data_4863 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4863 _Entry.Title ; SOLUTION STRUCTURE OF NUCLEOLIN RBD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-17 _Entry.Accession_date 2000-10-17 _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. . 4863 2 D. Gilbert . E. . 4863 3 P. Bouvet . . . 4863 4 J. Feigon . . . 4863 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4863 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 252 4863 '15N chemical shifts' 95 4863 '1H chemical shifts' 589 4863 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 2000-10-17 original author . 4863 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4863 _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. . 4863 1 2 D. Gilbert . E. . 4863 1 3 P. Bouvet . . . 4863 1 4 J. Feigon . . . 4863 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Nucleolus 4863 1 RBD 4863 1 'RNA binding domain' 4863 1 RNP 4863 1 RRM 4863 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_nucleolin_rbd2 _Assembly.Sf_category assembly _Assembly.Sf_framecode nucleolin_rbd2 _Assembly.Entry_ID 4863 _Assembly.ID 1 _Assembly.Name 'NUCLEOLIN RBD2' _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 4863 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 RBD2' 1 $rbd2 . . . native . . . . . 4863 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 1FJC . . . . . . 4863 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nucleolin rbd2' abbreviation 4863 1 'NUCLEOLIN RBD2' system 4863 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rbd2 _Entity.Sf_category entity _Entity.Sf_framecode rbd2 _Entity.Entry_ID 4863 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NUCLEOLIN RBD2' _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 ; SHMLEDPCTSKKVRAARTLL AKNLSFNITEDELKEVFEDA LEIRLVSQDGKSKGIAYIEF KSEADAEKNLEEKQGAEIDG RSVSLYYTGEKGGTRG ; _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 96 _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 1FJC . "Solution Structure Of Nucleolin Rbd2" . . . . . 100.00 96 100.00 100.00 2.41e-61 . . . . 4863 1 2 no GB EGW00584 . "Nucleolin [Cricetulus griseus]" . . . . . 86.46 479 100.00 100.00 3.08e-47 . . . . 4863 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NUCLEOLIN RBD2' common 4863 1 rbd2 abbreviation 4863 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 . SER . 4863 1 2 . HIS . 4863 1 3 . MET . 4863 1 4 . LEU . 4863 1 5 . GLU . 4863 1 6 . ASP . 4863 1 7 . PRO . 4863 1 8 . CYS . 4863 1 9 . THR . 4863 1 10 . SER . 4863 1 11 . LYS . 4863 1 12 . LYS . 4863 1 13 . VAL . 4863 1 14 . ARG . 4863 1 15 . ALA . 4863 1 16 . ALA . 4863 1 17 . ARG . 4863 1 18 . THR . 4863 1 19 . LEU . 4863 1 20 . LEU . 4863 1 21 . ALA . 4863 1 22 . LYS . 4863 1 23 . ASN . 4863 1 24 . LEU . 4863 1 25 . SER . 4863 1 26 . PHE . 4863 1 27 . ASN . 4863 1 28 . ILE . 4863 1 29 . THR . 4863 1 30 . GLU . 4863 1 31 . ASP . 4863 1 32 . GLU . 4863 1 33 . LEU . 4863 1 34 . LYS . 4863 1 35 . GLU . 4863 1 36 . VAL . 4863 1 37 . PHE . 4863 1 38 . GLU . 4863 1 39 . ASP . 4863 1 40 . ALA . 4863 1 41 . LEU . 4863 1 42 . GLU . 4863 1 43 . ILE . 4863 1 44 . ARG . 4863 1 45 . LEU . 4863 1 46 . VAL . 4863 1 47 . SER . 4863 1 48 . GLN . 4863 1 49 . ASP . 4863 1 50 . GLY . 4863 1 51 . LYS . 4863 1 52 . SER . 4863 1 53 . LYS . 4863 1 54 . GLY . 4863 1 55 . ILE . 4863 1 56 . ALA . 4863 1 57 . TYR . 4863 1 58 . ILE . 4863 1 59 . GLU . 4863 1 60 . PHE . 4863 1 61 . LYS . 4863 1 62 . SER . 4863 1 63 . GLU . 4863 1 64 . ALA . 4863 1 65 . ASP . 4863 1 66 . ALA . 4863 1 67 . GLU . 4863 1 68 . LYS . 4863 1 69 . ASN . 4863 1 70 . LEU . 4863 1 71 . GLU . 4863 1 72 . GLU . 4863 1 73 . LYS . 4863 1 74 . GLN . 4863 1 75 . GLY . 4863 1 76 . ALA . 4863 1 77 . GLU . 4863 1 78 . ILE . 4863 1 79 . ASP . 4863 1 80 . GLY . 4863 1 81 . ARG . 4863 1 82 . SER . 4863 1 83 . VAL . 4863 1 84 . SER . 4863 1 85 . LEU . 4863 1 86 . TYR . 4863 1 87 . TYR . 4863 1 88 . THR . 4863 1 89 . GLY . 4863 1 90 . GLU . 4863 1 91 . LYS . 4863 1 92 . GLY . 4863 1 93 . GLY . 4863 1 94 . THR . 4863 1 95 . ARG . 4863 1 96 . GLY . 4863 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 . SER 1 1 4863 1 . HIS 2 2 4863 1 . MET 3 3 4863 1 . LEU 4 4 4863 1 . GLU 5 5 4863 1 . ASP 6 6 4863 1 . PRO 7 7 4863 1 . CYS 8 8 4863 1 . THR 9 9 4863 1 . SER 10 10 4863 1 . LYS 11 11 4863 1 . LYS 12 12 4863 1 . VAL 13 13 4863 1 . ARG 14 14 4863 1 . ALA 15 15 4863 1 . ALA 16 16 4863 1 . ARG 17 17 4863 1 . THR 18 18 4863 1 . LEU 19 19 4863 1 . LEU 20 20 4863 1 . ALA 21 21 4863 1 . LYS 22 22 4863 1 . ASN 23 23 4863 1 . LEU 24 24 4863 1 . SER 25 25 4863 1 . PHE 26 26 4863 1 . ASN 27 27 4863 1 . ILE 28 28 4863 1 . THR 29 29 4863 1 . GLU 30 30 4863 1 . ASP 31 31 4863 1 . GLU 32 32 4863 1 . LEU 33 33 4863 1 . LYS 34 34 4863 1 . GLU 35 35 4863 1 . VAL 36 36 4863 1 . PHE 37 37 4863 1 . GLU 38 38 4863 1 . ASP 39 39 4863 1 . ALA 40 40 4863 1 . LEU 41 41 4863 1 . GLU 42 42 4863 1 . ILE 43 43 4863 1 . ARG 44 44 4863 1 . LEU 45 45 4863 1 . VAL 46 46 4863 1 . SER 47 47 4863 1 . GLN 48 48 4863 1 . ASP 49 49 4863 1 . GLY 50 50 4863 1 . LYS 51 51 4863 1 . SER 52 52 4863 1 . LYS 53 53 4863 1 . GLY 54 54 4863 1 . ILE 55 55 4863 1 . ALA 56 56 4863 1 . TYR 57 57 4863 1 . ILE 58 58 4863 1 . GLU 59 59 4863 1 . PHE 60 60 4863 1 . LYS 61 61 4863 1 . SER 62 62 4863 1 . GLU 63 63 4863 1 . ALA 64 64 4863 1 . ASP 65 65 4863 1 . ALA 66 66 4863 1 . GLU 67 67 4863 1 . LYS 68 68 4863 1 . ASN 69 69 4863 1 . LEU 70 70 4863 1 . GLU 71 71 4863 1 . GLU 72 72 4863 1 . LYS 73 73 4863 1 . GLN 74 74 4863 1 . GLY 75 75 4863 1 . ALA 76 76 4863 1 . GLU 77 77 4863 1 . ILE 78 78 4863 1 . ASP 79 79 4863 1 . GLY 80 80 4863 1 . ARG 81 81 4863 1 . SER 82 82 4863 1 . VAL 83 83 4863 1 . SER 84 84 4863 1 . LEU 85 85 4863 1 . TYR 86 86 4863 1 . TYR 87 87 4863 1 . THR 88 88 4863 1 . GLY 89 89 4863 1 . GLU 90 90 4863 1 . LYS 91 91 4863 1 . GLY 92 92 4863 1 . GLY 93 93 4863 1 . THR 94 94 4863 1 . ARG 95 95 4863 1 . GLY 96 96 4863 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 4863 _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 $rbd2 . 10036 . . 'Mesocricetus auratus' 'golden hamster' . . Eukaryota Metazoa Mesocricetus auratus . . . . . . . . . . . . . . . . . . . . . 4863 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 4863 _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 $rbd2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . . . . 4863 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4863 _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 RBD2' '[U-15N; U-13C]' . . 1 $rbd2 . . 1 . . mM . . . . 4863 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 4863 1 3 KCl . . . . . . . 100 . . mM . . . . 4863 1 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 4863 1 5 H2O . . . . . . . 90 . . % . . . . 4863 1 6 D2O . . . . . . . 10 . . % . . . . 4863 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4863 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NUCLEOLIN RBD2' '[U-15N; U-13C]' . . 1 $rbd2 . . 1 . . mM . . . . 4863 2 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 4863 2 3 KCl . . . . . . . 100 . . mM . . . . 4863 2 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 4863 2 5 D2O . . . . . . . 100 . . % . . . . 4863 2 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 4863 _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 4863 1 pH 6.2 0.1 n/a 4863 1 temperature 293 1.0 K 4863 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4863 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.841 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4863 1 'structure solution' 4863 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4863 _Software.ID 2 _Software.Name DYANA _Software.Version 1 _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4863 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 4863 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4863 _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 . 500 . . . 4863 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 4863 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4863 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4863 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4863 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 4863 _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 4863 _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 4863 _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 4863 _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 . . . . . . . . . 4863 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4863 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4863 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 4863 _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 . 4863 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 6 6 ASP H H 1 8.38 0.01 . 1 . . . . . . . . 4863 1 2 . 1 1 6 6 ASP HA H 1 4.80 0.01 . 1 . . . . . . . . 