data_16921 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16921 _Entry.Title ; 1H, 13C, 15N chemical shifts for the bacterial cell division regulator MinE. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-11 _Entry.Accession_date 2010-05-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Thierry Ducat . . . 16921 2 Natalie Goto . K. . 16921 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16921 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 16921 '15N chemical shifts' 95 16921 '1H chemical shifts' 640 16921 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 . . 2010-10-05 2010-05-11 update BMRB 'Update entry citation' 16921 1 . . 2010-07-26 2010-05-11 original author 'original release' 16921 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16921 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20623208 _Citation.Full_citation . _Citation.Title '1H, 13C, 15N chemical shift assignments for the Neisseria gonorrhoeae MinE regulator of cell division septum placement.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 227 _Citation.Page_last 229 _Citation.Year 2010 _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 Thierry Ducat . . . 16921 1 2 Natalie Goto . K. . 16921 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacterial cell division' 16921 1 MinE 16921 1 'Neisseria gonorrhoeae' 16921 1 'topological specificity' 16921 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16921 _Assembly.ID 1 _Assembly.Name 'MinE dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'MinE, chain 1' 1 $MinE A . yes native no no 1 . . 16921 1 2 'MinE, chain 2' 1 $MinE B . yes native no no 1 . . 16921 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 16921 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MinE _Entity.Sf_category entity _Entity.Sf_framecode MinE _Entity.Entry_ID 16921 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MinE _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 ; MSLIELLFGRKQKTATVARD RLQIIIAQERAQEGQTPDYL PTLRKALMEVLSKYVNVSLD NIRISQEKQDGMDVLELNIT LPEQKKVLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Two non-native residues (introduced from sub-cloning) plus 6 histidine residues (for purification) included at the C-terminus of the MinE sequence from N. gonorrhoeae.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation E46A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11048 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KXO . "Solution Nmr Structure Of The Cell Division Regulator Mine Protein From Neisseria Gonorrhoeae" . . . . . 100.00 95 100.00 100.00 3.64e-61 . . . . 16921 1 2 no EMBL CAM07417 . "putative cell division topological specificity factor [Neisseria meningitidis Z2491]" . . . . . 91.58 87 97.70 97.70 5.94e-53 . . . . 16921 1 3 no EMBL CEZ97582 . "cell division topological specificity factor MinE [Neisseria gonorrhoeae]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 4 no EMBL CFA84494 . "cell division topological specificity factor MinE [Neisseria gonorrhoeae]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 5 no EMBL CFB79676 . "cell division topological specificity factor MinE [Neisseria gonorrhoeae]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 6 no EMBL CFC32949 . "cell division topological specificity factor MinE [Neisseria gonorrhoeae]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 7 no GB AAK30127 . "MinE [Neisseria gonorrhoeae]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 8 no GB AAW90432 . "cell division topological specificity factor MinE [Neisseria gonorrhoeae FA 1090]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 9 no GB ACF31058 . "MinE [Neisseria gonorrhoeae NCCP11945]" . . . . . 89.47 85 97.65 98.82 1.75e-51 . . . . 16921 1 10 no GB AKP11296 . "Cell division topological specificity factor [Neisseria gonorrhoeae]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 11 no GB AKP13283 . "Cell division topological specificity factor [Neisseria gonorrhoeae]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 12 no REF WP_002246740 . "cell division topological specificity factor [Neisseria meningitidis]" . . . . . 91.58 87 97.70 97.70 5.94e-53 . . . . 16921 1 13 no REF WP_003690052 . "cell division topological specificity factor [Neisseria gonorrhoeae]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 14 no REF WP_003749826 . "MULTISPECIES: cell division topological specificity factor [Neisseria]" . . . . . 91.58 87 97.70 97.70 1.09e-52 . . . . 16921 1 15 no REF YP_208844 . "cell division topological specificity factor MinE [Neisseria gonorrhoeae FA 1090]" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 16 no SP P58152 . "RecName: Full=Cell division topological specificity factor" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 17 no SP Q5F5V5 . "RecName: Full=Cell division topological specificity factor" . . . . . 91.58 87 98.85 98.85 1.94e-53 . . . . 16921 1 18 no SP Q9JX18 . "RecName: Full=Cell division topological specificity factor" . . . . . 91.58 87 97.70 97.70 5.94e-53 . . . . 16921 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'activator for MinD ATPase' 16921 1 'regulator of bacterial cell division' 16921 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 . MET . 16921 1 2 . SER . 16921 1 3 . LEU . 16921 1 4 . ILE . 16921 1 5 . GLU . 16921 1 6 . LEU . 16921 1 7 . LEU . 16921 1 8 . PHE . 16921 1 9 . GLY . 16921 1 10 . ARG . 16921 1 11 . LYS . 16921 1 12 . GLN . 16921 1 13 . LYS . 16921 1 14 . THR . 16921 1 15 . ALA . 16921 1 16 . THR . 16921 1 17 . VAL . 16921 1 18 . ALA . 16921 1 19 . ARG . 16921 1 20 . ASP . 16921 1 21 . ARG . 16921 1 22 . LEU . 16921 1 23 . GLN . 16921 1 24 . ILE . 16921 1 25 . ILE . 16921 1 26 . ILE . 16921 1 27 . ALA . 16921 1 28 . GLN . 16921 1 29 . GLU . 16921 1 30 . ARG . 16921 1 31 . ALA . 16921 1 32 . GLN . 16921 1 33 . GLU . 16921 1 34 . GLY . 16921 1 35 . GLN . 16921 1 36 . THR . 16921 1 37 . PRO . 16921 1 38 . ASP . 16921 1 39 . TYR . 16921 1 40 . LEU . 16921 1 41 . PRO . 16921 1 42 . THR . 16921 1 43 . LEU . 16921 1 44 . ARG . 16921 1 45 . LYS . 16921 1 46 . ALA . 16921 1 47 . LEU . 16921 1 48 . MET . 16921 1 49 . GLU . 16921 1 50 . VAL . 16921 1 51 . LEU . 16921 1 52 . SER . 16921 1 53 . LYS . 16921 1 54 . TYR . 16921 1 55 . VAL . 16921 1 56 . ASN . 16921 1 57 . VAL . 16921 1 58 . SER . 16921 1 59 . LEU . 16921 1 60 . ASP . 16921 1 61 . ASN . 16921 1 62 . ILE . 16921 1 63 . ARG . 16921 1 64 . ILE . 16921 1 65 . SER . 16921 1 66 . GLN . 16921 1 67 . GLU . 16921 1 68 . LYS . 16921 1 69 . GLN . 16921 1 70 . ASP . 16921 1 71 . GLY . 16921 1 72 . MET . 16921 1 73 . ASP . 16921 1 74 . VAL . 16921 1 75 . LEU . 16921 1 76 . GLU . 16921 1 77 . LEU . 16921 1 78 . ASN . 16921 1 79 . ILE . 16921 1 80 . THR . 16921 1 81 . LEU . 16921 1 82 . PRO . 16921 1 83 . GLU . 16921 1 84 . GLN . 16921 1 85 . LYS . 16921 1 86 . LYS . 16921 1 87 . VAL . 16921 1 88 . LEU . 16921 1 89 . GLU . 16921 1 90 . HIS . 16921 1 91 . HIS . 16921 1 92 . HIS . 16921 1 93 . HIS . 16921 1 94 . HIS . 16921 1 95 . HIS . 16921 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16921 1 . SER 2 2 16921 1 . LEU 3 3 16921 1 . ILE 4 4 16921 1 . GLU 5 5 16921 1 . LEU 6 6 16921 1 . LEU 7 7 16921 1 . PHE 8 8 16921 1 . GLY 9 9 16921 1 . ARG 10 10 16921 1 . LYS 11 11 16921 1 . GLN 12 12 16921 1 . LYS 13 13 16921 1 . THR 14 14 16921 1 . ALA 15 15 16921 1 . THR 16 16 16921 1 . VAL 17 17 16921 1 . ALA 18 18 16921 1 . ARG 19 19 16921 1 . ASP 20 20 16921 1 . ARG 21 21 16921 1 . LEU 22 22 16921 1 . GLN 23 23 16921 1 . ILE 24 24 16921 1 . ILE 25 25 16921 1 . ILE 26 26 16921 1 . ALA 27 27 16921 1 . GLN 28 28 16921 1 . GLU 29 29 16921 1 . ARG 30 30 16921 1 . ALA 31 31 16921 1 . GLN 32 32 16921 1 . GLU 33 33 16921 1 . GLY 34 34 16921 1 . GLN 35 35 16921 1 . THR 36 36 16921 1 . PRO 37 37 16921 1 . ASP 38 38 16921 1 . TYR 39 39 16921 1 . LEU 40 40 16921 1 . PRO 41 41 16921 1 . THR 42 42 16921 1 . LEU 43 43 16921 1 . ARG 44 44 16921 1 . LYS 45 45 16921 1 . ALA 46 46 16921 1 . LEU 47 47 16921 1 . MET 48 48 16921 1 . GLU 49 49 16921 1 . VAL 50 50 16921 1 . LEU 51 51 16921 1 . SER 52 52 16921 1 . LYS 53 53 16921 1 . TYR 54 54 16921 1 . VAL 55 55 16921 1 . ASN 56 56 16921 1 . VAL 57 57 16921 1 . SER 58 58 16921 1 . LEU 59 59 16921 1 . ASP 60 60 16921 1 . ASN 61 61 16921 1 . ILE 62 62 16921 1 . ARG 63 63 16921 1 . ILE 64 64 16921 1 . SER 65 65 16921 1 . GLN 66 66 16921 1 . GLU 67 67 16921 1 . LYS 68 68 16921 1 . GLN 69 69 16921 1 . ASP 70 70 16921 1 . GLY 71 71 16921 1 . MET 72 72 16921 1 . ASP 73 73 16921 1 . VAL 74 74 16921 1 . LEU 75 75 16921 1 . GLU 76 76 16921 1 . LEU 77 77 16921 1 . ASN 78 78 16921 1 . ILE 79 79 16921 1 . THR 80 80 16921 1 . LEU 81 81 16921 1 . PRO 82 82 16921 1 . GLU 83 83 16921 1 . GLN 84 84 16921 1 . LYS 85 85 16921 1 . LYS 86 86 16921 1 . VAL 87 87 16921 1 . LEU 88 88 16921 1 . GLU 89 89 16921 1 . HIS 90 90 16921 1 . HIS 91 91 16921 1 . HIS 92 92 16921 1 . HIS 93 93 16921 1 . HIS 94 94 16921 1 . HIS 95 95 16921 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 16921 _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 $MinE . 485 organism . 'Neisseria gonorrhoeae' 'Neisseria gonorrhoeae' . . Bacteria . Neisseria gonorrhoeae . . . . . . . . . . . . . . . . . . . . . 16921 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 16921 _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 $MinE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pEE46A . . . 'E46A mutant made from pEC1.' . . 16921 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16921 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _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 MinE '[U-100% 13C; U-100% 15N]' . . 1 $MinE . . . 0.8 1.0 mM . . . . 16921 1 2 'sodium chloride' 'natural abundance' . . . . . . 45 . . mM . . . . 16921 1 3 TRIS 'natural abundance' . . . . . . 22.5 . . mM . . . . 16921 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16921 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16921 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16921 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '100% D2O' _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 MinE '[U-100% 13C; U-100% 15N]' . . 1 $MinE . . 0.6 . . mM . . . . 16921 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16921 2 3 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 16921 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16921 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16921 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'H2O/D2O sample' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.045 . M 16921 1 pH 7.2 . pH 16921 1 pressure 1 . atm 16921 1 temperature 298 . K 16921 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16921 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'D2O sample' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 16921 2 pH 7.2 . pH 16921 2 pressure 1 . atm 16921 2 temperature 298 . K 16921 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16921 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16921 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16921 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16921 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16921 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16921 2 'chemical shift calculation' 16921 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16921 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'University of Ottawa NMR Facility' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16921 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Quebec/Eastern Ontario High Field NMR Facility with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16921 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Quebec/Eastern Ontario High Field NMR Facility with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16921 _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 spectrometer_1 Varian INOVA . 