data_4858 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4858 _Entry.Title ; SOLUTION STRUCTURE OF NUCLEOLIN RBD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-16 _Entry.Accession_date 2000-10-16 _Entry.Last_release_date 2001-11-14 _Entry.Original_release_date 2001-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 F. Allain . H.T. . 4858 2 D. Gilbert . E. . 4858 3 P. Bouvet . . . 4858 4 J. Feigon . . . 4858 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4858 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 4858 '15N chemical shifts' 100 4858 '1H chemical shifts' 698 4858 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 . . 2001-11-14 2000-10-16 original author . 4858 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4858 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20481411 _Citation.DOI . _Citation.PubMed_ID 11023788 _Citation.Full_citation . _Citation.Title ; Solution Strcuture of the two N-terminal RNA-binding Domains of Nucleolin and NMR Study of the Interaction with its RNA Target ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 303 _Citation.Journal_issue 2 _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 227 _Citation.Page_last 241 _Citation.Year 2000 _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 F. Allain . H.T. . 4858 1 2 D. Gilbert . E. . 4858 1 3 P. Bouvet . . . 4858 1 4 J. Feigon . . . 4858 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Nucleolus 4858 1 RBD 4858 1 'RNA binding domain' 4858 1 RNP 4858 1 RRM 4858 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_nucleolin_rbd1 _Assembly.Sf_category assembly _Assembly.Sf_framecode nucleolin_rbd1 _Assembly.Entry_ID 4858 _Assembly.ID 1 _Assembly.Name 'NUCLEOLIN RBD1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4858 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 'NUCLEOLIN RBD1' 1 $rbd1 . . . native . . . . . 4858 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FJ7 . . . . . . 4858 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nucleolin rbd1' abbreviation 4858 1 'NUCLEOLIN RBD1' system 4858 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rbd1 _Entity.Sf_category entity _Entity.Sf_framecode rbd1 _Entity.Entry_ID 4858 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NUCLEOLIN RBD1' _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 ; GSHMLEDPVEGSESTTPFNL FIGNLNPNKSVAELKVAISE LFAKNDLAVVDVRTGTNRKF GYVDFESAEDLEKALELTGL KVFGNEIKLEKPKGRDGTRG C ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1FJ7 . "Solution Structure Of Nucleolin Rbd1" . . . . . 100.00 101 100.00 100.00 4.85e-65 . . . . 4858 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NUCLEOLIN RBD1' common 4858 1 rbd1 abbreviation 4858 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 . GLY . 4858 1 2 . SER . 4858 1 3 . HIS . 4858 1 4 . MET . 4858 1 5 . LEU . 4858 1 6 . GLU . 4858 1 7 . ASP . 4858 1 8 . PRO . 4858 1 9 . VAL . 4858 1 10 . GLU . 4858 1 11 . GLY . 4858 1 12 . SER . 4858 1 13 . GLU . 4858 1 14 . SER . 4858 1 15 . THR . 4858 1 16 . THR . 4858 1 17 . PRO . 4858 1 18 . PHE . 4858 1 19 . ASN . 4858 1 20 . LEU . 4858 1 21 . PHE . 4858 1 22 . ILE . 4858 1 23 . GLY . 4858 1 24 . ASN . 4858 1 25 . LEU . 4858 1 26 . ASN . 4858 1 27 . PRO . 4858 1 28 . ASN . 4858 1 29 . LYS . 4858 1 30 . SER . 4858 1 31 . VAL . 4858 1 32 . ALA . 4858 1 33 . GLU . 4858 1 34 . LEU . 4858 1 35 . LYS . 4858 1 36 . VAL . 4858 1 37 . ALA . 4858 1 38 . ILE . 4858 1 39 . SER . 4858 1 40 . GLU . 4858 1 41 . LEU . 4858 1 42 . PHE . 4858 1 43 . ALA . 4858 1 44 . LYS . 4858 1 45 . ASN . 4858 1 46 . ASP . 4858 1 47 . LEU . 4858 1 48 . ALA . 4858 1 49 . VAL . 4858 1 50 . VAL . 4858 1 51 . ASP . 4858 1 52 . VAL . 4858 1 53 . ARG . 4858 1 54 . THR . 4858 1 55 . GLY . 4858 1 56 . THR . 4858 1 57 . ASN . 4858 1 58 . ARG . 4858 1 59 . LYS . 4858 1 60 . PHE . 4858 1 61 . GLY . 4858 1 62 . TYR . 4858 1 63 . VAL . 4858 1 64 . ASP . 4858 1 65 . PHE . 4858 1 66 . GLU . 4858 1 67 . SER . 4858 1 68 . ALA . 4858 1 69 . GLU . 4858 1 70 . ASP . 4858 1 71 . LEU . 4858 1 72 . GLU . 4858 1 73 . LYS . 4858 1 74 . ALA . 4858 1 75 . LEU . 4858 1 76 . GLU . 4858 1 77 . LEU . 4858 1 78 . THR . 4858 1 79 . GLY . 4858 1 80 . LEU . 4858 1 81 . LYS . 4858 1 82 . VAL . 4858 1 83 . PHE . 4858 1 84 . GLY . 4858 1 85 . ASN . 4858 1 86 . GLU . 4858 1 87 . ILE . 4858 1 88 . LYS . 4858 1 89 . LEU . 4858 1 90 . GLU . 4858 1 91 . LYS . 4858 1 92 . PRO . 4858 1 93 . LYS . 4858 1 94 . GLY . 4858 1 95 . ARG . 4858 1 96 . ASP . 4858 1 97 . GLY . 4858 1 98 . THR . 4858 1 99 . ARG . 4858 1 100 . GLY . 4858 1 101 . CYS . 4858 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 . GLY 1 1 4858 1 . SER 2 2 4858 1 . HIS 3 3 4858 1 . MET 4 4 4858 1 . LEU 5 5 4858 1 . GLU 6 6 4858 1 . ASP 7 7 4858 1 . PRO 8 8 4858 1 . VAL 9 9 4858 1 . GLU 10 10 4858 1 . GLY 11 11 4858 1 . SER 12 12 4858 1 . GLU 13 13 4858 1 . SER 14 14 4858 1 . THR 15 15 4858 1 . THR 16 16 4858 1 . PRO 17 17 4858 1 . PHE 18 18 4858 1 . ASN 19 19 4858 1 . LEU 20 20 4858 1 . PHE 21 21 4858 1 . ILE 22 22 4858 1 . GLY 23 23 4858 1 . ASN 24 24 4858 1 . LEU 25 25 4858 1 . ASN 26 26 4858 1 . PRO 27 27 4858 1 . ASN 28 28 4858 1 . LYS 29 29 4858 1 . SER 30 30 4858 1 . VAL 31 31 4858 1 . ALA 32 32 4858 1 . GLU 33 33 4858 1 . LEU 34 34 4858 1 . LYS 35 35 4858 1 . VAL 36 36 4858 1 . ALA 37 37 4858 1 . ILE 38 38 4858 1 . SER 39 39 4858 1 . GLU 40 40 4858 1 . LEU 41 41 4858 1 . PHE 42 42 4858 1 . ALA 43 43 4858 1 . LYS 44 44 4858 1 . ASN 45 45 4858 1 . ASP 46 46 4858 1 . LEU 47 47 4858 1 . ALA 48 48 4858 1 . VAL 49 49 4858 1 . VAL 50 50 4858 1 . ASP 51 51 4858 1 . VAL 52 52 4858 1 . ARG 53 53 4858 1 . THR 54 54 4858 1 . GLY 55 55 4858 1 . THR 56 56 4858 1 . ASN 57 57 4858 1 . ARG 58 58 4858 1 . LYS 59 59 4858 1 . PHE 60 60 4858 1 . GLY 61 61 4858 1 . TYR 62 62 4858 1 . VAL 63 63 4858 1 . ASP 64 64 4858 1 . PHE 65 65 4858 1 . GLU 66 66 4858 1 . SER 67 67 4858 1 . ALA 68 68 4858 1 . GLU 69 69 4858 1 . ASP 70 70 4858 1 . LEU 71 71 4858 1 . GLU 72 72 4858 1 . LYS 73 73 4858 1 . ALA 74 74 4858 1 . LEU 75 75 4858 1 . GLU 76 76 4858 1 . LEU 77 77 4858 1 . THR 78 78 4858 1 . GLY 79 79 4858 1 . LEU 80 80 4858 1 . LYS 81 81 4858 1 . VAL 82 82 4858 1 . PHE 83 83 4858 1 . GLY 84 84 4858 1 . ASN 85 85 4858 1 . GLU 86 86 4858 1 . ILE 87 87 4858 1 . LYS 88 88 4858 1 . LEU 89 89 4858 1 . GLU 90 90 4858 1 . LYS 91 91 4858 1 . PRO 92 92 4858 1 . LYS 93 93 4858 1 . GLY 94 94 4858 1 . ARG 95 95 4858 1 . ASP 96 96 4858 1 . GLY 97 97 4858 1 . THR 98 98 4858 1 . ARG 99 99 4858 1 . GLY 100 100 4858 1 . CYS 101 101 4858 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 4858 _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 $rbd1 . 10036 . . 'Mesocricetus auratus' 'golden hamster' . . Eukaryota Metazoa Mesocricetus auratus . . . . . . . . . . . . . . . . . . . . . 4858 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 4858 _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 $rbd1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3)PLYSS . . . . . . 4858 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4858 _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 'NUCLEOLIN RBD1' '[U-15N; U-13C]' . . 1 $rbd1 . . 1 . . mM . . . . 4858 1 2 'potasium phosphate' . . . . . . . 50 . . mM . . . . 4858 1 3 KCl . . . . . . . 100 . . mM . . . . 4858 1 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 4858 1 5 H2O . . . . . . . 90 . . % . . . . 4858 1 6 D2O . . . . . . . 10 . . % . . . . 4858 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4858 _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 'ionic strength' 150 . mM 4858 1 pH 6.2 0.1 n/a 4858 1 temperature 293 1 K 4858 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4858 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.841 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4858 1 'structure solution' 4858 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4858 _Software.ID 2 _Software.Name DYANA _Software.Version 1 _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4858 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4858 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4858 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 4858 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 4858 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4858 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4858 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4858 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4858 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4858 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4858 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4858 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4858 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4858 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4858 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4858 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4858 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 4858 1 2 . 1 1 1 1 GLY HA2 H 1 3.87 0.02 . 1 . . . . . . . . 4858 1 3 . 1 1 1 1 GLY HA3 H 1 3.87 0.02 . 1 . . . . . . . . 4858 1 4 . 1 1 1 1 GLY CA C 13 42.2 0.1 . 1 . . . . . . . . 4858 1 5 . 1 1 1 1 GLY N N 15 109.0 0.1 . 1 . . . . . . . . 4858 1 6 . 1 1 2 2 SER H H 1 8.05 0.02 . 1 . . . . . . . . 4858 1 7 . 1 1 2 2 SER HA H 1 4.03 0.02 . 1 . . . . . . . . 4858 1 8 . 1 1 2 2 SER HB2 H 1 3.92 0.02 . 1 . . . . . . . . 4858 1 9 . 1 1 2 2 SER HB3 H 1 3.92 0.02 . 1 . . . . . . . . 4858 1 10 . 1 1 2 2 SER CA C 13 54.6 0.1 . 1 . . . . . . . . 4858 1 11 . 1 1 2 2 SER CB C 13 63.0 0.1 . 1 . . . . . . . . 4858 1 12 . 1 1 2 2 SER N N 15 114.5 0.1 . 1 . . . . . . . . 4858 1 13 . 1 1 3 3 HIS H H 1 8.67 0.02 . 1 . . . . . . . . 4858 1 14 . 1 1 3 3 HIS HA H 1 4.60 0.02 . 1 . . . . . . . . 4858 1 15 . 1 1 3 3 HIS HB2 H 1 3.15 0.02 . 2 . . . . . . . . 4858 1 16 . 1 1 3 3 HIS HB3 H 1 3.05 0.02 . 2 . . . . . . . . 4858 1 17 . 1 1 3 3 HIS HD1 H 1 7.14 0.02 . 1 . . . . . . . . 4858 1 18 . 1 1 3 3 HIS HE1 H 1 8.22 0.02 . 1 . . . . . . . . 4858 1 19 . 1 1 3 3 HIS CA C 13 53.5 0.1 . 1 . . . . . . . . 4858 1 20 . 1 1 3 3 HIS CB C 13 27.2 0.1 . 1 . . . . . . . . 4858 1 21 . 1 1 3 3 HIS CD2 C 13 117.7 0.1 . 1 . . . . . . . . 4858 1 22 . 1 1 3 3 HIS CE1 C 13 134.8 0.1 . 1 . . . . . . . . 4858 1 23 . 1 1 3 3 HIS N N 15 120.3 0.1 . 1 . . . . . . . . 4858 1 24 . 1 1 4 4 MET H H 1 8.39 0.02 . 1 . . . . . . . . 4858 1 25 . 1 1 4 4 MET HA H 1 4.34 0.02 . 1 . . . . . . . . 4858 1 26 . 1 1 4 4 MET HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4858 1 27 . 