 GLU CB C 13 29.9 . . 1 . . . . . . . . 4084 1 112 . 1 1 11 11 GLU CG C 13 36.6 . . 1 . . . . . . . . 4084 1 113 . 1 1 11 11 GLU N N 15 122.5 . . 1 . . . . . . . . 4084 1 114 . 1 1 12 12 GLN H H 1 8.65 . . 1 . . . . . . . . 4084 1 115 . 1 1 12 12 GLN HA H 1 4.03 . . 1 . . . . . . . . 4084 1 116 . 1 1 12 12 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 4084 1 117 . 1 1 12 12 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 4084 1 118 . 1 1 12 12 GLN HG2 H 1 2.43 . . 2 . . . . . . . . 4084 1 119 . 1 1 12 12 GLN HG3 H 1 2.36 . . 2 . . . . . . . . 4084 1 120 . 1 1 12 12 GLN HE21 H 1 7.50 . . 2 . . . . . . . . 4084 1 121 . 1 1 12 12 GLN HE22 H 1 6.87 . . 2 . . . . . . . . 4084 1 122 . 1 1 12 12 GLN CA C 13 58.4 . . 1 . . . . . . . . 4084 1 123 . 1 1 12 12 GLN CB C 13 28.2 . . 1 . . . . . . . . 4084 1 124 . 1 1 12 12 GLN CG C 13 33.6 . . 1 . . . . . . . . 4084 1 125 . 1 1 12 12 GLN N N 15 116.0 . . 1 . . . . . . . . 4084 1 126 . 1 1 12 12 GLN NE2 N 15 110.9 . . 1 . . . . . . . . 4084 1 127 . 1 1 13 13 LEU H H 1 7.52 . . 1 . . . . . . . . 4084 1 128 . 1 1 13 13 LEU HA H 1 4.31 . . 1 . . . . . . . . 4084 1 129 . 1 1 13 13 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 4084 1 130 . 1 1 13 13 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 4084 1 131 . 1 1 13 13 LEU HG H 1 1.68 . . 1 . . . . . . . . 4084 1 132 . 1 1 13 13 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4084 1 133 . 1 1 13 13 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4084 1 134 . 1 1 13 13 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4084 1 135 . 1 1 13 13 LEU HD21 H 1 0.91 . . 2 . . . . . . . . 4084 1 136 . 1 1 13 13 LEU HD22 H 1 0.91 . . 2 . . . . . . . . 4084 1 137 . 1 1 13 13 LEU HD23 H 1 0.91 . . 2 . . . . . . . . 4084 1 138 . 1 1 13 13 LEU CA C 13 56.0 . . 1 . . . . . . . . 4084 1 139 . 1 1 13 13 LEU CB C 13 42.4 . . 1 . . . . . . . . 4084 1 140 . 1 1 13 13 LEU CG C 13 27.5 . . 1 . . . . . . . . 4084 1 141 . 1 1 13 13 LEU CD1 C 13 25.3 . . 1 . . . . . . . . 4084 1 142 . 1 1 13 13 LEU CD2 C 13 22.9 . . 1 . . . . . . . . 4084 1 143 . 1 1 13 13 LEU N N 15 116.4 . . 1 . . . . . . . . 4084 1 144 . 1 1 14 14 ARG H H 1 7.64 . . 1 . . . . . . . . 4084 1 145 . 1 1 14 14 ARG HA H 1 4.46 . . 1 . . . . . . . . 4084 1 146 . 1 1 14 14 ARG HB2 H 1 2.62 . . 1 . . . . . . . . 4084 1 147 . 1 1 14 14 ARG HB3 H 1 2.62 . . 1 . . . . . . . . 4084 1 148 . 1 1 14 14 ARG CA C 13 56.2 . . 1 . . . . . . . . 4084 1 149 . 1 1 14 14 ARG CB C 13 31.0 . . 1 . . . . . . . . 4084 1 150 . 1 1 14 14 ARG N N 15 116.8 . . 1 . . . . . . . . 4084 1 151 . 1 1 15 15 LYS H H 1 7.00 . . 1 . . . . . . . . 4084 1 152 . 1 1 15 15 LYS HA H 1 5.23 . . 1 . . . . . . . . 4084 1 153 . 1 1 15 15 LYS HB2 H 1 1.69 . . 1 . . . . . . . . 4084 1 154 . 1 1 15 15 LYS HB3 H 1 1.69 . . 1 . . . . . . . . 4084 1 155 . 1 1 15 15 LYS HG2 H 1 1.49 . . 2 . . . . . . . . 4084 1 156 . 1 1 15 15 LYS HG3 H 1 1.15 . . 2 . . . . . . . . 4084 1 157 . 1 1 15 15 LYS HD2 H 1 1.31 . . 1 . . . . . . . . 4084 1 158 . 1 1 15 15 LYS HD3 H 1 1.31 . . 1 . . . . . . . . 4084 1 159 . 1 1 15 15 LYS HE2 H 1 2.40 . . 1 . . . . . . . . 4084 1 160 . 1 1 15 15 LYS HE3 H 1 2.40 . . 1 . . . . . . . . 4084 1 161 . 1 1 15 15 LYS CA C 13 55.4 . . 1 . . . . . . . . 4084 1 162 . 1 1 15 15 LYS CB C 13 35.9 . . 1 . . . . . . . . 4084 1 163 . 1 1 15 15 LYS CG C 13 24.7 . . 1 . . . . . . . . 4084 1 164 . 1 1 15 15 LYS CD C 13 29.5 . . 1 . . . . . . . . 4084 1 165 . 1 1 15 15 LYS CE C 13 41.2 . . 1 . . . . . . . . 4084 1 166 . 1 1 15 15 LYS N N 15 119.7 . . 1 . . . . . . . . 4084 1 167 . 1 1 16 16 LEU H H 1 9.65 . . 1 . . . . . . . . 4084 1 168 . 1 1 16 16 LEU HA H 1 5.06 . . 1 . . . . . . . . 4084 1 169 . 1 1 16 16 LEU HB2 H 1 1.56 . . 2 . . . . . . . . 4084 1 170 . 1 1 16 16 LEU HB3 H 1 1.11 . . 2 . . . . . . . . 4084 1 171 . 1 1 16 16 LEU HG H 1 1.62 . . 1 . . . . . . . . 4084 1 172 . 1 1 16 16 LEU HD11 H 1 0.77 . . 1 . . . . . . . . 4084 1 173 . 1 1 16 16 LEU HD12 H 1 0.77 . . 1 . . . . . . . . 4084 1 174 . 1 1 16 16 LEU HD13 H 1 0.77 . . 1 . . . . . . . . 4084 1 175 . 1 1 16 16 LEU HD21 H 1 0.82 . . 1 . . . . . . . . 4084 1 176 . 1 1 16 16 LEU HD22 H 1 0.82 . . 1 . . . . . . . . 4084 1 177 . 1 1 16 16 LEU HD23 H 1 0.82 . . 1 . . . . . . . . 4084 1 178 . 1 1 16 16 LEU CA C 13 53.2 . . 1 . . . . . . . . 4084 1 179 . 1 1 16 16 LEU CB C 13 45.0 . . 1 . . . . . . . . 4084 1 180 . 1 1 16 16 LEU CG C 13 26.6 . . 1 . . . . . . . . 4084 1 181 . 1 1 16 16 LEU CD1 C 13 25.2 . . 1 . . . . . . . . 4084 1 182 . 1 1 16 16 LEU CD2 C 13 24.6 . . 1 . . . . . . . . 4084 1 183 . 1 1 16 16 LEU N N 15 125.8 . . 1 . . . . . . . . 4084 1 184 . 1 1 17 17 PHE H H 1 9.06 . . 1 . . . . . . . . 4084 1 185 . 1 1 17 17 PHE HA H 1 4.62 . . 1 . . . . . . . . 4084 1 186 . 1 1 17 17 PHE HB2 H 1 3.04 . . 2 . . . . . . . . 4084 1 187 . 1 1 17 17 PHE HB3 H 1 2.95 . . 2 . . . . . . . . 4084 1 188 . 1 1 17 17 PHE CA C 13 57.3 . . 1 . . . . . . . . 4084 1 189 . 1 1 17 17 PHE CB C 13 40.7 . . 1 . . . . . . . . 4084 1 190 . 1 1 17 17 PHE N N 15 123.3 . . 1 . . . . . . . . 4084 1 191 . 1 1 18 18 ILE H H 1 8.52 . . 1 . . . . . . . . 4084 1 192 . 1 1 18 18 ILE HA H 1 4.06 . . 1 . . . . . . . . 4084 1 193 . 1 1 18 18 ILE HB H 1 1.55 . . 1 . . . . . . . . 4084 1 194 . 1 1 18 18 ILE HG12 H 1 1.00 . . 2 . . . . . . . . 4084 1 195 . 1 1 18 18 ILE HG13 H 1 0.85 . . 2 . . . . . . . . 4084 1 196 . 1 1 18 18 ILE HG21 H 1 0.64 . . 1 . . . . . . . . 4084 1 197 . 1 1 18 18 ILE HG22 H 1 0.64 . . 1 . . . . . . . . 4084 1 198 . 1 1 18 18 ILE HG23 H 1 0.64 . . 1 . . . . . . . . 4084 1 199 . 1 1 18 18 ILE HD11 H 1 0.17 . . 1 . . . . . . . . 4084 1 200 . 1 1 18 18 ILE HD12 H 1 0.17 . . 1 . . . . . . . . 4084 1 201 . 1 1 18 18 ILE HD13 H 1 0.17 . . 1 . . . . . . . . 4084 1 202 . 1 1 18 18 ILE CA C 13 59.3 . . 1 . . . . . . . . 4084 1 203 . 1 1 18 18 ILE CB C 13 37.0 . . 1 . . . . . . . . 4084 1 204 . 1 1 18 18 ILE CG1 C 13 26.6 . . 1 . . . . . . . . 4084 1 205 . 1 1 18 18 ILE CG2 C 13 19.7 . . 1 . . . . . . . . 4084 1 206 . 1 1 18 18 ILE CD1 C 13 12.6 . . 1 . . . . . . . . 4084 1 207 . 1 1 18 18 ILE N N 15 126.7 . . 1 . . . . . . . . 4084 1 208 . 1 1 19 19 GLY H H 1 8.00 . . 1 . . . . . . . . 4084 1 209 . 1 1 19 19 GLY HA2 H 1 4.48 . . 2 . . . . . . . . 4084 1 210 . 1 1 19 19 GLY HA3 H 1 3.79 . . 2 . . . . . . . . 4084 1 211 . 1 1 19 19 GLY CA C 13 43.6 . . 1 . . . . . . . . 4084 1 212 . 1 1 19 19 GLY N N 15 112.7 . . 1 . . . . . . . . 4084 1 213 . 1 1 20 20 GLY H H 1 8.58 . . 1 . . . . . . . . 4084 1 214 . 1 1 20 20 GLY HA2 H 1 3.97 . . 2 . . . . . . . . 4084 1 215 . 