500 'University of Ottawa NMR Facility' . . 16921 1 2 spectrometer_2 Varian INOVA . 500 'Quebec/Eastern Ontario High Field NMR Facility with cryoprobe' . . 16921 1 3 spectrometer_3 Varian INOVA . 800 'Quebec/Eastern Ontario High Field NMR Facility with cryoprobe' . . 16921 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 16921 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16921 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16921 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16921 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16921 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16921 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16921 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16921 1 8 '3D 1H-15N TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16921 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16921 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16921 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16921 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16921 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16921 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16921 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16921 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 16921 1 2 '3D HNCACB' . . . 16921 1 3 '3D HNCA' . . . 16921 1 4 '3D CBCA(CO)NH' . . . 16921 1 5 '3D HNCO' . . . 16921 1 6 '3D HCCH-COSY' . . . 16921 1 7 '3D HCCH-TOCSY' . . . 16921 1 8 '3D 1H-15N TOCSY-HSQC' . . . 16921 1 9 '3D CCH-TOCSY' . . . 16921 1 10 '2D 1H-13C HSQC' . . . 16921 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 16921 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.9390 0.02 . 1 . . . . 1 MET HA . 16921 1 2 . 1 1 1 1 MET HB2 H 1 1.9940 0.02 . 2 . . . . 1 MET HB1 . 16921 1 3 . 1 1 1 1 MET HB3 H 1 1.9940 0.02 . 2 . . . . 1 MET HB2 . 16921 1 4 . 1 1 1 1 MET HE1 H 1 2.0280 0.02 . 1 . . . . 1 MET HE1 . 16921 1 5 . 1 1 1 1 MET HE2 H 1 2.0280 0.02 . 1 . . . . 1 MET HE1 . 16921 1 6 . 1 1 1 1 MET HE3 H 1 2.0280 0.02 . 1 . . . . 1 MET HE1 . 16921 1 7 . 1 1 1 1 MET HG2 H 1 2.5830 0.02 . 2 . . . . 1 MET HG1 . 16921 1 8 . 1 1 1 1 MET HG3 H 1 2.5010 0.02 . 2 . . . . 1 MET HG2 . 16921 1 9 . 1 1 1 1 MET CA C 13 55.4520 0.20 . 1 . . . . 1 MET CA . 16921 1 10 . 1 1 1 1 MET CB C 13 34.6770 0.20 . 1 . . . . 1 MET CB . 16921 1 11 . 1 1 1 1 MET CE C 13 16.9000 0.20 . 1 . . . . 1 MET CE . 16921 1 12 . 1 1 1 1 MET CG C 13 31.2040 0.20 . 1 . . . . 1 MET CG . 16921 1 13 . 1 1 2 2 SER C C 13 175.9540 0.20 . 1 . . . . 2 SER C . 16921 1 14 . 1 1 2 2 SER CA C 13 57.2280 0.20 . 1 . . . . 2 SER CA . 16921 1 15 . 1 1 2 2 SER CB C 13 64.3750 0.20 . 1 . . . . 2 SER CB . 16921 1 16 . 1 1 3 3 LEU H H 1 9.6250 0.02 . 1 . . . . 3 LEU HN . 16921 1 17 . 1 1 3 3 LEU HA H 1 3.9960 0.02 . 1 . . . . 3 LEU HA . 16921 1 18 . 1 1 3 3 LEU HB2 H 1 1.6230 0.02 . 2 . . . . 3 LEU HB1 . 16921 1 19 . 1 1 3 3 LEU HB3 H 1 1.3730 0.02 . 2 . . . . 3 LEU HB2 . 16921 1 20 . 1 1 3 3 LEU HG H 1 1.6740 0.02 . 1 . . . . 3 LEU HG . 16921 1 21 . 1 1 3 3 LEU C C 13 179.0530 0.20 . 1 . . . . 3 LEU C . 16921 1 22 . 1 1 3 3 LEU CA C 13 58.1110 0.20 . 1 . . . . 3 LEU CA . 16921 1 23 . 1 1 3 3 LEU CB C 13 41.8360 0.20 . 1 . . . . 3 LEU CB . 16921 1 24 . 1 1 3 3 LEU CG C 13 28.7600 0.20 . 1 . . . . 3 LEU CG . 16921 1 25 . 1 1 3 3 LEU N N 15 124.7520 0.20 . 1 . . . . 3 LEU N . 16921 1 26 . 1 1 4 4 ILE H H 1 8.3940 0.02 . 1 . . . . 4 ILE HN . 16921 1 27 . 1 1 4 4 ILE HA H 1 3.6320 0.02 . 1 . . . . 4 ILE HA . 16921 1 28 . 1 1 4 4 ILE HB H 1 1.7390 0.02 . 1 . . . . 4 ILE HB . 16921 1 29 . 1 1 4 4 ILE HD11 H 1 0.7430 0.02 . 1 . . . . 4 ILE HD11 . 16921 1 30 . 1 1 4 4 ILE HD12 H 1 0.7430 0.02 . 1 . . . . 4 ILE HD11 . 16921 1 31 . 1 1 4 4 ILE HD13 H 1 0.7430 0.02 . 1 . . . . 4 ILE HD11 . 16921 1 32 . 1 1 4 4 ILE HG12 H 1 1.1680 0.02 . 1 . . . . 4 ILE HG11 . 16921 1 33 . 1 1 4 4 ILE HG13 H 1 1.6250 0.02 . 2 . . . . 4 ILE HG12 . 16921 1 34 . 1 1 4 4 ILE HG21 H 1 0.8030 0.02 . 1 . . . . 4 ILE HG21 . 16921 1 35 . 1 1 4 4 ILE HG22 H 1 0.8030 0.02 . 1 . . . . 4 ILE HG21 . 16921 1 36 . 1 1 4 4 ILE HG23 H 1 0.8030 0.02 . 1 . . . . 4 ILE HG21 . 16921 1 37 . 1 1 4 4 ILE C C 13 177.6270 0.20 . 1 . . . . 4 ILE C . 16921 1 38 . 1 1 4 4 ILE CA C 13 65.1150 0.20 . 1 . . . . 4 ILE CA . 16921 1 39 . 1 1 4 4 ILE CB C 13 37.2120 0.20 . 1 . . . . 4 ILE CB . 16921 1 40 . 1 1 4 4 ILE CD1 C 13 13.1740 0.20 . 1 . . . . 4 ILE CD1 . 16921 1 41 . 1 1 4 4 ILE CG1 C 13 29.9320 0.20 . 1 . . . . 4 ILE CG1 . 16921 1 42 . 1 1 4 4 ILE CG2 C 13 17.3930 0.20 . 1 . . . . 4 ILE CG2 . 16921 1 43 . 1 1 4 4 ILE N N 15 118.5010 0.20 . 1 . . . . 4 ILE N . 16921 1 44 . 1 1 5 5 GLU H H 1 7.6730 0.02 . 1 . . . . 5 GLU HN . 16921 1 45 . 1 1 5 5 GLU HA H 1 3.9140 0.02 . 1 . . . . 5 GLU HA . 16921 1 46 . 1 1 5 5 GLU HB2 H 1 2.1010 0.02 . 2 . . . . 5 GLU HB1 . 16921 1 47 . 1 1 5 5 GLU HB3 H 1 1.9670 0.02 . 2 . . . . 5 GLU HB2 . 16921 1 48 . 1 1 5 5 GLU HG2 H 1 2.2360 0.02 . 2 . . . . 5 GLU HG1 . 16921 1 49 . 1 1 5 5 GLU HG3 H 1 2.2360 0.02 . 2 . . . . 5 GLU HG2 . 16921 1 50 . 1 1 5 5 GLU C C 13 179.3490 0.20 . 1 . . . . 5 GLU C . 16921 1 51 . 1 1 5 5 GLU CA C 13 59.3110 0.20 . 1 . . . . 5 GLU CA . 16921 1 52 . 1 1 5 5 GLU CB C 13 29.6500 0.20 . 1 . . . . 5 GLU CB . 16921 1 53 . 1 1 5 5 GLU CG C 13 37.0800 0.20 . 1 . . . . 5 GLU CG . 16921 1 54 . 1 1 5 5 GLU N N 15 119.7850 0.20 . 1 . . . . 5 GLU N . 16921 1 55 . 1 1 6 6 LEU H H 1 7.9780 0.02 . 1 . . . . 6 LEU HN . 16921 1 56 . 1 1 6 6 LEU HA H 1 4.0140 0.02 . 1 . . . . 6 LEU HA . 16921 1 57 . 1 1 6 6 LEU HB2 H 1 1.7180 0.02 . 2 . . . . 6 LEU HB1 . 16921 1 58 . 1 1 6 6 LEU HB3 H 1 1.5800 0.02 . 2 . . . . 6 LEU HB2 . 16921 1 59 . 1 1 6 6 LEU C C 13 178.6840 0.20 . 1 . . . . 6 LEU C . 16921 1 60 . 1 1 6 6 LEU CA C 13 57.9310 0.20 . 1 . . . . 6 LEU CA . 16921 1 61 . 1 1 6 6 LEU CB C 13 42.6880 0.20 . 1 . . . . 6 LEU CB . 16921 1 62 . 1 1 6 6 LEU N N 15 120.6140 0.20 . 1 . . . . 6 LEU N . 16921 1 63 . 1 1 7 7 LEU H H 1 8.2110 0.02 . 1 . . . . 7 LEU HN . 16921 1 64 . 1 1 7 7 LEU HA H 1 3.8910 0.02 . 1 . . . . 7 LEU HA . 16921 1 65 . 1 1 7 7 LEU HB2 H 1 1.4720 0.02 . 2 . . . . 7 LEU HB1 . 16921 1 66 . 1 1 7 7 LEU HB3 H 1 0.8680 0.02 . 2 . . . . 7 LEU HB2 . 16921 1 67 . 1 1 7 7 LEU HD11 H 1 0.5700 0.02 . 2 . . . . 7 LEU HD11 . 16921 1 68 . 1 1 7 7 LEU HD12 H 1 0.5700 0.02 . 2 . . . . 7 LEU HD11 . 16921 1 69 . 1 1 7 7 LEU HD13 H 1 0.5700 0.02 . 2 . . . . 7 LEU HD11 . 16921 1 70 . 1 1 7 7 LEU HD21 H 1 0.6030 0.02 . 2 . . . . 7 LEU HD21 . 16921 1 71 . 1 1 7 7 LEU HD22 H 1 0.6030 0.02 . 2 . . . . 7 LEU HD21 . 16921 1 72 . 1 1 7 7 LEU HD23 H 1 0.6030 0.02 . 2 . . . . 7 LEU HD21 . 16921 1 73 . 1 1 7 7 LEU HG H 1 1.5690 0.02 . 1 . . . . 7 LEU HG . 16921 1 74 . 1 1 7 7 LEU C C 13 179.5460 0.20 . 1 . . . . 7 LEU C . 16921 1 75 . 1 1 7 7 LEU CA C 13 56.7860 0.20 . 1 . . . . 7 LEU CA . 16921 1 76 . 1 1 7 7 LEU CB C 13 41.6750 0.20 . 1 . . . . 7 LEU CB . 16921 1 77 . 1 1 7 7 LEU CD1 C 13 22.4500 0.20 . 1 . . . . 7 LEU CD1 . 16921 1 78 . 1 1 7 7 LEU CD2 C 13 25.8500 0.20 . 1 . . . . 7 LEU CD2 . 16921 1 79 . 1 1 7 7 LEU CG C 13 26.8860 0.20 . 1 . . . . 7 LEU CG . 16921 1 80 . 1 1 7 7 LEU N N 15 117.3110 0.20 . 1 . . . . 7 LEU N . 16921 1 81 . 1 1 8 8 PHE H H 1 8.3720 0.02 . 1 . . . . 8 PHE HN . 16921 1 82 . 1 1 8 8 PHE HA H 1 4.5630 0.02 . 1 . . . . 8 PHE HA . 16921 1 83 . 1 1 8 8 PHE HB2 H 1 3.0600 0.02 . 2 . . . . 8 PHE HB1 . 16921 1 84 . 1 1 8 8 PHE HB3 H 1 3.2230 0.02 . 2 . . . . 8 PHE HB2 . 16921 1 85 . 1 1 8 8 PHE HD1 H 1 7.2490 0.02 . 3 . . . . 8 PHE HD1 . 16921 1 86 . 1 1 8 8 PHE HD2 H 1 7.2490 0.02 . 3 . . . . 8 PHE HD2 . 16921 1 87 . 1 1 8 8 PHE HE1 H 1 7.1690 0.02 . 3 . . . . 8 PHE HE1 . 16921 1 88 . 1 1 8 8 PHE HE2 H 1 7.1690 0.02 . 3 . . . . 8 PHE HE2 . 16921 1 89 . 1 1 8 8 PHE HZ H 1 7.2830 0.02 . 1 . . . . 8 PHE HZ . 16921 1 90 . 1 1 8 8 PHE C C 13 177.5910 0.20 . 1 . . . . 8 PHE C . 16921 1 91 . 1 1 8 8 PHE CA C 13 59.0980 0.20 . 1 . . . . 8 PHE CA . 16921 1 92 . 1 1 8 8 PHE CB C 13 39.0980 0.20 . 1 . . . . 8 PHE CB . 16921 1 93 . 1 1 8 8 PHE N N 15 117.7150 0.20 . 1 . . . . 8 PHE N . 16921 1 94 . 1 1 9 9 GLY H H 1 7.9760 0.02 . 1 . . . . 9 GLY HN . 16921 1 95 . 1 1 9 9 GLY HA2 H 1 4.0020 0.02 . 2 . . . . 9 GLY HA1 . 16921 1 96 . 1 1 9 9 GLY HA3 H 1 3.9650 0.02 . 2 . . . . 9 GLY HA2 . 16921 1 97 . 1 1 9 9 GLY C C 13 174.6150 0.20 . 1 . . . . 9 GLY C . 16921 1 98 . 1 1 9 9 GLY CA C 13 46.2090 0.20 . 1 . . . . 9 GLY CA . 16921 1 99 . 1 1 9 9 GLY N N 15 108.2410 0.20 . 1 . . . . 9 GLY N . 16921 1 100 . 1 1 10 10 ARG H H 1 7.8480 0.02 . 1 . . . . 10 ARG HN . 16921 1 101 . 1 1 10 10 ARG HA H 1 4.2850 0.02 . 1 . . . . 10 ARG HA . 16921 1 102 . 1 1 10 10 ARG C C 13 176.0230 0.20 . 1 . . . . 10 ARG C . 16921 1 103 . 1 1 10 10 ARG CA C 13 56.5010 0.20 . 1 . . . . 10 ARG CA . 16921 1 104 . 1 1 10 10 ARG CB C 13 30.4900 0.20 . 1 . . . . 10 ARG CB . 16921 1 105 . 1 1 10 10 ARG N N 15 119.2620 0.20 . 1 . . . . 10 ARG N . 16921 1 106 . 1 1 11 11 LYS H H 1 7.9510 0.02 . 1 . . . . 11 LYS HN . 16921 1 107 . 1 1 11 11 LYS HA H 1 4.2110 0.02 . 1 . . . . 11 LYS HA . 16921 1 108 . 1 1 11 11 LYS CA C 13 56.7440 0.20 . 1 . . . . 11 LYS CA . 16921 1 109 . 1 1 11 11 LYS CB C 13 32.9030 0.20 . 1 . . . . 11 LYS CB . 16921 1 110 . 1 1 11 11 LYS N N 15 121.3410 0.20 . 1 . . . . 11 LYS N . 16921 1 111 . 1 1 12 12 GLN H H 1 8.3370 0.02 . 1 . . . . 12 GLN HN . 16921 1 112 . 1 1 12 12 GLN HA H 1 4.2700 0.02 . 1 . . . . 12 GLN HA . 16921 1 113 . 1 1 12 12 GLN HE21 H 1 7.4960 0.02 . 2 . . . . 12 GLN HE21 . 16921 1 114 . 1 1 12 12 GLN HE22 H 1 6.8570 0.02 . 2 . . . . 12 GLN HE22 . 16921 1 115 . 1 1 12 12 GLN C C 13 176.6870 0.20 . 1 . . . . 12 GLN C . 16921 1 116 . 1 1 12 12 GLN CA C 13 56.1770 0.20 . 1 . . . . 12 GLN CA . 16921 1 117 . 1 1 12 12 GLN CB C 13 29.6060 0.20 . 1 . . . . 12 GLN CB . 16921 1 118 . 1 1 12 12 GLN N N 15 120.8640 0.20 . 1 . . . . 12 GLN N . 16921 1 119 . 1 1 12 12 GLN NE2 N 15 112.6590 0.20 . 1 . . . . 12 GLN NE2 . 16921 1 120 . 1 1 14 14 THR C C 13 174.0540 0.20 . 1 . . . . 14 THR C . 16921 1 121 . 1 1 14 14 THR CA C 13 61.4300 0.20 . 1 . . . . 14 THR CA . 16921 1 122 . 1 1 15 15 ALA H H 1 8.2790 0.02 . 1 . . . . 15 ALA HN . 16921 1 123 . 1 1 15 15 ALA HA H 1 4.3810 0.02 . 1 . . . . 15 ALA HA . 16921 1 124 . 1 1 15 15 ALA HB1 H 1 1.4080 0.02 . 1 . . . . 15 ALA HB1 . 16921 1 125 . 1 1 15 15 ALA HB2 H 1 1.4080 0.02 . 1 . . . . 15 ALA HB1 . 16921 1 126 . 1 1 15 15 ALA HB3 H 1 1.4080 0.02 . 1 . . . . 15 ALA HB1 . 16921 1 127 . 1 1 15 15 ALA C C 13 177.5890 0.20 . 1 . . . . 15 ALA C . 16921 1 128 . 1 1 15 15 ALA CA C 13 52.5800 0.20 . 1 . . . . 15 ALA CA . 16921 1 129 . 1 1 15 15 ALA CB C 13 19.1660 0.20 . 1 . . . . 15 ALA CB . 16921 1 130 . 1 1 15 15 ALA N N 15 125.7760 0.20 . 1 . . . . 15 ALA N . 16921 1 131 . 1 1 16 16 THR H H 1 8.0740 0.02 . 1 . . . . 16 THR HN . 16921 1 132 . 1 1 16 16 THR HA H 1 4.3300 0.02 . 1 . . . . 16 THR HA . 16921 1 133 . 1 1 16 16 THR HB H 1 4.1600 0.02 . 1 . . . . 16 THR HB . 16921 1 134 . 1 1 16 16 THR HG21 H 1 1.1780 0.02 . 1 . . . . 16 THR HG21 . 16921 1 135 . 1 1 16 16 THR HG22 H 1 1.1780 0.02 . 1 . . . . 16 THR HG21 . 16921 1 136 . 1 1 16 16 THR HG23 H 1 1.1780 0.02 . 1 . . . . 16 THR HG21 . 16921 1 137 . 1 1 16 16 THR C C 13 174.3190 0.20 . 1 . . . . 16 THR C . 16921 1 138 . 1 1 16 16 THR CA C 13 61.7970 0.20 . 1 . . . . 16 THR CA . 16921 1 139 . 1 1 16 16 THR CB C 13 69.9650 0.20 . 1 . . . . 16 THR CB . 16921 1 140 . 1 1 16 16 THR CG2 C 13 21.5650 0.20 . 1 . . . . 16 THR CG2 . 16921 1 141 . 1 1 16 16 THR N N 15 113.7490 0.20 . 1 . . . . 16 THR N . 16921 1 142 . 1 1 17 17 VAL H H 1 8.0800 0.02 . 1 . . . . 17 VAL HN . 16921 1 143 . 1 1 17 17 VAL HA H 1 4.1040 0.02 . 1 . . . . 17 VAL HA . 16921 1 144 . 1 1 17 17 VAL HB H 1 2.0390 0.02 . 