1 1 4 4 MET HB3 H 1 1.93 0.02 . 1 . . . . . . . . 4858 1 28 . 1 1 4 4 MET HG2 H 1 2.45 0.02 . 1 . . . . . . . . 4858 1 29 . 1 1 4 4 MET HG3 H 1 2.45 0.02 . 1 . . . . . . . . 4858 1 30 . 1 1 4 4 MET HE1 H 1 2.02 0.02 . 1 . . . . . . . . 4858 1 31 . 1 1 4 4 MET HE2 H 1 2.02 0.02 . 1 . . . . . . . . 4858 1 32 . 1 1 4 4 MET HE3 H 1 2.02 0.02 . 1 . . . . . . . . 4858 1 33 . 1 1 4 4 MET CA C 13 53.3 0.1 . 1 . . . . . . . . 4858 1 34 . 1 1 4 4 MET CB C 13 30.0 0.1 . 1 . . . . . . . . 4858 1 35 . 1 1 4 4 MET CG C 13 28.9 0.1 . 1 . . . . . . . . 4858 1 36 . 1 1 4 4 MET CE C 13 14.5 0.1 . 1 . . . . . . . . 4858 1 37 . 1 1 4 4 MET N N 15 121.1 0.1 . 1 . . . . . . . . 4858 1 38 . 1 1 5 5 LEU H H 1 8.29 0.02 . 1 . . . . . . . . 4858 1 39 . 1 1 5 5 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 4858 1 40 . 1 1 5 5 LEU HB2 H 1 1.53 0.02 . 1 . . . . . . . . 4858 1 41 . 1 1 5 5 LEU HB3 H 1 1.53 0.02 . 1 . . . . . . . . 4858 1 42 . 1 1 5 5 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 4858 1 43 . 1 1 5 5 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4858 1 44 . 1 1 5 5 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4858 1 45 . 1 1 5 5 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4858 1 46 . 1 1 5 5 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 4858 1 47 . 1 1 5 5 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 4858 1 48 . 1 1 5 5 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 4858 1 49 . 1 1 5 5 LEU CA C 13 53.1 0.1 . 1 . . . . . . . . 4858 1 50 . 1 1 5 5 LEU CB C 13 39.3 0.1 . 1 . . . . . . . . 4858 1 51 . 1 1 5 5 LEU CG C 13 25.8 0.1 . 1 . . . . . . . . 4858 1 52 . 1 1 5 5 LEU CD1 C 13 21.5 0.1 . 1 . . . . . . . . 4858 1 53 . 1 1 5 5 LEU CD2 C 13 20.6 0.1 . 1 . . . . . . . . 4858 1 54 . 1 1 5 5 LEU N N 15 122.4 0.1 . 1 . . . . . . . . 4858 1 55 . 1 1 6 6 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 4858 1 56 . 1 1 6 6 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 4858 1 57 . 1 1 6 6 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4858 1 58 . 1 1 6 6 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4858 1 59 . 1 1 6 6 GLU HG2 H 1 2.14 0.02 . 1 . . . . . . . . 4858 1 60 . 1 1 6 6 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . 4858 1 61 . 1 1 6 6 GLU CA C 13 53.8 0.1 . 1 . . . . . . . . 4858 1 62 . 1 1 6 6 GLU CB C 13 27.2 0.1 . 1 . . . . . . . . 4858 1 63 . 1 1 6 6 GLU CG C 13 33.0 0.1 . 1 . . . . . . . . 4858 1 64 . 1 1 6 6 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 4858 1 65 . 1 1 7 7 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 4858 1 66 . 1 1 7 7 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 4858 1 67 . 1 1 7 7 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 4858 1 68 . 1 1 7 7 ASP HB3 H 1 2.41 0.02 . 2 . . . . . . . . 4858 1 69 . 1 1 7 7 ASP CA C 13 50.3 0.1 . 1 . . . . . . . . 4858 1 70 . 1 1 7 7 ASP CB C 13 37.8 0.1 . 1 . . . . . . . . 4858 1 71 . 1 1 7 7 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 4858 1 72 . 1 1 8 8 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 4858 1 73 . 1 1 8 8 PRO HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4858 1 74 . 1 1 8 8 PRO HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4858 1 75 . 1 1 8 8 PRO HG2 H 1 1.93 0.02 . 1 . . . . . . . . 4858 1 76 . 1 1 8 8 PRO HG3 H 1 1.93 0.02 . 1 . . . . . . . . 4858 1 77 . 1 1 8 8 PRO HD2 H 1 3.76 0.02 . 2 . . . . . . . . 4858 1 78 . 1 1 8 8 PRO HD3 H 1 3.66 0.02 . 2 . . . . . . . . 4858 1 79 . 1 1 8 8 PRO CA C 13 60.9 0.1 . 1 . . . . . . . . 4858 1 80 . 1 1 8 8 PRO CB C 13 29.3 0.1 . 1 . . . . . . . . 4858 1 81 . 1 1 8 8 PRO CG C 13 24.1 0.1 . 1 . . . . . . . . 4858 1 82 . 1 1 8 8 PRO CD C 13 48.1 0.1 . 1 . . . . . . . . 4858 1 83 . 1 1 9 9 VAL H H 1 8.31 0.02 . 1 . . . . . . . . 4858 1 84 . 1 1 9 9 VAL HA H 1 3.99 0.02 . 1 . . . . . . . . 4858 1 85 . 1 1 9 9 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4858 1 86 . 1 1 9 9 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 87 . 1 1 9 9 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 88 . 1 1 9 9 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 89 . 1 1 9 9 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 90 . 1 1 9 9 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 91 . 1 1 9 9 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 92 . 1 1 9 9 VAL CA C 13 60.9 0.1 . 1 . . . . . . . . 4858 1 93 . 1 1 9 9 VAL CB C 13 29.7 0.1 . 1 . . . . . . . . 4858 1 94 . 1 1 9 9 VAL CG1 C 13 18.2 0.1 . 1 . . . . . . . . 4858 1 95 . 1 1 9 9 VAL CG2 C 13 18.2 0.1 . 1 . . . . . . . . 4858 1 96 . 1 1 9 9 VAL N N 15 120.4 0.1 . 1 . . . . . . . . 4858 1 97 . 1 1 10 10 GLU H H 1 8.50 0.02 . 1 . . . . . . . . 4858 1 98 . 1 1 10 10 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4858 1 99 . 1 1 10 10 GLU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4858 1 100 . 1 1 10 10 GLU HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4858 1 101 . 1 1 10 10 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 4858 1 102 . 1 1 10 10 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 4858 1 103 . 1 1 10 10 GLU CA C 13 54.4 0.1 . 1 . . . . . . . . 4858 1 104 . 1 1 10 10 GLU CB C 13 27.7 0.1 . 1 . . . . . . . . 4858 1 105 . 1 1 10 10 GLU CG C 13 32.7 0.1 . 1 . . . . . . . . 4858 1 106 . 1 1 10 10 GLU N N 15 123.8 0.1 . 1 . . . . . . . . 4858 1 107 . 1 1 11 11 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 4858 1 108 . 1 1 11 11 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . 4858 1 109 . 1 1 11 11 GLY HA3 H 1 3.88 0.02 . 1 . . . . . . . . 4858 1 110 . 1 1 11 11 GLY CA C 13 43.2 0.1 . 1 . . . . . . . . 4858 1 111 . 1 1 11 11 GLY N N 15 110.1 0.1 . 1 . . . . . . . . 4858 1 112 . 1 1 12 12 SER H H 1 8.09 0.02 . 1 . . . . . . . . 4858 1 113 . 1 1 12 12 SER HA H 1 4.21 0.02 . 1 . . . . . . . . 4858 1 114 . 1 1 12 12 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 4858 1 115 . 1 1 12 12 SER HB3 H 1 3.71 0.02 . 1 . . . . . . . . 4858 1 116 . 1 1 12 12 SER CA C 13 55.9 0.1 . 1 . . . . . . . . 4858 1 117 . 1 1 12 12 SER CB C 13 61.3 0.1 . 1 . . . . . . . . 4858 1 118 . 1 1 12 12 SER N N 15 114.5 0.1 . 1 . . . . . . . . 4858 1 119 . 1 1 13 13 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 4858 1 120 . 1 1 13 13 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 4858 1 121 . 1 1 13 13 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4858 1 122 . 1 1 13 13 GLU HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4858 1 123 . 1 1 13 13 GLU HG2 H 1 2.14 0.02 . 1 . . . . . . . . 4858 1 124 . 1 1 13 13 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . 4858 1 125 . 1 1 13 13 GLU CA C 13 54.0 0.1 . 1 . . . . . . . . 4858 1 126 . 1 1 13 13 GLU CB C 13 27.2 0.1 . 1 . . . . . . . . 4858 1 127 . 1 1 13 13 GLU CG C 13 32.8 0.1 . 1 . . . . . . . . 4858 1 128 . 1 1 13 13 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 4858 1 129 . 1 1 14 14 SER H H 1 8.09 0.02 . 1 . . . . . . . . 4858 1 130 . 1 1 14 14 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 4858 1 131 . 1 1 14 14 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 4858 1 132 . 1 1 14 14 SER HB3 H 1 3.70 0.02 . 2 . . . . . . . . 4858 1 133 . 1 1 14 14 SER CA C 13 55.6 0.1 . 1 . . . . . . . . 4858 1 134 . 1 1 14 14 SER CB C 13 61.4 0.1 . 1 . . . . . . . . 4858 1 135 . 1 1 14 14 SER N N 15 115.5 0.1 . 1 . . . . . . . . 4858 1 136 . 1 1 15 15 THR H H 1 8.80 0.02 . 1 . . . . . . . . 4858 1 137 . 1 1 15 15 THR HA H 1 4.23 0.02 . 1 . . . . . . . . 4858 1 138 . 1 1 15 15 THR HB H 1 4.13 0.02 . 1 . . . . . . . . 4858 1 139 . 1 1 15 15 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 4858 1 140 . 1 1 15 15 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 4858 1 141 . 1 1 15 15 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 4858 1 142 . 1 1 15 15 THR CA C 13 55.1 0.1 . 1 . . . . . . . . 4858 1 143 . 1 1 15 15 THR CB C 13 66.2 0.1 . 1 . . . . . . . . 4858 1 144 . 1 1 15 15 THR CG2 C 13 18.9 0.1 . 1 . . . . . . . . 4858 1 145 . 1 1 15 15 THR N N 15 115.0 0.1 . 1 . . . . . . . . 4858 1 146 . 1 1 16 16 THR H H 1 7.50 0.02 . 1 . . . . . . . . 4858 1 147 . 1 1 16 16 THR HA H 1 4.71 0.02 . 1 . . . . . . . . 4858 1 148 . 1 1 16 16 THR HB H 1 4.48 0.02 . 1 . . . . . . . . 4858 1 149 . 1 1 16 16 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 4858 1 150 . 1 1 16 16 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 4858 1 151 . 1 1 16 16 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 4858 1 152 . 1 1 16 16 THR CA C 13 55.1 0.1 . 1 . . . . . . . . 4858 1 153 . 1 1 16 16 THR CB C 13 67.0 0.1 . 1 . . . . . . . . 4858 1 154 . 1 1 16 16 THR CG2 C 13 18.9 0.1 . 1 . . . . . . . . 4858 1 155 . 1 1 17 17 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 4858 1 156 . 1 1 17 17 PRO HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4858 1 157 . 1 1 17 17 PRO HB3 H 1 0.91 0.02 . 2 . . . . . . . . 4858 1 158 . 1 1 17 17 PRO HG2 H 1 1.51 0.02 . 2 . . . . . . . . 4858 1 159 . 1 1 17 17 PRO HG3 H 1 0.95 0.02 . 2 . . . . . . . . 4858 1 160 . 1 1 17 17 PRO HD2 H 1 3.51 0.02 . 2 . . . . . . . . 4858 1 161 . 1 1 17 17 PRO HD3 H 1 3.15 0.02 . 2 . . . . . . . . 4858 1 162 . 1 1 17 17 PRO CA C 13 60.0 0.1 . 1 . . . . . . . . 4858 1 163 . 1 1 17 17 PRO CB C 13 28.7 0.1 . 1 . . . . . . . . 4858 1 164 . 1 1 17 17 PRO CG C 13 23.3 0.1 . 1 . . . . . . . . 4858 1 165 . 1 1 17 17 PRO CD C 13 47.6 0.1 . 1 . . . . . . . . 4858 1 166 . 1 1 18 18 PHE H H 1 7.60 0.02 . 1 . . . . . . . . 4858 1 167 . 1 1 18 18 PHE HA H 1 4.84 0.02 . 1 . . . . . . . . 4858 1 168 . 1 1 18 18 PHE HB2 H 1 3.08 0.02 . 2 . . . . . . . . 4858 1 169 . 1 1 18 18 PHE HB3 H 1 2.80 0.02 . 2 . . . . . . . . 4858 1 170 . 1 1 18 18 PHE HD1 H 1 7.10 0.02 . 1 . . . . . . . . 4858 1 171 . 1 1 18 18 PHE HD2 H 1 7.10 0.02 . 1 . . . . . . . . 4858 1 172 . 1 1 18 18 PHE HE1 H 1 7.34 0.02 . 1 . . . . . . . . 4858 1 173 . 1 1 18 18 PHE HE2 H 1 7.34 0.02 . 1 . . . . . . . . 4858 1 174 . 1 1 18 18 PHE HZ H 1 7.34 0.02 . 1 . . . . . . . . 4858 1 175 . 1 1 18 18 PHE CA C 13 52.0 0.1 . 1 . . . . . . . . 4858 1 176 . 1 1 18 18 PHE CB C 13 34.8 0.1 . 1 . . . . . . . . 4858 1 177 . 1 1 18 18 PHE N N 15 119.6 0.1 . 1 . . . . . . . . 4858 1 178 . 1 1 19 19 ASN H H 1 7.96 0.02 . 1 . . . . . . . . 4858 1 179 . 1 1 19 19 ASN HA H 1 6.05 0.02 . 1 . . . . . . . . 4858 1 180 . 1 1 19 19 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4858 1 181 . 1 1 19 19 ASN HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4858 1 182 . 1 1 19 19 ASN HD21 H 1 7.40 0.02 . 1 . . . . . . . . 4858 1 183 . 1 1 19 19 ASN HD22 H 1 6.84 0.02 . 