1 1 20 20 GLY HA3 H 1 3.80 . . 2 . . . . . . . . 4084 1 216 . 1 1 20 20 GLY CA C 13 46.6 . . 1 . . . . . . . . 4084 1 217 . 1 1 20 20 GLY N N 15 107.2 . . 1 . . . . . . . . 4084 1 218 . 1 1 21 21 LEU H H 1 7.53 . . 1 . . . . . . . . 4084 1 219 . 1 1 21 21 LEU HA H 1 4.06 . . 1 . . . . . . . . 4084 1 220 . 1 1 21 21 LEU HB2 H 1 1.29 . . 2 . . . . . . . . 4084 1 221 . 1 1 21 21 LEU HB3 H 1 0.96 . . 2 . . . . . . . . 4084 1 222 . 1 1 21 21 LEU HG H 1 1.34 . . 1 . . . . . . . . 4084 1 223 . 1 1 21 21 LEU HD11 H 1 0.51 . . 1 . . . . . . . . 4084 1 224 . 1 1 21 21 LEU HD12 H 1 0.51 . . 1 . . . . . . . . 4084 1 225 . 1 1 21 21 LEU HD13 H 1 0.51 . . 1 . . . . . . . . 4084 1 226 . 1 1 21 21 LEU HD21 H 1 0.67 . . 1 . . . . . . . . 4084 1 227 . 1 1 21 21 LEU HD22 H 1 0.67 . . 1 . . . . . . . . 4084 1 228 . 1 1 21 21 LEU HD23 H 1 0.67 . . 1 . . . . . . . . 4084 1 229 . 1 1 21 21 LEU CA C 13 54.2 . . 1 . . . . . . . . 4084 1 230 . 1 1 21 21 LEU CB C 13 42.9 . . 1 . . . . . . . . 4084 1 231 . 1 1 21 21 LEU CG C 13 27.0 . . 1 . . . . . . . . 4084 1 232 . 1 1 21 21 LEU CD1 C 13 26.6 . . 1 . . . . . . . . 4084 1 233 . 1 1 21 21 LEU CD2 C 13 23.9 . . 1 . . . . . . . . 4084 1 234 . 1 1 21 21 LEU N N 15 115.0 . . 1 . . . . . . . . 4084 1 235 . 1 1 22 22 SER H H 1 9.14 . . 1 . . . . . . . . 4084 1 236 . 1 1 22 22 SER HA H 1 4.16 . . 1 . . . . . . . . 4084 1 237 . 1 1 22 22 SER HB2 H 1 3.96 . . 1 . . . . . . . . 4084 1 238 . 1 1 22 22 SER HB3 H 1 3.96 . . 1 . . . . . . . . 4084 1 239 . 1 1 22 22 SER CA C 13 57.6 . . 1 . . . . . . . . 4084 1 240 . 1 1 22 22 SER CB C 13 63.1 . . 1 . . . . . . . . 4084 1 241 . 1 1 22 22 SER N N 15 114.4 . . 1 . . . . . . . . 4084 1 242 . 1 1 23 23 PHE H H 1 9.11 . . 1 . . . . . . . . 4084 1 243 . 1 1 23 23 PHE HA H 1 4.35 . . 1 . . . . . . . . 4084 1 244 . 1 1 23 23 PHE HB2 H 1 3.35 . . 2 . . . . . . . . 4084 1 245 . 1 1 23 23 PHE HB3 H 1 3.10 . . 2 . . . . . . . . 4084 1 246 . 1 1 23 23 PHE CA C 13 60.3 . . 1 . . . . . . . . 4084 1 247 . 1 1 23 23 PHE CB C 13 37.6 . . 1 . . . . . . . . 4084 1 248 . 1 1 23 23 PHE N N 15 128.0 . . 1 . . . . . . . . 4084 1 249 . 1 1 24 24 GLU H H 1 8.33 . . 1 . . . . . . . . 4084 1 250 . 1 1 24 24 GLU HA H 1 4.29 . . 1 . . . . . . . . 4084 1 251 . 1 1 24 24 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 4084 1 252 . 1 1 24 24 GLU HB3 H 1 1.84 . . 2 . . . . . . . . 4084 1 253 . 1 1 24 24 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4084 1 254 . 1 1 24 24 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4084 1 255 . 1 1 24 24 GLU CA C 13 56.7 . . 1 . . . . . . . . 4084 1 256 . 1 1 24 24 GLU CB C 13 30.0 . . 1 . . . . . . . . 4084 1 257 . 1 1 24 24 GLU CG C 13 36.6 . . 1 . . . . . . . . 4084 1 258 . 1 1 24 24 GLU N N 15 115.8 . . 1 . . . . . . . . 4084 1 259 . 1 1 25 25 THR H H 1 7.32 . . 1 . . . . . . . . 4084 1 260 . 1 1 25 25 THR HA H 1 4.15 . . 1 . . . . . . . . 4084 1 261 . 1 1 25 25 THR HB H 1 4.02 . . 1 . . . . . . . . 4084 1 262 . 1 1 25 25 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4084 1 263 . 1 1 25 25 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4084 1 264 . 1 1 25 25 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4084 1 265 . 1 1 25 25 THR CA C 13 64.9 . . 1 . . . . . . . . 4084 1 266 . 1 1 25 25 THR CB C 13 68.7 . . 1 . . . . . . . . 4084 1 267 . 1 1 25 25 THR CG2 C 13 23.7 . . 1 . . . . . . . . 4084 1 268 . 1 1 25 25 THR N N 15 118.5 . . 1 . . . . . . . . 4084 1 269 . 1 1 26 26 THR H H 1 8.46 . . 1 . . . . . . . . 4084 1 270 . 1 1 26 26 THR HA H 1 4.52 . . 1 . . . . . . . . 4084 1 271 . 1 1 26 26 THR HB H 1 4.78 . . 1 . . . . . . . . 4084 1 272 . 1 1 26 26 THR HG21 H 1 1.34 . . 1 . . . . . . . . 4084 1 273 . 1 1 26 26 THR HG22 H 1 1.34 . . 1 . . . . . . . . 4084 1 274 . 1 1 26 26 THR HG23 H 1 1.34 . . 1 . . . . . . . . 4084 1 275 . 1 1 26 26 THR CA C 13 59.3 . . 1 . . . . . . . . 4084 1 276 . 1 1 26 26 THR CB C 13 73.1 . . 1 . . . . . . . . 4084 1 277 . 1 1 26 26 THR CG2 C 13 21.7 . . 1 . . . . . . . . 4084 1 278 . 1 1 26 26 THR N N 15 119.1 . . 1 . . . . . . . . 4084 1 279 . 1 1 27 27 ASP H H 1 8.84 . . 1 . . . . . . . . 4084 1 280 . 1 1 27 27 ASP HA H 1 3.95 . . 1 . . . . . . . . 4084 1 281 . 1 1 27 27 ASP HB2 H 1 2.80 . . 2 . . . . . . . . 4084 1 282 . 1 1 27 27 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 4084 1 283 . 1 1 27 27 ASP CA C 13 58.2 . . 1 . . . . . . . . 4084 1 284 . 1 1 27 27 ASP CB C 13 40.0 . . 1 . . . . . . . . 4084 1 285 . 1 1 27 27 ASP N N 15 120.1 . . 1 . . . . . . . . 4084 1 286 . 1 1 28 28 GLU H H 1 8.47 . . 1 . . . . . . . . 4084 1 287 . 1 1 28 28 GLU HA H 1 4.02 . . 1 . . . . . . . . 4084 1 288 . 1 1 28 28 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 4084 1 289 . 1 1 28 28 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 4084 1 290 . 1 1 28 28 GLU CA C 13 60.3 . . 1 . . . . . . . . 4084 1 291 . 1 1 28 28 GLU CB C 13 29.2 . . 1 . . . . . . . . 4084 1 292 . 1 1 28 28 GLU N N 15 116.2 . . 1 . . . . . . . . 4084 1 293 . 1 1 29 29 SER H H 1 8.42 . . 1 . . . . . . . . 4084 1 294 . 1 1 29 29 SER HA H 1 4.34 . . 1 . . . . . . . . 4084 1 295 . 1 1 29 29 SER HB2 H 1 3.91 . . 1 . . . . . . . . 4084 1 296 . 1 1 29 29 SER HB3 H 1 3.91 . . 1 . . . . . . . . 4084 1 297 . 1 1 29 29 SER CA C 13 61.7 . . 1 . . . . . . . . 4084 1 298 . 1 1 29 29 SER CB C 13 62.2 . . 1 . . . . . . . . 4084 1 299 . 1 1 29 29 SER N N 15 120.2 . . 1 . . . . . . . . 4084 1 300 . 1 1 30 30 LEU H H 1 8.54 . . 1 . . . . . . . . 4084 1 301 . 1 1 30 30 LEU HA H 1 4.10 . . 1 . . . . . . . . 4084 1 302 . 1 1 30 30 LEU HB2 H 1 1.75 . . 2 . . . . . . . . 4084 1 303 . 1 1 30 30 LEU HB3 H 1 1.18 . . 2 . . . . . . . . 4084 1 304 . 1 1 30 30 LEU HG H 1 1.54 . . 1 . . . . . . . . 4084 1 305 . 1 1 30 30 LEU HD11 H 1 0.61 . . 1 . . . . . . . . 4084 1 306 . 1 1 30 30 LEU HD12 H 1 0.61 . . 1 . . . . . . . . 4084 1 307 . 1 1 30 30 LEU HD13 H 1 0.61 . . 1 . . . . . . . . 4084 1 308 . 1 1 30 30 LEU HD21 H 1 0.97 . . 1 . . . . . . . . 4084 1 309 . 1 1 30 30 LEU HD22 H 1 0.97 . . 1 . . . . . . . . 4084 1 310 . 1 1 30 30 LEU HD23 H 1 0.97 . . 1 . . . . . . . . 4084 1 311 . 1 1 30 30 LEU CA C 13 58.2 . . 1 . . . . . . . . 4084 1 312 . 1 1 30 30 LEU CB C 13 42.6 . . 1 . . . . . . . . 4084 1 313 . 1 1 30 30 LEU CG C 13 26.8 . . 1 . . . . . . . . 4084 1 314 . 1 1 30 30 LEU CD1 C 13 26.1 . . 1 . . . . . . . . 4084 1 315 . 1 1 30 30 LEU CD2 C 13 25.3 . . 1 . . . . . . . . 4084 1 316 . 1 1 30 30 LEU N N 15 126.5 . . 1 . . . . . . . . 4084 1 317 . 1 1 31 31 ARG H H 1 8.07 . . 1 . . . . . . . . 4084 1 318 . 1 1 31 31 ARG HA H 1 3.89 . . 1 . . . . . . . . 4084 1 319 . 