data_6464 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6464 _Entry.Title ; Structure of the hypothetical Arabidopsis thaliana protein At1g16640.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-01-19 _Entry.Accession_date 2005-01-19 _Entry.Last_release_date . _Entry.Original_release_date . _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. Peterson . C. . 6464 2 J. Waltner . L. . 6464 3 B. Lytle . L. . 6464 4 B. Volkman . F. . 6464 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6464 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 614 6464 '13C chemical shifts' 370 6464 '15N chemical shifts' 99 6464 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 2 . . 2009-07-02 2005-01-19 update BMRB 'added time domain data' 6464 1 . . 2005-10-07 2005-01-19 original author 'original release' 6464 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6464 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16081658 _Citation.Full_citation . _Citation.Title 'Structure of the B3 domain from Arabidopsis thaliana protein At1g16640.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue . _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 2478 _Citation.Page_last 2483 _Citation.Year 2005 _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 J. Waltner . K. . 6464 1 2 F. Peterson . C. . 6464 1 3 B. Lytle . L. . 6464 1 4 B. Volkman . F. . 6464 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CESG 6464 1 'Protein Structure Initiative' 6464 1 'structural genomics' 6464 1 PSI 6464 1 'Center for Eukaryotic Structural Genomics' 6464 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_At1g16640 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_At1g16640 _Assembly.Entry_ID 6464 _Assembly.ID 1 _Assembly.Name At1g16640 _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 6464 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 At1g16640 1 $At1g16640 . . . native . . . . . 6464 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 1YEL . . . . . . 6464 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID At1g16640 system 6464 1 At1g16640 abbreviation 6464 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_At1g16640 _Entity.Sf_category entity _Entity.Sf_framecode At1g16640 _Entity.Entry_ID 6464 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name At1g16640 _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 ; GSMADTGEVQFMKPFISEKS SKSLEIPLGFNEYFPAPFPI TVDLLDYSGRSWTVRMKKRG EKVFLTVGWENFVKDNNLED GKYLQFIYDRDRTFYVIIYG HNMC ; _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 104 _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 2015-01-28 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 1YEL . "Structure Of The Hypothetical Arabidopsis Thaliana Protein At1g16640.1" . . . . . 100.00 104 100.00 100.00 1.27e-70 . . . . 6464 1 2 no DBJ BAH30298 . "hypothetical protein [Arabidopsis thaliana]" . . . . . 98.08 134 100.00 100.00 5.20e-69 . . . . 6464 1 3 no GB AAG10819 . "Unknown protein [Arabidopsis thaliana]" . . . . . 98.08 134 100.00 100.00 5.20e-69 . . . . 6464 1 4 no GB AAS99655 . "At1g16640 [Arabidopsis thaliana]" . . . . . 98.08 134 100.00 100.00 5.20e-69 . . . . 6464 1 5 no GB AAT41794 . "At1g16640 [Arabidopsis thaliana]" . . . . . 98.08 134 100.00 100.00 5.20e-69 . . . . 6464 1 6 no GB AEE29479 . "AP2/B3-like transcriptional factor family protein [Arabidopsis thaliana]" . . . . . 98.08 134 100.00 100.00 5.20e-69 . . . . 6464 1 7 no REF NP_173109 . "AP2/B3-like transcriptional factor family protein [Arabidopsis thaliana]" . . . . . 98.08 134 100.00 100.00 5.20e-69 . . . . 6464 1 8 no SP Q9FX77 . "RecName: Full=B3 domain-containing protein At1g16640 [Arabidopsis thaliana]" . . . . . 98.08 134 100.00 100.00 5.20e-69 . . . . 6464 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID At1g16640 common 6464 1 At1g16640 abbreviation 6464 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 -2 GLY . 6464 1 2 -1 SER . 6464 1 3 1 MET . 6464 1 4 2 ALA . 6464 1 5 3 ASP . 6464 1 6 4 THR . 6464 1 7 5 GLY . 6464 1 8 6 GLU . 6464 1 9 7 VAL . 6464 1 10 8 GLN . 6464 1 11 9 PHE . 6464 1 12 10 MET . 6464 1 13 11 LYS . 6464 1 14 12 PRO . 6464 1 15 13 PHE . 6464 1 16 14 ILE . 6464 1 17 15 SER . 6464 1 18 16 GLU . 6464 1 19 17 LYS . 6464 1 20 18 SER . 6464 1 21 19 SER . 6464 1 22 20 LYS . 6464 1 23 21 SER . 6464 1 24 22 LEU . 6464 1 25 23 GLU . 6464 1 26 24 ILE . 6464 1 27 25 PRO . 6464 1 28 26 LEU . 6464 1 29 27 GLY . 6464 1 30 28 PHE . 6464 1 31 29 ASN . 6464 1 32 30 GLU . 6464 1 33 31 TYR . 6464 1 34 32 PHE . 6464 1 35 33 PRO . 6464 1 36 34 ALA . 6464 1 37 35 PRO . 6464 1 38 36 PHE . 6464 1 39 37 PRO . 6464 1 40 38 ILE . 6464 1 41 39 THR . 6464 1 42 40 VAL . 6464 1 43 41 ASP . 6464 1 44 42 LEU . 6464 1 45 43 LEU . 6464 1 46 44 ASP . 6464 1 47 45 TYR . 6464 1 48 46 SER . 6464 1 49 47 GLY . 6464 1 50 48 ARG . 6464 1 51 49 SER . 6464 1 52 50 TRP . 6464 1 53 51 THR . 6464 1 54 52 VAL . 6464 1 55 53 ARG . 6464 1 56 54 MET . 6464 1 57 55 LYS . 6464 1 58 56 LYS . 6464 1 59 57 ARG . 6464 1 60 58 GLY . 6464 1 61 59 GLU . 6464 1 62 60 LYS . 6464 1 63 61 VAL . 6464 1 64 62 PHE . 6464 1 65 63 LEU . 6464 1 66 64 THR . 6464 1 67 65 VAL . 6464 1 68 66 GLY . 6464 1 69 67 TRP . 6464 1 70 68 GLU . 6464 1 71 69 ASN . 6464 1 72 70 PHE . 6464 1 73 71 VAL . 6464 1 74 72 LYS . 6464 1 75 73 ASP . 6464 1 76 74 ASN . 6464 1 77 75 ASN . 6464 1 78 76 LEU . 6464 1 79 77 GLU . 6464 1 80 78 ASP . 6464 1 81 79 GLY . 6464 1 82 80 LYS . 6464 1 83 81 TYR . 6464 1 84 82 LEU . 6464 1 85 83 GLN . 6464 1 86 84 PHE . 6464 1 87 85 ILE . 6464 1 88 86 TYR . 6464 1 89 87 ASP . 6464 1 90 88 ARG . 6464 1 91 89 ASP . 6464 1 92 90 ARG . 6464 1 93 91 THR . 6464 1 94 92 PHE . 6464 1 95 93 TYR . 6464 1 96 94 VAL . 6464 1 97 95 ILE . 6464 1 98 96 ILE . 6464 1 99 97 TYR . 6464 1 100 98 GLY . 6464 1 101 99 HIS . 6464 1 102 100 ASN . 6464 1 103 101 MET . 6464 1 104 102 CYS . 6464 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 6464 1 . SER 2 2 6464 1 . MET 3 3 6464 1 . ALA 4 4 6464 1 . ASP 5 5 6464 1 . THR 6 6 6464 1 . GLY 7 7 6464 1 . GLU 8 8 6464 1 . VAL 9 9 6464 1 . GLN 10 10 6464 1 . PHE 11 11 6464 1 . MET 12 12 6464 1 . LYS 13 13 6464 1 . PRO 14 14 6464 1 . PHE 15 15 6464 1 . ILE 16 16 6464 1 . SER 17 17 6464 1 . GLU 18 18 6464 1 . LYS 19 19 6464 1 . SER 20 20 6464 1 . SER 21 21 6464 1 . LYS 22 22 6464 1 . SER 23 23 6464 1 . LEU 24 24 6464 1 . GLU 25 25 6464 1 . ILE 26 26 6464 1 . PRO 27 27 6464 1 . LEU 28 28 6464 1 . GLY 29 29 6464 1 . PHE 30 30 6464 1 . ASN 31 31 6464 1 . GLU 32 32 6464 1 . TYR 33 33 6464 1 . PHE 34 34 6464 1 . PRO 35 35 6464 1 . ALA 36 36 6464 1 . PRO 37 37 6464 1 . PHE 38 38 6464 1 . PRO 39 39 6464 1 . ILE 40 40 6464 1 . THR 41 41 6464 1 . VAL 42 42 6464 1 . ASP 43 43 6464 1 . LEU 44 44 6464 1 . LEU 45 45 6464 1 . ASP 46 46 6464 1 . TYR 47 47 6464 1 . SER 48 48 6464 1 . GLY 49 49 6464 1 . ARG 50 50 6464 1 . SER 51 51 6464 1 . TRP 52 52 6464 1 . THR 53 53 6464 1 . VAL 54 54 6464 1 . ARG 55 55 6464 1 . MET 56 56 6464 1 . LYS 57 57 6464 1 . LYS 58 58 6464 1 . ARG 59 59 6464 1 . GLY 60 60 6464 1 . GLU 61 61 6464 1 . LYS 62 62 6464 1 . VAL 63 63 6464 1 . PHE 64 64 6464 1 . LEU 65 65 6464 1 . THR 66 66 6464 1 . VAL 67 67 6464 1 . GLY 68 68 6464 1 . TRP 69 69 6464 1 . GLU 70 70 6464 1 . ASN 71 71 6464 1 . PHE 72 72 6464 1 . VAL 73 73 6464 1 . LYS 74 74 6464 1 . ASP 75 75 6464 1 . ASN 76 76 6464 1 . ASN 77 77 6464 1 . LEU 78 78 6464 1 . GLU 79 79 6464 1 . ASP 80 80 6464 1 . GLY 81 81 6464 1 . LYS 82 82 6464 1 . TYR 83 83 6464 1 . LEU 84 84 6464 1 . GLN 85 85 6464 1 . PHE 86 86 6464 1 . ILE 87 87 6464 1 . TYR 88 88 6464 1 . ASP 89 89 6464 1 . ARG 90 90 6464 1 . ASP 91 91 6464 1 . ARG 92 92 6464 1 . THR 93 93 6464 1 . PHE 94 94 6464 1 . TYR 95 95 6464 1 . VAL 96 96 6464 1 . ILE 97 97 6464 1 . ILE 98 98 6464 1 . TYR 99 99 6464 1 . GLY 100 100 6464 1 . HIS 101 101 6464 1 . ASN 102 102 6464 1 . MET 103 103 6464 1 . CYS 104 104 6464 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 6464 _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 $At1g16640 . 3702 . . 'Arabidopsis thaliana' 'Arabidopsis thaliana' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6464 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 6464 _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 $At1g16640 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6464 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6464 _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 At1g16640 '[U-15N; U-13C]' . . 1 $At1g16640 . . 0.8 . . mM . . . . 6464 1 2 PO4 . . . . . . . 20 . . mM . . . . 6464 1 3 NaCl . . . . . . . 50 . . mM . . . . 6464 1 4 H2O . . . . . . . 90 . . % . . . . 6464 1 5 D2O . . . . . . . 10 . . % . . . . 6464 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 6464 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 6464 1 temperature 298 . K 6464 1 'ionic strength' 70 . mM 6464 1 pressure 1 . atm 6464 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6464 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6464 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6464 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2004 _Software.Details 'Frank Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6464 2 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 6464 _Software.ID 3 _Software.Name SPSCAN _Software.Version . _Software.Details 'Ralf Glaser' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6464 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6464 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6464 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 6464 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6464 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6464 _Software.ID 6 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details 'Peter Guntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6464 6 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6464 _Software.ID 7 _Software.Name X-PLOR _Software.Version NIH _Software.Details 'G. Marius Clore' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6464 7 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 6464 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 6464 _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 AVANCE . 600 . . . 6464 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 6464 _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 (aliphatic)' yes 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6464 1 2 '3D 15N-separated NOESY' yes 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6464 1 3 '3D 13C-separated NOESY (aromatic)' yes 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6464 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 6464 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY (aliphatic)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/6/' . . . . . . . 