4863 1 3 . 1 1 6 6 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 4863 1 4 . 1 1 6 6 ASP HB3 H 1 2.51 0.01 . 2 . . . . . . . . 4863 1 5 . 1 1 6 6 ASP CA C 13 51.9 0.1 . 1 . . . . . . . . 4863 1 6 . 1 1 6 6 ASP CB C 13 38.9 0.1 . 1 . . . . . . . . 4863 1 7 . 1 1 6 6 ASP N N 15 123.0 0.1 . 1 . . . . . . . . 4863 1 8 . 1 1 7 7 PRO HA H 1 4.39 0.01 . 1 . . . . . . . . 4863 1 9 . 1 1 7 7 PRO CA C 13 61.0 0.1 . 1 . . . . . . . . 4863 1 10 . 1 1 8 8 CYS H H 1 8.50 0.01 . 1 . . . . . . . . 4863 1 11 . 1 1 8 8 CYS HA H 1 4.26 0.01 . 1 . . . . . . . . 4863 1 12 . 1 1 8 8 CYS CA C 13 57.0 0.1 . 1 . . . . . . . . 4863 1 13 . 1 1 8 8 CYS N N 15 114.5 0.1 . 1 . . . . . . . . 4863 1 14 . 1 1 9 9 THR H H 1 7.86 0.01 . 1 . . . . . . . . 4863 1 15 . 1 1 9 9 THR HA H 1 4.17 0.01 . 1 . . . . . . . . 4863 1 16 . 1 1 9 9 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 4863 1 17 . 1 1 9 9 THR HG21 H 1 1.16 0.01 . 1 . . . . . . . . 4863 1 18 . 1 1 9 9 THR HG22 H 1 1.16 0.01 . 1 . . . . . . . . 4863 1 19 . 1 1 9 9 THR HG23 H 1 1.16 0.01 . 1 . . . . . . . . 4863 1 20 . 1 1 9 9 THR CA C 13 60.3 0.1 . 1 . . . . . . . . 4863 1 21 . 1 1 9 9 THR CB C 13 66.2 0.1 . 1 . . . . . . . . 4863 1 22 . 1 1 9 9 THR CG2 C 13 18.7 0.1 . 1 . . . . . . . . 4863 1 23 . 1 1 9 9 THR N N 15 115.4 0.1 . 1 . . . . . . . . 4863 1 24 . 1 1 10 10 SER H H 1 8.09 0.01 . 1 . . . . . . . . 4863 1 25 . 1 1 10 10 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 4863 1 26 . 1 1 10 10 SER HB2 H 1 3.96 0.01 . 1 . . . . . . . . 4863 1 27 . 1 1 10 10 SER HB3 H 1 3.85 0.01 . 1 . . . . . . . . 4863 1 28 . 1 1 10 10 SER CA C 13 56.2 0.1 . 1 . . . . . . . . 4863 1 29 . 1 1 10 10 SER CB C 13 60.5 0.1 . 1 . . . . . . . . 4863 1 30 . 1 1 10 10 SER N N 15 117.6 0.1 . 1 . . . . . . . . 4863 1 31 . 1 1 11 11 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 4863 1 32 . 1 1 11 11 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 4863 1 33 . 1 1 11 11 LYS HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4863 1 34 . 1 1 11 11 LYS HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4863 1 35 . 1 1 11 11 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 4863 1 36 . 1 1 11 11 LYS HG3 H 1 1.48 0.01 . 1 . . . . . . . . 4863 1 37 . 1 1 11 11 LYS CA C 13 55.7 0.1 . 1 . . . . . . . . 4863 1 38 . 1 1 11 11 LYS CB C 13 29.5 0.1 . 1 . . . . . . . . 4863 1 39 . 1 1 11 11 LYS CG C 13 22.4 0.1 . 1 . . . . . . . . 4863 1 40 . 1 1 11 11 LYS N N 15 122.5 0.1 . 1 . . . . . . . . 4863 1 41 . 1 1 12 12 LYS H H 1 8.11 0.01 . 1 . . . . . . . . 4863 1 42 . 1 1 12 12 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 4863 1 43 . 1 1 12 12 LYS HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4863 1 44 . 1 1 12 12 LYS HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4863 1 45 . 1 1 12 12 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 4863 1 46 . 1 1 12 12 LYS CB C 13 29.6 0.1 . 1 . . . . . . . . 4863 1 47 . 1 1 12 12 LYS N N 15 121.0 0.1 . 1 . . . . . . . . 4863 1 48 . 1 1 13 13 VAL H H 1 7.87 0.01 . 1 . . . . . . . . 4863 1 49 . 1 1 13 13 VAL HA H 1 3.77 0.01 . 1 . . . . . . . . 4863 1 50 . 1 1 13 13 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 4863 1 51 . 1 1 13 13 VAL HG11 H 1 0.96 0.01 . 2 . . . . . . . . 4863 1 52 . 1 1 13 13 VAL HG12 H 1 0.96 0.01 . 2 . . . . . . . . 4863 1 53 . 1 1 13 13 VAL HG13 H 1 0.96 0.01 . 2 . . . . . . . . 4863 1 54 . 1 1 13 13 VAL HG21 H 1 0.89 0.01 . 2 . . . . . . . . 4863 1 55 . 1 1 13 13 VAL HG22 H 1 0.89 0.01 . 2 . . . . . . . . 4863 1 56 . 1 1 13 13 VAL HG23 H 1 0.89 0.01 . 2 . . . . . . . . 4863 1 57 . 1 1 13 13 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . 4863 1 58 . 1 1 13 13 VAL CB C 13 28.8 0.1 . 1 . . . . . . . . 4863 1 59 . 1 1 13 13 VAL CG1 C 13 19.1 0.1 . 2 . . . . . . . . 4863 1 60 . 1 1 13 13 VAL CG2 C 13 18.0 0.1 . 2 . . . . . . . . 4863 1 61 . 1 1 13 13 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 4863 1 62 . 1 1 14 14 ARG H H 1 8.03 0.01 . 1 . . . . . . . . 4863 1 63 . 1 1 14 14 ARG HA H 1 3.91 0.01 . 1 . . . . . . . . 4863 1 64 . 1 1 14 14 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 4863 1 65 . 1 1 14 14 ARG HB3 H 1 1.65 0.01 . 2 . . . . . . . . 4863 1 66 . 1 1 14 14 ARG HD2 H 1 3.01 0.01 . 1 . . . . . . . . 4863 1 67 . 1 1 14 14 ARG HD3 H 1 3.01 0.01 . 1 . . . . . . . . 4863 1 68 . 1 1 14 14 ARG HE H 1 7.71 0.01 . 1 . . . . . . . . 4863 1 69 . 1 1 14 14 ARG CA C 13 55.9 0.1 . 1 . . . . . . . . 4863 1 70 . 1 1 14 14 ARG CB C 13 26.9 0.1 . 1 . . . . . . . . 4863 1 71 . 1 1 14 14 ARG N N 15 119.3 0.1 . 1 . . . . . . . . 4863 1 72 . 1 1 15 15 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 4863 1 73 . 1 1 15 15 ALA HA H 1 3.88 0.01 . 1 . . . . . . . . 4863 1 74 . 1 1 15 15 ALA HB1 H 1 1.37 0.01 . 1 . . . . . . . . 4863 1 75 . 1 1 15 15 ALA HB2 H 1 1.37 0.01 . 1 . . . . . . . . 4863 1 76 . 1 1 15 15 ALA HB3 H 1 1.37 0.01 . 1 . . . . . . . . 4863 1 77 . 1 1 15 15 ALA CA C 13 52.0 0.1 . 1 . . . . . . . . 4863 1 78 . 1 1 15 15 ALA CB C 13 15.5 0.1 . 1 . . . . . . . . 4863 1 79 . 1 1 15 15 ALA N N 15 123.5 0.1 . 1 . . . . . . . . 4863 1 80 . 1 1 16 16 ALA H H 1 7.53 0.01 . 1 . . . . . . . . 4863 1 81 . 1 1 16 16 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 4863 1 82 . 1 1 16 16 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 4863 1 83 . 1 1 16 16 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 4863 1 84 . 1 1 16 16 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 4863 1 85 . 1 1 16 16 ALA CA C 13 50.8 0.1 . 1 . . . . . . . . 4863 1 86 . 1 1 16 16 ALA CB C 13 15.4 0.1 . 1 . . . . . . . . 4863 1 87 . 1 1 16 16 ALA N N 15 117.7 0.1 . 1 . . . . . . . . 4863 1 88 . 1 1 17 17 ARG H H 1 7.51 0.01 . 1 . . . . . . . . 4863 1 89 . 1 1 17 17 ARG HA H 1 4.61 0.01 . 1 . . . . . . . . 4863 1 90 . 1 1 17 17 ARG HB2 H 1 1.64 0.01 . 1 . . . . . . . . 4863 1 91 . 1 1 17 17 ARG HB3 H 1 1.64 0.01 . 1 . . . . . . . . 4863 1 92 . 1 1 17 17 ARG HG2 H 1 1.84 0.01 . 1 . . . . . . . . 4863 1 93 . 1 1 17 17 ARG HG3 H 1 1.84 0.01 . 1 . . . . . . . . 4863 1 94 . 1 1 17 17 ARG HD2 H 1 2.95 0.01 . 1 . . . . . . . . 4863 1 95 . 1 1 17 17 ARG HD3 H 1 2.95 0.01 . 1 . . . . . . . . 4863 1 96 . 1 1 17 17 ARG HE H 1 7.45 0.01 . 1 . . . . . . . . 4863 1 97 . 1 1 17 17 ARG CA C 13 51.8 0.1 . 1 . . . . . . . . 4863 1 98 . 1 1 17 17 ARG CB C 13 27.3 0.1 . 1 . . . . . . . . 4863 1 99 . 1 1 17 17 ARG CG C 13 23.3 0.1 . 1 . . . . . . . . 4863 1 100 . 1 1 17 17 ARG CD C 13 41.2 0.1 . 1 . . . . . . . . 4863 1 101 . 1 1 17 17 ARG N N 15 112.5 0.1 . 1 . . . . . . . . 4863 1 102 . 1 1 18 18 THR H H 1 7.68 0.01 . 1 . . . . . . . . 4863 1 103 . 1 1 18 18 THR HA H 1 5.50 0.01 . 1 . . . . . . . . 4863 1 104 . 1 1 18 18 THR HB H 1 4.00 0.01 . 1 . . . . . . . . 4863 1 105 . 1 1 18 18 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 4863 1 106 . 1 1 18 18 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 4863 1 107 . 1 1 18 18 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 4863 1 108 . 1 1 18 18 THR CA C 13 59.2 0.1 . 1 . . . . . . . . 4863 1 109 . 1 1 18 18 THR CB C 13 67.3 0.1 . 1 . . . . . . . . 4863 1 110 . 1 1 18 18 THR CG2 C 13 18.7 0.1 . 1 . . . . . . . . 4863 1 111 . 1 1 18 18 THR N N 15 117.2 0.1 . 1 . . . . . . . . 4863 1 112 . 1 1 19 19 LEU H H 1 9.44 0.01 . 1 . . . . . . . . 4863 1 113 . 1 1 19 19 LEU HA H 1 5.25 0.01 . 1 . . . . . . . . 4863 1 114 . 1 1 19 19 LEU HB2 H 1 1.59 0.01 . 2 . . . . . . . . 4863 1 115 . 1 1 19 19 LEU HB3 H 1 1.34 0.01 . 2 . . . . . . . . 4863 1 116 . 1 1 19 19 LEU HG H 1 1.83 0.01 . 1 . . . . . . . . 4863 1 117 . 1 1 19 19 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 4863 1 118 . 1 1 19 19 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 4863 1 119 . 1 1 19 19 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 4863 1 120 . 1 1 19 19 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 4863 1 121 . 1 1 19 19 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 4863 1 122 . 1 1 19 19 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 4863 1 123 . 1 1 19 19 LEU CA C 13 49.5 0.1 . 1 . . . . . . . . 4863 1 124 . 1 1 19 19 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 4863 1 125 . 1 1 19 19 LEU CG C 13 24.4 0.1 . 1 . . . . . . . . 4863 1 126 . 1 1 19 19 LEU CD1 C 13 23.3 0.1 . 1 . . . . . . . . 4863 1 127 . 1 1 19 19 LEU CD2 C 13 21.1 0.1 . 1 . . . . . . . . 4863 1 128 . 1 1 19 19 LEU N N 15 124.0 0.1 . 1 . . . . . . . . 4863 1 129 . 1 1 20 20 LEU H H 1 9.15 0.01 . 1 . . . . . . . . 4863 1 130 . 1 1 20 20 LEU HA H 1 4.65 0.01 . 1 . . . . . . . . 4863 1 131 . 1 1 20 20 LEU HB2 H 1 1.57 0.01 . 2 . . . . . . . . 4863 1 132 . 1 1 20 20 LEU HB3 H 1 1.10 0.01 . 2 . . . . . . . . 4863 1 133 . 1 1 20 20 LEU HG H 1 1.11 0.01 . 1 . . . . . . . . 4863 1 134 . 1 1 20 20 LEU HD11 H 1 0.56 0.01 . 2 . . . . . . . . 4863 1 135 . 1 1 20 20 LEU HD12 H 1 0.56 0.01 . 2 . . . . . . . . 4863 1 136 . 1 1 20 20 LEU HD13 H 1 0.56 0.01 . 