data_6918 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6918 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CRC-N (algal centrin N-term) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-06 _Entry.Accession_date 2005-12-06 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jonathan Sheehan . H. . 6918 2 Christopher Bunick . G. . 6918 3 Haitao Hu . . . 6918 4 Patricia Fagan . A. . 6918 5 Susan Meyn . M. . 6918 6 Walter Chazin . J. . 6918 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6918 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 6918 '15N chemical shifts' 93 6918 '1H chemical shifts' 659 6918 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-29 2005-12-06 original author . 6918 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6918 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16317001 _Citation.Full_citation . _Citation.Title ; Structure of the N-terminal Calcium Sensor Domain of Centrin Reveals the Biochemical Basis for Domain-Specific Function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 5 _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 2876 _Citation.Page_last 2881 _Citation.Year 2006 _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 Jonathan Sheehan . H. . 6918 1 2 Christopher Bunick . G. . 6918 1 3 Haitao Hu . . . 6918 1 4 Patricia Fagan . A. . 6918 1 5 Susan Meyn . M. . 6918 1 6 Walter Chazin . J. . 6918 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6918 _Assembly.ID 1 _Assembly.Name Ca2+/CRC-N _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 10782 _Assembly.Enzyme_commission_number . _Assembly.Details 'calcium-loaded N-terminal domain of CRC-N (algal centrin)' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6918 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-terminal domain of caltractin' 1 $CRC-N . . yes native no no . . . 6918 1 2 'CALCIUM (II) ION' 2 $CA . . no native no no . . . 6918 1 3 'CALCIUM (II) ION' 2 $CA . . no native no no . . . 6918 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRC-N _Entity.Sf_category entity _Entity.Sf_framecode CRC-N _Entity.Entry_ID 6918 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CRC-N _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 ; GSMSYKAKTVVSARRDQKKG RVGLTEEQKQEIREAFDLFD TDGSGTIDAKELKVAMRALG FEPKKEEIKKMISEIDKDGS GTIDFEEFLTMMTAKM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6820 . Caltractin . . . . . 100.00 96 100.00 100.00 1.18e-59 . . . . 6918 1 2 no PDB 2AMI . "Solution Structure Of The Calcium-loaded N-terminal Sensor Domain Of Centrin" . . . . . 100.00 96 100.00 100.00 1.18e-59 . . . . 6918 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6918 1 2 . SER . 6918 1 3 . MET . 6918 1 4 . SER . 6918 1 5 . TYR . 6918 1 6 . LYS . 6918 1 7 . ALA . 6918 1 8 . LYS . 6918 1 9 . THR . 6918 1 10 . VAL . 6918 1 11 . VAL . 6918 1 12 . SER . 6918 1 13 . ALA . 6918 1 14 . ARG . 6918 1 15 . ARG . 6918 1 16 . ASP . 6918 1 17 . GLN . 6918 1 18 . LYS . 6918 1 19 . LYS . 6918 1 20 . GLY . 6918 1 21 . ARG . 6918 1 22 . VAL . 6918 1 23 . GLY . 6918 1 24 . LEU . 6918 1 25 . THR . 6918 1 26 . GLU . 6918 1 27 . GLU . 6918 1 28 . GLN . 6918 1 29 . LYS . 6918 1 30 . GLN . 6918 1 31 . GLU . 6918 1 32 . ILE . 6918 1 33 . ARG . 6918 1 34 . GLU . 6918 1 35 . ALA . 6918 1 36 . PHE . 6918 1 37 . ASP . 6918 1 38 . LEU . 6918 1 39 . PHE . 6918 1 40 . ASP . 6918 1 41 . THR . 6918 1 42 . ASP . 6918 1 43 . GLY . 6918 1 44 . SER . 6918 1 45 . GLY . 6918 1 46 . THR . 6918 1 47 . ILE . 6918 1 48 . ASP . 6918 1 49 . ALA . 6918 1 50 . LYS . 6918 1 51 . GLU . 6918 1 52 . LEU . 6918 1 53 . LYS . 6918 1 54 . VAL . 6918 1 55 . ALA . 6918 1 56 . MET . 6918 1 57 . ARG . 6918 1 58 . ALA . 6918 1 59 . LEU . 6918 1 60 . GLY . 6918 1 61 . PHE . 6918 1 62 . GLU . 6918 1 63 . PRO . 6918 1 64 . LYS . 6918 1 65 . LYS . 6918 1 66 . GLU . 6918 1 67 . GLU . 6918 1 68 . ILE . 6918 1 69 . LYS . 6918 1 70 . LYS . 6918 1 71 . MET . 6918 1 72 . ILE . 6918 1 73 . SER . 6918 1 74 . GLU . 6918 1 75 . ILE . 6918 1 76 . ASP . 6918 1 77 . LYS . 6918 1 78 . ASP . 6918 1 79 . GLY . 6918 1 80 . SER . 6918 1 81 . GLY . 6918 1 82 . THR . 6918 1 83 . ILE . 6918 1 84 . ASP . 6918 1 85 . PHE . 6918 1 86 . GLU . 6918 1 87 . GLU . 6918 1 88 . PHE . 6918 1 89 . LEU . 6918 1 90 . THR . 6918 1 91 . MET . 6918 1 92 . MET . 6918 1 93 . THR . 6918 1 94 . ALA . 6918 1 95 . LYS . 6918 1 96 . MET . 6918 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6918 1 . SER 2 2 6918 1 . MET 3 3 6918 1 . SER 4 4 6918 1 . TYR 5 5 6918 1 . LYS 6 6 6918 1 . ALA 7 7 6918 1 . LYS 8 8 6918 1 . THR 9 9 6918 1 . VAL 10 10 6918 1 . VAL 11 11 6918 1 . SER 12 12 6918 1 . ALA 13 13 6918 1 . ARG 14 14 6918 1 . ARG 15 15 6918 1 . ASP 16 16 6918 1 . GLN 17 17 6918 1 . LYS 18 18 6918 1 . LYS 19 19 6918 1 . GLY 20 20 6918 1 . ARG 21 21 6918 1 . VAL 22 22 6918 1 . GLY 23 23 6918 1 . LEU 24 24 6918 1 . THR 25 25 6918 1 . GLU 26 26 6918 1 . GLU 27 27 6918 1 . GLN 28 28 6918 1 . LYS 29 29 6918 1 . GLN 30 30 6918 1 . GLU 31 31 6918 1 . ILE 32 32 6918 1 . ARG 33 33 6918 1 . GLU 34 34 6918 1 . ALA 35 35 6918 1 . PHE 36 36 6918 1 . ASP 37 37 6918 1 . LEU 38 38 6918 1 . PHE 39 39 6918 1 . ASP 40 40 6918 1 . THR 41 41 6918 1 . ASP 42 42 6918 1 . GLY 43 43 6918 1 . SER 44 44 6918 1 . GLY 45 45 6918 1 . THR 46 46 6918 1 . ILE 47 47 6918 1 . ASP 48 48 6918 1 . ALA 49 49 6918 1 . LYS 50 50 6918 1 . GLU 51 51 6918 1 . LEU 52 52 6918 1 . LYS 53 53 6918 1 . VAL 54 54 6918 1 . ALA 55 55 6918 1 . MET 56 56 6918 1 . ARG 57 57 6918 1 . ALA 58 58 6918 1 . LEU 59 59 6918 1 . GLY 60 60 6918 1 . PHE 61 61 6918 1 . GLU 62 62 6918 1 . PRO 63 63 6918 1 . LYS 64 64 6918 1 . LYS 65 65 6918 1 . GLU 66 66 6918 1 . GLU 67 67 6918 1 . ILE 68 68 6918 1 . LYS 69 69 6918 1 . LYS 70 70 6918 1 . MET 71 71 6918 1 . ILE 72 72 6918 1 . SER 73 73 6918 1 . GLU 74 74 6918 1 . ILE 75 75 6918 1 . ASP 76 76 6918 1 . LYS 77 77 6918 1 . ASP 78 78 6918 1 . GLY 79 79 6918 1 . SER 80 80 6918 1 . GLY 81 81 6918 1 . THR 82 82 6918 1 . ILE 83 83 6918 1 . ASP 84 84 6918 1 . PHE 85 85 6918 1 . GLU 86 86 6918 1 . GLU 87 87 6918 1 . PHE 88 88 6918 1 . LEU 89 89 6918 1 . THR 90 90 6918 1 . MET 91 91 6918 1 . MET 92 92 6918 1 . THR 93 93 6918 1 . ALA 94 94 6918 1 . LYS 95 95 6918 1 . MET 96 96 6918 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6918 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 6918 2 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 6918 _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 $CRC-N . 