6464 1 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/6/' . . . . . . . 6464 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/6/' . . . . . . . 6464 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/6/' . . . . . . . 6464 1 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/6/pdata/1/' . . . . . . . 6464 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 6464 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/3/' . . . . . . . 6464 2 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/3/' . . . . . . . 6464 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/3/' . . . . . . . 6464 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/3/' . . . . . . . 6464 2 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/3/pdata/1/' . . . . . . . 6464 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 6464 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-separated NOESY (aromatic)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/9/' . . . . . . . 6464 3 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/9/' . . . . . . . 6464 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/9/' . . . . . . . 6464 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/9/' . . . . . . . 6464 3 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6464/timedomain_data/bmr6464-timedomain_data/081904.b3102/9/pdata/1/' . . . . . . . 6464 3 stop_ 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 6464 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm . external direct 1.000000000 . . . . . . . . . 6464 1 C 13 DSS 'methyl protons' . . . . ppm . external indirect 0.251449530 . . . . . . . . . 6464 1 N 15 DSS 'methyl protons' . . . . ppm . external indirect 0.101329118 . . . . . . . . . 6464 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 6464 _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 . 6464 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 3 3 MET CA C 13 56.0 0.1 . 1 . . . . . . . . 6464 1 2 . 1 1 3 3 MET HA H 1 4.50 0.02 . 1 . . . . . . . . 6464 1 3 . 1 1 3 3 MET CB C 13 32.8 0.1 . 1 . . . . . . . . 6464 1 4 . 1 1 3 3 MET HB2 H 1 2.11 0.02 . 2 . . . . . . . . 6464 1 5 . 1 1 3 3 MET HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6464 1 6 . 1 1 3 3 MET CG C 13 32.5 0.1 . 1 . . . . . . . . 6464 1 7 . 1 1 3 3 MET HG2 H 1 2.61 0.02 . 2 . . . . . . . . 6464 1 8 . 1 1 3 3 MET HG3 H 1 2.56 0.02 . 2 . . . . . . . . 6464 1 9 . 1 1 3 3 MET C C 13 176.2 0.1 . 1 . . . . . . . . 6464 1 10 . 1 1 4 4 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 6464 1 11 . 1 1 4 4 ALA H H 1 8.30 0.02 . 1 . . . . . . . . 6464 1 12 . 1 1 4 4 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . 6464 1 13 . 1 1 4 4 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 6464 1 14 . 1 1 4 4 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6464 1 15 . 1 1 4 4 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6464 1 16 . 1 1 4 4 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6464 1 17 . 1 1 4 4 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 6464 1 18 . 1 1 4 4 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 6464 1 19 . 1 1 5 5 ASP N N 15 119.7 0.1 . 1 . . . . . . . . 6464 1 20 . 1 1 5 5 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 6464 1 21 . 1 1 5 5 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 6464 1 22 . 1 1 5 5 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 6464 1 23 . 1 1 5 5 ASP CB C 13 41.7 0.1 . 1 . . . . . . . . 6464 1 24 . 1 1 5 5 ASP HB2 H 1 2.70 0.02 . 1 . . . . . . . . 6464 1 25 . 1 1 5 5 ASP HB3 H 1 2.70 0.02 . 1 . . . . . . . . 6464 1 26 . 1 1 5 5 ASP C C 13 176.4 0.1 . 1 . . . . . . . . 6464 1 27 . 1 1 6 6 THR N N 15 112.3 0.1 . 1 . . . . . . . . 6464 1 28 . 1 1 6 6 THR H H 1 7.99 0.02 . 1 . . . . . . . . 6464 1 29 . 1 1 6 6 THR CA C 13 61.6 0.1 . 1 . . . . . . . . 6464 1 30 . 1 1 6 6 THR HA H 1 4.34 0.02 . 1 . . . . . . . . 6464 1 31 . 1 1 6 6 THR CB C 13 70.0 0.1 . 1 . . . . . . . . 6464 1 32 . 1 1 6 6 THR HB H 1 4.34 0.02 . 1 . . . . . . . . 6464 1 33 . 1 1 6 6 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6464 1 34 . 1 1 6 6 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6464 1 35 . 1 1 6 6 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6464 1 36 . 1 1 6 6 THR CG2 C 13 21.8 0.1 . 1 . . . . . . . . 6464 1 37 . 1 1 6 6 THR C C 13 175.3 0.1 . 1 . . . . . . . . 6464 1 38 . 1 1 7 7 GLY N N 15 110.9 0.1 . 1 . . . . . . . . 6464 1 39 . 1 1 7 7 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 6464 1 40 . 1 1 7 7 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 6464 1 41 . 1 1 7 7 GLY HA2 H 1 4.01 0.02 . 2 . . . . . . . . 6464 1 42 . 1 1 7 7 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 6464 1 43 . 1 1 7 7 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 6464 1 44 . 1 1 8 8 GLU N N 15 120.1 0.1 . 1 . . . . . . . . 6464 1 45 . 1 1 8 8 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 6464 1 46 . 1 1 8 8 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 6464 1 47 . 1 1 8 8 GLU HA H 1 4.45 0.02 . 1 . . . . . . . . 6464 1 48 . 1 1 8 8 GLU CB C 13 30.9 0.1 . 1 . . . . . . . . 6464 1 49 . 1 1 8 8 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 6464 1 50 . 1 1 8 8 GLU HB3 H 1 1.93 0.02 . 1 . . . . . . . . 6464 1 51 . 1 1 8 8 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 6464 1 52 . 1 1 8 8 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 6464 1 53 . 1 1 8 8 GLU HG3 H 1 2.21 0.02 . 1 . . . . . . . . 6464 1 54 . 1 1 8 8 GLU C C 13 176.7 0.1 . 1 . . . . . . . . 6464 1 55 . 1 1 9 9 VAL N N 15 118.3 0.1 . 1 . . . . . . . . 6464 1 56 . 1 1 9 9 VAL H H 1 8.30 0.02 . 1 . . . . . . . . 6464 1 57 . 1 1 9 9 VAL CA C 13 60.6 0.1 . 1 . . . . . . . . 6464 1 58 . 1 1 9 9 VAL HA H 1 4.50 0.02 . 1 . . . . . . . . 6464 1 59 . 1 1 9 9 VAL CB C 13 34.2 0.1 . 1 . . . . . . . . 6464 1 60 . 1 1 9 9 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 6464 1 61 . 1 1 9 9 VAL HG11 H 1 0.31 0.02 . 2 . . . . . . . . 6464 1 62 . 1 1 9 9 VAL HG12 H 1 0.31 0.02 . 2 . . . . . . . . 6464 1 63 . 1 1 9 9 VAL HG13 H 1 0.31 0.02 . 2 . . . . . . . . 6464 1 64 . 1 1 9 9 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 6464 1 65 . 1 1 9 9 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 6464 1 66 . 1 1 9 9 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 6464 1 67 . 1 1 9 9 VAL CG1 C 13 22.1 0.1 . 1 . . . . . . . . 6464 1 68 . 1 1 9 9 VAL CG2 C 13 19.6 0.1 . 1 . . . . . . . . 6464 1 69 . 1 1 9 9 VAL C C 13 174.4 0.1 . 1 . . . . . . . . 6464 1 70 . 1 1 10 10 GLN N N 15 119.2 0.1 . 1 . . . . . . . . 6464 1 71 . 1 1 10 10 GLN H H 1 8.64 0.02 . 1 . . . . . . . . 6464 1 72 . 1 1 10 10 GLN CA C 13 54.0 0.1 . 1 . . . . . . . . 6464 1 73 . 1 1 10 10 GLN HA H 1 6.23 0.02 . 1 . . . . . . . . 6464 1 74 . 1 1 10 10 GLN CB C 13 32.9 0.1 . 1 . . . . . . . . 6464 1 75 . 1 1 10 10 GLN HB2 H 1 2.40 0.02 . 2 . . . . . . . . 6464 1 76 . 1 1 10 10 GLN HB3 H 1 2.26 0.02 . 2 . . . . . . . . 6464 1 77 . 1 1 10 10 GLN CG C 13 34.4 0.1 . 1 . . . . . . . . 6464 1 78 . 1 1 10 10 GLN HG2 H 1 2.15 0.02 . 1 . . . . . . . . 6464 1 79 . 1 1 10 10 GLN HG3 H 1 2.15 0.02 . 1 . . . . . . . . 6464 1 80 . 1 1 10 10 GLN NE2 N 15 110.9 0.1 . 1 . . . . . . . . 6464 1 81 . 1 1 10 10 GLN HE21 H 1 7.46 0.02 . 2 . . . . . . . . 6464 1 82 . 1 1 10 10 GLN HE22 H 1 6.66 0.02 . 2 . . . . . . . . 6464 1 83 . 1 1 10 10 GLN C C 13 175.4 0.1 . 1 . . . . . . . . 6464 1 84 . 1 1 11 11 PHE N N 15 115.0 0.1 . 1 . . . . . . . . 6464 1 85 . 1 1 11 11 PHE H H 1 8.55 0.02 . 1 . . . . . . . . 6464 1 86 . 1 1 11 11 PHE CA C 13 57.4 0.1 . 1 . . . . . . . . 6464 1 87 . 1 1 11 11 PHE HA H 1 5.03 0.02 . 1 . . . . . . . . 6464 1 88 . 1 1 11 11 PHE CB C 13 41.5 0.1 . 1 . . . . . . . . 6464 1 89 . 1 1 11 11 PHE HB2 H 1 3.10 0.02 . 2 . . . . . . . . 6464 1 90 . 1 1 11 11 PHE HB3 H 1 2.95 0.02 . 2 . . . . . . . . 6464 1 91 . 1 1 11 11 PHE C C 13 171.9 0.1 . 1 . . . . . . . . 6464 1 92 . 1 1 12 12 MET N N 15 120.2 0.1 . 1 . . . . . . . . 6464 1 93 . 1 1 12 12 MET H H 1 8.74 0.02 . 1 . . . . . . . . 6464 1 94 . 1 1 12 12 MET CA C 13 53.8 0.1 . 1 . . . . . . . . 6464 1 95 . 1 1 12 12 MET HA H 1 5.84 0.02 . 1 . . . . . . . . 6464 1 96 . 1 1 12 12 MET CB C 13 36.0 0.1 . 1 . . . . . . . . 6464 1 97 . 1 1 12 12 MET HB2 H 1 2.13 0.02 . 1 . . . . . . . . 6464 1 98 . 1 1 12 12 MET HB3 H 1 2.13 0.02 . 1 . . . . . . . . 6464 1 99 . 1 1 12 12 MET CG C 13 32.5 0.1 . 1 . . . . . . . . 6464 1 100 . 1 1 12 12 MET HG2 H 1 2.65 0.02 . 2 . . . . . . . . 6464 1 101 . 1 1 12 12 MET HG3 H 1 2.60 0.02 . 2 . . . . . . . . 6464 1 102 . 1 1 12 12 MET HE1 H 1 1.84 0.02 . 1 . . . . . . . . 6464 1 103 . 1 1 12 12 MET HE2 H 1 1.84 0.02 . 1 . . . . . . . . 6464 1 104 . 1 1 12 12 MET HE3 H 1 1.84 0.02 . 1 . . . . . . . . 6464 1 105 . 1 1 12 12 MET CE C 13 17.3 0.1 . 1 . . . . . . . . 6464 1 106 . 1 1 12 12 MET C C 13 176.3 0.1 . 1 . . . . . . . . 6464 1 107 . 1 1 13 13 LYS N N 15 124.4 0.1 . 1 . . . . . . . . 6464 1 108 . 1 1 13 13 LYS H H 1 9.48 0.02 . 1 . . . . . . . . 6464 1 109 . 1 1 13 13 LYS CA C 13 53.8 0.1 . 1 . . . . . . . . 6464 1 110 . 1 1 13 13 LYS HA H 1 5.15 0.02 . 1 . . . . . . . . 6464 1 111 . 1 1 13 13 LYS CB C 13 37.3 0.1 . 1 . . . . . . . . 6464 1 112 . 1 1 13 13 LYS HB2 H 1 2.08 0.02 . 2 . . . . . . . . 6464 1 113 . 1 1 13 13 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . 6464 1 114 . 1 1 13 13 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 6464 1 115 . 1 1 13 13 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 6464 1 116 . 1 1 13 13 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 6464 1 117 . 1 1 13 13 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 6464 1 118 . 1 1 13 13 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 6464 1 119 . 1 1 14 14 PRO CD C 13 51.3 0.1 . 1 . . . . . . . . 6464 1 120 . 1 1 14 14 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 6464 1 121 . 1 1 14 14 PRO HA H 1 4.29 0.02 . 1 . . . . . . . . 6464 1 122 . 1 1 14 14 PRO CB C 13 32.3 0.1 . 1 . . . . . . . . 6464 1 123 . 1 1 14 14 PRO HB2 H 1 1.66 0.02 . 1 . . . . . . . . 6464 1 124 . 1 1 14 14 PRO HB3 H 1 1.66 0.02 . 1 . . . . . . . . 6464 1 125 . 1 1 14 14 PRO CG C 13 27.3 0.1 . 1 . . . . . . . . 6464 1 126 . 1 1 14 14 PRO HG2 H 1 2.05 0.02 . 1 . . . . . . . . 6464 1 127 . 1 1 14 14 PRO HG3 H 1 2.05 0.02 . 1 . . . . . . . . 6464 1 128 . 1 1 14 14 PRO HD2 H 1 3.89 0.02 . 1 . . . . . . . . 6464 1 129 . 1 1 14 14 PRO HD3 H 1 3.89 0.02 . 1 . . . . . . . . 6464 1 130 . 1 1 14 14 PRO C C 13 176.0 0.1 . 1 . . . . . . . . 