1 . . . . 17 VAL HB . 16921 1 145 . 1 1 17 17 VAL HG11 H 1 0.9150 0.02 . 2 . . . . 17 VAL HG11 . 16921 1 146 . 1 1 17 17 VAL HG12 H 1 0.9150 0.02 . 2 . . . . 17 VAL HG11 . 16921 1 147 . 1 1 17 17 VAL HG13 H 1 0.9150 0.02 . 2 . . . . 17 VAL HG11 . 16921 1 148 . 1 1 17 17 VAL HG21 H 1 0.9270 0.02 . 2 . . . . 17 VAL HG21 . 16921 1 149 . 1 1 17 17 VAL HG22 H 1 0.9270 0.02 . 2 . . . . 17 VAL HG21 . 16921 1 150 . 1 1 17 17 VAL HG23 H 1 0.9270 0.02 . 2 . . . . 17 VAL HG21 . 16921 1 151 . 1 1 17 17 VAL C C 13 175.4460 0.20 . 1 . . . . 17 VAL C . 16921 1 152 . 1 1 17 17 VAL CA C 13 61.9840 0.20 . 1 . . . . 17 VAL CA . 16921 1 153 . 1 1 17 17 VAL CB C 13 32.8960 0.20 . 1 . . . . 17 VAL CB . 16921 1 154 . 1 1 17 17 VAL CG1 C 13 21.2270 0.20 . 1 . . . . 17 VAL CG1 . 16921 1 155 . 1 1 17 17 VAL CG2 C 13 20.4530 0.20 . 1 . . . . 17 VAL CG2 . 16921 1 156 . 1 1 17 17 VAL N N 15 122.3890 0.20 . 1 . . . . 17 VAL N . 16921 1 157 . 1 1 18 18 ALA H H 1 8.4540 0.02 . 1 . . . . 18 ALA HN . 16921 1 158 . 1 1 18 18 ALA HA H 1 4.3520 0.02 . 1 . . . . 18 ALA HA . 16921 1 159 . 1 1 18 18 ALA HB1 H 1 1.3940 0.02 . 1 . . . . 18 ALA HB1 . 16921 1 160 . 1 1 18 18 ALA HB2 H 1 1.3940 0.02 . 1 . . . . 18 ALA HB1 . 16921 1 161 . 1 1 18 18 ALA HB3 H 1 1.3940 0.02 . 1 . . . . 18 ALA HB1 . 16921 1 162 . 1 1 18 18 ALA C C 13 176.8740 0.20 . 1 . . . . 18 ALA C . 16921 1 163 . 1 1 18 18 ALA CA C 13 52.5390 0.20 . 1 . . . . 18 ALA CA . 16921 1 164 . 1 1 18 18 ALA CB C 13 19.4450 0.20 . 1 . . . . 18 ALA CB . 16921 1 165 . 1 1 18 18 ALA N N 15 128.9600 0.20 . 1 . . . . 18 ALA N . 16921 1 166 . 1 1 19 19 ARG H H 1 8.0030 0.02 . 1 . . . . 19 ARG HN . 16921 1 167 . 1 1 19 19 ARG HA H 1 4.4520 0.02 . 1 . . . . 19 ARG HA . 16921 1 168 . 1 1 19 19 ARG HB2 H 1 1.6480 0.02 . 2 . . . . 19 ARG HB1 . 16921 1 169 . 1 1 19 19 ARG HB3 H 1 1.9190 0.02 . 2 . . . . 19 ARG HB2 . 16921 1 170 . 1 1 19 19 ARG HD2 H 1 3.2270 0.02 . 2 . . . . 19 ARG HD1 . 16921 1 171 . 1 1 19 19 ARG HD3 H 1 3.2270 0.02 . 2 . . . . 19 ARG HD2 . 16921 1 172 . 1 1 19 19 ARG HG2 H 1 1.6160 0.02 . 2 . . . . 19 ARG HG1 . 16921 1 173 . 1 1 19 19 ARG HG3 H 1 1.6160 0.02 . 2 . . . . 19 ARG HG2 . 16921 1 174 . 1 1 19 19 ARG C C 13 174.6690 0.20 . 1 . . . . 19 ARG C . 16921 1 175 . 1 1 19 19 ARG CA C 13 54.6180 0.20 . 1 . . . . 19 ARG CA . 16921 1 176 . 1 1 19 19 ARG CB C 13 32.5030 0.20 . 1 . . . . 19 ARG CB . 16921 1 177 . 1 1 19 19 ARG CD C 13 42.8230 0.20 . 1 . . . . 19 ARG CD . 16921 1 178 . 1 1 19 19 ARG CG C 13 26.7680 0.20 . 1 . . . . 19 ARG CG . 16921 1 179 . 1 1 19 19 ARG N N 15 120.2540 0.20 . 1 . . . . 19 ARG N . 16921 1 180 . 1 1 20 20 ASP H H 1 8.3620 0.02 . 1 . . . . 20 ASP HN . 16921 1 181 . 1 1 20 20 ASP HA H 1 5.1060 0.02 . 1 . . . . 20 ASP HA . 16921 1 182 . 1 1 20 20 ASP HB2 H 1 2.7300 0.02 . 2 . . . . 20 ASP HB1 . 16921 1 183 . 1 1 20 20 ASP HB3 H 1 2.8230 0.02 . 2 . . . . 20 ASP HB2 . 16921 1 184 . 1 1 20 20 ASP C C 13 175.7320 0.20 . 1 . . . . 20 ASP C . 16921 1 185 . 1 1 20 20 ASP CA C 13 54.5530 0.20 . 1 . . . . 20 ASP CA . 16921 1 186 . 1 1 20 20 ASP CB C 13 41.6870 0.20 . 1 . . . . 20 ASP CB . 16921 1 187 . 1 1 20 20 ASP N N 15 121.6960 0.20 . 1 . . . . 20 ASP N . 16921 1 188 . 1 1 21 21 ARG H H 1 8.7700 0.02 . 1 . . . . 21 ARG HN . 16921 1 189 . 1 1 21 21 ARG HA H 1 5.2300 0.02 . 1 . . . . 21 ARG HA . 16921 1 190 . 1 1 21 21 ARG HB2 H 1 1.8380 0.02 . 2 . . . . 21 ARG HB1 . 16921 1 191 . 1 1 21 21 ARG HB3 H 1 1.8940 0.02 . 2 . . . . 21 ARG HB2 . 16921 1 192 . 1 1 21 21 ARG HD2 H 1 3.1450 0.02 . 2 . . . . 21 ARG HD1 . 16921 1 193 . 1 1 21 21 ARG HD3 H 1 3.1450 0.02 . 2 . . . . 21 ARG HD2 . 16921 1 194 . 1 1 21 21 ARG HG2 H 1 1.5100 0.02 . 2 . . . . 21 ARG HG1 . 16921 1 195 . 1 1 21 21 ARG HG3 H 1 1.6700 0.02 . 2 . . . . 21 ARG HG2 . 16921 1 196 . 1 1 21 21 ARG C C 13 174.0320 0.20 . 1 . . . . 21 ARG C . 16921 1 197 . 1 1 21 21 ARG CA C 13 55.4190 0.20 . 1 . . . . 21 ARG CA . 16921 1 198 . 1 1 21 21 ARG CB C 13 34.5040 0.20 . 1 . . . . 21 ARG CB . 16921 1 199 . 1 1 21 21 ARG CG C 13 27.1190 0.20 . 1 . . . . 21 ARG CG . 16921 1 200 . 1 1 21 21 ARG N N 15 119.8070 0.20 . 1 . . . . 21 ARG N . 16921 1 201 . 1 1 22 22 LEU H H 1 8.8020 0.02 . 1 . . . . 22 LEU HN . 16921 1 202 . 1 1 22 22 LEU HA H 1 5.4960 0.02 . 1 . . . . 22 LEU HA . 16921 1 203 . 1 1 22 22 LEU HB2 H 1 1.5600 0.02 . 2 . . . . 22 LEU HB1 . 16921 1 204 . 1 1 22 22 LEU HB3 H 1 1.3990 0.02 . 2 . . . . 22 LEU HB2 . 16921 1 205 . 1 1 22 22 LEU HD11 H 1 0.8550 0.02 . 2 . . . . 22 LEU HD11 . 16921 1 206 . 1 1 22 22 LEU HD12 H 1 0.8550 0.02 . 2 . . . . 22 LEU HD11 . 16921 1 207 . 1 1 22 22 LEU HD13 H 1 0.8550 0.02 . 2 . . . . 22 LEU HD11 . 16921 1 208 . 1 1 22 22 LEU HD21 H 1 0.7200 0.02 . 2 . . . . 22 LEU HD21 . 16921 1 209 . 1 1 22 22 LEU HD22 H 1 0.7200 0.02 . 2 . . . . 22 LEU HD21 . 16921 1 210 . 1 1 22 22 LEU HD23 H 1 0.7200 0.02 . 2 . . . . 22 LEU HD21 . 16921 1 211 . 1 1 22 22 LEU HG H 1 1.6010 0.02 . 1 . . . . 22 LEU HG . 16921 1 212 . 1 1 22 22 LEU C C 13 174.9810 0.20 . 1 . . . . 22 LEU C . 16921 1 213 . 1 1 22 22 LEU CA C 13 53.4950 0.20 . 1 . . . . 22 LEU CA . 16921 1 214 . 1 1 22 22 LEU CB C 13 47.4150 0.20 . 1 . . . . 22 LEU CB . 16921 1 215 . 1 1 22 22 LEU CD1 C 13 24.7770 0.20 . 1 . . . . 22 LEU CD1 . 16921 1 216 . 1 1 22 22 LEU CD2 C 13 25.4790 0.20 . 1 . . . . 22 LEU CD2 . 16921 1 217 . 1 1 22 22 LEU CG C 13 27.3540 0.20 . 1 . . . . 22 LEU CG . 16921 1 218 . 1 1 22 22 LEU N N 15 120.4040 0.20 . 1 . . . . 22 LEU N . 16921 1 219 . 1 1 23 23 GLN H H 1 9.4540 0.02 . 1 . . . . 23 GLN HN . 16921 1 220 . 1 1 23 23 GLN HA H 1 5.2880 0.02 . 1 . . . . 23 GLN HA . 16921 1 221 . 1 1 23 23 GLN HB2 H 1 1.8320 0.02 . 2 . . . . 23 GLN HB1 . 16921 1 222 . 1 1 23 23 GLN HB3 H 1 2.1060 0.02 . 2 . . . . 23 GLN HB2 . 16921 1 223 . 1 1 23 23 GLN HE21 H 1 7.6850 0.02 . 2 . . . . 23 GLN HE21 . 16921 1 224 . 1 1 23 23 GLN HE22 H 1 6.2700 0.02 . 2 . . . . 23 GLN HE22 . 16921 1 225 . 1 1 23 23 GLN HG2 H 1 2.0020 0.02 . 2 . . . . 23 GLN HG1 . 16921 1 226 . 1 1 23 23 GLN HG3 H 1 2.3010 0.02 . 2 . . . . 23 GLN HG2 . 16921 1 227 . 1 1 23 23 GLN C C 13 173.8470 0.20 . 1 . . . . 23 GLN C . 16921 1 228 . 1 1 23 23 GLN CA C 13 54.7970 0.20 . 1 . . . . 23 GLN CA . 16921 1 229 . 1 1 23 23 GLN CB C 13 32.8390 0.20 . 1 . . . . 23 GLN CB . 16921 1 230 . 1 1 23 23 GLN CG C 13 33.4730 0.20 . 1 . . . . 23 GLN CG . 16921 1 231 . 1 1 23 23 GLN N N 15 126.0890 0.20 . 1 . . . . 23 GLN N . 16921 1 232 . 1 1 23 23 GLN NE2 N 15 109.1350 0.20 . 1 . . . . 23 GLN NE2 . 16921 1 233 . 1 1 24 24 ILE H H 1 9.1680 0.02 . 1 . . . . 24 ILE HN . 16921 1 234 . 1 1 24 24 ILE HA H 1 5.2520 0.02 . 1 . . . . 24 ILE HA . 16921 1 235 . 1 1 24 24 ILE HB H 1 1.7690 0.02 . 1 . . . . 24 ILE HB . 16921 1 236 . 1 1 24 24 ILE HD11 H 1 0.8410 0.02 . 1 . . . . 24 ILE HD11 . 16921 1 237 . 1 1 24 24 ILE HD12 H 1 0.8410 0.02 . 1 . . . . 24 ILE HD11 . 16921 1 238 . 1 1 24 24 ILE HD13 H 1 0.8410 0.02 . 1 . . . . 24 ILE HD11 . 16921 1 239 . 1 1 24 24 ILE HG12 H 1 1.1370 0.02 . 2 . . . . 24 ILE HG11 . 16921 1 240 . 1 1 24 24 ILE HG13 H 1 1.6200 0.02 . 2 . . . . 24 ILE HG12 . 16921 1 241 . 1 1 24 24 ILE HG21 H 1 0.8130 0.02 . 1 . . . . 24 ILE HG21 . 16921 1 242 . 1 1 24 24 ILE HG22 H 1 0.8130 0.02 . 1 . . . . 24 ILE HG21 . 16921 1 243 . 1 1 24 24 ILE HG23 H 1 0.8130 0.02 . 1 . . . . 24 ILE HG21 . 16921 1 244 . 1 1 24 24 ILE C C 13 174.0630 0.20 . 1 . . . . 24 ILE C . 16921 1 245 . 1 1 24 24 ILE CA C 13 59.7600 0.20 . 1 . . . . 24 ILE CA . 16921 1 246 . 1 1 24 24 ILE CB C 13 41.2300 0.20 . 1 . . . . 24 ILE CB . 16921 1 247 . 1 1 24 24 ILE CD1 C 13 14.8150 0.20 . 1 . . . . 24 ILE CD1 . 16921 1 248 . 1 1 24 24 ILE CG1 C 13 29.9570 0.20 . 1 . . . . 24 ILE CG1 . 16921 1 249 . 1 1 24 24 ILE CG2 C 13 17.0420 0.20 . 1 . . . . 24 ILE CG2 . 16921 1 250 . 1 1 24 24 ILE N N 15 124.9090 0.20 . 1 . . . . 24 ILE N . 16921 1 251 . 1 1 25 25 ILE H H 1 9.6190 0.02 . 1 . . . . 25 ILE HN . 16921 1 252 . 1 1 25 25 ILE HA H 1 5.0640 0.02 . 1 . . . . 25 ILE HA . 16921 1 253 . 1 1 25 25 ILE HB H 1 1.6820 0.02 . 1 . . . . 25 ILE HB . 16921 1 254 . 1 1 25 25 ILE HD11 H 1 0.7330 0.02 . 1 . . . . 25 ILE HD11 . 16921 1 255 . 1 1 25 25 ILE HD12 H 1 0.7330 0.02 . 1 . . . . 25 ILE HD11 . 16921 1 256 . 1 1 25 25 ILE HD13 H 1 0.7330 0.02 . 1 . . . . 25 ILE HD11 . 16921 1 257 . 1 1 25 25 ILE HG12 H 1 0.9590 0.02 . 2 . . . . 25 ILE HG11 . 16921 1 258 . 1 1 25 25 ILE HG13 H 1 1.4940 0.02 . 2 . . . . 25 ILE HG12 . 16921 1 259 . 1 1 25 25 ILE HG21 H 1 0.7700 0.02 . 1 . . . . 25 ILE HG21 . 16921 1 260 . 1 1 25 25 ILE HG22 H 1 0.7700 0.02 . 1 . . . . 25 ILE HG21 . 16921 1 261 . 1 1 25 25 ILE HG23 H 1 0.7700 0.02 . 1 . . . . 25 ILE HG21 . 16921 1 262 . 1 1 25 25 ILE C C 13 174.5690 0.20 . 1 . . . . 25 ILE C . 16921 1 263 . 1 1 25 25 ILE CA C 13 59.6050 0.20 . 1 . . . . 25 ILE CA . 16921 1 264 . 1 1 25 25 ILE CB C 13 41.6630 0.20 . 1 . . . . 25 ILE CB . 16921 1 265 . 1 1 25 25 ILE CD1 C 13 14.2290 0.20 . 1 . . . . 25 ILE CD1 . 16921 1 266 . 1 1 25 25 ILE CG1 C 13 28.2910 0.20 . 1 . . . . 25 ILE CG1 . 16921 1 267 . 1 1 25 25 ILE CG2 C 13 18.2130 0.20 . 1 . . . . 25 ILE CG2 . 16921 1 268 . 1 1 25 25 ILE N N 15 128.0540 0.20 . 1 . . . . 25 ILE N . 16921 1 269 . 1 1 26 26 ILE H H 1 9.4200 0.02 . 1 . . . . 26 ILE HN . 16921 1 270 . 1 1 26 26 ILE HA H 1 4.8780 0.02 . 1 . . . . 26 ILE HA . 16921 1 271 . 1 1 26 26 ILE HB H 1 1.8140 0.02 . 1 . . . . 26 ILE HB . 16921 1 272 . 1 1 26 26 ILE HD11 H 1 0.7280 0.02 . 1 . . . . 26 ILE HD11 . 16921 1 273 . 1 1 26 26 ILE HD12 H 1 0.7280 0.02 . 1 . . . . 26 ILE HD11 . 16921 1 274 . 1 1 26 26 ILE HD13 H 1 0.7280 0.02 . 1 . . . . 26 ILE HD11 . 16921 1 275 . 1 1 26 26 ILE HG12 H 1 1.5840 0.02 . 2 . . . . 26 ILE HG11 . 16921 1 276 . 1 1 26 26 ILE HG13 H 1 0.9610 0.02 . 2 . . . . 26 ILE HG12 . 16921 1 277 . 1 1 26 26 ILE HG21 H 1 0.7940 0.02 . 1 . . . . 26 ILE HG21 . 16921 1 278 . 1 1 26 26 ILE HG22 H 1 0.7940 0.02 . 1 . . . . 26 ILE HG21 . 16921 1 279 . 1 1 26 26 ILE HG23 H 1 0.7940 0.02 . 1 . . . . 26 ILE HG21 . 16921 1 280 . 1 1 26 26 ILE C C 13 173.2120 0.20 . 1 . . . . 26 ILE C . 16921 1 281 . 1 1 26 26 ILE CA C 13 60.3890 0.20 . 1 . . . . 26 ILE CA . 16921 1 282 . 1 1 26 26 ILE CB C 13 40.3840 0.20 . 1 . . . . 26 ILE CB . 16921 1 283 . 1 1 26 26 ILE CD1 C 13 14.2290 0.20 . 1 . . . . 26 ILE CD1 . 16921 1 284 . 1 1 26 26 ILE CG1 C 13 27.2360 0.20 . 1 . . . . 26 ILE CG1 . 16921 1 285 . 1 1 26 26 ILE CG2 C 13 18.5650 0.20 . 1 . . . . 26 ILE CG2 . 16921 1 286 . 1 1 26 26 ILE N N 15 125.7080 0.20 . 1 . . . . 26 ILE N . 16921 1 287 . 1 1 27 27 ALA H H 1 9.4950 0.02 . 1 . . . . 27 ALA HN . 16921 1 288 . 1 1 27 27 ALA HA H 1 5.6200 0.02 . 1 . . . . 27 ALA HA . 16921 1 289 . 1 1 27 27 ALA HB1 H 1 1.3140 0.02 . 1 . . . . 27 ALA HB1 . 16921 1 290 . 1 1 27 27 ALA HB2 H 1 1.3140 0.02 . 1 . . . . 27 ALA HB1 . 16921 1 291 . 1 1 27 27 ALA HB3 H 1 1.3140 0.02 . 1 . . . . 27 ALA HB1 . 16921 1 292 . 1 1 27 27 ALA C C 13 175.2940 0.20 . 1 . . . . 27 ALA C . 16921 1 293 . 1 1 27 27 ALA CA C 13 49.8590 0.20 . 1 . . . . 27 ALA CA . 16921 1 294 . 1 1 27 27 ALA CB C 13 23.0120 0.20 . 1 . . . . 27 ALA CB . 16921 1 295 . 1 1 27 27 ALA N N 15 129.0160 0.20 . 1 . . . . 27 ALA N . 16921 1 296 . 1 1 28 28 GLN H H 1 9.3620 0.02 . 1 . . . . 28 GLN HN . 16921 1 297 . 1 1 28 28 GLN HA H 1 5.2900 0.02 . 1 . . . . 28 GLN HA . 16921 1 298 . 1 1 28 28 GLN HB2 H 1 2.2130 0.02 . 2 . . . . 28 GLN HB1 . 16921 1 299 . 1 1 28 28 GLN HB3 H 1 1.9160 0.02 . 2 . . . . 28 GLN HB2 . 16921 1 300 . 1 1 28 28 GLN HE21 H 1 7.7470 0.02 . 2 . . . . 28 GLN HE21 . 16921 1 301 . 1 1 28 28 GLN HE22 H 1 7.3410 0.02 . 2 . . . . 28 GLN HE22 . 16921 1 302 . 1 1 28 28 GLN C C 13 173.6610 0.20 . 1 . . . . 28 GLN C . 16921 1 303 . 1 1 28 28 GLN CA C 13 54.5750 0.20 . 1 . . . . 28 GLN CA . 16921 1 304 . 1 1 28 28 GLN CB C 13 34.2080 0.20 . 1 . . . . 28 GLN CB . 16921 1 305 . 1 1 28 28 GLN N N 15 123.6580 0.20 . 