1 1 31 31 ARG HB2 H 1 2.27 . . 2 . . . . . . . . 4084 1 320 . 1 1 31 31 ARG HB3 H 1 1.92 . . 2 . . . . . . . . 4084 1 321 . 1 1 31 31 ARG HG2 H 1 1.46 . . 1 . . . . . . . . 4084 1 322 . 1 1 31 31 ARG HG3 H 1 1.46 . . 1 . . . . . . . . 4084 1 323 . 1 1 31 31 ARG HD2 H 1 3.46 . . 2 . . . . . . . . 4084 1 324 . 1 1 31 31 ARG HD3 H 1 3.13 . . 2 . . . . . . . . 4084 1 325 . 1 1 31 31 ARG CA C 13 59.7 . . 1 . . . . . . . . 4084 1 326 . 1 1 31 31 ARG CB C 13 30.7 . . 1 . . . . . . . . 4084 1 327 . 1 1 31 31 ARG CG C 13 28.1 . . 1 . . . . . . . . 4084 1 328 . 1 1 31 31 ARG CD C 13 43.3 . . 1 . . . . . . . . 4084 1 329 . 1 1 31 31 ARG N N 15 121.2 . . 1 . . . . . . . . 4084 1 330 . 1 1 32 32 SER H H 1 8.36 . . 1 . . . . . . . . 4084 1 331 . 1 1 32 32 SER HA H 1 4.16 . . 1 . . . . . . . . 4084 1 332 . 1 1 32 32 SER HB2 H 1 4.01 . . 2 . . . . . . . . 4084 1 333 . 1 1 32 32 SER HB3 H 1 3.97 . . 2 . . . . . . . . 4084 1 334 . 1 1 32 32 SER CA C 13 61.3 . . 1 . . . . . . . . 4084 1 335 . 1 1 32 32 SER CB C 13 62.9 . . 1 . . . . . . . . 4084 1 336 . 1 1 32 32 SER N N 15 112.6 . . 1 . . . . . . . . 4084 1 337 . 1 1 33 33 HIS H H 1 7.43 . . 1 . . . . . . . . 4084 1 338 . 1 1 33 33 HIS HA H 1 4.44 . . 1 . . . . . . . . 4084 1 339 . 1 1 33 33 HIS HB2 H 1 3.32 . . 2 . . . . . . . . 4084 1 340 . 1 1 33 33 HIS HB3 H 1 3.16 . . 2 . . . . . . . . 4084 1 341 . 1 1 33 33 HIS CA C 13 60.1 . . 1 . . . . . . . . 4084 1 342 . 1 1 33 33 HIS CB C 13 29.3 . . 1 . . . . . . . . 4084 1 343 . 1 1 33 33 HIS N N 15 114.7 . . 1 . . . . . . . . 4084 1 344 . 1 1 34 34 PHE H H 1 8.29 . . 1 . . . . . . . . 4084 1 345 . 1 1 34 34 PHE HA H 1 4.57 . . 1 . . . . . . . . 4084 1 346 . 1 1 34 34 PHE HB2 H 1 3.69 . . 2 . . . . . . . . 4084 1 347 . 1 1 34 34 PHE HB3 H 1 2.84 . . 2 . . . . . . . . 4084 1 348 . 1 1 34 34 PHE CA C 13 64.2 . . 1 . . . . . . . . 4084 1 349 . 1 1 34 34 PHE CB C 13 38.5 . . 1 . . . . . . . . 4084 1 350 . 1 1 34 34 PHE N N 15 113.2 . . 1 . . . . . . . . 4084 1 351 . 1 1 35 35 GLU H H 1 9.30 . . 1 . . . . . . . . 4084 1 352 . 1 1 35 35 GLU HA H 1 4.99 . . 1 . . . . . . . . 4084 1 353 . 1 1 35 35 GLU HB2 H 1 2.28 . . 2 . . . . . . . . 4084 1 354 . 1 1 35 35 GLU HB3 H 1 2.16 . . 2 . . . . . . . . 4084 1 355 . 1 1 35 35 GLU HG2 H 1 2.59 . . 1 . . . . . . . . 4084 1 356 . 1 1 35 35 GLU HG3 H 1 2.44 . . 2 . . . . . . . . 4084 1 357 . 1 1 35 35 GLU CA C 13 58.0 . . 1 . . . . . . . . 4084 1 358 . 1 1 35 35 GLU CB C 13 28.7 . . 1 . . . . . . . . 4084 1 359 . 1 1 35 35 GLU CG C 13 36.5 . . 1 . . . . . . . . 4084 1 360 . 1 1 35 35 GLU N N 15 124.3 . . 1 . . . . . . . . 4084 1 361 . 1 1 36 36 GLN H H 1 6.98 . . 1 . . . . . . . . 4084 1 362 . 1 1 36 36 GLN HA H 1 3.76 . . 1 . . . . . . . . 4084 1 363 . 1 1 36 36 GLN HB2 H 1 0.70 . . 1 . . . . . . . . 4084 1 364 . 1 1 36 36 GLN HB3 H 1 0.70 . . 1 . . . . . . . . 4084 1 365 . 1 1 36 36 GLN HG2 H 1 2.01 . . 2 . . . . . . . . 4084 1 366 . 1 1 36 36 GLN HG3 H 1 1.60 . . 2 . . . . . . . . 4084 1 367 . 1 1 36 36 GLN HE21 H 1 7.03 . . 2 . . . . . . . . 4084 1 368 . 1 1 36 36 GLN HE22 H 1 6.77 . . 2 . . . . . . . . 4084 1 369 . 1 1 36 36 GLN CA C 13 58.0 . . 1 . . . . . . . . 4084 1 370 . 1 1 36 36 GLN CB C 13 27.6 . . 1 . . . . . . . . 4084 1 371 . 1 1 36 36 GLN CG C 13 34.3 . . 1 . . . . . . . . 4084 1 372 . 1 1 36 36 GLN N N 15 116.4 . . 1 . . . . . . . . 4084 1 373 . 1 1 36 36 GLN NE2 N 15 110.8 . . 1 . . . . . . . . 4084 1 374 . 1 1 37 37 TRP H H 1 7.05 . . 1 . . . . . . . . 4084 1 375 . 1 1 37 37 TRP HA H 1 4.51 . . 1 . . . . . . . . 4084 1 376 . 1 1 37 37 TRP HB2 H 1 3.60 . . 2 . . . . . . . . 4084 1 377 . 1 1 37 37 TRP HB3 H 1 3.08 . . 2 . . . . . . . . 4084 1 378 . 1 1 37 37 TRP HE1 H 1 10.16 . . 1 . . . . . . . . 4084 1 379 . 1 1 37 37 TRP CA C 13 61.6 . . 1 . . . . . . . . 4084 1 380 . 1 1 37 37 TRP CB C 13 29.0 . . 1 . . . . . . . . 4084 1 381 . 1 1 37 37 TRP N N 15 114.3 . . 1 . . . . . . . . 4084 1 382 . 1 1 37 37 TRP NE1 N 15 130.9 . . 1 . . . . . . . . 4084 1 383 . 1 1 38 38 GLY H H 1 7.34 . . 1 . . . . . . . . 4084 1 384 . 1 1 38 38 GLY HA2 H 1 4.56 . . 2 . . . . . . . . 4084 1 385 . 1 1 38 38 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 4084 1 386 . 1 1 38 38 GLY CA C 13 45.5 . . 1 . . . . . . . . 4084 1 387 . 1 1 38 38 GLY N N 15 104.8 . . 1 . . . . . . . . 4084 1 388 . 1 1 39 39 THR H H 1 8.67 . . 1 . . . . . . . . 4084 1 389 . 1 1 39 39 THR HA H 1 4.27 . . 1 . . . . . . . . 4084 1 390 . 1 1 39 39 THR HB H 1 4.18 . . 1 . . . . . . . . 4084 1 391 . 1 1 39 39 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4084 1 392 . 1 1 39 39 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4084 1 393 . 1 1 39 39 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4084 1 394 . 1 1 39 39 THR CA C 13 63.0 . . 1 . . . . . . . . 4084 1 395 . 1 1 39 39 THR CB C 13 69.9 . . 1 . . . . . . . . 4084 1 396 . 1 1 39 39 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4084 1 397 . 1 1 39 39 THR N N 15 116.6 . . 1 . . . . . . . . 4084 1 398 . 1 1 40 40 LEU H H 1 8.87 . . 1 . . . . . . . . 4084 1 399 . 1 1 40 40 LEU HA H 1 4.98 . . 1 . . . . . . . . 4084 1 400 . 1 1 40 40 LEU HB2 H 1 1.68 . . 2 . . . . . . . . 4084 1 401 . 1 1 40 40 LEU HB3 H 1 1.14 . . 2 . . . . . . . . 4084 1 402 . 1 1 40 40 LEU HG H 1 1.59 . . 1 . . . . . . . . 4084 1 403 . 1 1 40 40 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4084 1 404 . 1 1 40 40 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4084 1 405 . 1 1 40 40 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4084 1 406 . 1 1 40 40 LEU HD21 H 1 0.15 . . 1 . . . . . . . . 4084 1 407 . 1 1 40 40 LEU HD22 H 1 0.15 . . 1 . . . . . . . . 4084 1 408 . 1 1 40 40 LEU HD23 H 1 0.15 . . 1 . . . . . . . . 4084 1 409 . 1 1 40 40 LEU CA C 13 53.0 . . 1 . . . . . . . . 4084 1 410 . 1 1 40 40 LEU CB C 13 41.8 . . 1 . . . . . . . . 4084 1 411 . 1 1 40 40 LEU CG C 13 26.9 . . 1 . . . . . . . . 4084 1 412 . 1 1 40 40 LEU CD1 C 13 28.4 . . 1 . . . . . . . . 4084 1 413 . 1 1 40 40 LEU CD2 C 13 24.5 . . 1 . . . . . . . . 4084 1 414 . 1 1 40 40 LEU N N 15 126.3 . . 1 . . . . . . . . 4084 1 415 . 1 1 41 41 THR H H 1 8.95 . . 1 . . . . . . . . 4084 1 416 . 1 1 41 41 THR HA H 1 4.23 . . 1 . . . . . . . . 4084 1 417 . 1 1 41 41 THR CA C 13 62.8 . . 1 . . . . . . . . 4084 1 418 . 1 1 41 41 THR CB C 13 67.7 . . 1 . . . . . . . . 4084 1 419 . 1 1 41 41 THR N N 15 117.0 . . 1 . . . . . . . . 4084 1 420 . 1 1 42 42 ASP H H 1 7.53 . . 1 . . . . . . . . 4084 1 421 . 1 1 42 42 ASP HA H 1 4.66 . . 1 . . . . . . . . 4084 1 422 . 1 1 42 42 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 4084 1 423 . 