6464 1 131 . 1 1 15 15 PHE N N 15 122.3 0.1 . 1 . . . . . . . . 6464 1 132 . 1 1 15 15 PHE H H 1 8.73 0.02 . 1 . . . . . . . . 6464 1 133 . 1 1 15 15 PHE CA C 13 59.3 0.1 . 1 . . . . . . . . 6464 1 134 . 1 1 15 15 PHE HA H 1 4.25 0.02 . 1 . . . . . . . . 6464 1 135 . 1 1 15 15 PHE CB C 13 39.8 0.1 . 1 . . . . . . . . 6464 1 136 . 1 1 15 15 PHE HB2 H 1 3.15 0.02 . 2 . . . . . . . . 6464 1 137 . 1 1 15 15 PHE HB3 H 1 2.57 0.02 . 2 . . . . . . . . 6464 1 138 . 1 1 15 15 PHE C C 13 172.9 0.1 . 1 . . . . . . . . 6464 1 139 . 1 1 16 16 ILE N N 15 130.2 0.1 . 1 . . . . . . . . 6464 1 140 . 1 1 16 16 ILE H H 1 7.26 0.02 . 1 . . . . . . . . 6464 1 141 . 1 1 16 16 ILE CA C 13 58.9 0.1 . 1 . . . . . . . . 6464 1 142 . 1 1 16 16 ILE HA H 1 4.36 0.02 . 1 . . . . . . . . 6464 1 143 . 1 1 16 16 ILE CB C 13 39.0 0.1 . 1 . . . . . . . . 6464 1 144 . 1 1 16 16 ILE HB H 1 1.75 0.02 . 1 . . . . . . . . 6464 1 145 . 1 1 16 16 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 6464 1 146 . 1 1 16 16 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 6464 1 147 . 1 1 16 16 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 6464 1 148 . 1 1 16 16 ILE CG2 C 13 18.3 0.1 . 1 . . . . . . . . 6464 1 149 . 1 1 16 16 ILE CG1 C 13 27.0 0.1 . 1 . . . . . . . . 6464 1 150 . 1 1 16 16 ILE HG12 H 1 1.33 0.02 . 2 . . . . . . . . 6464 1 151 . 1 1 16 16 ILE HG13 H 1 1.11 0.02 . 2 . . . . . . . . 6464 1 152 . 1 1 16 16 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 6464 1 153 . 1 1 16 16 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 6464 1 154 . 1 1 16 16 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 6464 1 155 . 1 1 16 16 ILE CD1 C 13 12.1 0.1 . 1 . . . . . . . . 6464 1 156 . 1 1 16 16 ILE C C 13 177.1 0.1 . 1 . . . . . . . . 6464 1 157 . 1 1 17 17 SER N N 15 128.9 0.1 . 1 . . . . . . . . 6464 1 158 . 1 1 17 17 SER H H 1 10.10 0.02 . 1 . . . . . . . . 6464 1 159 . 1 1 17 17 SER CA C 13 59.3 0.1 . 1 . . . . . . . . 6464 1 160 . 1 1 17 17 SER HA H 1 3.86 0.02 . 1 . . . . . . . . 6464 1 161 . 1 1 17 17 SER CB C 13 62.9 0.1 . 1 . . . . . . . . 6464 1 162 . 1 1 17 17 SER HB2 H 1 4.00 0.02 . 2 . . . . . . . . 6464 1 163 . 1 1 17 17 SER HB3 H 1 3.61 0.02 . 2 . . . . . . . . 6464 1 164 . 1 1 17 17 SER C C 13 177.3 0.1 . 1 . . . . . . . . 6464 1 165 . 1 1 18 18 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 6464 1 166 . 1 1 18 18 GLU H H 1 8.91 0.02 . 1 . . . . . . . . 6464 1 167 . 1 1 18 18 GLU CA C 13 59.1 0.1 . 1 . . . . . . . . 6464 1 168 . 1 1 18 18 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 6464 1 169 . 1 1 18 18 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 6464 1 170 . 1 1 18 18 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 6464 1 171 . 1 1 18 18 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 6464 1 172 . 1 1 18 18 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 6464 1 173 . 1 1 18 18 GLU HG2 H 1 2.29 0.02 . 1 . . . . . . . . 6464 1 174 . 1 1 18 18 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 6464 1 175 . 1 1 18 18 GLU C C 13 177.3 0.1 . 1 . . . . . . . . 6464 1 176 . 1 1 19 19 LYS N N 15 114.3 0.1 . 1 . . . . . . . . 6464 1 177 . 1 1 19 19 LYS H H 1 7.06 0.02 . 1 . . . . . . . . 6464 1 178 . 1 1 19 19 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 6464 1 179 . 1 1 19 19 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . 6464 1 180 . 1 1 19 19 LYS CB C 13 34.9 0.1 . 1 . . . . . . . . 6464 1 181 . 1 1 19 19 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6464 1 182 . 1 1 19 19 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 6464 1 183 . 1 1 19 19 LYS CG C 13 25.0 0.1 . 1 . . . . . . . . 6464 1 184 . 1 1 19 19 LYS HG2 H 1 1.37 0.02 . 2 . . . . . . . . 6464 1 185 . 1 1 19 19 LYS HG3 H 1 1.49 0.02 . 2 . . . . . . . . 6464 1 186 . 1 1 19 19 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 6464 1 187 . 1 1 19 19 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 6464 1 188 . 1 1 19 19 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6464 1 189 . 1 1 19 19 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6464 1 190 . 1 1 19 19 LYS C C 13 180.2 0.1 . 1 . . . . . . . . 6464 1 191 . 1 1 20 20 SER N N 15 113.5 0.1 . 1 . . . . . . . . 6464 1 192 . 1 1 20 20 SER H H 1 8.00 0.02 . 1 . . . . . . . . 6464 1 193 . 1 1 20 20 SER CA C 13 57.9 0.1 . 1 . . . . . . . . 6464 1 194 . 1 1 20 20 SER HA H 1 5.99 0.02 . 1 . . . . . . . . 6464 1 195 . 1 1 20 20 SER CB C 13 64.6 0.1 . 1 . . . . . . . . 6464 1 196 . 1 1 20 20 SER HB2 H 1 4.52 0.02 . 2 . . . . . . . . 6464 1 197 . 1 1 20 20 SER HB3 H 1 3.19 0.02 . 2 . . . . . . . . 6464 1 198 . 1 1 20 20 SER C C 13 174.3 0.1 . 1 . . . . . . . . 6464 1 199 . 1 1 21 21 SER N N 15 116.4 0.1 . 1 . . . . . . . . 6464 1 200 . 1 1 21 21 SER H H 1 8.21 0.02 . 1 . . . . . . . . 6464 1 201 . 1 1 21 21 SER CA C 13 63.2 0.1 . 1 . . . . . . . . 6464 1 202 . 1 1 21 21 SER HA H 1 4.17 0.02 . 1 . . . . . . . . 6464 1 203 . 1 1 21 21 SER CB C 13 61.8 0.1 . 1 . . . . . . . . 6464 1 204 . 1 1 21 21 SER HB2 H 1 4.14 0.02 . 1 . . . . . . . . 6464 1 205 . 1 1 21 21 SER HB3 H 1 4.14 0.02 . 1 . . . . . . . . 6464 1 206 . 1 1 21 21 SER C C 13 174.4 0.1 . 1 . . . . . . . . 6464 1 207 . 1 1 22 22 LYS N N 15 116.8 0.1 . 1 . . . . . . . . 6464 1 208 . 1 1 22 22 LYS H H 1 8.35 0.02 . 1 . . . . . . . . 6464 1 209 . 1 1 22 22 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 6464 1 210 . 1 1 22 22 LYS HA H 1 4.73 0.02 . 1 . . . . . . . . 6464 1 211 . 1 1 22 22 LYS CB C 13 35.1 0.1 . 1 . . . . . . . . 6464 1 212 . 1 1 22 22 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6464 1 213 . 1 1 22 22 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 6464 1 214 . 1 1 22 22 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 6464 1 215 . 1 1 22 22 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 6464 1 216 . 1 1 22 22 LYS C C 13 176.1 0.1 . 1 . . . . . . . . 6464 1 217 . 1 1 23 23 SER N N 15 114.6 0.1 . 1 . . . . . . . . 6464 1 218 . 1 1 23 23 SER H H 1 8.18 0.02 . 1 . . . . . . . . 6464 1 219 . 1 1 23 23 SER CA C 13 57.0 0.1 . 1 . . . . . . . . 6464 1 220 . 1 1 23 23 SER HA H 1 4.96 0.02 . 1 . . . . . . . . 6464 1 221 . 1 1 23 23 SER CB C 13 66.3 0.1 . 1 . . . . . . . . 6464 1 222 . 1 1 23 23 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 6464 1 223 . 1 1 23 23 SER HB3 H 1 3.82 0.02 . 2 . . . . . . . . 6464 1 224 . 1 1 23 23 SER C C 13 171.0 0.1 . 1 . . . . . . . . 6464 1 225 . 1 1 24 24 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 6464 1 226 . 1 1 24 24 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 6464 1 227 . 1 1 24 24 LEU CA C 13 52.5 0.1 . 1 . . . . . . . . 6464 1 228 . 1 1 24 24 LEU HA H 1 4.52 0.02 . 1 . . . . . . . . 6464 1 229 . 1 1 24 24 LEU CB C 13 43.8 0.1 . 1 . . . . . . . . 6464 1 230 . 1 1 24 24 LEU HB2 H 1 0.64 0.02 . 2 . . . . . . . . 6464 1 231 . 1 1 24 24 LEU HB3 H 1 -0.47 0.02 . 2 . . . . . . . . 6464 1 232 . 1 1 24 24 LEU HG H 1 0.80 0.02 . 1 . . . . . . . . 6464 1 233 . 1 1 24 24 LEU HD11 H 1 0.25 0.02 . 2 . . . . . . . . 6464 1 234 . 1 1 24 24 LEU HD12 H 1 0.25 0.02 . 2 . . . . . . . . 6464 1 235 . 1 1 24 24 LEU HD13 H 1 0.25 0.02 . 2 . . . . . . . . 6464 1 236 . 1 1 24 24 LEU HD21 H 1 0.58 0.02 . 2 . . . . . . . . 6464 1 237 . 1 1 24 24 LEU HD22 H 1 0.58 0.02 . 2 . . . . . . . . 6464 1 238 . 1 1 24 24 LEU HD23 H 1 0.58 0.02 . 2 . . . . . . . . 6464 1 239 . 1 1 24 24 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 6464 1 240 . 1 1 24 24 LEU CD2 C 13 23.1 0.1 . 1 . . . . . . . . 6464 1 241 . 1 1 24 24 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 6464 1 242 . 1 1 25 25 GLU N N 15 128.6 0.1 . 1 . . . . . . . . 6464 1 243 . 1 1 25 25 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 6464 1 244 . 1 1 25 25 GLU CA C 13 55.5 0.1 . 1 . . . . . . . . 6464 1 245 . 1 1 25 25 GLU HA H 1 3.52 0.02 . 1 . . . . . . . . 6464 1 246 . 1 1 25 25 GLU CB C 13 30.9 0.1 . 1 . . . . . . . . 6464 1 247 . 1 1 25 25 GLU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 6464 1 248 . 1 1 25 25 GLU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 6464 1 249 . 1 1 25 25 GLU CG C 13 35.4 0.1 . 1 . . . . . . . . 6464 1 250 . 1 1 25 25 GLU HG2 H 1 1.53 0.02 . 2 . . . . . . . . 6464 1 251 . 1 1 25 25 GLU HG3 H 1 1.21 0.02 . 2 . . . . . . . . 6464 1 252 . 1 1 25 25 GLU C C 13 174.9 0.1 . 1 . . . . . . . . 6464 1 253 . 1 1 26 26 ILE N N 15 131.9 0.1 . 1 . . . . . . . . 6464 1 254 . 1 1 26 26 ILE H H 1 8.34 0.02 . 1 . . . . . . . . 6464 1 255 . 1 1 26 26 ILE CA C 13 57.4 0.1 . 1 . . . . . . . . 6464 1 256 . 1 1 26 26 ILE HA H 1 3.43 0.02 . 1 . . . . . . . . 6464 1 257 . 1 1 26 26 ILE CB C 13 37.3 0.1 . 1 . . . . . . . . 6464 1 258 . 1 1 26 26 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 6464 1 259 . 1 1 26 26 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 6464 1 260 . 1 1 26 26 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 6464 1 261 . 1 1 26 26 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 6464 1 262 . 1 1 26 26 ILE CG2 C 13 16.3 0.1 . 1 . . . . . . . . 6464 1 263 . 1 1 26 26 ILE CG1 C 13 27.9 0.1 . 1 . . . . . . . . 6464 1 264 . 1 1 26 26 ILE HG12 H 1 1.11 0.02 . 2 . . . . . . . . 6464 1 265 . 1 1 26 26 ILE HG13 H 1 0.82 0.02 . 2 . . . . . . . . 6464 1 266 . 1 1 26 26 ILE HD11 H 1 0.34 0.02 . 1 . . . . . . . . 6464 1 267 . 1 1 26 26 ILE HD12 H 1 0.34 0.02 . 1 . . . . . . . . 6464 1 268 . 1 1 26 26 ILE HD13 H 1 0.34 0.02 . 1 . . . . . . . . 6464 1 269 . 1 1 26 26 ILE CD1 C 13 11.1 0.1 . 1 . . . . . . . . 6464 1 270 . 1 1 27 27 PRO CD C 13 50.3 0.1 . 1 . . . . . . . . 6464 1 271 . 1 1 27 27 PRO CA C 13 63.6 0.1 . 1 . . . . . . . . 6464 1 272 . 1 1 27 27 PRO HA H 1 4.17 0.02 . 1 . . . . . . . . 6464 1 273 . 1 1 27 27 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 6464 1 274 . 1 1 27 27 PRO HB2 H 1 2.24 0.02 . 2 . . . . . . . . 6464 1 275 . 1 1 27 27 PRO HB3 H 1 1.75 0.02 . 2 . . . . . . . . 6464 1 276 . 1 1 27 27 PRO CG C 13 28.3 0.1 . 1 . . . . . . . . 6464 1 277 . 1 1 27 27 PRO HG2 H 1 1.69 0.02 . 2 . . . . . . . . 6464 1 278 . 1 1 27 27 PRO HG3 H 1 1.51 0.02 . 2 . . . . . . . . 6464 1 279 . 1 1 27 27 PRO HD2 H 1 2.66 0.02 . 2 . . . . . . . . 6464 1 280 . 1 1 27 27 PRO HD3 H 1 1.83 0.02 . 2 . . . . . . . . 6464 1 281 . 1 1 27 27 PRO C C 13 177.1 0.1 . 1 . . . . . . . . 6464 1 282 . 1 1 28 28 LEU N N 15 124.7 0.1 . 1 . . . . . . . . 6464 1 283 . 1 1 28 28 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 6464 1 284 . 1 1 28 28 LEU CA C 13 57.8 0.1 . 1 . . . . . . . . 6464 1 285 . 1 1 28 28 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 6464 1 286 . 1 1 28 28 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . 6464 1 287 . 1 1 28 28 LEU HB2 H 1 1.60 0.02 . 