data_4085 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4085 _Entry.Title ; Resonance Assignments and Solution Structure of the Second RNA-Binding Domain of Sex-lethal Determined by Multidimensional Heteronuclear Magnetic Resonance ; _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 Andrew Lee . L. . 4085 2 Roland Kanaar . . . 4085 3 Donald Rio . C. . 4085 4 David Wemmer . E. . 4085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 4085 '15N chemical shifts' 99 4085 '1H chemical shifts' 608 4085 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 . . 2001-02-16 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4085 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4085 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7524663 _Citation.Full_citation ; Lee, A. L., Kannar, R., Rio, D. C., and Wemmer, D. E., "Resonance Assignments and Solution Structure of the Second RNA-Binding Domain of Sex-lethal Determined by Multidimensional Heteronuclear Magnetic Resonance," Biochemistry 33, 13775-13786 (1994). ; _Citation.Title ; Resonance Assignments and Solution Structure of the Second RNA-Binding Domain of Sex-lethal Determined by Multidimensional Heteronuclear Magnetic Resonance ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 46 _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 13775 _Citation.Page_last 13786 _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 Andrew Lee . L. . 4085 1 2 Roland Kanaar . . . 4085 1 3 Donald Rio . C. . 4085 1 4 David Wemmer . E. . 4085 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Drosophila melanogaster' 4085 1 NMR 4085 1 'Nuclear Magnetic Resonance' 4085 1 'Sex-lethal protein (Sxl)' 4085 1 'Sxl RNA binding domain 2 (Sxl-RBD2)' 4085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Sxl-RBD2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Sxl-RBD2 _Assembly.Entry_ID 4085 _Assembly.ID 1 _Assembly.Name 'Sex-lethal protein RNA binding domain 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 'not present' _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 4085 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 Sxl-RBD2 1 $Sxl-RBD2 . . . native . . . . . 4085 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Sex-lethal protein RNA binding domain 2' system 4085 1 Sxl-RBD2 abbreviation 4085 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'regulates sexual differentiation in Drosophila' 4085 1 Sxl-RBD2 4085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sxl-RBD2 _Entity.Sf_category entity _Entity.Sf_framecode Sxl-RBD2 _Entity.Entry_ID 4085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sex-lethal protein RNA binding domain 2' _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 ; MSYARPGGESIKDTNLYVTN LPRTITDDQLDTIFGKYGSI VQKNILRDKLTGRPRGVAFV RYNKREEAQEAISALNNVIP EGGSQPLSVRLAEEHGK ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1SXL . "Resonance Assignments And Solution Structure Of The Second Rna-Binding Domain Of Sex-Lethal Determined By Multidimensional Hete" . . . . . 100.00 97 100.00 100.00 2.41e-63 . . . . 4085 1 2 no GB AAS15801 . "sex lethal, partial [Drosophila melanogaster]" . . . . . 60.82 59 98.31 100.00 5.59e-33 . . . . 4085 1 3 no GB AAS15802 . "sex lethal, partial [Drosophila melanogaster]" . . . . . 60.82 59 98.31 100.00 5.59e-33 . . . . 4085 1 4 no GB AAS15803 . "sex lethal, partial [Drosophila melanogaster]" . . . . . 60.82 59 98.31 100.00 5.59e-33 . . . . 4085 1 5 no GB AAS15804 . "sex lethal, partial [Drosophila melanogaster]" . . . . . 60.82 59 98.31 100.00 5.59e-33 . . . . 4085 1 6 no GB AAS15805 . "sex lethal, partial [Drosophila melanogaster]" . . . . . 60.82 59 98.31 100.00 5.59e-33 . . . . 4085 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RNP-2 variant 4085 1 'Sex-lethal protein RNA binding domain 2' common 4085 1 Sxl-RBD2 abbreviation 4085 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 . 4085 1 2 2 SER . 4085 1 3 3 TYR . 4085 1 4 4 ALA . 4085 1 5 5 ARG . 4085 1 6 6 PRO . 4085 1 7 7 GLY . 4085 1 8 8 GLY . 4085 1 9 9 GLU . 4085 1 10 10 SER . 4085 1 11 11 ILE . 4085 1 12 12 LYS . 4085 1 13 13 ASP . 4085 1 14 14 THR . 4085 1 15 15 ASN . 4085 1 16 16 LEU . 4085 1 17 17 TYR . 4085 1 18 18 VAL . 4085 1 19 19 THR . 4085 1 20 20 ASN . 4085 1 21 21 LEU . 4085 1 22 22 PRO . 4085 1 23 23 ARG . 4085 1 24 24 THR . 4085 1 25 25 ILE . 4085 1 26 26 THR . 4085 1 27 27 ASP . 4085 1 28 28 ASP . 4085 1 29 29 GLN . 4085 1 30 30 LEU . 4085 1 31 31 ASP . 4085 1 32 32 THR . 4085 1 33 33 ILE . 4085 1 34 34 PHE . 4085 1 35 35 GLY . 4085 1 36 36 LYS . 4085 1 37 37 TYR . 4085 1 38 38 GLY . 4085 1 39 39 SER . 4085 1 40 40 ILE . 4085 1 41 41 VAL . 4085 1 42 42 GLN . 4085 1 43 43 LYS . 4085 1 44 44 ASN . 4085 1 45 45 ILE . 4085 1 46 46 LEU . 4085 1 47 47 ARG . 4085 1 48 48 ASP . 4085 1 49 49 LYS . 4085 1 50 50 LEU . 4085 1 51 51 THR . 4085 1 52 52 GLY . 4085 1 53 53 ARG . 4085 1 54 54 PRO . 4085 1 55 55 ARG . 4085 1 56 56 GLY . 4085 1 57 57 VAL . 4085 1 58 58 ALA . 4085 1 59 59 PHE . 4085 1 60 60 VAL . 4085 1 61 61 ARG . 4085 1 62 62 TYR . 4085 1 63 63 ASN . 4085 1 64 64 LYS . 4085 1 65 65 ARG . 4085 1 66 66 GLU . 4085 1 67 67 GLU . 4085 1 68 68 ALA . 4085 1 69 69 GLN . 4085 1 70 70 GLU . 4085 1 71 71 ALA . 4085 1 72 72 ILE . 4085 1 73 73 SER . 4085 1 74 74 ALA . 4085 1 75 75 LEU . 4085 1 76 76 ASN . 4085 1 77 77 ASN . 4085 1 78 78 VAL . 4085 1 79 79 ILE . 4085 1 80 80 PRO . 4085 1 81 81 GLU . 4085 1 82 82 GLY . 4085 1 83 83 GLY . 4085 1 84 84 SER . 4085 1 85 85 GLN . 4085 1 86 86 PRO . 4085 1 87 87 LEU . 4085 1 88 88 SER . 4085 1 89 89 VAL . 4085 1 90 90 ARG . 4085 1 91 91 LEU . 4085 1 92 92 ALA . 4085 1 93 93 GLU . 4085 1 94 94 GLU . 4085 1 95 95 HIS . 4085 1 96 96 GLY . 4085 1 97 97 LYS . 4085 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 4085 1 . SER 2 2 4085 1 . TYR 3 3 4085 1 . ALA 4 4 4085 1 . ARG 5 5 4085 1 . PRO 6 6 4085 1 . GLY 7 7 4085 1 . GLY 8 8 4085 1 . GLU 9 9 4085 1 . SER 10 10 4085 1 . ILE 11 11 4085 1 . LYS 12 12 4085 1 . ASP 13 13 4085 1 . THR 14 14 4085 1 . ASN 15 15 4085 1 . LEU 16 16 4085 1 . TYR 17 17 4085 1 . VAL 18 18 4085 1 . THR 19 19 4085 1 . ASN 20 20 4085 1 . LEU 21 21 4085 1 . PRO 22 22 4085 1 . ARG 23 23 4085 1 . THR 24 24 4085 1 . ILE 25 25 4085 1 . THR 26 26 4085 1 . ASP 27 27 4085 1 . ASP 28 28 4085 1 . GLN 29 29 4085 1 . LEU 30 30 4085 1 . ASP 31 31 4085 1 . THR 32 32 4085 1 . ILE 33 33 4085 1 . PHE 34 34 4085 1 . GLY 35 35 4085 1 . LYS 36 36 4085 1 . TYR 37 37 4085 1 . GLY 38 38 4085 1 . SER 39 39 4085 1 . ILE 40 40 4085 1 . VAL 41 41 4085 1 . GLN 42 42 4085 1 . LYS 43 43 4085 1 . ASN 44 44 4085 1 . ILE 45 45 4085 1 . LEU 46 46 4085 1 . ARG 47 47 4085 1 . ASP 48 48 4085 1 . LYS 49 49 4085 1 . LEU 50 50 4085 1 . THR 51 51 4085 1 . GLY 52 52 4085 1 . ARG 53 53 4085 1 . PRO 54 54 4085 1 . ARG 55 55 4085 1 . GLY 56 56 4085 1 . VAL 57 57 4085 1 . ALA 58 58 4085 1 . PHE 59 59 4085 1 . VAL 60 60 4085 1 . ARG 61 61 4085 1 . TYR 62 62 4085 1 . ASN 63 63 4085 1 . LYS 64 64 4085 1 . ARG 65 65 4085 1 . GLU 66 66 4085 1 . GLU 67 67 4085 1 . ALA 68 68 4085 1 . GLN 69 69 4085 1 . GLU 70 70 4085 1 . ALA 71 71 4085 1 . ILE 72 72 4085 1 . SER 73 73 4085 1 . ALA 74 74 4085 1 . LEU 75 75 4085 1 . ASN 76 76 4085 1 . ASN 77 77 4085 1 . VAL 78 78 4085 1 . ILE 79 79 4085 1 . PRO 80 80 4085 1 . GLU 81 81 4085 1 . GLY 82 82 4085 1 . GLY 83 83 4085 1 . SER 84 84 4085 1 . GLN 85 85 4085 1 . PRO 86 86 4085 1 . LEU 87 87 4085 1 . SER 88 88 4085 1 . VAL 89 89 4085 1 . ARG 90 90 4085 1 . LEU 91 91 4085 1 . ALA 92 92 4085 1 . GLU 93 93 4085 1 . GLU 94 94 4085 1 . HIS 95 95 4085 1 . GLY 96 96 4085 1 . LYS 97 97 4085 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 4085 _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 $Sxl-RBD2 . 7227 . . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4085 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 4085 _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 $Sxl-RBD2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21-(DE3)pLysS . . . . . . . . . . . . plasmid . . pAR-Sxl-RNAP-2 . . . . . . 4085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4085 _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 'Sex-lethal protein RNA binding domain 2' [U-15N] . . 1 $Sxl-RBD2 . . . 1.5 2.0 mM . . . . 4085 1 2 NaCL . . . . . . . 25 . . mM . . . . 4085 1 3 d4-acetic_acid . . . . . . . 25 . . mM . . . . 4085 1 4 NaN3 . . . . . . . 0.01 . . % . . . . 4085 1 5 D20 . . . . . . . 99.996 . . % . . . . 4085 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4085 _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 'Sex-lethal protein RNA binding domain 2' [U-15N] . . 1 $Sxl-RBD2 . . . 1.5 2.0 mM . . . . 4085 2 2 NaCL . . . . . . . 25 . . mM . . . . 4085 2 3 d4-acetic_acid . . . . . . . 25 . . mM . . . . 4085 2 4 NaN3 . . . . . . . 0.01 . . % . . . . 4085 2 5 H20 . . . . . . . 10 . . % . . . . 4085 2 6 D20 . . . . . . . 90 . . % . . . . 4085 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4085 _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 'Sex-lethal protein RNA binding domain 2' '[U-13C; U-15N]' . . 1 $Sxl-RBD2 . . . 1.5 2.0 mM . . . . 4085 3 2 NaCL . . . . . . . 25 . . mM . . . . 4085 3 3 d4-acetic_acid . . . . . . . 25 . . mM . . . . 4085 3 4 NaN3 . . . . . . . 