1 1 42 42 ASP HB3 H 1 2.41 . . 2 . . . . . . . . 4084 1 424 . 1 1 42 42 ASP CA C 13 54.2 . . 1 . . . . . . . . 4084 1 425 . 1 1 42 42 ASP CB C 13 44.3 . . 1 . . . . . . . . 4084 1 426 . 1 1 42 42 ASP N N 15 118.4 . . 1 . . . . . . . . 4084 1 427 . 1 1 43 43 CYS H H 1 8.50 . . 1 . . . . . . . . 4084 1 428 . 1 1 43 43 CYS HA H 1 4.88 . . 1 . . . . . . . . 4084 1 429 . 1 1 43 43 CYS HB2 H 1 2.81 . . 2 . . . . . . . . 4084 1 430 . 1 1 43 43 CYS HB3 H 1 2.68 . . 2 . . . . . . . . 4084 1 431 . 1 1 43 43 CYS CA C 13 59.5 . . 1 . . . . . . . . 4084 1 432 . 1 1 43 43 CYS CB C 13 26.4 . . 1 . . . . . . . . 4084 1 433 . 1 1 43 43 CYS N N 15 123.4 . . 1 . . . . . . . . 4084 1 434 . 1 1 44 44 VAL H H 1 8.77 . . 1 . . . . . . . . 4084 1 435 . 1 1 44 44 VAL HA H 1 4.62 . . 1 . . . . . . . . 4084 1 436 . 1 1 44 44 VAL HB H 1 1.81 . . 1 . . . . . . . . 4084 1 437 . 1 1 44 44 VAL HG11 H 1 0.89 . . 1 . . . . . . . . 4084 1 438 . 1 1 44 44 VAL HG12 H 1 0.89 . . 1 . . . . . . . . 4084 1 439 . 1 1 44 44 VAL HG13 H 1 0.89 . . 1 . . . . . . . . 4084 1 440 . 1 1 44 44 VAL HG21 H 1 0.89 . . 1 . . . . . . . . 4084 1 441 . 1 1 44 44 VAL HG22 H 1 0.89 . . 1 . . . . . . . . 4084 1 442 . 1 1 44 44 VAL HG23 H 1 0.89 . . 1 . . . . . . . . 4084 1 443 . 1 1 44 44 VAL CA C 13 60.2 . . 1 . . . . . . . . 4084 1 444 . 1 1 44 44 VAL CB C 13 36.6 . . 1 . . . . . . . . 4084 1 445 . 1 1 44 44 VAL CG1 C 13 21.2 . . 1 . . . . . . . . 4084 1 446 . 1 1 44 44 VAL CG2 C 13 21.2 . . 1 . . . . . . . . 4084 1 447 . 1 1 44 44 VAL N N 15 126.4 . . 1 . . . . . . . . 4084 1 448 . 1 1 45 45 VAL H H 1 8.31 . . 1 . . . . . . . . 4084 1 449 . 1 1 45 45 VAL HA H 1 3.75 . . 1 . . . . . . . . 4084 1 450 . 1 1 45 45 VAL HB H 1 1.84 . . 1 . . . . . . . . 4084 1 451 . 1 1 45 45 VAL HG11 H 1 0.58 . . 1 . . . . . . . . 4084 1 452 . 1 1 45 45 VAL HG12 H 1 0.58 . . 1 . . . . . . . . 4084 1 453 . 1 1 45 45 VAL HG13 H 1 0.58 . . 1 . . . . . . . . 4084 1 454 . 1 1 45 45 VAL HG21 H 1 0.71 . . 1 . . . . . . . . 4084 1 455 . 1 1 45 45 VAL HG22 H 1 0.71 . . 1 . . . . . . . . 4084 1 456 . 1 1 45 45 VAL HG23 H 1 0.71 . . 1 . . . . . . . . 4084 1 457 . 1 1 45 45 VAL CA C 13 62.5 . . 1 . . . . . . . . 4084 1 458 . 1 1 45 45 VAL CB C 13 33.1 . . 1 . . . . . . . . 4084 1 459 . 1 1 45 45 VAL CG1 C 13 22.7 . . 1 . . . . . . . . 4084 1 460 . 1 1 45 45 VAL CG2 C 13 20.6 . . 1 . . . . . . . . 4084 1 461 . 1 1 45 45 VAL N N 15 125.2 . . 1 . . . . . . . . 4084 1 462 . 1 1 46 46 MET H H 1 8.48 . . 1 . . . . . . . . 4084 1 463 . 1 1 46 46 MET HA H 1 4.48 . . 1 . . . . . . . . 4084 1 464 . 1 1 46 46 MET HB2 H 1 1.45 . . 2 . . . . . . . . 4084 1 465 . 1 1 46 46 MET HB3 H 1 1.05 . . 2 . . . . . . . . 4084 1 466 . 1 1 46 46 MET HG2 H 1 2.60 . . 2 . . . . . . . . 4084 1 467 . 1 1 46 46 MET HG3 H 1 2.29 . . 2 . . . . . . . . 4084 1 468 . 1 1 46 46 MET CA C 13 54.8 . . 1 . . . . . . . . 4084 1 469 . 1 1 46 46 MET CB C 13 30.4 . . 1 . . . . . . . . 4084 1 470 . 1 1 46 46 MET CG C 13 33.3 . . 1 . . . . . . . . 4084 1 471 . 1 1 46 46 MET N N 15 126.6 . . 1 . . . . . . . . 4084 1 472 . 1 1 47 47 ARG H H 1 8.36 . . 1 . . . . . . . . 4084 1 473 . 1 1 47 47 ARG HA H 1 4.87 . . 1 . . . . . . . . 4084 1 474 . 1 1 47 47 ARG HB2 H 1 1.40 . . 2 . . . . . . . . 4084 1 475 . 1 1 47 47 ARG HB3 H 1 1.20 . . 2 . . . . . . . . 4084 1 476 . 1 1 47 47 ARG CA C 13 54.3 . . 1 . . . . . . . . 4084 1 477 . 1 1 47 47 ARG CB C 13 34.0 . . 1 . . . . . . . . 4084 1 478 . 1 1 47 47 ARG N N 15 120.3 . . 1 . . . . . . . . 4084 1 479 . 1 1 48 48 ASP H H 1 8.62 . . 1 . . . . . . . . 4084 1 480 . 1 1 48 48 ASP HA H 1 4.73 . . 1 . . . . . . . . 4084 1 481 . 1 1 48 48 ASP HB2 H 1 3.05 . . 2 . . . . . . . . 4084 1 482 . 1 1 48 48 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 4084 1 483 . 1 1 48 48 ASP CA C 13 52.1 . . 1 . . . . . . . . 4084 1 484 . 1 1 48 48 ASP CB C 13 42.9 . . 1 . . . . . . . . 4084 1 485 . 1 1 48 48 ASP N N 15 124.9 . . 1 . . . . . . . . 4084 1 486 . 1 1 49 49 PRO HA H 1 4.34 . . 1 . . . . . . . . 4084 1 487 . 1 1 49 49 PRO HB2 H 1 2.33 . . 2 . . . . . . . . 4084 1 488 . 1 1 49 49 PRO HB3 H 1 1.96 . . 2 . . . . . . . . 4084 1 489 . 1 1 49 49 PRO HG2 H 1 2.11 . . 2 . . . . . . . . 4084 1 490 . 1 1 49 49 PRO HG3 H 1 2.03 . . 2 . . . . . . . . 4084 1 491 . 1 1 49 49 PRO HD2 H 1 3.98 . . 2 . . . . . . . . 4084 1 492 . 1 1 49 49 PRO HD3 H 1 3.87 . . 2 . . . . . . . . 4084 1 493 . 1 1 49 49 PRO CA C 13 64.6 . . 1 . . . . . . . . 4084 1 494 . 1 1 49 49 PRO CB C 13 32.3 . . 1 . . . . . . . . 4084 1 495 . 1 1 49 49 PRO CG C 13 27.2 . . 1 . . . . . . . . 4084 1 496 . 1 1 49 49 PRO CD C 13 50.9 . . 1 . . . . . . . . 4084 1 497 . 1 1 50 50 ASN H H 1 8.59 . . 1 . . . . . . . . 4084 1 498 . 1 1 50 50 ASN HA H 1 4.77 . . 1 . . . . . . . . 4084 1 499 . 1 1 50 50 ASN HB2 H 1 2.97 . . 2 . . . . . . . . 4084 1 500 . 1 1 50 50 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 4084 1 501 . 1 1 50 50 ASN HD21 H 1 7.93 . . 2 . . . . . . . . 4084 1 502 . 1 1 50 50 ASN HD22 H 1 7.07 . . 2 . . . . . . . . 4084 1 503 . 1 1 50 50 ASN CA C 13 55.4 . . 1 . . . . . . . . 4084 1 504 . 1 1 50 50 ASN CB C 13 39.5 . . 1 . . . . . . . . 4084 1 505 . 1 1 50 50 ASN N N 15 115.2 . . 1 . . . . . . . . 4084 1 506 . 1 1 50 50 ASN ND2 N 15 114.0 . . 1 . . . . . . . . 4084 1 507 . 1 1 51 51 THR H H 1 8.33 . . 1 . . . . . . . . 4084 1 508 . 1 1 51 51 THR HA H 1 4.32 . . 1 . . . . . . . . 4084 1 509 . 1 1 51 51 THR HB H 1 4.37 . . 1 . . . . . . . . 4084 1 510 . 1 1 51 51 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4084 1 511 . 1 1 51 51 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4084 1 512 . 1 1 51 51 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4084 1 513 . 1 1 51 51 THR CA C 13 62.1 . . 1 . . . . . . . . 4084 1 514 . 1 1 51 51 THR CB C 13 70.7 . . 1 . . . . . . . . 4084 1 515 . 1 1 51 51 THR CG2 C 13 20.9 . . 1 . . . . . . . . 4084 1 516 . 1 1 51 51 THR N N 15 108.5 . . 1 . . . . . . . . 4084 1 517 . 1 1 52 52 LYS H H 1 8.12 . . 1 . . . . . . . . 4084 1 518 . 1 1 52 52 LYS HA H 1 3.95 . . 1 . . . . . . . . 4084 1 519 . 1 1 52 52 LYS HB2 H 1 2.21 . . 2 . . . . . . . . 4084 1 520 . 1 1 52 52 LYS HB3 H 1 2.08 . . 2 . . . . . . . . 4084 1 521 . 1 1 52 52 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 4084 1 522 . 1 1 52 52 LYS HG3 H 1 1.30 . . 2 . . . . . . . . 4084 1 523 . 1 1 52 52 LYS HD2 H 1 1.64 . . 2 . . . . . . . . 4084 1 524 . 1 1 52 52 LYS HD3 H 1 1.59 . . 2 . . . . . . . . 4084 1 525 . 1 1 52 52 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4084 1 526 . 1 1 52 52 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4084 1 527 . 