1 . . . . . . . . 6464 1 288 . 1 1 28 28 LEU HB3 H 1 1.60 0.02 . 1 . . . . . . . . 6464 1 289 . 1 1 28 28 LEU CG C 13 27.3 0.1 . 1 . . . . . . . . 6464 1 290 . 1 1 28 28 LEU HG H 1 1.71 0.02 . 1 . . . . . . . . 6464 1 291 . 1 1 28 28 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 6464 1 292 . 1 1 28 28 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 6464 1 293 . 1 1 28 28 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 6464 1 294 . 1 1 28 28 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 6464 1 295 . 1 1 28 28 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 6464 1 296 . 1 1 28 28 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 6464 1 297 . 1 1 28 28 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 6464 1 298 . 1 1 28 28 LEU CD2 C 13 23.7 0.1 . 1 . . . . . . . . 6464 1 299 . 1 1 28 28 LEU C C 13 180.0 0.1 . 1 . . . . . . . . 6464 1 300 . 1 1 29 29 GLY N N 15 106.2 0.1 . 1 . . . . . . . . 6464 1 301 . 1 1 29 29 GLY H H 1 8.74 0.02 . 1 . . . . . . . . 6464 1 302 . 1 1 29 29 GLY CA C 13 46.4 0.1 . 1 . . . . . . . . 6464 1 303 . 1 1 29 29 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 6464 1 304 . 1 1 29 29 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 6464 1 305 . 1 1 29 29 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 6464 1 306 . 1 1 30 30 PHE N N 15 122.0 0.1 . 1 . . . . . . . . 6464 1 307 . 1 1 30 30 PHE H H 1 8.03 0.02 . 1 . . . . . . . . 6464 1 308 . 1 1 30 30 PHE CA C 13 58.6 0.1 . 1 . . . . . . . . 6464 1 309 . 1 1 30 30 PHE HA H 1 4.31 0.02 . 1 . . . . . . . . 6464 1 310 . 1 1 30 30 PHE CB C 13 41.3 0.1 . 1 . . . . . . . . 6464 1 311 . 1 1 30 30 PHE HB2 H 1 2.82 0.02 . 2 . . . . . . . . 6464 1 312 . 1 1 30 30 PHE HB3 H 1 2.77 0.02 . 2 . . . . . . . . 6464 1 313 . 1 1 30 30 PHE C C 13 175.8 0.1 . 1 . . . . . . . . 6464 1 314 . 1 1 31 31 ASN N N 15 114.7 0.1 . 1 . . . . . . . . 6464 1 315 . 1 1 31 31 ASN H H 1 7.56 0.02 . 1 . . . . . . . . 6464 1 316 . 1 1 31 31 ASN CA C 13 55.8 0.1 . 1 . . . . . . . . 6464 1 317 . 1 1 31 31 ASN HA H 1 4.40 0.02 . 1 . . . . . . . . 6464 1 318 . 1 1 31 31 ASN CB C 13 37.5 0.1 . 1 . . . . . . . . 6464 1 319 . 1 1 31 31 ASN HB2 H 1 2.93 0.02 . 1 . . . . . . . . 6464 1 320 . 1 1 31 31 ASN HB3 H 1 2.93 0.02 . 1 . . . . . . . . 6464 1 321 . 1 1 31 31 ASN ND2 N 15 107.3 0.1 . 1 . . . . . . . . 6464 1 322 . 1 1 31 31 ASN HD21 H 1 7.34 0.02 . 2 . . . . . . . . 6464 1 323 . 1 1 31 31 ASN HD22 H 1 6.48 0.02 . 2 . . . . . . . . 6464 1 324 . 1 1 31 31 ASN C C 13 177.7 0.1 . 1 . . . . . . . . 6464 1 325 . 1 1 32 32 GLU N N 15 116.7 0.1 . 1 . . . . . . . . 6464 1 326 . 1 1 32 32 GLU H H 1 7.46 0.02 . 1 . . . . . . . . 6464 1 327 . 1 1 32 32 GLU CA C 13 57.9 0.1 . 1 . . . . . . . . 6464 1 328 . 1 1 32 32 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 6464 1 329 . 1 1 32 32 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 6464 1 330 . 1 1 32 32 GLU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 6464 1 331 . 1 1 32 32 GLU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 6464 1 332 . 1 1 32 32 GLU C C 13 176.5 0.1 . 1 . . . . . . . . 6464 1 333 . 1 1 33 33 TYR N N 15 116.8 0.1 . 1 . . . . . . . . 6464 1 334 . 1 1 33 33 TYR H H 1 7.48 0.02 . 1 . . . . . . . . 6464 1 335 . 1 1 33 33 TYR CA C 13 57.9 0.1 . 1 . . . . . . . . 6464 1 336 . 1 1 33 33 TYR HA H 1 4.46 0.02 . 1 . . . . . . . . 6464 1 337 . 1 1 33 33 TYR CB C 13 38.5 0.1 . 1 . . . . . . . . 6464 1 338 . 1 1 33 33 TYR HB2 H 1 2.83 0.02 . 2 . . . . . . . . 6464 1 339 . 1 1 33 33 TYR HB3 H 1 1.94 0.02 . 2 . . . . . . . . 6464 1 340 . 1 1 33 33 TYR C C 13 176.6 0.1 . 1 . . . . . . . . 6464 1 341 . 1 1 34 34 PHE N N 15 118.4 0.1 . 1 . . . . . . . . 6464 1 342 . 1 1 34 34 PHE H H 1 7.15 0.02 . 1 . . . . . . . . 6464 1 343 . 1 1 34 34 PHE CA C 13 57.1 0.1 . 1 . . . . . . . . 6464 1 344 . 1 1 34 34 PHE HA H 1 5.22 0.02 . 1 . . . . . . . . 6464 1 345 . 1 1 34 34 PHE CB C 13 38.6 0.1 . 1 . . . . . . . . 6464 1 346 . 1 1 34 34 PHE HB2 H 1 3.07 0.02 . 1 . . . . . . . . 6464 1 347 . 1 1 34 34 PHE HB3 H 1 3.07 0.02 . 1 . . . . . . . . 6464 1 348 . 1 1 35 35 PRO CD C 13 51.2 0.1 . 1 . . . . . . . . 6464 1 349 . 1 1 35 35 PRO CA C 13 63.6 0.1 . 1 . . . . . . . . 6464 1 350 . 1 1 35 35 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 6464 1 351 . 1 1 35 35 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 6464 1 352 . 1 1 35 35 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 6464 1 353 . 1 1 35 35 PRO HB3 H 1 1.86 0.02 . 2 . . . . . . . . 6464 1 354 . 1 1 35 35 PRO CG C 13 27.6 0.1 . 1 . . . . . . . . 6464 1 355 . 1 1 35 35 PRO HG2 H 1 2.03 0.02 . 2 . . . . . . . . 6464 1 356 . 1 1 35 35 PRO HG3 H 1 1.88 0.02 . 2 . . . . . . . . 6464 1 357 . 1 1 35 35 PRO HD2 H 1 4.23 0.02 . 2 . . . . . . . . 6464 1 358 . 1 1 35 35 PRO HD3 H 1 3.68 0.02 . 2 . . . . . . . . 6464 1 359 . 1 1 35 35 PRO C C 13 175.2 0.1 . 1 . . . . . . . . 6464 1 360 . 1 1 36 36 ALA N N 15 119.6 0.1 . 1 . . . . . . . . 6464 1 361 . 1 1 36 36 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 6464 1 362 . 1 1 36 36 ALA CA C 13 49.0 0.1 . 1 . . . . . . . . 6464 1 363 . 1 1 36 36 ALA HA H 1 4.74 0.02 . 1 . . . . . . . . 6464 1 364 . 1 1 36 36 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 6464 1 365 . 1 1 36 36 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 6464 1 366 . 1 1 36 36 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6464 1 367 . 1 1 36 36 ALA CB C 13 20.9 0.1 . 1 . . . . . . . . 6464 1 368 . 1 1 37 37 PRO CD C 13 50.3 0.1 . 1 . . . . . . . . 6464 1 369 . 1 1 37 37 PRO HD2 H 1 3.74 0.02 . 2 . . . . . . . . 6464 1 370 . 1 1 37 37 PRO HD3 H 1 2.59 0.02 . 2 . . . . . . . . 6464 1 371 . 1 1 37 37 PRO C C 13 175.5 0.1 . 1 . . . . . . . . 6464 1 372 . 1 1 38 38 PHE N N 15 124.0 0.1 . 1 . . . . . . . . 6464 1 373 . 1 1 38 38 PHE H H 1 8.43 0.02 . 1 . . . . . . . . 6464 1 374 . 1 1 39 39 PRO CD C 13 50.3 0.1 . 1 . . . . . . . . 6464 1 375 . 1 1 39 39 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 6464 1 376 . 1 1 39 39 PRO HA H 1 4.69 0.02 . 1 . . . . . . . . 6464 1 377 . 1 1 39 39 PRO CB C 13 34.4 0.1 . 1 . . . . . . . . 6464 1 378 . 1 1 39 39 PRO HB2 H 1 2.44 0.02 . 2 . . . . . . . . 6464 1 379 . 1 1 39 39 PRO HB3 H 1 2.10 0.02 . 2 . . . . . . . . 6464 1 380 . 1 1 39 39 PRO CG C 13 25.4 0.1 . 1 . . . . . . . . 6464 1 381 . 1 1 39 39 PRO HG2 H 1 1.94 0.02 . 1 . . . . . . . . 6464 1 382 . 1 1 39 39 PRO HG3 H 1 1.94 0.02 . 1 . . . . . . . . 6464 1 383 . 1 1 39 39 PRO HD2 H 1 3.63 0.02 . 2 . . . . . . . . 6464 1 384 . 1 1 39 39 PRO HD3 H 1 3.53 0.02 . 2 . . . . . . . . 6464 1 385 . 1 1 39 39 PRO C C 13 173.8 0.1 . 1 . . . . . . . . 6464 1 386 . 1 1 40 40 ILE N N 15 119.6 0.1 . 1 . . . . . . . . 6464 1 387 . 1 1 40 40 ILE H H 1 8.19 0.02 . 1 . . . . . . . . 6464 1 388 . 1 1 40 40 ILE CA C 13 62.9 0.1 . 1 . . . . . . . . 6464 1 389 . 1 1 40 40 ILE HA H 1 4.35 0.02 . 1 . . . . . . . . 6464 1 390 . 1 1 40 40 ILE CB C 13 38.6 0.1 . 1 . . . . . . . . 6464 1 391 . 1 1 40 40 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 6464 1 392 . 1 1 40 40 ILE HG21 H 1 1.13 0.02 . 1 . . . . . . . . 6464 1 393 . 1 1 40 40 ILE HG22 H 1 1.13 0.02 . 1 . . . . . . . . 6464 1 394 . 1 1 40 40 ILE HG23 H 1 1.13 0.02 . 1 . . . . . . . . 6464 1 395 . 1 1 40 40 ILE CG2 C 13 18.3 0.1 . 1 . . . . . . . . 6464 1 396 . 1 1 40 40 ILE CG1 C 13 27.9 0.1 . 1 . . . . . . . . 6464 1 397 . 1 1 40 40 ILE HG12 H 1 1.73 0.02 . 2 . . . . . . . . 6464 1 398 . 1 1 40 40 ILE HG13 H 1 1.43 0.02 . 2 . . . . . . . . 6464 1 399 . 1 1 40 40 ILE HD11 H 1 1.00 0.02 . 1 . . . . . . . . 6464 1 400 . 1 1 40 40 ILE HD12 H 1 1.00 0.02 . 1 . . . . . . . . 6464 1 401 . 1 1 40 40 ILE HD13 H 1 1.00 0.02 . 1 . . . . . . . . 6464 1 402 . 1 1 40 40 ILE CD1 C 13 13.1 0.1 . 1 . . . . . . . . 6464 1 403 . 1 1 40 40 ILE C C 13 177.7 0.1 . 1 . . . . . . . . 6464 1 404 . 1 1 41 41 THR N N 15 108.0 0.1 . 1 . . . . . . . . 6464 1 405 . 1 1 41 41 THR H H 1 7.49 0.02 . 1 . . . . . . . . 6464 1 406 . 1 1 41 41 THR CA C 13 59.1 0.1 . 1 . . . . . . . . 6464 1 407 . 1 1 41 41 THR HA H 1 5.26 0.02 . 1 . . . . . . . . 6464 1 408 . 1 1 41 41 THR CB C 13 72.8 0.1 . 1 . . . . . . . . 6464 1 409 . 1 1 41 41 THR HB H 1 4.13 0.02 . 1 . . . . . . . . 6464 1 410 . 1 1 41 41 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6464 1 411 . 1 1 41 41 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6464 1 412 . 1 1 41 41 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6464 1 413 . 1 1 41 41 THR CG2 C 13 22.1 0.1 . 1 . . . . . . . . 6464 1 414 . 1 1 41 41 THR C C 13 173.4 0.1 . 1 . . . . . . . . 6464 1 415 . 1 1 42 42 VAL N N 15 112.6 0.1 . 1 . . . . . . . . 6464 1 416 . 1 1 42 42 VAL H H 1 9.11 0.02 . 1 . . . . . . . . 6464 1 417 . 1 1 42 42 VAL CA C 13 59.2 0.1 . 1 . . . . . . . . 6464 1 418 . 1 1 42 42 VAL HA H 1 5.11 0.02 . 1 . . . . . . . . 6464 1 419 . 1 1 42 42 VAL CB C 13 36.0 0.1 . 1 . . . . . . . . 6464 1 420 . 1 1 42 42 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 6464 1 421 . 1 1 42 42 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 6464 1 422 . 1 1 42 42 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 6464 1 423 . 1 1 42 42 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 6464 1 424 . 1 1 42 42 VAL HG21 H 1 0.85 0.02 . 2 . . . . . . . . 6464 1 425 . 1 1 42 42 VAL HG22 H 1 0.85 0.02 . 2 . . . . . . . . 6464 1 426 . 1 1 42 42 VAL HG23 H 1 0.85 0.02 . 2 . . . . . . . . 6464 1 427 . 1 1 42 42 VAL CG1 C 13 22.8 0.1 . 1 . . . . . . . . 6464 1 428 . 1 1 42 42 VAL CG2 C 13 18.6 0.1 . 1 . . . . . . . . 6464 1 429 . 1 1 42 42 VAL C C 13 173.9 0.1 . 1 . . . . . . . . 6464 1 430 . 1 1 43 43 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 6464 1 431 . 1 1 43 43 ASP H H 1 8.93 0.02 . 1 . . . . . . . . 6464 1 432 . 1 1 43 43 ASP CA C 13 53.3 0.1 . 1 . . . . . . . . 6464 1 433 . 1 1 43 43 ASP HA H 1 5.76 0.02 . 1 . . . . . . . . 6464 1 434 . 1 1 43 43 ASP CB C 13 43.1 0.1 . 1 . . . . . . . . 6464 1 435 . 1 1 43 43 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 6464 1 436 . 1 1 43 43 ASP HB3 H 1 2.54 0.02 . 2 . . . . . . . . 6464 1 437 . 1 1 43 43 ASP C C 13 174.5 0.1 . 1 . . . . . . . . 6464 1 438 . 1 1 44 44 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 6464 1 439 . 1 1 44 44 LEU H H 1 9.57 0.02 . 1 . . . . . . . . 6464 1 440 . 1 1 44 44 LEU CA C 13 53.5 0.1 . 1 . . . . . . . . 6464 1 441 . 1 1 44 44 LEU HA H 1 5.38 0.02 . 1 . . . . . . . . 6464 1 442 . 1 1 44 44 LEU CB C 13 42.5 0.1 . 1 . . . . . . . . 6464 1 443 . 1 1 44 44 LEU HB2 H 1 2.20 0.02 . 2 . . . . . . . . 6464 1 444 . 1 1 44 44 LEU HB3 H 1 1.22 0.02 . 2 . . . . . . . . 6464 1 445 . 1 1 44 44 LEU CG C 13 28.3 0.1 . 1 . . . . . . . . 6464 1 446 . 1 1 44 44 LEU HG H 1 1.81 0.02 . 