0.01 . . % . . . . 4085 3 5 D20 . . . . . . . 99.996 . . % . . . . 4085 3 stop_ save_ save_sample_four _Sample.Sf_category sample _Sample.Sf_framecode sample_four _Sample.Entry_ID 4085 _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 'Sex-lethal protein RNA binding domain 2' '[U-13C; U-15N]' . . 1 $Sxl-RBD2 . . . 1.5 2.0 mM . . . . 4085 4 2 NaCL . . . . . . . 25 . . mM . . . . 4085 4 3 d4-acetic_acid . . . . . . . 25 . . mM . . . . 4085 4 4 NaN3 . . . . . . . 0.01 . . % . . . . 4085 4 5 H20 . . . . . . . 10 . . % . . . . 4085 4 6 D20 . . . . . . . 90 . . % . . . . 4085 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 4085 _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 5.0 . n/a 4085 1 temperature 298 . K 4085 1 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 4085 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 4085 _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 AMX . 600 . . . 4085 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 4085 _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 4085 _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 carbons' . . . . ppm 0.00 . . . . . . . . . . . . 4085 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 . . . . . . . . . . . . 4085 1 N 15 'liquid NH3' nitrogen . . . . ppm 0.00 . . . . . . . . . . . . 4085 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 4085 _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 . . 4 $sample_four . 4085 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 4 4 ALA H H 1 8.09 . . 1 . . . . . . . . 4085 1 2 . 1 1 4 4 ALA HA H 1 4.29 . . 1 . . . . . . . . 4085 1 3 . 1 1 4 4 ALA HB1 H 1 1.30 . . 1 . . . . . . . . 4085 1 4 . 1 1 4 4 ALA HB2 H 1 1.30 . . 1 . . . . . . . . 4085 1 5 . 1 1 4 4 ALA HB3 H 1 1.30 . . 1 . . . . . . . . 4085 1 6 . 1 1 4 4 ALA CA C 13 51.8 . . 1 . . . . . . . . 4085 1 7 . 1 1 4 4 ALA CB C 13 19.4 . . 1 . . . . . . . . 4085 1 8 . 1 1 4 4 ALA N N 15 125.6 . . 1 . . . . . . . . 4085 1 9 . 1 1 5 5 ARG H H 1 8.22 . . 1 . . . . . . . . 4085 1 10 . 1 1 5 5 ARG N N 15 126.6 . . 1 . . . . . . . . 4085 1 11 . 1 1 6 6 PRO HA H 1 4.45 . . 1 . . . . . . . . 4085 1 12 . 1 1 6 6 PRO HD2 H 1 3.67 . . 2 . . . . . . . . 4085 1 13 . 1 1 6 6 PRO HD3 H 1 3.84 . . 2 . . . . . . . . 4085 1 14 . 1 1 6 6 PRO CD C 13 50.7 . . 1 . . . . . . . . 4085 1 15 . 1 1 7 7 GLY H H 1 8.63 . . 1 . . . . . . . . 4085 1 16 . 1 1 7 7 GLY N N 15 109.9 . . 1 . . . . . . . . 4085 1 17 . 1 1 8 8 GLY H H 1 8.32 . . 1 . . . . . . . . 4085 1 18 . 1 1 8 8 GLY N N 15 108.6 . . 1 . . . . . . . . 4085 1 19 . 1 1 9 9 GLU H H 1 8.50 . . 1 . . . . . . . . 4085 1 20 . 1 1 9 9 GLU HA H 1 4.34 . . 1 . . . . . . . . 4085 1 21 . 1 1 9 9 GLU HB2 H 1 1.97 . . 2 . . . . . . . . 4085 1 22 . 1 1 9 9 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 4085 1 23 . 1 1 9 9 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 4085 1 24 . 1 1 9 9 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 4085 1 25 . 1 1 9 9 GLU CA C 13 56.5 . . 1 . . . . . . . . 4085 1 26 . 1 1 9 9 GLU CG C 13 35.9 . . 1 . . . . . . . . 4085 1 27 . 1 1 9 9 GLU N N 15 120.4 . . 1 . . . . . . . . 4085 1 28 . 1 1 10 10 SER H H 1 8.48 . . 1 . . . . . . . . 4085 1 29 . 1 1 10 10 SER HA H 1 4.48 . . 1 . . . . . . . . 4085 1 30 . 1 1 10 10 SER HB2 H 1 3.90 . . 2 . . . . . . . . 4085 1 31 . 1 1 10 10 SER HB3 H 1 3.95 . . 2 . . . . . . . . 4085 1 32 . 1 1 10 10 SER CA C 13 58.3 . . 1 . . . . . . . . 4085 1 33 . 1 1 10 10 SER CB C 13 63.6 . . 1 . . . . . . . . 4085 1 34 . 1 1 10 10 SER N N 15 116.2 . . 1 . . . . . . . . 4085 1 35 . 1 1 11 11 ILE H H 1 8.29 . . 1 . . . . . . . . 4085 1 36 . 1 1 11 11 ILE HA H 1 4.20 . . 1 . . . . . . . . 4085 1 37 . 1 1 11 11 ILE HB H 1 1.94 . . 1 . . . . . . . . 4085 1 38 . 1 1 11 11 ILE HG12 H 1 1.20 . . 2 . . . . . . . . 4085 1 39 . 1 1 11 11 ILE HG13 H 1 1.45 . . 2 . . . . . . . . 4085 1 40 . 1 1 11 11 ILE HG21 H 1 0.94 . . 1 . . . . . . . . 4085 1 41 . 1 1 11 11 ILE HG22 H 1 0.94 . . 1 . . . . . . . . 4085 1 42 . 1 1 11 11 ILE HG23 H 1 0.94 . . 1 . . . . . . . . 4085 1 43 . 1 1 11 11 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4085 1 44 . 1 1 11 11 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4085 1 45 . 1 1 11 11 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4085 1 46 . 1 1 11 11 ILE CA C 13 63.0 . . 1 . . . . . . . . 4085 1 47 . 1 1 11 11 ILE CB C 13 38.2 . . 1 . . . . . . . . 4085 1 48 . 1 1 11 11 ILE CG1 C 13 27.6 . . 1 . . . . . . . . 4085 1 49 . 1 1 11 11 ILE CG2 C 13 17.4 . . 1 . . . . . . . . 4085 1 50 . 1 1 11 11 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4085 1 51 . 1 1 11 11 ILE N N 15 122.6 . . 1 . . . . . . . . 4085 1 52 . 1 1 12 12 LYS H H 1 8.18 . . 1 . . . . . . . . 4085 1 53 . 1 1 12 12 LYS HA H 1 4.28 . . 1 . . . . . . . . 4085 1 54 . 1 1 12 12 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 4085 1 55 . 1 1 12 12 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 4085 1 56 . 1 1 12 12 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4085 1 57 . 1 1 12 12 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 4085 1 58 . 1 1 12 12 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 4085 1 59 . 1 1 12 12 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 4085 1 60 . 1 1 12 12 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4085 1 61 . 1 1 12 12 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4085 1 62 . 1 1 12 12 LYS CA C 13 57.4 . . 1 . . . . . . . . 4085 1 63 . 1 1 12 12 LYS CB C 13 32.8 . . 1 . . . . . . . . 4085 1 64 . 1 1 12 12 LYS CG C 13 24.8 . . 1 . . . . . . . . 4085 1 65 . 1 1 12 12 LYS CD C 13 29.1 . . 1 . . . . . . . . 4085 1 66 . 1 1 12 12 LYS CE C 13 41.9 . . 1 . . . . . . . . 4085 1 67 . 1 1 12 12 LYS N N 15 123.7 . . 1 . . . . . . . . 4085 1 68 . 1 1 13 13 ASP H H 1 8.29 . . 1 . . . . . . . . 4085 1 69 . 1 1 13 13 ASP HA H 1 4.75 . . 1 . . . . . . . . 4085 1 70 . 1 1 13 13 ASP HB2 H 1 2.88 . . 1 . . . . . . . . 4085 1 71 . 1 1 13 13 ASP HB3 H 1 2.88 . . 1 . . . . . . . . 4085 1 72 . 1 1 13 13 ASP CA C 13 55.1 . . 1 . . . . . . . . 4085 1 73 . 1 1 13 13 ASP N N 15 116.8 . . 1 . . . . . . . . 4085 1 74 . 1 1 14 14 THR H H 1 7.61 . . 1 . . . . . . . . 4085 1 75 . 1 1 14 14 THR HA H 1 4.40 . . 1 . . . . . . . . 4085 1 76 . 1 1 14 14 THR HB H 1 4.75 . . 1 . . . . . . . . 4085 1 77 . 1 1 14 14 THR HG21 H 1 0.87 . . 1 . . . . . . . . 4085 1 78 . 1 1 14 14 THR HG22 H 1 0.87 . . 1 . . . . . . . . 4085 1 79 . 1 1 14 14 THR HG23 H 1 0.87 . . 1 . . . . . . . . 4085 1 80 . 1 1 14 14 THR CA C 13 61.2 . . 1 . . . . . . . . 4085 1 81 . 1 1 14 14 THR N N 15 103.7 . . 1 . . . . . . . . 4085 1 82 . 1 1 15 15 ASN H H 1 7.98 . . 1 . . . . . . . . 4085 1 83 . 1 1 15 15 ASN HA H 1 5.36 . . 1 . . . . . . . . 4085 1 84 . 1 1 15 15 ASN HB2 H 1 2.54 . . 2 . . . . . . . . 4085 1 85 . 1 1 15 15 ASN HB3 H 1 3.12 . . 2 . . . . . . . . 4085 1 86 . 1 1 15 15 ASN HD21 H 1 6.00 . . 2 . . . . . . . . 4085 1 87 . 1 1 15 15 ASN HD22 H 1 7.43 . . 2 . . . . . . . . 4085 1 88 . 1 1 15 15 ASN CA C 13 52.2 . . 1 . . . . . . . . 4085 1 89 . 1 1 15 15 ASN CB C 13 41.0 . . 1 . . . . . . . . 4085 1 90 . 1 1 15 15 ASN N N 15 120.7 . . 1 . . . . . . . . 4085 1 91 . 1 1 15 15 ASN ND2 N 15 109.2 . . 1 . . . . . . . . 4085 1 92 . 1 1 16 16 LEU H H 1 9.64 . . 1 . . . . . . . . 4085 1 93 . 1 1 16 16 LEU HA H 1 5.06 . . 1 . . . . . . . . 4085 1 94 . 1 1 16 16 LEU HB2 H 1 1.17 . . 2 . . . . . . . . 4085 1 95 . 1 1 16 16 LEU HB3 H 1 2.07 . . 2 . . . . . . . . 4085 1 96 . 1 1 16 16 LEU HG H 1 1.96 . . 1 . . . . . . . . 4085 1 97 . 1 1 16 16 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 4085 1 98 . 1 1 16 16 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 4085 1 99 . 1 1 16 16 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 4085 1 100 . 1 1 16 16 LEU HD21 H 1 1.11 . . 2 . . . . . . . . 4085 1 101 . 1 1 16 16 LEU HD22 H 1 1.11 . . 2 . . . . . . . . 4085 1 102 . 1 1 16 16 LEU HD23 H 1 1.11 . . 2 . . . . . . . . 4085 1 103 . 1 1 16 16 LEU CA C 13 53.7 . . 1 . . . . . . . . 4085 1 104 . 1 1 16 16 LEU CB C 13 44.1 . . 1 . . . . . . . . 4085 1 105 . 1 1 16 16 LEU CG C 13 27.0 . . 1 . . . . . . . . 4085 1 106 . 1 1 16 16 LEU CD1 C 13 24.8 . . 2 . . . . . . . . 4085 1 107 . 1 1 16 16 LEU CD2 C 13 27.3 . . 2 . . . . . . . . 4085 1 108 . 1 1 16 16 LEU N N 15 127.1 . . 1 . . . . . . . . 4085 1 109 . 1 1 17 17 TYR H H 1 9.31 . . 1 . . . . . . . . 4085 1 110 . 1 1 17 17 TYR HA H 1 4.79 . . 1 . . . . . . . . 4085 1 111 . 1 1 17 17 TYR HB2 H 1 2.63 . . 2 . . . . . . . . 4085 1 112 . 1 1 17 17 TYR HB3 H 1 2.71 . . 2 . . . . . . . . 4085 1 113 . 1 1 17 17 TYR HD1 H 1 6.34 . . 1 . . . . . . . . 4085 1 114 . 1 1 17 17 TYR HD2 H 1 6.34 . . 1 . . . . . . . . 4085 1 115 . 1 1 17 17 TYR HE1 H 1 6.37 . . 1 . . . . . . . . 4085 1 116 . 1 1 17 17 TYR HE2 H 1 6.37 . . 1 . . . . . . . . 4085 1 117 . 1 1 17 17 TYR CA C 13 55.9 . . 1 . . . . . . . . 4085 1 118 . 1 1 17 17 TYR CB C 13 40.8 . . 1 . . . . . . . . 4085 1 119 . 1 1 17 17 TYR CD1 C 13 132.6 . . 1 . . . . . . . . 4085 1 120 . 1 1 17 17 TYR CD2 C 13 132.6 . . 1 . . . . . . . . 4085 1 121 . 1 1 17 17 TYR CE1 C 13 117.7 . . 1 . . . . . . . . 4085 1 122 . 1 1 17 17 TYR CE2 C 13 117.7 . . 1 . . . . . . . . 4085 1 123 . 1 1 17 17 TYR N N 15 122.1 . . 