1 . . . . . . . . 4858 1 184 . 1 1 19 19 ASN CA C 13 48.5 0.1 . 1 . . . . . . . . 4858 1 185 . 1 1 19 19 ASN CB C 13 39.9 0.1 . 1 . . . . . . . . 4858 1 186 . 1 1 19 19 ASN N N 15 119.1 0.1 . 1 . . . . . . . . 4858 1 187 . 1 1 19 19 ASN ND2 N 15 112.0 0.1 . 1 . . . . . . . . 4858 1 188 . 1 1 20 20 LEU H H 1 9.24 0.02 . 1 . . . . . . . . 4858 1 189 . 1 1 20 20 LEU HA H 1 5.00 0.02 . 1 . . . . . . . . 4858 1 190 . 1 1 20 20 LEU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 4858 1 191 . 1 1 20 20 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 4858 1 192 . 1 1 20 20 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 4858 1 193 . 1 1 20 20 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 4858 1 194 . 1 1 20 20 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 4858 1 195 . 1 1 20 20 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 4858 1 196 . 1 1 20 20 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 4858 1 197 . 1 1 20 20 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 4858 1 198 . 1 1 20 20 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 4858 1 199 . 1 1 20 20 LEU CA C 13 50.8 0.1 . 1 . . . . . . . . 4858 1 200 . 1 1 20 20 LEU CB C 13 43.0 0.1 . 1 . . . . . . . . 4858 1 201 . 1 1 20 20 LEU CG C 13 23.6 0.1 . 1 . . . . . . . . 4858 1 202 . 1 1 20 20 LEU CD1 C 13 22.0 0.1 . 2 . . . . . . . . 4858 1 203 . 1 1 20 20 LEU CD2 C 13 23.4 0.1 . 2 . . . . . . . . 4858 1 204 . 1 1 20 20 LEU N N 15 118.1 0.1 . 1 . . . . . . . . 4858 1 205 . 1 1 21 21 PHE H H 1 9.00 0.02 . 1 . . . . . . . . 4858 1 206 . 1 1 21 21 PHE HA H 1 4.65 0.02 . 1 . . . . . . . . 4858 1 207 . 1 1 21 21 PHE HB2 H 1 2.97 0.02 . 2 . . . . . . . . 4858 1 208 . 1 1 21 21 PHE HB3 H 1 2.82 0.02 . 2 . . . . . . . . 4858 1 209 . 1 1 21 21 PHE HD1 H 1 6.80 0.02 . 1 . . . . . . . . 4858 1 210 . 1 1 21 21 PHE HD2 H 1 6.80 0.02 . 1 . . . . . . . . 4858 1 211 . 1 1 21 21 PHE HE1 H 1 6.91 0.02 . 1 . . . . . . . . 4858 1 212 . 1 1 21 21 PHE HE2 H 1 6.91 0.02 . 1 . . . . . . . . 4858 1 213 . 1 1 21 21 PHE HZ H 1 6.99 0.02 . 1 . . . . . . . . 4858 1 214 . 1 1 21 21 PHE CA C 13 54.4 0.1 . 1 . . . . . . . . 4858 1 215 . 1 1 21 21 PHE CB C 13 37.8 0.1 . 1 . . . . . . . . 4858 1 216 . 1 1 21 21 PHE N N 15 122.8 0.1 . 1 . . . . . . . . 4858 1 217 . 1 1 22 22 ILE H H 1 8.14 0.02 . 1 . . . . . . . . 4858 1 218 . 1 1 22 22 ILE HA H 1 4.86 0.02 . 1 . . . . . . . . 4858 1 219 . 1 1 22 22 ILE HB H 1 1.19 0.02 . 1 . . . . . . . . 4858 1 220 . 1 1 22 22 ILE HG12 H 1 1.44 0.02 . 2 . . . . . . . . 4858 1 221 . 1 1 22 22 ILE HG13 H 1 0.79 0.02 . 2 . . . . . . . . 4858 1 222 . 1 1 22 22 ILE HG21 H 1 0.60 0.02 . 1 . . . . . . . . 4858 1 223 . 1 1 22 22 ILE HG22 H 1 0.60 0.02 . 1 . . . . . . . . 4858 1 224 . 1 1 22 22 ILE HG23 H 1 0.60 0.02 . 1 . . . . . . . . 4858 1 225 . 1 1 22 22 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 4858 1 226 . 1 1 22 22 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 4858 1 227 . 1 1 22 22 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 4858 1 228 . 1 1 22 22 ILE CA C 13 55.0 0.1 . 1 . . . . . . . . 4858 1 229 . 1 1 22 22 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 4858 1 230 . 1 1 22 22 ILE CG1 C 13 24.1 0.1 . 1 . . . . . . . . 4858 1 231 . 1 1 22 22 ILE CG2 C 13 13.3 0.1 . 1 . . . . . . . . 4858 1 232 . 1 1 22 22 ILE CD1 C 13 11.6 0.1 . 1 . . . . . . . . 4858 1 233 . 1 1 22 22 ILE N N 15 125.2 0.1 . 1 . . . . . . . . 4858 1 234 . 1 1 23 23 GLY H H 1 9.00 0.02 . 1 . . . . . . . . 4858 1 235 . 1 1 23 23 GLY HA2 H 1 4.54 0.02 . 2 . . . . . . . . 4858 1 236 . 1 1 23 23 GLY HA3 H 1 3.69 0.02 . 2 . . . . . . . . 4858 1 237 . 1 1 23 23 GLY CA C 13 40.1 0.1 . 1 . . . . . . . . 4858 1 238 . 1 1 23 23 GLY N N 15 111.3 0.1 . 1 . . . . . . . . 4858 1 239 . 1 1 24 24 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 4858 1 240 . 1 1 24 24 ASN HA H 1 4.50 0.02 . 1 . . . . . . . . 4858 1 241 . 1 1 24 24 ASN HB2 H 1 3.60 0.02 . 2 . . . . . . . . 4858 1 242 . 1 1 24 24 ASN HB3 H 1 2.48 0.02 . 2 . . . . . . . . 4858 1 243 . 1 1 24 24 ASN HD21 H 1 7.89 0.02 . 1 . . . . . . . . 4858 1 244 . 1 1 24 24 ASN HD22 H 1 6.81 0.02 . 1 . . . . . . . . 4858 1 245 . 1 1 24 24 ASN CA C 13 50.8 0.1 . 1 . . . . . . . . 4858 1 246 . 1 1 24 24 ASN CB C 13 35.3 0.1 . 1 . . . . . . . . 4858 1 247 . 1 1 24 24 ASN N N 15 113.4 0.1 . 1 . . . . . . . . 4858 1 248 . 1 1 24 24 ASN ND2 N 15 110.5 0.1 . 1 . . . . . . . . 4858 1 249 . 1 1 25 25 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 4858 1 250 . 1 1 25 25 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4858 1 251 . 1 1 25 25 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 4858 1 252 . 1 1 25 25 LEU HB3 H 1 0.97 0.02 . 2 . . . . . . . . 4858 1 253 . 1 1 25 25 LEU HG H 1 1.13 0.02 . 1 . . . . . . . . 4858 1 254 . 1 1 25 25 LEU HD11 H 1 0.31 0.02 . 2 . . . . . . . . 4858 1 255 . 1 1 25 25 LEU HD12 H 1 0.31 0.02 . 2 . . . . . . . . 4858 1 256 . 1 1 25 25 LEU HD13 H 1 0.31 0.02 . 2 . . . . . . . . 4858 1 257 . 1 1 25 25 LEU HD21 H 1 0.50 0.02 . 2 . . . . . . . . 4858 1 258 . 1 1 25 25 LEU HD22 H 1 0.50 0.02 . 2 . . . . . . . . 4858 1 259 . 1 1 25 25 LEU HD23 H 1 0.50 0.02 . 2 . . . . . . . . 4858 1 260 . 1 1 25 25 LEU CA C 13 51.5 0.1 . 1 . . . . . . . . 4858 1 261 . 1 1 25 25 LEU CB C 13 38.5 0.1 . 1 . . . . . . . . 4858 1 262 . 1 1 25 25 LEU CG C 13 23.9 0.1 . 1 . . . . . . . . 4858 1 263 . 1 1 25 25 LEU CD1 C 13 21.7 0.1 . 2 . . . . . . . . 4858 1 264 . 1 1 25 25 LEU CD2 C 13 19.3 0.1 . 2 . . . . . . . . 4858 1 265 . 1 1 25 25 LEU N N 15 114.7 0.1 . 1 . . . . . . . . 4858 1 266 . 1 1 26 26 ASN H H 1 6.80 0.02 . 1 . . . . . . . . 4858 1 267 . 1 1 26 26 ASN HA H 1 4.75 0.02 . 1 . . . . . . . . 4858 1 268 . 1 1 26 26 ASN HB2 H 1 2.88 0.02 . 2 . . . . . . . . 4858 1 269 . 1 1 26 26 ASN HB3 H 1 2.52 0.02 . 2 . . . . . . . . 4858 1 270 . 1 1 26 26 ASN HD21 H 1 7.60 0.02 . 1 . . . . . . . . 4858 1 271 . 1 1 26 26 ASN HD22 H 1 7.20 0.02 . 1 . . . . . . . . 4858 1 272 . 1 1 26 26 ASN CA C 13 47.6 0.1 . 1 . . . . . . . . 4858 1 273 . 1 1 26 26 ASN CB C 13 36.0 0.1 . 1 . . . . . . . . 4858 1 274 . 1 1 26 26 ASN N N 15 117.5 0.1 . 1 . . . . . . . . 4858 1 275 . 1 1 26 26 ASN ND2 N 15 110.5 0.1 . 1 . . . . . . . . 4858 1 276 . 1 1 27 27 PRO HA H 1 4.51 0.02 . 1 . . . . . . . . 4858 1 277 . 1 1 27 27 PRO HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4858 1 278 . 1 1 27 27 PRO HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4858 1 279 . 1 1 27 27 PRO HG2 H 1 1.84 0.02 . 2 . . . . . . . . 4858 1 280 . 1 1 27 27 PRO HG3 H 1 1.73 0.02 . 2 . . . . . . . . 4858 1 281 . 1 1 27 27 PRO HD2 H 1 4.08 0.02 . 2 . . . . . . . . 4858 1 282 . 1 1 27 27 PRO HD3 H 1 3.79 0.02 . 2 . . . . . . . . 4858 1 283 . 1 1 27 27 PRO CA C 13 60.9 0.1 . 1 . . . . . . . . 4858 1 284 . 1 1 27 27 PRO CB C 13 29.5 0.1 . 1 . . . . . . . . 4858 1 285 . 1 1 27 27 PRO CG C 13 23.6 0.1 . 1 . . . . . . . . 4858 1 286 . 1 1 27 27 PRO CD C 13 47.1 0.1 . 1 . . . . . . . . 4858 1 287 . 1 1 28 28 ASN H H 1 8.18 0.02 . 1 . . . . . . . . 4858 1 288 . 1 1 28 28 ASN HA H 1 4.51 0.02 . 1 . . . . . . . . 4858 1 289 . 1 1 28 28 ASN HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4858 1 290 . 1 1 28 28 ASN HB3 H 1 2.60 0.02 . 2 . . . . . . . . 4858 1 291 . 1 1 28 28 ASN HD21 H 1 7.58 0.02 . 1 . . . . . . . . 4858 1 292 . 1 1 28 28 ASN HD22 H 1 7.03 0.02 . 1 . . . . . . . . 4858 1 293 . 1 1 28 28 ASN CA C 13 50.7 0.1 . 1 . . . . . . . . 4858 1 294 . 1 1 28 28 ASN CB C 13 35.3 0.1 . 1 . . . . . . . . 4858 1 295 . 1 1 28 28 ASN N N 15 117.9 0.1 . 1 . . . . . . . . 4858 1 296 . 1 1 28 28 ASN ND2 N 15 114.2 0.1 . 1 . . . . . . . . 4858 1 297 . 1 1 29 29 LYS H H 1 7.08 0.02 . 1 . . . . . . . . 4858 1 298 . 1 1 29 29 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 4858 1 299 . 1 1 29 29 LYS HB2 H 1 1.48 0.02 . 2 . . . . . . . . 4858 1 300 . 1 1 29 29 LYS HB3 H 1 1.37 0.02 . 2 . . . . . . . . 4858 1 301 . 1 1 29 29 LYS HG2 H 1 0.68 0.02 . 2 . . . . . . . . 4858 1 302 . 1 1 29 29 LYS HG3 H 1 0.39 0.02 . 2 . . . . . . . . 4858 1 303 . 1 1 29 29 LYS HD2 H 1 1.14 0.02 . 2 . . . . . . . . 4858 1 304 . 1 1 29 29 LYS HD3 H 1 0.70 0.02 . 2 . . . . . . . . 4858 1 305 . 1 1 29 29 LYS HE2 H 1 2.00 0.02 . 2 . . . . . . . . 4858 1 306 . 1 1 29 29 LYS HE3 H 1 1.83 0.02 . 2 . . . . . . . . 4858 1 307 . 1 1 29 29 LYS CA C 13 49.2 0.1 . 1 . . . . . . . . 4858 1 308 . 1 1 29 29 LYS CB C 13 29.3 0.1 . 1 . . . . . . . . 4858 1 309 . 1 1 29 29 LYS CG C 13 20.3 0.1 . 1 . . . . . . . . 4858 1 310 . 1 1 29 29 LYS CD C 13 23.7 0.1 . 1 . . . . . . . . 4858 1 311 . 1 1 29 29 LYS CE C 13 39.0 0.1 . 1 . . . . . . . . 4858 1 312 . 1 1 29 29 LYS N N 15 118.8 0.1 . 1 . . . . . . . . 4858 1 313 . 1 1 30 30 SER H H 1 8.80 0.02 . 1 . . . . . . . . 4858 1 314 . 1 1 30 30 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4858 1 315 . 1 1 30 30 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 4858 1 316 . 1 1 30 30 SER HB3 H 1 4.30 0.02 . 2 . . . . . . . . 4858 1 317 . 1 1 30 30 SER CA C 13 55.0 0.1 . 1 . . . . . . . . 4858 1 318 . 1 1 30 30 SER CB C 13 62.2 0.1 . 1 . . . . . . . . 4858 1 319 . 1 1 30 30 SER N N 15 115.5 0.1 . 1 . . . . . . . . 4858 1 320 . 1 1 31 31 VAL H H 1 8.64 0.02 . 1 . . . . . . . . 4858 1 321 . 1 1 31 31 VAL HA H 1 3.39 0.02 . 1 . . . . . . . . 4858 1 322 . 1 1 31 31 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 4858 1 323 . 1 1 31 31 VAL HG11 H 1 1.04 0.02 . 2 . . . . . . . . 4858 1 324 . 1 1 31 31 VAL HG12 H 1 1.04 0.02 . 2 . . . . . . . . 4858 1 325 . 1 1 31 31 VAL HG13 H 1 1.04 0.02 . 2 . . . . . . . . 4858 1 326 . 1 1 31 31 VAL HG21 H 1 0.93 0.02 . 2 . . . . . . . . 4858 1 327 . 1 1 31 31 VAL HG22 H 1 0.93 0.02 . 2 . . . . . . . . 4858 1 328 . 1 1 31 31 VAL HG23 H 1 0.93 0.02 . 2 . . . . . . . . 4858 1 329 . 1 1 31 31 VAL CA C 13 64.8 0.1 . 1 . . . . . . . . 4858 1 330 . 1 1 31 31 VAL CB C 13 29.0 0.1 . 1 . . . . . . . . 4858 1 331 . 1 1 31 31 VAL CG1 C 13 20.2 0.1 . 2 . . . . . . . . 4858 1 332 . 1 1 31 31 VAL CG2 C 13 18.1 0.1 . 2 . . . . . . . . 4858 1 333 . 1 1 31 31 VAL N N 15 119.5 0.1 . 1 . . . . . . . . 4858 1 334 . 1 1 32 32 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 4858 1 335 . 1 1 32 32 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 4858 1 336 . 1 1 32 32 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 4858 1 337 . 1 1 32 32 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4858 1 338 . 1 1 32 32 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4858 1 339 . 1 1 32 32 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 4858 1 340 . 