3055 organism . 'Chlamydomonas reinhardtii' 'green algae' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii . . . . . . . . . . . . . . . . . . . . . 6918 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 6918 _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 $CRC-N . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6918 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 6918 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 30 13:46:04 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6918 CA [Ca++] SMILES CACTVS 3.341 6918 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6918 CA [Ca+2] SMILES ACDLabs 10.04 6918 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6918 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6918 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6918 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 6918 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6918 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6918 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6918 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CRC-N '[U-13C; U-15N]' . . 1 $CRC-N . . 1 . . mM . . . . 6918 1 2 CaCl2 . . . . . . . . 5 10 mM . . . . 6918 1 3 Tris-d11 . . . . . . . 25 . . mM . . . . 6918 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6918 _Sample_condition_list.ID 1 _Sample_condition_list.Details '5-10 mM CaCl2; 25mM Tris-d11' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 6918 1 temperature 298 0.1 K 6918 1 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 6918 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6918 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6918 _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 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 2 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 3 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 5 (H)CC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 6 H(CCCO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 7 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 8 '1H COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 9 '1H 2-quantum' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6918 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6918 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6918 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6918 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6918 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6918 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6918 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.90 0.03 . 1 . . . . 1 GLY HA2 . 6918 1 2 . 1 1 1 1 GLY HA3 H 1 3.90 0.03 . 1 . . . . 1 GLY HA3 . 6918 1 3 . 1 1 1 1 GLY CA C 13 43.40 0.40 . 1 . . . . 1 GLY CA . 6918 1 4 . 1 1 2 2 SER HA H 1 4.53 0.03 . 1 . . . . 2 SER HA . 6918 1 5 . 1 1 2 2 SER HB2 H 1 3.90 0.03 . 1 . . . . 2 SER HB2 . 6918 1 6 . 1 1 2 2 SER HB3 H 1 3.90 0.03 . 1 . . . . 2 SER HB3 . 6918 1 7 . 1 1 2 2 SER CA C 13 58.45 0.40 . 1 . . . . 2 SER CA . 6918 1 8 . 1 1 2 2 SER CB C 13 63.90 0.40 . 1 . . . . 2 SER CB . 6918 1 9 . 1 1 3 3 MET HA H 1 4.53 0.03 . 1 . . . . 3 MET HA . 6918 1 10 . 1 1 3 3 MET HB2 H 1 2.02 0.03 . 1 . . . . 3 MET HB2 . 6918 1 11 . 1 1 3 3 MET HB3 H 1 2.02 0.03 . 1 . . . . 3 MET HB3 . 6918 1 12 . 1 1 3 3 MET HG2 H 1 2.57 0.03 . 1 . . . . 3 MET HG2 . 6918 1 13 . 1 1 3 3 MET HG3 H 1 2.57 0.03 . 1 . . . . 3 MET HG3 . 6918 1 14 . 1 1 3 3 MET HE1 H 1 2.09 0.03 . 1 . . . . 3 MET HE . 6918 1 15 . 1 1 3 3 MET HE2 H 1 2.09 0.03 . 1 . . . . 3 MET HE . 6918 1 16 . 1 1 3 3 MET HE3 H 1 2.09 0.03 . 1 . . . . 3 MET HE . 6918 1 17 . 1 1 3 3 MET CA C 13 55.60 0.40 . 1 . . . . 3 MET CA . 6918 1 18 . 1 1 3 3 MET CB C 13 32.90 0.40 . 1 . . . . 3 MET CB . 6918 1 19 . 1 1 3 3 MET CG C 13 32.20 0.40 . 1 . . . . 3 MET CG . 6918 1 20 . 1 1 3 3 MET CE C 13 17.10 0.40 . 1 . . . . 3 MET CE . 6918 1 21 . 1 1 4 4 SER HA H 1 4.53 0.03 . 1 . . . . 4 SER HA . 6918 1 22 . 1 1 4 4 SER HB2 H 1 3.90 0.03 . 1 . . . . 4 SER HB2 . 6918 1 23 . 1 1 4 4 SER HB3 H 1 3.90 0.03 . 1 . . . . 4 SER HB3 . 6918 1 24 . 1 1 4 4 SER CA C 13 58.45 0.40 . 1 . . . . 4 SER CA . 6918 1 25 . 1 1 4 4 SER CB C 13 63.65 0.40 . 1 . . . . 4 SER CB . 6918 1 26 . 1 1 5 5 TYR H H 1 8.17 0.03 . 1 . . . . 5 TYR H . 6918 1 27 . 1 1 5 5 TYR HA H 1 4.53 0.03 . 1 . . . . 5 TYR HA . 6918 1 28 . 1 1 5 5 TYR HB2 H 1 3.03 0.03 . 1 . . . . 5 TYR HB2 . 6918 1 29 . 1 1 5 5 TYR HB3 H 1 3.03 0.03 . 1 . . . . 5 TYR HB3 . 6918 1 30 . 1 1 5 5 TYR HD1 H 1 7.22 0.03 . 3 . . . . 5 TYR HD1 . 6918 1 31 . 1 1 5 5 TYR HE1 H 1 6.92 0.03 . 3 . . . . 5 TYR HE1 . 6918 1 32 . 1 1 5 5 TYR CA C 13 58.40 0.40 . 1 . . . . 5 TYR CA . 6918 1 33 . 1 1 5 5 TYR CB C 13 38.70 0.40 . 1 . . . . 5 TYR CB . 6918 1 34 . 1 1 5 5 TYR N N 15 122.60 0.20 . 1 . . . . 5 TYR N . 6918 1 35 . 1 1 6 6 LYS H H 1 8.04 0.03 . 1 . . . . 6 LYS H . 6918 1 36 . 1 1 6 6 LYS HA H 1 4.21 0.03 . 1 . . . . 6 LYS HA . 6918 1 37 . 1 1 6 6 LYS HB2 H 1 1.71 0.03 . 2 . . . . 6 LYS HB2 . 6918 1 38 . 1 1 6 6 LYS HB3 H 1 1.79 0.03 . 2 . . . . 