2 . . . . . . . . 4863 1 137 . 1 1 20 20 LEU HD21 H 1 0.26 0.01 . 2 . . . . . . . . 4863 1 138 . 1 1 20 20 LEU HD22 H 1 0.26 0.01 . 2 . . . . . . . . 4863 1 139 . 1 1 20 20 LEU HD23 H 1 0.26 0.01 . 2 . . . . . . . . 4863 1 140 . 1 1 20 20 LEU CA C 13 50.5 0.1 . 1 . . . . . . . . 4863 1 141 . 1 1 20 20 LEU CB C 13 41.5 0.1 . 1 . . . . . . . . 4863 1 142 . 1 1 20 20 LEU CG C 13 24.5 0.1 . 1 . . . . . . . . 4863 1 143 . 1 1 20 20 LEU CD1 C 13 23.2 0.1 . 2 . . . . . . . . 4863 1 144 . 1 1 20 20 LEU CD2 C 13 20.1 0.1 . 2 . . . . . . . . 4863 1 145 . 1 1 20 20 LEU N N 15 123.4 0.1 . 1 . . . . . . . . 4863 1 146 . 1 1 21 21 ALA H H 1 9.30 0.01 . 1 . . . . . . . . 4863 1 147 . 1 1 21 21 ALA HA H 1 5.36 0.01 . 1 . . . . . . . . 4863 1 148 . 1 1 21 21 ALA HB1 H 1 1.10 0.01 . 1 . . . . . . . . 4863 1 149 . 1 1 21 21 ALA HB2 H 1 1.10 0.01 . 1 . . . . . . . . 4863 1 150 . 1 1 21 21 ALA HB3 H 1 1.10 0.01 . 1 . . . . . . . . 4863 1 151 . 1 1 21 21 ALA CA C 13 46.8 0.1 . 1 . . . . . . . . 4863 1 152 . 1 1 21 21 ALA CB C 13 18.1 0.1 . 1 . . . . . . . . 4863 1 153 . 1 1 21 21 ALA N N 15 128.3 0.1 . 1 . . . . . . . . 4863 1 154 . 1 1 22 22 LYS H H 1 9.22 0.01 . 1 . . . . . . . . 4863 1 155 . 1 1 22 22 LYS HA H 1 5.05 0.01 . 1 . . . . . . . . 4863 1 156 . 1 1 22 22 LYS HB2 H 1 2.03 0.01 . 2 . . . . . . . . 4863 1 157 . 1 1 22 22 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . 4863 1 158 . 1 1 22 22 LYS HG2 H 1 1.40 0.01 . 1 . . . . . . . . 4863 1 159 . 1 1 22 22 LYS HG3 H 1 1.40 0.01 . 1 . . . . . . . . 4863 1 160 . 1 1 22 22 LYS CA C 13 51.3 0.1 . 1 . . . . . . . . 4863 1 161 . 1 1 22 22 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . 4863 1 162 . 1 1 22 22 LYS CG C 13 23.3 0.1 . 1 . . . . . . . . 4863 1 163 . 1 1 22 22 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 4863 1 164 . 1 1 23 23 ASN H H 1 8.81 0.01 . 1 . . . . . . . . 4863 1 165 . 1 1 23 23 ASN HA H 1 4.36 0.01 . 1 . . . . . . . . 4863 1 166 . 1 1 23 23 ASN HB2 H 1 3.67 0.01 . 1 . . . . . . . . 4863 1 167 . 1 1 23 23 ASN HB3 H 1 2.54 0.01 . 1 . . . . . . . . 4863 1 168 . 1 1 23 23 ASN HD21 H 1 8.23 0.01 . 1 . . . . . . . . 4863 1 169 . 1 1 23 23 ASN HD22 H 1 6.93 0.01 . 1 . . . . . . . . 4863 1 170 . 1 1 23 23 ASN CA C 13 51.2 0.1 . 1 . . . . . . . . 4863 1 171 . 1 1 23 23 ASN CB C 13 35.4 0.1 . 1 . . . . . . . . 4863 1 172 . 1 1 23 23 ASN N N 15 114.4 0.1 . 1 . . . . . . . . 4863 1 173 . 1 1 23 23 ASN ND2 N 15 112.6 0.1 . 1 . . . . . . . . 4863 1 174 . 1 1 24 24 LEU H H 1 7.66 0.01 . 1 . . . . . . . . 4863 1 175 . 1 1 24 24 LEU HA H 1 4.18 0.01 . 1 . . . . . . . . 4863 1 176 . 1 1 24 24 LEU HB2 H 1 1.21 0.01 . 1 . . . . . . . . 4863 1 177 . 1 1 24 24 LEU HB3 H 1 1.21 0.01 . 1 . . . . . . . . 4863 1 178 . 1 1 24 24 LEU HG H 1 1.26 0.01 . 1 . . . . . . . . 4863 1 179 . 1 1 24 24 LEU HD11 H 1 0.72 0.01 . 2 . . . . . . . . 4863 1 180 . 1 1 24 24 LEU HD12 H 1 0.72 0.01 . 2 . . . . . . . . 4863 1 181 . 1 1 24 24 LEU HD13 H 1 0.72 0.01 . 2 . . . . . . . . 4863 1 182 . 1 1 24 24 LEU HD21 H 1 0.50 0.01 . 2 . . . . . . . . 4863 1 183 . 1 1 24 24 LEU HD22 H 1 0.50 0.01 . 2 . . . . . . . . 4863 1 184 . 1 1 24 24 LEU HD23 H 1 0.50 0.01 . 2 . . . . . . . . 4863 1 185 . 1 1 24 24 LEU CA C 13 50.8 0.1 . 1 . . . . . . . . 4863 1 186 . 1 1 24 24 LEU CB C 13 39.3 0.1 . 1 . . . . . . . . 4863 1 187 . 1 1 24 24 LEU CG C 13 23.6 0.1 . 1 . . . . . . . . 4863 1 188 . 1 1 24 24 LEU CD1 C 13 20.8 0.1 . 2 . . . . . . . . 4863 1 189 . 1 1 24 24 LEU CD2 C 13 24.5 0.1 . 2 . . . . . . . . 4863 1 190 . 1 1 24 24 LEU N N 15 114.7 0.1 . 1 . . . . . . . . 4863 1 191 . 1 1 25 25 SER H H 1 9.07 0.01 . 1 . . . . . . . . 4863 1 192 . 1 1 25 25 SER HA H 1 4.09 0.01 . 1 . . . . . . . . 4863 1 193 . 1 1 25 25 SER HB2 H 1 3.74 0.01 . 2 . . . . . . . . 4863 1 194 . 1 1 25 25 SER HB3 H 1 4.06 0.01 . 2 . . . . . . . . 4863 1 195 . 1 1 25 25 SER CA C 13 54.5 0.1 . 1 . . . . . . . . 4863 1 196 . 1 1 25 25 SER CB C 13 60.8 0.1 . 1 . . . . . . . . 4863 1 197 . 1 1 25 25 SER N N 15 115.8 0.1 . 1 . . . . . . . . 4863 1 198 . 1 1 26 26 PHE H H 1 8.70 0.01 . 1 . . . . . . . . 4863 1 199 . 1 1 26 26 PHE HA H 1 4.42 0.01 . 1 . . . . . . . . 4863 1 200 . 1 1 26 26 PHE HB2 H 1 3.34 0.01 . 1 . . . . . . . . 4863 1 201 . 1 1 26 26 PHE HB3 H 1 2.99 0.01 . 1 . . . . . . . . 4863 1 202 . 1 1 26 26 PHE HD1 H 1 7.19 0.01 . 1 . . . . . . . . 4863 1 203 . 1 1 26 26 PHE HD2 H 1 7.19 0.01 . 1 . . . . . . . . 4863 1 204 . 1 1 26 26 PHE HE1 H 1 7.26 0.01 . 1 . . . . . . . . 4863 1 205 . 1 1 26 26 PHE HE2 H 1 7.26 0.01 . 1 . . . . . . . . 4863 1 206 . 1 1 26 26 PHE HZ H 1 6.96 0.01 . 1 . . . . . . . . 4863 1 207 . 1 1 26 26 PHE CA C 13 55.4 0.1 . 1 . . . . . . . . 4863 1 208 . 1 1 26 26 PHE CB C 13 34.6 0.1 . 1 . . . . . . . . 4863 1 209 . 1 1 26 26 PHE N N 15 123.3 0.1 . 1 . . . . . . . . 4863 1 210 . 1 1 27 27 ASN H H 1 8.05 0.01 . 1 . . . . . . . . 4863 1 211 . 1 1 27 27 ASN HA H 1 4.81 0.01 . 1 . . . . . . . . 4863 1 212 . 1 1 27 27 ASN HB2 H 1 2.79 0.01 . 2 . . . . . . . . 4863 1 213 . 1 1 27 27 ASN HB3 H 1 2.60 0.01 . 2 . . . . . . . . 4863 1 214 . 1 1 27 27 ASN HD21 H 1 7.81 0.01 . 1 . . . . . . . . 4863 1 215 . 1 1 27 27 ASN HD22 H 1 6.97 0.01 . 1 . . . . . . . . 4863 1 216 . 1 1 27 27 ASN CA C 13 49.7 0.1 . 1 . . . . . . . . 4863 1 217 . 1 1 27 27 ASN CB C 13 36.0 0.1 . 1 . . . . . . . . 4863 1 218 . 1 1 27 27 ASN N N 15 114.4 0.1 . 1 . . . . . . . . 4863 1 219 . 1 1 27 27 ASN ND2 N 15 113.5 0.1 . 1 . . . . . . . . 4863 1 220 . 1 1 28 28 ILE H H 1 6.97 0.01 . 1 . . . . . . . . 4863 1 221 . 1 1 28 28 ILE HA H 1 4.31 0.01 . 1 . . . . . . . . 4863 1 222 . 1 1 28 28 ILE HB H 1 1.90 0.01 . 1 . . . . . . . . 4863 1 223 . 1 1 28 28 ILE HG12 H 1 1.56 0.01 . 2 . . . . . . . . 4863 1 224 . 1 1 28 28 ILE HG13 H 1 1.32 0.01 . 2 . . . . . . . . 4863 1 225 . 1 1 28 28 ILE HG21 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 226 . 1 1 28 28 ILE HG22 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 227 . 1 1 28 28 ILE HG23 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 228 . 1 1 28 28 ILE HD11 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 229 . 1 1 28 28 ILE HD12 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 230 . 1 1 28 28 ILE HD13 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 231 . 1 1 28 28 ILE CA C 13 57.3 0.1 . 1 . . . . . . . . 4863 1 232 . 1 1 28 28 ILE CB C 13 35.6 0.1 . 1 . . . . . . . . 4863 1 233 . 1 1 28 28 ILE CG1 C 13 25.8 0.1 . 1 . . . . . . . . 4863 1 234 . 1 1 28 28 ILE CG2 C 13 15.3 0.1 . 1 . . . . . . . . 4863 1 235 . 1 1 28 28 ILE CD1 C 13 11.4 0.1 . 1 . . . . . . . . 4863 1 236 . 1 1 28 28 ILE N N 15 120.0 0.1 . 1 . . . . . . . . 4863 1 237 . 1 1 29 29 THR H H 1 7.85 0.01 . 1 . . . . . . . . 4863 1 238 . 1 1 29 29 THR HA H 1 4.68 0.01 . 1 . . . . . . . . 4863 1 239 . 1 1 29 29 THR HB H 1 4.62 0.01 . 1 . . . . . . . . 4863 1 240 . 1 1 29 29 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 4863 1 241 . 1 1 29 29 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 4863 1 242 . 1 1 29 29 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 4863 1 243 . 1 1 29 29 THR CA C 13 56.6 0.1 . 1 . . . . . . . . 4863 1 244 . 1 1 29 29 THR CB C 13 70.1 0.1 . 1 . . . . . . . . 4863 1 245 . 1 1 29 29 THR CG2 C 13 18.5 0.1 . 1 . . . . . . . . 4863 1 246 . 1 1 29 29 THR N N 15 114.5 0.1 . 1 . . . . . . . . 4863 1 247 . 1 1 30 30 GLU H H 1 9.47 0.01 . 1 . . . . . . . . 4863 1 248 . 1 1 30 30 GLU HA H 1 3.66 0.01 . 1 . . . . . . . . 4863 1 249 . 1 1 30 30 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4863 1 250 . 1 1 30 30 GLU HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4863 1 251 . 1 1 30 30 GLU HG2 H 1 2.22 0.01 . 1 . . . . . . . . 4863 1 252 . 1 1 30 30 GLU HG3 H 1 2.22 0.01 . 1 . . . . . . . . 4863 1 253 . 1 1 30 30 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 4863 1 254 . 1 1 30 30 GLU CB C 13 26.3 0.1 . 1 . . . . . . . . 4863 1 255 . 1 1 30 30 GLU CG C 13 34.3 0.1 . 1 . . . . . . . . 4863 1 256 . 1 1 30 30 GLU N N 15 120.1 0.1 . 1 . . . . . . . . 4863 1 257 . 1 1 31 31 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 4863 1 258 . 1 1 31 31 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 4863 1 259 . 1 1 31 31 ASP HB2 H 1 2.58 0.01 . 2 . . . . . . . . 4863 1 260 . 1 1 31 31 ASP HB3 H 1 2.46 0.01 . 2 . . . . . . . . 4863 1 261 . 1 1 31 31 ASP CA C 13 54.5 0.1 . 1 . . . . . . . . 4863 1 262 . 1 1 31 31 ASP CB C 13 37.1 0.1 . 1 . . . . . . . . 4863 1 263 . 1 1 31 31 ASP N N 15 116.4 0.1 . 1 . . . . . . . . 4863 1 264 . 1 1 32 32 GLU H H 1 7.64 0.01 . 1 . . . . . . . . 4863 1 265 . 1 1 32 32 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 4863 1 266 . 1 1 32 32 GLU HB2 H 1 2.24 0.01 . 2 . . . . . . . . 4863 1 267 . 1 1 32 32 GLU HB3 H 1 1.85 0.01 . 2 . . . . . . . . 4863 1 268 . 1 1 32 32 GLU HG2 H 1 2.24 0.01 . 1 . . . . . . . . 4863 1 269 . 1 1 32 32 GLU HG3 H 1 2.24 0.01 . 1 . . . . . . . . 4863 1 270 . 