1 1 32 32 ALA CB C 13 15.3 0.1 . 1 . . . . . . . . 4858 1 341 . 1 1 32 32 ALA N N 15 119.6 0.1 . 1 . . . . . . . . 4858 1 342 . 1 1 33 33 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4858 1 343 . 1 1 33 33 GLU HA H 1 3.97 0.02 . 1 . . . . . . . . 4858 1 344 . 1 1 33 33 GLU HB2 H 1 2.28 0.02 . 1 . . . . . . . . 4858 1 345 . 1 1 33 33 GLU HB3 H 1 2.28 0.02 . 1 . . . . . . . . 4858 1 346 . 1 1 33 33 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 4858 1 347 . 1 1 33 33 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 4858 1 348 . 1 1 33 33 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 4858 1 349 . 1 1 33 33 GLU CB C 13 27.2 0.1 . 1 . . . . . . . . 4858 1 350 . 1 1 33 33 GLU CG C 13 34.7 0.1 . 1 . . . . . . . . 4858 1 351 . 1 1 33 33 GLU N N 15 116.6 0.1 . 1 . . . . . . . . 4858 1 352 . 1 1 34 34 LEU H H 1 8.57 0.02 . 1 . . . . . . . . 4858 1 353 . 1 1 34 34 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 4858 1 354 . 1 1 34 34 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4858 1 355 . 1 1 34 34 LEU HB3 H 1 1.06 0.02 . 2 . . . . . . . . 4858 1 356 . 1 1 34 34 LEU HG H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 357 . 1 1 34 34 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 4858 1 358 . 1 1 34 34 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 4858 1 359 . 1 1 34 34 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 4858 1 360 . 1 1 34 34 LEU HD21 H 1 0.75 0.02 . 2 . . . . . . . . 4858 1 361 . 1 1 34 34 LEU HD22 H 1 0.75 0.02 . 2 . . . . . . . . 4858 1 362 . 1 1 34 34 LEU HD23 H 1 0.75 0.02 . 2 . . . . . . . . 4858 1 363 . 1 1 34 34 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 4858 1 364 . 1 1 34 34 LEU CB C 13 39.4 0.1 . 1 . . . . . . . . 4858 1 365 . 1 1 34 34 LEU CG C 13 24.0 0.1 . 1 . . . . . . . . 4858 1 366 . 1 1 34 34 LEU CD1 C 13 20.3 0.1 . 2 . . . . . . . . 4858 1 367 . 1 1 34 34 LEU CD2 C 13 22.1 0.1 . 2 . . . . . . . . 4858 1 368 . 1 1 34 34 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 4858 1 369 . 1 1 35 35 LYS H H 1 8.64 0.02 . 1 . . . . . . . . 4858 1 370 . 1 1 35 35 LYS HA H 1 3.62 0.02 . 1 . . . . . . . . 4858 1 371 . 1 1 35 35 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4858 1 372 . 1 1 35 35 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4858 1 373 . 1 1 35 35 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 4858 1 374 . 1 1 35 35 LYS HG3 H 1 1.10 0.02 . 2 . . . . . . . . 4858 1 375 . 1 1 35 35 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 4858 1 376 . 1 1 35 35 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 4858 1 377 . 1 1 35 35 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 4858 1 378 . 1 1 35 35 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 4858 1 379 . 1 1 35 35 LYS CA C 13 58.9 0.1 . 1 . . . . . . . . 4858 1 380 . 1 1 35 35 LYS CB C 13 29.2 0.1 . 1 . . . . . . . . 4858 1 381 . 1 1 35 35 LYS CG C 13 23.2 0.1 . 1 . . . . . . . . 4858 1 382 . 1 1 35 35 LYS CD C 13 26.9 0.1 . 1 . . . . . . . . 4858 1 383 . 1 1 35 35 LYS CE C 13 38.9 0.1 . 1 . . . . . . . . 4858 1 384 . 1 1 35 35 LYS N N 15 118.0 0.1 . 1 . . . . . . . . 4858 1 385 . 1 1 36 36 VAL H H 1 7.65 0.02 . 1 . . . . . . . . 4858 1 386 . 1 1 36 36 VAL HA H 1 3.65 0.02 . 1 . . . . . . . . 4858 1 387 . 1 1 36 36 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 4858 1 388 . 1 1 36 36 VAL HG11 H 1 1.06 0.02 . 2 . . . . . . . . 4858 1 389 . 1 1 36 36 VAL HG12 H 1 1.06 0.02 . 2 . . . . . . . . 4858 1 390 . 1 1 36 36 VAL HG13 H 1 1.06 0.02 . 2 . . . . . . . . 4858 1 391 . 1 1 36 36 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4858 1 392 . 1 1 36 36 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4858 1 393 . 1 1 36 36 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4858 1 394 . 1 1 36 36 VAL CA C 13 63.8 0.1 . 1 . . . . . . . . 4858 1 395 . 1 1 36 36 VAL CB C 13 29.4 0.1 . 1 . . . . . . . . 4858 1 396 . 1 1 36 36 VAL CG1 C 13 20.1 0.1 . 2 . . . . . . . . 4858 1 397 . 1 1 36 36 VAL CG2 C 13 17.8 0.1 . 2 . . . . . . . . 4858 1 398 . 1 1 36 36 VAL N N 15 118.5 0.1 . 1 . . . . . . . . 4858 1 399 . 1 1 37 37 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 4858 1 400 . 1 1 37 37 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 4858 1 401 . 1 1 37 37 ALA HB1 H 1 1.21 0.02 . 1 . . . . . . . . 4858 1 402 . 1 1 37 37 ALA HB2 H 1 1.21 0.02 . 1 . . . . . . . . 4858 1 403 . 1 1 37 37 ALA HB3 H 1 1.21 0.02 . 1 . . . . . . . . 4858 1 404 . 1 1 37 37 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 4858 1 405 . 1 1 37 37 ALA CB C 13 17.1 0.1 . 1 . . . . . . . . 4858 1 406 . 1 1 37 37 ALA N N 15 120.7 0.1 . 1 . . . . . . . . 4858 1 407 . 1 1 38 38 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 4858 1 408 . 1 1 38 38 ILE HA H 1 3.44 0.02 . 1 . . . . . . . . 4858 1 409 . 1 1 38 38 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 4858 1 410 . 1 1 38 38 ILE HG12 H 1 1.80 0.02 . 2 . . . . . . . . 4858 1 411 . 1 1 38 38 ILE HG13 H 1 0.76 0.02 . 2 . . . . . . . . 4858 1 412 . 1 1 38 38 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 413 . 1 1 38 38 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 414 . 1 1 38 38 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 415 . 1 1 38 38 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 4858 1 416 . 1 1 38 38 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 4858 1 417 . 1 1 38 38 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 4858 1 418 . 1 1 38 38 ILE CA C 13 62.7 0.1 . 1 . . . . . . . . 4858 1 419 . 1 1 38 38 ILE CB C 13 34.9 0.1 . 1 . . . . . . . . 4858 1 420 . 1 1 38 38 ILE CG1 C 13 26.9 0.1 . 1 . . . . . . . . 4858 1 421 . 1 1 38 38 ILE CG2 C 13 15.3 0.1 . 1 . . . . . . . . 4858 1 422 . 1 1 38 38 ILE CD1 C 13 10.7 0.1 . 1 . . . . . . . . 4858 1 423 . 1 1 38 38 ILE N N 15 117.5 0.1 . 1 . . . . . . . . 4858 1 424 . 1 1 39 39 SER H H 1 8.02 0.02 . 1 . . . . . . . . 4858 1 425 . 1 1 39 39 SER HA H 1 4.04 0.02 . 1 . . . . . . . . 4858 1 426 . 1 1 39 39 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 4858 1 427 . 1 1 39 39 SER HB3 H 1 4.00 0.02 . 2 . . . . . . . . 4858 1 428 . 1 1 39 39 SER CA C 13 60.5 0.1 . 1 . . . . . . . . 4858 1 429 . 1 1 39 39 SER CB C 13 59.8 0.1 . 1 . . . . . . . . 4858 1 430 . 1 1 39 39 SER N N 15 114.5 0.1 . 1 . . . . . . . . 4858 1 431 . 1 1 40 40 GLU H H 1 8.66 0.02 . 1 . . . . . . . . 4858 1 432 . 1 1 40 40 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 4858 1 433 . 1 1 40 40 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4858 1 434 . 1 1 40 40 GLU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4858 1 435 . 1 1 40 40 GLU HG2 H 1 2.46 0.02 . 2 . . . . . . . . 4858 1 436 . 1 1 40 40 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 4858 1 437 . 1 1 40 40 GLU CA C 13 57.0 0.1 . 1 . . . . . . . . 4858 1 438 . 1 1 40 40 GLU CB C 13 26.1 0.1 . 1 . . . . . . . . 4858 1 439 . 1 1 40 40 GLU CG C 13 34.0 0.1 . 1 . . . . . . . . 4858 1 440 . 1 1 40 40 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 4858 1 441 . 1 1 41 41 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 4858 1 442 . 1 1 41 41 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 4858 1 443 . 1 1 41 41 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4858 1 444 . 1 1 41 41 LEU HB3 H 1 1.43 0.02 . 2 . . . . . . . . 4858 1 445 . 1 1 41 41 LEU HG H 1 0.91 0.02 . 1 . . . . . . . . 4858 1 446 . 1 1 41 41 LEU HD11 H 1 0.68 0.02 . 2 . . . . . . . . 4858 1 447 . 1 1 41 41 LEU HD12 H 1 0.68 0.02 . 2 . . . . . . . . 4858 1 448 . 1 1 41 41 LEU HD13 H 1 0.68 0.02 . 2 . . . . . . . . 4858 1 449 . 1 1 41 41 LEU HD21 H 1 0.37 0.02 . 2 . . . . . . . . 4858 1 450 . 1 1 41 41 LEU HD22 H 1 0.37 0.02 . 2 . . . . . . . . 4858 1 451 . 1 1 41 41 LEU HD23 H 1 0.37 0.02 . 2 . . . . . . . . 4858 1 452 . 1 1 41 41 LEU CA C 13 55.5 0.1 . 1 . . . . . . . . 4858 1 453 . 1 1 41 41 LEU CB C 13 38.9 0.1 . 1 . . . . . . . . 4858 1 454 . 1 1 41 41 LEU CG C 13 23.0 0.1 . 1 . . . . . . . . 4858 1 455 . 1 1 41 41 LEU CD1 C 13 20.5 0.1 . 1 . . . . . . . . 4858 1 456 . 1 1 41 41 LEU CD2 C 13 22.4 0.1 . 1 . . . . . . . . 4858 1 457 . 1 1 41 41 LEU N N 15 121.0 0.1 . 1 . . . . . . . . 4858 1 458 . 1 1 42 42 PHE H H 1 7.58 0.02 . 1 . . . . . . . . 4858 1 459 . 1 1 42 42 PHE HA H 1 4.14 0.02 . 1 . . . . . . . . 4858 1 460 . 1 1 42 42 PHE HB2 H 1 3.39 0.02 . 2 . . . . . . . . 4858 1 461 . 1 1 42 42 PHE HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4858 1 462 . 1 1 42 42 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 4858 1 463 . 1 1 42 42 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 4858 1 464 . 1 1 42 42 PHE HE1 H 1 7.18 0.02 . 1 . . . . . . . . 4858 1 465 . 1 1 42 42 PHE HE2 H 1 7.18 0.02 . 1 . . . . . . . . 4858 1 466 . 1 1 42 42 PHE HZ H 1 7.16 0.02 . 1 . . . . . . . . 4858 1 467 . 1 1 42 42 PHE CA C 13 61.0 0.1 . 1 . . . . . . . . 4858 1 468 . 1 1 42 42 PHE CB C 13 34.9 0.1 . 1 . . . . . . . . 4858 1 469 . 1 1 42 42 PHE N N 15 115.6 0.1 . 1 . . . . . . . . 4858 1 470 . 1 1 43 43 ALA H H 1 8.53 0.02 . 1 . . . . . . . . 4858 1 471 . 1 1 43 43 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 4858 1 472 . 1 1 43 43 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 4858 1 473 . 1 1 43 43 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4858 1 474 . 1 1 43 43 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4858 1 475 . 1 1 43 43 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 4858 1 476 . 1 1 43 43 ALA CB C 13 15.4 0.1 . 1 . . . . . . . . 4858 1 477 . 1 1 43 43 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 4858 1 478 . 1 1 44 44 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 4858 1 479 . 1 1 44 44 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 4858 1 480 . 1 1 44 44 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4858 1 481 . 1 1 44 44 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4858 1 482 . 1 1 44 44 LYS HG2 H 1 1.53 0.02 . 1 . . . . . . . . 4858 1 483 . 1 1 44 44 LYS HG3 H 1 1.53 0.02 . 1 . . . . . . . . 4858 1 484 . 1 1 44 44 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 4858 1 485 . 1 1 44 44 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 4858 1 486 . 1 1 44 44 LYS HE2 H 1 3.23 0.02 . 1 . . . . . . . . 4858 1 487 . 1 1 44 44 LYS HE3 H 1 3.23 0.02 . 1 . . . . . . . . 4858 1 488 . 1 1 44 44 LYS CA C 13 56.0 0.1 . 1 . . . . . . . . 4858 1 489 . 1 1 44 44 LYS CB C 13 28.9 0.1 . 1 . . . . . . . . 4858 1 490 . 1 1 44 44 LYS CG C 13 21.9 0.1 . 1 . . . . . . . . 4858 1 491 . 1 1 44 44 LYS CD C 13 26.2 0.1 . 1 . . . . . . . . 4858 1 492 . 1 1 44 44 LYS CE C 13 39.0 0.1 . 