6 LYS HB3 . 6918 1 39 . 1 1 6 6 LYS HG2 H 1 1.35 0.03 . 1 . . . . 6 LYS HG2 . 6918 1 40 . 1 1 6 6 LYS HG3 H 1 1.35 0.03 . 1 . . . . 6 LYS HG3 . 6918 1 41 . 1 1 6 6 LYS HD2 H 1 1.64 0.03 . 1 . . . . 6 LYS HD2 . 6918 1 42 . 1 1 6 6 LYS HD3 H 1 1.64 0.03 . 1 . . . . 6 LYS HD3 . 6918 1 43 . 1 1 6 6 LYS HE2 H 1 2.98 0.03 . 1 . . . . 6 LYS HE2 . 6918 1 44 . 1 1 6 6 LYS HE3 H 1 2.98 0.03 . 1 . . . . 6 LYS HE3 . 6918 1 45 . 1 1 6 6 LYS CA C 13 56.31 0.40 . 1 . . . . 6 LYS CA . 6918 1 46 . 1 1 6 6 LYS CB C 13 33.01 0.40 . 1 . . . . 6 LYS CB . 6918 1 47 . 1 1 6 6 LYS CG C 13 24.69 0.40 . 1 . . . . 6 LYS CG . 6918 1 48 . 1 1 6 6 LYS CD C 13 29.06 0.40 . 1 . . . . 6 LYS CD . 6918 1 49 . 1 1 6 6 LYS CE C 13 41.90 0.40 . 1 . . . . 6 LYS CE . 6918 1 50 . 1 1 6 6 LYS N N 15 123.03 0.20 . 1 . . . . 6 LYS N . 6918 1 51 . 1 1 7 7 ALA H H 1 8.18 0.03 . 1 . . . . 7 ALA H . 6918 1 52 . 1 1 7 7 ALA HA H 1 4.21 0.03 . 1 . . . . 7 ALA HA . 6918 1 53 . 1 1 7 7 ALA HB1 H 1 1.43 0.03 . 1 . . . . 7 ALA HB . 6918 1 54 . 1 1 7 7 ALA HB2 H 1 1.43 0.03 . 1 . . . . 7 ALA HB . 6918 1 55 . 1 1 7 7 ALA HB3 H 1 1.43 0.03 . 1 . . . . 7 ALA HB . 6918 1 56 . 1 1 7 7 ALA CA C 13 52.94 0.40 . 1 . . . . 7 ALA CA . 6918 1 57 . 1 1 7 7 ALA CB C 13 19.05 0.40 . 1 . . . . 7 ALA CB . 6918 1 58 . 1 1 7 7 ALA N N 15 124.57 0.20 . 1 . . . . 7 ALA N . 6918 1 59 . 1 1 8 8 LYS H H 1 8.26 0.03 . 1 . . . . 8 LYS H . 6918 1 60 . 1 1 8 8 LYS N N 15 119.92 0.20 . 1 . . . . 8 LYS N . 6918 1 61 . 1 1 9 9 THR H H 1 8.07 0.03 . 1 . . . . 9 THR H . 6918 1 62 . 1 1 9 9 THR HA H 1 4.31 0.03 . 1 . . . . 9 THR HA . 6918 1 63 . 1 1 9 9 THR HB H 1 4.20 0.03 . 1 . . . . 9 THR HB . 6918 1 64 . 1 1 9 9 THR HG21 H 1 1.21 0.03 . 1 . . . . 9 THR HG2 . 6918 1 65 . 1 1 9 9 THR HG22 H 1 1.21 0.03 . 1 . . . . 9 THR HG2 . 6918 1 66 . 1 1 9 9 THR HG23 H 1 1.21 0.03 . 1 . . . . 9 THR HG2 . 6918 1 67 . 1 1 9 9 THR CA C 13 62.50 0.40 . 1 . . . . 9 THR CA . 6918 1 68 . 1 1 9 9 THR CB C 13 69.70 0.40 . 1 . . . . 9 THR CB . 6918 1 69 . 1 1 9 9 THR CG2 C 13 21.65 0.40 . 1 . . . . 9 THR CG2 . 6918 1 70 . 1 1 9 9 THR N N 15 115.74 0.20 . 1 . . . . 9 THR N . 6918 1 71 . 1 1 10 10 VAL H H 1 8.13 0.03 . 1 . . . . 10 VAL H . 6918 1 72 . 1 1 10 10 VAL HA H 1 4.14 0.03 . 1 . . . . 10 VAL HA . 6918 1 73 . 1 1 10 10 VAL HB H 1 2.13 0.03 . 1 . . . . 10 VAL HB . 6918 1 74 . 1 1 10 10 VAL HG11 H 1 0.97 0.03 . 1 . . . . 10 VAL HG1 . 6918 1 75 . 1 1 10 10 VAL HG12 H 1 0.97 0.03 . 1 . . . . 10 VAL HG1 . 6918 1 76 . 1 1 10 10 VAL HG13 H 1 0.97 0.03 . 1 . . . . 10 VAL HG1 . 6918 1 77 . 1 1 10 10 VAL HG21 H 1 0.97 0.03 . 1 . . . . 10 VAL HG2 . 6918 1 78 . 1 1 10 10 VAL HG22 H 1 0.97 0.03 . 1 . . . . 10 VAL HG2 . 6918 1 79 . 1 1 10 10 VAL HG23 H 1 0.97 0.03 . 1 . . . . 10 VAL HG2 . 6918 1 80 . 1 1 10 10 VAL CA C 13 62.92 0.40 . 1 . . . . 10 VAL CA . 6918 1 81 . 1 1 10 10 VAL CB C 13 32.60 0.40 . 1 . . . . 10 VAL CB . 6918 1 82 . 1 1 10 10 VAL CG1 C 13 21.20 0.40 . 1 . . . . 10 VAL CG1 . 6918 1 83 . 1 1 10 10 VAL CG2 C 13 21.20 0.40 . 1 . . . . 10 VAL CG2 . 6918 1 84 . 1 1 10 10 VAL N N 15 122.93 0.20 . 1 . . . . 10 VAL N . 6918 1 85 . 1 1 11 11 VAL H H 1 8.17 0.03 . 1 . . . . 11 VAL H . 6918 1 86 . 1 1 11 11 VAL HA H 1 4.20 0.03 . 1 . . . . 11 VAL HA . 6918 1 87 . 1 1 11 11 VAL HB H 1 2.13 0.03 . 1 . . . . 11 VAL HB . 6918 1 88 . 1 1 11 11 VAL HG11 H 1 0.97 0.03 . 1 . . . . 11 VAL HG1 . 6918 1 89 . 1 1 11 11 VAL HG12 H 1 0.97 0.03 . 1 . . . . 11 VAL HG1 . 6918 1 90 . 1 1 11 11 VAL HG13 H 1 0.97 0.03 . 1 . . . . 11 VAL HG1 . 6918 1 91 . 1 1 11 11 VAL HG21 H 1 0.97 0.03 . 1 . . . . 11 VAL HG2 . 6918 1 92 . 1 1 11 11 VAL HG22 H 1 0.97 0.03 . 1 . . . . 11 VAL HG2 . 6918 1 93 . 1 1 11 11 VAL HG23 H 1 0.97 0.03 . 1 . . . . 11 VAL HG2 . 6918 1 94 . 1 1 11 11 VAL CA C 13 62.90 0.40 . 1 . . . . 11 VAL CA . 6918 1 95 . 1 1 11 11 VAL CB C 13 32.85 0.40 . 1 . . . . 11 VAL CB . 6918 1 96 . 1 1 11 11 VAL CG1 C 13 21.00 0.40 . 1 . . . . 11 VAL CG1 . 6918 1 97 . 1 1 11 11 VAL CG2 C 13 21.00 0.40 . 1 . . . . 11 VAL CG2 . 6918 1 98 . 1 1 11 11 VAL N N 15 122.93 0.20 . 1 . . . . 11 VAL N . 6918 1 99 . 1 1 12 12 SER H H 1 8.31 0.03 . 1 . . . . 12 SER H . 6918 1 100 . 1 1 12 12 SER HA H 1 4.42 0.03 . 1 . . . . 12 SER HA . 6918 1 101 . 1 1 12 12 SER HB2 H 1 3.84 0.03 . 1 . . . . 12 SER HB2 . 6918 1 102 . 1 1 12 12 SER HB3 H 1 3.84 0.03 . 1 . . . . 12 SER HB3 . 6918 1 103 . 1 1 12 12 SER CA C 13 58.55 0.40 . 1 . . . . 12 SER CA . 6918 1 104 . 1 1 12 12 SER CB C 13 63.62 0.40 . 1 . . . . 12 SER CB . 6918 1 105 . 1 1 12 12 SER N N 15 119.03 0.20 . 1 . . . . 12 SER N . 6918 1 106 . 1 1 13 13 ALA H H 1 8.26 0.03 . 1 . . . . 13 ALA H . 6918 1 107 . 1 1 13 13 ALA HA H 1 4.37 0.03 . 1 . . . . 13 ALA HA . 6918 1 108 . 1 1 13 13 ALA HB1 H 1 1.44 0.03 . 1 . . . . 13 ALA HB . 6918 1 109 . 1 1 13 13 ALA HB2 H 1 1.44 0.03 . 1 . . . . 13 ALA HB . 6918 1 110 . 1 1 13 13 ALA HB3 H 1 1.44 0.03 . 1 . . . . 13 ALA HB . 6918 1 111 . 1 1 13 13 ALA C C 13 177.59 0.40 . 1 . . . . 13 ALA C . 6918 1 112 . 1 1 13 13 ALA CA C 13 52.90 0.40 . 1 . . . . 13 ALA CA . 6918 1 113 . 1 1 13 13 ALA CB C 13 19.20 0.40 . 1 . . . . 13 ALA CB . 6918 1 114 . 1 1 13 13 ALA N N 15 126.03 0.20 . 1 . . . . 13 ALA N . 6918 1 115 . 1 1 14 14 ARG H H 1 8.21 0.03 . 1 . . . . 14 ARG H . 6918 1 116 . 1 1 14 14 ARG HA H 1 4.34 0.03 . 1 . . . . 14 ARG HA . 6918 1 117 . 1 1 14 14 ARG HB2 H 1 1.80 0.03 . 2 . . . . 14 ARG HB2 . 6918 1 118 . 1 1 14 14 ARG HB3 H 1 1.90 0.03 . 2 . . . . 14 ARG HB3 . 6918 1 119 . 1 1 14 14 ARG HG2 H 1 1.66 0.03 . 1 . . . . 14 ARG HG2 . 6918 1 120 . 1 1 14 14 ARG HG3 H 1 1.66 0.03 . 1 . . . . 14 ARG HG3 . 6918 1 121 . 1 1 14 14 ARG HD2 H 1 3.25 0.03 . 1 . . . . 14 ARG HD2 . 6918 1 122 . 1 1 14 14 ARG HD3 H 1 3.25 0.03 . 1 . . . . 14 ARG HD3 . 6918 1 123 . 1 1 14 14 ARG CA C 13 56.32 0.40 . 1 . . . . 14 ARG CA . 