1 1 32 32 GLU CA C 13 56.1 0.1 . 1 . . . . . . . . 4863 1 271 . 1 1 32 32 GLU CB C 13 26.6 0.1 . 1 . . . . . . . . 4863 1 272 . 1 1 32 32 GLU CG C 13 33.9 0.1 . 1 . . . . . . . . 4863 1 273 . 1 1 32 32 GLU N N 15 119.4 0.1 . 1 . . . . . . . . 4863 1 274 . 1 1 33 33 LEU H H 1 7.71 0.01 . 1 . . . . . . . . 4863 1 275 . 1 1 33 33 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 4863 1 276 . 1 1 33 33 LEU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 4863 1 277 . 1 1 33 33 LEU HB3 H 1 1.37 0.01 . 2 . . . . . . . . 4863 1 278 . 1 1 33 33 LEU HG H 1 1.73 0.01 . 1 . . . . . . . . 4863 1 279 . 1 1 33 33 LEU HD11 H 1 0.64 0.01 . 2 . . . . . . . . 4863 1 280 . 1 1 33 33 LEU HD12 H 1 0.64 0.01 . 2 . . . . . . . . 4863 1 281 . 1 1 33 33 LEU HD13 H 1 0.64 0.01 . 2 . . . . . . . . 4863 1 282 . 1 1 33 33 LEU HD21 H 1 0.85 0.01 . 2 . . . . . . . . 4863 1 283 . 1 1 33 33 LEU HD22 H 1 0.85 0.01 . 2 . . . . . . . . 4863 1 284 . 1 1 33 33 LEU HD23 H 1 0.85 0.01 . 2 . . . . . . . . 4863 1 285 . 1 1 33 33 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 4863 1 286 . 1 1 33 33 LEU CB C 13 39.7 0.1 . 1 . . . . . . . . 4863 1 287 . 1 1 33 33 LEU CG C 13 23.9 0.1 . 1 . . . . . . . . 4863 1 288 . 1 1 33 33 LEU CD1 C 13 23.0 0.1 . 1 . . . . . . . . 4863 1 289 . 1 1 33 33 LEU CD2 C 13 20.7 0.1 . 1 . . . . . . . . 4863 1 290 . 1 1 33 33 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 4863 1 291 . 1 1 34 34 LYS H H 1 8.30 0.01 . 1 . . . . . . . . 4863 1 292 . 1 1 34 34 LYS HA H 1 3.80 0.01 . 1 . . . . . . . . 4863 1 293 . 1 1 34 34 LYS HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4863 1 294 . 1 1 34 34 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . 4863 1 295 . 1 1 34 34 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 4863 1 296 . 1 1 34 34 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 4863 1 297 . 1 1 34 34 LYS CA C 13 55.6 0.1 . 1 . . . . . . . . 4863 1 298 . 1 1 34 34 LYS CB C 13 29.3 0.1 . 1 . . . . . . . . 4863 1 299 . 1 1 34 34 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 4863 1 300 . 1 1 35 35 GLU H H 1 7.08 0.01 . 1 . . . . . . . . 4863 1 301 . 1 1 35 35 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 4863 1 302 . 1 1 35 35 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4863 1 303 . 1 1 35 35 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 4863 1 304 . 1 1 35 35 GLU HG2 H 1 2.40 0.01 . 2 . . . . . . . . 4863 1 305 . 1 1 35 35 GLU HG3 H 1 2.18 0.01 . 2 . . . . . . . . 4863 1 306 . 1 1 35 35 GLU CA C 13 55.4 0.1 . 1 . . . . . . . . 4863 1 307 . 1 1 35 35 GLU CB C 13 26.5 0.1 . 1 . . . . . . . . 4863 1 308 . 1 1 35 35 GLU CG C 13 33.0 0.1 . 1 . . . . . . . . 4863 1 309 . 1 1 35 35 GLU N N 15 114.4 0.1 . 1 . . . . . . . . 4863 1 310 . 1 1 36 36 VAL H H 1 6.88 0.01 . 1 . . . . . . . . 4863 1 311 . 1 1 36 36 VAL HA H 1 3.64 0.01 . 1 . . . . . . . . 4863 1 312 . 1 1 36 36 VAL HB H 1 1.73 0.01 . 1 . . . . . . . . 4863 1 313 . 1 1 36 36 VAL HG11 H 1 0.88 0.01 . 2 . . . . . . . . 4863 1 314 . 1 1 36 36 VAL HG12 H 1 0.88 0.01 . 2 . . . . . . . . 4863 1 315 . 1 1 36 36 VAL HG13 H 1 0.88 0.01 . 2 . . . . . . . . 4863 1 316 . 1 1 36 36 VAL HG21 H 1 0.07 0.01 . 2 . . . . . . . . 4863 1 317 . 1 1 36 36 VAL HG22 H 1 0.07 0.01 . 2 . . . . . . . . 4863 1 318 . 1 1 36 36 VAL HG23 H 1 0.07 0.01 . 2 . . . . . . . . 4863 1 319 . 1 1 36 36 VAL CA C 13 61.5 0.1 . 1 . . . . . . . . 4863 1 320 . 1 1 36 36 VAL CB C 13 29.5 0.1 . 1 . . . . . . . . 4863 1 321 . 1 1 36 36 VAL CG1 C 13 18.5 0.1 . 2 . . . . . . . . 4863 1 322 . 1 1 36 36 VAL CG2 C 13 16.9 0.1 . 2 . . . . . . . . 4863 1 323 . 1 1 36 36 VAL N N 15 116.7 0.1 . 1 . . . . . . . . 4863 1 324 . 1 1 37 37 PHE H H 1 8.23 0.01 . 1 . . . . . . . . 4863 1 325 . 1 1 37 37 PHE HA H 1 4.97 0.01 . 1 . . . . . . . . 4863 1 326 . 1 1 37 37 PHE HB2 H 1 2.81 0.01 . 2 . . . . . . . . 4863 1 327 . 1 1 37 37 PHE HB3 H 1 2.76 0.01 . 2 . . . . . . . . 4863 1 328 . 1 1 37 37 PHE HD1 H 1 7.46 0.01 . 1 . . . . . . . . 4863 1 329 . 1 1 37 37 PHE HD2 H 1 7.46 0.01 . 1 . . . . . . . . 4863 1 330 . 1 1 37 37 PHE HE1 H 1 6.97 0.01 . 1 . . . . . . . . 4863 1 331 . 1 1 37 37 PHE HE2 H 1 6.97 0.01 . 1 . . . . . . . . 4863 1 332 . 1 1 37 37 PHE HZ H 1 6.85 0.01 . 3 . . . . . . . . 4863 1 333 . 1 1 37 37 PHE CA C 13 52.5 0.1 . 1 . . . . . . . . 4863 1 334 . 1 1 37 37 PHE CB C 13 34.7 0.1 . 1 . . . . . . . . 4863 1 335 . 1 1 37 37 PHE N N 15 118.8 0.1 . 1 . . . . . . . . 4863 1 336 . 1 1 38 38 GLU H H 1 7.48 0.01 . 1 . . . . . . . . 4863 1 337 . 1 1 38 38 GLU HA H 1 4.22 0.01 . 1 . . . . . . . . 4863 1 338 . 1 1 38 38 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4863 1 339 . 1 1 38 38 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4863 1 340 . 1 1 38 38 GLU HG2 H 1 2.22 0.01 . 1 . . . . . . . . 4863 1 341 . 1 1 38 38 GLU HG3 H 1 2.22 0.01 . 1 . . . . . . . . 4863 1 342 . 1 1 38 38 GLU CA C 13 56.1 0.1 . 1 . . . . . . . . 4863 1 343 . 1 1 38 38 GLU CB C 13 26.8 0.1 . 1 . . . . . . . . 4863 1 344 . 1 1 38 38 GLU CG C 13 32.9 0.1 . 1 . . . . . . . . 4863 1 345 . 1 1 38 38 GLU N N 15 120.7 0.1 . 1 . . . . . . . . 4863 1 346 . 1 1 39 39 ASP H H 1 9.02 0.01 . 1 . . . . . . . . 4863 1 347 . 1 1 39 39 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 4863 1 348 . 1 1 39 39 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4863 1 349 . 1 1 39 39 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 4863 1 350 . 1 1 39 39 ASP CA C 13 51.4 0.1 . 1 . . . . . . . . 4863 1 351 . 1 1 39 39 ASP CB C 13 37.6 0.1 . 1 . . . . . . . . 4863 1 352 . 1 1 39 39 ASP N N 15 115.5 0.1 . 1 . . . . . . . . 4863 1 353 . 1 1 40 40 ALA H H 1 7.77 0.01 . 1 . . . . . . . . 4863 1 354 . 1 1 40 40 ALA HA H 1 3.47 0.01 . 1 . . . . . . . . 4863 1 355 . 1 1 40 40 ALA HB1 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 356 . 1 1 40 40 ALA HB2 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 357 . 1 1 40 40 ALA HB3 H 1 0.84 0.01 . 1 . . . . . . . . 4863 1 358 . 1 1 40 40 ALA CA C 13 50.4 0.1 . 1 . . . . . . . . 4863 1 359 . 1 1 40 40 ALA CB C 13 15.2 0.1 . 1 . . . . . . . . 4863 1 360 . 1 1 40 40 ALA N N 15 121.4 0.1 . 1 . . . . . . . . 4863 1 361 . 1 1 41 41 LEU H H 1 9.10 0.01 . 1 . . . . . . . . 4863 1 362 . 1 1 41 41 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . 4863 1 363 . 1 1 41 41 LEU HB2 H 1 1.38 0.01 . 2 . . . . . . . . 4863 1 364 . 1 1 41 41 LEU HB3 H 1 1.23 0.01 . 2 . . . . . . . . 4863 1 365 . 1 1 41 41 LEU HG H 1 1.40 0.01 . 1 . . . . . . . . 4863 1 366 . 1 1 41 41 LEU HD11 H 1 0.77 0.01 . 1 . . . . . . . . 4863 1 367 . 1 1 41 41 LEU HD12 H 1 0.77 0.01 . 1 . . . . . . . . 4863 1 368 . 1 1 41 41 LEU HD13 H 1 0.77 0.01 . 1 . . . . . . . . 4863 1 369 . 1 1 41 41 LEU HD21 H 1 0.77 0.01 . 1 . . . . . . . . 4863 1 370 . 1 1 41 41 LEU HD22 H 1 0.77 0.01 . 1 . . . . . . . . 4863 1 371 . 1 1 41 41 LEU HD23 H 1 0.77 0.01 . 1 . . . . . . . . 4863 1 372 . 1 1 41 41 LEU CA C 13 53.1 0.1 . 1 . . . . . . . . 4863 1 373 . 1 1 41 41 LEU CB C 13 40.5 0.1 . 1 . . . . . . . . 4863 1 374 . 1 1 41 41 LEU CG C 13 24.0 0.1 . 1 . . . . . . . . 4863 1 375 . 1 1 41 41 LEU CD1 C 13 20.5 0.1 . 1 . . . . . . . . 4863 1 376 . 1 1 41 41 LEU CD2 C 13 20.5 0.1 . 1 . . . . . . . . 4863 1 377 . 1 1 41 41 LEU N N 15 121.4 0.1 . 1 . . . . . . . . 4863 1 378 . 1 1 42 42 GLU H H 1 7.45 0.01 . 1 . . . . . . . . 4863 1 379 . 1 1 42 42 GLU HA H 1 4.39 0.01 . 1 . . . . . . . . 4863 1 380 . 1 1 42 42 GLU HB2 H 1 1.76 0.01 . 1 . . . . . . . . 4863 1 381 . 1 1 42 42 GLU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 4863 1 382 . 1 1 42 42 GLU HG2 H 1 2.08 0.01 . 2 . . . . . . . . 4863 1 383 . 1 1 42 42 GLU HG3 H 1 1.99 0.01 . 2 . . . . . . . . 4863 1 384 . 1 1 42 42 GLU CA C 13 52.6 0.1 . 1 . . . . . . . . 4863 1 385 . 1 1 42 42 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 4863 1 386 . 1 1 42 42 GLU CG C 13 33.2 0.1 . 1 . . . . . . . . 4863 1 387 . 1 1 42 42 GLU N N 15 115.1 0.1 . 1 . . . . . . . . 4863 1 388 . 1 1 43 43 ILE H H 1 8.65 0.01 . 1 . . . . . . . . 4863 1 389 . 1 1 43 43 ILE HA H 1 4.58 0.01 . 1 . . . . . . . . 4863 1 390 . 1 1 43 43 ILE HB H 1 1.59 0.01 . 1 . . . . . . . . 4863 1 391 . 1 1 43 43 ILE HG12 H 1 1.36 0.01 . 2 . . . . . . . . 4863 1 392 . 1 1 43 43 ILE HG13 H 1 0.89 0.01 . 2 . . . . . . . . 4863 1 393 . 1 1 43 43 ILE HG21 H 1 0.66 0.01 . 1 . . . . . . . . 4863 1 394 . 1 1 43 43 ILE HG22 H 1 0.66 0.01 . 1 . . . . . . . . 4863 1 395 . 1 1 43 43 ILE HG23 H 1 0.66 0.01 . 1 . . . . . . . . 4863 1 396 . 1 1 43 43 ILE HD11 H 1 0.67 0.01 . 1 . . . . . . . . 4863 1 397 . 1 1 43 43 ILE HD12 H 1 0.67 0.01 . 1 . . . . . . . . 4863 1 398 . 1 1 43 43 ILE HD13 H 1 0.67 0.01 . 1 . . . . . . . . 4863 1 399 . 1 1 43 43 ILE CA C 13 57.5 0.1 . 1 . . . . . . . . 4863 1 400 . 1 1 43 43 ILE CB C 13 37.4 0.1 . 1 . . . . . . . . 4863 1 401 . 1 1 43 43 ILE CG1 C 13 24.9 0.1 . 1 . . . . . . . . 4863 1 402 . 1 1 43 43 ILE CG2 C 13 15.0 0.1 . 1 . . . . . . . . 4863 1 403 . 