1 1 52 52 LYS CA C 13 58.0 . . 1 . . . . . . . . 4084 1 528 . 1 1 52 52 LYS CB C 13 29.3 . . 1 . . . . . . . . 4084 1 529 . 1 1 52 52 LYS CG C 13 25.2 . . 1 . . . . . . . . 4084 1 530 . 1 1 52 52 LYS CD C 13 28.6 . . 1 . . . . . . . . 4084 1 531 . 1 1 52 52 LYS CE C 13 42.4 . . 1 . . . . . . . . 4084 1 532 . 1 1 52 52 LYS N N 15 114.3 . . 1 . . . . . . . . 4084 1 533 . 1 1 53 53 ARG H H 1 7.89 . . 1 . . . . . . . . 4084 1 534 . 1 1 53 53 ARG HA H 1 4.20 . . 1 . . . . . . . . 4084 1 535 . 1 1 53 53 ARG HB2 H 1 1.80 . . 2 . . . . . . . . 4084 1 536 . 1 1 53 53 ARG HB3 H 1 1.64 . . 2 . . . . . . . . 4084 1 537 . 1 1 53 53 ARG HG2 H 1 1.68 . . 2 . . . . . . . . 4084 1 538 . 1 1 53 53 ARG HG3 H 1 1.45 . . 2 . . . . . . . . 4084 1 539 . 1 1 53 53 ARG HD2 H 1 3.15 . . 1 . . . . . . . . 4084 1 540 . 1 1 53 53 ARG HD3 H 1 3.15 . . 1 . . . . . . . . 4084 1 541 . 1 1 53 53 ARG CA C 13 56.3 . . 1 . . . . . . . . 4084 1 542 . 1 1 53 53 ARG CB C 13 31.1 . . 1 . . . . . . . . 4084 1 543 . 1 1 53 53 ARG CG C 13 27.8 . . 1 . . . . . . . . 4084 1 544 . 1 1 53 53 ARG CD C 13 43.2 . . 1 . . . . . . . . 4084 1 545 . 1 1 53 53 ARG N N 15 120.1 . . 1 . . . . . . . . 4084 1 546 . 1 1 54 54 SER H H 1 8.86 . . 1 . . . . . . . . 4084 1 547 . 1 1 54 54 SER HA H 1 4.21 . . 1 . . . . . . . . 4084 1 548 . 1 1 54 54 SER HB2 H 1 4.04 . . 2 . . . . . . . . 4084 1 549 . 1 1 54 54 SER HB3 H 1 3.85 . . 2 . . . . . . . . 4084 1 550 . 1 1 54 54 SER CA C 13 58.6 . . 1 . . . . . . . . 4084 1 551 . 1 1 54 54 SER CB C 13 63.8 . . 1 . . . . . . . . 4084 1 552 . 1 1 54 54 SER N N 15 116.6 . . 1 . . . . . . . . 4084 1 553 . 1 1 55 55 ARG H H 1 9.02 . . 1 . . . . . . . . 4084 1 554 . 1 1 55 55 ARG HA H 1 4.43 . . 1 . . . . . . . . 4084 1 555 . 1 1 55 55 ARG HB2 H 1 2.25 . . 2 . . . . . . . . 4084 1 556 . 1 1 55 55 ARG HB3 H 1 0.93 . . 2 . . . . . . . . 4084 1 557 . 1 1 55 55 ARG CA C 13 56.1 . . 1 . . . . . . . . 4084 1 558 . 1 1 55 55 ARG CB C 13 31.4 . . 1 . . . . . . . . 4084 1 559 . 1 1 55 55 ARG N N 15 123.2 . . 1 . . . . . . . . 4084 1 560 . 1 1 56 56 GLY H H 1 9.42 . . 1 . . . . . . . . 4084 1 561 . 1 1 56 56 GLY HA2 H 1 4.14 . . 2 . . . . . . . . 4084 1 562 . 1 1 56 56 GLY HA3 H 1 3.13 . . 2 . . . . . . . . 4084 1 563 . 1 1 56 56 GLY CA C 13 45.7 . . 1 . . . . . . . . 4084 1 564 . 1 1 56 56 GLY N N 15 107.1 . . 1 . . . . . . . . 4084 1 565 . 1 1 57 57 PHE H H 1 7.07 . . 1 . . . . . . . . 4084 1 566 . 1 1 57 57 PHE HA H 1 5.23 . . 1 . . . . . . . . 4084 1 567 . 1 1 57 57 PHE HB2 H 1 3.19 . . 2 . . . . . . . . 4084 1 568 . 1 1 57 57 PHE HB3 H 1 2.73 . . 2 . . . . . . . . 4084 1 569 . 1 1 57 57 PHE CA C 13 54.9 . . 1 . . . . . . . . 4084 1 570 . 1 1 57 57 PHE CB C 13 41.8 . . 1 . . . . . . . . 4084 1 571 . 1 1 57 57 PHE N N 15 112.1 . . 1 . . . . . . . . 4084 1 572 . 1 1 58 58 GLY H H 1 8.37 . . 1 . . . . . . . . 4084 1 573 . 1 1 58 58 GLY HA2 H 1 4.18 . . 2 . . . . . . . . 4084 1 574 . 1 1 58 58 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 4084 1 575 . 1 1 58 58 GLY CA C 13 45.3 . . 1 . . . . . . . . 4084 1 576 . 1 1 58 58 GLY N N 15 106.5 . . 1 . . . . . . . . 4084 1 577 . 1 1 59 59 PHE H H 1 8.93 . . 1 . . . . . . . . 4084 1 578 . 1 1 59 59 PHE HA H 1 5.69 . . 1 . . . . . . . . 4084 1 579 . 1 1 59 59 PHE HB2 H 1 2.87 . . 2 . . . . . . . . 4084 1 580 . 1 1 59 59 PHE HB3 H 1 2.60 . . 2 . . . . . . . . 4084 1 581 . 1 1 59 59 PHE CA C 13 56.5 . . 1 . . . . . . . . 4084 1 582 . 1 1 59 59 PHE CB C 13 44.1 . . 1 . . . . . . . . 4084 1 583 . 1 1 59 59 PHE N N 15 114.8 . . 1 . . . . . . . . 4084 1 584 . 1 1 60 60 VAL H H 1 8.59 . . 1 . . . . . . . . 4084 1 585 . 1 1 60 60 VAL HA H 1 4.58 . . 1 . . . . . . . . 4084 1 586 . 1 1 60 60 VAL HB H 1 1.71 . . 1 . . . . . . . . 4084 1 587 . 1 1 60 60 VAL HG11 H 1 0.54 . . 1 . . . . . . . . 4084 1 588 . 1 1 60 60 VAL HG12 H 1 0.54 . . 1 . . . . . . . . 4084 1 589 . 1 1 60 60 VAL HG13 H 1 0.54 . . 1 . . . . . . . . 4084 1 590 . 1 1 60 60 VAL HG21 H 1 0.32 . . 1 . . . . . . . . 4084 1 591 . 1 1 60 60 VAL HG22 H 1 0.32 . . 1 . . . . . . . . 4084 1 592 . 1 1 60 60 VAL HG23 H 1 0.32 . . 1 . . . . . . . . 4084 1 593 . 1 1 60 60 VAL CA C 13 59.5 . . 1 . . . . . . . . 4084 1 594 . 1 1 60 60 VAL CB C 13 34.7 . . 1 . . . . . . . . 4084 1 595 . 1 1 60 60 VAL CG1 C 13 22.3 . . 1 . . . . . . . . 4084 1 596 . 1 1 60 60 VAL CG2 C 13 20.1 . . 1 . . . . . . . . 4084 1 597 . 1 1 60 60 VAL N N 15 114.9 . . 1 . . . . . . . . 4084 1 598 . 1 1 61 61 THR H H 1 8.21 . . 1 . . . . . . . . 4084 1 599 . 1 1 61 61 THR HA H 1 5.12 . . 1 . . . . . . . . 4084 1 600 . 1 1 61 61 THR HB H 1 3.77 . . 1 . . . . . . . . 4084 1 601 . 1 1 61 61 THR HG21 H 1 1.08 . . 1 . . . . . . . . 4084 1 602 . 1 1 61 61 THR HG22 H 1 1.08 . . 1 . . . . . . . . 4084 1 603 . 1 1 61 61 THR HG23 H 1 1.08 . . 1 . . . . . . . . 4084 1 604 . 1 1 61 61 THR CA C 13 60.9 . . 1 . . . . . . . . 4084 1 605 . 1 1 61 61 THR CB C 13 70.2 . . 1 . . . . . . . . 4084 1 606 . 1 1 61 61 THR CG2 C 13 22.6 . . 1 . . . . . . . . 4084 1 607 . 1 1 61 61 THR N N 15 119.8 . . 1 . . . . . . . . 4084 1 608 . 1 1 62 62 TYR H H 1 8.41 . . 1 . . . . . . . . 4084 1 609 . 1 1 62 62 TYR HA H 1 5.38 . . 1 . . . . . . . . 4084 1 610 . 1 1 62 62 TYR HB2 H 1 3.77 . . 2 . . . . . . . . 4084 1 611 . 1 1 62 62 TYR HB3 H 1 2.80 . . 2 . . . . . . . . 4084 1 612 . 1 1 62 62 TYR CA C 13 58.4 . . 1 . . . . . . . . 4084 1 613 . 1 1 62 62 TYR CB C 13 42.3 . . 1 . . . . . . . . 4084 1 614 . 1 1 62 62 TYR N N 15 124.9 . . 1 . . . . . . . . 4084 1 615 . 1 1 63 63 ALA H H 1 8.77 . . 1 . . . . . . . . 4084 1 616 . 1 1 63 63 ALA HA H 1 4.09 . . 1 . . . . . . . . 4084 1 617 . 1 1 63 63 ALA HB1 H 1 1.68 . . 1 . . . . . . . . 4084 1 618 . 1 1 63 63 ALA HB2 H 1 1.68 . . 1 . . . . . . . . 4084 1 619 . 1 1 63 63 ALA HB3 H 1 1.68 . . 1 . . . . . . . . 4084 1 620 . 1 1 63 63 ALA CA C 13 55.3 . . 1 . . . . . . . . 4084 1 621 . 1 1 63 63 ALA CB C 13 19.1 . . 1 . . . . . . . . 4084 1 622 . 1 1 63 63 ALA N N 15 121.2 . . 1 . . . . . . . . 4084 1 623 . 1 1 64 64 THR H H 1 7.99 . . 1 . . . . . . . . 4084 1 624 . 1 1 64 64 THR HA H 1 4.94 . . 1 . . . . . . . . 4084 1 625 . 1 1 64 64 THR HB H 1 4.73 . . 1 . . . . . . . . 4084 1 626 . 1 1 64 64 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4084 1 627 . 1 1 64 64 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4084 1 628 . 1 1 64 64 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4084 1 629 . 1 1 64 64 THR CA C 13 59.1 . . 1 . . . . . . . . 4084 1 630 . 1 1 64 64 THR CB C 13 73.2 . . 1 . . . . . . . . 4084 1 631 . 1 1 64 64 THR CG2 C 13 21.6 . . 1 . . . . . . . . 4084 1 632 . 