1 . . . . . . . . 4858 1 493 . 1 1 44 44 LYS N N 15 118.8 0.1 . 1 . . . . . . . . 4858 1 494 . 1 1 45 45 ASN H H 1 7.50 0.02 . 1 . . . . . . . . 4858 1 495 . 1 1 45 45 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 4858 1 496 . 1 1 45 45 ASN HB2 H 1 3.00 0.02 . 2 . . . . . . . . 4858 1 497 . 1 1 45 45 ASN HB3 H 1 2.36 0.02 . 2 . . . . . . . . 4858 1 498 . 1 1 45 45 ASN HD21 H 1 7.32 0.02 . 1 . . . . . . . . 4858 1 499 . 1 1 45 45 ASN HD22 H 1 7.27 0.02 . 1 . . . . . . . . 4858 1 500 . 1 1 45 45 ASN CA C 13 51.4 0.1 . 1 . . . . . . . . 4858 1 501 . 1 1 45 45 ASN CB C 13 37.7 0.1 . 1 . . . . . . . . 4858 1 502 . 1 1 45 45 ASN N N 15 117.1 0.1 . 1 . . . . . . . . 4858 1 503 . 1 1 45 45 ASN ND2 N 15 114.5 0.1 . 1 . . . . . . . . 4858 1 504 . 1 1 46 46 ASP H H 1 7.87 0.02 . 1 . . . . . . . . 4858 1 505 . 1 1 46 46 ASP HA H 1 4.23 0.02 . 1 . . . . . . . . 4858 1 506 . 1 1 46 46 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4858 1 507 . 1 1 46 46 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4858 1 508 . 1 1 46 46 ASP CA C 13 53.5 0.1 . 1 . . . . . . . . 4858 1 509 . 1 1 46 46 ASP CB C 13 36.2 0.1 . 1 . . . . . . . . 4858 1 510 . 1 1 46 46 ASP N N 15 112.8 0.1 . 1 . . . . . . . . 4858 1 511 . 1 1 47 47 LEU H H 1 7.89 0.02 . 1 . . . . . . . . 4858 1 512 . 1 1 47 47 LEU HA H 1 4.66 0.02 . 1 . . . . . . . . 4858 1 513 . 1 1 47 47 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4858 1 514 . 1 1 47 47 LEU HB3 H 1 1.09 0.02 . 2 . . . . . . . . 4858 1 515 . 1 1 47 47 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4858 1 516 . 1 1 47 47 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 517 . 1 1 47 47 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 518 . 1 1 47 47 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 519 . 1 1 47 47 LEU HD21 H 1 0.82 0.02 . 2 . . . . . . . . 4858 1 520 . 1 1 47 47 LEU HD22 H 1 0.82 0.02 . 2 . . . . . . . . 4858 1 521 . 1 1 47 47 LEU HD23 H 1 0.82 0.02 . 2 . . . . . . . . 4858 1 522 . 1 1 47 47 LEU CA C 13 50.7 0.1 . 1 . . . . . . . . 4858 1 523 . 1 1 47 47 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 4858 1 524 . 1 1 47 47 LEU CG C 13 23.3 0.1 . 1 . . . . . . . . 4858 1 525 . 1 1 47 47 LEU CD1 C 13 23.6 0.1 . 2 . . . . . . . . 4858 1 526 . 1 1 47 47 LEU CD2 C 13 20.9 0.1 . 2 . . . . . . . . 4858 1 527 . 1 1 47 47 LEU N N 15 118.5 0.1 . 1 . . . . . . . . 4858 1 528 . 1 1 48 48 ALA H H 1 8.83 0.02 . 1 . . . . . . . . 4858 1 529 . 1 1 48 48 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 4858 1 530 . 1 1 48 48 ALA HB1 H 1 1.28 0.02 . 1 . . . . . . . . 4858 1 531 . 1 1 48 48 ALA HB2 H 1 1.28 0.02 . 1 . . . . . . . . 4858 1 532 . 1 1 48 48 ALA HB3 H 1 1.28 0.02 . 1 . . . . . . . . 4858 1 533 . 1 1 48 48 ALA CA C 13 48.7 0.1 . 1 . . . . . . . . 4858 1 534 . 1 1 48 48 ALA CB C 13 15.8 0.1 . 1 . . . . . . . . 4858 1 535 . 1 1 48 48 ALA N N 15 126.9 0.1 . 1 . . . . . . . . 4858 1 536 . 1 1 49 49 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 4858 1 537 . 1 1 49 49 VAL HA H 1 3.87 0.02 . 1 . . . . . . . . 4858 1 538 . 1 1 49 49 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 4858 1 539 . 1 1 49 49 VAL HG11 H 1 0.45 0.02 . 2 . . . . . . . . 4858 1 540 . 1 1 49 49 VAL HG12 H 1 0.45 0.02 . 2 . . . . . . . . 4858 1 541 . 1 1 49 49 VAL HG13 H 1 0.45 0.02 . 2 . . . . . . . . 4858 1 542 . 1 1 49 49 VAL HG21 H 1 0.67 0.02 . 2 . . . . . . . . 4858 1 543 . 1 1 49 49 VAL HG22 H 1 0.67 0.02 . 2 . . . . . . . . 4858 1 544 . 1 1 49 49 VAL HG23 H 1 0.67 0.02 . 2 . . . . . . . . 4858 1 545 . 1 1 49 49 VAL CA C 13 58.3 0.1 . 1 . . . . . . . . 4858 1 546 . 1 1 49 49 VAL CB C 13 29.2 0.1 . 1 . . . . . . . . 4858 1 547 . 1 1 49 49 VAL CG1 C 13 19.8 0.1 . 1 . . . . . . . . 4858 1 548 . 1 1 49 49 VAL CG2 C 13 17.4 0.1 . 1 . . . . . . . . 4858 1 549 . 1 1 49 49 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 4858 1 550 . 1 1 50 50 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 4858 1 551 . 1 1 50 50 VAL HA H 1 3.87 0.02 . 1 . . . . . . . . 4858 1 552 . 1 1 50 50 VAL HB H 1 1.53 0.02 . 1 . . . . . . . . 4858 1 553 . 1 1 50 50 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 554 . 1 1 50 50 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 555 . 1 1 50 50 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 556 . 1 1 50 50 VAL HG21 H 1 0.79 0.02 . 2 . . . . . . . . 4858 1 557 . 1 1 50 50 VAL HG22 H 1 0.79 0.02 . 2 . . . . . . . . 4858 1 558 . 1 1 50 50 VAL HG23 H 1 0.79 0.02 . 2 . . . . . . . . 4858 1 559 . 1 1 50 50 VAL CA C 13 61.4 0.1 . 1 . . . . . . . . 4858 1 560 . 1 1 50 50 VAL CB C 13 29.7 0.1 . 1 . . . . . . . . 4858 1 561 . 1 1 50 50 VAL CG1 C 13 18.6 0.1 . 2 . . . . . . . . 4858 1 562 . 1 1 50 50 VAL CG2 C 13 18.9 0.1 . 2 . . . . . . . . 4858 1 563 . 1 1 50 50 VAL N N 15 123.4 0.1 . 1 . . . . . . . . 4858 1 564 . 1 1 51 51 ASP H H 1 7.21 0.02 . 1 . . . . . . . . 4858 1 565 . 1 1 51 51 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 4858 1 566 . 1 1 51 51 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4858 1 567 . 1 1 51 51 ASP HB3 H 1 2.40 0.02 . 2 . . . . . . . . 4858 1 568 . 1 1 51 51 ASP CA C 13 51.0 0.1 . 1 . . . . . . . . 4858 1 569 . 1 1 51 51 ASP CB C 13 41.4 0.1 . 1 . . . . . . . . 4858 1 570 . 1 1 51 51 ASP N N 15 114.8 0.1 . 1 . . . . . . . . 4858 1 571 . 1 1 52 52 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 4858 1 572 . 1 1 52 52 VAL HA H 1 4.61 0.02 . 1 . . . . . . . . 4858 1 573 . 1 1 52 52 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 4858 1 574 . 1 1 52 52 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 575 . 1 1 52 52 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 576 . 1 1 52 52 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4858 1 577 . 1 1 52 52 VAL HG21 H 1 0.73 0.02 . 2 . . . . . . . . 4858 1 578 . 1 1 52 52 VAL HG22 H 1 0.73 0.02 . 2 . . . . . . . . 4858 1 579 . 1 1 52 52 VAL HG23 H 1 0.73 0.02 . 2 . . . . . . . . 4858 1 580 . 1 1 52 52 VAL CA C 13 59.0 0.1 . 1 . . . . . . . . 4858 1 581 . 1 1 52 52 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 4858 1 582 . 1 1 52 52 VAL CG1 C 13 18.3 0.1 . 2 . . . . . . . . 4858 1 583 . 1 1 52 52 VAL CG2 C 13 18.0 0.1 . 2 . . . . . . . . 4858 1 584 . 1 1 52 52 VAL N N 15 120.4 0.1 . 1 . . . . . . . . 4858 1 585 . 1 1 53 53 ARG H H 1 9.08 0.02 . 1 . . . . . . . . 4858 1 586 . 1 1 53 53 ARG HA H 1 4.69 0.02 . 1 . . . . . . . . 4858 1 587 . 1 1 53 53 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4858 1 588 . 1 1 53 53 ARG HB3 H 1 1.61 0.02 . 2 . . . . . . . . 4858 1 589 . 1 1 53 53 ARG HG2 H 1 1.47 0.02 . 2 . . . . . . . . 4858 1 590 . 1 1 53 53 ARG HG3 H 1 1.30 0.02 . 2 . . . . . . . . 4858 1 591 . 1 1 53 53 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 4858 1 592 . 1 1 53 53 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 4858 1 593 . 1 1 53 53 ARG CA C 13 51.6 0.1 . 1 . . . . . . . . 4858 1 594 . 1 1 53 53 ARG CB C 13 29.6 0.1 . 1 . . . . . . . . 4858 1 595 . 1 1 53 53 ARG CG C 13 24.7 0.1 . 1 . . . . . . . . 4858 1 596 . 1 1 53 53 ARG CD C 13 42.0 0.1 . 1 . . . . . . . . 4858 1 597 . 1 1 53 53 ARG N N 15 125.5 0.1 . 1 . . . . . . . . 4858 1 598 . 1 1 54 54 THR H H 1 8.47 0.02 . 1 . . . . . . . . 4858 1 599 . 1 1 54 54 THR HA H 1 4.51 0.02 . 1 . . . . . . . . 4858 1 600 . 1 1 54 54 THR HB H 1 3.99 0.02 . 1 . . . . . . . . 4858 1 601 . 1 1 54 54 THR HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 602 . 1 1 54 54 THR HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 603 . 1 1 54 54 THR HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4858 1 604 . 1 1 54 54 THR CA C 13 57.6 0.1 . 1 . . . . . . . . 4858 1 605 . 1 1 54 54 THR CB C 13 67.5 0.1 . 1 . . . . . . . . 4858 1 606 . 1 1 54 54 THR CG2 C 13 18.2 0.1 . 1 . . . . . . . . 4858 1 607 . 1 1 54 54 THR N N 15 112.3 0.1 . 1 . . . . . . . . 4858 1 608 . 1 1 55 55 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 4858 1 609 . 1 1 55 55 GLY HA2 H 1 4.07 0.02 . 2 . . . . . . . . 4858 1 610 . 1 1 55 55 GLY HA3 H 1 2.78 0.02 . 2 . . . . . . . . 4858 1 611 . 1 1 55 55 GLY CA C 13 41.6 0.1 . 1 . . . . . . . . 4858 1 612 . 1 1 55 55 GLY N N 15 109.2 0.1 . 1 . . . . . . . . 4858 1 613 . 1 1 56 56 THR H H 1 8.82 0.02 . 1 . . . . . . . . 4858 1 614 . 1 1 56 56 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 4858 1 615 . 1 1 56 56 THR HB H 1 4.16 0.02 . 1 . . . . . . . . 4858 1 616 . 1 1 56 56 THR HG21 H 1 1.27 0.02 . 1 . . . . . . . . 4858 1 617 . 1 1 56 56 THR HG22 H 1 1.27 0.02 . 1 . . . . . . . . 4858 1 618 . 1 1 56 56 THR HG23 H 1 1.27 0.02 . 1 . . . . . . . . 4858 1 619 . 1 1 56 56 THR CA C 13 59.8 0.1 . 1 . . . . . . . . 4858 1 620 . 1 1 56 56 THR CB C 13 68.8 0.1 . 1 . . . . . . . . 4858 1 621 . 1 1 56 56 THR CG2 C 13 19.5 0.1 . 1 . . . . . . . . 4858 1 622 . 1 1 57 57 ASN HA H 1 4.51 0.02 . 1 . . . . . . . . 4858 1 623 . 1 1 57 57 ASN HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4858 1 624 . 1 1 57 57 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4858 1 625 . 1 1 57 57 ASN HD21 H 1 7.55 0.02 . 1 . . . . . . . . 4858 1 626 . 1 1 57 57 ASN HD22 H 1 7.05 0.02 . 1 . . . . . . . . 4858 1 627 . 1 1 57 57 ASN CA C 13 51.0 0.1 . 1 . . . . . . . . 4858 1 628 . 1 1 57 57 ASN CB C 13 34.4 0.1 . 1 . . . . . . . . 4858 1 629 . 1 1 57 57 ASN ND2 N 15 108.9 0.1 . 1 . . . . . . . . 4858 1 630 . 1 1 58 58 ARG H H 1 7.89 0.02 . 1 . . . . . . . . 4858 1 631 . 1 1 58 58 ARG HA H 1 3.29 0.02 . 1 . . . . . . . . 4858 1 632 . 1 1 58 58 ARG HB2 H 1 2.06 0.02 . 1 . . . . . . . . 4858 1 633 . 1 1 58 58 ARG HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4858 1 634 . 1 1 58 58 ARG CA C 13 55.0 0.1 . 1 . . . . . . . . 4858 1 635 . 1 1 58 58 ARG CB C 13 27.3 0.1 . 1 . . . . . . . . 4858 1 636 . 1 1 58 58 ARG N N 15 110.9 0.1 . 1 . . . . . . . . 4858 1 637 . 1 1 59 59 LYS H H 1 7.66 0.02 . 1 . . . . . . . . 4858 1 638 . 1 1 59 59 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4858 1 639 . 1 1 59 59 LYS HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4858 1 640 . 1 1 59 59 LYS HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4858 1 641 . 1 1 59 59 LYS CA C 13 54.6 0.1 . 1 . . . . . . . . 4858 1 642 . 1 1 59 59 LYS CB C 13 30.3 0.1 . 1 . . . . . . . . 4858 1 643 . 1 1 59 59 LYS N N 15 110.0 0.1 . 1 . . . . . . . . 4858 1 644 . 1 1 60 60 PHE H H 1 7.43 0.02 . 1 . . . . . . . . 4858 1 645 . 1 1 60 60 PHE HA H 1 5.08 0.02 . 1 . . . . . . . . 4858 1 646 . 1 1 60 60 PHE HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4858 1 647 . 1 1 60 60 PHE HB3 H 1 2.89 0.02 . 2 . . . . . . . . 4858 1 648 . 1 1 60 60 PHE HD1 H 1 7.00 0.02 . 