1 . . . . 28 GLN N . 16921 1 306 . 1 1 28 28 GLN NE2 N 15 107.7650 0.20 . 1 . . . . 28 GLN NE2 . 16921 1 307 . 1 1 29 29 GLU H H 1 8.9390 0.02 . 1 . . . . 29 GLU HN . 16921 1 308 . 1 1 29 29 GLU HA H 1 5.0900 0.02 . 1 . . . . 29 GLU HA . 16921 1 309 . 1 1 29 29 GLU HB2 H 1 2.1420 0.02 . 2 . . . . 29 GLU HB1 . 16921 1 310 . 1 1 29 29 GLU HB3 H 1 1.7840 0.02 . 2 . . . . 29 GLU HB2 . 16921 1 311 . 1 1 29 29 GLU C C 13 174.8330 0.20 . 1 . . . . 29 GLU C . 16921 1 312 . 1 1 29 29 GLU CA C 13 54.9490 0.20 . 1 . . . . 29 GLU CA . 16921 1 313 . 1 1 29 29 GLU CB C 13 32.8840 0.20 . 1 . . . . 29 GLU CB . 16921 1 314 . 1 1 29 29 GLU N N 15 129.0680 0.20 . 1 . . . . 29 GLU N . 16921 1 315 . 1 1 30 30 ARG H H 1 8.4290 0.02 . 1 . . . . 30 ARG HN . 16921 1 316 . 1 1 30 30 ARG HA H 1 4.9350 0.02 . 1 . . . . 30 ARG HA . 16921 1 317 . 1 1 30 30 ARG HB2 H 1 1.6990 0.02 . 2 . . . . 30 ARG HB1 . 16921 1 318 . 1 1 30 30 ARG HB3 H 1 1.7550 0.02 . 2 . . . . 30 ARG HB2 . 16921 1 319 . 1 1 30 30 ARG HD2 H 1 3.1390 0.02 . 2 . . . . 30 ARG HD1 . 16921 1 320 . 1 1 30 30 ARG HD3 H 1 3.1390 0.02 . 2 . . . . 30 ARG HD2 . 16921 1 321 . 1 1 30 30 ARG HG2 H 1 1.5480 0.02 . 2 . . . . 30 ARG HG1 . 16921 1 322 . 1 1 30 30 ARG HG3 H 1 1.6130 0.02 . 2 . . . . 30 ARG HG2 . 16921 1 323 . 1 1 30 30 ARG C C 13 175.7810 0.20 . 1 . . . . 30 ARG C . 16921 1 324 . 1 1 30 30 ARG CA C 13 54.1700 0.20 . 1 . . . . 30 ARG CA . 16921 1 325 . 1 1 30 30 ARG CB C 13 33.7370 0.20 . 1 . . . . 30 ARG CB . 16921 1 326 . 1 1 30 30 ARG CG C 13 27.1190 0.20 . 1 . . . . 30 ARG CG . 16921 1 327 . 1 1 30 30 ARG N N 15 123.9360 0.20 . 1 . . . . 30 ARG N . 16921 1 328 . 1 1 31 31 ALA H H 1 8.8160 0.02 . 1 . . . . 31 ALA HN . 16921 1 329 . 1 1 31 31 ALA HA H 1 4.2380 0.02 . 1 . . . . 31 ALA HA . 16921 1 330 . 1 1 31 31 ALA HB1 H 1 1.4210 0.02 . 1 . . . . 31 ALA HB1 . 16921 1 331 . 1 1 31 31 ALA HB2 H 1 1.4210 0.02 . 1 . . . . 31 ALA HB1 . 16921 1 332 . 1 1 31 31 ALA HB3 H 1 1.4210 0.02 . 1 . . . . 31 ALA HB1 . 16921 1 333 . 1 1 31 31 ALA C C 13 178.8130 0.20 . 1 . . . . 31 ALA C . 16921 1 334 . 1 1 31 31 ALA CA C 13 52.5100 0.20 . 1 . . . . 31 ALA CA . 16921 1 335 . 1 1 31 31 ALA CB C 13 19.1630 0.20 . 1 . . . . 31 ALA CB . 16921 1 336 . 1 1 31 31 ALA N N 15 126.7380 0.20 . 1 . . . . 31 ALA N . 16921 1 337 . 1 1 32 32 GLN H H 1 8.7860 0.02 . 1 . . . . 32 GLN HN . 16921 1 338 . 1 1 32 32 GLN HA H 1 4.2110 0.02 . 1 . . . . 32 GLN HA . 16921 1 339 . 1 1 32 32 GLN HB2 H 1 2.0960 0.02 . 2 . . . . 32 GLN HB1 . 16921 1 340 . 1 1 32 32 GLN HB3 H 1 2.0460 0.02 . 2 . . . . 32 GLN HB2 . 16921 1 341 . 1 1 32 32 GLN HE21 H 1 7.6080 0.02 . 2 . . . . 32 GLN HE21 . 16921 1 342 . 1 1 32 32 GLN HE22 H 1 6.8990 0.02 . 2 . . . . 32 GLN HE22 . 16921 1 343 . 1 1 32 32 GLN HG2 H 1 2.3820 0.02 . 2 . . . . 32 GLN HG1 . 16921 1 344 . 1 1 32 32 GLN HG3 H 1 2.3820 0.02 . 2 . . . . 32 GLN HG2 . 16921 1 345 . 1 1 32 32 GLN C C 13 176.5270 0.20 . 1 . . . . 32 GLN C . 16921 1 346 . 1 1 32 32 GLN CA C 13 57.2180 0.20 . 1 . . . . 32 GLN CA . 16921 1 347 . 1 1 32 32 GLN CB C 13 29.4290 0.20 . 1 . . . . 32 GLN CB . 16921 1 348 . 1 1 32 32 GLN CG C 13 34.0340 0.20 . 1 . . . . 32 GLN CG . 16921 1 349 . 1 1 32 32 GLN N N 15 121.1120 0.20 . 1 . . . . 32 GLN N . 16921 1 350 . 1 1 32 32 GLN NE2 N 15 112.2670 0.20 . 1 . . . . 32 GLN NE2 . 16921 1 351 . 1 1 33 33 GLU H H 1 8.7710 0.02 . 1 . . . . 33 GLU HN . 16921 1 352 . 1 1 33 33 GLU HA H 1 4.2450 0.02 . 1 . . . . 33 GLU HA . 16921 1 353 . 1 1 33 33 GLU HB2 H 1 2.1060 0.02 . 2 . . . . 33 GLU HB1 . 16921 1 354 . 1 1 33 33 GLU HB3 H 1 1.9960 0.02 . 2 . . . . 33 GLU HB2 . 16921 1 355 . 1 1 33 33 GLU HG2 H 1 2.2440 0.02 . 2 . . . . 33 GLU HG1 . 16921 1 356 . 1 1 33 33 GLU HG3 H 1 2.2440 0.02 . 2 . . . . 33 GLU HG2 . 16921 1 357 . 1 1 33 33 GLU C C 13 176.8780 0.20 . 1 . . . . 33 GLU C . 16921 1 358 . 1 1 33 33 GLU CA C 13 57.1150 0.20 . 1 . . . . 33 GLU CA . 16921 1 359 . 1 1 33 33 GLU CB C 13 29.1740 0.20 . 1 . . . . 33 GLU CB . 16921 1 360 . 1 1 33 33 GLU CG C 13 36.3770 0.20 . 1 . . . . 33 GLU CG . 16921 1 361 . 1 1 33 33 GLU N N 15 119.0630 0.20 . 1 . . . . 33 GLU N . 16921 1 362 . 1 1 34 34 GLY H H 1 7.9690 0.02 . 1 . . . . 34 GLY HN . 16921 1 363 . 1 1 34 34 GLY HA2 H 1 4.1160 0.02 . 2 . . . . 34 GLY HA1 . 16921 1 364 . 1 1 34 34 GLY HA3 H 1 4.0760 0.02 . 2 . . . . 34 GLY HA2 . 16921 1 365 . 1 1 34 34 GLY C C 13 174.3300 0.20 . 1 . . . . 34 GLY C . 16921 1 366 . 1 1 34 34 GLY CA C 13 45.4460 0.20 . 1 . . . . 34 GLY CA . 16921 1 367 . 1 1 34 34 GLY N N 15 107.9960 0.20 . 1 . . . . 34 GLY N . 16921 1 368 . 1 1 35 35 GLN H H 1 8.3350 0.02 . 1 . . . . 35 GLN HN . 16921 1 369 . 1 1 35 35 GLN HA H 1 4.4370 0.02 . 1 . . . . 35 GLN HA . 16921 1 370 . 1 1 35 35 GLN HB2 H 1 1.9330 0.02 . 2 . . . . 35 GLN HB1 . 16921 1 371 . 1 1 35 35 GLN HB3 H 1 2.2590 0.02 . 2 . . . . 35 GLN HB2 . 16921 1 372 . 1 1 35 35 GLN HE21 H 1 7.5120 0.02 . 2 . . . . 35 GLN HE21 . 16921 1 373 . 1 1 35 35 GLN HE22 H 1 6.8190 0.02 . 2 . . . . 35 GLN HE22 . 16921 1 374 . 1 1 35 35 GLN HG2 H 1 2.3060 0.02 . 2 . . . . 35 GLN HG1 . 16921 1 375 . 1 1 35 35 GLN HG3 H 1 2.3060 0.02 . 2 . . . . 35 GLN HG2 . 16921 1 376 . 1 1 35 35 GLN C C 13 175.8820 0.20 . 1 . . . . 35 GLN C . 16921 1 377 . 1 1 35 35 GLN CA C 13 55.6260 0.20 . 1 . . . . 35 GLN CA . 16921 1 378 . 1 1 35 35 GLN CB C 13 29.6520 0.20 . 1 . . . . 35 GLN CB . 16921 1 379 . 1 1 35 35 GLN CG C 13 33.9160 0.20 . 1 . . . . 35 GLN CG . 16921 1 380 . 1 1 35 35 GLN N N 15 116.9250 0.20 . 1 . . . . 35 GLN N . 16921 1 381 . 1 1 35 35 GLN NE2 N 15 112.4630 0.20 . 1 . . . . 35 GLN NE2 . 16921 1 382 . 1 1 36 36 THR H H 1 8.0320 0.02 . 1 . . . . 36 THR HN . 16921 1 383 . 1 1 36 36 THR HA H 1 4.3540 0.02 . 1 . . . . 36 THR HA . 16921 1 384 . 1 1 36 36 THR HB H 1 4.2470 0.02 . 1 . . . . 36 THR HB . 16921 1 385 . 1 1 36 36 THR HG21 H 1 1.1840 0.02 . 1 . . . . 36 THR HG21 . 16921 1 386 . 1 1 36 36 THR HG22 H 1 1.1840 0.02 . 1 . . . . 36 THR HG21 . 16921 1 387 . 1 1 36 36 THR HG23 H 1 1.1840 0.02 . 1 . . . . 36 THR HG21 . 16921 1 388 . 1 1 36 36 THR CA C 13 61.4300 0.20 . 1 . . . . 36 THR CA . 16921 1 389 . 1 1 36 36 THR CB C 13 69.9610 0.20 . 1 . . . . 36 THR CB . 16921 1 390 . 1 1 36 36 THR CG2 C 13 21.5270 0.20 . 1 . . . . 36 THR CG2 . 16921 1 391 . 1 1 36 36 THR N N 15 118.9110 0.20 . 1 . . . . 36 THR N . 16921 1 392 . 1 1 37 37 PRO HA H 1 4.1780 0.02 . 1 . . . . 37 PRO HA . 16921 1 393 . 1 1 37 37 PRO HB2 H 1 1.0840 0.02 . 2 . . . . 37 PRO HB1 . 16921 1 394 . 1 1 37 37 PRO HB3 H 1 1.9620 0.02 . 2 . . . . 37 PRO HB2 . 16921 1 395 . 1 1 37 37 PRO HD2 H 1 3.8910 0.02 . 2 . . . . 37 PRO HD1 . 16921 1 396 . 1 1 37 37 PRO HD3 H 1 3.6550 0.02 . 2 . . . . 37 PRO HD2 . 16921 1 397 . 1 1 37 37 PRO HG2 H 1 1.7000 0.02 . 2 . . . . 37 PRO HG1 . 16921 1 398 . 1 1 37 37 PRO HG3 H 1 1.8090 0.02 . 2 . . . . 37 PRO HG2 . 16921 1 399 . 1 1 37 37 PRO C C 13 173.1840 0.20 . 1 . . . . 37 PRO C . 16921 1 400 . 1 1 37 37 PRO CA C 13 62.6020 0.20 . 1 . . . . 37 PRO CA . 16921 1 401 . 1 1 37 37 PRO CB C 13 32.0430 0.20 . 1 . . . . 37 PRO CB . 16921 1 402 . 1 1 37 37 PRO CD C 13 51.2600 0.20 . 1 . . . . 37 PRO CD . 16921 1 403 . 1 1 37 37 PRO CG C 13 27.0030 0.20 . 1 . . . . 37 PRO CG . 16921 1 404 . 1 1 38 38 ASP H H 1 7.9020 0.02 . 1 . . . . 38 ASP HN . 16921 1 405 . 1 1 38 38 ASP HA H 1 4.4270 0.02 . 1 . . . . 38 ASP HA . 16921 1 406 . 1 1 38 38 ASP HB2 H 1 2.4350 0.02 . 2 . . . . 38 ASP HB1 . 16921 1 407 . 1 1 38 38 ASP HB3 H 1 2.6920 0.02 . 2 . . . . 38 ASP HB2 . 16921 1 408 . 1 1 38 38 ASP C C 13 177.6060 0.20 . 1 . . . . 38 ASP C . 16921 1 409 . 1 1 38 38 ASP CA C 13 52.7390 0.20 . 1 . . . . 38 ASP CA . 16921 1 410 . 1 1 38 38 ASP CB C 13 40.7920 0.20 . 1 . . . . 38 ASP CB . 16921 1 411 . 1 1 38 38 ASP N N 15 116.4950 0.20 . 1 . . . . 38 ASP N . 16921 1 412 . 1 1 39 39 TYR H H 1 9.6850 0.02 . 1 . . . . 39 TYR HN . 16921 1 413 . 1 1 39 39 TYR HA H 1 4.4300 0.02 . 1 . . . . 39 TYR HA . 16921 1 414 . 1 1 39 39 TYR HB2 H 1 2.7040 0.02 . 2 . . . . 39 TYR HB1 . 16921 1 415 . 1 1 39 39 TYR HB3 H 1 2.9920 0.02 . 2 . . . . 39 TYR HB2 . 16921 1 416 . 1 1 39 39 TYR HD1 H 1 7.0310 0.02 . 3 . . . . 39 TYR HD1 . 16921 1 417 . 1 1 39 39 TYR HD2 H 1 7.0310 0.02 . 3 . . . . 39 TYR HD2 . 16921 1 418 . 1 1 39 39 TYR HE1 H 1 6.8000 0.02 . 3 . . . . 39 TYR HE1 . 16921 1 419 . 1 1 39 39 TYR HE2 H 1 6.8000 0.02 . 3 . . . . 39 TYR HE2 . 16921 1 420 . 1 1 39 39 TYR C C 13 176.7050 0.20 . 1 . . . . 39 TYR C . 16921 1 421 . 1 1 39 39 TYR CA C 13 59.9520 0.20 . 1 . . . . 39 TYR CA . 16921 1 422 . 1 1 39 39 TYR CB C 13 39.3240 0.20 . 1 . . . . 39 TYR CB . 16921 1 423 . 1 1 39 39 TYR N N 15 126.2970 0.20 . 1 . . . . 39 TYR N . 16921 1 424 . 1 1 40 40 LEU H H 1 8.5820 0.02 . 1 . . . . 40 LEU HN . 16921 1 425 . 1 1 40 40 LEU HA H 1 3.9760 0.02 . 1 . . . . 40 LEU HA . 16921 1 426 . 1 1 40 40 LEU HB2 H 1 2.1570 0.02 . 2 . . . . 40 LEU HB1 . 16921 1 427 . 1 1 40 40 LEU HB3 H 1 1.5300 0.02 . 2 . . . . 40 LEU HB2 . 16921 1 428 . 1 1 40 40 LEU HD11 H 1 0.8900 0.02 . 2 . . . . 40 LEU HD11 . 16921 1 429 . 1 1 40 40 LEU HD12 H 1 0.8900 0.02 . 2 . . . . 40 LEU HD11 . 16921 1 430 . 1 1 40 40 LEU HD13 H 1 0.8900 0.02 . 2 . . . . 40 LEU HD11 . 16921 1 431 . 1 1 40 40 LEU HD21 H 1 0.7870 0.02 . 2 . . . . 40 LEU HD21 . 16921 1 432 . 1 1 40 40 LEU HD22 H 1 0.7870 0.02 . 2 . . . . 40 LEU HD21 . 16921 1 433 . 1 1 40 40 LEU HD23 H 1 0.7870 0.02 . 2 . . . . 40 LEU HD21 . 16921 1 434 . 1 1 40 40 LEU HG H 1 1.7260 0.02 . 1 . . . . 40 LEU HG . 16921 1 435 . 1 1 40 40 LEU CA C 13 60.9250 0.20 . 1 . . . . 40 LEU CA . 16921 1 436 . 1 1 40 40 LEU CB C 13 38.4160 0.20 . 1 . . . . 40 LEU CB . 16921 1 437 . 1 1 40 40 LEU CD1 C 13 25.4790 0.20 . 1 . . . . 40 LEU CD1 . 16921 1 438 . 1 1 40 40 LEU CD2 C 13 24.6590 0.20 . 1 . . . . 40 LEU CD2 . 16921 1 439 . 1 1 40 40 LEU CG C 13 28.8770 0.20 . 1 . . . . 40 LEU CG . 16921 1 440 . 1 1 40 40 LEU N N 15 122.3770 0.20 . 1 . . . . 40 LEU N . 16921 1 441 . 1 1 41 41 PRO HA H 1 4.1480 0.02 . 1 . . . . 41 PRO HA . 16921 1 442 . 1 1 41 41 PRO HB2 H 1 1.8350 0.02 . 2 . . . . 41 PRO HB1 . 16921 1 443 . 1 1 41 41 PRO HB3 H 1 2.3050 0.02 . 2 . . . . 41 PRO HB2 . 16921 1 444 . 1 1 41 41 PRO HD2 H 1 3.7110 0.02 . 2 . . . . 41 PRO HD1 . 16921 1 445 . 1 1 41 41 PRO HD3 H 1 3.3470 0.02 . 2 . . . . 41 PRO HD2 . 16921 1 446 . 1 1 41 41 PRO HG2 H 1 2.0300 0.02 . 2 . . . . 41 PRO HG1 . 16921 1 447 . 1 1 41 41 PRO HG3 H 1 1.8600 0.02 . 2 . . . . 41 PRO HG2 . 16921 1 448 . 1 1 41 41 PRO C C 13 179.9150 0.20 . 1 . . . . 41 PRO C . 16921 1 449 . 1 1 41 41 PRO CA C 13 66.5310 0.20 . 1 . . . . 41 PRO CA . 16921 1 450 . 1 1 41 41 PRO CB C 13 31.1310 0.20 . 1 . . . . 41 PRO CB . 16921 1 451 . 1 1 41 41 PRO CD C 13 50.2060 0.20 . 1 . . . . 41 PRO CD . 16921 1 452 . 1 1 41 41 PRO CG C 13 28.6430 0.20 . 1 . . . . 41 PRO CG . 16921 1 453 . 1 1 42 42 THR H H 1 7.3760 0.02 . 1 . . . . 42 THR HN . 16921 1 454 . 1 1 42 42 THR HA H 1 3.7850 0.02 . 1 . . . . 42 THR HA . 16921 1 455 . 1 1 42 42 THR HB H 1 4.0940 0.02 . 1 . . . . 42 THR HB . 16921 1 456 . 1 1 42 42 THR HG21 H 1 0.9090 0.02 . 1 . . . . 42 THR HG21 . 16921 1 457 . 1 1 42 42 THR HG22 H 1 0.9090 0.02 . 1 . . . . 42 THR HG21 . 16921 1 458 . 1 1 42 42 THR HG23 H 1 0.9090 0.02 . 1 . . . . 42 THR HG21 . 16921 1 459 . 1 1 42 42 THR C C 13 176.4300 0.20 . 1 . . . . 42 THR C . 16921 1 460 . 1 1 42 42 THR CA C 13 66.1320 0.20 . 1 . . . . 42 THR CA . 16921 1 461 . 1 1 42 42 THR CB C 13 68.8070 0.20 . 1 . . . . 42 THR CB . 16921 1 462 . 1 1 42 42 THR CG2 C 13 21.3780 0.20 . 1 . . . . 42 THR CG2 . 16921 1 463 . 1 1 42 42 THR N N 15 114.2550 0.20 . 1 . . . . 42 THR N . 16921 1 464 . 1 1 43 43 LEU H H 1 8.3670 0.02 . 1 . . . . 43 LEU HN . 16921 1 465 . 1 1 43 43 LEU HA H 1 3.8700 0.02 . 1 . . . . 43 LEU HA . 16921 1 466 . 1 1 43 43 LEU HB2 H 1 1.1700 0.02 . 2 . . . . 43 LEU HB1 . 16921 1 467 . 1 1 43 43 LEU HB3 H 1 1.9260 0.02 . 2 . . . . 43 LEU HB2 . 