1 1 64 64 THR N N 15 104.8 . . 1 . . . . . . . . 4084 1 633 . 1 1 65 65 VAL H H 1 8.99 . . 1 . . . . . . . . 4084 1 634 . 1 1 65 65 VAL HA H 1 3.70 . . 1 . . . . . . . . 4084 1 635 . 1 1 65 65 VAL HB H 1 2.06 . . 1 . . . . . . . . 4084 1 636 . 1 1 65 65 VAL HG11 H 1 0.96 . . 1 . . . . . . . . 4084 1 637 . 1 1 65 65 VAL HG12 H 1 0.96 . . 1 . . . . . . . . 4084 1 638 . 1 1 65 65 VAL HG13 H 1 0.96 . . 1 . . . . . . . . 4084 1 639 . 1 1 65 65 VAL HG21 H 1 0.96 . . 1 . . . . . . . . 4084 1 640 . 1 1 65 65 VAL HG22 H 1 0.96 . . 1 . . . . . . . . 4084 1 641 . 1 1 65 65 VAL HG23 H 1 0.96 . . 1 . . . . . . . . 4084 1 642 . 1 1 65 65 VAL CA C 13 65.7 . . 1 . . . . . . . . 4084 1 643 . 1 1 65 65 VAL CB C 13 31.6 . . 1 . . . . . . . . 4084 1 644 . 1 1 65 65 VAL CG1 C 13 21.8 . . 1 . . . . . . . . 4084 1 645 . 1 1 65 65 VAL CG2 C 13 21.8 . . 1 . . . . . . . . 4084 1 646 . 1 1 65 65 VAL N N 15 120.6 . . 1 . . . . . . . . 4084 1 647 . 1 1 66 66 GLU H H 1 8.72 . . 1 . . . . . . . . 4084 1 648 . 1 1 66 66 GLU HA H 1 4.08 . . 1 . . . . . . . . 4084 1 649 . 1 1 66 66 GLU HB2 H 1 2.11 . . 2 . . . . . . . . 4084 1 650 . 1 1 66 66 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 4084 1 651 . 1 1 66 66 GLU HG2 H 1 2.47 . . 1 . . . . . . . . 4084 1 652 . 1 1 66 66 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 4084 1 653 . 1 1 66 66 GLU CA C 13 60.4 . . 1 . . . . . . . . 4084 1 654 . 1 1 66 66 GLU CB C 13 28.9 . . 1 . . . . . . . . 4084 1 655 . 1 1 66 66 GLU CG C 13 36.8 . . 1 . . . . . . . . 4084 1 656 . 1 1 66 66 GLU N N 15 120.5 . . 1 . . . . . . . . 4084 1 657 . 1 1 67 67 GLU H H 1 7.51 . . 1 . . . . . . . . 4084 1 658 . 1 1 67 67 GLU HA H 1 3.90 . . 1 . . . . . . . . 4084 1 659 . 1 1 67 67 GLU HB2 H 1 2.31 . . 2 . . . . . . . . 4084 1 660 . 1 1 67 67 GLU HB3 H 1 1.78 . . 2 . . . . . . . . 4084 1 661 . 1 1 67 67 GLU HG2 H 1 2.44 . . 1 . . . . . . . . 4084 1 662 . 1 1 67 67 GLU HG3 H 1 2.33 . . 2 . . . . . . . . 4084 1 663 . 1 1 67 67 GLU CA C 13 59.3 . . 1 . . . . . . . . 4084 1 664 . 1 1 67 67 GLU CB C 13 29.2 . . 1 . . . . . . . . 4084 1 665 . 1 1 67 67 GLU CG C 13 36.7 . . 1 . . . . . . . . 4084 1 666 . 1 1 67 67 GLU N N 15 120.4 . . 1 . . . . . . . . 4084 1 667 . 1 1 68 68 VAL H H 1 6.91 . . 1 . . . . . . . . 4084 1 668 . 1 1 68 68 VAL HA H 1 3.19 . . 1 . . . . . . . . 4084 1 669 . 1 1 68 68 VAL HB H 1 2.45 . . 1 . . . . . . . . 4084 1 670 . 1 1 68 68 VAL HG11 H 1 1.29 . . 1 . . . . . . . . 4084 1 671 . 1 1 68 68 VAL HG12 H 1 1.29 . . 1 . . . . . . . . 4084 1 672 . 1 1 68 68 VAL HG13 H 1 1.29 . . 1 . . . . . . . . 4084 1 673 . 1 1 68 68 VAL HG21 H 1 1.02 . . 1 . . . . . . . . 4084 1 674 . 1 1 68 68 VAL HG22 H 1 1.02 . . 1 . . . . . . . . 4084 1 675 . 1 1 68 68 VAL HG23 H 1 1.02 . . 1 . . . . . . . . 4084 1 676 . 1 1 68 68 VAL CA C 13 66.4 . . 1 . . . . . . . . 4084 1 677 . 1 1 68 68 VAL CB C 13 31.2 . . 1 . . . . . . . . 4084 1 678 . 1 1 68 68 VAL CG1 C 13 24.4 . . 1 . . . . . . . . 4084 1 679 . 1 1 68 68 VAL CG2 C 13 22.3 . . 1 . . . . . . . . 4084 1 680 . 1 1 68 68 VAL N N 15 118.1 . . 1 . . . . . . . . 4084 1 681 . 1 1 69 69 ASP H H 1 8.15 . . 1 . . . . . . . . 4084 1 682 . 1 1 69 69 ASP HA H 1 4.16 . . 1 . . . . . . . . 4084 1 683 . 1 1 69 69 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 4084 1 684 . 1 1 69 69 ASP HB3 H 1 2.55 . . 2 . . . . . . . . 4084 1 685 . 1 1 69 69 ASP CA C 13 57.4 . . 1 . . . . . . . . 4084 1 686 . 1 1 69 69 ASP CB C 13 39.9 . . 1 . . . . . . . . 4084 1 687 . 1 1 69 69 ASP N N 15 119.0 . . 1 . . . . . . . . 4084 1 688 . 1 1 70 70 ALA H H 1 7.76 . . 1 . . . . . . . . 4084 1 689 . 1 1 70 70 ALA HA H 1 4.11 . . 1 . . . . . . . . 4084 1 690 . 1 1 70 70 ALA HB1 H 1 1.73 . . 1 . . . . . . . . 4084 1 691 . 1 1 70 70 ALA HB2 H 1 1.73 . . 1 . . . . . . . . 4084 1 692 . 1 1 70 70 ALA HB3 H 1 1.73 . . 1 . . . . . . . . 4084 1 693 . 1 1 70 70 ALA CA C 13 55.2 . . 1 . . . . . . . . 4084 1 694 . 1 1 70 70 ALA CB C 13 18.2 . . 1 . . . . . . . . 4084 1 695 . 1 1 70 70 ALA N N 15 122.6 . . 1 . . . . . . . . 4084 1 696 . 1 1 71 71 ALA H H 1 8.14 . . 1 . . . . . . . . 4084 1 697 . 1 1 71 71 ALA HA H 1 3.00 . . 1 . . . . . . . . 4084 1 698 . 1 1 71 71 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4084 1 699 . 1 1 71 71 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4084 1 700 . 1 1 71 71 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4084 1 701 . 1 1 71 71 ALA CA C 13 55.4 . . 1 . . . . . . . . 4084 1 702 . 1 1 71 71 ALA CB C 13 18.2 . . 1 . . . . . . . . 4084 1 703 . 1 1 71 71 ALA N N 15 121.1 . . 1 . . . . . . . . 4084 1 704 . 1 1 72 72 MET H H 1 8.72 . . 1 . . . . . . . . 4084 1 705 . 1 1 72 72 MET HA H 1 4.44 . . 1 . . . . . . . . 4084 1 706 . 1 1 72 72 MET HB2 H 1 2.24 . . 2 . . . . . . . . 4084 1 707 . 1 1 72 72 MET HB3 H 1 2.04 . . 2 . . . . . . . . 4084 1 708 . 1 1 72 72 MET HG2 H 1 2.56 . . 2 . . . . . . . . 4084 1 709 . 1 1 72 72 MET HG3 H 1 2.50 . . 2 . . . . . . . . 4084 1 710 . 1 1 72 72 MET CA C 13 56.3 . . 1 . . . . . . . . 4084 1 711 . 1 1 72 72 MET CB C 13 30.7 . . 1 . . . . . . . . 4084 1 712 . 1 1 72 72 MET CG C 13 33.1 . . 1 . . . . . . . . 4084 1 713 . 1 1 72 72 MET N N 15 117.7 . . 1 . . . . . . . . 4084 1 714 . 1 1 73 73 ASN H H 1 8.06 . . 1 . . . . . . . . 4084 1 715 . 1 1 73 73 ASN HA H 1 4.66 . . 1 . . . . . . . . 4084 1 716 . 1 1 73 73 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 4084 1 717 . 1 1 73 73 ASN HB3 H 1 2.80 . . 2 . . . . . . . . 4084 1 718 . 1 1 73 73 ASN HD21 H 1 7.54 . . 2 . . . . . . . . 4084 1 719 . 1 1 73 73 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 4084 1 720 . 1 1 73 73 ASN CA C 13 54.3 . . 1 . . . . . . . . 4084 1 721 . 1 1 73 73 ASN CB C 13 38.6 . . 1 . . . . . . . . 4084 1 722 . 1 1 73 73 ASN N N 15 118.6 . . 1 . . . . . . . . 4084 1 723 . 1 1 73 73 ASN ND2 N 15 112.0 . . 1 . . . . . . . . 4084 1 724 . 1 1 74 74 ALA H H 1 6.98 . . 1 . . . . . . . . 4084 1 725 . 1 1 74 74 ALA HA H 1 4.36 . . 1 . . . . . . . . 4084 1 726 . 1 1 74 74 ALA HB1 H 1 0.92 . . 1 . . . . . . . . 4084 1 727 . 1 1 74 74 ALA HB2 H 1 0.92 . . 1 . . . . . . . . 4084 1 728 . 1 1 74 74 ALA HB3 H 1 0.92 . . 1 . . . . . . . . 4084 1 729 . 1 1 74 74 ALA CA C 13 51.3 . . 1 . . . . . . . . 4084 1 730 . 1 1 74 74 ALA CB C 13 19.0 . . 1 . . . . . . . . 4084 1 731 . 1 1 74 74 ALA N N 15 122.3 . . 1 . . . . . . . . 4084 1 732 . 1 1 75 75 ARG H H 1 6.94 . . 1 . . . . . . . . 4084 1 733 . 1 1 75 75 ARG HA H 1 3.71 . . 1 . . . . . . . . 4084 1 734 . 1 1 75 75 ARG HB2 H 1 1.86 . . 1 . . . . . . . . 4084 1 735 . 1 1 75 75 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 4084 1 736 . 