1 . . . . . . . . 6464 1 447 . 1 1 44 44 LEU HD11 H 1 0.63 0.02 . 2 . . . . . . . . 6464 1 448 . 1 1 44 44 LEU HD12 H 1 0.63 0.02 . 2 . . . . . . . . 6464 1 449 . 1 1 44 44 LEU HD13 H 1 0.63 0.02 . 2 . . . . . . . . 6464 1 450 . 1 1 44 44 LEU HD21 H 1 0.66 0.02 . 2 . . . . . . . . 6464 1 451 . 1 1 44 44 LEU HD22 H 1 0.66 0.02 . 2 . . . . . . . . 6464 1 452 . 1 1 44 44 LEU HD23 H 1 0.66 0.02 . 2 . . . . . . . . 6464 1 453 . 1 1 44 44 LEU CD1 C 13 26.3 0.1 . 1 . . . . . . . . 6464 1 454 . 1 1 44 44 LEU CD2 C 13 25.0 0.1 . 1 . . . . . . . . 6464 1 455 . 1 1 44 44 LEU C C 13 175.3 0.1 . 1 . . . . . . . . 6464 1 456 . 1 1 45 45 LEU N N 15 124.6 0.1 . 1 . . . . . . . . 6464 1 457 . 1 1 45 45 LEU H H 1 9.28 0.02 . 1 . . . . . . . . 6464 1 458 . 1 1 45 45 LEU CA C 13 54.0 0.1 . 1 . . . . . . . . 6464 1 459 . 1 1 45 45 LEU HA H 1 5.63 0.02 . 1 . . . . . . . . 6464 1 460 . 1 1 45 45 LEU CB C 13 45.8 0.1 . 1 . . . . . . . . 6464 1 461 . 1 1 45 45 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 6464 1 462 . 1 1 45 45 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 6464 1 463 . 1 1 45 45 LEU CG C 13 28.6 0.1 . 1 . . . . . . . . 6464 1 464 . 1 1 45 45 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 6464 1 465 . 1 1 45 45 LEU HD11 H 1 0.75 0.02 . 2 . . . . . . . . 6464 1 466 . 1 1 45 45 LEU HD12 H 1 0.75 0.02 . 2 . . . . . . . . 6464 1 467 . 1 1 45 45 LEU HD13 H 1 0.75 0.02 . 2 . . . . . . . . 6464 1 468 . 1 1 45 45 LEU HD21 H 1 0.86 0.02 . 2 . . . . . . . . 6464 1 469 . 1 1 45 45 LEU HD22 H 1 0.86 0.02 . 2 . . . . . . . . 6464 1 470 . 1 1 45 45 LEU HD23 H 1 0.86 0.02 . 2 . . . . . . . . 6464 1 471 . 1 1 45 45 LEU CD1 C 13 25.7 0.1 . 1 . . . . . . . . 6464 1 472 . 1 1 45 45 LEU CD2 C 13 25.0 0.1 . 1 . . . . . . . . 6464 1 473 . 1 1 45 45 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 6464 1 474 . 1 1 46 46 ASP N N 15 117.8 0.1 . 1 . . . . . . . . 6464 1 475 . 1 1 46 46 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 6464 1 476 . 1 1 47 47 TYR C C 13 176.6 0.1 . 1 . . . . . . . . 6464 1 477 . 1 1 48 48 SER N N 15 117.2 0.1 . 1 . . . . . . . . 6464 1 478 . 1 1 48 48 SER H H 1 8.48 0.02 . 1 . . . . . . . . 6464 1 479 . 1 1 48 48 SER C C 13 175.2 0.1 . 1 . . . . . . . . 6464 1 480 . 1 1 49 49 GLY N N 15 111.0 0.1 . 1 . . . . . . . . 6464 1 481 . 1 1 49 49 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 6464 1 482 . 1 1 49 49 GLY CA C 13 45.6 0.1 . 1 . . . . . . . . 6464 1 483 . 1 1 49 49 GLY HA2 H 1 4.38 0.02 . 2 . . . . . . . . 6464 1 484 . 1 1 49 49 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 6464 1 485 . 1 1 49 49 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 6464 1 486 . 1 1 50 50 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 6464 1 487 . 1 1 50 50 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 6464 1 488 . 1 1 50 50 ARG CA C 13 56.9 0.1 . 1 . . . . . . . . 6464 1 489 . 1 1 50 50 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 6464 1 490 . 1 1 50 50 ARG CB C 13 32.3 0.1 . 1 . . . . . . . . 6464 1 491 . 1 1 50 50 ARG HB2 H 1 1.73 0.02 . 2 . . . . . . . . 6464 1 492 . 1 1 50 50 ARG HB3 H 1 0.95 0.02 . 2 . . . . . . . . 6464 1 493 . 1 1 50 50 ARG CG C 13 27.3 0.1 . 1 . . . . . . . . 6464 1 494 . 1 1 50 50 ARG HG2 H 1 1.48 0.02 . 2 . . . . . . . . 6464 1 495 . 1 1 50 50 ARG HG3 H 1 1.16 0.02 . 2 . . . . . . . . 6464 1 496 . 1 1 50 50 ARG CD C 13 43.8 0.1 . 1 . . . . . . . . 6464 1 497 . 1 1 50 50 ARG HD2 H 1 3.15 0.02 . 2 . . . . . . . . 6464 1 498 . 1 1 50 50 ARG HD3 H 1 2.97 0.02 . 2 . . . . . . . . 6464 1 499 . 1 1 50 50 ARG C C 13 174.4 0.1 . 1 . . . . . . . . 6464 1 500 . 1 1 51 51 SER N N 15 112.2 0.1 . 1 . . . . . . . . 6464 1 501 . 1 1 51 51 SER H H 1 7.26 0.02 . 1 . . . . . . . . 6464 1 502 . 1 1 51 51 SER CA C 13 56.6 0.1 . 1 . . . . . . . . 6464 1 503 . 1 1 51 51 SER HA H 1 5.70 0.02 . 1 . . . . . . . . 6464 1 504 . 1 1 51 51 SER CB C 13 67.0 0.1 . 1 . . . . . . . . 6464 1 505 . 1 1 51 51 SER HB2 H 1 3.53 0.02 . 1 . . . . . . . . 6464 1 506 . 1 1 51 51 SER HB3 H 1 3.53 0.02 . 1 . . . . . . . . 6464 1 507 . 1 1 51 51 SER C C 13 173.9 0.1 . 1 . . . . . . . . 6464 1 508 . 1 1 52 52 TRP N N 15 126.3 0.1 . 1 . . . . . . . . 6464 1 509 . 1 1 52 52 TRP H H 1 9.70 0.02 . 1 . . . . . . . . 6464 1 510 . 1 1 52 52 TRP CA C 13 59.2 0.1 . 1 . . . . . . . . 6464 1 511 . 1 1 52 52 TRP HA H 1 4.82 0.02 . 1 . . . . . . . . 6464 1 512 . 1 1 52 52 TRP CB C 13 33.1 0.1 . 1 . . . . . . . . 6464 1 513 . 1 1 52 52 TRP HB2 H 1 3.44 0.02 . 2 . . . . . . . . 6464 1 514 . 1 1 52 52 TRP HB3 H 1 3.33 0.02 . 2 . . . . . . . . 6464 1 515 . 1 1 52 52 TRP NE1 N 15 132.2 0.1 . 1 . . . . . . . . 6464 1 516 . 1 1 52 52 TRP HE1 H 1 11.64 0.02 . 1 . . . . . . . . 6464 1 517 . 1 1 52 52 TRP C C 13 175.3 0.1 . 1 . . . . . . . . 6464 1 518 . 1 1 53 53 THR N N 15 122.1 0.1 . 1 . . . . . . . . 6464 1 519 . 1 1 53 53 THR H H 1 9.01 0.02 . 1 . . . . . . . . 6464 1 520 . 1 1 53 53 THR CA C 13 63.6 0.1 . 1 . . . . . . . . 6464 1 521 . 1 1 53 53 THR HA H 1 5.45 0.02 . 1 . . . . . . . . 6464 1 522 . 1 1 53 53 THR CB C 13 70.4 0.1 . 1 . . . . . . . . 6464 1 523 . 1 1 53 53 THR HB H 1 3.96 0.02 . 1 . . . . . . . . 6464 1 524 . 1 1 53 53 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 6464 1 525 . 1 1 53 53 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 6464 1 526 . 1 1 53 53 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 6464 1 527 . 1 1 53 53 THR CG2 C 13 22.5 0.1 . 1 . . . . . . . . 6464 1 528 . 1 1 53 53 THR C C 13 175.5 0.1 . 1 . . . . . . . . 6464 1 529 . 1 1 54 54 VAL N N 15 126.7 0.1 . 1 . . . . . . . . 6464 1 530 . 1 1 54 54 VAL H H 1 9.64 0.02 . 1 . . . . . . . . 6464 1 531 . 1 1 54 54 VAL CA C 13 59.9 0.1 . 1 . . . . . . . . 6464 1 532 . 1 1 54 54 VAL HA H 1 5.28 0.02 . 1 . . . . . . . . 6464 1 533 . 1 1 54 54 VAL CB C 13 35.6 0.1 . 1 . . . . . . . . 6464 1 534 . 1 1 54 54 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 6464 1 535 . 1 1 54 54 VAL HG11 H 1 1.08 0.02 . 2 . . . . . . . . 6464 1 536 . 1 1 54 54 VAL HG12 H 1 1.08 0.02 . 2 . . . . . . . . 6464 1 537 . 1 1 54 54 VAL HG13 H 1 1.08 0.02 . 2 . . . . . . . . 6464 1 538 . 1 1 54 54 VAL HG21 H 1 0.95 0.02 . 2 . . . . . . . . 6464 1 539 . 1 1 54 54 VAL HG22 H 1 0.95 0.02 . 2 . . . . . . . . 6464 1 540 . 1 1 54 54 VAL HG23 H 1 0.95 0.02 . 2 . . . . . . . . 6464 1 541 . 1 1 54 54 VAL CG1 C 13 23.4 0.1 . 1 . . . . . . . . 6464 1 542 . 1 1 54 54 VAL CG2 C 13 22.1 0.1 . 1 . . . . . . . . 6464 1 543 . 1 1 54 54 VAL C C 13 174.4 0.1 . 1 . . . . . . . . 6464 1 544 . 1 1 55 55 ARG N N 15 125.0 0.1 . 1 . . . . . . . . 6464 1 545 . 1 1 55 55 ARG H H 1 8.78 0.02 . 1 . . . . . . . . 6464 1 546 . 1 1 55 55 ARG CA C 13 56.5 0.1 . 1 . . . . . . . . 6464 1 547 . 1 1 55 55 ARG HA H 1 4.73 0.02 . 1 . . . . . . . . 6464 1 548 . 1 1 55 55 ARG CB C 13 32.2 0.1 . 1 . . . . . . . . 6464 1 549 . 1 1 55 55 ARG HB2 H 1 2.03 0.02 . 2 . . . . . . . . 6464 1 550 . 1 1 55 55 ARG HB3 H 1 1.95 0.02 . 2 . . . . . . . . 6464 1 551 . 1 1 55 55 ARG CG C 13 28.3 0.1 . 1 . . . . . . . . 6464 1 552 . 1 1 55 55 ARG HG2 H 1 1.81 0.02 . 2 . . . . . . . . 6464 1 553 . 1 1 55 55 ARG HG3 H 1 1.78 0.02 . 2 . . . . . . . . 6464 1 554 . 1 1 55 55 ARG CD C 13 43.5 0.1 . 1 . . . . . . . . 6464 1 555 . 1 1 55 55 ARG HD2 H 1 3.31 0.02 . 1 . . . . . . . . 6464 1 556 . 1 1 55 55 ARG HD3 H 1 3.31 0.02 . 1 . . . . . . . . 6464 1 557 . 1 1 55 55 ARG C C 13 174.9 0.1 . 1 . . . . . . . . 6464 1 558 . 1 1 56 56 MET N N 15 124.3 0.1 . 1 . . . . . . . . 6464 1 559 . 1 1 56 56 MET H H 1 8.07 0.02 . 1 . . . . . . . . 6464 1 560 . 1 1 56 56 MET CA C 13 55.0 0.1 . 1 . . . . . . . . 6464 1 561 . 1 1 56 56 MET HA H 1 5.44 0.02 . 1 . . . . . . . . 6464 1 562 . 1 1 56 56 MET CB C 13 37.1 0.1 . 1 . . . . . . . . 6464 1 563 . 1 1 56 56 MET HB2 H 1 1.86 0.02 . 1 . . . . . . . . 6464 1 564 . 1 1 56 56 MET HB3 H 1 1.86 0.02 . 1 . . . . . . . . 6464 1 565 . 1 1 56 56 MET CG C 13 32.5 0.1 . 1 . . . . . . . . 6464 1 566 . 1 1 56 56 MET HG2 H 1 2.09 0.02 . 2 . . . . . . . . 6464 1 567 . 1 1 56 56 MET HG3 H 1 2.02 0.02 . 2 . . . . . . . . 6464 1 568 . 1 1 56 56 MET HE1 H 1 1.20 0.02 . 1 . . . . . . . . 6464 1 569 . 1 1 56 56 MET HE2 H 1 1.20 0.02 . 1 . . . . . . . . 6464 1 570 . 1 1 56 56 MET HE3 H 1 1.20 0.02 . 1 . . . . . . . . 6464 1 571 . 1 1 56 56 MET CE C 13 17.3 0.1 . 1 . . . . . . . . 6464 1 572 . 1 1 56 56 MET C C 13 175.6 0.1 . 1 . . . . . . . . 6464 1 573 . 1 1 57 57 LYS N N 15 125.0 0.1 . 1 . . . . . . . . 6464 1 574 . 1 1 57 57 LYS H H 1 9.26 0.02 . 1 . . . . . . . . 6464 1 575 . 1 1 57 57 LYS CA C 13 54.9 0.1 . 1 . . . . . . . . 6464 1 576 . 1 1 57 57 LYS HA H 1 4.76 0.02 . 1 . . . . . . . . 6464 1 577 . 1 1 57 57 LYS CB C 13 37.7 0.1 . 1 . . . . . . . . 6464 1 578 . 1 1 57 57 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 6464 1 579 . 1 1 57 57 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 6464 1 580 . 1 1 57 57 LYS CG C 13 24.7 0.1 . 1 . . . . . . . . 6464 1 581 . 1 1 57 57 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 6464 1 582 . 1 1 57 57 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 6464 1 583 . 1 1 57 57 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 6464 1 584 . 1 1 57 57 LYS HD2 H 1 1.79 0.02 . 2 . . . . . . . . 6464 1 585 . 1 1 57 57 LYS HD3 H 1 1.70 0.02 . 2 . . . . . . . . 6464 1 586 . 1 1 57 57 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 6464 1 587 . 1 1 57 57 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6464 1 588 . 1 1 57 57 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6464 1 589 . 1 1 57 57 LYS C C 13 174.2 0.1 . 1 . . . . . . . . 6464 1 590 . 1 1 58 58 LYS N N 15 126.1 0.1 . 1 . . . . . . . . 6464 1 591 . 1 1 58 58 LYS H H 1 8.71 0.02 . 1 . . . . . . . . 6464 1 592 . 1 1 58 58 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 6464 1 593 . 1 1 58 58 LYS HA H 1 5.08 0.02 . 1 . . . . . . . . 6464 1 594 . 1 1 58 58 LYS CB C 13 34.0 0.1 . 1 . . . . . . . . 6464 1 595 . 1 1 58 58 LYS HB2 H 1 1.65 0.02 . 2 . . . . . . . . 6464 1 596 . 1 1 58 58 LYS HB3 H 1 1.23 0.02 . 2 . . . . . . . . 6464 1 597 . 1 1 58 58 LYS CG C 13 25.4 0.1 . 1 . . . . . . . . 6464 1 598 . 1 1 58 58 LYS HG2 H 1 1.05 0.02 . 2 . . . . . . . . 6464 1 599 . 1 1 58 58 LYS HG3 H 1 0.96 0.02 . 2 . . . . . . . . 6464 1 600 . 1 1 58 58 LYS CD C 13 29.6 0.1 . 1 . . . . . . . . 6464 1 601 . 1 1 58 58 LYS HD2 H 1 1.29 0.02 . 2 . . . . . . . . 6464 1 602 . 1 1 58 58 LYS HD3 H 1 1.18 0.02 . 2 . . . . . . . . 6464 1 603 . 1 1 58 58 LYS CE C 13 41.9 0.1 . 1 . . . . . . . . 6464 1 604 . 1 1 58 58 LYS HE2 H 1 2.57 0.02 . 2 . . . . . . . . 6464 1 605 . 1 1 58 58 LYS HE3 H 1 2.38 0.02 . 2 . . . . . . . . 6464 1 606 . 1 1 59 59 ARG N N 15 127.8 0.1 . 