1 . . . . . . . . 4085 1 124 . 1 1 18 18 VAL H H 1 8.75 . . 1 . . . . . . . . 4085 1 125 . 1 1 18 18 VAL HA H 1 5.05 . . 1 . . . . . . . . 4085 1 126 . 1 1 18 18 VAL HB H 1 1.81 . . 1 . . . . . . . . 4085 1 127 . 1 1 18 18 VAL HG11 H 1 0.77 . . 2 . . . . . . . . 4085 1 128 . 1 1 18 18 VAL HG12 H 1 0.77 . . 2 . . . . . . . . 4085 1 129 . 1 1 18 18 VAL HG13 H 1 0.77 . . 2 . . . . . . . . 4085 1 130 . 1 1 18 18 VAL HG21 H 1 1.06 . . 2 . . . . . . . . 4085 1 131 . 1 1 18 18 VAL HG22 H 1 1.06 . . 2 . . . . . . . . 4085 1 132 . 1 1 18 18 VAL HG23 H 1 1.06 . . 2 . . . . . . . . 4085 1 133 . 1 1 18 18 VAL CA C 13 60.0 . . 1 . . . . . . . . 4085 1 134 . 1 1 18 18 VAL CB C 13 34.3 . . 1 . . . . . . . . 4085 1 135 . 1 1 18 18 VAL CG1 C 13 21.2 . . 2 . . . . . . . . 4085 1 136 . 1 1 18 18 VAL CG2 C 13 22.1 . . 2 . . . . . . . . 4085 1 137 . 1 1 18 18 VAL N N 15 129.8 . . 1 . . . . . . . . 4085 1 138 . 1 1 19 19 THR H H 1 8.82 . . 1 . . . . . . . . 4085 1 139 . 1 1 19 19 THR HA H 1 5.04 . . 1 . . . . . . . . 4085 1 140 . 1 1 19 19 THR HB H 1 4.21 . . 1 . . . . . . . . 4085 1 141 . 1 1 19 19 THR HG21 H 1 0.79 . . 1 . . . . . . . . 4085 1 142 . 1 1 19 19 THR HG22 H 1 0.79 . . 1 . . . . . . . . 4085 1 143 . 1 1 19 19 THR HG23 H 1 0.79 . . 1 . . . . . . . . 4085 1 144 . 1 1 19 19 THR CA C 13 59.3 . . 1 . . . . . . . . 4085 1 145 . 1 1 19 19 THR CB C 13 71.5 . . 1 . . . . . . . . 4085 1 146 . 1 1 19 19 THR CG2 C 13 22.5 . . 1 . . . . . . . . 4085 1 147 . 1 1 19 19 THR N N 15 114.6 . . 1 . . . . . . . . 4085 1 148 . 1 1 20 20 ASN H H 1 8.33 . . 1 . . . . . . . . 4085 1 149 . 1 1 20 20 ASN HA H 1 4.32 . . 1 . . . . . . . . 4085 1 150 . 1 1 20 20 ASN HB2 H 1 3.17 . . 1 . . . . . . . . 4085 1 151 . 1 1 20 20 ASN HB3 H 1 3.17 . . 1 . . . . . . . . 4085 1 152 . 1 1 20 20 ASN CA C 13 53.6 . . 1 . . . . . . . . 4085 1 153 . 1 1 20 20 ASN CB C 13 37.1 . . 1 . . . . . . . . 4085 1 154 . 1 1 20 20 ASN N N 15 113.0 . . 1 . . . . . . . . 4085 1 155 . 1 1 21 21 LEU H H 1 8.22 . . 1 . . . . . . . . 4085 1 156 . 1 1 21 21 LEU HA H 1 4.14 . . 1 . . . . . . . . 4085 1 157 . 1 1 21 21 LEU HB2 H 1 1.18 . . 2 . . . . . . . . 4085 1 158 . 1 1 21 21 LEU HB3 H 1 1.23 . . 2 . . . . . . . . 4085 1 159 . 1 1 21 21 LEU HG H 1 1.46 . . 1 . . . . . . . . 4085 1 160 . 1 1 21 21 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 4085 1 161 . 1 1 21 21 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 4085 1 162 . 1 1 21 21 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 4085 1 163 . 1 1 21 21 LEU HD21 H 1 0.60 . . 2 . . . . . . . . 4085 1 164 . 1 1 21 21 LEU HD22 H 1 0.60 . . 2 . . . . . . . . 4085 1 165 . 1 1 21 21 LEU HD23 H 1 0.60 . . 2 . . . . . . . . 4085 1 166 . 1 1 21 21 LEU CA C 13 53.7 . . 1 . . . . . . . . 4085 1 167 . 1 1 21 21 LEU CB C 13 41.0 . . 1 . . . . . . . . 4085 1 168 . 1 1 21 21 LEU CG C 13 26.8 . . 1 . . . . . . . . 4085 1 169 . 1 1 21 21 LEU CD1 C 13 24.1 . . 2 . . . . . . . . 4085 1 170 . 1 1 21 21 LEU CD2 C 13 27.2 . . 2 . . . . . . . . 4085 1 171 . 1 1 21 21 LEU N N 15 117.3 . . 1 . . . . . . . . 4085 1 172 . 1 1 22 22 PRO HA H 1 4.54 . . 1 . . . . . . . . 4085 1 173 . 1 1 22 22 PRO HB2 H 1 1.91 . . 2 . . . . . . . . 4085 1 174 . 1 1 22 22 PRO HB3 H 1 2.44 . . 2 . . . . . . . . 4085 1 175 . 1 1 22 22 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 4085 1 176 . 1 1 22 22 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 4085 1 177 . 1 1 22 22 PRO HD2 H 1 3.40 . . 2 . . . . . . . . 4085 1 178 . 1 1 22 22 PRO HD3 H 1 3.82 . . 2 . . . . . . . . 4085 1 179 . 1 1 22 22 PRO CA C 13 62.5 . . 1 . . . . . . . . 4085 1 180 . 1 1 22 22 PRO CB C 13 32.2 . . 1 . . . . . . . . 4085 1 181 . 1 1 22 22 PRO CD C 13 49.4 . . 1 . . . . . . . . 4085 1 182 . 1 1 23 23 ARG H H 1 8.92 . . 1 . . . . . . . . 4085 1 183 . 1 1 23 23 ARG HA H 1 3.94 . . 1 . . . . . . . . 4085 1 184 . 1 1 23 23 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 4085 1 185 . 1 1 23 23 ARG HB3 H 1 2.08 . . 2 . . . . . . . . 4085 1 186 . 1 1 23 23 ARG HG2 H 1 1.60 . . 2 . . . . . . . . 4085 1 187 . 1 1 23 23 ARG HG3 H 1 1.82 . . 2 . . . . . . . . 4085 1 188 . 1 1 23 23 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4085 1 189 . 1 1 23 23 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4085 1 190 . 1 1 23 23 ARG HE H 1 7.28 . . 1 . . . . . . . . 4085 1 191 . 1 1 23 23 ARG CA C 13 57.8 . . 1 . . . . . . . . 4085 1 192 . 1 1 23 23 ARG CB C 13 28.9 . . 1 . . . . . . . . 4085 1 193 . 1 1 23 23 ARG CG C 13 27.9 . . 1 . . . . . . . . 4085 1 194 . 1 1 23 23 ARG CD C 13 42.8 . . 1 . . . . . . . . 4085 1 195 . 1 1 23 23 ARG N N 15 120.1 . . 1 . . . . . . . . 4085 1 196 . 1 1 23 23 ARG NE N 15 113.2 . . 1 . . . . . . . . 4085 1 197 . 1 1 24 24 THR H H 1 7.06 . . 1 . . . . . . . . 4085 1 198 . 1 1 24 24 THR HA H 1 4.27 . . 1 . . . . . . . . 4085 1 199 . 1 1 24 24 THR HB H 1 4.65 . . 1 . . . . . . . . 4085 1 200 . 1 1 24 24 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4085 1 201 . 1 1 24 24 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4085 1 202 . 1 1 24 24 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4085 1 203 . 1 1 24 24 THR CA C 13 60.1 . . 1 . . . . . . . . 4085 1 204 . 1 1 24 24 THR CB C 13 68.5 . . 1 . . . . . . . . 4085 1 205 . 1 1 24 24 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4085 1 206 . 1 1 24 24 THR N N 15 103.5 . . 1 . . . . . . . . 4085 1 207 . 1 1 25 25 ILE H H 1 7.22 . . 1 . . . . . . . . 4085 1 208 . 1 1 25 25 ILE HA H 1 4.35 . . 1 . . . . . . . . 4085 1 209 . 1 1 25 25 ILE HB H 1 2.06 . . 1 . . . . . . . . 4085 1 210 . 1 1 25 25 ILE HG12 H 1 1.28 . . 2 . . . . . . . . 4085 1 211 . 1 1 25 25 ILE HG13 H 1 1.68 . . 2 . . . . . . . . 4085 1 212 . 1 1 25 25 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4085 1 213 . 1 1 25 25 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4085 1 214 . 1 1 25 25 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4085 1 215 . 1 1 25 25 ILE HD11 H 1 0.97 . . 1 . . . . . . . . 4085 1 216 . 1 1 25 25 ILE HD12 H 1 0.97 . . 1 . . . . . . . . 4085 1 217 . 1 1 25 25 ILE HD13 H 1 0.97 . . 1 . . . . . . . . 4085 1 218 . 1 1 25 25 ILE CA C 13 59.1 . . 1 . . . . . . . . 4085 1 219 . 1 1 25 25 ILE CB C 13 39.2 . . 1 . . . . . . . . 4085 1 220 . 1 1 25 25 ILE CG1 C 13 28.5 . . 1 . . . . . . . . 4085 1 221 . 1 1 25 25 ILE CG2 C 13 16.6 . . 1 . . . . . . . . 4085 1 222 . 1 1 25 25 ILE CD1 C 13 14.8 . . 1 . . . . . . . . 4085 1 223 . 1 1 25 25 ILE N N 15 121.9 . . 1 . . . . . . . . 4085 1 224 . 1 1 26 26 THR H H 1 6.91 . . 1 . . . . . . . . 4085 1 225 . 1 1 26 26 THR HA H 1 4.71 . . 1 . . . . . . . . 4085 1 226 . 1 1 26 26 THR HB H 1 4.67 . . 1 . . . . . . . . 4085 1 227 . 1 1 26 26 THR HG21 H 1 1.35 . . 1 . . . . . . . . 4085 1 228 . 1 1 26 26 THR HG22 H 1 1.35 . . 1 . . . . . . . . 4085 1 229 . 1 1 26 26 THR HG23 H 1 1.35 . . 1 . . . . . . . . 4085 1 230 . 1 1 26 26 THR CA C 13 58.4 . . 1 . . . . . . . . 4085 1 231 . 1 1 26 26 THR CB C 13 73.1 . . 1 . . . . . . . . 4085 1 232 . 1 1 26 26 THR CG2 C 13 21.8 . . 1 . . . . . . . . 4085 1 233 . 1 1 26 26 THR N N 15 113.3 . . 1 . . . . . . . . 4085 1 234 . 1 1 27 27 ASP H H 1 8.95 . . 1 . . . . . . . . 4085 1 235 . 1 1 27 27 ASP HA H 1 4.17 . . 1 . . . . . . . . 4085 1 236 . 1 1 27 27 ASP HB2 H 1 2.64 . . 1 . . . . . . . . 4085 1 237 . 1 1 27 27 ASP HB3 H 1 2.64 . . 1 . . . . . . . . 4085 1 238 . 1 1 27 27 ASP CA C 13 58.5 . . 1 . . . . . . . . 4085 1 239 . 1 1 27 27 ASP CB C 13 40.6 . . 1 . . . . . . . . 4085 1 240 . 1 1 27 27 ASP N N 15 122.2 . . 1 . . . . . . . . 4085 1 241 . 1 1 28 28 ASP H H 1 8.37 . . 1 . . . . . . . . 4085 1 242 . 1 1 28 28 ASP HA H 1 4.45 . . 1 . . . . . . . . 4085 1 243 . 1 1 28 28 ASP HB2 H 1 2.60 . . 2 . . . . . . . . 4085 1 244 . 1 1 28 28 ASP HB3 H 1 2.70 . . 2 . . . . . . . . 4085 1 245 . 1 1 28 28 ASP CA C 13 57.0 . . 1 . . . . . . . . 4085 1 246 . 1 1 28 28 ASP CB C 13 40.4 . . 1 . . . . . . . . 4085 1 247 . 1 1 28 28 ASP N N 15 116.6 . . 1 . . . . . . . . 4085 1 248 . 1 1 29 29 GLN H H 1 7.77 . . 1 . . . . . . . . 4085 1 249 . 1 1 29 29 GLN HA H 1 4.18 . . 1 . . . . . . . . 4085 1 250 . 1 1 29 29 GLN HB2 H 1 2.06 . . 2 . . . . . . . . 4085 1 251 . 1 1 29 29 GLN HB3 H 1 2.23 . . 2 . . . . . . . . 4085 1 252 . 1 1 29 29 GLN HG2 H 1 2.41 . . 2 . . . . . . . . 4085 1 253 . 1 1 29 29 GLN HG3 H 1 2.52 . . 2 . . . . . . . . 4085 1 254 . 1 1 29 29 GLN HE21 H 1 6.62 . . 2 . . . . . . . . 4085 1 255 . 1 1 29 29 GLN HE22 H 1 7.45 . . 2 . . . . . . . . 4085 1 256 . 1 1 29 29 GLN CA C 13 58.4 . . 1 . . . . . . . . 4085 1 257 . 1 1 29 29 GLN CB C 13 29.0 . . 1 . . . . . . . . 4085 1 258 . 1 1 29 29 GLN CG C 13 33.8 . . 1 . . . . . . . . 4085 1 259 . 1 1 29 29 GLN N N 15 120.2 . . 1 . . . . . . . . 4085 1 260 . 1 1 29 29 GLN NE2 N 15 109.1 . . 1 . . . . . . . . 4085 1 261 . 1 1 30 30 LEU H H 1 8.31 . . 1 . . . . . . . . 4085 1 262 . 1 1 30 30 LEU HA H 1 4.22 . . 1 . . . . . . . . 4085 1 263 . 1 1 30 30 LEU HB2 H 1 1.57 . . 2 . . . . . . . . 4085 1 264 . 1 1 30 30 LEU HB3 H 1 1.97 . . 2 . . . . . . . . 4085 1 265 . 1 1 30 30 LEU HG H 1 1.76 . . 1 . . . . . . . . 4085 1 266 . 1 1 30 30 LEU HD11 H 1 0.74 . . 2 . . . . . . . . 4085 1 267 . 1 1 30 30 LEU HD12 H 1 0.74 . . 2 . . . . . . . . 4085 1 268 . 1 1 30 30 LEU HD13 H 1 0.74 . . 2 . . . . . . . . 