16921 1 468 . 1 1 43 43 LEU HD11 H 1 0.6490 0.02 . 2 . . . . 43 LEU HD11 . 16921 1 469 . 1 1 43 43 LEU HD12 H 1 0.6490 0.02 . 2 . . . . 43 LEU HD11 . 16921 1 470 . 1 1 43 43 LEU HD13 H 1 0.6490 0.02 . 2 . . . . 43 LEU HD11 . 16921 1 471 . 1 1 43 43 LEU HD21 H 1 0.7440 0.02 . 2 . . . . 43 LEU HD21 . 16921 1 472 . 1 1 43 43 LEU HD22 H 1 0.7440 0.02 . 2 . . . . 43 LEU HD21 . 16921 1 473 . 1 1 43 43 LEU HD23 H 1 0.7440 0.02 . 2 . . . . 43 LEU HD21 . 16921 1 474 . 1 1 43 43 LEU HG H 1 1.8260 0.02 . 1 . . . . 43 LEU HG . 16921 1 475 . 1 1 43 43 LEU C C 13 177.8760 0.20 . 1 . . . . 43 LEU C . 16921 1 476 . 1 1 43 43 LEU CA C 13 57.7820 0.20 . 1 . . . . 43 LEU CA . 16921 1 477 . 1 1 43 43 LEU CB C 13 41.4330 0.20 . 1 . . . . 43 LEU CB . 16921 1 478 . 1 1 43 43 LEU CD1 C 13 22.6440 0.20 . 1 . . . . 43 LEU CD1 . 16921 1 479 . 1 1 43 43 LEU CD2 C 13 26.3000 0.20 . 1 . . . . 43 LEU CD2 . 16921 1 480 . 1 1 43 43 LEU CG C 13 27.0030 0.20 . 1 . . . . 43 LEU CG . 16921 1 481 . 1 1 43 43 LEU N N 15 121.6390 0.20 . 1 . . . . 43 LEU N . 16921 1 482 . 1 1 44 44 ARG H H 1 9.0290 0.02 . 1 . . . . 44 ARG HN . 16921 1 483 . 1 1 44 44 ARG HA H 1 3.5780 0.02 . 1 . . . . 44 ARG HA . 16921 1 484 . 1 1 44 44 ARG HB2 H 1 1.9360 0.02 . 2 . . . . 44 ARG HB1 . 16921 1 485 . 1 1 44 44 ARG HB3 H 1 1.7450 0.02 . 2 . . . . 44 ARG HB2 . 16921 1 486 . 1 1 44 44 ARG HD2 H 1 3.1490 0.02 . 2 . . . . 44 ARG HD1 . 16921 1 487 . 1 1 44 44 ARG HD3 H 1 3.1140 0.02 . 2 . . . . 44 ARG HD2 . 16921 1 488 . 1 1 44 44 ARG HG2 H 1 1.5640 0.02 . 2 . . . . 44 ARG HG1 . 16921 1 489 . 1 1 44 44 ARG HG3 H 1 1.3610 0.02 . 2 . . . . 44 ARG HG2 . 16921 1 490 . 1 1 44 44 ARG C C 13 177.0760 0.20 . 1 . . . . 44 ARG C . 16921 1 491 . 1 1 44 44 ARG CA C 13 60.4680 0.20 . 1 . . . . 44 ARG CA . 16921 1 492 . 1 1 44 44 ARG CB C 13 30.1260 0.20 . 1 . . . . 44 ARG CB . 16921 1 493 . 1 1 44 44 ARG CD C 13 43.6560 0.20 . 1 . . . . 44 ARG CD . 16921 1 494 . 1 1 44 44 ARG CG C 13 27.0270 0.20 . 1 . . . . 44 ARG CG . 16921 1 495 . 1 1 44 44 ARG N N 15 119.9350 0.20 . 1 . . . . 44 ARG N . 16921 1 496 . 1 1 45 45 LYS H H 1 7.3810 0.02 . 1 . . . . 45 LYS HN . 16921 1 497 . 1 1 45 45 LYS HA H 1 3.9360 0.02 . 1 . . . . 45 LYS HA . 16921 1 498 . 1 1 45 45 LYS HB2 H 1 1.8680 0.02 . 2 . . . . 45 LYS HB1 . 16921 1 499 . 1 1 45 45 LYS HB3 H 1 1.8680 0.02 . 2 . . . . 45 LYS HB2 . 16921 1 500 . 1 1 45 45 LYS HD2 H 1 1.6670 0.02 . 2 . . . . 45 LYS HD1 . 16921 1 501 . 1 1 45 45 LYS HD3 H 1 1.6670 0.02 . 2 . . . . 45 LYS HD2 . 16921 1 502 . 1 1 45 45 LYS HE2 H 1 2.9530 0.02 . 2 . . . . 45 LYS HE1 . 16921 1 503 . 1 1 45 45 LYS HE3 H 1 2.9530 0.02 . 2 . . . . 45 LYS HE2 . 16921 1 504 . 1 1 45 45 LYS HG2 H 1 1.3640 0.02 . 2 . . . . 45 LYS HG1 . 16921 1 505 . 1 1 45 45 LYS HG3 H 1 1.5060 0.02 . 2 . . . . 45 LYS HG2 . 16921 1 506 . 1 1 45 45 LYS C C 13 179.1470 0.20 . 1 . . . . 45 LYS C . 16921 1 507 . 1 1 45 45 LYS CA C 13 59.6210 0.20 . 1 . . . . 45 LYS CA . 16921 1 508 . 1 1 45 45 LYS CB C 13 32.5300 0.20 . 1 . . . . 45 LYS CB . 16921 1 509 . 1 1 45 45 LYS CD C 13 29.4770 0.20 . 1 . . . . 45 LYS CD . 16921 1 510 . 1 1 45 45 LYS CE C 13 41.9800 0.20 . 1 . . . . 45 LYS CE . 16921 1 511 . 1 1 45 45 LYS CG C 13 24.8930 0.20 . 1 . . . . 45 LYS CG . 16921 1 512 . 1 1 45 45 LYS N N 15 117.4650 0.20 . 1 . . . . 45 LYS N . 16921 1 513 . 1 1 46 46 ALA H H 1 7.8930 0.02 . 1 . . . . 46 ALA HN . 16921 1 514 . 1 1 46 46 ALA HA H 1 4.1930 0.02 . 1 . . . . 46 ALA HA . 16921 1 515 . 1 1 46 46 ALA HB1 H 1 1.3650 0.02 . 1 . . . . 46 ALA HB1 . 16921 1 516 . 1 1 46 46 ALA HB2 H 1 1.3650 0.02 . 1 . . . . 46 ALA HB1 . 16921 1 517 . 1 1 46 46 ALA HB3 H 1 1.3650 0.02 . 1 . . . . 46 ALA HB1 . 16921 1 518 . 1 1 46 46 ALA C C 13 180.6890 0.20 . 1 . . . . 46 ALA C . 16921 1 519 . 1 1 46 46 ALA CA C 13 54.6320 0.20 . 1 . . . . 46 ALA CA . 16921 1 520 . 1 1 46 46 ALA CB C 13 19.1180 0.20 . 1 . . . . 46 ALA CB . 16921 1 521 . 1 1 46 46 ALA N N 15 120.3460 0.20 . 1 . . . . 46 ALA N . 16921 1 522 . 1 1 47 47 LEU H H 1 8.7290 0.02 . 1 . . . . 47 LEU HN . 16921 1 523 . 1 1 47 47 LEU HA H 1 3.9950 0.02 . 1 . . . . 47 LEU HA . 16921 1 524 . 1 1 47 47 LEU HB2 H 1 1.9030 0.02 . 2 . . . . 47 LEU HB1 . 16921 1 525 . 1 1 47 47 LEU HB3 H 1 1.4030 0.02 . 2 . . . . 47 LEU HB2 . 16921 1 526 . 1 1 47 47 LEU HD11 H 1 0.8200 0.02 . 2 . . . . 47 LEU HD11 . 16921 1 527 . 1 1 47 47 LEU HD12 H 1 0.8200 0.02 . 2 . . . . 47 LEU HD11 . 16921 1 528 . 1 1 47 47 LEU HD13 H 1 0.8200 0.02 . 2 . . . . 47 LEU HD11 . 16921 1 529 . 1 1 47 47 LEU HD21 H 1 0.8200 0.02 . 2 . . . . 47 LEU HD21 . 16921 1 530 . 1 1 47 47 LEU HD22 H 1 0.8200 0.02 . 2 . . . . 47 LEU HD21 . 16921 1 531 . 1 1 47 47 LEU HD23 H 1 0.8200 0.02 . 2 . . . . 47 LEU HD21 . 16921 1 532 . 1 1 47 47 LEU HG H 1 1.7380 0.02 . 1 . . . . 47 LEU HG . 16921 1 533 . 1 1 47 47 LEU C C 13 178.7000 0.20 . 1 . . . . 47 LEU C . 16921 1 534 . 1 1 47 47 LEU CA C 13 57.1780 0.20 . 1 . . . . 47 LEU CA . 16921 1 535 . 1 1 47 47 LEU CB C 13 41.1010 0.20 . 1 . . . . 47 LEU CB . 16921 1 536 . 1 1 47 47 LEU CD1 C 13 23.9560 0.20 . 1 . . . . 47 LEU CD1 . 16921 1 537 . 1 1 47 47 LEU CD2 C 13 24.8930 0.20 . 1 . . . . 47 LEU CD2 . 16921 1 538 . 1 1 47 47 LEU CG C 13 27.4710 0.20 . 1 . . . . 47 LEU CG . 16921 1 539 . 1 1 47 47 LEU N N 15 118.0450 0.20 . 1 . . . . 47 LEU N . 16921 1 540 . 1 1 48 48 MET H H 1 8.1500 0.02 . 1 . . . . 48 MET HN . 16921 1 541 . 1 1 48 48 MET HA H 1 4.2200 0.02 . 1 . . . . 48 MET HA . 16921 1 542 . 1 1 48 48 MET HB2 H 1 2.0750 0.02 . 2 . . . . 48 MET HB1 . 16921 1 543 . 1 1 48 48 MET HB3 H 1 2.2560 0.02 . 2 . . . . 48 MET HB2 . 16921 1 544 . 1 1 48 48 MET HE1 H 1 2.0070 0.02 . 1 . . . . 48 MET HE1 . 16921 1 545 . 1 1 48 48 MET HE2 H 1 2.0070 0.02 . 1 . . . . 48 MET HE1 . 16921 1 546 . 1 1 48 48 MET HE3 H 1 2.0070 0.02 . 1 . . . . 48 MET HE1 . 16921 1 547 . 1 1 48 48 MET HG2 H 1 2.7100 0.02 . 2 . . . . 48 MET HG1 . 16921 1 548 . 1 1 48 48 MET HG3 H 1 2.7990 0.02 . 2 . . . . 48 MET HG2 . 16921 1 549 . 1 1 48 48 MET C C 13 179.2200 0.20 . 1 . . . . 48 MET C . 16921 1 550 . 1 1 48 48 MET CA C 13 58.1670 0.20 . 1 . . . . 48 MET CA . 16921 1 551 . 1 1 48 48 MET CB C 13 30.5600 0.20 . 1 . . . . 48 MET CB . 16921 1 552 . 1 1 48 48 MET CE C 13 16.8850 0.20 . 1 . . . . 48 MET CE . 16921 1 553 . 1 1 48 48 MET CG C 13 32.5380 0.20 . 1 . . . . 48 MET CG . 16921 1 554 . 1 1 48 48 MET N N 15 117.8830 0.20 . 1 . . . . 48 MET N . 16921 1 555 . 1 1 49 49 GLU H H 1 7.5920 0.02 . 1 . . . . 49 GLU HN . 16921 1 556 . 1 1 49 49 GLU HA H 1 4.1010 0.02 . 1 . . . . 49 GLU HA . 16921 1 557 . 1 1 49 49 GLU HB2 H 1 2.2380 0.02 . 2 . . . . 49 GLU HB1 . 16921 1 558 . 1 1 49 49 GLU HB3 H 1 2.1290 0.02 . 2 . . . . 49 GLU HB2 . 16921 1 559 . 1 1 49 49 GLU HG2 H 1 2.2370 0.02 . 2 . . . . 49 GLU HG1 . 16921 1 560 . 1 1 49 49 GLU HG3 H 1 2.4350 0.02 . 2 . . . . 49 GLU HG2 . 16921 1 561 . 1 1 49 49 GLU C C 13 179.0730 0.20 . 1 . . . . 49 GLU C . 16921 1 562 . 1 1 49 49 GLU CA C 13 59.4740 0.20 . 1 . . . . 49 GLU CA . 16921 1 563 . 1 1 49 49 GLU CB C 13 29.3480 0.20 . 1 . . . . 49 GLU CB . 16921 1 564 . 1 1 49 49 GLU CG C 13 36.3530 0.20 . 1 . . . . 49 GLU CG . 16921 1 565 . 1 1 49 49 GLU N N 15 119.7130 0.20 . 1 . . . . 49 GLU N . 16921 1 566 . 1 1 50 50 VAL H H 1 7.9130 0.02 . 1 . . . . 50 VAL HN . 16921 1 567 . 1 1 50 50 VAL HA H 1 3.8610 0.02 . 1 . . . . 50 VAL HA . 16921 1 568 . 1 1 50 50 VAL HB H 1 2.3330 0.02 . 1 . . . . 50 VAL HB . 16921 1 569 . 1 1 50 50 VAL HG11 H 1 0.9520 0.02 . 2 . . . . 50 VAL HG11 . 16921 1 570 . 1 1 50 50 VAL HG12 H 1 0.9520 0.02 . 2 . . . . 50 VAL HG11 . 16921 1 571 . 1 1 50 50 VAL HG13 H 1 0.9520 0.02 . 2 . . . . 50 VAL HG11 . 16921 1 572 . 1 1 50 50 VAL HG21 H 1 1.1450 0.02 . 2 . . . . 50 VAL HG21 . 16921 1 573 . 1 1 50 50 VAL HG22 H 1 1.1450 0.02 . 2 . . . . 50 VAL HG21 . 16921 1 574 . 1 1 50 50 VAL HG23 H 1 1.1450 0.02 . 2 . . . . 50 VAL HG21 . 16921 1 575 . 1 1 50 50 VAL C C 13 178.1610 0.20 . 1 . . . . 50 VAL C . 16921 1 576 . 1 1 50 50 VAL CA C 13 66.1020 0.20 . 1 . . . . 50 VAL CA . 16921 1 577 . 1 1 50 50 VAL CB C 13 32.1180 0.20 . 1 . . . . 50 VAL CB . 16921 1 578 . 1 1 50 50 VAL CG1 C 13 21.9390 0.20 . 1 . . . . 50 VAL CG1 . 16921 1 579 . 1 1 50 50 VAL CG2 C 13 23.1510 0.20 . 1 . . . . 50 VAL CG2 . 16921 1 580 . 1 1 50 50 VAL N N 15 119.4590 0.20 . 1 . . . . 50 VAL N . 16921 1 581 . 1 1 51 51 LEU H H 1 8.6780 0.02 . 1 . . . . 51 LEU HN . 16921 1 582 . 1 1 51 51 LEU HA H 1 3.8910 0.02 . 1 . . . . 51 LEU HA . 16921 1 583 . 1 1 51 51 LEU HB2 H 1 1.9440 0.02 . 2 . . . . 51 LEU HB1 . 16921 1 584 . 1 1 51 51 LEU HB3 H 1 1.1660 0.02 . 2 . . . . 51 LEU HB2 . 16921 1 585 . 1 1 51 51 LEU HD11 H 1 0.6490 0.02 . 2 . . . . 51 LEU HD11 . 16921 1 586 . 1 1 51 51 LEU HD12 H 1 0.6490 0.02 . 2 . . . . 51 LEU HD11 . 16921 1 587 . 1 1 51 51 LEU HD13 H 1 0.6490 0.02 . 2 . . . . 51 LEU HD11 . 16921 1 588 . 1 1 51 51 LEU HD21 H 1 0.7440 0.02 . 2 . . . . 51 LEU HD21 . 16921 1 589 . 1 1 51 51 LEU HD22 H 1 0.7440 0.02 . 2 . . . . 51 LEU HD21 . 16921 1 590 . 1 1 51 51 LEU HD23 H 1 0.7440 0.02 . 2 . . . . 51 LEU HD21 . 16921 1 591 . 1 1 51 51 LEU HG H 1 1.8260 0.02 . 1 . . . . 51 LEU HG . 16921 1 592 . 1 1 51 51 LEU C C 13 178.8530 0.20 . 1 . . . . 51 LEU C . 16921 1 593 . 1 1 51 51 LEU CA C 13 58.1050 0.20 . 1 . . . . 51 LEU CA . 16921 1 594 . 1 1 51 51 LEU CB C 13 41.3540 0.20 . 1 . . . . 51 LEU CB . 16921 1 595 . 1 1 51 51 LEU CD1 C 13 22.6440 0.20 . 1 . . . . 51 LEU CD1 . 16921 1 596 . 1 1 51 51 LEU CD2 C 13 26.3000 0.20 . 1 . . . . 51 LEU CD2 . 16921 1 597 . 1 1 51 51 LEU CG C 13 27.0030 0.20 . 1 . . . . 51 LEU CG . 16921 1 598 . 1 1 51 51 LEU N N 15 119.6630 0.20 . 1 . . . . 51 LEU N . 16921 1 599 . 1 1 52 52 SER H H 1 7.9360 0.02 . 1 . . . . 52 SER HN . 16921 1 600 . 1 1 52 52 SER HA H 1 4.3760 0.02 . 1 . . . . 52 SER HA . 16921 1 601 . 1 1 52 52 SER HB2 H 1 4.0040 0.02 . 2 . . . . 52 SER HB1 . 16921 1 602 . 1 1 52 52 SER HB3 H 1 3.9690 0.02 . 2 . . . . 52 SER HB2 . 16921 1 603 . 1 1 52 52 SER C C 13 176.0130 0.20 . 1 . . . . 52 SER C . 16921 1 604 . 1 1 52 52 SER CA C 13 61.4450 0.20 . 1 . . . . 52 SER CA . 16921 1 605 . 1 1 52 52 SER CB C 13 63.0970 0.20 . 1 . . . . 52 SER CB . 16921 1 606 . 1 1 52 52 SER N N 15 113.2700 0.20 . 1 . . . . 52 SER N . 16921 1 607 . 1 1 53 53 LYS H H 1 7.7140 0.02 . 1 . . . . 53 LYS HN . 16921 1 608 . 1 1 53 53 LYS HA H 1 4.0140 0.02 . 1 . . . . 53 LYS HA . 16921 1 609 . 1 1 53 53 LYS HB2 H 1 1.6070 0.02 . 2 . . . . 53 LYS HB1 . 16921 1 610 . 1 1 53 53 LYS HB3 H 1 1.3730 0.02 . 2 . . . . 53 LYS HB2 . 16921 1 611 . 1 1 53 53 LYS HD2 H 1 1.4800 0.02 . 2 . . . . 53 LYS HD1 . 16921 1 612 . 1 1 53 53 LYS HD3 H 1 1.4180 0.02 . 2 . . . . 53 LYS HD2 . 16921 1 613 . 1 1 53 53 LYS HE2 H 1 2.8020 0.02 . 2 . . . . 53 LYS HE1 . 16921 1 614 . 1 1 53 53 LYS HE3 H 1 2.8020 0.02 . 2 . . . . 53 LYS HE2 . 16921 1 615 . 1 1 53 53 LYS HG2 H 1 0.7030 0.02 . 2 . . . . 53 LYS HG1 . 16921 1 616 . 1 1 53 53 LYS HG3 H 1 1.1480 0.02 . 2 . . . . 53 LYS HG2 . 16921 1 617 . 1 1 53 53 LYS C C 13 178.0040 0.20 . 1 . . . . 53 LYS C . 16921 1 618 . 1 1 53 53 LYS CA C 13 58.5990 0.20 . 1 . . . . 53 LYS CA . 16921 1 619 . 1 1 53 53 LYS CB C 13 33.1930 0.20 . 1 . . . . 53 LYS CB . 16921 1 620 . 1 1 53 53 LYS CD C 13 29.1110 0.20 . 1 . . . . 53 LYS CD . 16921 1 621 . 1 1 53 53 LYS CE C 13 41.9800 0.20 . 1 . . . . 53 LYS CE . 16921 1 622 . 1 1 53 53 LYS CG C 13 24.7760 0.20 . 1 . . . . 53 LYS CG . 16921 1 623 . 1 1 53 53 LYS N N 15 118.7390 0.20 . 1 . . . . 53 LYS N . 16921 1 624 . 1 1 54 54 TYR H H 1 8.0670 0.02 . 1 . . . . 54 TYR HN . 16921 1 625 . 1 1 54 54 TYR HA H 1 4.7020 0.02 . 1 . . . . 54 TYR HA . 16921 1 626 . 1 1 54 54 TYR HB2 H 1 2.6900 0.02 . 2 . . . . 54 TYR HB1 . 16921 1 627 . 1 1 54 54 TYR HB3 H 1 3.1790 0.02 . 2 . . . . 54 TYR HB2 . 16921 1 628 . 1 1 54 54 TYR HD1 H 1 7.2830 0.02 . 3 . . . . 54 TYR HD1 . 16921 1 629 . 1 1 54 54 TYR HD2 H 1 7.2830 0.02 . 3 . . . . 