1 1 43 43 ILE CD1 C 13 10.6 0.1 . 1 . . . . . . . . 4863 1 404 . 1 1 43 43 ILE N N 15 124.4 0.1 . 1 . . . . . . . . 4863 1 405 . 1 1 44 44 ARG H H 1 8.97 0.01 . 1 . . . . . . . . 4863 1 406 . 1 1 44 44 ARG HA H 1 4.80 0.01 . 1 . . . . . . . . 4863 1 407 . 1 1 44 44 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 4863 1 408 . 1 1 44 44 ARG HB3 H 1 1.70 0.01 . 2 . . . . . . . . 4863 1 409 . 1 1 44 44 ARG HG2 H 1 1.42 0.01 . 1 . . . . . . . . 4863 1 410 . 1 1 44 44 ARG HG3 H 1 1.42 0.01 . 1 . . . . . . . . 4863 1 411 . 1 1 44 44 ARG HD2 H 1 3.03 0.01 . 2 . . . . . . . . 4863 1 412 . 1 1 44 44 ARG HD3 H 1 3.23 0.01 . 2 . . . . . . . . 4863 1 413 . 1 1 44 44 ARG HE H 1 7.33 0.01 . 1 . . . . . . . . 4863 1 414 . 1 1 44 44 ARG CA C 13 51.5 0.1 . 1 . . . . . . . . 4863 1 415 . 1 1 44 44 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . 4863 1 416 . 1 1 44 44 ARG CG C 13 24.0 0.1 . 1 . . . . . . . . 4863 1 417 . 1 1 44 44 ARG N N 15 125.9 0.1 . 1 . . . . . . . . 4863 1 418 . 1 1 45 45 LEU H H 1 9.20 0.01 . 1 . . . . . . . . 4863 1 419 . 1 1 45 45 LEU HA H 1 4.46 0.01 . 1 . . . . . . . . 4863 1 420 . 1 1 45 45 LEU HB2 H 1 1.62 0.01 . 1 . . . . . . . . 4863 1 421 . 1 1 45 45 LEU HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4863 1 422 . 1 1 45 45 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 4863 1 423 . 1 1 45 45 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 4863 1 424 . 1 1 45 45 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 4863 1 425 . 1 1 45 45 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 4863 1 426 . 1 1 45 45 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . 4863 1 427 . 1 1 45 45 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . 4863 1 428 . 1 1 45 45 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . 4863 1 429 . 1 1 45 45 LEU CA C 13 51.9 0.1 . 1 . . . . . . . . 4863 1 430 . 1 1 45 45 LEU CB C 13 40.8 0.1 . 1 . . . . . . . . 4863 1 431 . 1 1 45 45 LEU CG C 13 24.5 0.1 . 1 . . . . . . . . 4863 1 432 . 1 1 45 45 LEU CD1 C 13 21.8 0.1 . 1 . . . . . . . . 4863 1 433 . 1 1 45 45 LEU CD2 C 13 21.8 0.1 . 1 . . . . . . . . 4863 1 434 . 1 1 45 45 LEU N N 15 126.2 0.1 . 1 . . . . . . . . 4863 1 435 . 1 1 46 46 VAL H H 1 8.40 0.01 . 1 . . . . . . . . 4863 1 436 . 1 1 46 46 VAL HA H 1 4.11 0.01 . 1 . . . . . . . . 4863 1 437 . 1 1 46 46 VAL HB H 1 1.91 0.01 . 1 . . . . . . . . 4863 1 438 . 1 1 46 46 VAL HG11 H 1 0.95 0.01 . 2 . . . . . . . . 4863 1 439 . 1 1 46 46 VAL HG12 H 1 0.95 0.01 . 2 . . . . . . . . 4863 1 440 . 1 1 46 46 VAL HG13 H 1 0.95 0.01 . 2 . . . . . . . . 4863 1 441 . 1 1 46 46 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . 4863 1 442 . 1 1 46 46 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . 4863 1 443 . 1 1 46 46 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . 4863 1 444 . 1 1 46 46 VAL CA C 13 60.0 0.1 . 1 . . . . . . . . 4863 1 445 . 1 1 46 46 VAL CB C 13 29.1 0.1 . 1 . . . . . . . . 4863 1 446 . 1 1 46 46 VAL CG1 C 13 18.7 0.1 . 2 . . . . . . . . 4863 1 447 . 1 1 46 46 VAL CG2 C 13 18.1 0.1 . 2 . . . . . . . . 4863 1 448 . 1 1 46 46 VAL N N 15 125.9 0.1 . 1 . . . . . . . . 4863 1 449 . 1 1 47 47 SER H H 1 8.47 0.01 . 1 . . . . . . . . 4863 1 450 . 1 1 47 47 SER HA H 1 4.95 0.01 . 1 . . . . . . . . 4863 1 451 . 1 1 47 47 SER HB2 H 1 3.51 0.01 . 1 . . . . . . . . 4863 1 452 . 1 1 47 47 SER HB3 H 1 3.51 0.01 . 1 . . . . . . . . 4863 1 453 . 1 1 47 47 SER CA C 13 54.4 0.1 . 1 . . . . . . . . 4863 1 454 . 1 1 47 47 SER CB C 13 62.7 0.1 . 1 . . . . . . . . 4863 1 455 . 1 1 47 47 SER N N 15 121.3 0.1 . 1 . . . . . . . . 4863 1 456 . 1 1 48 48 GLN H H 1 8.74 0.01 . 1 . . . . . . . . 4863 1 457 . 1 1 48 48 GLN HA H 1 4.46 0.01 . 1 . . . . . . . . 4863 1 458 . 1 1 48 48 GLN HB2 H 1 1.90 0.01 . 1 . . . . . . . . 4863 1 459 . 1 1 48 48 GLN HB3 H 1 1.90 0.01 . 1 . . . . . . . . 4863 1 460 . 1 1 48 48 GLN HG2 H 1 2.22 0.01 . 1 . . . . . . . . 4863 1 461 . 1 1 48 48 GLN HG3 H 1 2.22 0.01 . 1 . . . . . . . . 4863 1 462 . 1 1 48 48 GLN HE21 H 1 7.58 0.01 . 1 . . . . . . . . 4863 1 463 . 1 1 48 48 GLN HE22 H 1 6.88 0.01 . 1 . . . . . . . . 4863 1 464 . 1 1 48 48 GLN CA C 13 52.1 0.1 . 1 . . . . . . . . 4863 1 465 . 1 1 48 48 GLN CB C 13 28.3 0.1 . 1 . . . . . . . . 4863 1 466 . 1 1 48 48 GLN CG C 13 31.0 0.1 . 1 . . . . . . . . 4863 1 467 . 1 1 48 48 GLN N N 15 121.3 0.1 . 1 . . . . . . . . 4863 1 468 . 1 1 48 48 GLN NE2 N 15 112.0 0.1 . 1 . . . . . . . . 4863 1 469 . 1 1 49 49 ASP H H 1 9.30 0.01 . 1 . . . . . . . . 4863 1 470 . 1 1 49 49 ASP HA H 1 4.36 0.01 . 1 . . . . . . . . 4863 1 471 . 1 1 49 49 ASP HB2 H 1 2.85 0.01 . 2 . . . . . . . . 4863 1 472 . 1 1 49 49 ASP HB3 H 1 2.67 0.01 . 2 . . . . . . . . 4863 1 473 . 1 1 49 49 ASP CA C 13 52.3 0.1 . 1 . . . . . . . . 4863 1 474 . 1 1 49 49 ASP CB C 13 37.0 0.1 . 1 . . . . . . . . 4863 1 475 . 1 1 49 49 ASP N N 15 125.3 0.1 . 1 . . . . . . . . 4863 1 476 . 1 1 50 50 GLY H H 1 8.58 0.01 . 1 . . . . . . . . 4863 1 477 . 1 1 50 50 GLY HA2 H 1 4.09 0.01 . 2 . . . . . . . . 4863 1 478 . 1 1 50 50 GLY HA3 H 1 3.59 0.01 . 2 . . . . . . . . 4863 1 479 . 1 1 50 50 GLY CA C 13 42.3 0.1 . 1 . . . . . . . . 4863 1 480 . 1 1 50 50 GLY N N 15 104.0 0.1 . 1 . . . . . . . . 4863 1 481 . 1 1 51 51 LYS H H 1 7.78 0.01 . 1 . . . . . . . . 4863 1 482 . 1 1 51 51 LYS HA H 1 4.57 0.01 . 1 . . . . . . . . 4863 1 483 . 1 1 51 51 LYS HB2 H 1 1.81 0.01 . 2 . . . . . . . . 4863 1 484 . 1 1 51 51 LYS HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4863 1 485 . 1 1 51 51 LYS HG2 H 1 1.33 0.01 . 1 . . . . . . . . 4863 1 486 . 1 1 51 51 LYS HG3 H 1 1.33 0.01 . 1 . . . . . . . . 4863 1 487 . 1 1 51 51 LYS HE2 H 1 2.91 0.01 . 1 . . . . . . . . 4863 1 488 . 1 1 51 51 LYS HE3 H 1 2.91 0.01 . 1 . . . . . . . . 4863 1 489 . 1 1 51 51 LYS CA C 13 51.7 0.1 . 1 . . . . . . . . 4863 1 490 . 1 1 51 51 LYS CB C 13 31.2 0.1 . 1 . . . . . . . . 4863 1 491 . 1 1 51 51 LYS CG C 13 21.3 0.1 . 1 . . . . . . . . 4863 1 492 . 1 1 51 51 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 4863 1 493 . 1 1 52 52 SER H H 1 8.62 0.01 . 1 . . . . . . . . 4863 1 494 . 1 1 52 52 SER HA H 1 4.38 0.01 . 1 . . . . . . . . 4863 1 495 . 1 1 52 52 SER HB2 H 1 4.05 0.01 . 1 . . . . . . . . 4863 1 496 . 1 1 52 52 SER HB3 H 1 3.96 0.01 . 1 . . . . . . . . 4863 1 497 . 1 1 52 52 SER CA C 13 55.4 0.1 . 1 . . . . . . . . 4863 1 498 . 1 1 52 52 SER CB C 13 61.2 0.1 . 1 . . . . . . . . 4863 1 499 . 1 1 52 52 SER N N 15 117.5 0.1 . 1 . . . . . . . . 4863 1 500 . 1 1 53 53 LYS H H 1 8.68 0.01 . 1 . . . . . . . . 4863 1 501 . 1 1 53 53 LYS HA H 1 4.38 0.01 . 1 . . . . . . . . 4863 1 502 . 1 1 53 53 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4863 1 503 . 1 1 53 53 LYS HB3 H 1 1.49 0.01 . 2 . . . . . . . . 4863 1 504 . 1 1 53 53 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 4863 1 505 . 1 1 53 53 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 4863 1 506 . 1 1 53 53 LYS CA C 13 52.6 0.1 . 1 . . . . . . . . 4863 1 507 . 1 1 53 53 LYS CB C 13 29.6 0.1 . 1 . . . . . . . . 4863 1 508 . 1 1 53 53 LYS CG C 13 21.7 0.1 . 1 . . . . . . . . 4863 1 509 . 1 1 53 53 LYS N N 15 121.8 0.1 . 1 . . . . . . . . 4863 1 510 . 1 1 54 54 GLY H H 1 9.03 0.01 . 1 . . . . . . . . 4863 1 511 . 1 1 54 54 GLY HA2 H 1 3.93 0.01 . 2 . . . . . . . . 4863 1 512 . 1 1 54 54 GLY HA3 H 1 3.51 0.01 . 2 . . . . . . . . 4863 1 513 . 1 1 54 54 GLY CA C 13 43.6 0.1 . 1 . . . . . . . . 4863 1 514 . 1 1 54 54 GLY N N 15 109.0 0.1 . 1 . . . . . . . . 4863 1 515 . 1 1 55 55 ILE H H 1 6.97 0.01 . 1 . . . . . . . . 4863 1 516 . 1 1 55 55 ILE HA H 1 5.20 0.01 . 1 . . . . . . . . 4863 1 517 . 1 1 55 55 ILE HB H 1 1.42 0.01 . 1 . . . . . . . . 4863 1 518 . 1 1 55 55 ILE HG12 H 1 1.44 0.01 . 1 . . . . . . . . 4863 1 519 . 1 1 55 55 ILE HG13 H 1 1.44 0.01 . 1 . . . . . . . . 4863 1 520 . 1 1 55 55 ILE HG21 H 1 0.75 0.01 . 1 . . . . . . . . 4863 1 521 . 1 1 55 55 ILE HG22 H 1 0.75 0.01 . 1 . . . . . . . . 4863 1 522 . 1 1 55 55 ILE HG23 H 1 0.75 0.01 . 1 . . . . . . . . 4863 1 523 . 1 1 55 55 ILE HD11 H 1 0.79 0.01 . 1 . . . . . . . . 4863 1 524 . 1 1 55 55 ILE HD12 H 1 0.79 0.01 . 1 . . . . . . . . 4863 1 525 . 1 1 55 55 ILE HD13 H 1 0.79 0.01 . 1 . . . . . . . . 4863 1 526 . 1 1 55 55 ILE CA C 13 55.9 0.1 . 1 . . . . . . . . 4863 1 527 . 1 1 55 55 ILE CB C 13 39.9 0.1 . 1 . . . . . . . . 4863 1 528 . 1 1 55 55 ILE CG1 C 13 24.1 0.1 . 1 . . . . . . . . 4863 1 529 . 1 1 55 55 ILE CG2 C 13 14.7 0.1 . 1 . . . . . . . . 4863 1 530 . 1 1 55 55 ILE CD1 C 13 10.9 0.1 . 1 . . . . . . . . 4863 1 531 . 1 1 55 55 ILE N N 15 113.4 0.1 . 1 . . . . . . . . 4863 1 532 . 1 1 56 56 ALA H H 1 8.90 0.01 . 1 . . . . . . . . 4863 1 533 . 1 1 56 56 ALA HA H 1 5.16 0.01 . 1 . . . . . . . . 4863 1 534 . 1 1 56 56 ALA HB1 H 1 0.94 0.01 . 1 . . . . . . . . 4863 1 535 . 1 1 56 56 ALA HB2 H 1 0.94 0.01 . 1 . . . . . . . . 4863 1 536 . 1 1 56 56 ALA HB3 H 1 0.94 0.01 . 1 . . . . . . . . 4863 1 537 . 