6918 1 124 . 1 1 14 14 ARG CB C 13 30.70 0.40 . 1 . . . . 14 ARG CB . 6918 1 125 . 1 1 14 14 ARG CG C 13 27.11 0.40 . 1 . . . . 14 ARG CG . 6918 1 126 . 1 1 14 14 ARG CD C 13 43.33 0.40 . 1 . . . . 14 ARG CD . 6918 1 127 . 1 1 14 14 ARG N N 15 119.71 0.20 . 1 . . . . 14 ARG N . 6918 1 128 . 1 1 15 15 ARG H H 1 8.39 0.03 . 1 . . . . 15 ARG H . 6918 1 129 . 1 1 15 15 ARG HA H 1 4.34 0.03 . 1 . . . . 15 ARG HA . 6918 1 130 . 1 1 15 15 ARG HB2 H 1 1.82 0.03 . 2 . . . . 15 ARG HB2 . 6918 1 131 . 1 1 15 15 ARG HB3 H 1 1.90 0.03 . 2 . . . . 15 ARG HB3 . 6918 1 132 . 1 1 15 15 ARG HG2 H 1 1.66 0.03 . 1 . . . . 15 ARG HG2 . 6918 1 133 . 1 1 15 15 ARG HG3 H 1 1.66 0.03 . 1 . . . . 15 ARG HG3 . 6918 1 134 . 1 1 15 15 ARG HD2 H 1 3.23 0.03 . 1 . . . . 15 ARG HD2 . 6918 1 135 . 1 1 15 15 ARG HD3 H 1 3.23 0.03 . 1 . . . . 15 ARG HD3 . 6918 1 136 . 1 1 15 15 ARG C C 13 176.04 0.40 . 1 . . . . 15 ARG C . 6918 1 137 . 1 1 15 15 ARG CA C 13 56.50 0.40 . 1 . . . . 15 ARG CA . 6918 1 138 . 1 1 15 15 ARG CB C 13 30.77 0.40 . 1 . . . . 15 ARG CB . 6918 1 139 . 1 1 15 15 ARG CG C 13 27.02 0.40 . 1 . . . . 15 ARG CG . 6918 1 140 . 1 1 15 15 ARG CD C 13 43.38 0.40 . 1 . . . . 15 ARG CD . 6918 1 141 . 1 1 15 15 ARG N N 15 122.00 0.20 . 1 . . . . 15 ARG N . 6918 1 142 . 1 1 16 16 ASP H H 1 8.36 0.03 . 1 . . . . 16 ASP H . 6918 1 143 . 1 1 16 16 ASP HA H 1 4.62 0.03 . 1 . . . . 16 ASP HA . 6918 1 144 . 1 1 16 16 ASP HB2 H 1 2.71 0.03 . 1 . . . . 16 ASP HB2 . 6918 1 145 . 1 1 16 16 ASP HB3 H 1 2.71 0.03 . 1 . . . . 16 ASP HB3 . 6918 1 146 . 1 1 16 16 ASP C C 13 176.22 0.40 . 1 . . . . 16 ASP C . 6918 1 147 . 1 1 16 16 ASP CA C 13 54.32 0.40 . 1 . . . . 16 ASP CA . 6918 1 148 . 1 1 16 16 ASP CB C 13 41.03 0.40 . 1 . . . . 16 ASP CB . 6918 1 149 . 1 1 16 16 ASP N N 15 120.87 0.20 . 1 . . . . 16 ASP N . 6918 1 150 . 1 1 17 17 GLN H H 1 8.25 0.03 . 1 . . . . 17 GLN H . 6918 1 151 . 1 1 17 17 GLN HA H 1 4.33 0.03 . 1 . . . . 17 GLN HA . 6918 1 152 . 1 1 17 17 GLN HB2 H 1 2.02 0.03 . 2 . . . . 17 GLN HB2 . 6918 1 153 . 1 1 17 17 GLN HB3 H 1 2.19 0.03 . 2 . . . . 17 GLN HB3 . 6918 1 154 . 1 1 17 17 GLN HG2 H 1 2.40 0.03 . 1 . . . . 17 GLN HG2 . 6918 1 155 . 1 1 17 17 GLN HG3 H 1 2.40 0.03 . 1 . . . . 17 GLN HG3 . 6918 1 156 . 1 1 17 17 GLN HE21 H 1 7.54 0.03 . 9 . . . . 17 GLN HE21 . 6918 1 157 . 1 1 17 17 GLN HE22 H 1 6.87 0.03 . 9 . . . . 17 GLN HE22 . 6918 1 158 . 1 1 17 17 GLN C C 13 176.08 0.40 . 1 . . . . 17 GLN C . 6918 1 159 . 1 1 17 17 GLN CA C 13 56.20 0.40 . 1 . . . . 17 GLN CA . 6918 1 160 . 1 1 17 17 GLN CB C 13 29.27 0.40 . 1 . . . . 17 GLN CB . 6918 1 161 . 1 1 17 17 GLN CG C 13 33.78 0.40 . 1 . . . . 17 GLN CG . 6918 1 162 . 1 1 17 17 GLN N N 15 120.65 0.20 . 1 . . . . 17 GLN N . 6918 1 163 . 1 1 17 17 GLN NE2 N 15 112.30 0.03 . 1 . . . . 17 GLN NE2 . 6918 1 164 . 1 1 18 18 LYS H H 1 8.35 0.03 . 1 . . . . 18 LYS H . 6918 1 165 . 1 1 18 18 LYS HA H 1 4.32 0.03 . 1 . . . . 18 LYS HA . 6918 1 166 . 1 1 18 18 LYS HB2 H 1 1.85 0.03 . 1 . . . . 18 LYS HB2 . 6918 1 167 . 1 1 18 18 LYS HB3 H 1 1.85 0.03 . 1 . . . . 18 LYS HB3 . 6918 1 168 . 1 1 18 18 LYS HG2 H 1 1.47 0.03 . 1 . . . . 18 LYS HG2 . 6918 1 169 . 1 1 18 18 LYS HG3 H 1 1.47 0.03 . 1 . . . . 18 LYS HG3 . 6918 1 170 . 1 1 18 18 LYS HD2 H 1 1.72 0.03 . 1 . . . . 18 LYS HD2 . 6918 1 171 . 1 1 18 18 LYS HD3 H 1 1.72 0.03 . 1 . . . . 18 LYS HD3 . 6918 1 172 . 1 1 18 18 LYS HE2 H 1 3.03 0.03 . 1 . . . . 18 LYS HE2 . 6918 1 173 . 1 1 18 18 LYS HE3 H 1 3.03 0.03 . 1 . . . . 18 LYS HE3 . 6918 1 174 . 1 1 18 18 LYS C C 13 176.65 0.40 . 1 . . . . 18 LYS C . 6918 1 175 . 1 1 18 18 LYS CA C 13 56.60 0.40 . 1 . . . . 18 LYS CA . 6918 1 176 . 1 1 18 18 LYS CB C 13 32.75 0.40 . 1 . . . . 18 LYS CB . 6918 1 177 . 1 1 18 18 LYS CG C 13 24.88 0.40 . 1 . . . . 18 LYS CG . 6918 1 178 . 1 1 18 18 LYS CD C 13 29.10 0.40 . 1 . . . . 18 LYS CD . 6918 1 179 . 1 1 18 18 LYS CE C 13 42.20 0.40 . 1 . . . . 18 LYS CE . 6918 1 180 . 1 1 18 18 LYS N N 15 122.00 0.20 . 1 . . . . 18 LYS N . 6918 1 181 . 1 1 19 19 LYS H H 1 8.28 0.03 . 1 . . . . 19 LYS H . 6918 1 182 . 1 1 19 19 LYS HA H 1 4.34 0.03 . 1 . . . . 19 LYS HA . 6918 1 183 . 1 1 19 19 LYS HB2 H 1 1.81 0.03 . 2 . . . . 19 LYS HB2 . 6918 1 184 . 1 1 19 19 LYS HB3 H 1 1.88 0.03 . 2 . . . . 19 LYS HB3 . 6918 1 185 . 1 1 19 19 LYS HG2 H 1 1.48 0.03 . 1 . . . . 19 LYS HG2 . 6918 1 186 . 1 1 19 19 LYS HG3 H 1 1.48 0.03 . 1 . . . . 19 LYS HG3 . 6918 1 187 . 1 1 19 19 LYS HD2 H 1 1.74 0.03 . 1 . . . . 19 LYS HD2 . 6918 1 188 . 1 1 19 19 LYS HD3 H 1 1.74 0.03 . 1 . . . . 19 LYS HD3 . 6918 1 189 . 1 1 19 19 LYS HE2 H 1 3.03 0.03 . 1 . . . . 19 LYS HE2 . 6918 1 190 . 1 1 19 19 LYS HE3 H 1 3.03 0.03 . 1 . . . . 19 LYS HE3 . 6918 1 191 . 1 1 19 19 LYS C C 13 177.01 0.40 . 1 . . . . 19 LYS C . 6918 1 192 . 1 1 19 19 LYS CA C 13 56.55 0.40 . 1 . . . . 19 LYS CA . 6918 1 193 . 1 1 19 19 LYS CB C 13 32.90 0.40 . 1 . . . . 19 LYS CB . 6918 1 194 . 1 1 19 19 LYS CG C 13 24.74 0.40 . 1 . . . . 19 LYS CG . 6918 1 195 . 1 1 19 19 LYS CD C 13 29.12 0.40 . 1 . . . . 19 LYS CD . 6918 1 196 . 1 1 19 19 LYS CE C 13 42.21 0.40 . 1 . . . . 19 LYS CE . 6918 1 197 . 1 1 19 19 LYS N N 15 121.70 0.20 . 1 . . . . 19 LYS N . 6918 1 198 . 1 1 20 20 GLY H H 1 8.39 0.03 . 1 . . . . 20 GLY H . 6918 1 199 . 1 1 20 20 GLY HA2 H 1 3.98 0.03 . 1 . . . . 20 GLY HA2 . 6918 1 200 . 1 1 20 20 GLY HA3 H 1 3.98 0.03 . 1 . . . . 20 GLY HA3 . 6918 1 201 . 1 1 20 20 GLY C C 13 173.84 0.40 . 1 . . . . 20 GLY C . 6918 1 202 . 1 1 20 20 GLY CA C 13 45.19 0.40 . 1 . . . . 20 GLY CA . 6918 1 203 . 1 1 20 20 GLY N N 15 110.10 0.20 . 1 . . . . 20 GLY N . 6918 1 204 . 1 1 21 21 ARG H H 1 8.21 0.03 . 1 . . . . 21 ARG H . 6918 1 205 . 1 1 21 21 ARG HA H 1 4.40 0.03 . 1 . . . . 21 ARG HA . 6918 1 206 . 1 1 21 21 ARG HB2 H 1 1.82 0.03 . 2 . . . . 21 ARG HB2 . 