4085 1 269 . 1 1 30 30 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4085 1 270 . 1 1 30 30 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4085 1 271 . 1 1 30 30 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4085 1 272 . 1 1 30 30 LEU CA C 13 58.5 . . 1 . . . . . . . . 4085 1 273 . 1 1 30 30 LEU CB C 13 42.0 . . 1 . . . . . . . . 4085 1 274 . 1 1 30 30 LEU CG C 13 26.6 . . 1 . . . . . . . . 4085 1 275 . 1 1 30 30 LEU CD1 C 13 24.6 . . 2 . . . . . . . . 4085 1 276 . 1 1 30 30 LEU CD2 C 13 26.3 . . 2 . . . . . . . . 4085 1 277 . 1 1 30 30 LEU N N 15 119.6 . . 1 . . . . . . . . 4085 1 278 . 1 1 31 31 ASP H H 1 8.16 . . 1 . . . . . . . . 4085 1 279 . 1 1 31 31 ASP HA H 1 4.37 . . 1 . . . . . . . . 4085 1 280 . 1 1 31 31 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 4085 1 281 . 1 1 31 31 ASP HB3 H 1 2.95 . . 2 . . . . . . . . 4085 1 282 . 1 1 31 31 ASP CA C 13 57.7 . . 1 . . . . . . . . 4085 1 283 . 1 1 31 31 ASP CB C 13 40.3 . . 1 . . . . . . . . 4085 1 284 . 1 1 31 31 ASP N N 15 119.5 . . 1 . . . . . . . . 4085 1 285 . 1 1 32 32 THR H H 1 8.05 . . 1 . . . . . . . . 4085 1 286 . 1 1 32 32 THR HA H 1 3.94 . . 1 . . . . . . . . 4085 1 287 . 1 1 32 32 THR HB H 1 4.38 . . 1 . . . . . . . . 4085 1 288 . 1 1 32 32 THR HG21 H 1 1.24 . . 1 . . . . . . . . 4085 1 289 . 1 1 32 32 THR HG22 H 1 1.24 . . 1 . . . . . . . . 4085 1 290 . 1 1 32 32 THR HG23 H 1 1.24 . . 1 . . . . . . . . 4085 1 291 . 1 1 32 32 THR CA C 13 66.6 . . 1 . . . . . . . . 4085 1 292 . 1 1 32 32 THR CB C 13 68.7 . . 1 . . . . . . . . 4085 1 293 . 1 1 32 32 THR CG2 C 13 21.8 . . 1 . . . . . . . . 4085 1 294 . 1 1 32 32 THR N N 15 117.4 . . 1 . . . . . . . . 4085 1 295 . 1 1 33 33 ILE H H 1 8.12 . . 1 . . . . . . . . 4085 1 296 . 1 1 33 33 ILE HA H 1 3.74 . . 1 . . . . . . . . 4085 1 297 . 1 1 33 33 ILE HB H 1 1.75 . . 1 . . . . . . . . 4085 1 298 . 1 1 33 33 ILE HG12 H 1 1.02 . . 2 . . . . . . . . 4085 1 299 . 1 1 33 33 ILE HG13 H 1 1.95 . . 2 . . . . . . . . 4085 1 300 . 1 1 33 33 ILE HG21 H 1 0.40 . . 1 . . . . . . . . 4085 1 301 . 1 1 33 33 ILE HG22 H 1 0.40 . . 1 . . . . . . . . 4085 1 302 . 1 1 33 33 ILE HG23 H 1 0.40 . . 1 . . . . . . . . 4085 1 303 . 1 1 33 33 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4085 1 304 . 1 1 33 33 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4085 1 305 . 1 1 33 33 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4085 1 306 . 1 1 33 33 ILE CA C 13 65.0 . . 1 . . . . . . . . 4085 1 307 . 1 1 33 33 ILE CB C 13 40.0 . . 1 . . . . . . . . 4085 1 308 . 1 1 33 33 ILE CG1 C 13 28.5 . . 1 . . . . . . . . 4085 1 309 . 1 1 33 33 ILE CG2 C 13 18.0 . . 1 . . . . . . . . 4085 1 310 . 1 1 33 33 ILE CD1 C 13 13.5 . . 1 . . . . . . . . 4085 1 311 . 1 1 33 33 ILE N N 15 119.8 . . 1 . . . . . . . . 4085 1 312 . 1 1 34 34 PHE H H 1 8.71 . . 1 . . . . . . . . 4085 1 313 . 1 1 34 34 PHE HA H 1 4.46 . . 1 . . . . . . . . 4085 1 314 . 1 1 34 34 PHE HB2 H 1 3.01 . . 2 . . . . . . . . 4085 1 315 . 1 1 34 34 PHE HB3 H 1 3.38 . . 2 . . . . . . . . 4085 1 316 . 1 1 34 34 PHE HD1 H 1 7.80 . . 1 . . . . . . . . 4085 1 317 . 1 1 34 34 PHE HD2 H 1 7.80 . . 1 . . . . . . . . 4085 1 318 . 1 1 34 34 PHE HE1 H 1 7.01 . . 1 . . . . . . . . 4085 1 319 . 1 1 34 34 PHE HE2 H 1 7.01 . . 1 . . . . . . . . 4085 1 320 . 1 1 34 34 PHE CA C 13 61.0 . . 1 . . . . . . . . 4085 1 321 . 1 1 34 34 PHE CB C 13 38.4 . . 1 . . . . . . . . 4085 1 322 . 1 1 34 34 PHE CD1 C 13 132.3 . . 1 . . . . . . . . 4085 1 323 . 1 1 34 34 PHE CD2 C 13 132.3 . . 1 . . . . . . . . 4085 1 324 . 1 1 34 34 PHE CE1 C 13 130.4 . . 1 . . . . . . . . 4085 1 325 . 1 1 34 34 PHE CE2 C 13 130.4 . . 1 . . . . . . . . 4085 1 326 . 1 1 34 34 PHE N N 15 112.1 . . 1 . . . . . . . . 4085 1 327 . 1 1 35 35 GLY H H 1 9.05 . . 1 . . . . . . . . 4085 1 328 . 1 1 35 35 GLY HA2 H 1 4.29 . . 2 . . . . . . . . 4085 1 329 . 1 1 35 35 GLY HA3 H 1 4.37 . . 2 . . . . . . . . 4085 1 330 . 1 1 35 35 GLY CA C 13 46.6 . . 1 . . . . . . . . 4085 1 331 . 1 1 35 35 GLY N N 15 114.8 . . 1 . . . . . . . . 4085 1 332 . 1 1 36 36 LYS H H 1 6.70 . . 1 . . . . . . . . 4085 1 333 . 1 1 36 36 LYS HA H 1 3.95 . . 1 . . . . . . . . 4085 1 334 . 1 1 36 36 LYS HB2 H 1 1.08 . . 2 . . . . . . . . 4085 1 335 . 1 1 36 36 LYS HB3 H 1 1.18 . . 2 . . . . . . . . 4085 1 336 . 1 1 36 36 LYS HG2 H 1 0.93 . . 2 . . . . . . . . 4085 1 337 . 1 1 36 36 LYS HG3 H 1 0.95 . . 2 . . . . . . . . 4085 1 338 . 1 1 36 36 LYS HD2 H 1 1.54 . . 1 . . . . . . . . 4085 1 339 . 1 1 36 36 LYS HD3 H 1 1.54 . . 1 . . . . . . . . 4085 1 340 . 1 1 36 36 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 4085 1 341 . 1 1 36 36 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4085 1 342 . 1 1 36 36 LYS CA C 13 57.2 . . 1 . . . . . . . . 4085 1 343 . 1 1 36 36 LYS CB C 13 32.1 . . 1 . . . . . . . . 4085 1 344 . 1 1 36 36 LYS CG C 13 24.1 . . 1 . . . . . . . . 4085 1 345 . 1 1 36 36 LYS CD C 13 28.8 . . 1 . . . . . . . . 4085 1 346 . 1 1 36 36 LYS CE C 13 41.6 . . 1 . . . . . . . . 4085 1 347 . 1 1 36 36 LYS N N 15 115.7 . . 1 . . . . . . . . 4085 1 348 . 1 1 37 37 TYR H H 1 6.86 . . 1 . . . . . . . . 4085 1 349 . 1 1 37 37 TYR HA H 1 4.41 . . 1 . . . . . . . . 4085 1 350 . 1 1 37 37 TYR HB2 H 1 2.59 . . 2 . . . . . . . . 4085 1 351 . 1 1 37 37 TYR HB3 H 1 3.36 . . 2 . . . . . . . . 4085 1 352 . 1 1 37 37 TYR HD1 H 1 7.15 . . 1 . . . . . . . . 4085 1 353 . 1 1 37 37 TYR HD2 H 1 7.15 . . 1 . . . . . . . . 4085 1 354 . 1 1 37 37 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 4085 1 355 . 1 1 37 37 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 4085 1 356 . 1 1 37 37 TYR CA C 13 58.4 . . 1 . . . . . . . . 4085 1 357 . 1 1 37 37 TYR CB C 13 38.7 . . 1 . . . . . . . . 4085 1 358 . 1 1 37 37 TYR CD1 C 13 132.4 . . 1 . . . . . . . . 4085 1 359 . 1 1 37 37 TYR CD2 C 13 132.4 . . 1 . . . . . . . . 4085 1 360 . 1 1 37 37 TYR CE1 C 13 118.7 . . 1 . . . . . . . . 4085 1 361 . 1 1 37 37 TYR CE2 C 13 118.7 . . 1 . . . . . . . . 4085 1 362 . 1 1 37 37 TYR N N 15 113.5 . . 1 . . . . . . . . 4085 1 363 . 1 1 38 38 GLY H H 1 7.34 . . 1 . . . . . . . . 4085 1 364 . 1 1 38 38 GLY HA2 H 1 3.97 . . 2 . . . . . . . . 4085 1 365 . 1 1 38 38 GLY HA3 H 1 4.23 . . 2 . . . . . . . . 4085 1 366 . 1 1 38 38 GLY CA C 13 44.7 . . 1 . . . . . . . . 4085 1 367 . 1 1 38 38 GLY N N 15 103.5 . . 1 . . . . . . . . 4085 1 368 . 1 1 39 39 SER H H 1 8.30 . . 1 . . . . . . . . 4085 1 369 . 1 1 39 39 SER HA H 1 4.57 . . 1 . . . . . . . . 4085 1 370 . 1 1 39 39 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4085 1 371 . 1 1 39 39 SER HB3 H 1 3.94 . . 1 . . . . . . . . 4085 1 372 . 1 1 39 39 SER CA C 13 57.6 . . 1 . . . . . . . . 4085 1 373 . 1 1 39 39 SER CB C 13 63.3 . . 1 . . . . . . . . 4085 1 374 . 1 1 39 39 SER N N 15 114.1 . . 1 . . . . . . . . 4085 1 375 . 1 1 40 40 ILE H H 1 8.79 . . 1 . . . . . . . . 4085 1 376 . 1 1 40 40 ILE HA H 1 3.82 . . 1 . . . . . . . . 4085 1 377 . 1 1 40 40 ILE HB H 1 1.68 . . 1 . . . . . . . . 4085 1 378 . 1 1 40 40 ILE HG21 H 1 0.57 . . 1 . . . . . . . . 4085 1 379 . 1 1 40 40 ILE HG22 H 1 0.57 . . 1 . . . . . . . . 4085 1 380 . 1 1 40 40 ILE HG23 H 1 0.57 . . 1 . . . . . . . . 4085 1 381 . 1 1 40 40 ILE HD11 H 1 0.72 . . 1 . . . . . . . . 4085 1 382 . 1 1 40 40 ILE HD12 H 1 0.72 . . 1 . . . . . . . . 4085 1 383 . 1 1 40 40 ILE HD13 H 1 0.72 . . 1 . . . . . . . . 4085 1 384 . 1 1 40 40 ILE CA C 13 61.5 . . 1 . . . . . . . . 4085 1 385 . 1 1 40 40 ILE CB C 13 38.2 . . 1 . . . . . . . . 4085 1 386 . 1 1 40 40 ILE CG2 C 13 17.9 . . 1 . . . . . . . . 4085 1 387 . 1 1 40 40 ILE CD1 C 13 14.2 . . 1 . . . . . . . . 4085 1 388 . 1 1 40 40 ILE N N 15 127.5 . . 1 . . . . . . . . 4085 1 389 . 1 1 41 41 VAL H H 1 9.02 . . 1 . . . . . . . . 4085 1 390 . 1 1 41 41 VAL HA H 1 4.21 . . 1 . . . . . . . . 4085 1 391 . 1 1 41 41 VAL HB H 1 1.92 . . 1 . . . . . . . . 4085 1 392 . 1 1 41 41 VAL HG11 H 1 0.74 . . 2 . . . . . . . . 4085 1 393 . 1 1 41 41 VAL HG12 H 1 0.74 . . 2 . . . . . . . . 4085 1 394 . 1 1 41 41 VAL HG13 H 1 0.74 . . 2 . . . . . . . . 4085 1 395 . 1 1 41 41 VAL HG21 H 1 0.88 . . 2 . . . . . . . . 4085 1 396 . 1 1 41 41 VAL HG22 H 1 0.88 . . 2 . . . . . . . . 4085 1 397 . 1 1 41 41 VAL HG23 H 1 0.88 . . 2 . . . . . . . . 4085 1 398 . 1 1 41 41 VAL CA C 13 61.9 . . 1 . . . . . . . . 4085 1 399 . 1 1 41 41 VAL CB C 13 32.7 . . 1 . . . . . . . . 4085 1 400 . 1 1 41 41 VAL CG1 C 13 19.7 . . 2 . . . . . . . . 4085 1 401 . 1 1 41 41 VAL CG2 C 13 20.9 . . 2 . . . . . . . . 4085 1 402 . 1 1 41 41 VAL N N 15 125.7 . . 1 . . . . . . . . 4085 1 403 . 1 1 42 42 GLN H H 1 7.48 . . 1 . . . . . . . . 4085 1 404 . 1 1 42 42 GLN HA H 1 4.49 . . 1 . . . . . . . . 4085 1 405 . 1 1 42 42 GLN HB2 H 1 1.87 . . 2 . . . . . . . . 4085 1 406 . 1 1 42 42 GLN HB3 H 1 1.99 . . 2 . . . . . . . . 4085 1 407 . 1 1 42 42 GLN HG2 H 1 2.22 . . 2 . . . . . . . . 4085 1 408 . 1 1 42 42 GLN HG3 H 1 2.34 . . 2 . . . . . . . . 4085 1 409 . 1 1 42 42 GLN HE21 H 1 6.79 . . 2 . . . . . . . . 4085 1 410 . 1 1 42 42 GLN HE22 H 1 7.55 . . 2 . . . . . . . . 4085 1 411 . 1 1 42 42 GLN CA C 13 55.8 . . 1 . . . . . . . . 4085 1 412 . 1 1 42 42 GLN CB C 13 32.5 . . 1 . . . . . . . . 4085 1 413 . 1 1 42 42 GLN CG C 13 33.8 . . 1 . . . . . . . . 4085 1 414 . 1 1 42 42 GLN N N 15 119.0 . . 