1 1 75 75 ARG HG2 H 1 1.84 . . 1 . . . . . . . . 4084 1 737 . 1 1 75 75 ARG HG3 H 1 1.84 . . 1 . . . . . . . . 4084 1 738 . 1 1 75 75 ARG HD2 H 1 3.37 . . 1 . . . . . . . . 4084 1 739 . 1 1 75 75 ARG HD3 H 1 3.37 . . 1 . . . . . . . . 4084 1 740 . 1 1 75 75 ARG CA C 13 54.9 . . 1 . . . . . . . . 4084 1 741 . 1 1 75 75 ARG CB C 13 30.4 . . 1 . . . . . . . . 4084 1 742 . 1 1 75 75 ARG CG C 13 27.3 . . 1 . . . . . . . . 4084 1 743 . 1 1 75 75 ARG CD C 13 43.6 . . 1 . . . . . . . . 4084 1 744 . 1 1 75 75 ARG N N 15 116.7 . . 1 . . . . . . . . 4084 1 745 . 1 1 76 76 PRO HA H 1 4.50 . . 1 . . . . . . . . 4084 1 746 . 1 1 76 76 PRO HB2 H 1 2.41 . . 2 . . . . . . . . 4084 1 747 . 1 1 76 76 PRO HB3 H 1 1.89 . . 2 . . . . . . . . 4084 1 748 . 1 1 76 76 PRO HG2 H 1 1.97 . . 1 . . . . . . . . 4084 1 749 . 1 1 76 76 PRO HG3 H 1 1.97 . . 1 . . . . . . . . 4084 1 750 . 1 1 76 76 PRO HD2 H 1 3.63 . . 2 . . . . . . . . 4084 1 751 . 1 1 76 76 PRO HD3 H 1 3.49 . . 2 . . . . . . . . 4084 1 752 . 1 1 76 76 PRO CA C 13 61.8 . . 1 . . . . . . . . 4084 1 753 . 1 1 76 76 PRO CB C 13 35.1 . . 1 . . . . . . . . 4084 1 754 . 1 1 76 76 PRO CG C 13 31.1 . . 1 . . . . . . . . 4084 1 755 . 1 1 76 76 PRO CD C 13 50.1 . . 1 . . . . . . . . 4084 1 756 . 1 1 77 77 HIS H H 1 9.46 . . 1 . . . . . . . . 4084 1 757 . 1 1 77 77 HIS HA H 1 4.56 . . 1 . . . . . . . . 4084 1 758 . 1 1 77 77 HIS HB2 H 1 2.99 . . 2 . . . . . . . . 4084 1 759 . 1 1 77 77 HIS HB3 H 1 2.38 . . 2 . . . . . . . . 4084 1 760 . 1 1 77 77 HIS CA C 13 56.2 . . 1 . . . . . . . . 4084 1 761 . 1 1 77 77 HIS CB C 13 32.1 . . 1 . . . . . . . . 4084 1 762 . 1 1 77 77 HIS N N 15 121.2 . . 1 . . . . . . . . 4084 1 763 . 1 1 78 78 LYS H H 1 8.51 . . 1 . . . . . . . . 4084 1 764 . 1 1 78 78 LYS HA H 1 5.01 . . 1 . . . . . . . . 4084 1 765 . 1 1 78 78 LYS HB2 H 1 1.61 . . 2 . . . . . . . . 4084 1 766 . 1 1 78 78 LYS HB3 H 1 1.48 . . 2 . . . . . . . . 4084 1 767 . 1 1 78 78 LYS HG2 H 1 1.06 . . 1 . . . . . . . . 4084 1 768 . 1 1 78 78 LYS HG3 H 1 1.06 . . 1 . . . . . . . . 4084 1 769 . 1 1 78 78 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 4084 1 770 . 1 1 78 78 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 4084 1 771 . 1 1 78 78 LYS HE2 H 1 2.81 . . 1 . . . . . . . . 4084 1 772 . 1 1 78 78 LYS HE3 H 1 2.81 . . 1 . . . . . . . . 4084 1 773 . 1 1 78 78 LYS CA C 13 54.7 . . 1 . . . . . . . . 4084 1 774 . 1 1 78 78 LYS CB C 13 33.5 . . 1 . . . . . . . . 4084 1 775 . 1 1 78 78 LYS CG C 13 25.4 . . 1 . . . . . . . . 4084 1 776 . 1 1 78 78 LYS CD C 13 29.4 . . 1 . . . . . . . . 4084 1 777 . 1 1 78 78 LYS CE C 13 41.6 . . 1 . . . . . . . . 4084 1 778 . 1 1 78 78 LYS N N 15 125.0 . . 1 . . . . . . . . 4084 1 779 . 1 1 79 79 VAL H H 1 8.66 . . 1 . . . . . . . . 4084 1 780 . 1 1 79 79 VAL HA H 1 4.01 . . 1 . . . . . . . . 4084 1 781 . 1 1 79 79 VAL HB H 1 1.76 . . 1 . . . . . . . . 4084 1 782 . 1 1 79 79 VAL HG11 H 1 0.76 . . 1 . . . . . . . . 4084 1 783 . 1 1 79 79 VAL HG12 H 1 0.76 . . 1 . . . . . . . . 4084 1 784 . 1 1 79 79 VAL HG13 H 1 0.76 . . 1 . . . . . . . . 4084 1 785 . 1 1 79 79 VAL HG21 H 1 0.19 . . 1 . . . . . . . . 4084 1 786 . 1 1 79 79 VAL HG22 H 1 0.19 . . 1 . . . . . . . . 4084 1 787 . 1 1 79 79 VAL HG23 H 1 0.19 . . 1 . . . . . . . . 4084 1 788 . 1 1 79 79 VAL CA C 13 60.8 . . 1 . . . . . . . . 4084 1 789 . 1 1 79 79 VAL CB C 13 33.4 . . 1 . . . . . . . . 4084 1 790 . 1 1 79 79 VAL CG1 C 13 21.7 . . 1 . . . . . . . . 4084 1 791 . 1 1 79 79 VAL CG2 C 13 21.0 . . 1 . . . . . . . . 4084 1 792 . 1 1 79 79 VAL N N 15 123.9 . . 1 . . . . . . . . 4084 1 793 . 1 1 80 80 ASP H H 1 9.59 . . 1 . . . . . . . . 4084 1 794 . 1 1 80 80 ASP HA H 1 4.27 . . 1 . . . . . . . . 4084 1 795 . 1 1 80 80 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 4084 1 796 . 1 1 80 80 ASP HB3 H 1 2.47 . . 2 . . . . . . . . 4084 1 797 . 1 1 80 80 ASP CA C 13 56.0 . . 1 . . . . . . . . 4084 1 798 . 1 1 80 80 ASP CB C 13 39.8 . . 1 . . . . . . . . 4084 1 799 . 1 1 80 80 ASP N N 15 128.4 . . 1 . . . . . . . . 4084 1 800 . 1 1 81 81 GLY H H 1 8.54 . . 1 . . . . . . . . 4084 1 801 . 1 1 81 81 GLY HA2 H 1 4.19 . . 2 . . . . . . . . 4084 1 802 . 1 1 81 81 GLY HA3 H 1 3.49 . . 2 . . . . . . . . 4084 1 803 . 1 1 81 81 GLY CA C 13 45.5 . . 1 . . . . . . . . 4084 1 804 . 1 1 81 81 GLY N N 15 101.4 . . 1 . . . . . . . . 4084 1 805 . 1 1 82 82 ARG H H 1 7.58 . . 1 . . . . . . . . 4084 1 806 . 1 1 82 82 ARG HA H 1 4.68 . . 1 . . . . . . . . 4084 1 807 . 1 1 82 82 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 4084 1 808 . 1 1 82 82 ARG HB3 H 1 1.65 . . 2 . . . . . . . . 4084 1 809 . 1 1 82 82 ARG HG2 H 1 1.60 . . 1 . . . . . . . . 4084 1 810 . 1 1 82 82 ARG HG3 H 1 1.60 . . 1 . . . . . . . . 4084 1 811 . 1 1 82 82 ARG HD2 H 1 3.21 . . 1 . . . . . . . . 4084 1 812 . 1 1 82 82 ARG HD3 H 1 3.21 . . 1 . . . . . . . . 4084 1 813 . 1 1 82 82 ARG CA C 13 53.2 . . 1 . . . . . . . . 4084 1 814 . 1 1 82 82 ARG CB C 13 32.5 . . 1 . . . . . . . . 4084 1 815 . 1 1 82 82 ARG CG C 13 26.1 . . 1 . . . . . . . . 4084 1 816 . 1 1 82 82 ARG CD C 13 42.7 . . 1 . . . . . . . . 4084 1 817 . 1 1 82 82 ARG N N 15 120.0 . . 1 . . . . . . . . 4084 1 818 . 1 1 83 83 VAL H H 1 8.69 . . 1 . . . . . . . . 4084 1 819 . 1 1 83 83 VAL HA H 1 4.53 . . 1 . . . . . . . . 4084 1 820 . 1 1 83 83 VAL HB H 1 2.00 . . 1 . . . . . . . . 4084 1 821 . 1 1 83 83 VAL HG11 H 1 0.96 . . 1 . . . . . . . . 4084 1 822 . 1 1 83 83 VAL HG12 H 1 0.96 . . 1 . . . . . . . . 4084 1 823 . 1 1 83 83 VAL HG13 H 1 0.96 . . 1 . . . . . . . . 4084 1 824 . 1 1 83 83 VAL HG21 H 1 0.96 . . 1 . . . . . . . . 4084 1 825 . 1 1 83 83 VAL HG22 H 1 0.96 . . 1 . . . . . . . . 4084 1 826 . 1 1 83 83 VAL HG23 H 1 0.96 . . 1 . . . . . . . . 4084 1 827 . 1 1 83 83 VAL CA C 13 63.2 . . 1 . . . . . . . . 4084 1 828 . 1 1 83 83 VAL CB C 13 31.0 . . 1 . . . . . . . . 4084 1 829 . 1 1 83 83 VAL CG1 C 13 22.0 . . 1 . . . . . . . . 4084 1 830 . 1 1 83 83 VAL CG2 C 13 22.0 . . 1 . . . . . . . . 4084 1 831 . 1 1 83 83 VAL N N 15 124.5 . . 1 . . . . . . . . 4084 1 832 . 1 1 84 84 VAL H H 1 8.44 . . 1 . . . . . . . . 4084 1 833 . 1 1 84 84 VAL HA H 1 4.73 . . 1 . . . . . . . . 4084 1 834 . 1 1 84 84 VAL HB H 1 2.22 . . 1 . . . . . . . . 4084 1 835 . 1 1 84 84 VAL HG11 H 1 0.82 . . 1 . . . . . . . . 4084 1 836 . 1 1 84 84 VAL HG12 H 1 0.82 . . 1 . . . . . . . . 4084 1 837 . 1 1 84 84 VAL HG13 H 1 0.82 . . 1 . . . . . . . . 4084 1 838 . 1 1 84 84 VAL HG21 H 1 0.70 . . 1 . . . . . . . . 4084 1 839 . 1 1 84 84 VAL HG22 H 1 0.70 . . 1 . . . . . . . . 4084 1 840 . 1 1 84 84 VAL HG23 H 1 0.70 . . 1 . . . . . . . . 