6918 1 207 . 1 1 21 21 ARG HB3 H 1 1.90 0.03 . 2 . . . . 21 ARG HB3 . 6918 1 208 . 1 1 21 21 ARG HG2 H 1 1.65 0.03 . 1 . . . . 21 ARG HG2 . 6918 1 209 . 1 1 21 21 ARG HG3 H 1 1.65 0.03 . 1 . . . . 21 ARG HG3 . 6918 1 210 . 1 1 21 21 ARG HD2 H 1 3.22 0.03 . 1 . . . . 21 ARG HD2 . 6918 1 211 . 1 1 21 21 ARG HD3 H 1 3.22 0.03 . 1 . . . . 21 ARG HD3 . 6918 1 212 . 1 1 21 21 ARG C C 13 176.39 0.40 . 1 . . . . 21 ARG C . 6918 1 213 . 1 1 21 21 ARG CA C 13 56.09 0.40 . 1 . . . . 21 ARG CA . 6918 1 214 . 1 1 21 21 ARG CB C 13 30.94 0.40 . 1 . . . . 21 ARG CB . 6918 1 215 . 1 1 21 21 ARG CG C 13 27.00 0.40 . 1 . . . . 21 ARG CG . 6918 1 216 . 1 1 21 21 ARG CD C 13 43.26 0.40 . 1 . . . . 21 ARG CD . 6918 1 217 . 1 1 21 21 ARG N N 15 121.00 0.20 . 1 . . . . 21 ARG N . 6918 1 218 . 1 1 22 22 VAL H H 1 8.21 0.03 . 1 . . . . 22 VAL H . 6918 1 219 . 1 1 22 22 VAL HA H 1 4.18 0.03 . 1 . . . . 22 VAL HA . 6918 1 220 . 1 1 22 22 VAL HB H 1 2.13 0.03 . 1 . . . . 22 VAL HB . 6918 1 221 . 1 1 22 22 VAL HG11 H 1 0.98 0.03 . 1 . . . . 22 VAL HG1 . 6918 1 222 . 1 1 22 22 VAL HG12 H 1 0.98 0.03 . 1 . . . . 22 VAL HG1 . 6918 1 223 . 1 1 22 22 VAL HG13 H 1 0.98 0.03 . 1 . . . . 22 VAL HG1 . 6918 1 224 . 1 1 22 22 VAL HG21 H 1 0.98 0.03 . 1 . . . . 22 VAL HG2 . 6918 1 225 . 1 1 22 22 VAL HG22 H 1 0.98 0.03 . 1 . . . . 22 VAL HG2 . 6918 1 226 . 1 1 22 22 VAL HG23 H 1 0.98 0.03 . 1 . . . . 22 VAL HG2 . 6918 1 227 . 1 1 22 22 VAL C C 13 176.32 0.40 . 1 . . . . 22 VAL C . 6918 1 228 . 1 1 22 22 VAL CA C 13 62.26 0.40 . 1 . . . . 22 VAL CA . 6918 1 229 . 1 1 22 22 VAL CB C 13 32.85 0.40 . 1 . . . . 22 VAL CB . 6918 1 230 . 1 1 22 22 VAL CG1 C 13 20.75 0.40 . 1 . . . . 22 VAL CG1 . 6918 1 231 . 1 1 22 22 VAL CG2 C 13 20.75 0.40 . 1 . . . . 22 VAL CG2 . 6918 1 232 . 1 1 22 22 VAL N N 15 121.29 0.20 . 1 . . . . 22 VAL N . 6918 1 233 . 1 1 23 23 GLY H H 1 8.39 0.03 . 1 . . . . 23 GLY H . 6918 1 234 . 1 1 23 23 GLY HA2 H 1 3.93 0.03 . 2 . . . . 23 GLY HA2 . 6918 1 235 . 1 1 23 23 GLY HA3 H 1 4.03 0.03 . 2 . . . . 23 GLY HA3 . 6918 1 236 . 1 1 23 23 GLY C C 13 173.53 0.40 . 1 . . . . 23 GLY C . 6918 1 237 . 1 1 23 23 GLY CA C 13 44.90 0.40 . 1 . . . . 23 GLY CA . 6918 1 238 . 1 1 23 23 GLY N N 15 112.24 0.20 . 1 . . . . 23 GLY N . 6918 1 239 . 1 1 24 24 LEU H H 1 8.07 0.03 . 1 . . . . 24 LEU H . 6918 1 240 . 1 1 24 24 LEU HA H 1 4.65 0.03 . 1 . . . . 24 LEU HA . 6918 1 241 . 1 1 24 24 LEU HB2 H 1 1.60 0.03 . 1 . . . . 24 LEU HB2 . 6918 1 242 . 1 1 24 24 LEU HB3 H 1 1.60 0.03 . 1 . . . . 24 LEU HB3 . 6918 1 243 . 1 1 24 24 LEU HG H 1 1.72 0.03 . 1 . . . . 24 LEU HG . 6918 1 244 . 1 1 24 24 LEU HD11 H 1 0.86 0.03 . 1 . . . . 24 LEU HD1 . 6918 1 245 . 1 1 24 24 LEU HD12 H 1 0.86 0.03 . 1 . . . . 24 LEU HD1 . 6918 1 246 . 1 1 24 24 LEU HD13 H 1 0.86 0.03 . 1 . . . . 24 LEU HD1 . 6918 1 247 . 1 1 24 24 LEU HD21 H 1 0.84 0.03 . 1 . . . . 24 LEU HD2 . 6918 1 248 . 1 1 24 24 LEU HD22 H 1 0.84 0.03 . 1 . . . . 24 LEU HD2 . 6918 1 249 . 1 1 24 24 LEU HD23 H 1 0.84 0.03 . 1 . . . . 24 LEU HD2 . 6918 1 250 . 1 1 24 24 LEU C C 13 178.14 0.40 . 1 . . . . 24 LEU C . 6918 1 251 . 1 1 24 24 LEU CA C 13 54.60 0.40 . 1 . . . . 24 LEU CA . 6918 1 252 . 1 1 24 24 LEU CB C 13 43.87 0.40 . 1 . . . . 24 LEU CB . 6918 1 253 . 1 1 24 24 LEU CG C 13 27.10 0.40 . 1 . . . . 24 LEU CG . 6918 1 254 . 1 1 24 24 LEU CD1 C 13 26.20 0.40 . 1 . . . . 24 LEU CD1 . 6918 1 255 . 1 1 24 24 LEU CD2 C 13 24.12 0.40 . 1 . . . . 24 LEU CD2 . 6918 1 256 . 1 1 24 24 LEU N N 15 121.68 0.20 . 1 . . . . 24 LEU N . 6918 1 257 . 1 1 25 25 THR H H 1 8.72 0.03 . 1 . . . . 25 THR H . 6918 1 258 . 1 1 25 25 THR HA H 1 4.55 0.03 . 1 . . . . 25 THR HA . 6918 1 259 . 1 1 25 25 THR HB H 1 4.81 0.03 . 1 . . . . 25 THR HB . 6918 1 260 . 1 1 25 25 THR HG21 H 1 1.37 0.03 . 1 . . . . 25 THR HG2 . 6918 1 261 . 1 1 25 25 THR HG22 H 1 1.37 0.03 . 1 . . . . 25 THR HG2 . 6918 1 262 . 1 1 25 25 THR HG23 H 1 1.37 0.03 . 1 . . . . 25 THR HG2 . 6918 1 263 . 1 1 25 25 THR C C 13 175.69 0.40 . 1 . . . . 25 THR C . 6918 1 264 . 1 1 25 25 THR CA C 13 60.60 0.40 . 1 . . . . 25 THR CA . 6918 1 265 . 1 1 25 25 THR CB C 13 71.10 0.40 . 1 . . . . 25 THR CB . 6918 1 266 . 1 1 25 25 THR CG2 C 13 21.80 0.40 . 1 . . . . 25 THR CG2 . 6918 1 267 . 1 1 25 25 THR N N 15 114.50 0.20 . 1 . . . . 25 THR N . 6918 1 268 . 1 1 26 26 GLU H H 1 9.06 0.03 . 1 . . . . 26 GLU H . 6918 1 269 . 1 1 26 26 GLU HA H 1 4.06 0.03 . 1 . . . . 26 GLU HA . 6918 1 270 . 1 1 26 26 GLU HB2 H 1 2.10 0.03 . 1 . . . . 26 GLU HB2 . 6918 1 271 . 1 1 26 26 GLU HB3 H 1 2.10 0.03 . 1 . . . . 26 GLU HB3 . 6918 1 272 . 1 1 26 26 GLU HG2 H 1 2.43 0.03 . 1 . . . . 26 GLU HG2 . 6918 1 273 . 1 1 26 26 GLU HG3 H 1 2.43 0.03 . 1 . . . . 26 GLU HG3 . 6918 1 274 . 1 1 26 26 GLU C C 13 179.30 0.40 . 1 . . . . 26 GLU C . 6918 1 275 . 1 1 26 26 GLU CA C 13 59.65 0.40 . 1 . . . . 26 GLU CA . 6918 1 276 . 1 1 26 26 GLU CB C 13 28.89 0.40 . 1 . . . . 26 GLU CB . 6918 1 277 . 1 1 26 26 GLU CG C 13 36.50 0.40 . 1 . . . . 26 GLU CG . 6918 1 278 . 1 1 26 26 GLU N N 15 121.21 0.20 . 1 . . . . 26 GLU N . 6918 1 279 . 1 1 27 27 GLU H H 1 8.83 0.03 . 1 . . . . 27 GLU H . 6918 1 280 . 1 1 27 27 GLU HA H 1 4.11 0.03 . 1 . . . . 27 GLU HA . 6918 1 281 . 1 1 27 27 GLU HB2 H 1 2.02 0.03 . 2 . . . . 27 GLU HB2 . 6918 1 282 . 1 1 27 27 GLU HB3 H 1 2.11 0.03 . 2 . . . . 27 GLU HB3 . 6918 1 283 . 1 1 27 27 GLU HG2 H 1 2.36 0.03 . 2 . . . . 27 GLU HG2 . 6918 1 284 . 1 1 27 27 GLU HG3 H 1 2.44 0.03 . 2 . . . . 27 GLU HG3 . 6918 1 285 . 1 1 27 27 GLU C C 13 179.46 0.40 . 1 . . . . 27 GLU C . 6918 1 286 . 1 1 27 27 GLU CA C 13 60.10 0.40 . 1 . . . . 27 GLU CA . 6918 1 287 . 1 1 27 27 GLU CB C 13 29.10 0.40 . 1 . . . . 27 GLU CB . 6918 1 288 . 1 1 27 27 GLU CG C 13 37.04 0.40 . 1 . . . . 27 GLU CG . 6918 1 289 . 1 1 27 27 GLU N N 15 119.40 0.20 . 