1 . . . . . . . . 4858 1 649 . 1 1 60 60 PHE HD2 H 1 7.00 0.02 . 1 . . . . . . . . 4858 1 650 . 1 1 60 60 PHE HE1 H 1 7.50 0.02 . 1 . . . . . . . . 4858 1 651 . 1 1 60 60 PHE HE2 H 1 7.50 0.02 . 1 . . . . . . . . 4858 1 652 . 1 1 60 60 PHE HZ H 1 6.92 0.02 . 1 . . . . . . . . 4858 1 653 . 1 1 60 60 PHE CA C 13 51.8 0.1 . 1 . . . . . . . . 4858 1 654 . 1 1 60 60 PHE CB C 13 39.2 0.1 . 1 . . . . . . . . 4858 1 655 . 1 1 60 60 PHE N N 15 114.4 0.1 . 1 . . . . . . . . 4858 1 656 . 1 1 61 61 GLY H H 1 8.78 0.02 . 1 . . . . . . . . 4858 1 657 . 1 1 61 61 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4858 1 658 . 1 1 61 61 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . 4858 1 659 . 1 1 61 61 GLY CA C 13 42.8 0.1 . 1 . . . . . . . . 4858 1 660 . 1 1 61 61 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 4858 1 661 . 1 1 62 62 TYR H H 1 8.93 0.02 . 1 . . . . . . . . 4858 1 662 . 1 1 62 62 TYR HA H 1 5.60 0.02 . 1 . . . . . . . . 4858 1 663 . 1 1 62 62 TYR HB2 H 1 2.85 0.02 . 2 . . . . . . . . 4858 1 664 . 1 1 62 62 TYR HB3 H 1 2.46 0.02 . 2 . . . . . . . . 4858 1 665 . 1 1 62 62 TYR HD1 H 1 6.96 0.02 . 1 . . . . . . . . 4858 1 666 . 1 1 62 62 TYR HD2 H 1 6.96 0.02 . 1 . . . . . . . . 4858 1 667 . 1 1 62 62 TYR HE1 H 1 6.91 0.02 . 1 . . . . . . . . 4858 1 668 . 1 1 62 62 TYR HE2 H 1 6.91 0.02 . 1 . . . . . . . . 4858 1 669 . 1 1 62 62 TYR CA C 13 54.2 0.1 . 1 . . . . . . . . 4858 1 670 . 1 1 62 62 TYR CB C 13 40.6 0.1 . 1 . . . . . . . . 4858 1 671 . 1 1 62 62 TYR N N 15 116.1 0.1 . 1 . . . . . . . . 4858 1 672 . 1 1 63 63 VAL H H 1 9.03 0.02 . 1 . . . . . . . . 4858 1 673 . 1 1 63 63 VAL HA H 1 4.61 0.02 . 1 . . . . . . . . 4858 1 674 . 1 1 63 63 VAL HB H 1 1.65 0.02 . 1 . . . . . . . . 4858 1 675 . 1 1 63 63 VAL HG11 H 1 0.59 0.02 . 2 . . . . . . . . 4858 1 676 . 1 1 63 63 VAL HG12 H 1 0.59 0.02 . 2 . . . . . . . . 4858 1 677 . 1 1 63 63 VAL HG13 H 1 0.59 0.02 . 2 . . . . . . . . 4858 1 678 . 1 1 63 63 VAL HG21 H 1 0.40 0.02 . 2 . . . . . . . . 4858 1 679 . 1 1 63 63 VAL HG22 H 1 0.40 0.02 . 2 . . . . . . . . 4858 1 680 . 1 1 63 63 VAL HG23 H 1 0.40 0.02 . 2 . . . . . . . . 4858 1 681 . 1 1 63 63 VAL CA C 13 57.2 0.1 . 1 . . . . . . . . 4858 1 682 . 1 1 63 63 VAL CB C 13 31.9 0.1 . 1 . . . . . . . . 4858 1 683 . 1 1 63 63 VAL CG1 C 13 19.0 0.1 . 1 . . . . . . . . 4858 1 684 . 1 1 63 63 VAL CG2 C 13 19.0 0.1 . 1 . . . . . . . . 4858 1 685 . 1 1 63 63 VAL N N 15 117.8 0.1 . 1 . . . . . . . . 4858 1 686 . 1 1 64 64 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 4858 1 687 . 1 1 64 64 ASP HA H 1 5.37 0.02 . 1 . . . . . . . . 4858 1 688 . 1 1 64 64 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4858 1 689 . 1 1 64 64 ASP HB3 H 1 2.21 0.02 . 2 . . . . . . . . 4858 1 690 . 1 1 64 64 ASP CA C 13 50.3 0.1 . 1 . . . . . . . . 4858 1 691 . 1 1 64 64 ASP CB C 13 39.8 0.1 . 1 . . . . . . . . 4858 1 692 . 1 1 64 64 ASP N N 15 124.3 0.1 . 1 . . . . . . . . 4858 1 693 . 1 1 65 65 PHE H H 1 9.07 0.02 . 1 . . . . . . . . 4858 1 694 . 1 1 65 65 PHE HA H 1 4.80 0.02 . 1 . . . . . . . . 4858 1 695 . 1 1 65 65 PHE HB2 H 1 3.44 0.02 . 2 . . . . . . . . 4858 1 696 . 1 1 65 65 PHE HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4858 1 697 . 1 1 65 65 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 4858 1 698 . 1 1 65 65 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 4858 1 699 . 1 1 65 65 PHE HE1 H 1 6.53 0.02 . 1 . . . . . . . . 4858 1 700 . 1 1 65 65 PHE HE2 H 1 6.53 0.02 . 1 . . . . . . . . 4858 1 701 . 1 1 65 65 PHE HZ H 1 5.73 0.02 . 1 . . . . . . . . 4858 1 702 . 1 1 65 65 PHE CA C 13 54.9 0.1 . 1 . . . . . . . . 4858 1 703 . 1 1 65 65 PHE CB C 13 39.6 0.1 . 1 . . . . . . . . 4858 1 704 . 1 1 65 65 PHE N N 15 118.7 0.1 . 1 . . . . . . . . 4858 1 705 . 1 1 66 66 GLU H H 1 10.25 0.02 . 1 . . . . . . . . 4858 1 706 . 1 1 66 66 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 4858 1 707 . 1 1 66 66 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4858 1 708 . 1 1 66 66 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4858 1 709 . 1 1 66 66 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 4858 1 710 . 1 1 66 66 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 4858 1 711 . 1 1 66 66 GLU CA C 13 55.7 0.1 . 1 . . . . . . . . 4858 1 712 . 1 1 66 66 GLU CB C 13 28.0 0.1 . 1 . . . . . . . . 4858 1 713 . 1 1 66 66 GLU CG C 13 33.5 0.1 . 1 . . . . . . . . 4858 1 714 . 1 1 66 66 GLU N N 15 119.0 0.1 . 1 . . . . . . . . 4858 1 715 . 1 1 67 67 SER H H 1 7.24 0.02 . 1 . . . . . . . . 4858 1 716 . 1 1 67 67 SER HA H 1 4.02 0.02 . 1 . . . . . . . . 4858 1 717 . 1 1 67 67 SER HB2 H 1 3.60 0.02 . 2 . . . . . . . . 4858 1 718 . 1 1 67 67 SER HB3 H 1 3.92 0.02 . 2 . . . . . . . . 4858 1 719 . 1 1 67 67 SER CA C 13 53.2 0.1 . 1 . . . . . . . . 4858 1 720 . 1 1 67 67 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 4858 1 721 . 1 1 67 67 SER N N 15 107.7 0.1 . 1 . . . . . . . . 4858 1 722 . 1 1 68 68 ALA H H 1 7.79 0.02 . 1 . . . . . . . . 4858 1 723 . 1 1 68 68 ALA HA H 1 3.44 0.02 . 1 . . . . . . . . 4858 1 724 . 1 1 68 68 ALA HB1 H 1 1.18 0.02 . 1 . . . . . . . . 4858 1 725 . 1 1 68 68 ALA HB2 H 1 1.18 0.02 . 1 . . . . . . . . 4858 1 726 . 1 1 68 68 ALA HB3 H 1 1.18 0.02 . 1 . . . . . . . . 4858 1 727 . 1 1 68 68 ALA CA C 13 52.0 0.1 . 1 . . . . . . . . 4858 1 728 . 1 1 68 68 ALA CB C 13 14.9 0.1 . 1 . . . . . . . . 4858 1 729 . 1 1 68 68 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 4858 1 730 . 1 1 69 69 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 4858 1 731 . 1 1 69 69 GLU HA H 1 3.77 0.02 . 1 . . . . . . . . 4858 1 732 . 1 1 69 69 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4858 1 733 . 1 1 69 69 GLU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4858 1 734 . 1 1 69 69 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 4858 1 735 . 1 1 69 69 GLU HG3 H 1 2.13 0.02 . 2 . . . . . . . . 4858 1 736 . 1 1 69 69 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 4858 1 737 . 1 1 69 69 GLU CB C 13 25.6 0.1 . 1 . . . . . . . . 4858 1 738 . 1 1 69 69 GLU CG C 13 33.7 0.1 . 1 . . . . . . . . 4858 1 739 . 1 1 69 69 GLU N N 15 117.5 0.1 . 1 . . . . . . . . 4858 1 740 . 1 1 70 70 ASP H H 1 7.60 0.02 . 1 . . . . . . . . 4858 1 741 . 1 1 70 70 ASP HA H 1 4.08 0.02 . 1 . . . . . . . . 4858 1 742 . 1 1 70 70 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 4858 1 743 . 1 1 70 70 ASP HB3 H 1 2.45 0.02 . 2 . . . . . . . . 4858 1 744 . 1 1 70 70 ASP CA C 13 54.5 0.1 . 1 . . . . . . . . 4858 1 745 . 1 1 70 70 ASP CB C 13 37.0 0.1 . 1 . . . . . . . . 4858 1 746 . 1 1 71 71 LEU H H 1 6.87 0.02 . 1 . . . . . . . . 4858 1 747 . 1 1 71 71 LEU HA H 1 2.77 0.02 . 1 . . . . . . . . 4858 1 748 . 1 1 71 71 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4858 1 749 . 1 1 71 71 LEU HB3 H 1 1.31 0.02 . 2 . . . . . . . . 4858 1 750 . 1 1 71 71 LEU HG H 1 1.40 0.02 . 1 . . . . . . . . 4858 1 751 . 1 1 71 71 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 4858 1 752 . 1 1 71 71 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 4858 1 753 . 1 1 71 71 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 4858 1 754 . 1 1 71 71 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 4858 1 755 . 1 1 71 71 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 4858 1 756 . 1 1 71 71 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 4858 1 757 . 1 1 71 71 LEU CA C 13 56.0 0.1 . 1 . . . . . . . . 4858 1 758 . 1 1 71 71 LEU CB C 13 38.9 0.1 . 1 . . . . . . . . 4858 1 759 . 1 1 71 71 LEU CG C 13 23.8 0.1 . 1 . . . . . . . . 4858 1 760 . 1 1 71 71 LEU CD1 C 13 22.0 0.1 . 1 . . . . . . . . 4858 1 761 . 1 1 71 71 LEU CD2 C 13 22.0 0.1 . 1 . . . . . . . . 4858 1 762 . 1 1 71 71 LEU N N 15 119.7 0.1 . 1 . . . . . . . . 4858 1 763 . 1 1 72 72 GLU H H 1 7.90 0.02 . 1 . . . . . . . . 4858 1 764 . 1 1 72 72 GLU HA H 1 3.78 0.02 . 1 . . . . . . . . 4858 1 765 . 1 1 72 72 GLU HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4858 1 766 . 1 1 72 72 GLU HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4858 1 767 . 1 1 72 72 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 4858 1 768 . 1 1 72 72 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 4858 1 769 . 1 1 72 72 GLU CA C 13 56.3 0.1 . 1 . . . . . . . . 4858 1 770 . 1 1 72 72 GLU CB C 13 25.8 0.1 . 1 . . . . . . . . 4858 1 771 . 1 1 72 72 GLU CG C 13 32.8 0.1 . 1 . . . . . . . . 4858 1 772 . 1 1 72 72 GLU N N 15 116.2 0.1 . 1 . . . . . . . . 4858 1 773 . 1 1 73 73 LYS H H 1 7.56 0.02 . 1 . . . . . . . . 4858 1 774 . 1 1 73 73 LYS HA H 1 3.88 0.02 . 1 . . . . . . . . 4858 1 775 . 1 1 73 73 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4858 1 776 . 1 1 73 73 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4858 1 777 . 1 1 73 73 LYS HG2 H 1 1.55 0.02 . 2 . . . . . . . . 4858 1 778 . 1 1 73 73 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 4858 1 779 . 1 1 73 73 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 4858 1 780 . 1 1 73 73 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 4858 1 781 . 1 1 73 73 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 4858 1 782 . 1 1 73 73 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 4858 1 783 . 1 1 73 73 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 4858 1 784 . 1 1 73 73 LYS CB C 13 29.4 0.1 . 1 . . . . . . . . 4858 1 785 . 1 1 73 73 LYS CG C 13 22.4 0.1 . 1 . . . . . . . . 4858 1 786 . 1 1 73 73 LYS CD C 13 26.1 0.1 . 1 . . . . . . . . 4858 1 787 . 1 1 73 73 LYS CE C 13 39.3 0.1 . 1 . . . . . . . . 4858 1 788 . 1 1 73 73 LYS N N 15 118.8 0.1 . 1 . . . . . . . . 4858 1 789 . 1 1 74 74 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 4858 1 790 . 1 1 74 74 ALA HA H 1 3.74 0.02 . 1 . . . . . . . . 4858 1 791 . 1 1 74 74 ALA HB1 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 792 . 1 1 74 74 ALA HB2 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 793 . 1 1 74 74 ALA HB3 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 794 . 1 1 74 74 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 4858 1 795 . 1 1 74 74 ALA CB C 13 16.3 0.1 . 1 . . . . . . . . 4858 1 796 . 1 1 74 74 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 4858 1 797 . 1 1 75 75 LEU H H 1 7.32 0.02 . 1 . . . . . . . . 4858 1 798 . 1 1 75 75 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . 4858 1 799 . 1 1 75 75 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4858 1 800 . 1 1 75 75 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 4858 1 801 . 1 1 75 75 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 4858 1 802 . 