4084 1 841 . 1 1 84 84 VAL CA C 13 59.6 . . 1 . . . . . . . . 4084 1 842 . 1 1 84 84 VAL CB C 13 32.8 . . 1 . . . . . . . . 4084 1 843 . 1 1 84 84 VAL CG1 C 13 22.5 . . 1 . . . . . . . . 4084 1 844 . 1 1 84 84 VAL CG2 C 13 19.2 . . 1 . . . . . . . . 4084 1 845 . 1 1 84 84 VAL N N 15 122.5 . . 1 . . . . . . . . 4084 1 846 . 1 1 85 85 GLU H H 1 8.74 . . 1 . . . . . . . . 4084 1 847 . 1 1 85 85 GLU HA H 1 5.12 . . 1 . . . . . . . . 4084 1 848 . 1 1 85 85 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4084 1 849 . 1 1 85 85 GLU HB3 H 1 1.82 . . 2 . . . . . . . . 4084 1 850 . 1 1 85 85 GLU HG2 H 1 2.19 . . 1 . . . . . . . . 4084 1 851 . 1 1 85 85 GLU HG3 H 1 2.15 . . 2 . . . . . . . . 4084 1 852 . 1 1 85 85 GLU CA C 13 53.0 . . 1 . . . . . . . . 4084 1 853 . 1 1 85 85 GLU CB C 13 31.4 . . 1 . . . . . . . . 4084 1 854 . 1 1 85 85 GLU CG C 13 35.7 . . 1 . . . . . . . . 4084 1 855 . 1 1 85 85 GLU N N 15 120.9 . . 1 . . . . . . . . 4084 1 856 . 1 1 86 86 PRO HA H 1 5.34 . . 1 . . . . . . . . 4084 1 857 . 1 1 86 86 PRO HB2 H 1 2.07 . . 2 . . . . . . . . 4084 1 858 . 1 1 86 86 PRO HB3 H 1 1.86 . . 2 . . . . . . . . 4084 1 859 . 1 1 86 86 PRO HG2 H 1 2.18 . . 2 . . . . . . . . 4084 1 860 . 1 1 86 86 PRO HG3 H 1 1.69 . . 2 . . . . . . . . 4084 1 861 . 1 1 86 86 PRO HD2 H 1 4.03 . . 2 . . . . . . . . 4084 1 862 . 1 1 86 86 PRO HD3 H 1 3.98 . . 2 . . . . . . . . 4084 1 863 . 1 1 86 86 PRO CA C 13 61.6 . . 1 . . . . . . . . 4084 1 864 . 1 1 86 86 PRO CB C 13 32.8 . . 1 . . . . . . . . 4084 1 865 . 1 1 86 86 PRO CD C 13 51.0 . . 1 . . . . . . . . 4084 1 866 . 1 1 87 87 LYS H H 1 9.40 . . 1 . . . . . . . . 4084 1 867 . 1 1 87 87 LYS HA H 1 4.70 . . 1 . . . . . . . . 4084 1 868 . 1 1 87 87 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 4084 1 869 . 1 1 87 87 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 4084 1 870 . 1 1 87 87 LYS HG2 H 1 1.52 . . 1 . . . . . . . . 4084 1 871 . 1 1 87 87 LYS HG3 H 1 1.52 . . 1 . . . . . . . . 4084 1 872 . 1 1 87 87 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 4084 1 873 . 1 1 87 87 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 4084 1 874 . 1 1 87 87 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 4084 1 875 . 1 1 87 87 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 4084 1 876 . 1 1 87 87 LYS CA C 13 55.0 . . 1 . . . . . . . . 4084 1 877 . 1 1 87 87 LYS CB C 13 36.7 . . 1 . . . . . . . . 4084 1 878 . 1 1 87 87 LYS CG C 13 24.6 . . 1 . . . . . . . . 4084 1 879 . 1 1 87 87 LYS CD C 13 29.3 . . 1 . . . . . . . . 4084 1 880 . 1 1 87 87 LYS CE C 13 42.0 . . 1 . . . . . . . . 4084 1 881 . 1 1 87 87 LYS N N 15 120.8 . . 1 . . . . . . . . 4084 1 882 . 1 1 88 88 ARG H H 1 8.88 . . 1 . . . . . . . . 4084 1 883 . 1 1 88 88 ARG HA H 1 4.39 . . 1 . . . . . . . . 4084 1 884 . 1 1 88 88 ARG HB2 H 1 2.04 . . 2 . . . . . . . . 4084 1 885 . 1 1 88 88 ARG HB3 H 1 1.69 . . 2 . . . . . . . . 4084 1 886 . 1 1 88 88 ARG HG2 H 1 1.59 . . 1 . . . . . . . . 4084 1 887 . 1 1 88 88 ARG HG3 H 1 1.59 . . 1 . . . . . . . . 4084 1 888 . 1 1 88 88 ARG HD2 H 1 3.31 . . 2 . . . . . . . . 4084 1 889 . 1 1 88 88 ARG HD3 H 1 3.18 . . 2 . . . . . . . . 4084 1 890 . 1 1 88 88 ARG CA C 13 57.3 . . 1 . . . . . . . . 4084 1 891 . 1 1 88 88 ARG CB C 13 30.3 . . 1 . . . . . . . . 4084 1 892 . 1 1 88 88 ARG CG C 13 27.1 . . 1 . . . . . . . . 4084 1 893 . 1 1 88 88 ARG CD C 13 43.3 . . 1 . . . . . . . . 4084 1 894 . 1 1 88 88 ARG N N 15 122.6 . . 1 . . . . . . . . 4084 1 895 . 1 1 89 89 ALA H H 1 8.46 . . 1 . . . . . . . . 4084 1 896 . 1 1 89 89 ALA HA H 1 4.30 . . 1 . . . . . . . . 4084 1 897 . 1 1 89 89 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4084 1 898 . 1 1 89 89 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4084 1 899 . 1 1 89 89 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4084 1 900 . 1 1 89 89 ALA CA C 13 53.7 . . 1 . . . . . . . . 4084 1 901 . 1 1 89 89 ALA CB C 13 18.9 . . 1 . . . . . . . . 4084 1 902 . 1 1 89 89 ALA N N 15 126.0 . . 1 . . . . . . . . 4084 1 903 . 1 1 90 90 VAL H H 1 7.94 . . 1 . . . . . . . . 4084 1 904 . 1 1 90 90 VAL HA H 1 4.21 . . 1 . . . . . . . . 4084 1 905 . 1 1 90 90 VAL HB H 1 2.06 . . 1 . . . . . . . . 4084 1 906 . 1 1 90 90 VAL HG11 H 1 0.89 . . 1 . . . . . . . . 4084 1 907 . 1 1 90 90 VAL HG12 H 1 0.89 . . 1 . . . . . . . . 4084 1 908 . 1 1 90 90 VAL HG13 H 1 0.89 . . 1 . . . . . . . . 4084 1 909 . 1 1 90 90 VAL HG21 H 1 0.89 . . 1 . . . . . . . . 4084 1 910 . 1 1 90 90 VAL HG22 H 1 0.89 . . 1 . . . . . . . . 4084 1 911 . 1 1 90 90 VAL HG23 H 1 0.89 . . 1 . . . . . . . . 4084 1 912 . 1 1 90 90 VAL CA C 13 61.6 . . 1 . . . . . . . . 4084 1 913 . 1 1 90 90 VAL CB C 13 33.3 . . 1 . . . . . . . . 4084 1 914 . 1 1 90 90 VAL CG1 C 13 21.1 . . 1 . . . . . . . . 4084 1 915 . 1 1 90 90 VAL CG2 C 13 20.2 . . 1 . . . . . . . . 4084 1 916 . 1 1 90 90 VAL N N 15 115.4 . . 1 . . . . . . . . 4084 1 917 . 1 1 91 91 SER H H 1 8.23 . . 1 . . . . . . . . 4084 1 918 . 1 1 91 91 SER HA H 1 4.46 . . 1 . . . . . . . . 4084 1 919 . 1 1 91 91 SER HB2 H 1 3.85 . . 1 . . . . . . . . 4084 1 920 . 1 1 91 91 SER HB3 H 1 3.85 . . 1 . . . . . . . . 4084 1 921 . 1 1 91 91 SER CA C 13 58.2 . . 1 . . . . . . . . 4084 1 922 . 1 1 91 91 SER CB C 13 64.0 . . 1 . . . . . . . . 4084 1 923 . 1 1 91 91 SER N N 15 118.6 . . 1 . . . . . . . . 4084 1 924 . 1 1 92 92 ARG H H 1 8.36 . . 1 . . . . . . . . 4084 1 925 . 1 1 92 92 ARG HA H 1 4.33 . . 1 . . . . . . . . 4084 1 926 . 1 1 92 92 ARG HB2 H 1 1.87 . . 2 . . . . . . . . 4084 1 927 . 1 1 92 92 ARG HB3 H 1 1.71 . . 2 . . . . . . . . 4084 1 928 . 1 1 92 92 ARG HG2 H 1 1.59 . . 1 . . . . . . . . 4084 1 929 . 1 1 92 92 ARG HG3 H 1 1.59 . . 1 . . . . . . . . 4084 1 930 . 1 1 92 92 ARG HD2 H 1 3.10 . . 1 . . . . . . . . 4084 1 931 . 1 1 92 92 ARG HD3 H 1 3.10 . . 1 . . . . . . . . 4084 1 932 . 1 1 92 92 ARG CA C 13 56.2 . . 1 . . . . . . . . 4084 1 933 . 1 1 92 92 ARG CB C 13 31.0 . . 1 . . . . . . . . 4084 1 934 . 1 1 92 92 ARG CG C 13 26.9 . . 1 . . . . . . . . 4084 1 935 . 1 1 92 92 ARG CD C 13 43.2 . . 1 . . . . . . . . 4084 1 936 . 1 1 92 92 ARG N N 15 123.3 . . 1 . . . . . . . . 4084 1 937 . 1 1 93 93 GLU H H 1 8.00 . . 1 . . . . . . . . 4084 1 938 . 1 1 93 93 GLU HA H 1 4.11 . . 1 . . . . . . . . 4084 1 939 . 1 1 93 93 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4084 1 940 . 1 1 93 93 GLU HB3 H 1 1.86 . . 2 . . . . . . . . 4084 1 941 . 1 1 93 93 GLU CA C 13 58.0 . . 1 . . . . . . . . 4084 1 942 . 1 1 93 93 GLU CB C 13 31.1 . . 1 . . . . . . . . 4084 1 943 . 1 1 93 93 GLU N N 15 127.0 . . 1 . . . . . . . . 4084 1 stop_ save_