1 . . . . 27 GLU N . 6918 1 290 . 1 1 28 28 GLN H H 1 7.85 0.03 . 1 . . . . 28 GLN H . 6918 1 291 . 1 1 28 28 GLN HA H 1 4.18 0.03 . 1 . . . . 28 GLN HA . 6918 1 292 . 1 1 28 28 GLN HB2 H 1 1.97 0.03 . 2 . . . . 28 GLN HB2 . 6918 1 293 . 1 1 28 28 GLN HB3 H 1 2.42 0.03 . 2 . . . . 28 GLN HB3 . 6918 1 294 . 1 1 28 28 GLN HG2 H 1 2.49 0.03 . 1 . . . . 28 GLN HG2 . 6918 1 295 . 1 1 28 28 GLN HG3 H 1 2.49 0.03 . 1 . . . . 28 GLN HG3 . 6918 1 296 . 1 1 28 28 GLN HE21 H 1 7.60 0.03 . 9 . . . . 28 GLN HE21 . 6918 1 297 . 1 1 28 28 GLN HE22 H 1 6.78 0.03 . 9 . . . . 28 GLN HE22 . 6918 1 298 . 1 1 28 28 GLN C C 13 179.16 0.40 . 1 . . . . 28 GLN C . 6918 1 299 . 1 1 28 28 GLN CA C 13 58.63 0.40 . 1 . . . . 28 GLN CA . 6918 1 300 . 1 1 28 28 GLN CB C 13 29.42 0.40 . 1 . . . . 28 GLN CB . 6918 1 301 . 1 1 28 28 GLN CG C 13 34.80 0.40 . 1 . . . . 28 GLN CG . 6918 1 302 . 1 1 28 28 GLN N N 15 120.06 0.20 . 1 . . . . 28 GLN N . 6918 1 303 . 1 1 28 28 GLN NE2 N 15 111.00 0.03 . 1 . . . . 28 GLN NE2 . 6918 1 304 . 1 1 29 29 LYS H H 1 8.43 0.03 . 1 . . . . 29 LYS H . 6918 1 305 . 1 1 29 29 LYS HA H 1 3.90 0.03 . 1 . . . . 29 LYS HA . 6918 1 306 . 1 1 29 29 LYS HB2 H 1 2.02 0.03 . 1 . . . . 29 LYS HB2 . 6918 1 307 . 1 1 29 29 LYS HB3 H 1 2.02 0.03 . 1 . . . . 29 LYS HB3 . 6918 1 308 . 1 1 29 29 LYS HG2 H 1 1.68 0.03 . 2 . . . . 29 LYS HG2 . 6918 1 309 . 1 1 29 29 LYS HG3 H 1 1.45 0.03 . 2 . . . . 29 LYS HG3 . 6918 1 310 . 1 1 29 29 LYS HD2 H 1 1.78 0.03 . 1 . . . . 29 LYS HD2 . 6918 1 311 . 1 1 29 29 LYS HD3 H 1 1.78 0.03 . 1 . . . . 29 LYS HD3 . 6918 1 312 . 1 1 29 29 LYS HE2 H 1 2.95 0.03 . 1 . . . . 29 LYS HE2 . 6918 1 313 . 1 1 29 29 LYS HE3 H 1 2.95 0.03 . 1 . . . . 29 LYS HE3 . 6918 1 314 . 1 1 29 29 LYS C C 13 178.65 0.40 . 1 . . . . 29 LYS C . 6918 1 315 . 1 1 29 29 LYS CA C 13 60.85 0.40 . 1 . . . . 29 LYS CA . 6918 1 316 . 1 1 29 29 LYS CB C 13 32.25 0.40 . 1 . . . . 29 LYS CB . 6918 1 317 . 1 1 29 29 LYS CG C 13 26.48 0.40 . 1 . . . . 29 LYS CG . 6918 1 318 . 1 1 29 29 LYS CD C 13 29.70 0.40 . 1 . . . . 29 LYS CD . 6918 1 319 . 1 1 29 29 LYS CE C 13 42.00 0.40 . 1 . . . . 29 LYS CE . 6918 1 320 . 1 1 29 29 LYS N N 15 119.47 0.20 . 1 . . . . 29 LYS N . 6918 1 321 . 1 1 30 30 GLN H H 1 8.18 0.03 . 1 . . . . 30 GLN H . 6918 1 322 . 1 1 30 30 GLN HA H 1 4.13 0.03 . 1 . . . . 30 GLN HA . 6918 1 323 . 1 1 30 30 GLN HB2 H 1 2.22 0.03 . 2 . . . . 30 GLN HB2 . 6918 1 324 . 1 1 30 30 GLN HB3 H 1 2.27 0.03 . 2 . . . . 30 GLN HB3 . 6918 1 325 . 1 1 30 30 GLN HG2 H 1 2.50 0.03 . 1 . . . . 30 GLN HG2 . 6918 1 326 . 1 1 30 30 GLN HG3 H 1 2.50 0.03 . 1 . . . . 30 GLN HG3 . 6918 1 327 . 1 1 30 30 GLN HE21 H 1 7.79 0.03 . 9 . . . . 30 GLN HE21 . 6918 1 328 . 1 1 30 30 GLN HE22 H 1 6.84 0.03 . 9 . . . . 30 GLN HE22 . 6918 1 329 . 1 1 30 30 GLN C C 13 178.19 0.40 . 1 . . . . 30 GLN C . 6918 1 330 . 1 1 30 30 GLN CA C 13 58.60 0.40 . 1 . . . . 30 GLN CA . 6918 1 331 . 1 1 30 30 GLN CB C 13 27.65 0.40 . 1 . . . . 30 GLN CB . 6918 1 332 . 1 1 30 30 GLN CG C 13 33.22 0.40 . 1 . . . . 30 GLN CG . 6918 1 333 . 1 1 30 30 GLN N N 15 119.20 0.20 . 1 . . . . 30 GLN N . 6918 1 334 . 1 1 30 30 GLN NE2 N 15 112.32 0.03 . 1 . . . . 30 GLN NE2 . 6918 1 335 . 1 1 31 31 GLU H H 1 7.89 0.03 . 1 . . . . 31 GLU H . 6918 1 336 . 1 1 31 31 GLU HA H 1 4.16 0.03 . 1 . . . . 31 GLU HA . 6918 1 337 . 1 1 31 31 GLU HB2 H 1 2.18 0.03 . 2 . . . . 31 GLU HB2 . 6918 1 338 . 1 1 31 31 GLU HB3 H 1 2.32 0.03 . 2 . . . . 31 GLU HB3 . 6918 1 339 . 1 1 31 31 GLU HG2 H 1 2.35 0.03 . 2 . . . . 31 GLU HG2 . 6918 1 340 . 1 1 31 31 GLU HG3 H 1 2.56 0.03 . 2 . . . . 31 GLU HG3 . 6918 1 341 . 1 1 31 31 GLU C C 13 179.93 0.40 . 1 . . . . 31 GLU C . 6918 1 342 . 1 1 31 31 GLU CA C 13 59.60 0.40 . 1 . . . . 31 GLU CA . 6918 1 343 . 1 1 31 31 GLU CB C 13 29.60 0.40 . 1 . . . . 31 GLU CB . 6918 1 344 . 1 1 31 31 GLU CG C 13 36.53 0.40 . 1 . . . . 31 GLU CG . 6918 1 345 . 1 1 31 31 GLU N N 15 120.27 0.20 . 1 . . . . 31 GLU N . 6918 1 346 . 1 1 32 32 ILE H H 1 8.08 0.03 . 1 . . . . 32 ILE H . 6918 1 347 . 1 1 32 32 ILE HA H 1 3.99 0.03 . 1 . . . . 32 ILE HA . 6918 1 348 . 1 1 32 32 ILE HB H 1 2.17 0.03 . 1 . . . . 32 ILE HB . 6918 1 349 . 1 1 32 32 ILE HG12 H 1 1.09 0.03 . 1 . . . . 32 ILE HG12 . 6918 1 350 . 1 1 32 32 ILE HG13 H 1 1.98 0.03 . 1 . . . . 32 ILE HG13 . 6918 1 351 . 1 1 32 32 ILE HG21 H 1 1.24 0.03 . 1 . . . . 32 ILE HG2 . 6918 1 352 . 1 1 32 32 ILE HG22 H 1 1.24 0.03 . 1 . . . . 32 ILE HG2 . 6918 1 353 . 1 1 32 32 ILE HG23 H 1 1.24 0.03 . 1 . . . . 32 ILE HG2 . 6918 1 354 . 1 1 32 32 ILE HD11 H 1 0.80 0.03 . 1 . . . . 32 ILE HD1 . 6918 1 355 . 1 1 32 32 ILE HD12 H 1 0.80 0.03 . 1 . . . . 32 ILE HD1 . 6918 1 356 . 1 1 32 32 ILE HD13 H 1 0.80 0.03 . 1 . . . . 32 ILE HD1 . 6918 1 357 . 1 1 32 32 ILE C C 13 178.02 0.40 . 1 . . . . 32 ILE C . 6918 1 358 . 1 1 32 32 ILE CA C 13 65.30 0.40 . 1 . . . . 32 ILE CA . 6918 1 359 . 1 1 32 32 ILE CB C 13 37.70 0.40 . 1 . . . . 32 ILE CB . 6918 1 360 . 1 1 32 32 ILE CG1 C 13 30.00 0.40 . 1 . . . . 32 ILE CG1 . 6918 1 361 . 1 1 32 32 ILE CG2 C 13 19.06 0.40 . 1 . . . . 32 ILE CG2 . 6918 1 362 . 1 1 32 32 ILE CD1 C 13 13.85 0.40 . 1 . . . . 32 ILE CD1 . 6918 1 363 . 1 1 32 32 ILE N N 15 121.10 0.20 . 1 . . . . 32 ILE N . 6918 1 364 . 1 1 33 33 ARG H H 1 8.57 0.03 . 1 . . . . 33 ARG H . 6918 1 365 . 1 1 33 33 ARG HA H 1 4.18 0.03 . 1 . . . . 33 ARG HA . 6918 1 366 . 1 1 33 33 ARG HB2 H 1 1.71 0.03 . 2 . . . . 33 ARG HB2 . 6918 1 367 . 1 1 33 33 ARG HB3 H 1 2.08 0.03 . 2 . . . . 33 ARG HB3 . 6918 1 368 . 1 1 33 33 ARG HG2 H 1 1.60 0.03 . 2 . . . . 33 ARG HG2 . 6918 1 369 . 1 1 33 33 ARG HG3 H 1 1.40 0.03 . 2 . . . . 33 ARG HG3 . 6918 1 370 . 1 1 33 33 ARG HD2 H 1 2.60 0.03 . 2 . . . . 33 ARG HD2 . 6918 1 371 . 1 1 33 33 ARG HD3 H 1 2.53 0.03 . 2 . . . . 33 ARG HD3 . 6918 1 372 . 