1 1 56 56 ALA CA C 13 47.1 0.1 . 1 . . . . . . . . 4863 1 538 . 1 1 56 56 ALA CB C 13 20.6 0.1 . 1 . . . . . . . . 4863 1 539 . 1 1 56 56 ALA N N 15 123.4 0.1 . 1 . . . . . . . . 4863 1 540 . 1 1 57 57 TYR H H 1 8.75 0.01 . 1 . . . . . . . . 4863 1 541 . 1 1 57 57 TYR HA H 1 5.04 0.01 . 1 . . . . . . . . 4863 1 542 . 1 1 57 57 TYR HB2 H 1 2.64 0.01 . 1 . . . . . . . . 4863 1 543 . 1 1 57 57 TYR HB3 H 1 2.64 0.01 . 1 . . . . . . . . 4863 1 544 . 1 1 57 57 TYR HD1 H 1 6.87 0.01 . 1 . . . . . . . . 4863 1 545 . 1 1 57 57 TYR HD2 H 1 6.87 0.01 . 1 . . . . . . . . 4863 1 546 . 1 1 57 57 TYR HE1 H 1 6.69 0.01 . 1 . . . . . . . . 4863 1 547 . 1 1 57 57 TYR HE2 H 1 6.69 0.01 . 1 . . . . . . . . 4863 1 548 . 1 1 57 57 TYR CA C 13 54.3 0.1 . 1 . . . . . . . . 4863 1 549 . 1 1 57 57 TYR CB C 13 37.1 0.1 . 1 . . . . . . . . 4863 1 550 . 1 1 57 57 TYR N N 15 118.3 0.1 . 1 . . . . . . . . 4863 1 551 . 1 1 58 58 ILE H H 1 9.27 0.01 . 1 . . . . . . . . 4863 1 552 . 1 1 58 58 ILE HA H 1 4.20 0.01 . 1 . . . . . . . . 4863 1 553 . 1 1 58 58 ILE HB H 1 1.41 0.01 . 1 . . . . . . . . 4863 1 554 . 1 1 58 58 ILE HG12 H 1 0.94 0.01 . 2 . . . . . . . . 4863 1 555 . 1 1 58 58 ILE HG13 H 1 0.45 0.01 . 2 . . . . . . . . 4863 1 556 . 1 1 58 58 ILE HG21 H 1 -0.1 0.01 . 1 . . . . . . . . 4863 1 557 . 1 1 58 58 ILE HG22 H 1 -0.1 0.01 . 1 . . . . . . . . 4863 1 558 . 1 1 58 58 ILE HG23 H 1 -0.1 0.01 . 1 . . . . . . . . 4863 1 559 . 1 1 58 58 ILE HD11 H 1 -0.07 0.01 . 1 . . . . . . . . 4863 1 560 . 1 1 58 58 ILE HD12 H 1 -0.07 0.01 . 1 . . . . . . . . 4863 1 561 . 1 1 58 58 ILE HD13 H 1 -0.07 0.01 . 1 . . . . . . . . 4863 1 562 . 1 1 58 58 ILE CA C 13 57.3 0.1 . 1 . . . . . . . . 4863 1 563 . 1 1 58 58 ILE CB C 13 36.1 0.1 . 1 . . . . . . . . 4863 1 564 . 1 1 58 58 ILE CG1 C 13 23.0 0.1 . 1 . . . . . . . . 4863 1 565 . 1 1 58 58 ILE CG2 C 13 16.9 0.1 . 1 . . . . . . . . 4863 1 566 . 1 1 58 58 ILE CD1 C 13 10.3 0.1 . 1 . . . . . . . . 4863 1 567 . 1 1 58 58 ILE N N 15 122.9 0.1 . 1 . . . . . . . . 4863 1 568 . 1 1 59 59 GLU H H 1 8.80 0.01 . 1 . . . . . . . . 4863 1 569 . 1 1 59 59 GLU HA H 1 4.77 0.01 . 1 . . . . . . . . 4863 1 570 . 1 1 59 59 GLU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4863 1 571 . 1 1 59 59 GLU HB3 H 1 1.75 0.01 . 2 . . . . . . . . 4863 1 572 . 1 1 59 59 GLU HG2 H 1 2.26 0.01 . 2 . . . . . . . . 4863 1 573 . 1 1 59 59 GLU HG3 H 1 1.81 0.01 . 2 . . . . . . . . 4863 1 574 . 1 1 59 59 GLU CA C 13 52.6 0.1 . 1 . . . . . . . . 4863 1 575 . 1 1 59 59 GLU CB C 13 28.7 0.1 . 1 . . . . . . . . 4863 1 576 . 1 1 59 59 GLU CG C 13 33.3 0.1 . 1 . . . . . . . . 4863 1 577 . 1 1 59 59 GLU N N 15 127.8 0.1 . 1 . . . . . . . . 4863 1 578 . 1 1 60 60 PHE H H 1 9.16 0.01 . 1 . . . . . . . . 4863 1 579 . 1 1 60 60 PHE HA H 1 4.52 0.01 . 1 . . . . . . . . 4863 1 580 . 1 1 60 60 PHE HB2 H 1 3.68 0.01 . 2 . . . . . . . . 4863 1 581 . 1 1 60 60 PHE HB3 H 1 3.12 0.01 . 2 . . . . . . . . 4863 1 582 . 1 1 60 60 PHE HD1 H 1 7.43 0.01 . 1 . . . . . . . . 4863 1 583 . 1 1 60 60 PHE HD2 H 1 7.43 0.01 . 1 . . . . . . . . 4863 1 584 . 1 1 60 60 PHE HE1 H 1 6.95 0.01 . 1 . . . . . . . . 4863 1 585 . 1 1 60 60 PHE HE2 H 1 6.95 0.01 . 1 . . . . . . . . 4863 1 586 . 1 1 60 60 PHE HZ H 1 6.85 0.01 . 1 . . . . . . . . 4863 1 587 . 1 1 60 60 PHE CA C 13 55.6 0.1 . 1 . . . . . . . . 4863 1 588 . 1 1 60 60 PHE CB C 13 37.9 0.1 . 1 . . . . . . . . 4863 1 589 . 1 1 60 60 PHE N N 15 124.4 0.1 . 1 . . . . . . . . 4863 1 590 . 1 1 61 61 LYS H H 1 10.34 0.01 . 1 . . . . . . . . 4863 1 591 . 1 1 61 61 LYS HA H 1 4.10 0.01 . 1 . . . . . . . . 4863 1 592 . 1 1 61 61 LYS HB2 H 1 1.97 0.01 . 1 . . . . . . . . 4863 1 593 . 1 1 61 61 LYS HB3 H 1 1.97 0.01 . 1 . . . . . . . . 4863 1 594 . 1 1 61 61 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 4863 1 595 . 1 1 61 61 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 4863 1 596 . 1 1 61 61 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 4863 1 597 . 1 1 61 61 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 4863 1 598 . 1 1 61 61 LYS CA C 13 55.3 0.1 . 1 . . . . . . . . 4863 1 599 . 1 1 61 61 LYS CB C 13 30.2 0.1 . 1 . . . . . . . . 4863 1 600 . 1 1 61 61 LYS CG C 13 23.6 0.1 . 1 . . . . . . . . 4863 1 601 . 1 1 61 61 LYS CD C 13 27.0 0.1 . 1 . . . . . . . . 4863 1 602 . 1 1 61 61 LYS N N 15 116.7 0.1 . 1 . . . . . . . . 4863 1 603 . 1 1 62 62 SER H H 1 7.52 0.01 . 1 . . . . . . . . 4863 1 604 . 1 1 62 62 SER HA H 1 4.66 0.01 . 1 . . . . . . . . 4863 1 605 . 1 1 62 62 SER HB2 H 1 4.21 0.01 . 2 . . . . . . . . 4863 1 606 . 1 1 62 62 SER HB3 H 1 3.91 0.01 . 2 . . . . . . . . 4863 1 607 . 1 1 62 62 SER CA C 13 53.0 0.1 . 1 . . . . . . . . 4863 1 608 . 1 1 62 62 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 4863 1 609 . 1 1 62 62 SER N N 15 107.0 0.1 . 1 . . . . . . . . 4863 1 610 . 1 1 63 63 GLU H H 1 9.35 0.01 . 1 . . . . . . . . 4863 1 611 . 1 1 63 63 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 4863 1 612 . 1 1 63 63 GLU HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4863 1 613 . 1 1 63 63 GLU HB3 H 1 1.99 0.01 . 1 . . . . . . . . 4863 1 614 . 1 1 63 63 GLU HG2 H 1 2.25 0.01 . 1 . . . . . . . . 4863 1 615 . 1 1 63 63 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 4863 1 616 . 1 1 63 63 GLU CA C 13 56.6 0.1 . 1 . . . . . . . . 4863 1 617 . 1 1 63 63 GLU CB C 13 26.0 0.1 . 1 . . . . . . . . 4863 1 618 . 1 1 63 63 GLU CG C 13 33.0 0.1 . 1 . . . . . . . . 4863 1 619 . 1 1 63 63 GLU N N 15 124.4 0.1 . 1 . . . . . . . . 4863 1 620 . 1 1 64 64 ALA H H 1 8.42 0.01 . 1 . . . . . . . . 4863 1 621 . 1 1 64 64 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 4863 1 622 . 1 1 64 64 ALA HB1 H 1 1.36 0.01 . 1 . . . . . . . . 4863 1 623 . 1 1 64 64 ALA HB2 H 1 1.36 0.01 . 1 . . . . . . . . 4863 1 624 . 1 1 64 64 ALA HB3 H 1 1.36 0.01 . 1 . . . . . . . . 4863 1 625 . 1 1 64 64 ALA CA C 13 52.1 0.1 . 1 . . . . . . . . 4863 1 626 . 1 1 64 64 ALA CB C 13 15.0 0.1 . 1 . . . . . . . . 4863 1 627 . 1 1 64 64 ALA N N 15 120.6 0.1 . 1 . . . . . . . . 4863 1 628 . 1 1 65 65 ASP H H 1 7.97 0.01 . 1 . . . . . . . . 4863 1 629 . 1 1 65 65 ASP HA H 1 4.33 0.01 . 1 . . . . . . . . 4863 1 630 . 1 1 65 65 ASP HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4863 1 631 . 1 1 65 65 ASP HB3 H 1 2.56 0.01 . 2 . . . . . . . . 4863 1 632 . 1 1 65 65 ASP CA C 13 53.7 0.1 . 1 . . . . . . . . 4863 1 633 . 1 1 65 65 ASP CB C 13 37.0 0.1 . . . . . . . . . . 4863 1 634 . 1 1 65 65 ASP N N 15 118.6 0.1 . 1 . . . . . . . . 4863 1 635 . 1 1 66 66 ALA H H 1 7.71 0.01 . 1 . . . . . . . . 4863 1 636 . 1 1 66 66 ALA HA H 1 3.03 0.01 . 1 . . . . . . . . 4863 1 637 . 1 1 66 66 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4863 1 638 . 1 1 66 66 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4863 1 639 . 1 1 66 66 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4863 1 640 . 1 1 66 66 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 4863 1 641 . 1 1 66 66 ALA CB C 13 14.0 0.1 . 1 . . . . . . . . 4863 1 642 . 1 1 66 66 ALA N N 15 125.0 0.1 . 1 . . . . . . . . 4863 1 643 . 1 1 67 67 GLU H H 1 8.32 0.01 . 1 . . . . . . . . 4863 1 644 . 1 1 67 67 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 4863 1 645 . 1 1 67 67 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4863 1 646 . 1 1 67 67 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 4863 1 647 . 1 1 67 67 GLU HG2 H 1 2.46 0.01 . 2 . . . . . . . . 4863 1 648 . 1 1 67 67 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 4863 1 649 . 1 1 67 67 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 4863 1 650 . 1 1 67 67 GLU CB C 13 26.5 0.1 . 1 . . . . . . . . 4863 1 651 . 1 1 67 67 GLU CG C 13 32.7 0.1 . 1 . . . . . . . . 4863 1 652 . 1 1 67 67 GLU N N 15 116.4 0.1 . 1 . . . . . . . . 4863 1 653 . 1 1 68 68 LYS H H 1 7.97 0.01 . 1 . . . . . . . . 4863 1 654 . 1 1 68 68 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 4863 1 655 . 1 1 68 68 LYS HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4863 1 656 . 1 1 68 68 LYS HB3 H 1 1.74 0.01 . 2 . . . . . . . . 4863 1 657 . 1 1 68 68 LYS HG2 H 1 1.41 0.01 . 1 . . . . . . . . 4863 1 658 . 1 1 68 68 LYS HG3 H 1 1.41 0.01 . 1 . . . . . . . . 4863 1 659 . 1 1 68 68 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 4863 1 660 . 1 1 68 68 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 4863 1 661 . 1 1 68 68 LYS CA C 13 55.9 0.1 . 1 . . . . . . . . 4863 1 662 . 1 1 68 68 LYS CB C 13 29.6 0.1 . 1 . . . . . . . . 4863 1 663 . 1 1 68 68 LYS CG C 13 21.4 0.1 . 1 . . . . . . . . 4863 1 664 . 1 1 68 68 LYS CD C 13 27.0 0.1 . 1 . . . . . . . . 4863 1 665 . 1 1 68 68 LYS N N 15 119.2 0.1 . 1 . . . . . . . . 4863 1 666 . 1 1 69 69 ASN H H 1 7.65 0.01 . 1 . . . . . . . . 4863 1 667 . 1 1 69 69 ASN HA H 1 4.18 0.01 . 1 . . . . . . . . 4863 1 668 . 1 1 69 69 ASN HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4863 1 669 . 1 1 69 69 ASN HB3 H 1 2.01 0.01 . 