54 TYR HD2 . 16921 1 630 . 1 1 54 54 TYR HE1 H 1 6.8150 0.02 . 3 . . . . 54 TYR HE1 . 16921 1 631 . 1 1 54 54 TYR HE2 H 1 6.8150 0.02 . 3 . . . . 54 TYR HE2 . 16921 1 632 . 1 1 54 54 TYR C C 13 175.9100 0.20 . 1 . . . . 54 TYR C . 16921 1 633 . 1 1 54 54 TYR CA C 13 59.6570 0.20 . 1 . . . . 54 TYR CA . 16921 1 634 . 1 1 54 54 TYR CB C 13 39.7260 0.20 . 1 . . . . 54 TYR CB . 16921 1 635 . 1 1 54 54 TYR N N 15 113.4040 0.20 . 1 . . . . 54 TYR N . 16921 1 636 . 1 1 55 55 VAL H H 1 7.8630 0.02 . 1 . . . . 55 VAL HN . 16921 1 637 . 1 1 55 55 VAL HA H 1 4.1150 0.02 . 1 . . . . 55 VAL HA . 16921 1 638 . 1 1 55 55 VAL HB H 1 2.1460 0.02 . 1 . . . . 55 VAL HB . 16921 1 639 . 1 1 55 55 VAL HG11 H 1 0.5270 0.02 . 2 . . . . 55 VAL HG11 . 16921 1 640 . 1 1 55 55 VAL HG12 H 1 0.5270 0.02 . 2 . . . . 55 VAL HG11 . 16921 1 641 . 1 1 55 55 VAL HG13 H 1 0.5270 0.02 . 2 . . . . 55 VAL HG11 . 16921 1 642 . 1 1 55 55 VAL HG21 H 1 0.5020 0.02 . 2 . . . . 55 VAL HG21 . 16921 1 643 . 1 1 55 55 VAL HG22 H 1 0.5020 0.02 . 2 . . . . 55 VAL HG21 . 16921 1 644 . 1 1 55 55 VAL HG23 H 1 0.5020 0.02 . 2 . . . . 55 VAL HG21 . 16921 1 645 . 1 1 55 55 VAL C C 13 174.7020 0.20 . 1 . . . . 55 VAL C . 16921 1 646 . 1 1 55 55 VAL CA C 13 61.5130 0.20 . 1 . . . . 55 VAL CA . 16921 1 647 . 1 1 55 55 VAL CB C 13 32.2700 0.20 . 1 . . . . 55 VAL CB . 16921 1 648 . 1 1 55 55 VAL CG1 C 13 21.4880 0.20 . 1 . . . . 55 VAL CG1 . 16921 1 649 . 1 1 55 55 VAL CG2 C 13 21.6980 0.20 . 1 . . . . 55 VAL CG2 . 16921 1 650 . 1 1 55 55 VAL N N 15 117.7490 0.20 . 1 . . . . 55 VAL N . 16921 1 651 . 1 1 56 56 ASN H H 1 7.7940 0.02 . 1 . . . . 56 ASN HN . 16921 1 652 . 1 1 56 56 ASN HA H 1 4.5970 0.02 . 1 . . . . 56 ASN HA . 16921 1 653 . 1 1 56 56 ASN HB2 H 1 2.6620 0.02 . 2 . . . . 56 ASN HB1 . 16921 1 654 . 1 1 56 56 ASN HB3 H 1 3.0710 0.02 . 2 . . . . 56 ASN HB2 . 16921 1 655 . 1 1 56 56 ASN HD21 H 1 7.5010 0.02 . 2 . . . . 56 ASN HD21 . 16921 1 656 . 1 1 56 56 ASN HD22 H 1 6.7570 0.02 . 2 . . . . 56 ASN HD22 . 16921 1 657 . 1 1 56 56 ASN C C 13 174.2710 0.20 . 1 . . . . 56 ASN C . 16921 1 658 . 1 1 56 56 ASN CA C 13 53.8910 0.20 . 1 . . . . 56 ASN CA . 16921 1 659 . 1 1 56 56 ASN CB C 13 37.1780 0.20 . 1 . . . . 56 ASN CB . 16921 1 660 . 1 1 56 56 ASN N N 15 117.7780 0.20 . 1 . . . . 56 ASN N . 16921 1 661 . 1 1 56 56 ASN ND2 N 15 111.4010 0.20 . 1 . . . . 56 ASN ND2 . 16921 1 662 . 1 1 57 57 VAL H H 1 7.3760 0.02 . 1 . . . . 57 VAL HN . 16921 1 663 . 1 1 57 57 VAL HA H 1 4.4300 0.02 . 1 . . . . 57 VAL HA . 16921 1 664 . 1 1 57 57 VAL HB H 1 1.9670 0.02 . 1 . . . . 57 VAL HB . 16921 1 665 . 1 1 57 57 VAL HG11 H 1 0.7800 0.02 . 2 . . . . 57 VAL HG11 . 16921 1 666 . 1 1 57 57 VAL HG12 H 1 0.7800 0.02 . 2 . . . . 57 VAL HG11 . 16921 1 667 . 1 1 57 57 VAL HG13 H 1 0.7800 0.02 . 2 . . . . 57 VAL HG11 . 16921 1 668 . 1 1 57 57 VAL HG21 H 1 0.8190 0.02 . 2 . . . . 57 VAL HG21 . 16921 1 669 . 1 1 57 57 VAL HG22 H 1 0.8190 0.02 . 2 . . . . 57 VAL HG21 . 16921 1 670 . 1 1 57 57 VAL HG23 H 1 0.8190 0.02 . 2 . . . . 57 VAL HG21 . 16921 1 671 . 1 1 57 57 VAL C C 13 174.7670 0.20 . 1 . . . . 57 VAL C . 16921 1 672 . 1 1 57 57 VAL CA C 13 60.0440 0.20 . 1 . . . . 57 VAL CA . 16921 1 673 . 1 1 57 57 VAL CB C 13 34.0670 0.20 . 1 . . . . 57 VAL CB . 16921 1 674 . 1 1 57 57 VAL CG1 C 13 20.3230 0.20 . 1 . . . . 57 VAL CG1 . 16921 1 675 . 1 1 57 57 VAL CG2 C 13 21.6120 0.20 . 1 . . . . 57 VAL CG2 . 16921 1 676 . 1 1 57 57 VAL N N 15 114.9520 0.20 . 1 . . . . 57 VAL N . 16921 1 677 . 1 1 58 58 SER H H 1 8.5390 0.02 . 1 . . . . 58 SER HN . 16921 1 678 . 1 1 58 58 SER HA H 1 4.5240 0.02 . 1 . . . . 58 SER HA . 16921 1 679 . 1 1 58 58 SER HB2 H 1 4.0750 0.02 . 2 . . . . 58 SER HB1 . 16921 1 680 . 1 1 58 58 SER HB3 H 1 3.8720 0.02 . 2 . . . . 58 SER HB2 . 16921 1 681 . 1 1 58 58 SER C C 13 174.5400 0.20 . 1 . . . . 58 SER C . 16921 1 682 . 1 1 58 58 SER CA C 13 57.2960 0.20 . 1 . . . . 58 SER CA . 16921 1 683 . 1 1 58 58 SER CB C 13 64.3860 0.20 . 1 . . . . 58 SER CB . 16921 1 684 . 1 1 58 58 SER N N 15 119.2570 0.20 . 1 . . . . 58 SER N . 16921 1 685 . 1 1 59 59 LEU H H 1 8.6060 0.02 . 1 . . . . 59 LEU HN . 16921 1 686 . 1 1 59 59 LEU HA H 1 4.0030 0.02 . 1 . . . . 59 LEU HA . 16921 1 687 . 1 1 59 59 LEU HB2 H 1 1.7520 0.02 . 2 . . . . 59 LEU HB1 . 16921 1 688 . 1 1 59 59 LEU HB3 H 1 1.6140 0.02 . 2 . . . . 59 LEU HB2 . 16921 1 689 . 1 1 59 59 LEU HD11 H 1 0.9530 0.02 . 2 . . . . 59 LEU HD11 . 16921 1 690 . 1 1 59 59 LEU HD12 H 1 0.9530 0.02 . 2 . . . . 59 LEU HD11 . 16921 1 691 . 1 1 59 59 LEU HD13 H 1 0.9530 0.02 . 2 . . . . 59 LEU HD11 . 16921 1 692 . 1 1 59 59 LEU HD21 H 1 0.8780 0.02 . 2 . . . . 59 LEU HD21 . 16921 1 693 . 1 1 59 59 LEU HD22 H 1 0.8780 0.02 . 2 . . . . 59 LEU HD21 . 16921 1 694 . 1 1 59 59 LEU HD23 H 1 0.8780 0.02 . 2 . . . . 59 LEU HD21 . 16921 1 695 . 1 1 59 59 LEU HG H 1 1.7780 0.02 . 1 . . . . 59 LEU HG . 16921 1 696 . 1 1 59 59 LEU C C 13 178.4460 0.20 . 1 . . . . 59 LEU C . 16921 1 697 . 1 1 59 59 LEU CA C 13 57.7550 0.20 . 1 . . . . 59 LEU CA . 16921 1 698 . 1 1 59 59 LEU CB C 13 41.3740 0.20 . 1 . . . . 59 LEU CB . 16921 1 699 . 1 1 59 59 LEU CD1 C 13 24.9600 0.20 . 1 . . . . 59 LEU CD1 . 16921 1 700 . 1 1 59 59 LEU CD2 C 13 23.6450 0.20 . 1 . . . . 59 LEU CD2 . 16921 1 701 . 1 1 59 59 LEU CG C 13 27.1650 0.20 . 1 . . . . 59 LEU CG . 16921 1 702 . 1 1 59 59 LEU N N 15 123.3170 0.20 . 1 . . . . 59 LEU N . 16921 1 703 . 1 1 60 60 ASP H H 1 8.2690 0.02 . 1 . . . . 60 ASP HN . 16921 1 704 . 1 1 60 60 ASP HA H 1 4.4300 0.02 . 1 . . . . 60 ASP HA . 16921 1 705 . 1 1 60 60 ASP HB2 H 1 2.5340 0.02 . 2 . . . . 60 ASP HB1 . 16921 1 706 . 1 1 60 60 ASP HB3 H 1 2.6930 0.02 . 2 . . . . 60 ASP HB2 . 16921 1 707 . 1 1 60 60 ASP C C 13 176.6580 0.20 . 1 . . . . 60 ASP C . 16921 1 708 . 1 1 60 60 ASP CA C 13 55.7890 0.20 . 1 . . . . 60 ASP CA . 16921 1 709 . 1 1 60 60 ASP CB C 13 40.0600 0.20 . 1 . . . . 60 ASP CB . 16921 1 710 . 1 1 60 60 ASP N N 15 115.7590 0.20 . 1 . . . . 60 ASP N . 16921 1 711 . 1 1 61 61 ASN H H 1 7.9760 0.02 . 1 . . . . 61 ASN HN . 16921 1 712 . 1 1 61 61 ASN HA H 1 4.8860 0.02 . 1 . . . . 61 ASN HA . 16921 1 713 . 1 1 61 61 ASN HB2 H 1 3.4040 0.02 . 2 . . . . 61 ASN HB1 . 16921 1 714 . 1 1 61 61 ASN HB3 H 1 2.7170 0.02 . 2 . . . . 61 ASN HB2 . 16921 1 715 . 1 1 61 61 ASN HD21 H 1 7.4200 0.02 . 2 . . . . 61 ASN HD21 . 16921 1 716 . 1 1 61 61 ASN HD22 H 1 7.0080 0.02 . 2 . . . . 61 ASN HD22 . 16921 1 717 . 1 1 61 61 ASN C C 13 173.6380 0.20 . 1 . . . . 61 ASN C . 16921 1 718 . 1 1 61 61 ASN CA C 13 53.4400 0.20 . 1 . . . . 61 ASN CA . 16921 1 719 . 1 1 61 61 ASN CB C 13 39.8130 0.20 . 1 . . . . 61 ASN CB . 16921 1 720 . 1 1 61 61 ASN N N 15 116.5610 0.20 . 1 . . . . 61 ASN N . 16921 1 721 . 1 1 61 61 ASN ND2 N 15 112.5460 0.20 . 1 . . . . 61 ASN ND2 . 16921 1 722 . 1 1 62 62 ILE H H 1 7.4750 0.02 . 1 . . . . 62 ILE HN . 16921 1 723 . 1 1 62 62 ILE HA H 1 4.4920 0.02 . 1 . . . . 62 ILE HA . 16921 1 724 . 1 1 62 62 ILE HB H 1 1.8910 0.02 . 1 . . . . 62 ILE HB . 16921 1 725 . 1 1 62 62 ILE HD11 H 1 0.7800 0.02 . 1 . . . . 62 ILE HD11 . 16921 1 726 . 1 1 62 62 ILE HD12 H 1 0.7800 0.02 . 1 . . . . 62 ILE HD11 . 16921 1 727 . 1 1 62 62 ILE HD13 H 1 0.7800 0.02 . 1 . . . . 62 ILE HD11 . 16921 1 728 . 1 1 62 62 ILE HG12 H 1 1.7280 0.02 . 2 . . . . 62 ILE HG11 . 16921 1 729 . 1 1 62 62 ILE HG13 H 1 1.7280 0.02 . 1 . . . . 62 ILE HG12 . 16921 1 730 . 1 1 62 62 ILE HG21 H 1 0.7530 0.02 . 1 . . . . 62 ILE HG21 . 16921 1 731 . 1 1 62 62 ILE HG22 H 1 0.7530 0.02 . 1 . . . . 62 ILE HG21 . 16921 1 732 . 1 1 62 62 ILE HG23 H 1 0.7530 0.02 . 1 . . . . 62 ILE HG21 . 16921 1 733 . 1 1 62 62 ILE C C 13 174.4320 0.20 . 1 . . . . 62 ILE C . 16921 1 734 . 1 1 62 62 ILE CA C 13 61.4390 0.20 . 1 . . . . 62 ILE CA . 16921 1 735 . 1 1 62 62 ILE CB C 13 39.7120 0.20 . 1 . . . . 62 ILE CB . 16921 1 736 . 1 1 62 62 ILE CD1 C 13 14.5800 0.20 . 1 . . . . 62 ILE CD1 . 16921 1 737 . 1 1 62 62 ILE CG1 C 13 27.2360 0.20 . 1 . . . . 62 ILE CG1 . 16921 1 738 . 1 1 62 62 ILE CG2 C 13 17.2760 0.20 . 1 . . . . 62 ILE CG2 . 16921 1 739 . 1 1 62 62 ILE N N 15 119.5700 0.20 . 1 . . . . 62 ILE N . 16921 1 740 . 1 1 63 63 ARG H H 1 8.6790 0.02 . 1 . . . . 63 ARG HN . 16921 1 741 . 1 1 63 63 ARG HA H 1 4.7500 0.02 . 1 . . . . 63 ARG HA . 16921 1 742 . 1 1 63 63 ARG HB2 H 1 1.8060 0.02 . 2 . . . . 63 ARG HB1 . 16921 1 743 . 1 1 63 63 ARG HB3 H 1 1.9050 0.02 . 2 . . . . 63 ARG HB2 . 16921 1 744 . 1 1 63 63 ARG HD2 H 1 3.2310 0.02 . 2 . . . . 63 ARG HD1 . 16921 1 745 . 1 1 63 63 ARG HD3 H 1 3.2310 0.02 . 2 . . . . 63 ARG HD2 . 16921 1 746 . 1 1 63 63 ARG HG2 H 1 1.7040 0.02 . 2 . . . . 63 ARG HG1 . 16921 1 747 . 1 1 63 63 ARG HG3 H 1 1.6120 0.02 . 2 . . . . 63 ARG HG2 . 16921 1 748 . 1 1 63 63 ARG C C 13 175.7550 0.20 . 1 . . . . 63 ARG C . 16921 1 749 . 1 1 63 63 ARG CA C 13 55.0730 0.20 . 1 . . . . 63 ARG CA . 16921 1 750 . 1 1 63 63 ARG CB C 13 31.9550 0.20 . 1 . . . . 63 ARG CB . 16921 1 751 . 1 1 63 63 ARG CD C 13 43.1740 0.20 . 1 . . . . 63 ARG CD . 16921 1 752 . 1 1 63 63 ARG CG C 13 27.2870 0.20 . 1 . . . . 63 ARG CG . 16921 1 753 . 1 1 63 63 ARG N N 15 127.7210 0.20 . 1 . . . . 63 ARG N . 16921 1 754 . 1 1 64 64 ILE H H 1 8.8750 0.02 . 1 . . . . 64 ILE HN . 16921 1 755 . 1 1 64 64 ILE HA H 1 5.1750 0.02 . 1 . . . . 64 ILE HA . 16921 1 756 . 1 1 64 64 ILE HB H 1 1.7120 0.02 . 1 . . . . 64 ILE HB . 16921 1 757 . 1 1 64 64 ILE HD11 H 1 0.8450 0.02 . 1 . . . . 64 ILE HD11 . 16921 1 758 . 1 1 64 64 ILE HD12 H 1 0.8450 0.02 . 1 . . . . 64 ILE HD11 . 16921 1 759 . 1 1 64 64 ILE HD13 H 1 0.8450 0.02 . 1 . . . . 64 ILE HD11 . 16921 1 760 . 1 1 64 64 ILE HG12 H 1 1.5930 0.02 . 1 . . . . 64 ILE HG11 . 16921 1 761 . 1 1 64 64 ILE HG13 H 1 0.9090 0.02 . 1 . . . . 64 ILE HG12 . 16921 1 762 . 1 1 64 64 ILE HG21 H 1 0.8300 0.02 . 1 . . . . 64 ILE HG21 . 16921 1 763 . 1 1 64 64 ILE HG22 H 1 0.8300 0.02 . 1 . . . . 64 ILE HG21 . 16921 1 764 . 1 1 64 64 ILE HG23 H 1 0.8300 0.02 . 1 . . . . 64 ILE HG21 . 16921 1 765 . 1 1 64 64 ILE C C 13 175.7440 0.20 . 1 . . . . 64 ILE C . 16921 1 766 . 1 1 64 64 ILE CA C 13 60.6030 0.20 . 1 . . . . 64 ILE CA . 16921 1 767 . 1 1 64 64 ILE CB C 13 40.4480 0.20 . 1 . . . . 64 ILE CB . 16921 1 768 . 1 1 64 64 ILE CD1 C 13 13.8770 0.20 . 1 . . . . 64 ILE CD1 . 16921 1 769 . 1 1 64 64 ILE CG1 C 13 28.3020 0.20 . 1 . . . . 64 ILE CG1 . 16921 1 770 . 1 1 64 64 ILE CG2 C 13 17.3930 0.20 . 1 . . . . 64 ILE CG2 . 16921 1 771 . 1 1 64 64 ILE N N 15 126.9920 0.20 . 1 . . . . 64 ILE N . 16921 1 772 . 1 1 65 65 SER H H 1 9.1720 0.02 . 1 . . . . 65 SER HN . 16921 1 773 . 1 1 65 65 SER HA H 1 4.8900 0.02 . 1 . . . . 65 SER HA . 16921 1 774 . 1 1 65 65 SER HB2 H 1 3.8870 0.02 . 2 . . . . 65 SER HB1 . 16921 1 775 . 1 1 65 65 SER HB3 H 1 3.8260 0.02 . 2 . . . . 65 SER HB2 . 16921 1 776 . 1 1 65 65 SER C C 13 171.9500 0.20 . 1 . . . . 65 SER C . 16921 1 777 . 1 1 65 65 SER CA C 13 57.3250 0.20 . 1 . . . . 65 SER CA . 16921 1 778 . 1 1 65 65 SER CB C 13 65.5650 0.20 . 1 . . . . 65 SER CB . 16921 1 779 . 1 1 65 65 SER N N 15 123.0850 0.20 . 1 . . . . 65 SER N . 16921 1 780 . 1 1 66 66 GLN H H 1 8.6010 0.02 . 1 . . . . 66 GLN HN . 16921 1 781 . 1 1 66 66 GLN HA H 1 5.5080 0.02 . 1 . . . . 66 GLN HA . 16921 1 782 . 1 1 66 66 GLN HB2 H 1 2.0380 0.02 . 2 . . . . 66 GLN HB1 . 16921 1 783 . 1 1 66 66 GLN HB3 H 1 1.9680 0.02 . 2 . . . . 66 GLN HB2 . 16921 1 784 . 1 1 66 66 GLN HE21 H 1 7.9120 0.02 . 2 . . . . 66 GLN HE21 . 16921 1 785 . 1 1 66 66 GLN HE22 H 1 6.6870 0.02 . 2 . . . . 66 GLN HE22 . 16921 1 786 . 1 1 66 66 GLN HG2 H 1 2.3000 0.02 . 2 . . . . 66 GLN HG1 . 16921 1 787 . 1 1 66 66 GLN HG3 H 1 2.3000 0.02 . 2 . . . . 66 GLN HG2 . 16921 1 788 . 1 1 66 66 GLN C C 13 174.7130 0.20 . 1 . . . . 66 GLN C . 16921 1 789 . 1 1 66 66 GLN CA C 13 54.8000 0.20 . 1 . . . . 66 GLN CA . 16921 1 790 . 1 1 66 66 GLN CB C 13 32.4760 0.20 . 1 . . . . 66 GLN CB . 16921 1 791 . 