1 . . . . . . . . 4085 1 415 . 1 1 42 42 GLN NE2 N 15 111.6 . . 1 . . . . . . . . 4085 1 416 . 1 1 43 43 LYS H H 1 8.61 . . 1 . . . . . . . . 4085 1 417 . 1 1 43 43 LYS HA H 1 5.08 . . 1 . . . . . . . . 4085 1 418 . 1 1 43 43 LYS HB2 H 1 1.62 . . 2 . . . . . . . . 4085 1 419 . 1 1 43 43 LYS HB3 H 1 1.70 . . 2 . . . . . . . . 4085 1 420 . 1 1 43 43 LYS HG2 H 1 1.34 . . 2 . . . . . . . . 4085 1 421 . 1 1 43 43 LYS HG3 H 1 1.40 . . 2 . . . . . . . . 4085 1 422 . 1 1 43 43 LYS HD2 H 1 1.57 . . 1 . . . . . . . . 4085 1 423 . 1 1 43 43 LYS HD3 H 1 1.57 . . 1 . . . . . . . . 4085 1 424 . 1 1 43 43 LYS HE2 H 1 2.88 . . 2 . . . . . . . . 4085 1 425 . 1 1 43 43 LYS HE3 H 1 3.04 . . 2 . . . . . . . . 4085 1 426 . 1 1 43 43 LYS CA C 13 54.8 . . 1 . . . . . . . . 4085 1 427 . 1 1 43 43 LYS CB C 13 35.2 . . 1 . . . . . . . . 4085 1 428 . 1 1 43 43 LYS CG C 13 23.6 . . 1 . . . . . . . . 4085 1 429 . 1 1 43 43 LYS CD C 13 29.6 . . 1 . . . . . . . . 4085 1 430 . 1 1 43 43 LYS CE C 13 41.1 . . 1 . . . . . . . . 4085 1 431 . 1 1 43 43 LYS N N 15 121.7 . . 1 . . . . . . . . 4085 1 432 . 1 1 44 44 ASN H H 1 8.87 . . 1 . . . . . . . . 4085 1 433 . 1 1 44 44 ASN HA H 1 4.98 . . 1 . . . . . . . . 4085 1 434 . 1 1 44 44 ASN HB2 H 1 2.72 . . 2 . . . . . . . . 4085 1 435 . 1 1 44 44 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 4085 1 436 . 1 1 44 44 ASN HD21 H 1 6.68 . . 2 . . . . . . . . 4085 1 437 . 1 1 44 44 ASN HD22 H 1 7.39 . . 2 . . . . . . . . 4085 1 438 . 1 1 44 44 ASN CA C 13 52.8 . . 1 . . . . . . . . 4085 1 439 . 1 1 44 44 ASN CB C 13 41.2 . . 1 . . . . . . . . 4085 1 440 . 1 1 44 44 ASN N N 15 118.3 . . 1 . . . . . . . . 4085 1 441 . 1 1 44 44 ASN ND2 N 15 109.7 . . 1 . . . . . . . . 4085 1 442 . 1 1 45 45 ILE H H 1 8.97 . . 1 . . . . . . . . 4085 1 443 . 1 1 45 45 ILE HA H 1 4.03 . . 1 . . . . . . . . 4085 1 444 . 1 1 45 45 ILE HB H 1 1.80 . . 1 . . . . . . . . 4085 1 445 . 1 1 45 45 ILE HG12 H 1 0.63 . . 2 . . . . . . . . 4085 1 446 . 1 1 45 45 ILE HG13 H 1 1.64 . . 2 . . . . . . . . 4085 1 447 . 1 1 45 45 ILE HG21 H 1 0.83 . . 1 . . . . . . . . 4085 1 448 . 1 1 45 45 ILE HG22 H 1 0.83 . . 1 . . . . . . . . 4085 1 449 . 1 1 45 45 ILE HG23 H 1 0.83 . . 1 . . . . . . . . 4085 1 450 . 1 1 45 45 ILE HD11 H 1 0.75 . . 1 . . . . . . . . 4085 1 451 . 1 1 45 45 ILE HD12 H 1 0.75 . . 1 . . . . . . . . 4085 1 452 . 1 1 45 45 ILE HD13 H 1 0.75 . . 1 . . . . . . . . 4085 1 453 . 1 1 45 45 ILE CA C 13 61.8 . . 1 . . . . . . . . 4085 1 454 . 1 1 45 45 ILE CB C 13 38.9 . . 1 . . . . . . . . 4085 1 455 . 1 1 45 45 ILE CG1 C 13 29.8 . . 1 . . . . . . . . 4085 1 456 . 1 1 45 45 ILE CG2 C 13 17.4 . . 1 . . . . . . . . 4085 1 457 . 1 1 45 45 ILE CD1 C 13 13.5 . . 1 . . . . . . . . 4085 1 458 . 1 1 45 45 ILE N N 15 126.4 . . 1 . . . . . . . . 4085 1 459 . 1 1 46 46 LEU H H 1 7.69 . . 1 . . . . . . . . 4085 1 460 . 1 1 46 46 LEU HA H 1 4.54 . . 1 . . . . . . . . 4085 1 461 . 1 1 46 46 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 4085 1 462 . 1 1 46 46 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 4085 1 463 . 1 1 46 46 LEU HG H 1 1.69 . . 1 . . . . . . . . 4085 1 464 . 1 1 46 46 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4085 1 465 . 1 1 46 46 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4085 1 466 . 1 1 46 46 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4085 1 467 . 1 1 46 46 LEU HD21 H 1 1.03 . . 2 . . . . . . . . 4085 1 468 . 1 1 46 46 LEU HD22 H 1 1.03 . . 2 . . . . . . . . 4085 1 469 . 1 1 46 46 LEU HD23 H 1 1.03 . . 2 . . . . . . . . 4085 1 470 . 1 1 46 46 LEU CA C 13 55.6 . . 1 . . . . . . . . 4085 1 471 . 1 1 46 46 LEU CB C 13 41.2 . . 1 . . . . . . . . 4085 1 472 . 1 1 46 46 LEU CG C 13 28.4 . . 1 . . . . . . . . 4085 1 473 . 1 1 46 46 LEU CD1 C 13 23.1 . . 2 . . . . . . . . 4085 1 474 . 1 1 46 46 LEU CD2 C 13 25.0 . . 2 . . . . . . . . 4085 1 475 . 1 1 46 46 LEU N N 15 127.1 . . 1 . . . . . . . . 4085 1 476 . 1 1 47 47 ARG H H 1 9.09 . . 1 . . . . . . . . 4085 1 477 . 1 1 47 47 ARG CB C 13 33.4 . . 1 . . . . . . . . 4085 1 478 . 1 1 47 47 ARG N N 15 123.3 . . 1 . . . . . . . . 4085 1 479 . 1 1 48 48 ASP H H 1 8.66 . . 1 . . . . . . . . 4085 1 480 . 1 1 48 48 ASP HA H 1 4.54 . . 1 . . . . . . . . 4085 1 481 . 1 1 48 48 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 4085 1 482 . 1 1 48 48 ASP HB3 H 1 2.97 . . 2 . . . . . . . . 4085 1 483 . 1 1 48 48 ASP CA C 13 54.3 . . 1 . . . . . . . . 4085 1 484 . 1 1 48 48 ASP CB C 13 42.9 . . 1 . . . . . . . . 4085 1 485 . 1 1 48 48 ASP N N 15 123.2 . . 1 . . . . . . . . 4085 1 486 . 1 1 49 49 LYS H H 1 8.97 . . 1 . . . . . . . . 4085 1 487 . 1 1 49 49 LYS HA H 1 4.04 . . 1 . . . . . . . . 4085 1 488 . 1 1 49 49 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4085 1 489 . 1 1 49 49 LYS HB3 H 1 1.90 . . 1 . . . . . . . . 4085 1 490 . 1 1 49 49 LYS HG2 H 1 1.51 . . 1 . . . . . . . . 4085 1 491 . 1 1 49 49 LYS HG3 H 1 1.51 . . 1 . . . . . . . . 4085 1 492 . 1 1 49 49 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4085 1 493 . 1 1 49 49 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4085 1 494 . 1 1 49 49 LYS HE3 H 1 3.04 . . 1 . . . . . . . . 4085 1 495 . 1 1 49 49 LYS CA C 13 58.5 . . 1 . . . . . . . . 4085 1 496 . 1 1 49 49 LYS CB C 13 32.5 . . 1 . . . . . . . . 4085 1 497 . 1 1 49 49 LYS CG C 13 24.9 . . 1 . . . . . . . . 4085 1 498 . 1 1 49 49 LYS CD C 13 29.1 . . 1 . . . . . . . . 4085 1 499 . 1 1 49 49 LYS CE C 13 41.9 . . 1 . . . . . . . . 4085 1 500 . 1 1 49 49 LYS N N 15 127.8 . . 1 . . . . . . . . 4085 1 501 . 1 1 50 50 LEU H H 1 8.47 . . 1 . . . . . . . . 4085 1 502 . 1 1 50 50 LEU HA H 1 4.39 . . 1 . . . . . . . . 4085 1 503 . 1 1 50 50 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 4085 1 504 . 1 1 50 50 LEU HB3 H 1 1.93 . . 2 . . . . . . . . 4085 1 505 . 1 1 50 50 LEU HG H 1 1.64 . . 1 . . . . . . . . 4085 1 506 . 1 1 50 50 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 4085 1 507 . 1 1 50 50 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 4085 1 508 . 1 1 50 50 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 4085 1 509 . 1 1 50 50 LEU HD21 H 1 0.98 . . 2 . . . . . . . . 4085 1 510 . 1 1 50 50 LEU HD22 H 1 0.98 . . 2 . . . . . . . . 4085 1 511 . 1 1 50 50 LEU HD23 H 1 0.98 . . 2 . . . . . . . . 4085 1 512 . 1 1 50 50 LEU CA C 13 56.9 . . 1 . . . . . . . . 4085 1 513 . 1 1 50 50 LEU CB C 13 42.1 . . 1 . . . . . . . . 4085 1 514 . 1 1 50 50 LEU CG C 13 27.3 . . 1 . . . . . . . . 4085 1 515 . 1 1 50 50 LEU CD1 C 13 23.4 . . 2 . . . . . . . . 4085 1 516 . 1 1 50 50 LEU CD2 C 13 24.4 . . 2 . . . . . . . . 4085 1 517 . 1 1 50 50 LEU N N 15 117.8 . . 1 . . . . . . . . 4085 1 518 . 1 1 51 51 THR H H 1 8.20 . . 1 . . . . . . . . 4085 1 519 . 1 1 51 51 THR HA H 1 4.45 . . 1 . . . . . . . . 4085 1 520 . 1 1 51 51 THR HB H 1 4.38 . . 1 . . . . . . . . 4085 1 521 . 1 1 51 51 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4085 1 522 . 1 1 51 51 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4085 1 523 . 1 1 51 51 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4085 1 524 . 1 1 51 51 THR CA C 13 61.7 . . 1 . . . . . . . . 4085 1 525 . 1 1 51 51 THR CB C 13 71.3 . . 1 . . . . . . . . 4085 1 526 . 1 1 51 51 THR CG2 C 13 21.0 . . 1 . . . . . . . . 4085 1 527 . 1 1 51 51 THR N N 15 106.4 . . 1 . . . . . . . . 4085 1 528 . 1 1 52 52 GLY H H 1 8.26 . . 1 . . . . . . . . 4085 1 529 . 1 1 52 52 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 4085 1 530 . 1 1 52 52 GLY HA3 H 1 4.25 . . 2 . . . . . . . . 4085 1 531 . 1 1 52 52 GLY CA C 13 45.6 . . 1 . . . . . . . . 4085 1 532 . 1 1 52 52 GLY N N 15 110.7 . . 1 . . . . . . . . 4085 1 533 . 1 1 53 53 ARG H H 1 7.88 . . 1 . . . . . . . . 4085 1 534 . 1 1 53 53 ARG HA H 1 4.66 . . 1 . . . . . . . . 4085 1 535 . 1 1 53 53 ARG HB2 H 1 1.71 . . 2 . . . . . . . . 4085 1 536 . 1 1 53 53 ARG HB3 H 1 1.91 . . 2 . . . . . . . . 4085 1 537 . 1 1 53 53 ARG HG2 H 1 1.73 . . 1 . . . . . . . . 4085 1 538 . 1 1 53 53 ARG HG3 H 1 1.73 . . 1 . . . . . . . . 4085 1 539 . 1 1 53 53 ARG HD2 H 1 3.24 . . 1 . . . . . . . . 4085 1 540 . 1 1 53 53 ARG HD3 H 1 3.24 . . 1 . . . . . . . . 4085 1 541 . 1 1 53 53 ARG CA C 13 54.5 . . 1 . . . . . . . . 4085 1 542 . 1 1 53 53 ARG CB C 13 30.2 . . 1 . . . . . . . . 4085 1 543 . 1 1 53 53 ARG CG C 13 27.2 . . 1 . . . . . . . . 4085 1 544 . 1 1 53 53 ARG CD C 13 43.2 . . 1 . . . . . . . . 4085 1 545 . 1 1 53 53 ARG N N 15 120.8 . . 1 . . . . . . . . 4085 1 546 . 1 1 54 54 PRO HA H 1 4.45 . . 1 . . . . . . . . 4085 1 547 . 1 1 54 54 PRO HB2 H 1 1.96 . . 2 . . . . . . . . 4085 1 548 . 1 1 54 54 PRO HB3 H 1 2.33 . . 2 . . . . . . . . 4085 1 549 . 1 1 54 54 PRO HG2 H 1 2.04 . . 2 . . . . . . . . 4085 1 550 . 1 1 54 54 PRO HG3 H 1 2.08 . . 2 . . . . . . . . 4085 1 551 . 1 1 54 54 PRO HD2 H 1 3.67 . . 2 . . . . . . . . 4085 1 552 . 1 1 54 54 PRO HD3 H 1 3.85 . . 2 . . . . . . . . 4085 1 553 . 1 1 54 54 PRO CA C 13 63.5 . . 1 . . . . . . . . 4085 1 554 . 1 1 54 54 PRO CB C 13 32.1 . . 1 . . . . . . . . 4085 1 555 . 1 1 54 54 PRO CG C 13 27.4 . . 1 . . . . . . . . 4085 1 556 . 1 1 55 55 ARG H H 1 8.27 . . 1 . . . . . . . . 4085 1 557 . 1 1 55 55 ARG HA H 1 4.42 . . 1 . . . . . . . . 4085 1 558 . 1 1 55 55 ARG HB2 H 1 1.53 . . 2 . . . . . . . . 4085 1 559 . 