1 1 75 75 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 4858 1 803 . 1 1 75 75 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 4858 1 804 . 1 1 75 75 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 4858 1 805 . 1 1 75 75 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 4858 1 806 . 1 1 75 75 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 4858 1 807 . 1 1 75 75 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 4858 1 808 . 1 1 75 75 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 4858 1 809 . 1 1 75 75 LEU CB C 13 39.4 0.1 . 1 . . . . . . . . 4858 1 810 . 1 1 75 75 LEU CG C 13 24.1 0.1 . 1 . . . . . . . . 4858 1 811 . 1 1 75 75 LEU CD1 C 13 22.9 0.1 . 2 . . . . . . . . 4858 1 812 . 1 1 75 75 LEU CD2 C 13 20.4 0.1 . 2 . . . . . . . . 4858 1 813 . 1 1 75 75 LEU N N 15 113.3 0.1 . 1 . . . . . . . . 4858 1 814 . 1 1 76 76 GLU H H 1 7.28 0.02 . 1 . . . . . . . . 4858 1 815 . 1 1 76 76 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 4858 1 816 . 1 1 76 76 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4858 1 817 . 1 1 76 76 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4858 1 818 . 1 1 76 76 GLU HG2 H 1 2.47 0.02 . 1 . . . . . . . . 4858 1 819 . 1 1 76 76 GLU HG3 H 1 2.47 0.02 . 1 . . . . . . . . 4858 1 820 . 1 1 76 76 GLU CA C 13 54.1 0.1 . 1 . . . . . . . . 4858 1 821 . 1 1 76 76 GLU CB C 13 27.5 0.1 . 1 . . . . . . . . 4858 1 822 . 1 1 76 76 GLU CG C 13 33.2 0.1 . 1 . . . . . . . . 4858 1 823 . 1 1 76 76 GLU N N 15 115.5 0.1 . 1 . . . . . . . . 4858 1 824 . 1 1 77 77 LEU H H 1 7.33 0.02 . 1 . . . . . . . . 4858 1 825 . 1 1 77 77 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 4858 1 826 . 1 1 77 77 LEU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4858 1 827 . 1 1 77 77 LEU HB3 H 1 1.30 0.02 . 2 . . . . . . . . 4858 1 828 . 1 1 77 77 LEU HG H 1 1.13 0.02 . 1 . . . . . . . . 4858 1 829 . 1 1 77 77 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 4858 1 830 . 1 1 77 77 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 4858 1 831 . 1 1 77 77 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 4858 1 832 . 1 1 77 77 LEU HD21 H 1 0.82 0.02 . 2 . . . . . . . . 4858 1 833 . 1 1 77 77 LEU HD22 H 1 0.82 0.02 . 2 . . . . . . . . 4858 1 834 . 1 1 77 77 LEU HD23 H 1 0.82 0.02 . 2 . . . . . . . . 4858 1 835 . 1 1 77 77 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 4858 1 836 . 1 1 77 77 LEU CB C 13 39.1 0.1 . 1 . . . . . . . . 4858 1 837 . 1 1 77 77 LEU CG C 13 23.4 0.1 . 1 . . . . . . . . 4858 1 838 . 1 1 77 77 LEU CD1 C 13 22.9 0.1 . 2 . . . . . . . . 4858 1 839 . 1 1 77 77 LEU CD2 C 13 21.8 0.1 . 2 . . . . . . . . 4858 1 840 . 1 1 77 77 LEU N N 15 119.4 0.1 . 1 . . . . . . . . 4858 1 841 . 1 1 78 78 THR H H 1 8.10 0.02 . 1 . . . . . . . . 4858 1 842 . 1 1 78 78 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 4858 1 843 . 1 1 78 78 THR HB H 1 4.15 0.02 . 1 . . . . . . . . 4858 1 844 . 1 1 78 78 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4858 1 845 . 1 1 78 78 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4858 1 846 . 1 1 78 78 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4858 1 847 . 1 1 78 78 THR CA C 13 58.0 0.1 . 1 . . . . . . . . 4858 1 848 . 1 1 78 78 THR CB C 13 68.1 0.1 . 1 . . . . . . . . 4858 1 849 . 1 1 78 78 THR CG2 C 13 18.3 0.1 . 1 . . . . . . . . 4858 1 850 . 1 1 78 78 THR N N 15 111.8 0.1 . 1 . . . . . . . . 4858 1 851 . 1 1 79 79 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 4858 1 852 . 1 1 79 79 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 4858 1 853 . 1 1 79 79 GLY HA3 H 1 3.78 0.02 . 2 . . . . . . . . 4858 1 854 . 1 1 79 79 GLY CA C 13 44.2 0.1 . 1 . . . . . . . . 4858 1 855 . 1 1 79 79 GLY N N 15 109.6 0.1 . 1 . . . . . . . . 4858 1 856 . 1 1 80 80 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 4858 1 857 . 1 1 80 80 LEU HA H 1 4.12 0.02 . 1 . . . . . . . . 4858 1 858 . 1 1 80 80 LEU HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4858 1 859 . 1 1 80 80 LEU HB3 H 1 1.02 0.02 . 2 . . . . . . . . 4858 1 860 . 1 1 80 80 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 4858 1 861 . 1 1 80 80 LEU HD11 H 1 0.71 0.02 . 2 . . . . . . . . 4858 1 862 . 1 1 80 80 LEU HD12 H 1 0.71 0.02 . 2 . . . . . . . . 4858 1 863 . 1 1 80 80 LEU HD13 H 1 0.71 0.02 . 2 . . . . . . . . 4858 1 864 . 1 1 80 80 LEU HD21 H 1 0.60 0.02 . 2 . . . . . . . . 4858 1 865 . 1 1 80 80 LEU HD22 H 1 0.60 0.02 . 2 . . . . . . . . 4858 1 866 . 1 1 80 80 LEU HD23 H 1 0.60 0.02 . 2 . . . . . . . . 4858 1 867 . 1 1 80 80 LEU CA C 13 52.6 0.1 . 1 . . . . . . . . 4858 1 868 . 1 1 80 80 LEU CB C 13 38.9 0.1 . 1 . . . . . . . . 4858 1 869 . 1 1 80 80 LEU CG C 13 23.3 0.1 . 1 . . . . . . . . 4858 1 870 . 1 1 80 80 LEU CD1 C 13 22.8 0.1 . 2 . . . . . . . . 4858 1 871 . 1 1 80 80 LEU CD2 C 13 18.8 0.1 . 2 . . . . . . . . 4858 1 872 . 1 1 80 80 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 4858 1 873 . 1 1 81 81 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 4858 1 874 . 1 1 81 81 LYS HA H 1 5.11 0.02 . 1 . . . . . . . . 4858 1 875 . 1 1 81 81 LYS HB2 H 1 1.48 0.02 . 2 . . . . . . . . 4858 1 876 . 1 1 81 81 LYS HB3 H 1 1.22 0.02 . 2 . . . . . . . . 4858 1 877 . 1 1 81 81 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . 4858 1 878 . 1 1 81 81 LYS HG3 H 1 0.94 0.02 . 2 . . . . . . . . 4858 1 879 . 1 1 81 81 LYS HD2 H 1 1.45 0.02 . 1 . . . . . . . . 4858 1 880 . 1 1 81 81 LYS HD3 H 1 1.45 0.02 . 1 . . . . . . . . 4858 1 881 . 1 1 81 81 LYS HE2 H 1 2.80 0.02 . 1 . . . . . . . . 4858 1 882 . 1 1 81 81 LYS HE3 H 1 2.80 0.02 . 1 . . . . . . . . 4858 1 883 . 1 1 81 81 LYS CA C 13 52.4 0.1 . 1 . . . . . . . . 4858 1 884 . 1 1 81 81 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 4858 1 885 . 1 1 81 81 LYS CG C 13 22.0 0.1 . 1 . . . . . . . . 4858 1 886 . 1 1 81 81 LYS CD C 13 26.5 0.1 . 1 . . . . . . . . 4858 1 887 . 1 1 81 81 LYS CE C 13 39.0 0.1 . 1 . . . . . . . . 4858 1 888 . 1 1 81 81 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 4858 1 889 . 1 1 82 82 VAL H H 1 8.37 0.02 . 1 . . . . . . . . 4858 1 890 . 1 1 82 82 VAL HA H 1 3.83 0.02 . 1 . . . . . . . . 4858 1 891 . 1 1 82 82 VAL HB H 1 1.57 0.02 . 1 . . . . . . . . 4858 1 892 . 1 1 82 82 VAL HG11 H 1 0.59 0.02 . 2 . . . . . . . . 4858 1 893 . 1 1 82 82 VAL HG12 H 1 0.59 0.02 . 2 . . . . . . . . 4858 1 894 . 1 1 82 82 VAL HG13 H 1 0.59 0.02 . 2 . . . . . . . . 4858 1 895 . 1 1 82 82 VAL HG21 H 1 0.61 0.02 . 2 . . . . . . . . 4858 1 896 . 1 1 82 82 VAL HG22 H 1 0.61 0.02 . 2 . . . . . . . . 4858 1 897 . 1 1 82 82 VAL HG23 H 1 0.61 0.02 . 2 . . . . . . . . 4858 1 898 . 1 1 82 82 VAL CA C 13 58.8 0.1 . 1 . . . . . . . . 4858 1 899 . 1 1 82 82 VAL CB C 13 31.3 0.1 . 1 . . . . . . . . 4858 1 900 . 1 1 82 82 VAL CG1 C 13 19.3 0.1 . 1 . . . . . . . . 4858 1 901 . 1 1 82 82 VAL CG2 C 13 19.3 0.1 . 1 . . . . . . . . 4858 1 902 . 1 1 82 82 VAL N N 15 118.3 0.1 . 1 . . . . . . . . 4858 1 903 . 1 1 83 83 PHE H H 1 9.34 0.02 . 1 . . . . . . . . 4858 1 904 . 1 1 83 83 PHE HA H 1 4.33 0.02 . 1 . . . . . . . . 4858 1 905 . 1 1 83 83 PHE HB2 H 1 3.34 0.02 . 1 . . . . . . . . 4858 1 906 . 1 1 83 83 PHE HB3 H 1 2.83 0.02 . 1 . . . . . . . . 4858 1 907 . 1 1 83 83 PHE HD1 H 1 7.15 0.02 . 1 . . . . . . . . 4858 1 908 . 1 1 83 83 PHE HD2 H 1 7.15 0.02 . 1 . . . . . . . . 4858 1 909 . 1 1 83 83 PHE HE1 H 1 7.31 0.02 . 1 . . . . . . . . 4858 1 910 . 1 1 83 83 PHE HE2 H 1 7.31 0.02 . 1 . . . . . . . . 4858 1 911 . 1 1 83 83 PHE HZ H 1 7.11 0.02 . 1 . . . . . . . . 4858 1 912 . 1 1 83 83 PHE CA C 13 56.4 0.1 . 1 . . . . . . . . 4858 1 913 . 1 1 83 83 PHE CB C 13 34.1 0.1 . 1 . . . . . . . . 4858 1 914 . 1 1 83 83 PHE N N 15 126.7 0.1 . 1 . . . . . . . . 4858 1 915 . 1 1 84 84 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 4858 1 916 . 1 1 84 84 GLY HA2 H 1 4.20 0.02 . 2 . . . . . . . . 4858 1 917 . 1 1 84 84 GLY HA3 H 1 3.47 0.02 . 2 . . . . . . . . 4858 1 918 . 1 1 84 84 GLY CA C 13 43.2 0.1 . 1 . . . . . . . . 4858 1 919 . 1 1 84 84 GLY N N 15 102.6 0.1 . 1 . . . . . . . . 4858 1 920 . 1 1 85 85 ASN H H 1 7.72 0.02 . 1 . . . . . . . . 4858 1 921 . 1 1 85 85 ASN HA H 1 4.85 0.02 . 1 . . . . . . . . 4858 1 922 . 1 1 85 85 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 4858 1 923 . 1 1 85 85 ASN HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4858 1 924 . 1 1 85 85 ASN HD21 H 1 6.97 0.02 . 1 . . . . . . . . 4858 1 925 . 1 1 85 85 ASN HD22 H 1 6.63 0.02 . 1 . . . . . . . . 4858 1 926 . 1 1 85 85 ASN CA C 13 49.1 0.1 . 1 . . . . . . . . 4858 1 927 . 1 1 85 85 ASN CB C 13 36.1 0.1 . 1 . . . . . . . . 4858 1 928 . 1 1 85 85 ASN N N 15 119.9 0.1 . 1 . . . . . . . . 4858 1 929 . 1 1 85 85 ASN ND2 N 15 108.5 0.1 . 1 . . . . . . . . 4858 1 930 . 1 1 86 86 GLU H H 1 8.95 0.02 . 1 . . . . . . . . 4858 1 931 . 1 1 86 86 GLU HA H 1 4.43 0.02 . 1 . . . . . . . . 4858 1 932 . 1 1 86 86 GLU HB2 H 1 1.85 0.02 . 1 . . . . . . . . 4858 1 933 . 1 1 86 86 GLU HB3 H 1 1.85 0.02 . 1 . . . . . . . . 4858 1 934 . 1 1 86 86 GLU HG2 H 1 2.13 0.02 . 1 . . . . . . . . 4858 1 935 . 1 1 86 86 GLU HG3 H 1 2.13 0.02 . 1 . . . . . . . . 4858 1 936 . 1 1 86 86 GLU CA C 13 54.2 0.1 . 1 . . . . . . . . 4858 1 937 . 1 1 86 86 GLU CB C 13 26.2 0.1 . 1 . . . . . . . . 4858 1 938 . 1 1 86 86 GLU CG C 13 33.2 0.1 . 1 . . . . . . . . 4858 1 939 . 1 1 86 86 GLU N N 15 122.5 0.1 . 1 . . . . . . . . 4858 1 940 . 1 1 87 87 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 4858 1 941 . 1 1 87 87 ILE HA H 1 4.62 0.02 . 1 . . . . . . . . 4858 1 942 . 1 1 87 87 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 4858 1 943 . 1 1 87 87 ILE HG12 H 1 1.65 0.02 . 1 . . . . . . . . 4858 1 944 . 1 1 87 87 ILE HG13 H 1 1.65 0.02 . 1 . . . . . . . . 4858 1 945 . 1 1 87 87 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 4858 1 946 . 1 1 87 87 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 4858 1 947 . 1 1 87 87 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 4858 1 948 . 1 1 87 87 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 4858 1 949 . 1 1 87 87 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 4858 1 950 . 1 1 87 87 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 4858 1 951 . 1 1 87 87 ILE CA C 13 58.0 0.1 . 1 . . . . . . . . 4858 1 952 . 1 1 87 87 ILE CB C 13 36.5 0.1 . 1 . . . . . . . . 4858 1 953 . 1 1 87 87 ILE CG1 C 13 26.1 0.1 . 1 . . . . . . . . 4858 1 954 . 1 1 87 87 ILE CG2 C 13 17.2 0.1 . 1 . . . . . . . . 4858 1 955 . 1 1 87 87 ILE CD1 C 13 11.4 0.1 . 1 . . . . . . . . 4858 1 956 . 1 1 87 87 ILE N N 15 121.8 0.1 . 1 . . . . . . . . 4858 1 957 . 