1 . . . . . . . . 6464 1 607 . 1 1 59 59 ARG H H 1 9.23 0.02 . 1 . . . . . . . . 6464 1 608 . 1 1 59 59 ARG C C 13 176.6 0.1 . 1 . . . . . . . . 6464 1 609 . 1 1 60 60 GLY N N 15 127.8 0.1 . 1 . . . . . . . . 6464 1 610 . 1 1 60 60 GLY H H 1 9.23 0.02 . 1 . . . . . . . . 6464 1 611 . 1 1 60 60 GLY CA C 13 47.2 0.1 . 1 . . . . . . . . 6464 1 612 . 1 1 60 60 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 6464 1 613 . 1 1 60 60 GLY HA3 H 1 3.64 0.02 . 2 . . . . . . . . 6464 1 614 . 1 1 60 60 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 6464 1 615 . 1 1 61 61 GLU N N 15 126.1 0.1 . 1 . . . . . . . . 6464 1 616 . 1 1 61 61 GLU H H 1 9.11 0.02 . 1 . . . . . . . . 6464 1 617 . 1 1 61 61 GLU CA C 13 56.7 0.1 . 1 . . . . . . . . 6464 1 618 . 1 1 61 61 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 6464 1 619 . 1 1 61 61 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 6464 1 620 . 1 1 61 61 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 6464 1 621 . 1 1 61 61 GLU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 6464 1 622 . 1 1 61 61 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 6464 1 623 . 1 1 61 61 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 6464 1 624 . 1 1 61 61 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 6464 1 625 . 1 1 61 61 GLU C C 13 175.7 0.1 . 1 . . . . . . . . 6464 1 626 . 1 1 62 62 LYS N N 15 118.1 0.1 . 1 . . . . . . . . 6464 1 627 . 1 1 62 62 LYS H H 1 7.49 0.02 . 1 . . . . . . . . 6464 1 628 . 1 1 62 62 LYS CA C 13 56.3 0.1 . 1 . . . . . . . . 6464 1 629 . 1 1 62 62 LYS HA H 1 4.49 0.02 . 1 . . . . . . . . 6464 1 630 . 1 1 62 62 LYS CB C 13 36.7 0.1 . 1 . . . . . . . . 6464 1 631 . 1 1 62 62 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6464 1 632 . 1 1 62 62 LYS HB3 H 1 1.41 0.02 . 2 . . . . . . . . 6464 1 633 . 1 1 62 62 LYS CG C 13 26.3 0.1 . 1 . . . . . . . . 6464 1 634 . 1 1 62 62 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 6464 1 635 . 1 1 62 62 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 6464 1 636 . 1 1 62 62 LYS CD C 13 28.3 0.1 . 1 . . . . . . . . 6464 1 637 . 1 1 62 62 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 6464 1 638 . 1 1 62 62 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 6464 1 639 . 1 1 62 62 LYS CE C 13 43.2 0.1 . 1 . . . . . . . . 6464 1 640 . 1 1 62 62 LYS HE2 H 1 3.04 0.02 . 2 . . . . . . . . 6464 1 641 . 1 1 62 62 LYS HE3 H 1 2.96 0.02 . 2 . . . . . . . . 6464 1 642 . 1 1 62 62 LYS C C 13 174.6 0.1 . 1 . . . . . . . . 6464 1 643 . 1 1 63 63 VAL N N 15 123.5 0.1 . 1 . . . . . . . . 6464 1 644 . 1 1 63 63 VAL H H 1 9.36 0.02 . 1 . . . . . . . . 6464 1 645 . 1 1 63 63 VAL CA C 13 62.2 0.1 . 1 . . . . . . . . 6464 1 646 . 1 1 63 63 VAL HA H 1 4.47 0.02 . 1 . . . . . . . . 6464 1 647 . 1 1 63 63 VAL CB C 13 33.0 0.1 . 1 . . . . . . . . 6464 1 648 . 1 1 63 63 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 6464 1 649 . 1 1 63 63 VAL HG11 H 1 0.74 0.02 . 2 . . . . . . . . 6464 1 650 . 1 1 63 63 VAL HG12 H 1 0.74 0.02 . 2 . . . . . . . . 6464 1 651 . 1 1 63 63 VAL HG13 H 1 0.74 0.02 . 2 . . . . . . . . 6464 1 652 . 1 1 63 63 VAL HG21 H 1 0.80 0.02 . 2 . . . . . . . . 6464 1 653 . 1 1 63 63 VAL HG22 H 1 0.80 0.02 . 2 . . . . . . . . 6464 1 654 . 1 1 63 63 VAL HG23 H 1 0.80 0.02 . 2 . . . . . . . . 6464 1 655 . 1 1 63 63 VAL CG1 C 13 23.4 0.1 . 1 . . . . . . . . 6464 1 656 . 1 1 63 63 VAL CG2 C 13 22.5 0.1 . 1 . . . . . . . . 6464 1 657 . 1 1 63 63 VAL C C 13 173.5 0.1 . 1 . . . . . . . . 6464 1 658 . 1 1 64 64 PHE N N 15 122.2 0.1 . 1 . . . . . . . . 6464 1 659 . 1 1 64 64 PHE H H 1 8.87 0.02 . 1 . . . . . . . . 6464 1 660 . 1 1 64 64 PHE CA C 13 55.5 0.1 . 1 . . . . . . . . 6464 1 661 . 1 1 64 64 PHE HA H 1 5.28 0.02 . 1 . . . . . . . . 6464 1 662 . 1 1 64 64 PHE CB C 13 43.4 0.1 . 1 . . . . . . . . 6464 1 663 . 1 1 64 64 PHE HB2 H 1 2.52 0.02 . 1 . . . . . . . . 6464 1 664 . 1 1 64 64 PHE HB3 H 1 2.52 0.02 . 1 . . . . . . . . 6464 1 665 . 1 1 64 64 PHE C C 13 175.9 0.1 . 1 . . . . . . . . 6464 1 666 . 1 1 65 65 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 6464 1 667 . 1 1 65 65 LEU H H 1 8.90 0.02 . 1 . . . . . . . . 6464 1 668 . 1 1 65 65 LEU CA C 13 54.3 0.1 . 1 . . . . . . . . 6464 1 669 . 1 1 65 65 LEU HA H 1 5.02 0.02 . 1 . . . . . . . . 6464 1 670 . 1 1 65 65 LEU CB C 13 40.4 0.1 . 1 . . . . . . . . 6464 1 671 . 1 1 65 65 LEU HB2 H 1 1.45 0.02 . 2 . . . . . . . . 6464 1 672 . 1 1 65 65 LEU HB3 H 1 1.29 0.02 . 2 . . . . . . . . 6464 1 673 . 1 1 65 65 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 6464 1 674 . 1 1 65 65 LEU HG H 1 1.34 0.02 . 1 . . . . . . . . 6464 1 675 . 1 1 65 65 LEU HD11 H 1 0.33 0.02 . 2 . . . . . . . . 6464 1 676 . 1 1 65 65 LEU HD12 H 1 0.33 0.02 . 2 . . . . . . . . 6464 1 677 . 1 1 65 65 LEU HD13 H 1 0.33 0.02 . 2 . . . . . . . . 6464 1 678 . 1 1 65 65 LEU HD21 H 1 0.57 0.02 . 2 . . . . . . . . 6464 1 679 . 1 1 65 65 LEU HD22 H 1 0.57 0.02 . 2 . . . . . . . . 6464 1 680 . 1 1 65 65 LEU HD23 H 1 0.57 0.02 . 2 . . . . . . . . 6464 1 681 . 1 1 65 65 LEU CD1 C 13 26.0 0.1 . 1 . . . . . . . . 6464 1 682 . 1 1 65 65 LEU CD2 C 13 23.1 0.1 . 1 . . . . . . . . 6464 1 683 . 1 1 65 65 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 6464 1 684 . 1 1 66 66 THR N N 15 114.4 0.1 . 1 . . . . . . . . 6464 1 685 . 1 1 66 66 THR H H 1 8.76 0.02 . 1 . . . . . . . . 6464 1 686 . 1 1 66 66 THR CA C 13 59.4 0.1 . 1 . . . . . . . . 6464 1 687 . 1 1 66 66 THR HA H 1 4.78 0.02 . 1 . . . . . . . . 6464 1 688 . 1 1 66 66 THR CB C 13 69.1 0.1 . 1 . . . . . . . . 6464 1 689 . 1 1 66 66 THR HB H 1 4.45 0.02 . 1 . . . . . . . . 6464 1 690 . 1 1 66 66 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . 6464 1 691 . 1 1 66 66 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . 6464 1 692 . 1 1 66 66 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . 6464 1 693 . 1 1 66 66 THR CG2 C 13 23.4 0.1 . 1 . . . . . . . . 6464 1 694 . 1 1 66 66 THR C C 13 174.7 0.1 . 1 . . . . . . . . 6464 1 695 . 1 1 67 67 VAL N N 15 125.6 0.1 . 1 . . . . . . . . 6464 1 696 . 1 1 67 67 VAL H H 1 8.93 0.02 . 1 . . . . . . . . 6464 1 697 . 1 1 67 67 VAL CA C 13 65.7 0.1 . 1 . . . . . . . . 6464 1 698 . 1 1 67 67 VAL HA H 1 3.89 0.02 . 1 . . . . . . . . 6464 1 699 . 1 1 67 67 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 6464 1 700 . 1 1 67 67 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . 6464 1 701 . 1 1 67 67 VAL HG11 H 1 1.23 0.02 . 2 . . . . . . . . 6464 1 702 . 1 1 67 67 VAL HG12 H 1 1.23 0.02 . 2 . . . . . . . . 6464 1 703 . 1 1 67 67 VAL HG13 H 1 1.23 0.02 . 2 . . . . . . . . 6464 1 704 . 1 1 67 67 VAL HG21 H 1 1.14 0.02 . 2 . . . . . . . . 6464 1 705 . 1 1 67 67 VAL HG22 H 1 1.14 0.02 . 2 . . . . . . . . 6464 1 706 . 1 1 67 67 VAL HG23 H 1 1.14 0.02 . 2 . . . . . . . . 6464 1 707 . 1 1 67 67 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 6464 1 708 . 1 1 67 67 VAL CG2 C 13 21.2 0.1 . 1 . . . . . . . . 6464 1 709 . 1 1 67 67 VAL C C 13 176.7 0.1 . 1 . . . . . . . . 6464 1 710 . 1 1 68 68 GLY N N 15 117.8 0.1 . 1 . . . . . . . . 6464 1 711 . 1 1 68 68 GLY H H 1 9.37 0.02 . 1 . . . . . . . . 6464 1 712 . 1 1 68 68 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 6464 1 713 . 1 1 68 68 GLY HA2 H 1 5.08 0.02 . 2 . . . . . . . . 6464 1 714 . 1 1 68 68 GLY HA3 H 1 4.03 0.02 . 2 . . . . . . . . 6464 1 715 . 1 1 68 68 GLY C C 13 177.2 0.1 . 1 . . . . . . . . 6464 1 716 . 1 1 69 69 TRP N N 15 127.3 0.1 . 1 . . . . . . . . 6464 1 717 . 1 1 69 69 TRP H H 1 9.50 0.02 . 1 . . . . . . . . 6464 1 718 . 1 1 69 69 TRP CA C 13 60.1 0.1 . 1 . . . . . . . . 6464 1 719 . 1 1 69 69 TRP HA H 1 4.44 0.02 . 1 . . . . . . . . 6464 1 720 . 1 1 69 69 TRP CB C 13 30.1 0.1 . 1 . . . . . . . . 6464 1 721 . 1 1 69 69 TRP HB2 H 1 3.45 0.02 . 2 . . . . . . . . 6464 1 722 . 1 1 69 69 TRP HB3 H 1 3.12 0.02 . 2 . . . . . . . . 6464 1 723 . 1 1 69 69 TRP NE1 N 15 130.2 0.1 . 1 . . . . . . . . 6464 1 724 . 1 1 69 69 TRP HE1 H 1 10.45 0.02 . 1 . . . . . . . . 6464 1 725 . 1 1 69 69 TRP C C 13 177.2 0.1 . 1 . . . . . . . . 6464 1 726 . 1 1 70 70 GLU N N 15 117.6 0.1 . 1 . . . . . . . . 6464 1 727 . 1 1 70 70 GLU H H 1 9.41 0.02 . 1 . . . . . . . . 6464 1 728 . 1 1 70 70 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 6464 1 729 . 1 1 70 70 GLU HA H 1 3.85 0.02 . 1 . . . . . . . . 6464 1 730 . 1 1 70 70 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 6464 1 731 . 1 1 70 70 GLU HB2 H 1 2.20 0.02 . 1 . . . . . . . . 6464 1 732 . 1 1 70 70 GLU HB3 H 1 2.20 0.02 . 1 . . . . . . . . 6464 1 733 . 1 1 70 70 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 6464 1 734 . 1 1 70 70 GLU HG2 H 1 2.50 0.02 . 2 . . . . . . . . 6464 1 735 . 1 1 70 70 GLU HG3 H 1 2.38 0.02 . 2 . . . . . . . . 6464 1 736 . 1 1 70 70 GLU C C 13 178.1 0.1 . 1 . . . . . . . . 6464 1 737 . 1 1 71 71 ASN N N 15 117.3 0.1 . 1 . . . . . . . . 6464 1 738 . 1 1 71 71 ASN H H 1 7.37 0.02 . 1 . . . . . . . . 6464 1 739 . 1 1 71 71 ASN CA C 13 56.3 0.1 . 1 . . . . . . . . 6464 1 740 . 1 1 71 71 ASN HA H 1 4.48 0.02 . 1 . . . . . . . . 6464 1 741 . 1 1 71 71 ASN CB C 13 38.2 0.1 . 1 . . . . . . . . 6464 1 742 . 1 1 71 71 ASN HB2 H 1 3.21 0.02 . 2 . . . . . . . . 6464 1 743 . 1 1 71 71 ASN HB3 H 1 3.02 0.02 . 2 . . . . . . . . 6464 1 744 . 1 1 71 71 ASN ND2 N 15 113.0 0.1 . 1 . . . . . . . . 6464 1 745 . 1 1 71 71 ASN HD21 H 1 8.00 0.02 . 2 . . . . . . . . 6464 1 746 . 1 1 71 71 ASN HD22 H 1 7.10 0.02 . 2 . . . . . . . . 6464 1 747 . 1 1 71 71 ASN C C 13 175.9 0.1 . 1 . . . . . . . . 6464 1 748 . 1 1 72 72 PHE N N 15 121.4 0.1 . 1 . . . . . . . . 6464 1 749 . 1 1 72 72 PHE H H 1 6.97 0.02 . 1 . . . . . . . . 6464 1 750 . 1 1 72 72 PHE CA C 13 62.3 0.1 . 1 . . . . . . . . 6464 1 751 . 1 1 72 72 PHE HA H 1 2.44 0.02 . 1 . . . . . . . . 6464 1 752 . 1 1 72 72 PHE CB C 13 38.7 0.1 . 1 . . . . . . . . 6464 1 753 . 1 1 72 72 PHE HB2 H 1 1.89 0.02 . 1 . . . . . . . . 6464 1 754 . 1 1 72 72 PHE HB3 H 1 1.89 0.02 . 1 . . . . . . . . 6464 1 755 . 1 1 72 72 PHE C C 13 177.7 0.1 . 1 . . . . . . . . 6464 1 756 . 1 1 73 73 VAL N N 15 119.5 0.1 . 1 . . . . . . . . 6464 1 757 . 1 1 73 73 VAL H H 1 7.45 0.02 . 1 . . . . . . . . 6464 1 758 . 1 1 73 73 VAL CA C 13 66.1 0.1 . 1 . . . . . . . . 6464 1 759 . 1 1 73 73 VAL HA H 1 2.62 0.02 . 1 . . . . . . . . 6464 1 760 . 1 1 73 73 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 6464 1 761 . 1 1 73 73 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . 6464 1 762 . 1 1 73 73 VAL HG11 H 1 0.33 0.02 . 2 . . . . . . . . 6464 1 763 . 1 1 73 73 VAL HG12 H 1 0.33 0.02 . 2 . . . . . . . . 6464 1 764 . 1 1 73 73 VAL HG13 H 1 0.33 0.02 . 2 . . . . . . . . 6464 1 765 . 1 1 73 73 VAL HG21 H 1 0.76 0.02 . 