1 1 55 55 ARG HB3 H 1 2.05 . . 2 . . . . . . . . 4085 1 560 . 1 1 55 55 ARG HG2 H 1 1.53 . . 2 . . . . . . . . 4085 1 561 . 1 1 55 55 ARG HG3 H 1 1.71 . . 2 . . . . . . . . 4085 1 562 . 1 1 55 55 ARG HD2 H 1 3.01 . . 2 . . . . . . . . 4085 1 563 . 1 1 55 55 ARG HD3 H 1 3.21 . . 2 . . . . . . . . 4085 1 564 . 1 1 55 55 ARG CA C 13 56.2 . . 1 . . . . . . . . 4085 1 565 . 1 1 55 55 ARG CB C 13 32.0 . . 1 . . . . . . . . 4085 1 566 . 1 1 55 55 ARG CG C 13 27.5 . . 1 . . . . . . . . 4085 1 567 . 1 1 55 55 ARG CD C 13 43.6 . . 1 . . . . . . . . 4085 1 568 . 1 1 55 55 ARG N N 15 119.4 . . 1 . . . . . . . . 4085 1 569 . 1 1 56 56 GLY H H 1 8.64 . . 1 . . . . . . . . 4085 1 570 . 1 1 56 56 GLY HA2 H 1 3.40 . . 2 . . . . . . . . 4085 1 571 . 1 1 56 56 GLY HA3 H 1 4.37 . . 2 . . . . . . . . 4085 1 572 . 1 1 56 56 GLY CA C 13 45.6 . . 1 . . . . . . . . 4085 1 573 . 1 1 56 56 GLY N N 15 106.8 . . 1 . . . . . . . . 4085 1 574 . 1 1 57 57 VAL H H 1 6.98 . . 1 . . . . . . . . 4085 1 575 . 1 1 57 57 VAL HA H 1 5.24 . . 1 . . . . . . . . 4085 1 576 . 1 1 57 57 VAL HB H 1 1.69 . . 1 . . . . . . . . 4085 1 577 . 1 1 57 57 VAL HG11 H 1 0.85 . . 2 . . . . . . . . 4085 1 578 . 1 1 57 57 VAL HG12 H 1 0.85 . . 2 . . . . . . . . 4085 1 579 . 1 1 57 57 VAL HG13 H 1 0.85 . . 2 . . . . . . . . 4085 1 580 . 1 1 57 57 VAL HG21 H 1 0.74 . . 2 . . . . . . . . 4085 1 581 . 1 1 57 57 VAL HG22 H 1 0.74 . . 2 . . . . . . . . 4085 1 582 . 1 1 57 57 VAL HG23 H 1 0.74 . . 2 . . . . . . . . 4085 1 583 . 1 1 57 57 VAL CA C 13 58.8 . . 1 . . . . . . . . 4085 1 584 . 1 1 57 57 VAL CB C 13 35.4 . . 1 . . . . . . . . 4085 1 585 . 1 1 57 57 VAL CG1 C 13 20.8 . . 2 . . . . . . . . 4085 1 586 . 1 1 57 57 VAL CG2 C 13 21.9 . . 2 . . . . . . . . 4085 1 587 . 1 1 57 57 VAL N N 15 114.7 . . 1 . . . . . . . . 4085 1 588 . 1 1 58 58 ALA H H 1 9.21 . . 1 . . . . . . . . 4085 1 589 . 1 1 58 58 ALA HA H 1 5.19 . . 1 . . . . . . . . 4085 1 590 . 1 1 58 58 ALA HB1 H 1 0.98 . . 1 . . . . . . . . 4085 1 591 . 1 1 58 58 ALA HB2 H 1 0.98 . . 1 . . . . . . . . 4085 1 592 . 1 1 58 58 ALA HB3 H 1 0.98 . . 1 . . . . . . . . 4085 1 593 . 1 1 58 58 ALA CA C 13 50.7 . . 1 . . . . . . . . 4085 1 594 . 1 1 58 58 ALA CB C 13 23.8 . . 1 . . . . . . . . 4085 1 595 . 1 1 58 58 ALA N N 15 126.7 . . 1 . . . . . . . . 4085 1 596 . 1 1 59 59 PHE H H 1 8.38 . . 1 . . . . . . . . 4085 1 597 . 1 1 59 59 PHE HA H 1 5.86 . . 1 . . . . . . . . 4085 1 598 . 1 1 59 59 PHE HB2 H 1 2.78 . . 2 . . . . . . . . 4085 1 599 . 1 1 59 59 PHE HB3 H 1 3.25 . . 2 . . . . . . . . 4085 1 600 . 1 1 59 59 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 4085 1 601 . 1 1 59 59 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 4085 1 602 . 1 1 59 59 PHE HE1 H 1 7.28 . . 1 . . . . . . . . 4085 1 603 . 1 1 59 59 PHE HE2 H 1 7.28 . . 1 . . . . . . . . 4085 1 604 . 1 1 59 59 PHE CA C 13 56.3 . . 1 . . . . . . . . 4085 1 605 . 1 1 59 59 PHE CB C 13 41.9 . . 1 . . . . . . . . 4085 1 606 . 1 1 59 59 PHE CD1 C 13 132.2 . . 1 . . . . . . . . 4085 1 607 . 1 1 59 59 PHE CD2 C 13 132.2 . . 1 . . . . . . . . 4085 1 608 . 1 1 59 59 PHE CE1 C 13 131.1 . . 1 . . . . . . . . 4085 1 609 . 1 1 59 59 PHE CE2 C 13 131.1 . . 1 . . . . . . . . 4085 1 610 . 1 1 59 59 PHE N N 15 116.1 . . 1 . . . . . . . . 4085 1 611 . 1 1 60 60 VAL H H 1 8.49 . . 1 . . . . . . . . 4085 1 612 . 1 1 60 60 VAL HA H 1 4.13 . . 1 . . . . . . . . 4085 1 613 . 1 1 60 60 VAL HB H 1 1.33 . . 1 . . . . . . . . 4085 1 614 . 1 1 60 60 VAL HG11 H 1 0.05 . . 2 . . . . . . . . 4085 1 615 . 1 1 60 60 VAL HG12 H 1 0.05 . . 2 . . . . . . . . 4085 1 616 . 1 1 60 60 VAL HG13 H 1 0.05 . . 2 . . . . . . . . 4085 1 617 . 1 1 60 60 VAL HG21 H 1 0.22 . . 2 . . . . . . . . 4085 1 618 . 1 1 60 60 VAL HG22 H 1 0.22 . . 2 . . . . . . . . 4085 1 619 . 1 1 60 60 VAL HG23 H 1 0.22 . . 2 . . . . . . . . 4085 1 620 . 1 1 60 60 VAL CA C 13 61.9 . . 1 . . . . . . . . 4085 1 621 . 1 1 60 60 VAL CB C 13 36.0 . . 1 . . . . . . . . 4085 1 622 . 1 1 60 60 VAL CG1 C 13 20.3 . . 2 . . . . . . . . 4085 1 623 . 1 1 60 60 VAL CG2 C 13 20.8 . . 2 . . . . . . . . 4085 1 624 . 1 1 60 60 VAL N N 15 121.5 . . 1 . . . . . . . . 4085 1 625 . 1 1 61 61 ARG H H 1 8.85 . . 1 . . . . . . . . 4085 1 626 . 1 1 61 61 ARG HA H 1 5.59 . . 1 . . . . . . . . 4085 1 627 . 1 1 61 61 ARG HD2 H 1 3.03 . . 1 . . . . . . . . 4085 1 628 . 1 1 61 61 ARG HD3 H 1 3.03 . . 1 . . . . . . . . 4085 1 629 . 1 1 61 61 ARG CA C 13 54.3 . . 1 . . . . . . . . 4085 1 630 . 1 1 61 61 ARG CB C 13 35.9 . . 1 . . . . . . . . 4085 1 631 . 1 1 61 61 ARG CD C 13 44.2 . . 1 . . . . . . . . 4085 1 632 . 1 1 61 61 ARG N N 15 127.5 . . 1 . . . . . . . . 4085 1 633 . 1 1 62 62 TYR H H 1 8.29 . . 1 . . . . . . . . 4085 1 634 . 1 1 62 62 TYR HA H 1 5.28 . . 1 . . . . . . . . 4085 1 635 . 1 1 62 62 TYR HB2 H 1 2.58 . . 2 . . . . . . . . 4085 1 636 . 1 1 62 62 TYR HB3 H 1 4.10 . . 2 . . . . . . . . 4085 1 637 . 1 1 62 62 TYR HD1 H 1 6.94 . . 1 . . . . . . . . 4085 1 638 . 1 1 62 62 TYR HD2 H 1 6.94 . . 1 . . . . . . . . 4085 1 639 . 1 1 62 62 TYR HE1 H 1 6.64 . . 1 . . . . . . . . 4085 1 640 . 1 1 62 62 TYR HE2 H 1 6.64 . . 1 . . . . . . . . 4085 1 641 . 1 1 62 62 TYR CA C 13 58.4 . . 1 . . . . . . . . 4085 1 642 . 1 1 62 62 TYR CB C 13 42.1 . . 1 . . . . . . . . 4085 1 643 . 1 1 62 62 TYR CD1 C 13 132.7 . . 1 . . . . . . . . 4085 1 644 . 1 1 62 62 TYR CD2 C 13 132.7 . . 1 . . . . . . . . 4085 1 645 . 1 1 62 62 TYR CE1 C 13 117.2 . . 1 . . . . . . . . 4085 1 646 . 1 1 62 62 TYR CE2 C 13 117.2 . . 1 . . . . . . . . 4085 1 647 . 1 1 62 62 TYR N N 15 125.7 . . 1 . . . . . . . . 4085 1 648 . 1 1 63 63 ASN H H 1 8.75 . . 1 . . . . . . . . 4085 1 649 . 1 1 63 63 ASN HA H 1 4.61 . . 1 . . . . . . . . 4085 1 650 . 1 1 63 63 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 4085 1 651 . 1 1 63 63 ASN HB3 H 1 3.36 . . 2 . . . . . . . . 4085 1 652 . 1 1 63 63 ASN HD21 H 1 6.98 . . 2 . . . . . . . . 4085 1 653 . 1 1 63 63 ASN HD22 H 1 8.24 . . 2 . . . . . . . . 4085 1 654 . 1 1 63 63 ASN CA C 13 55.6 . . 1 . . . . . . . . 4085 1 655 . 1 1 63 63 ASN CB C 13 40.3 . . 1 . . . . . . . . 4085 1 656 . 1 1 63 63 ASN N N 15 118.0 . . 1 . . . . . . . . 4085 1 657 . 1 1 63 63 ASN ND2 N 15 114.3 . . 1 . . . . . . . . 4085 1 658 . 1 1 64 64 LYS H H 1 8.27 . . 1 . . . . . . . . 4085 1 659 . 1 1 64 64 LYS HA H 1 4.88 . . 1 . . . . . . . . 4085 1 660 . 1 1 64 64 LYS HB2 H 1 1.60 . . 2 . . . . . . . . 4085 1 661 . 1 1 64 64 LYS HB3 H 1 2.26 . . 2 . . . . . . . . 4085 1 662 . 1 1 64 64 LYS HG2 H 1 1.48 . . 1 . . . . . . . . 4085 1 663 . 1 1 64 64 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 4085 1 664 . 1 1 64 64 LYS HD2 H 1 1.74 . . 1 . . . . . . . . 4085 1 665 . 1 1 64 64 LYS HD3 H 1 1.74 . . 1 . . . . . . . . 4085 1 666 . 1 1 64 64 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 4085 1 667 . 1 1 64 64 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 4085 1 668 . 1 1 64 64 LYS CA C 13 53.9 . . 1 . . . . . . . . 4085 1 669 . 1 1 64 64 LYS CB C 13 36.1 . . 1 . . . . . . . . 4085 1 670 . 1 1 64 64 LYS CG C 13 24.9 . . 1 . . . . . . . . 4085 1 671 . 1 1 64 64 LYS CD C 13 29.1 . . 1 . . . . . . . . 4085 1 672 . 1 1 64 64 LYS CE C 13 41.8 . . 1 . . . . . . . . 4085 1 673 . 1 1 64 64 LYS N N 15 113.0 . . 1 . . . . . . . . 4085 1 674 . 1 1 65 65 ARG H H 1 9.31 . . 1 . . . . . . . . 4085 1 675 . 1 1 65 65 ARG HA H 1 3.98 . . 1 . . . . . . . . 4085 1 676 . 1 1 65 65 ARG HD3 H 1 3.27 . . 1 . . . . . . . . 4085 1 677 . 1 1 65 65 ARG HE H 1 7.51 . . 1 . . . . . . . . 4085 1 678 . 1 1 65 65 ARG CA C 13 59.3 . . 1 . . . . . . . . 4085 1 679 . 1 1 65 65 ARG CB C 13 29.8 . . 1 . . . . . . . . 4085 1 680 . 1 1 65 65 ARG CD C 13 43.4 . . 1 . . . . . . . . 4085 1 681 . 1 1 65 65 ARG N N 15 125.0 . . 1 . . . . . . . . 4085 1 682 . 1 1 65 65 ARG NE N 15 114.9 . . 1 . . . . . . . . 4085 1 683 . 1 1 66 66 GLU H H 1 10.05 . . 1 . . . . . . . . 4085 1 684 . 1 1 66 66 GLU HA H 1 4.04 . . 1 . . . . . . . . 4085 1 685 . 1 1 66 66 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4085 1 686 . 1 1 66 66 GLU HG3 H 1 2.53 . . 2 . . . . . . . . 4085 1 687 . 1 1 66 66 GLU CA C 13 60.1 . . 1 . . . . . . . . 4085 1 688 . 1 1 66 66 GLU CB C 13 28.5 . . 1 . . . . . . . . 4085 1 689 . 1 1 66 66 GLU CG C 13 36.7 . . 1 . . . . . . . . 4085 1 690 . 1 1 66 66 GLU N N 15 119.5 . . 1 . . . . . . . . 4085 1 691 . 1 1 67 67 GLU H H 1 6.85 . . 1 . . . . . . . . 4085 1 692 . 1 1 67 67 GLU HA H 1 3.92 . . 1 . . . . . . . . 4085 1 693 . 1 1 67 67 GLU CA C 13 58.1 . . 1 . . . . . . . . 4085 1 694 . 1 1 67 67 GLU CB C 13 29.3 . . 1 . . . . . . . . 4085 1 695 . 1 1 67 67 GLU N N 15 119.1 . . 1 . . . . . . . . 4085 1 696 . 1 1 68 68 ALA H H 1 6.72 . . 1 . . . . . . . . 4085 1 697 . 1 1 68 68 ALA HA H 1 3.85 . . 1 . . . . . . . . 4085 1 698 . 1 1 68 68 ALA HB1 H 1 1.59 . . 1 . . . . . . . . 4085 1 699 . 1 1 68 68 ALA HB2 H 1 1.59 . . 1 . . . . . . . . 4085 1 700 . 1 1 68 68 ALA HB3 H 1 1.59 . . 1 . . . . . . . . 4085 1 701 . 1 1 68 68 ALA CA C 13 54.9 . . 1 . . . . . . . . 4085 1 702 . 1 1 68 68 ALA CB C 13 17.7 . . 1 . . . . . . . . 4085 1 703 . 1 1 68 68 ALA N N 15 118.3 . . 1 . . . . . . . . 4085 1 704 . 1 1 69 69 GLN H H 1 8.00 . . 1 . . . . . . . . 4085 1 705 . 1 1 69 69 GLN HA H 1 3.92 . . 1 . . . . . . . . 4085 1 706 . 