1 1 33 33 ARG C C 13 177.52 0.40 . 1 . . . . 33 ARG C . 6918 1 373 . 1 1 33 33 ARG CA C 13 58.60 0.40 . 1 . . . . 33 ARG CA . 6918 1 374 . 1 1 33 33 ARG CB C 13 28.86 0.40 . 1 . . . . 33 ARG CB . 6918 1 375 . 1 1 33 33 ARG CG C 13 25.68 0.40 . 1 . . . . 33 ARG CG . 6918 1 376 . 1 1 33 33 ARG CD C 13 42.03 0.40 . 1 . . . . 33 ARG CD . 6918 1 377 . 1 1 33 33 ARG N N 15 122.69 0.20 . 1 . . . . 33 ARG N . 6918 1 378 . 1 1 34 34 GLU H H 1 8.23 0.03 . 1 . . . . 34 GLU H . 6918 1 379 . 1 1 34 34 GLU HA H 1 4.12 0.03 . 1 . . . . 34 GLU HA . 6918 1 380 . 1 1 34 34 GLU HB2 H 1 2.08 0.03 . 2 . . . . 34 GLU HB2 . 6918 1 381 . 1 1 34 34 GLU HB3 H 1 2.21 0.03 . 2 . . . . 34 GLU HB3 . 6918 1 382 . 1 1 34 34 GLU HG2 H 1 2.31 0.03 . 2 . . . . 34 GLU HG2 . 6918 1 383 . 1 1 34 34 GLU HG3 H 1 2.56 0.03 . 2 . . . . 34 GLU HG3 . 6918 1 384 . 1 1 34 34 GLU C C 13 179.43 0.40 . 1 . . . . 34 GLU C . 6918 1 385 . 1 1 34 34 GLU CA C 13 59.40 0.40 . 1 . . . . 34 GLU CA . 6918 1 386 . 1 1 34 34 GLU CB C 13 29.20 0.40 . 1 . . . . 34 GLU CB . 6918 1 387 . 1 1 34 34 GLU CG C 13 36.67 0.40 . 1 . . . . 34 GLU CG . 6918 1 388 . 1 1 34 34 GLU N N 15 118.58 0.20 . 1 . . . . 34 GLU N . 6918 1 389 . 1 1 35 35 ALA H H 1 7.66 0.03 . 1 . . . . 35 ALA H . 6918 1 390 . 1 1 35 35 ALA HA H 1 3.98 0.03 . 1 . . . . 35 ALA HA . 6918 1 391 . 1 1 35 35 ALA HB1 H 1 1.70 0.03 . 1 . . . . 35 ALA HB . 6918 1 392 . 1 1 35 35 ALA HB2 H 1 1.70 0.03 . 1 . . . . 35 ALA HB . 6918 1 393 . 1 1 35 35 ALA HB3 H 1 1.70 0.03 . 1 . . . . 35 ALA HB . 6918 1 394 . 1 1 35 35 ALA C C 13 177.47 0.40 . 1 . . . . 35 ALA C . 6918 1 395 . 1 1 35 35 ALA CA C 13 54.96 0.40 . 1 . . . . 35 ALA CA . 6918 1 396 . 1 1 35 35 ALA CB C 13 17.46 0.40 . 1 . . . . 35 ALA CB . 6918 1 397 . 1 1 35 35 ALA N N 15 121.82 0.20 . 1 . . . . 35 ALA N . 6918 1 398 . 1 1 36 36 PHE H H 1 8.46 0.03 . 1 . . . . 36 PHE H . 6918 1 399 . 1 1 36 36 PHE HA H 1 3.18 0.03 . 1 . . . . 36 PHE HA . 6918 1 400 . 1 1 36 36 PHE HB2 H 1 3.00 0.03 . 1 . . . . 36 PHE HB2 . 6918 1 401 . 1 1 36 36 PHE HB3 H 1 3.37 0.03 . 1 . . . . 36 PHE HB3 . 6918 1 402 . 1 1 36 36 PHE HD1 H 1 6.76 0.03 . 3 . . . . 36 PHE HD1 . 6918 1 403 . 1 1 36 36 PHE HE1 H 1 7.04 0.03 . 3 . . . . 36 PHE HE1 . 6918 1 404 . 1 1 36 36 PHE HZ H 1 7.27 0.03 . 1 . . . . 36 PHE HZ . 6918 1 405 . 1 1 36 36 PHE C C 13 176.40 0.40 . 1 . . . . 36 PHE C . 6918 1 406 . 1 1 36 36 PHE CA C 13 62.05 0.40 . 1 . . . . 36 PHE CA . 6918 1 407 . 1 1 36 36 PHE CB C 13 39.40 0.40 . 1 . . . . 36 PHE CB . 6918 1 408 . 1 1 36 36 PHE N N 15 118.82 0.20 . 1 . . . . 36 PHE N . 6918 1 409 . 1 1 37 37 ASP H H 1 8.38 0.03 . 1 . . . . 37 ASP H . 6918 1 410 . 1 1 37 37 ASP HA H 1 4.28 0.03 . 1 . . . . 37 ASP HA . 6918 1 411 . 1 1 37 37 ASP HB2 H 1 2.66 0.03 . 1 . . . . 37 ASP HB2 . 6918 1 412 . 1 1 37 37 ASP HB3 H 1 2.66 0.03 . 1 . . . . 37 ASP HB3 . 6918 1 413 . 1 1 37 37 ASP C C 13 178.20 0.40 . 1 . . . . 37 ASP C . 6918 1 414 . 1 1 37 37 ASP CA C 13 57.11 0.40 . 1 . . . . 37 ASP CA . 6918 1 415 . 1 1 37 37 ASP CB C 13 40.00 0.40 . 1 . . . . 37 ASP CB . 6918 1 416 . 1 1 37 37 ASP N N 15 116.43 0.20 . 1 . . . . 37 ASP N . 6918 1 417 . 1 1 38 38 LEU H H 1 7.46 0.03 . 1 . . . . 38 LEU H . 6918 1 418 . 1 1 38 38 LEU HA H 1 3.98 0.03 . 1 . . . . 38 LEU HA . 6918 1 419 . 1 1 38 38 LEU HB2 H 1 1.52 0.03 . 1 . . . . 38 LEU HB2 . 6918 1 420 . 1 1 38 38 LEU HB3 H 1 1.52 0.03 . 1 . . . . 38 LEU HB3 . 6918 1 421 . 1 1 38 38 LEU HG H 1 1.36 0.03 . 1 . . . . 38 LEU HG . 6918 1 422 . 1 1 38 38 LEU HD11 H 1 0.82 0.03 . 1 . . . . 38 LEU HD1 . 6918 1 423 . 1 1 38 38 LEU HD12 H 1 0.82 0.03 . 1 . . . . 38 LEU HD1 . 6918 1 424 . 1 1 38 38 LEU HD13 H 1 0.82 0.03 . 1 . . . . 38 LEU HD1 . 6918 1 425 . 1 1 38 38 LEU HD21 H 1 0.71 0.03 . 1 . . . . 38 LEU HD2 . 6918 1 426 . 1 1 38 38 LEU HD22 H 1 0.71 0.03 . 1 . . . . 38 LEU HD2 . 6918 1 427 . 1 1 38 38 LEU HD23 H 1 0.71 0.03 . 1 . . . . 38 LEU HD2 . 6918 1 428 . 1 1 38 38 LEU C C 13 178.93 0.40 . 1 . . . . 38 LEU C . 6918 1 429 . 1 1 38 38 LEU CA C 13 57.20 0.40 . 1 . . . . 38 LEU CA . 6918 1 430 . 1 1 38 38 LEU CB C 13 41.67 0.40 . 1 . . . . 38 LEU CB . 6918 1 431 . 1 1 38 38 LEU CG C 13 26.43 0.40 . 1 . . . . 38 LEU CG . 6918 1 432 . 1 1 38 38 LEU CD1 C 13 24.12 0.40 . 1 . . . . 38 LEU CD1 . 6918 1 433 . 1 1 38 38 LEU CD2 C 13 24.80 0.40 . 1 . . . . 38 LEU CD2 . 6918 1 434 . 1 1 38 38 LEU N N 15 120.20 0.20 . 1 . . . . 38 LEU N . 6918 1 435 . 1 1 39 39 PHE H H 1 7.59 0.03 . 1 . . . . 39 PHE H . 6918 1 436 . 1 1 39 39 PHE HA H 1 4.63 0.03 . 1 . . . . 39 PHE HA . 6918 1 437 . 1 1 39 39 PHE HB2 H 1 2.73 0.03 . 1 . . . . 39 PHE HB2 . 6918 1 438 . 1 1 39 39 PHE HB3 H 1 2.90 0.03 . 1 . . . . 39 PHE HB3 . 6918 1 439 . 1 1 39 39 PHE HD1 H 1 7.20 0.03 . 3 . . . . 39 PHE HD1 . 6918 1 440 . 1 1 39 39 PHE HE1 H 1 7.34 0.03 . 3 . . . . 39 PHE HE1 . 6918 1 441 . 1 1 39 39 PHE C C 13 176.93 0.40 . 1 . . . . 39 PHE C . 6918 1 442 . 1 1 39 39 PHE CA C 13 57.40 0.40 . 1 . . . . 39 PHE CA . 6918 1 443 . 1 1 39 39 PHE CB C 13 38.90 0.40 . 1 . . . . 39 PHE CB . 6918 1 444 . 1 1 39 39 PHE N N 15 115.86 0.20 . 1 . . . . 39 PHE N . 6918 1 445 . 1 1 40 40 ASP H H 1 7.75 0.03 . 1 . . . . 40 ASP H . 6918 1 446 . 1 1 40 40 ASP HA H 1 4.57 0.03 . 1 . . . . 40 ASP HA . 6918 1 447 . 1 1 40 40 ASP HB2 H 1 1.61 0.03 . 1 . . . . 40 ASP HB2 . 6918 1 448 . 1 1 40 40 ASP HB3 H 1 2.56 0.03 . 1 . . . . 40 ASP HB3 . 6918 1 449 . 1 1 40 40 ASP C C 13 177.36 0.40 . 1 . . . . 40 ASP C . 6918 1 450 . 1 1 40 40 ASP CA C 13 52.17 0.40 . 1 . . . . 40 ASP CA . 6918 1 451 . 1 1 40 40 ASP CB C 13 38.90 0.40 . 1 . . . . 40 ASP CB . 6918 1 452 . 1 1 40 40 ASP N N 15 120.54 0.20 . 1 . . . . 40 ASP N . 6918 1 453 . 1 1 41 41 THR H H 1 7.93 0.03 . 1 . . . . 41 THR H . 6918 1 454 . 1 1 41 41 THR HA H 1 4.06 0.03 . 1 . . . . 41 THR HA . 6918 1 455 . 