2 . . . . . . . . 6464 1 766 . 1 1 73 73 VAL HG22 H 1 0.76 0.02 . 2 . . . . . . . . 6464 1 767 . 1 1 73 73 VAL HG23 H 1 0.76 0.02 . 2 . . . . . . . . 6464 1 768 . 1 1 73 73 VAL CG1 C 13 22.8 0.1 . 1 . . . . . . . . 6464 1 769 . 1 1 73 73 VAL CG2 C 13 21.8 0.1 . 1 . . . . . . . . 6464 1 770 . 1 1 73 73 VAL C C 13 177.7 0.1 . 1 . . . . . . . . 6464 1 771 . 1 1 74 74 LYS N N 15 118.2 0.1 . 1 . . . . . . . . 6464 1 772 . 1 1 74 74 LYS H H 1 7.72 0.02 . 1 . . . . . . . . 6464 1 773 . 1 1 74 74 LYS CA C 13 59.1 0.1 . 1 . . . . . . . . 6464 1 774 . 1 1 74 74 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 6464 1 775 . 1 1 74 74 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 6464 1 776 . 1 1 74 74 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6464 1 777 . 1 1 74 74 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 6464 1 778 . 1 1 74 74 LYS CG C 13 25.0 0.1 . 1 . . . . . . . . 6464 1 779 . 1 1 74 74 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . 6464 1 780 . 1 1 74 74 LYS HG3 H 1 1.46 0.02 . 2 . . . . . . . . 6464 1 781 . 1 1 74 74 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 6464 1 782 . 1 1 74 74 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 6464 1 783 . 1 1 74 74 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 6464 1 784 . 1 1 74 74 LYS C C 13 180.7 0.1 . 1 . . . . . . . . 6464 1 785 . 1 1 75 75 ASP N N 15 119.6 0.1 . 1 . . . . . . . . 6464 1 786 . 1 1 75 75 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 6464 1 787 . 1 1 75 75 ASP CA C 13 57.0 0.1 . 1 . . . . . . . . 6464 1 788 . 1 1 75 75 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 6464 1 789 . 1 1 75 75 ASP CB C 13 41.1 0.1 . 1 . . . . . . . . 6464 1 790 . 1 1 75 75 ASP HB2 H 1 2.79 0.02 . 2 . . . . . . . . 6464 1 791 . 1 1 75 75 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 6464 1 792 . 1 1 75 75 ASP C C 13 177.4 0.1 . 1 . . . . . . . . 6464 1 793 . 1 1 76 76 ASN N N 15 112.7 0.1 . 1 . . . . . . . . 6464 1 794 . 1 1 76 76 ASN H H 1 6.74 0.02 . 1 . . . . . . . . 6464 1 795 . 1 1 76 76 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 6464 1 796 . 1 1 76 76 ASN HA H 1 4.48 0.02 . 1 . . . . . . . . 6464 1 797 . 1 1 76 76 ASN CB C 13 39.1 0.1 . 1 . . . . . . . . 6464 1 798 . 1 1 76 76 ASN HB2 H 1 2.14 0.02 . 2 . . . . . . . . 6464 1 799 . 1 1 76 76 ASN HB3 H 1 1.44 0.02 . 2 . . . . . . . . 6464 1 800 . 1 1 76 76 ASN C C 13 172.6 0.1 . 1 . . . . . . . . 6464 1 801 . 1 1 77 77 ASN N N 15 118.0 0.1 . 1 . . . . . . . . 6464 1 802 . 1 1 77 77 ASN H H 1 7.67 0.02 . 1 . . . . . . . . 6464 1 803 . 1 1 77 77 ASN CA C 13 54.1 0.1 . 1 . . . . . . . . 6464 1 804 . 1 1 77 77 ASN HA H 1 4.26 0.02 . 1 . . . . . . . . 6464 1 805 . 1 1 77 77 ASN CB C 13 37.7 0.1 . 1 . . . . . . . . 6464 1 806 . 1 1 77 77 ASN HB2 H 1 2.87 0.02 . 2 . . . . . . . . 6464 1 807 . 1 1 77 77 ASN HB3 H 1 2.54 0.02 . 2 . . . . . . . . 6464 1 808 . 1 1 77 77 ASN ND2 N 15 113.0 0.1 . 1 . . . . . . . . 6464 1 809 . 1 1 77 77 ASN HD21 H 1 7.44 0.02 . 2 . . . . . . . . 6464 1 810 . 1 1 77 77 ASN HD22 H 1 6.71 0.02 . 2 . . . . . . . . 6464 1 811 . 1 1 77 77 ASN C C 13 174.8 0.1 . 1 . . . . . . . . 6464 1 812 . 1 1 78 78 LEU N N 15 115.8 0.1 . 1 . . . . . . . . 6464 1 813 . 1 1 78 78 LEU H H 1 7.47 0.02 . 1 . . . . . . . . 6464 1 814 . 1 1 78 78 LEU CA C 13 56.7 0.1 . 1 . . . . . . . . 6464 1 815 . 1 1 78 78 LEU HA H 1 3.52 0.02 . 1 . . . . . . . . 6464 1 816 . 1 1 78 78 LEU CB C 13 40.9 0.1 . 1 . . . . . . . . 6464 1 817 . 1 1 78 78 LEU HB2 H 1 0.80 0.02 . 2 . . . . . . . . 6464 1 818 . 1 1 78 78 LEU HB3 H 1 -0.25 0.02 . 2 . . . . . . . . 6464 1 819 . 1 1 78 78 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 6464 1 820 . 1 1 78 78 LEU HG H 1 0.99 0.02 . 1 . . . . . . . . 6464 1 821 . 1 1 78 78 LEU HD11 H 1 0.41 0.02 . 2 . . . . . . . . 6464 1 822 . 1 1 78 78 LEU HD12 H 1 0.41 0.02 . 2 . . . . . . . . 6464 1 823 . 1 1 78 78 LEU HD13 H 1 0.41 0.02 . 2 . . . . . . . . 6464 1 824 . 1 1 78 78 LEU HD21 H 1 0.43 0.02 . 2 . . . . . . . . 6464 1 825 . 1 1 78 78 LEU HD22 H 1 0.43 0.02 . 2 . . . . . . . . 6464 1 826 . 1 1 78 78 LEU HD23 H 1 0.43 0.02 . 2 . . . . . . . . 6464 1 827 . 1 1 78 78 LEU CD1 C 13 26.7 0.1 . 1 . . . . . . . . 6464 1 828 . 1 1 78 78 LEU CD2 C 13 24.1 0.1 . 1 . . . . . . . . 6464 1 829 . 1 1 78 78 LEU C C 13 175.3 0.1 . 1 . . . . . . . . 6464 1 830 . 1 1 79 79 GLU N N 15 117.2 0.1 . 1 . . . . . . . . 6464 1 831 . 1 1 79 79 GLU H H 1 6.42 0.02 . 1 . . . . . . . . 6464 1 832 . 1 1 79 79 GLU CA C 13 54.1 0.1 . 1 . . . . . . . . 6464 1 833 . 1 1 79 79 GLU HA H 1 4.66 0.02 . 1 . . . . . . . . 6464 1 834 . 1 1 79 79 GLU CB C 13 34.0 0.1 . 1 . . . . . . . . 6464 1 835 . 1 1 79 79 GLU HB2 H 1 2.21 0.02 . 2 . . . . . . . . 6464 1 836 . 1 1 79 79 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 6464 1 837 . 1 1 79 79 GLU CG C 13 35.4 0.1 . 1 . . . . . . . . 6464 1 838 . 1 1 79 79 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 6464 1 839 . 1 1 79 79 GLU HG3 H 1 2.21 0.02 . 1 . . . . . . . . 6464 1 840 . 1 1 79 79 GLU C C 13 174.3 0.1 . 1 . . . . . . . . 6464 1 841 . 1 1 80 80 ASP N N 15 121.6 0.1 . 1 . . . . . . . . 6464 1 842 . 1 1 80 80 ASP H H 1 8.70 0.02 . 1 . . . . . . . . 6464 1 843 . 1 1 80 80 ASP CA C 13 57.2 0.1 . 1 . . . . . . . . 6464 1 844 . 1 1 80 80 ASP HA H 1 4.88 0.02 . 1 . . . . . . . . 6464 1 845 . 1 1 80 80 ASP CB C 13 41.0 0.1 . 1 . . . . . . . . 6464 1 846 . 1 1 80 80 ASP HB2 H 1 2.74 0.02 . 1 . . . . . . . . 6464 1 847 . 1 1 80 80 ASP HB3 H 1 2.74 0.02 . 1 . . . . . . . . 6464 1 848 . 1 1 80 80 ASP C C 13 177.0 0.1 . 1 . . . . . . . . 6464 1 849 . 1 1 81 81 GLY N N 15 111.7 0.1 . 1 . . . . . . . . 6464 1 850 . 1 1 81 81 GLY H H 1 8.87 0.02 . 1 . . . . . . . . 6464 1 851 . 1 1 81 81 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 6464 1 852 . 1 1 81 81 GLY HA2 H 1 4.60 0.02 . 2 . . . . . . . . 6464 1 853 . 1 1 81 81 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 6464 1 854 . 1 1 81 81 GLY C C 13 174.8 0.1 . 1 . . . . . . . . 6464 1 855 . 1 1 82 82 LYS N N 15 116.9 0.1 . 1 . . . . . . . . 6464 1 856 . 1 1 82 82 LYS H H 1 7.55 0.02 . 1 . . . . . . . . 6464 1 857 . 1 1 82 82 LYS CA C 13 55.4 0.1 . 1 . . . . . . . . 6464 1 858 . 1 1 82 82 LYS HA H 1 5.07 0.02 . 1 . . . . . . . . 6464 1 859 . 1 1 82 82 LYS CB C 13 34.4 0.1 . 1 . . . . . . . . 6464 1 860 . 1 1 82 82 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . 6464 1 861 . 1 1 82 82 LYS HB3 H 1 1.89 0.02 . 1 . . . . . . . . 6464 1 862 . 1 1 82 82 LYS CG C 13 26.7 0.1 . 1 . . . . . . . . 6464 1 863 . 1 1 82 82 LYS HG2 H 1 1.59 0.02 . 1 . . . . . . . . 6464 1 864 . 1 1 82 82 LYS HG3 H 1 1.59 0.02 . 1 . . . . . . . . 6464 1 865 . 1 1 82 82 LYS C C 13 175.9 0.1 . 1 . . . . . . . . 6464 1 866 . 1 1 83 83 TYR N N 15 121.5 0.1 . 1 . . . . . . . . 6464 1 867 . 1 1 83 83 TYR H H 1 9.19 0.02 . 1 . . . . . . . . 6464 1 868 . 1 1 83 83 TYR CA C 13 58.1 0.1 . 1 . . . . . . . . 6464 1 869 . 1 1 83 83 TYR HA H 1 4.81 0.02 . 1 . . . . . . . . 6464 1 870 . 1 1 83 83 TYR CB C 13 41.6 0.1 . 1 . . . . . . . . 6464 1 871 . 1 1 83 83 TYR HB2 H 1 2.80 0.02 . 2 . . . . . . . . 6464 1 872 . 1 1 83 83 TYR HB3 H 1 2.56 0.02 . 2 . . . . . . . . 6464 1 873 . 1 1 83 83 TYR C C 13 173.8 0.1 . 1 . . . . . . . . 6464 1 874 . 1 1 84 84 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 6464 1 875 . 1 1 84 84 LEU H H 1 8.72 0.02 . 1 . . . . . . . . 6464 1 876 . 1 1 84 84 LEU CA C 13 53.9 0.1 . 1 . . . . . . . . 6464 1 877 . 1 1 84 84 LEU HA H 1 5.16 0.02 . 1 . . . . . . . . 6464 1 878 . 1 1 84 84 LEU CB C 13 45.7 0.1 . 1 . . . . . . . . 6464 1 879 . 1 1 84 84 LEU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 6464 1 880 . 1 1 84 84 LEU HB3 H 1 1.24 0.02 . 2 . . . . . . . . 6464 1 881 . 1 1 84 84 LEU CG C 13 27.9 0.1 . 1 . . . . . . . . 6464 1 882 . 1 1 84 84 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 6464 1 883 . 1 1 84 84 LEU HD11 H 1 1.28 0.02 . 2 . . . . . . . . 6464 1 884 . 1 1 84 84 LEU HD12 H 1 1.28 0.02 . 2 . . . . . . . . 6464 1 885 . 1 1 84 84 LEU HD13 H 1 1.28 0.02 . 2 . . . . . . . . 6464 1 886 . 1 1 84 84 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 6464 1 887 . 1 1 84 84 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 6464 1 888 . 1 1 84 84 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 6464 1 889 . 1 1 84 84 LEU CD1 C 13 26.7 0.1 . 1 . . . . . . . . 6464 1 890 . 1 1 84 84 LEU CD2 C 13 25.7 0.1 . 1 . . . . . . . . 6464 1 891 . 1 1 84 84 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 6464 1 892 . 1 1 85 85 GLN N N 15 124.2 0.1 . 1 . . . . . . . . 6464 1 893 . 1 1 85 85 GLN H H 1 9.26 0.02 . 1 . . . . . . . . 6464 1 894 . 1 1 85 85 GLN CA C 13 54.6 0.1 . 1 . . . . . . . . 6464 1 895 . 1 1 85 85 GLN HA H 1 5.12 0.02 . 1 . . . . . . . . 6464 1 896 . 1 1 85 85 GLN HB2 H 1 2.47 0.02 . 2 . . . . . . . . 6464 1 897 . 1 1 85 85 GLN HB3 H 1 1.97 0.02 . 2 . . . . . . . . 6464 1 898 . 1 1 85 85 GLN CG C 13 33.3 0.1 . 1 . . . . . . . . 6464 1 899 . 1 1 85 85 GLN HG2 H 1 2.27 0.02 . 2 . . . . . . . . 6464 1 900 . 1 1 85 85 GLN HG3 H 1 2.07 0.02 . 2 . . . . . . . . 6464 1 901 . 1 1 85 85 GLN NE2 N 15 111.4 0.1 . 1 . . . . . . . . 6464 1 902 . 1 1 85 85 GLN HE21 H 1 7.32 0.02 . 2 . . . . . . . . 6464 1 903 . 1 1 85 85 GLN HE22 H 1 6.83 0.02 . 2 . . . . . . . . 6464 1 904 . 1 1 85 85 GLN C C 13 173.1 0.1 . 1 . . . . . . . . 6464 1 905 . 1 1 86 86 PHE N N 15 126.5 0.1 . 1 . . . . . . . . 6464 1 906 . 1 1 86 86 PHE H H 1 8.82 0.02 . 1 . . . . . . . . 6464 1 907 . 1 1 86 86 PHE CA C 13 56.8 0.1 . 1 . . . . . . . . 6464 1 908 . 1 1 86 86 PHE HA H 1 4.96 0.02 . 1 . . . . . . . . 6464 1 909 . 1 1 86 86 PHE CB C 13 41.2 0.1 . 1 . . . . . . . . 6464 1 910 . 1 1 86 86 PHE HB2 H 1 2.18 0.02 . 2 . . . . . . . . 6464 1 911 . 1 1 86 86 PHE HB3 H 1 1.47 0.02 . 2 . . . . . . . . 6464 1 912 . 1 1 86 86 PHE C C 13 175.3 0.1 . 1 . . . . . . . . 6464 1 913 . 1 1 87 87 ILE N N 15 122.7 0.1 . 1 . . . . . . . . 6464 1 914 . 1 1 87 87 ILE H H 1 9.62 0.02 . 1 . . . . . . . . 6464 1 915 . 1 1 87 87 ILE CA C 13 62.0 0.1 . 1 . . . . . . . . 6464 1 916 . 1 1 87 87 ILE HA H 1 4.75 0.02 . 1 . . . . . . . . 6464 1 917 . 1 1 87 87 ILE CB C 13 40.0 0.1 . 1 . . . . . . . . 6464 1 918 . 1 1 87 87 ILE HB H 1 2.14 0.02 . 1 . . . . . . . . 6464 1 919 . 1 1 87 87 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 6464 1 920 . 1 1 87 87 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 6464 1 921 . 1 1 87 87 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 6464 1 922 . 1 1 87 87 ILE CG2 C 13 18.6 0.1 . 1 . . . . . . . . 6464 1 923 . 1 1 87 87 ILE CG1 C 13 27.9 0.1 . 1 . . . . . . . . 6464 1 924 . 1 1 87 87 ILE HG12 H 1 1.57 0.02 . 2 . . . . . . . . 6464 1 925 . 