1 1 69 69 GLN HB2 H 1 2.10 . . 1 . . . . . . . . 4085 1 707 . 1 1 69 69 GLN HB3 H 1 2.10 . . 1 . . . . . . . . 4085 1 708 . 1 1 69 69 GLN HG2 H 1 2.45 . . 1 . . . . . . . . 4085 1 709 . 1 1 69 69 GLN HG3 H 1 2.45 . . 1 . . . . . . . . 4085 1 710 . 1 1 69 69 GLN CA C 13 58.4 . . 1 . . . . . . . . 4085 1 711 . 1 1 69 69 GLN CB C 13 28.4 . . 1 . . . . . . . . 4085 1 712 . 1 1 69 69 GLN CG C 13 33.7 . . 1 . . . . . . . . 4085 1 713 . 1 1 69 69 GLN N N 15 113.6 . . 1 . . . . . . . . 4085 1 714 . 1 1 70 70 GLU H H 1 7.76 . . 1 . . . . . . . . 4085 1 715 . 1 1 70 70 GLU HA H 1 4.01 . . 1 . . . . . . . . 4085 1 716 . 1 1 70 70 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 4085 1 717 . 1 1 70 70 GLU HB3 H 1 2.31 . . 2 . . . . . . . . 4085 1 718 . 1 1 70 70 GLU HG2 H 1 2.54 . . 1 . . . . . . . . 4085 1 719 . 1 1 70 70 GLU HG3 H 1 2.54 . . 1 . . . . . . . . 4085 1 720 . 1 1 70 70 GLU CA C 13 58.9 . . 1 . . . . . . . . 4085 1 721 . 1 1 70 70 GLU CB C 13 28.3 . . 1 . . . . . . . . 4085 1 722 . 1 1 70 70 GLU CG C 13 35.0 . . 1 . . . . . . . . 4085 1 723 . 1 1 70 70 GLU N N 15 120.8 . . 1 . . . . . . . . 4085 1 724 . 1 1 71 71 ALA H H 1 7.89 . . 1 . . . . . . . . 4085 1 725 . 1 1 71 71 ALA HA H 1 3.09 . . 1 . . . . . . . . 4085 1 726 . 1 1 71 71 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4085 1 727 . 1 1 71 71 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4085 1 728 . 1 1 71 71 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4085 1 729 . 1 1 71 71 ALA CA C 13 55.2 . . 1 . . . . . . . . 4085 1 730 . 1 1 71 71 ALA CB C 13 19.0 . . 1 . . . . . . . . 4085 1 731 . 1 1 71 71 ALA N N 15 121.9 . . 1 . . . . . . . . 4085 1 732 . 1 1 72 72 ILE H H 1 7.96 . . 1 . . . . . . . . 4085 1 733 . 1 1 72 72 ILE HA H 1 3.29 . . 1 . . . . . . . . 4085 1 734 . 1 1 72 72 ILE HG12 H 1 1.67 . . 1 . . . . . . . . 4085 1 735 . 1 1 72 72 ILE HG13 H 1 1.67 . . 1 . . . . . . . . 4085 1 736 . 1 1 72 72 ILE HG21 H 1 0.92 . . 1 . . . . . . . . 4085 1 737 . 1 1 72 72 ILE HG22 H 1 0.92 . . 1 . . . . . . . . 4085 1 738 . 1 1 72 72 ILE HG23 H 1 0.92 . . 1 . . . . . . . . 4085 1 739 . 1 1 72 72 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 4085 1 740 . 1 1 72 72 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 4085 1 741 . 1 1 72 72 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 4085 1 742 . 1 1 72 72 ILE CA C 13 66.4 . . 1 . . . . . . . . 4085 1 743 . 1 1 72 72 ILE CB C 13 38.6 . . 1 . . . . . . . . 4085 1 744 . 1 1 72 72 ILE CG1 C 13 28.2 . . 1 . . . . . . . . 4085 1 745 . 1 1 72 72 ILE CG2 C 13 17.3 . . 1 . . . . . . . . 4085 1 746 . 1 1 72 72 ILE CD1 C 13 14.0 . . 1 . . . . . . . . 4085 1 747 . 1 1 72 72 ILE N N 15 116.7 . . 1 . . . . . . . . 4085 1 748 . 1 1 73 73 SER H H 1 7.80 . . 1 . . . . . . . . 4085 1 749 . 1 1 73 73 SER HA H 1 4.11 . . 1 . . . . . . . . 4085 1 750 . 1 1 73 73 SER HB2 H 1 3.90 . . 1 . . . . . . . . 4085 1 751 . 1 1 73 73 SER HB3 H 1 3.90 . . 1 . . . . . . . . 4085 1 752 . 1 1 73 73 SER CA C 13 61.2 . . 1 . . . . . . . . 4085 1 753 . 1 1 73 73 SER CB C 13 63.0 . . 1 . . . . . . . . 4085 1 754 . 1 1 73 73 SER N N 15 112.5 . . 1 . . . . . . . . 4085 1 755 . 1 1 74 74 ALA H H 1 7.88 . . 1 . . . . . . . . 4085 1 756 . 1 1 74 74 ALA HA H 1 4.19 . . 1 . . . . . . . . 4085 1 757 . 1 1 74 74 ALA HB1 H 1 1.10 . . 1 . . . . . . . . 4085 1 758 . 1 1 74 74 ALA HB2 H 1 1.10 . . 1 . . . . . . . . 4085 1 759 . 1 1 74 74 ALA HB3 H 1 1.10 . . 1 . . . . . . . . 4085 1 760 . 1 1 74 74 ALA CA C 13 53.8 . . 1 . . . . . . . . 4085 1 761 . 1 1 74 74 ALA CB C 13 20.4 . . 1 . . . . . . . . 4085 1 762 . 1 1 74 74 ALA N N 15 120.4 . . 1 . . . . . . . . 4085 1 763 . 1 1 75 75 LEU H H 1 7.87 . . 1 . . . . . . . . 4085 1 764 . 1 1 75 75 LEU HA H 1 4.47 . . 1 . . . . . . . . 4085 1 765 . 1 1 75 75 LEU HD11 H 1 0.66 . . 2 . . . . . . . . 4085 1 766 . 1 1 75 75 LEU HD12 H 1 0.66 . . 2 . . . . . . . . 4085 1 767 . 1 1 75 75 LEU HD13 H 1 0.66 . . 2 . . . . . . . . 4085 1 768 . 1 1 75 75 LEU HD21 H 1 0.21 . . 2 . . . . . . . . 4085 1 769 . 1 1 75 75 LEU HD22 H 1 0.21 . . 2 . . . . . . . . 4085 1 770 . 1 1 75 75 LEU HD23 H 1 0.21 . . 2 . . . . . . . . 4085 1 771 . 1 1 75 75 LEU CA C 13 54.7 . . 1 . . . . . . . . 4085 1 772 . 1 1 75 75 LEU CB C 13 44.9 . . 1 . . . . . . . . 4085 1 773 . 1 1 75 75 LEU CD1 C 13 22.4 . . 2 . . . . . . . . 4085 1 774 . 1 1 75 75 LEU CD2 C 13 27.3 . . 2 . . . . . . . . 4085 1 775 . 1 1 75 75 LEU N N 15 113.4 . . 1 . . . . . . . . 4085 1 776 . 1 1 76 76 ASN H H 1 8.02 . . 1 . . . . . . . . 4085 1 777 . 1 1 76 76 ASN HA H 1 4.34 . . 1 . . . . . . . . 4085 1 778 . 1 1 76 76 ASN HB2 H 1 2.92 . . 2 . . . . . . . . 4085 1 779 . 1 1 76 76 ASN HB3 H 1 3.03 . . 2 . . . . . . . . 4085 1 780 . 1 1 76 76 ASN HD21 H 1 7.03 . . 2 . . . . . . . . 4085 1 781 . 1 1 76 76 ASN HD22 H 1 7.96 . . 2 . . . . . . . . 4085 1 782 . 1 1 76 76 ASN CA C 13 56.2 . . 1 . . . . . . . . 4085 1 783 . 1 1 76 76 ASN CB C 13 38.9 . . 1 . . . . . . . . 4085 1 784 . 1 1 76 76 ASN N N 15 116.0 . . 1 . . . . . . . . 4085 1 785 . 1 1 76 76 ASN ND2 N 15 115.3 . . 1 . . . . . . . . 4085 1 786 . 1 1 77 77 ASN H H 1 8.97 . . 1 . . . . . . . . 4085 1 787 . 1 1 77 77 ASN HA H 1 4.39 . . 1 . . . . . . . . 4085 1 788 . 1 1 77 77 ASN HB2 H 1 2.95 . . 2 . . . . . . . . 4085 1 789 . 1 1 77 77 ASN HB3 H 1 3.17 . . 2 . . . . . . . . 4085 1 790 . 1 1 77 77 ASN HD21 H 1 6.81 . . 2 . . . . . . . . 4085 1 791 . 1 1 77 77 ASN HD22 H 1 7.62 . . 2 . . . . . . . . 4085 1 792 . 1 1 77 77 ASN CA C 13 55.1 . . 1 . . . . . . . . 4085 1 793 . 1 1 77 77 ASN CB C 13 37.7 . . 1 . . . . . . . . 4085 1 794 . 1 1 77 77 ASN N N 15 119.4 . . 1 . . . . . . . . 4085 1 795 . 1 1 77 77 ASN ND2 N 15 112.8 . . 1 . . . . . . . . 4085 1 796 . 1 1 78 78 VAL H H 1 7.70 . . 1 . . . . . . . . 4085 1 797 . 1 1 78 78 VAL HA H 1 4.22 . . 1 . . . . . . . . 4085 1 798 . 1 1 78 78 VAL HB H 1 2.03 . . 1 . . . . . . . . 4085 1 799 . 1 1 78 78 VAL HG11 H 1 0.85 . . 1 . . . . . . . . 4085 1 800 . 1 1 78 78 VAL HG12 H 1 0.85 . . 1 . . . . . . . . 4085 1 801 . 1 1 78 78 VAL HG13 H 1 0.85 . . 1 . . . . . . . . 4085 1 802 . 1 1 78 78 VAL HG21 H 1 0.85 . . 1 . . . . . . . . 4085 1 803 . 1 1 78 78 VAL HG22 H 1 0.85 . . 1 . . . . . . . . 4085 1 804 . 1 1 78 78 VAL HG23 H 1 0.85 . . 1 . . . . . . . . 4085 1 805 . 1 1 78 78 VAL CA C 13 61.4 . . 1 . . . . . . . . 4085 1 806 . 1 1 78 78 VAL CB C 13 34.3 . . 1 . . . . . . . . 4085 1 807 . 1 1 78 78 VAL CG1 C 13 21.1 . . 1 . . . . . . . . 4085 1 808 . 1 1 78 78 VAL CG2 C 13 21.1 . . 1 . . . . . . . . 4085 1 809 . 1 1 78 78 VAL N N 15 119.8 . . 1 . . . . . . . . 4085 1 810 . 1 1 79 79 ILE H H 1 8.64 . . 1 . . . . . . . . 4085 1 811 . 1 1 79 79 ILE HA H 1 4.41 . . 1 . . . . . . . . 4085 1 812 . 1 1 79 79 ILE HB H 1 1.69 . . 1 . . . . . . . . 4085 1 813 . 1 1 79 79 ILE HG12 H 1 0.30 . . 2 . . . . . . . . 4085 1 814 . 1 1 79 79 ILE HG13 H 1 1.57 . . 2 . . . . . . . . 4085 1 815 . 1 1 79 79 ILE HG21 H 1 0.67 . . 1 . . . . . . . . 4085 1 816 . 1 1 79 79 ILE HG22 H 1 0.67 . . 1 . . . . . . . . 4085 1 817 . 1 1 79 79 ILE HG23 H 1 0.67 . . 1 . . . . . . . . 4085 1 818 . 1 1 79 79 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4085 1 819 . 1 1 79 79 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4085 1 820 . 1 1 79 79 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4085 1 821 . 1 1 79 79 ILE CA C 13 58.9 . . 1 . . . . . . . . 4085 1 822 . 1 1 79 79 ILE CG1 C 13 27.9 . . 1 . . . . . . . . 4085 1 823 . 1 1 79 79 ILE CG2 C 13 16.6 . . 1 . . . . . . . . 4085 1 824 . 1 1 79 79 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4085 1 825 . 1 1 79 79 ILE N N 15 128.4 . . 1 . . . . . . . . 4085 1 826 . 1 1 80 80 PRO HA H 1 4.45 . . 1 . . . . . . . . 4085 1 827 . 1 1 80 80 PRO CA C 13 62.2 . . 1 . . . . . . . . 4085 1 828 . 1 1 80 80 PRO CB C 13 32.1 . . 1 . . . . . . . . 4085 1 829 . 1 1 81 81 GLU H H 1 8.64 . . 1 . . . . . . . . 4085 1 830 . 1 1 81 81 GLU HA H 1 4.06 . . 1 . . . . . . . . 4085 1 831 . 1 1 81 81 GLU HB2 H 1 1.91 . . 2 . . . . . . . . 4085 1 832 . 1 1 81 81 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 4085 1 833 . 1 1 81 81 GLU HG2 H 1 2.30 . . 1 . . . . . . . . 4085 1 834 . 1 1 81 81 GLU HG3 H 1 2.30 . . 1 . . . . . . . . 4085 1 835 . 1 1 81 81 GLU CA C 13 58.2 . . 1 . . . . . . . . 4085 1 836 . 1 1 81 81 GLU CB C 13 28.9 . . 1 . . . . . . . . 4085 1 837 . 1 1 81 81 GLU CG C 13 35.5 . . 1 . . . . . . . . 4085 1 838 . 1 1 81 81 GLU N N 15 121.6 . . 1 . . . . . . . . 4085 1 839 . 1 1 82 82 GLY H H 1 8.84 . . 1 . . . . . . . . 4085 1 840 . 1 1 82 82 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 4085 1 841 . 1 1 82 82 GLY HA3 H 1 4.21 . . 2 . . . . . . . . 4085 1 842 . 1 1 82 82 GLY CA C 13 45.1 . . 1 . . . . . . . . 4085 1 843 . 1 1 82 82 GLY N N 15 113.9 . . 1 . . . . . . . . 4085 1 844 . 1 1 83 83 GLY H H 1 8.52 . . 1 . . . . . . . . 4085 1 845 . 1 1 83 83 GLY HA2 H 1 3.56 . . 2 . . . . . . . . 4085 1 846 . 1 1 83 83 GLY HA3 H 1 4.56 . . 2 . . . . . . . . 4085 1 847 . 1 1 83 83 GLY CA C 13 43.6 . . 1 . . . . . . . . 4085 1 848 . 1 1 83 83 GLY N N 15 107.9 . . 1 . . . . . . . . 4085 1 849 . 1 1 84 84 SER H H 1 8.99 . . 1 . . . . . . . . 4085 1 850 . 1 1 84 84 SER HA H 1 4.72 . . 1 . . . . . . . . 4085 1 851 . 1 1 84 84 SER HB2 H 1 3.79 . . 