1 . . . . . . . . 4863 1 670 . 1 1 69 69 ASN HD21 H 1 7.99 0.01 . 1 . . . . . . . . 4863 1 671 . 1 1 69 69 ASN HD22 H 1 7.22 0.01 . 1 . . . . . . . . 4863 1 672 . 1 1 69 69 ASN CA C 13 54.4 0.1 . 1 . . . . . . . . 4863 1 673 . 1 1 69 69 ASN CB C 13 38.5 0.1 . 1 . . . . . . . . 4863 1 674 . 1 1 69 69 ASN N N 15 115.9 0.1 . 1 . . . . . . . . 4863 1 675 . 1 1 69 69 ASN ND2 N 15 113.9 0.1 . 1 . . . . . . . . 4863 1 676 . 1 1 70 70 LEU H H 1 8.17 0.01 . 1 . . . . . . . . 4863 1 677 . 1 1 70 70 LEU HA H 1 3.72 0.01 . 1 . . . . . . . . 4863 1 678 . 1 1 70 70 LEU HB2 H 1 1.80 0.01 . 2 . . . . . . . . 4863 1 679 . 1 1 70 70 LEU HB3 H 1 1.38 0.01 . 2 . . . . . . . . 4863 1 680 . 1 1 70 70 LEU HG H 1 1.25 0.01 . 1 . . . . . . . . 4863 1 681 . 1 1 70 70 LEU HD11 H 1 0.52 0.01 . 2 . . . . . . . . 4863 1 682 . 1 1 70 70 LEU HD12 H 1 0.52 0.01 . 2 . . . . . . . . 4863 1 683 . 1 1 70 70 LEU HD13 H 1 0.52 0.01 . 2 . . . . . . . . 4863 1 684 . 1 1 70 70 LEU HD21 H 1 0.20 0.01 . 2 . . . . . . . . 4863 1 685 . 1 1 70 70 LEU HD22 H 1 0.20 0.01 . 2 . . . . . . . . 4863 1 686 . 1 1 70 70 LEU HD23 H 1 0.20 0.01 . 2 . . . . . . . . 4863 1 687 . 1 1 70 70 LEU CA C 13 56.0 0.1 . 1 . . . . . . . . 4863 1 688 . 1 1 70 70 LEU CB C 13 37.8 0.1 . 1 . . . . . . . . 4863 1 689 . 1 1 70 70 LEU CG C 13 22.4 0.1 . 1 . . . . . . . . 4863 1 690 . 1 1 70 70 LEU CD1 C 13 22.7 0.1 . 1 . . . . . . . . 4863 1 691 . 1 1 70 70 LEU CD2 C 13 21.7 0.1 . 1 . . . . . . . . 4863 1 692 . 1 1 70 70 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 4863 1 693 . 1 1 71 71 GLU H H 1 7.62 0.01 . 1 . . . . . . . . 4863 1 694 . 1 1 71 71 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 4863 1 695 . 1 1 71 71 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4863 1 696 . 1 1 71 71 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4863 1 697 . 1 1 71 71 GLU HG2 H 1 2.37 0.01 . 2 . . . . . . . . 4863 1 698 . 1 1 71 71 GLU HG3 H 1 2.21 0.01 . 2 . . . . . . . . 4863 1 699 . 1 1 71 71 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 4863 1 700 . 1 1 71 71 GLU CB C 13 27.0 0.1 . 1 . . . . . . . . 4863 1 701 . 1 1 71 71 GLU CG C 13 33.0 0.1 . 1 . . . . . . . . 4863 1 702 . 1 1 71 71 GLU N N 15 114.4 0.1 . 1 . . . . . . . . 4863 1 703 . 1 1 72 72 GLU H H 1 8.24 0.01 . 1 . . . . . . . . 4863 1 704 . 1 1 72 72 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . 4863 1 705 . 1 1 72 72 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4863 1 706 . 1 1 72 72 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4863 1 707 . 1 1 72 72 GLU HG2 H 1 2.51 0.01 . 2 . . . . . . . . 4863 1 708 . 1 1 72 72 GLU HG3 H 1 2.17 0.01 . 2 . . . . . . . . 4863 1 709 . 1 1 72 72 GLU CA C 13 55.6 0.1 . 1 . . . . . . . . 4863 1 710 . 1 1 72 72 GLU CB C 13 28.3 0.1 . 1 . . . . . . . . 4863 1 711 . 1 1 72 72 GLU CG C 13 33.8 0.1 . 1 . . . . . . . . 4863 1 712 . 1 1 72 72 GLU N N 15 114.5 0.1 . 1 . . . . . . . . 4863 1 713 . 1 1 73 73 LYS H H 1 8.27 0.01 . 1 . . . . . . . . 4863 1 714 . 1 1 73 73 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 4863 1 715 . 1 1 73 73 LYS HB2 H 1 1.75 0.01 . 1 . . . . . . . . 4863 1 716 . 1 1 73 73 LYS HB3 H 1 1.75 0.01 . 1 . . . . . . . . 4863 1 717 . 1 1 73 73 LYS HG2 H 1 1.24 0.01 . 1 . . . . . . . . 4863 1 718 . 1 1 73 73 LYS HG3 H 1 1.24 0.01 . 1 . . . . . . . . 4863 1 719 . 1 1 73 73 LYS CA C 13 52.6 0.1 . 1 . . . . . . . . 4863 1 720 . 1 1 73 73 LYS CB C 13 29.9 0.1 . 1 . . . . . . . . 4863 1 721 . 1 1 73 73 LYS N N 15 114.3 0.1 . 1 . . . . . . . . 4863 1 722 . 1 1 74 74 GLN H H 1 6.38 0.01 . 1 . . . . . . . . 4863 1 723 . 1 1 74 74 GLN HA H 1 4.00 0.01 . 1 . . . . . . . . 4863 1 724 . 1 1 74 74 GLN HB2 H 1 1.97 0.01 . 2 . . . . . . . . 4863 1 725 . 1 1 74 74 GLN HB3 H 1 2.57 0.01 . 2 . . . . . . . . 4863 1 726 . 1 1 74 74 GLN HG2 H 1 2.49 0.01 . 1 . . . . . . . . 4863 1 727 . 1 1 74 74 GLN HG3 H 1 2.49 0.01 . 1 . . . . . . . . 4863 1 728 . 1 1 74 74 GLN HE21 H 1 7.56 0.01 . 1 . . . . . . . . 4863 1 729 . 1 1 74 74 GLN HE22 H 1 7.39 0.01 . 1 . . . . . . . . 4863 1 730 . 1 1 74 74 GLN CA C 13 54.7 0.1 . 1 . . . . . . . . 4863 1 731 . 1 1 74 74 GLN CB C 13 26.4 0.1 . 1 . . . . . . . . 4863 1 732 . 1 1 74 74 GLN CG C 13 30.6 0.1 . 1 . . . . . . . . 4863 1 733 . 1 1 74 74 GLN N N 15 118.9 0.1 . 1 . . . . . . . . 4863 1 734 . 1 1 74 74 GLN NE2 N 15 111.0 0.1 . 1 . . . . . . . . 4863 1 735 . 1 1 75 75 GLY H H 1 8.04 0.01 . 1 . . . . . . . . 4863 1 736 . 1 1 75 75 GLY HA2 H 1 3.98 0.01 . 1 . . . . . . . . 4863 1 737 . 1 1 75 75 GLY HA3 H 1 3.98 0.01 . 1 . . . . . . . . 4863 1 738 . 1 1 75 75 GLY CA C 13 42.3 0.1 . 1 . . . . . . . . 4863 1 739 . 1 1 75 75 GLY N N 15 117.6 0.1 . 1 . . . . . . . . 4863 1 740 . 1 1 76 76 ALA H H 1 8.15 0.01 . 1 . . . . . . . . 4863 1 741 . 1 1 76 76 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 4863 1 742 . 1 1 76 76 ALA HB1 H 1 1.23 0.01 . 1 . . . . . . . . 4863 1 743 . 1 1 76 76 ALA HB2 H 1 1.23 0.01 . 1 . . . . . . . . 4863 1 744 . 1 1 76 76 ALA HB3 H 1 1.23 0.01 . 1 . . . . . . . . 4863 1 745 . 1 1 76 76 ALA CA C 13 50.0 0.1 . 1 . . . . . . . . 4863 1 746 . 1 1 76 76 ALA CB C 13 15.0 0.1 . 1 . . . . . . . . 4863 1 747 . 1 1 76 76 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 4863 1 748 . 1 1 77 77 GLU H H 1 8.40 0.01 . 1 . . . . . . . . 4863 1 749 . 1 1 77 77 GLU HA H 1 4.25 0.01 . 1 . . . . . . . . 4863 1 750 . 1 1 77 77 GLU HB2 H 1 1.83 0.01 . 2 . . . . . . . . 4863 1 751 . 1 1 77 77 GLU HB3 H 1 1.70 0.01 . 2 . . . . . . . . 4863 1 752 . 1 1 77 77 GLU HG2 H 1 2.03 0.01 . 2 . . . . . . . . 4863 1 753 . 1 1 77 77 GLU HG3 H 1 1.80 0.01 . 2 . . . . . . . . 4863 1 754 . 1 1 77 77 GLU CA C 13 53.5 0.1 . 1 . . . . . . . . 4863 1 755 . 1 1 77 77 GLU CB C 13 27.1 0.1 . 1 . . . . . . . . 4863 1 756 . 1 1 77 77 GLU CG C 13 33.7 0.1 . 1 . . . . . . . . 4863 1 757 . 1 1 77 77 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 4863 1 758 . 1 1 78 78 ILE H H 1 8.60 0.01 . 1 . . . . . . . . 4863 1 759 . 1 1 78 78 ILE HA H 1 4.10 0.01 . 1 . . . . . . . . 4863 1 760 . 1 1 78 78 ILE HB H 1 1.73 0.01 . 1 . . . . . . . . 4863 1 761 . 1 1 78 78 ILE HG12 H 1 1.53 0.01 . 2 . . . . . . . . 4863 1 762 . 1 1 78 78 ILE HG13 H 1 0.85 0.01 . 2 . . . . . . . . 4863 1 763 . 1 1 78 78 ILE HG21 H 1 0.73 0.01 . 1 . . . . . . . . 4863 1 764 . 1 1 78 78 ILE HG22 H 1 0.73 0.01 . 1 . . . . . . . . 4863 1 765 . 1 1 78 78 ILE HG23 H 1 0.73 0.01 . 1 . . . . . . . . 4863 1 766 . 1 1 78 78 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 4863 1 767 . 1 1 78 78 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 4863 1 768 . 1 1 78 78 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 4863 1 769 . 1 1 78 78 ILE CA C 13 58.0 0.1 . 1 . . . . . . . . 4863 1 770 . 1 1 78 78 ILE CB C 13 36.7 0.1 . 1 . . . . . . . . 4863 1 771 . 1 1 78 78 ILE CG1 C 13 23.0 0.1 . 1 . . . . . . . . 4863 1 772 . 1 1 78 78 ILE CG2 C 13 14.6 0.1 . 1 . . . . . . . . 4863 1 773 . 1 1 78 78 ILE CD1 C 13 11.3 0.1 . 1 . . . . . . . . 4863 1 774 . 1 1 78 78 ILE N N 15 125.6 0.1 . 1 . . . . . . . . 4863 1 775 . 1 1 79 79 ASP H H 1 9.63 0.01 . 1 . . . . . . . . 4863 1 776 . 1 1 79 79 ASP HA H 1 4.22 0.01 . 1 . . . . . . . . 4863 1 777 . 1 1 79 79 ASP HB2 H 1 2.96 0.01 . 2 . . . . . . . . 4863 1 778 . 1 1 79 79 ASP HB3 H 1 2.32 0.01 . 2 . . . . . . . . 4863 1 779 . 1 1 79 79 ASP CA C 13 52.1 0.1 . 1 . . . . . . . . 4863 1 780 . 1 1 79 79 ASP CB C 13 37.1 0.1 . 1 . . . . . . . . 4863 1 781 . 1 1 79 79 ASP N N 15 130.0 0.1 . 1 . . . . . . . . 4863 1 782 . 1 1 80 80 GLY H H 1 8.55 0.01 . 1 . . . . . . . . 4863 1 783 . 1 1 80 80 GLY HA2 H 1 4.04 0.01 . 1 . . . . . . . . 4863 1 784 . 1 1 80 80 GLY HA3 H 1 3.60 0.01 . 1 . . . . . . . . 4863 1 785 . 1 1 80 80 GLY CA C 13 42.4 0.1 . 1 . . . . . . . . 4863 1 786 . 1 1 80 80 GLY N N 15 100.9 0.1 . 1 . . . . . . . . 4863 1 787 . 1 1 81 81 ARG H H 1 7.58 0.01 . 1 . . . . . . . . 4863 1 788 . 1 1 81 81 ARG HA H 1 4.67 0.01 . 1 . . . . . . . . 4863 1 789 . 1 1 81 81 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4863 1 790 . 1 1 81 81 ARG HB3 H 1 1.71 0.01 . 2 . . . . . . . . 4863 1 791 . 1 1 81 81 ARG HG2 H 1 1.48 0.01 . 1 . . . . . . . . 4863 1 792 . 1 1 81 81 ARG HG3 H 1 1.48 0.01 . 1 . . . . . . . . 4863 1 793 . 1 1 81 81 ARG HD2 H 1 3.04 0.01 . 2 . . . . . . . . 4863 1 794 . 1 1 81 81 ARG HD3 H 1 2.91 0.01 . 2 . . . . . . . . 4863 1 795 . 1 1 81 81 ARG HE H 1 6.54 0.01 . 1 . . . . . . . . 4863 1 796 . 1 1 81 81 ARG CA C 13 51.3 0.1 . 1 . . . . . . . . 4863 1 797 . 1 1 81 81 ARG CB C 13 30.2 0.1 . 1 . . . . . . . . 4863 1 798 . 1 1 81 81 ARG CG C 13 23.9 0.1 . 1 . . . . . . . . 4863 1 799 . 1 1 81 81 ARG N N 15 118.9 0.1 . 1 . . . . . . . . 4863 1 800 . 1 1 82 82 SER H H 1 8.87 0.01 . 1 . . . . . . . . 4863 1 801 . 1 1 82 82 SER HA H 1 4.36 0.01 . 1 . . . . . . . . 4863 1 802 . 1 1 82 82 SER HB2 H 1 3.70 0.01 . 2 . . . . . . . . 4863 1 803 . 1 1 82 82 SER HB3 H 1 3.65 0.01 . 2 . . . . . . . . 4863 1 804 . 