1 1 88 88 LYS H H 1 7.69 0.02 . 1 . . . . . . . . 4858 1 958 . 1 1 88 88 LYS HA H 1 4.66 0.02 . 1 . . . . . . . . 4858 1 959 . 1 1 88 88 LYS HB2 H 1 1.71 0.02 . 2 . . . . . . . . 4858 1 960 . 1 1 88 88 LYS HB3 H 1 1.60 0.02 . 2 . . . . . . . . 4858 1 961 . 1 1 88 88 LYS HG2 H 1 1.36 0.02 . 2 . . . . . . . . 4858 1 962 . 1 1 88 88 LYS HG3 H 1 1.31 0.02 . 2 . . . . . . . . 4858 1 963 . 1 1 88 88 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 964 . 1 1 88 88 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 965 . 1 1 88 88 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4858 1 966 . 1 1 88 88 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4858 1 967 . 1 1 88 88 LYS CA C 13 52.1 0.1 . 1 . . . . . . . . 4858 1 968 . 1 1 88 88 LYS CB C 13 32.1 0.1 . 1 . . . . . . . . 4858 1 969 . 1 1 88 88 LYS CG C 13 22.3 0.1 . 1 . . . . . . . . 4858 1 970 . 1 1 88 88 LYS CD C 13 26.5 0.1 . 1 . . . . . . . . 4858 1 971 . 1 1 88 88 LYS CE C 13 39.0 0.1 . 1 . . . . . . . . 4858 1 972 . 1 1 88 88 LYS N N 15 121.0 0.1 . 1 . . . . . . . . 4858 1 973 . 1 1 89 89 LEU H H 1 8.74 0.02 . 1 . . . . . . . . 4858 1 974 . 1 1 89 89 LEU HA H 1 5.54 0.02 . 1 . . . . . . . . 4858 1 975 . 1 1 89 89 LEU HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4858 1 976 . 1 1 89 89 LEU HB3 H 1 1.40 0.02 . 2 . . . . . . . . 4858 1 977 . 1 1 89 89 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 4858 1 978 . 1 1 89 89 LEU HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 979 . 1 1 89 89 LEU HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 980 . 1 1 89 89 LEU HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 981 . 1 1 89 89 LEU HD21 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 982 . 1 1 89 89 LEU HD22 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 983 . 1 1 89 89 LEU HD23 H 1 0.96 0.02 . 1 . . . . . . . . 4858 1 984 . 1 1 89 89 LEU CA C 13 51.0 0.1 . 1 . . . . . . . . 4858 1 985 . 1 1 89 89 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 4858 1 986 . 1 1 89 89 LEU CG C 13 24.4 0.1 . 1 . . . . . . . . 4858 1 987 . 1 1 89 89 LEU CD1 C 13 22.6 0.1 . 1 . . . . . . . . 4858 1 988 . 1 1 89 89 LEU CD2 C 13 22.1 0.1 . 1 . . . . . . . . 4858 1 989 . 1 1 89 89 LEU N N 15 125.2 0.1 . 1 . . . . . . . . 4858 1 990 . 1 1 90 90 GLU H H 1 9.04 0.02 . 1 . . . . . . . . 4858 1 991 . 1 1 90 90 GLU HA H 1 4.66 0.02 . 1 . . . . . . . . 4858 1 992 . 1 1 90 90 GLU HB2 H 1 1.82 0.02 . 1 . . . . . . . . 4858 1 993 . 1 1 90 90 GLU HB3 H 1 1.82 0.02 . 1 . . . . . . . . 4858 1 994 . 1 1 90 90 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 4858 1 995 . 1 1 90 90 GLU HG3 H 1 2.06 0.02 . 2 . . . . . . . . 4858 1 996 . 1 1 90 90 GLU CA C 13 52.2 0.1 . 1 . . . . . . . . 4858 1 997 . 1 1 90 90 GLU CB C 13 31.9 0.1 . 1 . . . . . . . . 4858 1 998 . 1 1 90 90 GLU CG C 13 32.4 0.1 . 1 . . . . . . . . 4858 1 999 . 1 1 90 90 GLU N N 15 118.4 0.1 . 1 . . . . . . . . 4858 1 1000 . 1 1 91 91 LYS H H 1 9.04 0.02 . 1 . . . . . . . . 4858 1 1001 . 1 1 91 91 LYS HA H 1 4.68 0.02 . 1 . . . . . . . . 4858 1 1002 . 1 1 91 91 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4858 1 1003 . 1 1 91 91 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4858 1 1004 . 1 1 91 91 LYS HG2 H 1 1.66 0.02 . 2 . . . . . . . . 4858 1 1005 . 1 1 91 91 LYS HG3 H 1 1.50 0.02 . 2 . . . . . . . . 4858 1 1006 . 1 1 91 91 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 4858 1 1007 . 1 1 91 91 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 4858 1 1008 . 1 1 91 91 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4858 1 1009 . 1 1 91 91 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4858 1 1010 . 1 1 91 91 LYS CA C 13 53.0 0.1 . 1 . . . . . . . . 4858 1 1011 . 1 1 91 91 LYS CB C 13 29.3 0.1 . 1 . . . . . . . . 4858 1 1012 . 1 1 91 91 LYS CG C 13 23.3 0.1 . 1 . . . . . . . . 4858 1 1013 . 1 1 91 91 LYS CD C 13 26.1 0.1 . 1 . . . . . . . . 4858 1 1014 . 1 1 91 91 LYS CE C 13 39.0 0.1 . 1 . . . . . . . . 4858 1 1015 . 1 1 91 91 LYS N N 15 123.8 0.1 . 1 . . . . . . . . 4858 1 1016 . 1 1 92 92 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4858 1 1017 . 1 1 92 92 PRO HB2 H 1 2.40 0.02 . 2 . . . . . . . . 4858 1 1018 . 1 1 92 92 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4858 1 1019 . 1 1 92 92 PRO HG2 H 1 2.24 0.02 . 2 . . . . . . . . 4858 1 1020 . 1 1 92 92 PRO HG3 H 1 2.03 0.02 . 2 . . . . . . . . 4858 1 1021 . 1 1 92 92 PRO HD2 H 1 4.32 0.02 . 2 . . . . . . . . 4858 1 1022 . 1 1 92 92 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 4858 1 1023 . 1 1 92 92 PRO CA C 13 60.3 0.1 . 1 . . . . . . . . 4858 1 1024 . 1 1 92 92 PRO CB C 13 29.3 0.1 . 1 . . . . . . . . 4858 1 1025 . 1 1 92 92 PRO CG C 13 25.0 0.1 . 1 . . . . . . . . 4858 1 1026 . 1 1 92 92 PRO CD C 13 48.4 0.1 . 1 . . . . . . . . 4858 1 1027 . 1 1 93 93 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 4858 1 1028 . 1 1 93 93 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 4858 1 1029 . 1 1 93 93 LYS HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 1030 . 1 1 93 93 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 1031 . 1 1 93 93 LYS HG2 H 1 1.38 0.02 . 1 . . . . . . . . 4858 1 1032 . 1 1 93 93 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . 4858 1 1033 . 1 1 93 93 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 4858 1 1034 . 1 1 93 93 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 4858 1 1035 . 1 1 93 93 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4858 1 1036 . 1 1 93 93 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4858 1 1037 . 1 1 93 93 LYS CA C 13 53.5 0.1 . 1 . . . . . . . . 4858 1 1038 . 1 1 93 93 LYS CB C 13 30.0 0.1 . 1 . . . . . . . . 4858 1 1039 . 1 1 93 93 LYS CG C 13 21.3 0.1 . 1 . . . . . . . . 4858 1 1040 . 1 1 93 93 LYS CD C 13 26.0 0.1 . 1 . . . . . . . . 4858 1 1041 . 1 1 93 93 LYS CE C 13 39.2 0.1 . 1 . . . . . . . . 4858 1 1042 . 1 1 93 93 LYS N N 15 121.8 0.1 . 1 . . . . . . . . 4858 1 1043 . 1 1 94 94 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 4858 1 1044 . 1 1 94 94 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4858 1 1045 . 1 1 94 94 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 4858 1 1046 . 1 1 94 94 GLY CA C 13 43.0 0.1 . 1 . . . . . . . . 4858 1 1047 . 1 1 94 94 GLY N N 15 109.3 0.1 . 1 . . . . . . . . 4858 1 1048 . 1 1 95 95 ARG H H 1 8.31 0.02 . 1 . . . . . . . . 4858 1 1049 . 1 1 95 95 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4858 1 1050 . 1 1 95 95 ARG HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 1051 . 1 1 95 95 ARG HB3 H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 1052 . 1 1 95 95 ARG HG2 H 1 1.53 0.02 . 1 . . . . . . . . 4858 1 1053 . 1 1 95 95 ARG HG3 H 1 1.53 0.02 . 1 . . . . . . . . 4858 1 1054 . 1 1 95 95 ARG HD2 H 1 3.03 0.02 . 1 . . . . . . . . 4858 1 1055 . 1 1 95 95 ARG HD3 H 1 3.03 0.02 . 1 . . . . . . . . 4858 1 1056 . 1 1 95 95 ARG CA C 13 53.5 0.1 . 1 . . . . . . . . 4858 1 1057 . 1 1 95 95 ARG CB C 13 27.7 0.1 . 1 . . . . . . . . 4858 1 1058 . 1 1 95 95 ARG CG C 13 23.9 0.1 . 1 . . . . . . . . 4858 1 1059 . 1 1 95 95 ARG CD C 13 40.3 0.1 . 1 . . . . . . . . 4858 1 1060 . 1 1 95 95 ARG N N 15 120.0 0.1 . 1 . . . . . . . . 4858 1 1061 . 1 1 96 96 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 4858 1 1062 . 1 1 96 96 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 4858 1 1063 . 1 1 96 96 ASP HB2 H 1 2.61 0.02 . 1 . . . . . . . . 4858 1 1064 . 1 1 96 96 ASP HB3 H 1 2.61 0.02 . 1 . . . . . . . . 4858 1 1065 . 1 1 96 96 ASP CA C 13 52.0 0.1 . 1 . . . . . . . . 4858 1 1066 . 1 1 96 96 ASP CB C 13 37.9 0.1 . 1 . . . . . . . . 4858 1 1067 . 1 1 96 96 ASP N N 15 120.6 0.1 . 1 . . . . . . . . 4858 1 1068 . 1 1 97 97 GLY H H 1 8.36 0.02 . 1 . . . . . . . . 4858 1 1069 . 1 1 97 97 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4858 1 1070 . 1 1 97 97 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 4858 1 1071 . 1 1 97 97 GLY CA C 13 43.5 0.1 . 1 . . . . . . . . 4858 1 1072 . 1 1 97 97 GLY N N 15 109.0 0.1 . 1 . . . . . . . . 4858 1 1073 . 1 1 98 98 THR H H 1 8.09 0.02 . 1 . . . . . . . . 4858 1 1074 . 1 1 98 98 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 4858 1 1075 . 1 1 98 98 THR HB H 1 4.23 0.02 . 1 . . . . . . . . 4858 1 1076 . 1 1 98 98 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 4858 1 1077 . 1 1 98 98 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 4858 1 1078 . 1 1 98 98 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 4858 1 1079 . 1 1 98 98 THR CA C 13 59.7 0.1 . 1 . . . . . . . . 4858 1 1080 . 1 1 98 98 THR CB C 13 66.9 0.1 . 1 . . . . . . . . 4858 1 1081 . 1 1 98 98 THR CG2 C 13 18.5 0.1 . 1 . . . . . . . . 4858 1 1082 . 1 1 98 98 THR N N 15 112.7 0.1 . 1 . . . . . . . . 4858 1 1083 . 1 1 99 99 ARG H H 1 8.32 0.02 . 1 . . . . . . . . 4858 1 1084 . 1 1 99 99 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 4858 1 1085 . 1 1 99 99 ARG HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4858 1 1086 . 1 1 99 99 ARG HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4858 1 1087 . 1 1 99 99 ARG HG2 H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 1088 . 1 1 99 99 ARG HG3 H 1 1.70 0.02 . 1 . . . . . . . . 4858 1 1089 . 1 1 99 99 ARG HD2 H 1 3.10 0.02 . 1 . . . . . . . . 4858 1 1090 . 1 1 99 99 ARG HD3 H 1 3.10 0.02 . 1 . . . . . . . . 4858 1 1091 . 1 1 99 99 ARG CA C 13 54.6 0.1 . 1 . . . . . . . . 4858 1 1092 . 1 1 99 99 ARG CB C 13 27.6 0.1 . 1 . . . . . . . . 4858 1 1093 . 1 1 99 99 ARG CG C 13 25.4 0.1 . 1 . . . . . . . . 4858 1 1094 . 1 1 99 99 ARG CD C 13 40.7 0.1 . 1 . . . . . . . . 4858 1 1095 . 1 1 99 99 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 4858 1 1096 . 1 1 100 100 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 4858 1 1097 . 1 1 100 100 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4858 1 1098 . 1 1 100 100 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 4858 1 1099 . 1 1 100 100 GLY CA C 13 43.0 0.1 . 1 . . . . . . . . 4858 1 1100 . 1 1 100 100 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 4858 1 1101 . 1 1 101 101 CYS H H 1 7.84 0.02 . 1 . . . . . . . . 4858 1 1102 . 1 1 101 101 CYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4858 1 1103 . 1 1 101 101 CYS HB2 H 1 2.85 0.02 . 1 . . . . . . . . 4858 1 1104 . 1 1 101 101 CYS HB3 H 1 2.85 0.02 . 1 . . . . . . . . 4858 1 1105 . 1 1 101 101 CYS CA C 13 54.5 0.1 . 1 . . . . . . . . 4858 1 1106 . 1 1 101 101 CYS CB C 13 40.0 0.1 . 1 . . . . . . . . 4858 1 1107 . 1 1 101 101 CYS N N 15 121.9 0.1 . 1 . . . . . . . . 4858 1 stop_ save_