1 1 87 87 ILE HG13 H 1 1.06 0.02 . 2 . . . . . . . . 6464 1 926 . 1 1 87 87 ILE HD11 H 1 0.89 0.02 . 1 . . . . . . . . 6464 1 927 . 1 1 87 87 ILE HD12 H 1 0.89 0.02 . 1 . . . . . . . . 6464 1 928 . 1 1 87 87 ILE HD13 H 1 0.89 0.02 . 1 . . . . . . . . 6464 1 929 . 1 1 87 87 ILE CD1 C 13 14.4 0.1 . 1 . . . . . . . . 6464 1 930 . 1 1 87 87 ILE C C 13 175.7 0.1 . 1 . . . . . . . . 6464 1 931 . 1 1 88 88 TYR N N 15 129.7 0.1 . 1 . . . . . . . . 6464 1 932 . 1 1 88 88 TYR H H 1 9.61 0.02 . 1 . . . . . . . . 6464 1 933 . 1 1 88 88 TYR CA C 13 54.5 0.1 . 1 . . . . . . . . 6464 1 934 . 1 1 88 88 TYR HA H 1 5.50 0.02 . 1 . . . . . . . . 6464 1 935 . 1 1 88 88 TYR CB C 13 43.7 0.1 . 1 . . . . . . . . 6464 1 936 . 1 1 88 88 TYR HB2 H 1 3.30 0.02 . 2 . . . . . . . . 6464 1 937 . 1 1 88 88 TYR HB3 H 1 3.15 0.02 . 2 . . . . . . . . 6464 1 938 . 1 1 88 88 TYR C C 13 174.6 0.1 . 1 . . . . . . . . 6464 1 939 . 1 1 89 89 ASP N N 15 126.4 0.1 . 1 . . . . . . . . 6464 1 940 . 1 1 89 89 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 6464 1 941 . 1 1 90 90 ARG CA C 13 59.3 0.1 . 1 . . . . . . . . 6464 1 942 . 1 1 90 90 ARG HA H 1 3.03 0.02 . 1 . . . . . . . . 6464 1 943 . 1 1 90 90 ARG CB C 13 26.6 0.1 . 1 . . . . . . . . 6464 1 944 . 1 1 90 90 ARG HB2 H 1 2.09 0.02 . 1 . . . . . . . . 6464 1 945 . 1 1 90 90 ARG HB3 H 1 2.09 0.02 . 1 . . . . . . . . 6464 1 946 . 1 1 90 90 ARG CG C 13 28.6 0.1 . 1 . . . . . . . . 6464 1 947 . 1 1 90 90 ARG HG2 H 1 1.37 0.02 . 2 . . . . . . . . 6464 1 948 . 1 1 90 90 ARG HG3 H 1 1.14 0.02 . 2 . . . . . . . . 6464 1 949 . 1 1 90 90 ARG CD C 13 43.5 0.1 . 1 . . . . . . . . 6464 1 950 . 1 1 90 90 ARG HD2 H 1 3.23 0.02 . 2 . . . . . . . . 6464 1 951 . 1 1 90 90 ARG HD3 H 1 2.97 0.02 . 2 . . . . . . . . 6464 1 952 . 1 1 90 90 ARG C C 13 173.9 0.1 . 1 . . . . . . . . 6464 1 953 . 1 1 91 91 ASP N N 15 119.6 0.1 . 1 . . . . . . . . 6464 1 954 . 1 1 91 91 ASP H H 1 8.08 0.02 . 1 . . . . . . . . 6464 1 955 . 1 1 91 91 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 6464 1 956 . 1 1 91 91 ASP HA H 1 4.92 0.02 . 1 . . . . . . . . 6464 1 957 . 1 1 91 91 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . 6464 1 958 . 1 1 91 91 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 6464 1 959 . 1 1 91 91 ASP HB3 H 1 2.39 0.02 . 2 . . . . . . . . 6464 1 960 . 1 1 91 91 ASP C C 13 175.9 0.1 . 1 . . . . . . . . 6464 1 961 . 1 1 92 92 ARG N N 15 122.0 0.1 . 1 . . . . . . . . 6464 1 962 . 1 1 92 92 ARG H H 1 9.26 0.02 . 1 . . . . . . . . 6464 1 963 . 1 1 92 92 ARG CA C 13 55.4 0.1 . 1 . . . . . . . . 6464 1 964 . 1 1 92 92 ARG HA H 1 5.25 0.02 . 1 . . . . . . . . 6464 1 965 . 1 1 92 92 ARG CB C 13 30.7 0.1 . 1 . . . . . . . . 6464 1 966 . 1 1 92 92 ARG HB2 H 1 2.52 0.02 . 2 . . . . . . . . 6464 1 967 . 1 1 92 92 ARG HB3 H 1 1.84 0.02 . 2 . . . . . . . . 6464 1 968 . 1 1 92 92 ARG CG C 13 26.0 0.1 . 1 . . . . . . . . 6464 1 969 . 1 1 92 92 ARG HG2 H 1 1.59 0.02 . 1 . . . . . . . . 6464 1 970 . 1 1 92 92 ARG HG3 H 1 1.59 0.02 . 1 . . . . . . . . 6464 1 971 . 1 1 92 92 ARG CD C 13 43.8 0.1 . 1 . . . . . . . . 6464 1 972 . 1 1 92 92 ARG HD2 H 1 3.42 0.02 . 2 . . . . . . . . 6464 1 973 . 1 1 92 92 ARG HD3 H 1 3.18 0.02 . 2 . . . . . . . . 6464 1 974 . 1 1 92 92 ARG NE N 15 117.0 0.1 . 1 . . . . . . . . 6464 1 975 . 1 1 92 92 ARG HE H 1 6.99 0.02 . 1 . . . . . . . . 6464 1 976 . 1 1 92 92 ARG C C 13 173.2 0.1 . 1 . . . . . . . . 6464 1 977 . 1 1 93 93 THR N N 15 118.6 0.1 . 1 . . . . . . . . 6464 1 978 . 1 1 93 93 THR H H 1 8.46 0.02 . 1 . . . . . . . . 6464 1 979 . 1 1 93 93 THR CA C 13 63.7 0.1 . 1 . . . . . . . . 6464 1 980 . 1 1 93 93 THR HA H 1 5.38 0.02 . 1 . . . . . . . . 6464 1 981 . 1 1 93 93 THR CB C 13 70.7 0.1 . 1 . . . . . . . . 6464 1 982 . 1 1 93 93 THR HB H 1 3.93 0.02 . 1 . . . . . . . . 6464 1 983 . 1 1 93 93 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 6464 1 984 . 1 1 93 93 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 6464 1 985 . 1 1 93 93 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 6464 1 986 . 1 1 93 93 THR CG2 C 13 21.8 0.1 . 1 . . . . . . . . 6464 1 987 . 1 1 93 93 THR C C 13 173.4 0.1 . 1 . . . . . . . . 6464 1 988 . 1 1 94 94 PHE N N 15 124.4 0.1 . 1 . . . . . . . . 6464 1 989 . 1 1 94 94 PHE H H 1 9.51 0.02 . 1 . . . . . . . . 6464 1 990 . 1 1 94 94 PHE CA C 13 56.2 0.1 . 1 . . . . . . . . 6464 1 991 . 1 1 94 94 PHE HA H 1 5.86 0.02 . 1 . . . . . . . . 6464 1 992 . 1 1 94 94 PHE CB C 13 42.8 0.1 . 1 . . . . . . . . 6464 1 993 . 1 1 94 94 PHE HB2 H 1 3.08 0.02 . 2 . . . . . . . . 6464 1 994 . 1 1 94 94 PHE HB3 H 1 2.81 0.02 . 2 . . . . . . . . 6464 1 995 . 1 1 94 94 PHE C C 13 175.5 0.1 . 1 . . . . . . . . 6464 1 996 . 1 1 95 95 TYR N N 15 122.8 0.1 . 1 . . . . . . . . 6464 1 997 . 1 1 95 95 TYR H H 1 9.57 0.02 . 1 . . . . . . . . 6464 1 998 . 1 1 95 95 TYR CA C 13 57.8 0.1 . 1 . . . . . . . . 6464 1 999 . 1 1 95 95 TYR HA H 1 5.29 0.02 . 1 . . . . . . . . 6464 1 1000 . 1 1 95 95 TYR CB C 13 40.3 0.1 . 1 . . . . . . . . 6464 1 1001 . 1 1 95 95 TYR HB2 H 1 2.91 0.02 . 2 . . . . . . . . 6464 1 1002 . 1 1 95 95 TYR HB3 H 1 2.77 0.02 . 2 . . . . . . . . 6464 1 1003 . 1 1 95 95 TYR C C 13 176.0 0.1 . 1 . . . . . . . . 6464 1 1004 . 1 1 96 96 VAL N N 15 122.1 0.1 . 1 . . . . . . . . 6464 1 1005 . 1 1 96 96 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 6464 1 1006 . 1 1 96 96 VAL CA C 13 60.3 0.1 . 1 . . . . . . . . 6464 1 1007 . 1 1 96 96 VAL HA H 1 5.04 0.02 . 1 . . . . . . . . 6464 1 1008 . 1 1 96 96 VAL CB C 13 34.1 0.1 . 1 . . . . . . . . 6464 1 1009 . 1 1 96 96 VAL HB H 1 1.62 0.02 . 1 . . . . . . . . 6464 1 1010 . 1 1 96 96 VAL HG21 H 1 0.25 0.02 . 2 . . . . . . . . 6464 1 1011 . 1 1 96 96 VAL HG22 H 1 0.25 0.02 . 2 . . . . . . . . 6464 1 1012 . 1 1 96 96 VAL HG23 H 1 0.25 0.02 . 2 . . . . . . . . 6464 1 1013 . 1 1 96 96 VAL CG2 C 13 21.8 0.1 . 1 . . . . . . . . 6464 1 1014 . 1 1 96 96 VAL C C 13 175.1 0.1 . 1 . . . . . . . . 6464 1 1015 . 1 1 97 97 ILE N N 15 128.4 0.1 . 1 . . . . . . . . 6464 1 1016 . 1 1 97 97 ILE H H 1 9.01 0.02 . 1 . . . . . . . . 6464 1 1017 . 1 1 97 97 ILE CA C 13 61.0 0.1 . 1 . . . . . . . . 6464 1 1018 . 1 1 97 97 ILE HA H 1 4.14 0.02 . 1 . . . . . . . . 6464 1 1019 . 1 1 97 97 ILE CB C 13 40.8 0.1 . 1 . . . . . . . . 6464 1 1020 . 1 1 97 97 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 6464 1 1021 . 1 1 97 97 ILE HG21 H 1 0.54 0.02 . 1 . . . . . . . . 6464 1 1022 . 1 1 97 97 ILE HG22 H 1 0.54 0.02 . 1 . . . . . . . . 6464 1 1023 . 1 1 97 97 ILE HG23 H 1 0.54 0.02 . 1 . . . . . . . . 6464 1 1024 . 1 1 97 97 ILE CG2 C 13 18.3 0.1 . 1 . . . . . . . . 6464 1 1025 . 1 1 97 97 ILE CG1 C 13 28.6 0.1 . 1 . . . . . . . . 6464 1 1026 . 1 1 97 97 ILE HG12 H 1 1.49 0.02 . 2 . . . . . . . . 6464 1 1027 . 1 1 97 97 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 6464 1 1028 . 1 1 97 97 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 6464 1 1029 . 1 1 97 97 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 6464 1 1030 . 1 1 97 97 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 6464 1 1031 . 1 1 97 97 ILE CD1 C 13 14.1 0.1 . 1 . . . . . . . . 6464 1 1032 . 1 1 97 97 ILE C C 13 174.2 0.1 . 1 . . . . . . . . 6464 1 1033 . 1 1 98 98 ILE N N 15 126.7 0.1 . 1 . . . . . . . . 6464 1 1034 . 1 1 98 98 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 6464 1 1035 . 1 1 98 98 ILE CA C 13 60.6 0.1 . 1 . . . . . . . . 6464 1 1036 . 1 1 98 98 ILE HA H 1 4.67 0.02 . 1 . . . . . . . . 6464 1 1037 . 1 1 98 98 ILE CB C 13 39.6 0.1 . 1 . . . . . . . . 6464 1 1038 . 1 1 98 98 ILE HB H 1 1.62 0.02 . 1 . . . . . . . . 6464 1 1039 . 1 1 98 98 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 6464 1 1040 . 1 1 98 98 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 6464 1 1041 . 1 1 98 98 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 6464 1 1042 . 1 1 98 98 ILE CG2 C 13 18.6 0.1 . 1 . . . . . . . . 6464 1 1043 . 1 1 98 98 ILE CG1 C 13 27.9 0.1 . 1 . . . . . . . . 6464 1 1044 . 1 1 98 98 ILE HG12 H 1 0.73 0.02 . 1 . . . . . . . . 6464 1 1045 . 1 1 98 98 ILE HG13 H 1 0.73 0.02 . 1 . . . . . . . . 6464 1 1046 . 1 1 98 98 ILE HD11 H 1 0.63 0.02 . 1 . . . . . . . . 6464 1 1047 . 1 1 98 98 ILE HD12 H 1 0.63 0.02 . 1 . . . . . . . . 6464 1 1048 . 1 1 98 98 ILE HD13 H 1 0.63 0.02 . 1 . . . . . . . . 6464 1 1049 . 1 1 98 98 ILE CD1 C 13 14.7 0.1 . 1 . . . . . . . . 6464 1 1050 . 1 1 98 98 ILE C C 13 179.3 0.1 . 1 . . . . . . . . 6464 1 1051 . 1 1 99 99 TYR N N 15 127.4 0.1 . 1 . . . . . . . . 6464 1 1052 . 1 1 99 99 TYR H H 1 9.41 0.02 . 1 . . . . . . . . 6464 1 1053 . 1 1 99 99 TYR CA C 13 57.2 0.1 . 1 . . . . . . . . 6464 1 1054 . 1 1 99 99 TYR HA H 1 4.90 0.02 . 1 . . . . . . . . 6464 1 1055 . 1 1 99 99 TYR CB C 13 41.2 0.1 . 1 . . . . . . . . 6464 1 1056 . 1 1 99 99 TYR HB2 H 1 3.02 0.02 . 2 . . . . . . . . 6464 1 1057 . 1 1 99 99 TYR HB3 H 1 2.72 0.02 . 2 . . . . . . . . 6464 1 1058 . 1 1 99 99 TYR C C 13 175.7 0.1 . 1 . . . . . . . . 6464 1 1059 . 1 1 100 100 GLY N N 15 108.4 0.1 . 1 . . . . . . . . 6464 1 1060 . 1 1 100 100 GLY H H 1 8.69 0.02 . 1 . . . . . . . . 6464 1 1061 . 1 1 100 100 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 6464 1 1062 . 1 1 100 100 GLY HA2 H 1 4.43 0.02 . 2 . . . . . . . . 6464 1 1063 . 1 1 100 100 GLY HA3 H 1 4.04 0.02 . 2 . . . . . . . . 6464 1 1064 . 1 1 101 101 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 6464 1 1065 . 1 1 101 101 HIS CB C 13 31.0 0.1 . 1 . . . . . . . . 6464 1 1066 . 1 1 101 101 HIS HB2 H 1 3.16 0.02 . 1 . . . . . . . . 6464 1 1067 . 1 1 101 101 HIS HB3 H 1 3.16 0.02 . 1 . . . . . . . . 6464 1 1068 . 1 1 102 102 ASN CA C 13 53.5 0.1 . 1 . . . . . . . . 6464 1 1069 . 1 1 102 102 ASN HA H 1 4.48 0.02 . 1 . . . . . . . . 6464 1 1070 . 1 1 102 102 ASN CB C 13 38.8 0.1 . 1 . . . . . . . . 6464 1 1071 . 1 1 102 102 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 6464 1 1072 . 1 1 102 102 ASN HB3 H 1 2.60 0.02 . 2 . . . . . . . . 6464 1 1073 . 1 1 102 102 ASN C C 13 174.3 0.1 . 1 . . . . . . . . 6464 1 1074 . 1 1 103 103 MET N N 15 126.2 0.1 . 1 . . . . . . . . 6464 1 1075 . 1 1 103 103 MET H H 1 7.82 0.02 . 1 . . . . . . . . 6464 1 1076 . 1 1 103 103 MET CA C 13 57.1 0.1 . 1 . . . . . . . . 6464 1 1077 . 1 1 103 103 MET HA H 1 3.87 0.02 . 1 . . . . . . . . 6464 1 1078 . 1 1 103 103 MET CB C 13 32.8 0.1 . 1 . . . . . . . . 6464 1 1079 . 1 1 103 103 MET HB2 H 1 2.21 0.02 . 2 . . . . . . . . 6464 1 1080 . 1 1 103 103 MET HB3 H 1 2.14 0.02 . 2 . . . . . . . . 6464 1 1081 . 1 1 103 103 MET CG C 13 31.8 0.1 . 1 . . . . . . . . 6464 1 1082 . 1 1 103 103 MET HG2 H 1 2.65 0.02 . 1 . . . . . . . . 6464 1 1083 . 1 1 103 103 MET HG3 H 1 2.65 0.02 . 1 . . . . . . . . 6464 1 stop_ save_