1 1 66 66 GLN CG C 13 34.0330 0.20 . 1 . . . . 66 GLN CG . 16921 1 792 . 1 1 66 66 GLN N N 15 122.5200 0.20 . 1 . . . . 66 GLN N . 16921 1 793 . 1 1 66 66 GLN NE2 N 15 111.4840 0.20 . 1 . . . . 66 GLN NE2 . 16921 1 794 . 1 1 67 67 GLU H H 1 8.8940 0.02 . 1 . . . . 67 GLU HN . 16921 1 795 . 1 1 67 67 GLU HA H 1 4.7480 0.02 . 1 . . . . 67 GLU HA . 16921 1 796 . 1 1 67 67 GLU HB2 H 1 2.1280 0.02 . 2 . . . . 67 GLU HB1 . 16921 1 797 . 1 1 67 67 GLU HB3 H 1 1.7290 0.02 . 2 . . . . 67 GLU HB2 . 16921 1 798 . 1 1 67 67 GLU HG2 H 1 2.2150 0.02 . 2 . . . . 67 GLU HG1 . 16921 1 799 . 1 1 67 67 GLU HG3 H 1 2.2940 0.02 . 2 . . . . 67 GLU HG2 . 16921 1 800 . 1 1 67 67 GLU C C 13 174.4610 0.20 . 1 . . . . 67 GLU C . 16921 1 801 . 1 1 67 67 GLU CA C 13 55.4220 0.20 . 1 . . . . 67 GLU CA . 16921 1 802 . 1 1 67 67 GLU CB C 13 35.3340 0.20 . 1 . . . . 67 GLU CB . 16921 1 803 . 1 1 67 67 GLU CG C 13 36.6640 0.20 . 1 . . . . 67 GLU CG . 16921 1 804 . 1 1 67 67 GLU N N 15 122.7360 0.20 . 1 . . . . 67 GLU N . 16921 1 805 . 1 1 68 68 LYS H H 1 8.6240 0.02 . 1 . . . . 68 LYS HN . 16921 1 806 . 1 1 68 68 LYS HA H 1 5.2450 0.02 . 1 . . . . 68 LYS HA . 16921 1 807 . 1 1 68 68 LYS HB2 H 1 1.7460 0.02 . 2 . . . . 68 LYS HB1 . 16921 1 808 . 1 1 68 68 LYS HB3 H 1 1.8360 0.02 . 2 . . . . 68 LYS HB2 . 16921 1 809 . 1 1 68 68 LYS HD2 H 1 1.6640 0.02 . 2 . . . . 68 LYS HD1 . 16921 1 810 . 1 1 68 68 LYS HD3 H 1 1.6630 0.02 . 2 . . . . 68 LYS HD2 . 16921 1 811 . 1 1 68 68 LYS HE2 H 1 2.9640 0.02 . 2 . . . . 68 LYS HE1 . 16921 1 812 . 1 1 68 68 LYS HE3 H 1 2.9940 0.02 . 2 . . . . 68 LYS HE2 . 16921 1 813 . 1 1 68 68 LYS HG2 H 1 1.4330 0.02 . 2 . . . . 68 LYS HG1 . 16921 1 814 . 1 1 68 68 LYS HG3 H 1 1.2750 0.02 . 2 . . . . 68 LYS HG2 . 16921 1 815 . 1 1 68 68 LYS C C 13 175.5530 0.20 . 1 . . . . 68 LYS C . 16921 1 816 . 1 1 68 68 LYS CA C 13 55.7710 0.20 . 1 . . . . 68 LYS CA . 16921 1 817 . 1 1 68 68 LYS CB C 13 35.8790 0.20 . 1 . . . . 68 LYS CB . 16921 1 818 . 1 1 68 68 LYS CD C 13 29.6050 0.20 . 1 . . . . 68 LYS CD . 16921 1 819 . 1 1 68 68 LYS CE C 13 41.7220 0.20 . 1 . . . . 68 LYS CE . 16921 1 820 . 1 1 68 68 LYS CG C 13 24.3070 0.20 . 1 . . . . 68 LYS CG . 16921 1 821 . 1 1 68 68 LYS N N 15 123.1330 0.20 . 1 . . . . 68 LYS N . 16921 1 822 . 1 1 69 69 GLN H H 1 8.7770 0.02 . 1 . . . . 69 GLN HN . 16921 1 823 . 1 1 69 69 GLN HA H 1 4.4370 0.02 . 1 . . . . 69 GLN HA . 16921 1 824 . 1 1 69 69 GLN HB2 H 1 1.9690 0.02 . 2 . . . . 69 GLN HB1 . 16921 1 825 . 1 1 69 69 GLN HB3 H 1 1.9690 0.02 . 2 . . . . 69 GLN HB2 . 16921 1 826 . 1 1 69 69 GLN HE21 H 1 7.5080 0.02 . 2 . . . . 69 GLN HE21 . 16921 1 827 . 1 1 69 69 GLN HE22 H 1 6.7400 0.02 . 2 . . . . 69 GLN HE22 . 16921 1 828 . 1 1 69 69 GLN HG2 H 1 2.1970 0.02 . 2 . . . . 69 GLN HG1 . 16921 1 829 . 1 1 69 69 GLN HG3 H 1 2.1970 0.02 . 2 . . . . 69 GLN HG2 . 16921 1 830 . 1 1 69 69 GLN C C 13 174.4430 0.20 . 1 . . . . 69 GLN C . 16921 1 831 . 1 1 69 69 GLN CA C 13 55.5190 0.20 . 1 . . . . 69 GLN CA . 16921 1 832 . 1 1 69 69 GLN CB C 13 31.9240 0.20 . 1 . . . . 69 GLN CB . 16921 1 833 . 1 1 69 69 GLN CG C 13 33.6820 0.20 . 1 . . . . 69 GLN CG . 16921 1 834 . 1 1 69 69 GLN N N 15 124.4660 0.20 . 1 . . . . 69 GLN N . 16921 1 835 . 1 1 69 69 GLN NE2 N 15 111.6800 0.20 . 1 . . . . 69 GLN NE2 . 16921 1 836 . 1 1 70 70 ASP H H 1 9.1750 0.02 . 1 . . . . 70 ASP HN . 16921 1 837 . 1 1 70 70 ASP HA H 1 4.2440 0.02 . 1 . . . . 70 ASP HA . 16921 1 838 . 1 1 70 70 ASP HB2 H 1 2.7340 0.02 . 2 . . . . 70 ASP HB1 . 16921 1 839 . 1 1 70 70 ASP HB3 H 1 2.8410 0.02 . 2 . . . . 70 ASP HB2 . 16921 1 840 . 1 1 70 70 ASP C C 13 175.8540 0.20 . 1 . . . . 70 ASP C . 16921 1 841 . 1 1 70 70 ASP CA C 13 56.4600 0.20 . 1 . . . . 70 ASP CA . 16921 1 842 . 1 1 70 70 ASP CB C 13 39.9670 0.20 . 1 . . . . 70 ASP CB . 16921 1 843 . 1 1 70 70 ASP N N 15 125.4080 0.20 . 1 . . . . 70 ASP N . 16921 1 844 . 1 1 71 71 GLY H H 1 8.6240 0.02 . 1 . . . . 71 GLY HN . 16921 1 845 . 1 1 71 71 GLY HA2 H 1 4.0430 0.02 . 2 . . . . 71 GLY HA1 . 16921 1 846 . 1 1 71 71 GLY HA3 H 1 4.1340 0.02 . 2 . . . . 71 GLY HA2 . 16921 1 847 . 1 1 71 71 GLY C C 13 173.4270 0.20 . 1 . . . . 71 GLY C . 16921 1 848 . 1 1 71 71 GLY CA C 13 46.0130 0.20 . 1 . . . . 71 GLY CA . 16921 1 849 . 1 1 71 71 GLY N N 15 110.0430 0.20 . 1 . . . . 71 GLY N . 16921 1 850 . 1 1 72 72 MET H H 1 8.2770 0.02 . 1 . . . . 72 MET HN . 16921 1 851 . 1 1 72 72 MET HA H 1 5.2120 0.02 . 1 . . . . 72 MET HA . 16921 1 852 . 1 1 72 72 MET HB2 H 1 2.0450 0.02 . 2 . . . . 72 MET HB1 . 16921 1 853 . 1 1 72 72 MET HB3 H 1 1.8440 0.02 . 2 . . . . 72 MET HB2 . 16921 1 854 . 1 1 72 72 MET HE1 H 1 1.7570 0.02 . 1 . . . . 72 MET HE1 . 16921 1 855 . 1 1 72 72 MET HE2 H 1 1.7570 0.02 . 1 . . . . 72 MET HE1 . 16921 1 856 . 1 1 72 72 MET HE3 H 1 1.7570 0.02 . 1 . . . . 72 MET HE1 . 16921 1 857 . 1 1 72 72 MET HG2 H 1 2.2290 0.02 . 2 . . . . 72 MET HG1 . 16921 1 858 . 1 1 72 72 MET HG3 H 1 1.9840 0.02 . 2 . . . . 72 MET HG2 . 16921 1 859 . 1 1 72 72 MET C C 13 173.5260 0.20 . 1 . . . . 72 MET C . 16921 1 860 . 1 1 72 72 MET CA C 13 54.6340 0.20 . 1 . . . . 72 MET CA . 16921 1 861 . 1 1 72 72 MET CB C 13 35.5350 0.20 . 1 . . . . 72 MET CB . 16921 1 862 . 1 1 72 72 MET CE C 13 17.2110 0.20 . 1 . . . . 72 MET CE . 16921 1 863 . 1 1 72 72 MET CG C 13 32.3150 0.20 . 1 . . . . 72 MET CG . 16921 1 864 . 1 1 72 72 MET N N 15 121.2790 0.20 . 1 . . . . 72 MET N . 16921 1 865 . 1 1 73 73 ASP H H 1 8.7430 0.02 . 1 . . . . 73 ASP HN . 16921 1 866 . 1 1 73 73 ASP HA H 1 5.3320 0.02 . 1 . . . . 73 ASP HA . 16921 1 867 . 1 1 73 73 ASP HB2 H 1 2.5200 0.02 . 2 . . . . 73 ASP HB1 . 16921 1 868 . 1 1 73 73 ASP HB3 H 1 2.7500 0.02 . 2 . . . . 73 ASP HB2 . 16921 1 869 . 1 1 73 73 ASP C C 13 174.6930 0.20 . 1 . . . . 73 ASP C . 16921 1 870 . 1 1 73 73 ASP CA C 13 53.5350 0.20 . 1 . . . . 73 ASP CA . 16921 1 871 . 1 1 73 73 ASP CB C 13 45.6090 0.20 . 1 . . . . 73 ASP CB . 16921 1 872 . 1 1 73 73 ASP N N 15 124.5170 0.20 . 1 . . . . 73 ASP N . 16921 1 873 . 1 1 74 74 VAL H H 1 8.8940 0.02 . 1 . . . . 74 VAL HN . 16921 1 874 . 1 1 74 74 VAL HA H 1 5.1660 0.02 . 1 . . . . 74 VAL HA . 16921 1 875 . 1 1 74 74 VAL HB H 1 1.8640 0.02 . 1 . . . . 74 VAL HB . 16921 1 876 . 1 1 74 74 VAL HG11 H 1 0.8140 0.02 . 2 . . . . 74 VAL HG11 . 16921 1 877 . 1 1 74 74 VAL HG12 H 1 0.8140 0.02 . 2 . . . . 74 VAL HG11 . 16921 1 878 . 1 1 74 74 VAL HG13 H 1 0.8140 0.02 . 2 . . . . 74 VAL HG11 . 16921 1 879 . 1 1 74 74 VAL HG21 H 1 0.8140 0.02 . 2 . . . . 74 VAL HG21 . 16921 1 880 . 1 1 74 74 VAL HG22 H 1 0.8140 0.02 . 2 . . . . 74 VAL HG21 . 16921 1 881 . 1 1 74 74 VAL HG23 H 1 0.8140 0.02 . 2 . . . . 74 VAL HG21 . 16921 1 882 . 1 1 74 74 VAL C C 13 173.5970 0.20 . 1 . . . . 74 VAL C . 16921 1 883 . 1 1 74 74 VAL CA C 13 60.7590 0.20 . 1 . . . . 74 VAL CA . 16921 1 884 . 1 1 74 74 VAL CB C 13 35.6060 0.20 . 1 . . . . 74 VAL CB . 16921 1 885 . 1 1 74 74 VAL CG1 C 13 22.5600 0.20 . 1 . . . . 74 VAL CG1 . 16921 1 886 . 1 1 74 74 VAL CG2 C 13 22.5600 0.20 . 1 . . . . 74 VAL CG2 . 16921 1 887 . 1 1 74 74 VAL N N 15 120.5330 0.20 . 1 . . . . 74 VAL N . 16921 1 888 . 1 1 75 75 LEU H H 1 9.3830 0.02 . 1 . . . . 75 LEU HN . 16921 1 889 . 1 1 75 75 LEU HA H 1 5.1100 0.02 . 1 . . . . 75 LEU HA . 16921 1 890 . 1 1 75 75 LEU HB2 H 1 1.4820 0.02 . 2 . . . . 75 LEU HB1 . 16921 1 891 . 1 1 75 75 LEU HB3 H 1 1.7610 0.02 . 2 . . . . 75 LEU HB2 . 16921 1 892 . 1 1 75 75 LEU HD11 H 1 0.7820 0.02 . 2 . . . . 75 LEU HD11 . 16921 1 893 . 1 1 75 75 LEU HD12 H 1 0.7820 0.02 . 2 . . . . 75 LEU HD11 . 16921 1 894 . 1 1 75 75 LEU HD13 H 1 0.7820 0.02 . 2 . . . . 75 LEU HD11 . 16921 1 895 . 1 1 75 75 LEU HD21 H 1 0.8970 0.02 . 2 . . . . 75 LEU HD21 . 16921 1 896 . 1 1 75 75 LEU HD22 H 1 0.8970 0.02 . 2 . . . . 75 LEU HD21 . 16921 1 897 . 1 1 75 75 LEU HD23 H 1 0.8970 0.02 . 2 . . . . 75 LEU HD21 . 16921 1 898 . 1 1 75 75 LEU HG H 1 1.4910 0.02 . 1 . . . . 75 LEU HG . 16921 1 899 . 1 1 75 75 LEU C C 13 173.3810 0.20 . 1 . . . . 75 LEU C . 16921 1 900 . 1 1 75 75 LEU CA C 13 53.4520 0.20 . 1 . . . . 75 LEU CA . 16921 1 901 . 1 1 75 75 LEU CB C 13 46.3850 0.20 . 1 . . . . 75 LEU CB . 16921 1 902 . 1 1 75 75 LEU CD1 C 13 26.1820 0.20 . 1 . . . . 75 LEU CD1 . 16921 1 903 . 1 1 75 75 LEU CD2 C 13 24.5420 0.20 . 1 . . . . 75 LEU CD2 . 16921 1 904 . 1 1 75 75 LEU CG C 13 27.3540 0.20 . 1 . . . . 75 LEU CG . 16921 1 905 . 1 1 75 75 LEU N N 15 129.8220 0.20 . 1 . . . . 75 LEU N . 16921 1 906 . 1 1 76 76 GLU H H 1 9.2980 0.02 . 1 . . . . 76 GLU HN . 16921 1 907 . 1 1 76 76 GLU HA H 1 5.3360 0.02 . 1 . . . . 76 GLU HA . 16921 1 908 . 1 1 76 76 GLU HB2 H 1 1.6730 0.02 . 2 . . . . 76 GLU HB1 . 16921 1 909 . 1 1 76 76 GLU HB3 H 1 2.0840 0.02 . 2 . . . . 76 GLU HB2 . 16921 1 910 . 1 1 76 76 GLU C C 13 174.4350 0.20 . 1 . . . . 76 GLU C . 16921 1 911 . 1 1 76 76 GLU CA C 13 54.4010 0.20 . 1 . . . . 76 GLU CA . 16921 1 912 . 1 1 76 76 GLU CB C 13 33.2950 0.20 . 1 . . . . 76 GLU CB . 16921 1 913 . 1 1 76 76 GLU N N 15 126.4620 0.20 . 1 . . . . 76 GLU N . 16921 1 914 . 1 1 77 77 LEU H H 1 9.6580 0.02 . 1 . . . . 77 LEU HN . 16921 1 915 . 1 1 77 77 LEU HA H 1 5.2170 0.02 . 1 . . . . 77 LEU HA . 16921 1 916 . 1 1 77 77 LEU HB2 H 1 1.7230 0.02 . 2 . . . . 77 LEU HB1 . 16921 1 917 . 1 1 77 77 LEU HB3 H 1 1.2800 0.02 . 2 . . . . 77 LEU HB2 . 16921 1 918 . 1 1 77 77 LEU HD11 H 1 0.7810 0.02 . 2 . . . . 77 LEU HD11 . 16921 1 919 . 1 1 77 77 LEU HD12 H 1 0.7810 0.02 . 2 . . . . 77 LEU HD11 . 16921 1 920 . 1 1 77 77 LEU HD13 H 1 0.7810 0.02 . 2 . . . . 77 LEU HD11 . 16921 1 921 . 1 1 77 77 LEU HD21 H 1 0.7770 0.02 . 2 . . . . 77 LEU HD21 . 16921 1 922 . 1 1 77 77 LEU HD22 H 1 0.7770 0.02 . 2 . . . . 77 LEU HD21 . 16921 1 923 . 1 1 77 77 LEU HD23 H 1 0.7770 0.02 . 2 . . . . 77 LEU HD21 . 16921 1 924 . 1 1 77 77 LEU HG H 1 1.6320 0.02 . 1 . . . . 77 LEU HG . 16921 1 925 . 1 1 77 77 LEU C C 13 175.1340 0.20 . 1 . . . . 77 LEU C . 16921 1 926 . 1 1 77 77 LEU CA C 13 53.9730 0.20 . 1 . . . . 77 LEU CA . 16921 1 927 . 1 1 77 77 LEU CB C 13 43.8900 0.20 . 1 . . . . 77 LEU CB . 16921 1 928 . 1 1 77 77 LEU CD1 C 13 25.4890 0.20 . 1 . . . . 77 LEU CD1 . 16921 1 929 . 1 1 77 77 LEU CD2 C 13 26.6050 0.20 . 1 . . . . 77 LEU CD2 . 16921 1 930 . 1 1 77 77 LEU CG C 13 28.5740 0.20 . 1 . . . . 77 LEU CG . 16921 1 931 . 1 1 77 77 LEU N N 15 126.2100 0.20 . 1 . . . . 77 LEU N . 16921 1 932 . 1 1 78 78 ASN H H 1 9.0790 0.02 . 1 . . . . 78 ASN HN . 16921 1 933 . 1 1 78 78 ASN HA H 1 5.2710 0.02 . 1 . . . . 78 ASN HA . 16921 1 934 . 1 1 78 78 ASN HB2 H 1 2.7300 0.02 . 2 . . . . 78 ASN HB1 . 16921 1 935 . 1 1 78 78 ASN HB3 H 1 2.5860 0.02 . 2 . . . . 78 ASN HB2 . 16921 1 936 . 1 1 78 78 ASN HD21 H 1 7.2500 0.02 . 2 . . . . 78 ASN HD21 . 16921 1 937 . 1 1 78 78 ASN HD22 H 1 7.6720 0.02 . 2 . . . . 78 ASN HD22 . 16921 1 938 . 1 1 78 78 ASN C C 13 174.2910 0.20 . 1 . . . . 78 ASN C . 16921 1 939 . 1 1 78 78 ASN CA C 13 53.3760 0.20 . 1 . . . . 78 ASN CA . 16921 1 940 . 1 1 78 78 ASN CB C 13 41.9650 0.20 . 1 . . . . 78 ASN CB . 16921 1 941 . 1 1 78 78 ASN N N 15 122.1760 0.20 . 1 . . . . 78 ASN N . 16921 1 942 . 1 1 78 78 ASN ND2 N 15 114.2190 0.20 . 1 . . . . 78 ASN ND2 . 16921 1 943 . 1 1 79 79 ILE H H 1 9.1300 0.02 . 1 . . . . 79 ILE HN . 16921 1 944 . 1 1 79 79 ILE HA H 1 4.7910 0.02 . 1 . . . . 79 ILE HA . 16921 1 945 . 1 1 79 79 ILE HB H 1 1.9520 0.02 . 1 . . . . 79 ILE HB . 16921 1 946 . 1 1 79 79 ILE HD11 H 1 0.7670 0.02 . 1 . . . . 79 ILE HD11 . 16921 1 947 . 1 1 79 79 ILE HD12 H 1 0.7670 0.02 . 1 . . . . 79 ILE HD11 . 16921 1 948 . 1 1 79 79 ILE HD13 H 1 0.7670 0.02 . 1 . . . . 79 ILE HD11 . 16921 1 949 . 1 1 79 79 ILE HG12 H 1 1.0380 0.02 . 1 . . . . 79 ILE HG11 . 16921 1 950 . 1 1 79 79 ILE HG13 H 1 1.4300 0.02 . 1 . . . . 79 ILE HG12 . 16921 1 951 . 1 1 79 79 ILE HG21 H 1 0.7630 0.02 . 1 . . . . 79 ILE HG21 . 16921 1 952 . 1 1 79 79 ILE HG22 H 1 0.7630 0.02 . 1 . . . . 79 ILE HG21 . 