1 1 82 82 SER CA C 13 55.1 0.1 . 1 . . . . . . . . 4863 1 805 . 1 1 82 82 SER CB C 13 60.2 0.1 . 1 . . . . . . . . 4863 1 806 . 1 1 82 82 SER N N 15 121.7 0.1 . 1 . . . . . . . . 4863 1 807 . 1 1 83 83 VAL H H 1 9.08 0.01 . 1 . . . . . . . . 4863 1 808 . 1 1 83 83 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 4863 1 809 . 1 1 83 83 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 4863 1 810 . 1 1 83 83 VAL HG11 H 1 1.06 0.01 . 1 . . . . . . . . 4863 1 811 . 1 1 83 83 VAL HG12 H 1 1.06 0.01 . 1 . . . . . . . . 4863 1 812 . 1 1 83 83 VAL HG13 H 1 1.06 0.01 . 1 . . . . . . . . 4863 1 813 . 1 1 83 83 VAL HG21 H 1 1.13 0.01 . 1 . . . . . . . . 4863 1 814 . 1 1 83 83 VAL HG22 H 1 1.13 0.01 . 1 . . . . . . . . 4863 1 815 . 1 1 83 83 VAL HG23 H 1 1.13 0.01 . 1 . . . . . . . . 4863 1 816 . 1 1 83 83 VAL CA C 13 59.3 0.1 . 1 . . . . . . . . 4863 1 817 . 1 1 83 83 VAL CB C 13 30.1 0.1 . 1 . . . . . . . . 4863 1 818 . 1 1 83 83 VAL CG1 C 13 20.6 0.1 . 1 . . . . . . . . 4863 1 819 . 1 1 83 83 VAL CG2 C 13 17.8 0.1 . 1 . . . . . . . . 4863 1 820 . 1 1 83 83 VAL N N 15 131.3 0.1 . 1 . . . . . . . . 4863 1 821 . 1 1 84 84 SER H H 1 7.93 0.01 . 1 . . . . . . . . 4863 1 822 . 1 1 84 84 SER HA H 1 4.90 0.01 . 1 . . . . . . . . 4863 1 823 . 1 1 84 84 SER HB2 H 1 3.74 0.01 . 2 . . . . . . . . 4863 1 824 . 1 1 84 84 SER HB3 H 1 3.59 0.01 . 2 . . . . . . . . 4863 1 825 . 1 1 84 84 SER CA C 13 53.7 0.1 . 1 . . . . . . . . 4863 1 826 . 1 1 84 84 SER CB C 13 62.0 0.1 . 1 . . . . . . . . 4863 1 827 . 1 1 84 84 SER N N 15 121.2 0.1 . 1 . . . . . . . . 4863 1 828 . 1 1 85 85 LEU H H 1 9.40 0.01 . 1 . . . . . . . . 4863 1 829 . 1 1 85 85 LEU HA H 1 5.48 0.01 . 1 . . . . . . . . 4863 1 830 . 1 1 85 85 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 4863 1 831 . 1 1 85 85 LEU HB3 H 1 1.05 0.01 . 2 . . . . . . . . 4863 1 832 . 1 1 85 85 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 4863 1 833 . 1 1 85 85 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 4863 1 834 . 1 1 85 85 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 4863 1 835 . 1 1 85 85 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 4863 1 836 . 1 1 85 85 LEU HD21 H 1 0.78 0.01 . 2 . . . . . . . . 4863 1 837 . 1 1 85 85 LEU HD22 H 1 0.78 0.01 . 2 . . . . . . . . 4863 1 838 . 1 1 85 85 LEU HD23 H 1 0.78 0.01 . 2 . . . . . . . . 4863 1 839 . 1 1 85 85 LEU CA C 13 50.7 0.1 . 1 . . . . . . . . 4863 1 840 . 1 1 85 85 LEU CB C 13 43.2 0.1 . 1 . . . . . . . . 4863 1 841 . 1 1 85 85 LEU CG C 13 24.1 0.1 . 1 . . . . . . . . 4863 1 842 . 1 1 85 85 LEU CD1 C 13 24.1 0.1 . 2 . . . . . . . . 4863 1 843 . 1 1 85 85 LEU CD2 C 13 20.4 0.1 . 2 . . . . . . . . 4863 1 844 . 1 1 85 85 LEU N N 15 124.4 0.1 . 1 . . . . . . . . 4863 1 845 . 1 1 86 86 TYR H H 1 9.09 0.01 . 1 . . . . . . . . 4863 1 846 . 1 1 86 86 TYR HA H 1 4.54 0.01 . 1 . . . . . . . . 4863 1 847 . 1 1 86 86 TYR HB2 H 1 3.27 0.01 . 2 . . . . . . . . 4863 1 848 . 1 1 86 86 TYR HB3 H 1 2.61 0.01 . 2 . . . . . . . . 4863 1 849 . 1 1 86 86 TYR HD1 H 1 7.05 0.01 . 1 . . . . . . . . 4863 1 850 . 1 1 86 86 TYR HD2 H 1 7.05 0.01 . 1 . . . . . . . . 4863 1 851 . 1 1 86 86 TYR HE1 H 1 6.62 0.01 . 1 . . . . . . . . 4863 1 852 . 1 1 86 86 TYR HE2 H 1 6.62 0.01 . 1 . . . . . . . . 4863 1 853 . 1 1 86 86 TYR CA C 13 53.7 0.1 . 1 . . . . . . . . 4863 1 854 . 1 1 86 86 TYR CB C 13 39.2 0.1 . 1 . . . . . . . . 4863 1 855 . 1 1 86 86 TYR N N 15 118.5 0.1 . 1 . . . . . . . . 4863 1 856 . 1 1 87 87 TYR H H 1 8.62 0.01 . 1 . . . . . . . . 4863 1 857 . 1 1 87 87 TYR HA H 1 4.83 0.01 . 1 . . . . . . . . 4863 1 858 . 1 1 87 87 TYR HB2 H 1 3.18 0.01 . 2 . . . . . . . . 4863 1 859 . 1 1 87 87 TYR HB3 H 1 2.55 0.01 . 2 . . . . . . . . 4863 1 860 . 1 1 87 87 TYR HD1 H 1 7.16 0.01 . 1 . . . . . . . . 4863 1 861 . 1 1 87 87 TYR HD2 H 1 7.16 0.01 . 1 . . . . . . . . 4863 1 862 . 1 1 87 87 TYR HE1 H 1 6.67 0.01 . 1 . . . . . . . . 4863 1 863 . 1 1 87 87 TYR HE2 H 1 6.67 0.01 . 1 . . . . . . . . 4863 1 864 . 1 1 87 87 TYR CA C 13 55.5 0.1 . 1 . . . . . . . . 4863 1 865 . 1 1 87 87 TYR CB C 13 36.1 0.1 . 1 . . . . . . . . 4863 1 866 . 1 1 87 87 TYR N N 15 119.8 0.1 . 1 . . . . . . . . 4863 1 867 . 1 1 88 88 THR H H 1 8.64 0.01 . 1 . . . . . . . . 4863 1 868 . 1 1 88 88 THR HA H 1 4.64 0.01 . 1 . . . . . . . . 4863 1 869 . 1 1 88 88 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 4863 1 870 . 1 1 88 88 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 4863 1 871 . 1 1 88 88 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 4863 1 872 . 1 1 88 88 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 4863 1 873 . 1 1 88 88 THR CA C 13 57.8 0.1 . 1 . . . . . . . . 4863 1 874 . 1 1 88 88 THR CB C 13 67.8 0.1 . 1 . . . . . . . . 4863 1 875 . 1 1 88 88 THR CG2 C 13 19.5 0.1 . 1 . . . . . . . . 4863 1 876 . 1 1 88 88 THR N N 15 110.5 0.1 . 1 . . . . . . . . 4863 1 877 . 1 1 89 89 GLY H H 1 8.15 0.01 . 1 . . . . . . . . 4863 1 878 . 1 1 89 89 GLY HA2 H 1 3.95 0.01 . 1 . . . . . . . . 4863 1 879 . 1 1 89 89 GLY HA3 H 1 3.78 0.01 . 1 . . . . . . . . 4863 1 880 . 1 1 89 89 GLY CA C 13 42.3 0.1 . 1 . . . . . . . . 4863 1 881 . 1 1 89 89 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 4863 1 882 . 1 1 90 90 GLU H H 1 8.75 0.01 . 1 . . . . . . . . 4863 1 883 . 1 1 90 90 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4863 1 884 . 1 1 90 90 GLU HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4863 1 885 . 1 1 90 90 GLU HB3 H 1 1.95 0.01 . 1 . . . . . . . . 4863 1 886 . 1 1 90 90 GLU HG2 H 1 2.22 0.01 . 1 . . . . . . . . 4863 1 887 . 1 1 90 90 GLU HG3 H 1 2.22 0.01 . 1 . . . . . . . . 4863 1 888 . 1 1 90 90 GLU CA C 13 55.1 0.1 . 1 . . . . . . . . 4863 1 889 . 1 1 90 90 GLU CB C 13 26.7 0.1 . 1 . . . . . . . . 4863 1 890 . 1 1 90 90 GLU CG C 13 33.2 0.1 . 1 . . . . . . . . 4863 1 891 . 1 1 90 90 GLU N N 15 122.4 0.1 . 1 . . . . . . . . 4863 1 892 . 1 1 91 91 LYS H H 1 8.46 0.01 . 1 . . . . . . . . 4863 1 893 . 1 1 91 91 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 4863 1 894 . 1 1 91 91 LYS HB2 H 1 1.58 0.01 . 1 . . . . . . . . 4863 1 895 . 1 1 91 91 LYS HB3 H 1 1.58 0.01 . 1 . . . . . . . . 4863 1 896 . 1 1 91 91 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 4863 1 897 . 1 1 91 91 LYS HG3 H 1 1.38 0.01 . 1 . . . . . . . . 4863 1 898 . 1 1 91 91 LYS CA C 13 55.0 0.1 . 1 . . . . . . . . 4863 1 899 . 1 1 91 91 LYS CB C 13 29.7 0.1 . 1 . . . . . . . . 4863 1 900 . 1 1 91 91 LYS CG C 13 22.3 0.1 . 1 . . . . . . . . 4863 1 901 . 1 1 91 91 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 4863 1 902 . 1 1 92 92 GLY H H 1 8.03 0.01 . 1 . . . . . . . . 4863 1 903 . 1 1 92 92 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 4863 1 904 . 1 1 92 92 GLY HA3 H 1 4.06 0.01 . 2 . . . . . . . . 4863 1 905 . 1 1 92 92 GLY CA C 13 42.5 0.1 . 1 . . . . . . . . 4863 1 906 . 1 1 92 92 GLY N N 15 106.8 0.1 . 1 . . . . . . . . 4863 1 907 . 1 1 93 93 GLY H H 1 8.04 0.01 . 1 . . . . . . . . 4863 1 908 . 1 1 93 93 GLY HA2 H 1 3.99 0.01 . 1 . . . . . . . . 4863 1 909 . 1 1 93 93 GLY HA3 H 1 3.99 0.01 . 1 . . . . . . . . 4863 1 910 . 1 1 93 93 GLY CA C 13 42.5 0.1 . 1 . . . . . . . . 4863 1 911 . 1 1 93 93 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 4863 1 912 . 1 1 94 94 THR H H 1 8.13 0.01 . 1 . . . . . . . . 4863 1 913 . 1 1 94 94 THR HA H 1 4.34 0.01 . 1 . . . . . . . . 4863 1 914 . 1 1 94 94 THR HB H 1 4.18 0.01 . 1 . . . . . . . . 4863 1 915 . 1 1 94 94 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 4863 1 916 . 1 1 94 94 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 4863 1 917 . 1 1 94 94 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 4863 1 918 . 1 1 94 94 THR CA C 13 59.1 0.1 . 1 . . . . . . . . 4863 1 919 . 1 1 94 94 THR CB C 13 66.6 0.1 . 1 . . . . . . . . 4863 1 920 . 1 1 94 94 THR CG2 C 13 18.4 0.1 . 1 . . . . . . . . 4863 1 921 . 1 1 94 94 THR N N 15 113.3 0.1 . 1 . . . . . . . . 4863 1 922 . 1 1 95 95 ARG H H 1 8.44 0.01 . 1 . . . . . . . . 4863 1 923 . 1 1 95 95 ARG HA H 1 4.30 0.01 . 1 . . . . . . . . 4863 1 924 . 1 1 95 95 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4863 1 925 . 1 1 95 95 ARG HB3 H 1 1.76 0.01 . 2 . . . . . . . . 4863 1 926 . 1 1 95 95 ARG HG2 H 1 1.59 0.01 . 1 . . . . . . . . 4863 1 927 . 1 1 95 95 ARG HG3 H 1 1.59 0.01 . 1 . . . . . . . . 4863 1 928 . 1 1 95 95 ARG CA C 13 53.3 0.1 . 1 . . . . . . . . 4863 1 929 . 1 1 95 95 ARG CB C 13 27.3 0.1 . 1 . . . . . . . . 4863 1 930 . 1 1 95 95 ARG CG C 13 24.0 0.1 . 1 . . . . . . . . 4863 1 931 . 1 1 95 95 ARG N N 15 122.7 0.1 . 1 . . . . . . . . 4863 1 932 . 1 1 96 96 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 4863 1 933 . 1 1 96 96 GLY HA2 H 1 3.91 0.01 . 1 . . . . . . . . 4863 1 934 . 1 1 96 96 GLY HA3 H 1 3.91 0.01 . 1 . . . . . . . . 4863 1 935 . 1 1 96 96 GLY CA C 13 42.4 0.1 . 1 . . . . . . . . 4863 1 936 . 1 1 96 96 GLY N N 15 109.8 0.1 . 1 . . . . . . . . 4863 1 stop_ save_