2 . . . . . . . . 4085 1 852 . 1 1 84 84 SER HB3 H 1 3.93 . . 2 . . . . . . . . 4085 1 853 . 1 1 84 84 SER CA C 13 58.1 . . 1 . . . . . . . . 4085 1 854 . 1 1 84 84 SER CB C 13 65.0 . . 1 . . . . . . . . 4085 1 855 . 1 1 84 84 SER N N 15 110.4 . . 1 . . . . . . . . 4085 1 856 . 1 1 85 85 GLN H H 1 7.83 . . 1 . . . . . . . . 4085 1 857 . 1 1 85 85 GLN HA H 1 4.92 . . 1 . . . . . . . . 4085 1 858 . 1 1 85 85 GLN HB2 H 1 1.90 . . 2 . . . . . . . . 4085 1 859 . 1 1 85 85 GLN HB3 H 1 2.11 . . 2 . . . . . . . . 4085 1 860 . 1 1 85 85 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 4085 1 861 . 1 1 85 85 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 4085 1 862 . 1 1 85 85 GLN HE21 H 1 6.79 . . 2 . . . . . . . . 4085 1 863 . 1 1 85 85 GLN HE22 H 1 7.41 . . 2 . . . . . . . . 4085 1 864 . 1 1 85 85 GLN CA C 13 52.6 . . 1 . . . . . . . . 4085 1 865 . 1 1 85 85 GLN CG C 13 33.2 . . 1 . . . . . . . . 4085 1 866 . 1 1 85 85 GLN N N 15 120.3 . . 1 . . . . . . . . 4085 1 867 . 1 1 85 85 GLN NE2 N 15 111.6 . . 1 . . . . . . . . 4085 1 868 . 1 1 86 86 PRO HA H 1 4.14 . . 1 . . . . . . . . 4085 1 869 . 1 1 86 86 PRO HB2 H 1 1.78 . . 1 . . . . . . . . 4085 1 870 . 1 1 86 86 PRO HB3 H 1 1.78 . . 1 . . . . . . . . 4085 1 871 . 1 1 86 86 PRO CA C 13 62.0 . . 1 . . . . . . . . 4085 1 872 . 1 1 86 86 PRO CB C 13 31.3 . . 1 . . . . . . . . 4085 1 873 . 1 1 87 87 LEU H H 1 8.47 . . 1 . . . . . . . . 4085 1 874 . 1 1 87 87 LEU HA H 1 4.39 . . 1 . . . . . . . . 4085 1 875 . 1 1 87 87 LEU HB2 H 1 1.29 . . 2 . . . . . . . . 4085 1 876 . 1 1 87 87 LEU HB3 H 1 2.23 . . 2 . . . . . . . . 4085 1 877 . 1 1 87 87 LEU HG H 1 0.86 . . 1 . . . . . . . . 4085 1 878 . 1 1 87 87 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 4085 1 879 . 1 1 87 87 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 4085 1 880 . 1 1 87 87 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 4085 1 881 . 1 1 87 87 LEU HD21 H 1 0.85 . . 2 . . . . . . . . 4085 1 882 . 1 1 87 87 LEU HD22 H 1 0.85 . . 2 . . . . . . . . 4085 1 883 . 1 1 87 87 LEU HD23 H 1 0.85 . . 2 . . . . . . . . 4085 1 884 . 1 1 87 87 LEU CA C 13 55.1 . . 1 . . . . . . . . 4085 1 885 . 1 1 87 87 LEU CB C 13 43.4 . . 1 . . . . . . . . 4085 1 886 . 1 1 87 87 LEU CG C 13 21.9 . . 1 . . . . . . . . 4085 1 887 . 1 1 87 87 LEU CD1 C 13 24.2 . . 2 . . . . . . . . 4085 1 888 . 1 1 87 87 LEU CD2 C 13 26.1 . . 2 . . . . . . . . 4085 1 889 . 1 1 87 87 LEU N N 15 122.2 . . 1 . . . . . . . . 4085 1 890 . 1 1 88 88 SER H H 1 7.73 . . 1 . . . . . . . . 4085 1 891 . 1 1 88 88 SER HA H 1 5.17 . . 1 . . . . . . . . 4085 1 892 . 1 1 88 88 SER HB2 H 1 3.71 . . 2 . . . . . . . . 4085 1 893 . 1 1 88 88 SER HB3 H 1 3.96 . . 2 . . . . . . . . 4085 1 894 . 1 1 88 88 SER CA C 13 56.9 . . 1 . . . . . . . . 4085 1 895 . 1 1 88 88 SER CB C 13 63.1 . . 1 . . . . . . . . 4085 1 896 . 1 1 88 88 SER N N 15 115.6 . . 1 . . . . . . . . 4085 1 897 . 1 1 89 89 VAL H H 1 8.82 . . 1 . . . . . . . . 4085 1 898 . 1 1 89 89 VAL HA H 1 4.66 . . 1 . . . . . . . . 4085 1 899 . 1 1 89 89 VAL HB H 1 1.93 . . 1 . . . . . . . . 4085 1 900 . 1 1 89 89 VAL HG11 H 1 1.02 . . 1 . . . . . . . . 4085 1 901 . 1 1 89 89 VAL HG12 H 1 1.02 . . 1 . . . . . . . . 4085 1 902 . 1 1 89 89 VAL HG13 H 1 1.02 . . 1 . . . . . . . . 4085 1 903 . 1 1 89 89 VAL HG21 H 1 1.02 . . 1 . . . . . . . . 4085 1 904 . 1 1 89 89 VAL HG22 H 1 1.02 . . 1 . . . . . . . . 4085 1 905 . 1 1 89 89 VAL HG23 H 1 1.02 . . 1 . . . . . . . . 4085 1 906 . 1 1 89 89 VAL CA C 13 61.5 . . 1 . . . . . . . . 4085 1 907 . 1 1 89 89 VAL CB C 13 34.9 . . 1 . . . . . . . . 4085 1 908 . 1 1 89 89 VAL CG1 C 13 21.8 . . 2 . . . . . . . . 4085 1 909 . 1 1 89 89 VAL CG2 C 13 24.3 . . 2 . . . . . . . . 4085 1 910 . 1 1 89 89 VAL N N 15 126.6 . . 1 . . . . . . . . 4085 1 911 . 1 1 90 90 ARG H H 1 8.25 . . 1 . . . . . . . . 4085 1 912 . 1 1 90 90 ARG HA H 1 4.55 . . 1 . . . . . . . . 4085 1 913 . 1 1 90 90 ARG HB2 H 1 1.89 . . 2 . . . . . . . . 4085 1 914 . 1 1 90 90 ARG HB3 H 1 1.97 . . 2 . . . . . . . . 4085 1 915 . 1 1 90 90 ARG HG2 H 1 1.67 . . 1 . . . . . . . . 4085 1 916 . 1 1 90 90 ARG HG3 H 1 1.67 . . 1 . . . . . . . . 4085 1 917 . 1 1 90 90 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 4085 1 918 . 1 1 90 90 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 4085 1 919 . 1 1 90 90 ARG CA C 13 53.7 . . 1 . . . . . . . . 4085 1 920 . 1 1 90 90 ARG CB C 13 30.5 . . 1 . . . . . . . . 4085 1 921 . 1 1 90 90 ARG CG C 13 26.8 . . 1 . . . . . . . . 4085 1 922 . 1 1 90 90 ARG CD C 13 43.3 . . 1 . . . . . . . . 4085 1 923 . 1 1 90 90 ARG N N 15 121.6 . . 1 . . . . . . . . 4085 1 924 . 1 1 91 91 LEU H H 1 8.99 . . 1 . . . . . . . . 4085 1 925 . 1 1 91 91 LEU HA H 1 4.54 . . 1 . . . . . . . . 4085 1 926 . 1 1 91 91 LEU HB2 H 1 1.68 . . 1 . . . . . . . . 4085 1 927 . 1 1 91 91 LEU HB3 H 1 1.68 . . 1 . . . . . . . . 4085 1 928 . 1 1 91 91 LEU HD11 H 1 0.82 . . 2 . . . . . . . . 4085 1 929 . 1 1 91 91 LEU HD12 H 1 0.82 . . 2 . . . . . . . . 4085 1 930 . 1 1 91 91 LEU HD13 H 1 0.82 . . 2 . . . . . . . . 4085 1 931 . 1 1 91 91 LEU HD21 H 1 0.95 . . 2 . . . . . . . . 4085 1 932 . 1 1 91 91 LEU HD22 H 1 0.95 . . 2 . . . . . . . . 4085 1 933 . 1 1 91 91 LEU HD23 H 1 0.95 . . 2 . . . . . . . . 4085 1 934 . 1 1 91 91 LEU CA C 13 56.1 . . 1 . . . . . . . . 4085 1 935 . 1 1 91 91 LEU CB C 13 41.7 . . 1 . . . . . . . . 4085 1 936 . 1 1 91 91 LEU CD1 C 13 23.1 . . 2 . . . . . . . . 4085 1 937 . 1 1 91 91 LEU CD2 C 13 25.4 . . 2 . . . . . . . . 4085 1 938 . 1 1 91 91 LEU N N 15 126.1 . . 1 . . . . . . . . 4085 1 939 . 1 1 92 92 ALA H H 1 8.82 . . 1 . . . . . . . . 4085 1 940 . 1 1 92 92 ALA HA H 1 4.24 . . 1 . . . . . . . . 4085 1 941 . 1 1 92 92 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4085 1 942 . 1 1 92 92 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4085 1 943 . 1 1 92 92 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4085 1 944 . 1 1 92 92 ALA CA C 13 53.2 . . 1 . . . . . . . . 4085 1 945 . 1 1 92 92 ALA CB C 13 19.4 . . 1 . . . . . . . . 4085 1 946 . 1 1 92 92 ALA N N 15 121.7 . . 1 . . . . . . . . 4085 1 947 . 1 1 93 93 GLU H H 1 8.58 . . 1 . . . . . . . . 4085 1 948 . 1 1 93 93 GLU HA H 1 4.33 . . 1 . . . . . . . . 4085 1 949 . 1 1 93 93 GLU HB2 H 1 1.92 . . 2 . . . . . . . . 4085 1 950 . 1 1 93 93 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 4085 1 951 . 1 1 93 93 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 4085 1 952 . 1 1 93 93 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 4085 1 953 . 1 1 93 93 GLU CA C 13 55.9 . . 1 . . . . . . . . 4085 1 954 . 1 1 93 93 GLU CB C 13 30.2 . . 1 . . . . . . . . 4085 1 955 . 1 1 93 93 GLU CG C 13 35.7 . . 1 . . . . . . . . 4085 1 956 . 1 1 93 93 GLU N N 15 119.5 . . 1 . . . . . . . . 4085 1 957 . 1 1 94 94 GLU H H 1 8.39 . . 1 . . . . . . . . 4085 1 958 . 1 1 94 94 GLU HA H 1 4.35 . . 1 . . . . . . . . 4085 1 959 . 1 1 94 94 GLU HB2 H 1 1.88 . . 2 . . . . . . . . 4085 1 960 . 1 1 94 94 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 4085 1 961 . 1 1 94 94 GLU HG2 H 1 2.19 . . 1 . . . . . . . . 4085 1 962 . 1 1 94 94 GLU HG3 H 1 2.23 . . 2 . . . . . . . . 4085 1 963 . 1 1 94 94 GLU CA C 13 56.3 . . 1 . . . . . . . . 4085 1 964 . 1 1 94 94 GLU CB C 13 30.5 . . 1 . . . . . . . . 4085 1 965 . 1 1 94 94 GLU CG C 13 35.8 . . 1 . . . . . . . . 4085 1 966 . 1 1 94 94 GLU N N 15 122.2 . . 1 . . . . . . . . 4085 1 967 . 1 1 95 95 HIS H H 1 8.61 . . 1 . . . . . . . . 4085 1 968 . 1 1 95 95 HIS HA H 1 4.70 . . 1 . . . . . . . . 4085 1 969 . 1 1 95 95 HIS HB2 H 1 3.14 . . 2 . . . . . . . . 4085 1 970 . 1 1 95 95 HIS HB3 H 1 3.28 . . 2 . . . . . . . . 4085 1 971 . 1 1 95 95 HIS HD2 H 1 7.27 . . 1 . . . . . . . . 4085 1 972 . 1 1 95 95 HIS HE1 H 1 8.53 . . 1 . . . . . . . . 4085 1 973 . 1 1 95 95 HIS CA C 13 55.2 . . 1 . . . . . . . . 4085 1 974 . 1 1 95 95 HIS CB C 13 29.1 . . 1 . . . . . . . . 4085 1 975 . 1 1 95 95 HIS CD2 C 13 119.9 . . 1 . . . . . . . . 4085 1 976 . 1 1 95 95 HIS CE1 C 13 136.4 . . 1 . . . . . . . . 4085 1 977 . 1 1 95 95 HIS N N 15 119.1 . . 1 . . . . . . . . 4085 1 978 . 1 1 96 96 GLY H H 1 8.49 . . 1 . . . . . . . . 4085 1 979 . 1 1 96 96 GLY N N 15 110.4 . . 1 . . . . . . . . 4085 1 980 . 1 1 97 97 LYS H H 1 7.90 . . 1 . . . . . . . . 4085 1 981 . 1 1 97 97 LYS HA H 1 4.17 . . 1 . . . . . . . . 4085 1 982 . 1 1 97 97 LYS HB2 H 1 1.70 . . 2 . . . . . . . . 4085 1 983 . 1 1 97 97 LYS HB3 H 1 1.82 . . 2 . . . . . . . . 4085 1 984 . 1 1 97 97 LYS HG2 H 1 1.37 . . 1 . . . . . . . . 4085 1 985 . 1 1 97 97 LYS HG3 H 1 1.37 . . 1 . . . . . . . . 4085 1 986 . 1 1 97 97 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 4085 1 987 . 1 1 97 97 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 4085 1 988 . 1 1 97 97 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4085 1 989 . 1 1 97 97 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4085 1 990 . 1 1 97 97 LYS CA C 13 57.5 . . 1 . . . . . . . . 4085 1 991 . 1 1 97 97 LYS CB C 13 33.6 . . 1 . . . . . . . . 4085 1 992 . 1 1 97 97 LYS CG C 13 24.8 . . 1 . . . . . . . . 4085 1 993 . 1 1 97 97 LYS CD C 13 29.1 . . 1 . . . . . . . . 4085 1 994 . 1 1 97 97 LYS CE C 13 41.8 . . 1 . . . . . . . . 4085 1 995 . 1 1 97 97 LYS N N 15 125.8 . . 1 . . . . . . . . 4085 1 stop_ save_