16921 1 953 . 1 1 79 79 ILE HG23 H 1 0.7630 0.02 . 1 . . . . 79 ILE HG21 . 16921 1 954 . 1 1 79 79 ILE C C 13 175.0570 0.20 . 1 . . . . 79 ILE C . 16921 1 955 . 1 1 79 79 ILE CA C 13 60.6110 0.20 . 1 . . . . 79 ILE CA . 16921 1 956 . 1 1 79 79 ILE CB C 13 41.1630 0.20 . 1 . . . . 79 ILE CB . 16921 1 957 . 1 1 79 79 ILE CD1 C 13 16.0150 0.20 . 1 . . . . 79 ILE CD1 . 16921 1 958 . 1 1 79 79 ILE CG1 C 13 28.9910 0.20 . 1 . . . . 79 ILE CG1 . 16921 1 959 . 1 1 79 79 ILE CG2 C 13 19.2260 0.20 . 1 . . . . 79 ILE CG2 . 16921 1 960 . 1 1 79 79 ILE N N 15 125.6660 0.20 . 1 . . . . 79 ILE N . 16921 1 961 . 1 1 80 80 THR H H 1 8.6890 0.02 . 1 . . . . 80 THR HN . 16921 1 962 . 1 1 80 80 THR HA H 1 4.4260 0.02 . 1 . . . . 80 THR HA . 16921 1 963 . 1 1 80 80 THR HB H 1 4.1160 0.02 . 1 . . . . 80 THR HB . 16921 1 964 . 1 1 80 80 THR HG21 H 1 1.2470 0.02 . 1 . . . . 80 THR HG21 . 16921 1 965 . 1 1 80 80 THR HG22 H 1 1.2470 0.02 . 1 . . . . 80 THR HG21 . 16921 1 966 . 1 1 80 80 THR HG23 H 1 1.2470 0.02 . 1 . . . . 80 THR HG21 . 16921 1 967 . 1 1 80 80 THR C C 13 173.7220 0.20 . 1 . . . . 80 THR C . 16921 1 968 . 1 1 80 80 THR CA C 13 62.6090 0.20 . 1 . . . . 80 THR CA . 16921 1 969 . 1 1 80 80 THR CB C 13 69.3120 0.20 . 1 . . . . 80 THR CB . 16921 1 970 . 1 1 80 80 THR CG2 C 13 22.0000 0.20 . 1 . . . . 80 THR CG2 . 16921 1 971 . 1 1 80 80 THR N N 15 124.9440 0.20 . 1 . . . . 80 THR N . 16921 1 972 . 1 1 81 81 LEU H H 1 8.0890 0.02 . 1 . . . . 81 LEU HN . 16921 1 973 . 1 1 81 81 LEU HA H 1 4.4910 0.02 . 1 . . . . 81 LEU HA . 16921 1 974 . 1 1 81 81 LEU HB2 H 1 1.6480 0.02 . 2 . . . . 81 LEU HB1 . 16921 1 975 . 1 1 81 81 LEU HB3 H 1 1.6700 0.02 . 2 . . . . 81 LEU HB2 . 16921 1 976 . 1 1 81 81 LEU HD11 H 1 0.7090 0.02 . 2 . . . . 81 LEU HD11 . 16921 1 977 . 1 1 81 81 LEU HD12 H 1 0.7090 0.02 . 2 . . . . 81 LEU HD11 . 16921 1 978 . 1 1 81 81 LEU HD13 H 1 0.7090 0.02 . 2 . . . . 81 LEU HD11 . 16921 1 979 . 1 1 81 81 LEU HD21 H 1 0.9880 0.02 . 2 . . . . 81 LEU HD21 . 16921 1 980 . 1 1 81 81 LEU HD22 H 1 0.9880 0.02 . 2 . . . . 81 LEU HD21 . 16921 1 981 . 1 1 81 81 LEU HD23 H 1 0.9880 0.02 . 2 . . . . 81 LEU HD21 . 16921 1 982 . 1 1 81 81 LEU HG H 1 1.6020 0.02 . 1 . . . . 81 LEU HG . 16921 1 983 . 1 1 81 81 LEU CA C 13 53.0490 0.20 . 1 . . . . 81 LEU CA . 16921 1 984 . 1 1 81 81 LEU CB C 13 40.3350 0.20 . 1 . . . . 81 LEU CB . 16921 1 985 . 1 1 81 81 LEU CD1 C 13 22.9960 0.20 . 1 . . . . 81 LEU CD1 . 16921 1 986 . 1 1 81 81 LEU CD2 C 13 25.7130 0.20 . 1 . . . . 81 LEU CD2 . 16921 1 987 . 1 1 81 81 LEU CG C 13 27.7050 0.20 . 1 . . . . 81 LEU CG . 16921 1 988 . 1 1 81 81 LEU N N 15 127.7900 0.20 . 1 . . . . 81 LEU N . 16921 1 989 . 1 1 82 82 PRO HA H 1 4.4490 0.02 . 1 . . . . 82 PRO HA . 16921 1 990 . 1 1 82 82 PRO HB2 H 1 2.3330 0.02 . 2 . . . . 82 PRO HB1 . 16921 1 991 . 1 1 82 82 PRO HB3 H 1 1.9320 0.02 . 2 . . . . 82 PRO HB2 . 16921 1 992 . 1 1 82 82 PRO HD2 H 1 3.6970 0.02 . 2 . . . . 82 PRO HD1 . 16921 1 993 . 1 1 82 82 PRO HD3 H 1 3.6480 0.02 . 2 . . . . 82 PRO HD2 . 16921 1 994 . 1 1 82 82 PRO HG2 H 1 2.0890 0.02 . 2 . . . . 82 PRO HG1 . 16921 1 995 . 1 1 82 82 PRO HG3 H 1 2.0890 0.02 . 2 . . . . 82 PRO HG2 . 16921 1 996 . 1 1 82 82 PRO C C 13 176.5400 0.20 . 1 . . . . 82 PRO C . 16921 1 997 . 1 1 82 82 PRO CA C 13 62.9240 0.20 . 1 . . . . 82 PRO CA . 16921 1 998 . 1 1 82 82 PRO CB C 13 32.3480 0.20 . 1 . . . . 82 PRO CB . 16921 1 999 . 1 1 82 82 PRO CD C 13 50.5670 0.20 . 1 . . . . 82 PRO CD . 16921 1 1000 . 1 1 82 82 PRO CG C 13 27.5340 0.20 . 1 . . . . 82 PRO CG . 16921 1 1001 . 1 1 83 83 GLU H H 1 8.6200 0.02 . 1 . . . . 83 GLU HN . 16921 1 1002 . 1 1 83 83 GLU HA H 1 4.2740 0.02 . 1 . . . . 83 GLU HA . 16921 1 1003 . 1 1 83 83 GLU HB2 H 1 2.0180 0.02 . 2 . . . . 83 GLU HB1 . 16921 1 1004 . 1 1 83 83 GLU HB3 H 1 1.9670 0.02 . 2 . . . . 83 GLU HB2 . 16921 1 1005 . 1 1 83 83 GLU HG2 H 1 2.3180 0.02 . 2 . . . . 83 GLU HG1 . 16921 1 1006 . 1 1 83 83 GLU HG3 H 1 2.2550 0.02 . 2 . . . . 83 GLU HG2 . 16921 1 1007 . 1 1 83 83 GLU C C 13 176.6400 0.20 . 1 . . . . 83 GLU C . 16921 1 1008 . 1 1 83 83 GLU CA C 13 56.6790 0.20 . 1 . . . . 83 GLU CA . 16921 1 1009 . 1 1 83 83 GLU CB C 13 30.5650 0.20 . 1 . . . . 83 GLU CB . 16921 1 1010 . 1 1 83 83 GLU CG C 13 36.4950 0.20 . 1 . . . . 83 GLU CG . 16921 1 1011 . 1 1 83 83 GLU N N 15 121.8340 0.20 . 1 . . . . 83 GLU N . 16921 1 1012 . 1 1 84 84 GLN H H 1 8.6540 0.02 . 1 . . . . 84 GLN HN . 16921 1 1013 . 1 1 84 84 GLN HA H 1 4.3520 0.02 . 1 . . . . 84 GLN HA . 16921 1 1014 . 1 1 84 84 GLN HB2 H 1 2.1050 0.02 . 2 . . . . 84 GLN HB1 . 16921 1 1015 . 1 1 84 84 GLN HB3 H 1 1.9850 0.02 . 2 . . . . 84 GLN HB2 . 16921 1 1016 . 1 1 84 84 GLN HE21 H 1 7.6480 0.02 . 2 . . . . 84 GLN HE21 . 16921 1 1017 . 1 1 84 84 GLN HE22 H 1 6.9360 0.02 . 2 . . . . 84 GLN HE22 . 16921 1 1018 . 1 1 84 84 GLN HG2 H 1 2.4020 0.02 . 2 . . . . 84 GLN HG1 . 16921 1 1019 . 1 1 84 84 GLN HG3 H 1 2.4020 0.02 . 2 . . . . 84 GLN HG2 . 16921 1 1020 . 1 1 84 84 GLN C C 13 175.7820 0.20 . 1 . . . . 84 GLN C . 16921 1 1021 . 1 1 84 84 GLN CA C 13 55.5450 0.20 . 1 . . . . 84 GLN CA . 16921 1 1022 . 1 1 84 84 GLN CB C 13 29.5180 0.20 . 1 . . . . 84 GLN CB . 16921 1 1023 . 1 1 84 84 GLN CG C 13 33.6820 0.20 . 1 . . . . 84 GLN CG . 16921 1 1024 . 1 1 84 84 GLN N N 15 123.3260 0.20 . 1 . . . . 84 GLN N . 16921 1 1025 . 1 1 84 84 GLN NE2 N 15 113.0500 0.20 . 1 . . . . 84 GLN NE2 . 16921 1 1026 . 1 1 85 85 LYS H H 1 8.4630 0.02 . 1 . . . . 85 LYS HN . 16921 1 1027 . 1 1 85 85 LYS HA H 1 4.3050 0.02 . 1 . . . . 85 LYS HA . 16921 1 1028 . 1 1 85 85 LYS HB2 H 1 1.7430 0.02 . 2 . . . . 85 LYS HB1 . 16921 1 1029 . 1 1 85 85 LYS HB3 H 1 1.8140 0.02 . 2 . . . . 85 LYS HB2 . 16921 1 1030 . 1 1 85 85 LYS HD2 H 1 1.6720 0.02 . 2 . . . . 85 LYS HD1 . 16921 1 1031 . 1 1 85 85 LYS HD3 H 1 1.6720 0.02 . 2 . . . . 85 LYS HD2 . 16921 1 1032 . 1 1 85 85 LYS HE2 H 1 2.9800 0.02 . 2 . . . . 85 LYS HE1 . 16921 1 1033 . 1 1 85 85 LYS HE3 H 1 2.9800 0.02 . 2 . . . . 85 LYS HE2 . 16921 1 1034 . 1 1 85 85 LYS HG2 H 1 1.4380 0.02 . 2 . . . . 85 LYS HG1 . 16921 1 1035 . 1 1 85 85 LYS HG3 H 1 1.3800 0.02 . 2 . . . . 85 LYS HG2 . 16921 1 1036 . 1 1 85 85 LYS C C 13 176.3490 0.20 . 1 . . . . 85 LYS C . 16921 1 1037 . 1 1 85 85 LYS CA C 13 56.3370 0.20 . 1 . . . . 85 LYS CA . 16921 1 1038 . 1 1 85 85 LYS CB C 13 33.1080 0.20 . 1 . . . . 85 LYS CB . 16921 1 1039 . 1 1 85 85 LYS CD C 13 28.9940 0.20 . 1 . . . . 85 LYS CD . 16921 1 1040 . 1 1 85 85 LYS CE C 13 41.8850 0.20 . 1 . . . . 85 LYS CE . 16921 1 1041 . 1 1 85 85 LYS CG C 13 24.8930 0.20 . 1 . . . . 85 LYS CG . 16921 1 1042 . 1 1 85 85 LYS N N 15 123.2780 0.20 . 1 . . . . 85 LYS N . 16921 1 1043 . 1 1 86 86 LYS H H 1 8.3760 0.02 . 1 . . . . 86 LYS HN . 16921 1 1044 . 1 1 86 86 LYS HA H 1 4.3290 0.02 . 1 . . . . 86 LYS HA . 16921 1 1045 . 1 1 86 86 LYS HB2 H 1 1.7340 0.02 . 2 . . . . 86 LYS HB1 . 16921 1 1046 . 1 1 86 86 LYS HB3 H 1 1.7840 0.02 . 2 . . . . 86 LYS HB2 . 16921 1 1047 . 1 1 86 86 LYS HD2 H 1 1.6720 0.02 . 2 . . . . 86 LYS HD1 . 16921 1 1048 . 1 1 86 86 LYS HD3 H 1 1.6720 0.02 . 2 . . . . 86 LYS HD2 . 16921 1 1049 . 1 1 86 86 LYS HE2 H 1 2.9800 0.02 . 2 . . . . 86 LYS HE1 . 16921 1 1050 . 1 1 86 86 LYS HE3 H 1 2.9800 0.02 . 2 . . . . 86 LYS HE2 . 16921 1 1051 . 1 1 86 86 LYS HG2 H 1 1.4380 0.02 . 2 . . . . 86 LYS HG1 . 16921 1 1052 . 1 1 86 86 LYS HG3 H 1 1.3800 0.02 . 2 . . . . 86 LYS HG2 . 16921 1 1053 . 1 1 86 86 LYS C C 13 176.3700 0.20 . 1 . . . . 86 LYS C . 16921 1 1054 . 1 1 86 86 LYS CA C 13 56.2730 0.20 . 1 . . . . 86 LYS CA . 16921 1 1055 . 1 1 86 86 LYS CB C 13 33.1740 0.20 . 1 . . . . 86 LYS CB . 16921 1 1056 . 1 1 86 86 LYS CD C 13 28.9940 0.20 . 1 . . . . 86 LYS CD . 16921 1 1057 . 1 1 86 86 LYS CE C 13 41.8850 0.20 . 1 . . . . 86 LYS CE . 16921 1 1058 . 1 1 86 86 LYS CG C 13 24.8930 0.20 . 1 . . . . 86 LYS CG . 16921 1 1059 . 1 1 86 86 LYS N N 15 123.1440 0.20 . 1 . . . . 86 LYS N . 16921 1 1060 . 1 1 87 87 VAL H H 1 8.2230 0.02 . 1 . . . . 87 VAL HN . 16921 1 1061 . 1 1 87 87 VAL HA H 1 4.0560 0.02 . 1 . . . . 87 VAL HA . 16921 1 1062 . 1 1 87 87 VAL HB H 1 2.0270 0.02 . 1 . . . . 87 VAL HB . 16921 1 1063 . 1 1 87 87 VAL HG11 H 1 0.8870 0.02 . 2 . . . . 87 VAL HG11 . 16921 1 1064 . 1 1 87 87 VAL HG12 H 1 0.8870 0.02 . 2 . . . . 87 VAL HG11 . 16921 1 1065 . 1 1 87 87 VAL HG13 H 1 0.8870 0.02 . 2 . . . . 87 VAL HG11 . 16921 1 1066 . 1 1 87 87 VAL HG21 H 1 0.9160 0.02 . 2 . . . . 87 VAL HG21 . 16921 1 1067 . 1 1 87 87 VAL HG22 H 1 0.9160 0.02 . 2 . . . . 87 VAL HG21 . 16921 1 1068 . 1 1 87 87 VAL HG23 H 1 0.9160 0.02 . 2 . . . . 87 VAL HG21 . 16921 1 1069 . 1 1 87 87 VAL C C 13 175.9190 0.20 . 1 . . . . 87 VAL C . 16921 1 1070 . 1 1 87 87 VAL CA C 13 62.3210 0.20 . 1 . . . . 87 VAL CA . 16921 1 1071 . 1 1 87 87 VAL CB C 13 32.7520 0.20 . 1 . . . . 87 VAL CB . 16921 1 1072 . 1 1 87 87 VAL CG1 C 13 21.1430 0.20 . 1 . . . . 87 VAL CG1 . 16921 1 1073 . 1 1 87 87 VAL CG2 C 13 20.6740 0.20 . 1 . . . . 87 VAL CG2 . 16921 1 1074 . 1 1 87 87 VAL N N 15 122.5330 0.20 . 1 . . . . 87 VAL N . 16921 1 1075 . 1 1 88 88 LEU H H 1 8.3410 0.02 . 1 . . . . 88 LEU HN . 16921 1 1076 . 1 1 88 88 LEU HA H 1 4.3300 0.02 . 1 . . . . 88 LEU HA . 16921 1 1077 . 1 1 88 88 LEU HB2 H 1 1.4770 0.02 . 2 . . . . 88 LEU HB1 . 16921 1 1078 . 1 1 88 88 LEU HB3 H 1 1.5620 0.02 . 2 . . . . 88 LEU HB2 . 16921 1 1079 . 1 1 88 88 LEU HD11 H 1 0.8300 0.02 . 2 . . . . 88 LEU HD11 . 16921 1 1080 . 1 1 88 88 LEU HD12 H 1 0.8300 0.02 . 2 . . . . 88 LEU HD11 . 16921 1 1081 . 1 1 88 88 LEU HD13 H 1 0.8300 0.02 . 2 . . . . 88 LEU HD11 . 16921 1 1082 . 1 1 88 88 LEU HD21 H 1 0.8830 0.02 . 2 . . . . 88 LEU HD21 . 16921 1 1083 . 1 1 88 88 LEU HD22 H 1 0.8830 0.02 . 2 . . . . 88 LEU HD21 . 16921 1 1084 . 1 1 88 88 LEU HD23 H 1 0.8830 0.02 . 2 . . . . 88 LEU HD21 . 16921 1 1085 . 1 1 88 88 LEU HG H 1 1.5720 0.02 . 1 . . . . 88 LEU HG . 16921 1 1086 . 1 1 88 88 LEU C C 13 177.0120 0.20 . 1 . . . . 88 LEU C . 16921 1 1087 . 1 1 88 88 LEU CA C 13 54.9580 0.20 . 1 . . . . 88 LEU CA . 16921 1 1088 . 1 1 88 88 LEU CB C 13 42.3090 0.20 . 1 . . . . 88 LEU CB . 16921 1 1089 . 1 1 88 88 LEU CD1 C 13 23.4040 0.20 . 1 . . . . 88 LEU CD1 . 16921 1 1090 . 1 1 88 88 LEU CD2 C 13 24.7900 0.20 . 1 . . . . 88 LEU CD2 . 16921 1 1091 . 1 1 88 88 LEU CG C 13 27.0030 0.20 . 1 . . . . 88 LEU CG . 16921 1 1092 . 1 1 88 88 LEU N N 15 126.2950 0.20 . 1 . . . . 88 LEU N . 16921 1 1093 . 1 1 89 89 GLU H H 1 8.3330 0.02 . 1 . . . . 89 GLU HN . 16921 1 1094 . 1 1 89 89 GLU HA H 1 4.2000 0.02 . 1 . . . . 89 GLU HA . 16921 1 1095 . 1 1 89 89 GLU HB2 H 1 1.8370 0.02 . 2 . . . . 89 GLU HB1 . 16921 1 1096 . 1 1 89 89 GLU HB3 H 1 1.8950 0.02 . 2 . . . . 89 GLU HB2 . 16921 1 1097 . 1 1 89 89 GLU HG2 H 1 2.1340 0.02 . 2 . . . . 89 GLU HG1 . 16921 1 1098 . 1 1 89 89 GLU HG3 H 1 2.1910 0.02 . 2 . . . . 89 GLU HG2 . 16921 1 1099 . 1 1 89 89 GLU C C 13 174.1210 0.20 . 1 . . . . 89 GLU C . 16921 1 1100 . 1 1 89 89 GLU CA C 13 56.2890 0.20 . 1 . . . . 89 GLU CA . 16921 1 1101 . 1 1 89 89 GLU CB C 13 30.4730 0.20 . 1 . . . . 89 GLU CB . 16921 1 1102 . 1 1 89 89 GLU CG C 13 36.2600 0.20 . 1 . . . . 89 GLU CG . 16921 1 1103 . 1 1 89 89 GLU N N 15 121.7780 0.20 . 1 . . . . 89 GLU N . 16921 1 1104 . 1 1 90 90 HIS H H 1 8.2410 0.02 . 1 . . . . 90 HIS HN . 16921 1 1105 . 1 1 90 90 HIS HA H 1 4.5250 0.02 . 1 . . . . 90 HIS HA . 16921 1 1106 . 1 1 90 90 HIS C C 13 176.4960 0.20 . 1 . . . . 90 HIS C . 16921 1 1107 . 1 1 90 90 HIS CA C 13 56.0610 0.20 . 1 . . . . 90 HIS CA . 16921 1 1108 . 1 1 90 90 HIS CB C 13 30.9150 0.20 . 1 . . . . 90 HIS CB . 16921 1 1109 . 1 1 90 90 HIS N N 15 120.2050 0.20 . 1 . . . . 90 HIS N . 16921 1 1110 . 1 1 91 91 HIS H H 1 7.9380 0.02 . 1 . . . . 91 HIS HN . 16921 1 1111 . 1 1 91 91 HIS CA C 13 57.5400 0.20 . 1 . . . . 91 HIS CA . 16921 1 1112 . 1 1 91 91 HIS N N 15 125.6820 0.20 . 1 . . . . 91 HIS N . 16921 1 stop_ save_