1 1 41 41 THR HB H 1 4.37 0.03 . 1 . . . . 41 THR HB . 6918 1 456 . 1 1 41 41 THR HG21 H 1 1.40 0.03 . 1 . . . . 41 THR HG2 . 6918 1 457 . 1 1 41 41 THR HG22 H 1 1.40 0.03 . 1 . . . . 41 THR HG2 . 6918 1 458 . 1 1 41 41 THR HG23 H 1 1.40 0.03 . 1 . . . . 41 THR HG2 . 6918 1 459 . 1 1 41 41 THR C C 13 176.31 0.40 . 1 . . . . 41 THR C . 6918 1 460 . 1 1 41 41 THR CA C 13 64.85 0.40 . 1 . . . . 41 THR CA . 6918 1 461 . 1 1 41 41 THR CB C 13 68.90 0.40 . 1 . . . . 41 THR CB . 6918 1 462 . 1 1 41 41 THR CG2 C 13 23.00 0.40 . 1 . . . . 41 THR CG2 . 6918 1 463 . 1 1 41 41 THR N N 15 116.88 0.20 . 1 . . . . 41 THR N . 6918 1 464 . 1 1 42 42 ASP H H 1 8.03 0.03 . 1 . . . . 42 ASP H . 6918 1 465 . 1 1 42 42 ASP HA H 1 4.79 0.03 . 1 . . . . 42 ASP HA . 6918 1 466 . 1 1 42 42 ASP HB2 H 1 2.78 0.03 . 1 . . . . 42 ASP HB2 . 6918 1 467 . 1 1 42 42 ASP HB3 H 1 3.15 0.03 . 1 . . . . 42 ASP HB3 . 6918 1 468 . 1 1 42 42 ASP C C 13 177.76 0.40 . 1 . . . . 42 ASP C . 6918 1 469 . 1 1 42 42 ASP CA C 13 52.65 0.40 . 1 . . . . 42 ASP CA . 6918 1 470 . 1 1 42 42 ASP CB C 13 39.95 0.40 . 1 . . . . 42 ASP CB . 6918 1 471 . 1 1 42 42 ASP N N 15 117.31 0.20 . 1 . . . . 42 ASP N . 6918 1 472 . 1 1 43 43 GLY H H 1 7.87 0.03 . 1 . . . . 43 GLY H . 6918 1 473 . 1 1 43 43 GLY HA2 H 1 3.87 0.03 . 1 . . . . 43 GLY HA2 . 6918 1 474 . 1 1 43 43 GLY HA3 H 1 3.87 0.03 . 1 . . . . 43 GLY HA3 . 6918 1 475 . 1 1 43 43 GLY C C 13 175.31 0.40 . 1 . . . . 43 GLY C . 6918 1 476 . 1 1 43 43 GLY CA C 13 47.08 0.40 . 1 . . . . 43 GLY CA . 6918 1 477 . 1 1 43 43 GLY N N 15 109.40 0.20 . 1 . . . . 43 GLY N . 6918 1 478 . 1 1 44 44 SER H H 1 8.61 0.03 . 1 . . . . 44 SER H . 6918 1 479 . 1 1 44 44 SER HA H 1 4.26 0.03 . 1 . . . . 44 SER HA . 6918 1 480 . 1 1 44 44 SER HB2 H 1 4.03 0.03 . 1 . . . . 44 SER HB2 . 6918 1 481 . 1 1 44 44 SER HB3 H 1 4.28 0.03 . 1 . . . . 44 SER HB3 . 6918 1 482 . 1 1 44 44 SER C C 13 176.01 0.40 . 1 . . . . 44 SER C . 6918 1 483 . 1 1 44 44 SER CA C 13 60.05 0.40 . 1 . . . . 44 SER CA . 6918 1 484 . 1 1 44 44 SER CB C 13 64.72 0.40 . 1 . . . . 44 SER CB . 6918 1 485 . 1 1 44 44 SER N N 15 116.38 0.20 . 1 . . . . 44 SER N . 6918 1 486 . 1 1 45 45 GLY H H 1 11.00 0.03 . 1 . . . . 45 GLY H . 6918 1 487 . 1 1 45 45 GLY HA2 H 1 3.76 0.03 . 2 . . . . 45 GLY HA2 . 6918 1 488 . 1 1 45 45 GLY HA3 H 1 4.46 0.03 . 2 . . . . 45 GLY HA3 . 6918 1 489 . 1 1 45 45 GLY C C 13 173.08 0.40 . 1 . . . . 45 GLY C . 6918 1 490 . 1 1 45 45 GLY CA C 13 45.35 0.40 . 1 . . . . 45 GLY CA . 6918 1 491 . 1 1 45 45 GLY N N 15 116.99 0.20 . 1 . . . . 45 GLY N . 6918 1 492 . 1 1 46 46 THR H H 1 7.64 0.03 . 1 . . . . 46 THR H . 6918 1 493 . 1 1 46 46 THR HA H 1 5.07 0.03 . 1 . . . . 46 THR HA . 6918 1 494 . 1 1 46 46 THR HB H 1 3.82 0.03 . 1 . . . . 46 THR HB . 6918 1 495 . 1 1 46 46 THR HG21 H 1 1.19 0.03 . 1 . . . . 46 THR HG2 . 6918 1 496 . 1 1 46 46 THR HG22 H 1 1.19 0.03 . 1 . . . . 46 THR HG2 . 6918 1 497 . 1 1 46 46 THR HG23 H 1 1.19 0.03 . 1 . . . . 46 THR HG2 . 6918 1 498 . 1 1 46 46 THR C C 13 172.78 0.40 . 1 . . . . 46 THR C . 6918 1 499 . 1 1 46 46 THR CA C 13 58.57 0.40 . 1 . . . . 46 THR CA . 6918 1 500 . 1 1 46 46 THR CB C 13 73.45 0.40 . 1 . . . . 46 THR CB . 6918 1 501 . 1 1 46 46 THR CG2 C 13 23.30 0.40 . 1 . . . . 46 THR CG2 . 6918 1 502 . 1 1 46 46 THR N N 15 107.27 0.20 . 1 . . . . 46 THR N . 6918 1 503 . 1 1 47 47 ILE H H 1 9.95 0.03 . 1 . . . . 47 ILE H . 6918 1 504 . 1 1 47 47 ILE HA H 1 4.94 0.03 . 1 . . . . 47 ILE HA . 6918 1 505 . 1 1 47 47 ILE HB H 1 1.82 0.03 . 1 . . . . 47 ILE HB . 6918 1 506 . 1 1 47 47 ILE HG12 H 1 0.45 0.03 . 1 . . . . 47 ILE HG12 . 6918 1 507 . 1 1 47 47 ILE HG13 H 1 0.96 0.03 . 1 . . . . 47 ILE HG13 . 6918 1 508 . 1 1 47 47 ILE HG21 H 1 0.90 0.03 . 1 . . . . 47 ILE HG2 . 6918 1 509 . 1 1 47 47 ILE HG22 H 1 0.90 0.03 . 1 . . . . 47 ILE HG2 . 6918 1 510 . 1 1 47 47 ILE HG23 H 1 0.90 0.03 . 1 . . . . 47 ILE HG2 . 6918 1 511 . 1 1 47 47 ILE HD11 H 1 0.26 0.03 . 1 . . . . 47 ILE HD1 . 6918 1 512 . 1 1 47 47 ILE HD12 H 1 0.26 0.03 . 1 . . . . 47 ILE HD1 . 6918 1 513 . 1 1 47 47 ILE HD13 H 1 0.26 0.03 . 1 . . . . 47 ILE HD1 . 6918 1 514 . 1 1 47 47 ILE C C 13 175.42 0.40 . 1 . . . . 47 ILE C . 6918 1 515 . 1 1 47 47 ILE CA C 13 59.65 0.40 . 1 . . . . 47 ILE CA . 6918 1 516 . 1 1 47 47 ILE CB C 13 38.80 0.40 . 1 . . . . 47 ILE CB . 6918 1 517 . 1 1 47 47 ILE CG1 C 13 27.50 0.40 . 1 . . . . 47 ILE CG1 . 6918 1 518 . 1 1 47 47 ILE CG2 C 13 17.60 0.40 . 1 . . . . 47 ILE CG2 . 6918 1 519 . 1 1 47 47 ILE CD1 C 13 14.00 0.40 . 1 . . . . 47 ILE CD1 . 6918 1 520 . 1 1 47 47 ILE N N 15 128.44 0.20 . 1 . . . . 47 ILE N . 6918 1 521 . 1 1 48 48 ASP H H 1 8.99 0.03 . 1 . . . . 48 ASP H . 6918 1 522 . 1 1 48 48 ASP HA H 1 4.84 0.03 . 1 . . . . 48 ASP HA . 6918 1 523 . 1 1 48 48 ASP HB2 H 1 2.56 0.03 . 1 . . . . 48 ASP HB2 . 6918 1 524 . 1 1 48 48 ASP HB3 H 1 3.31 0.03 . 1 . . . . 48 ASP HB3 . 6918 1 525 . 1 1 48 48 ASP C C 13 175.45 0.40 . 1 . . . . 48 ASP C . 6918 1 526 . 1 1 48 48 ASP CA C 13 51.86 0.40 . 1 . . . . 48 ASP CA . 6918 1 527 . 1 1 48 48 ASP CB C 13 41.95 0.40 . 1 . . . . 48 ASP CB . 6918 1 528 . 1 1 48 48 ASP N N 15 129.30 0.20 . 1 . . . . 48 ASP N . 6918 1 529 . 1 1 49 49 ALA H H 1 8.62 0.03 . 1 . . . . 49 ALA H . 6918 1 530 . 1 1 49 49 ALA HA H 1 3.91 0.03 . 1 . . . . 49 ALA HA . 6918 1 531 . 1 1 49 49 ALA HB1 H 1 1.45 0.03 . 1 . . . . 49 ALA HB . 6918 1 532 . 1 1 49 49 ALA HB2 H 1 1.45 0.03 . 1 . . . . 49 ALA HB . 6918 1 533 . 1 1 49 49 ALA HB3 H 1 1.45 0.03 . 1 . . . . 49 ALA HB . 6918 1 534 . 1 1 49 49 ALA C C 13 180.04 0.40 . 1 . . . . 49 ALA C . 6918 1 535 . 1 1 49 49 ALA CA C 13 56.03 0.40 . 1 . . . . 49 ALA CA . 6918 1 536 . 1 1 49 49 ALA CB C 13 18.60 0.40 . 1 . . . . 49 ALA CB . 6918 1 537 . 1 1 49 49 ALA N N 15 118.48 0.20 . 1 . . . . 49 ALA N . 6918 1 538 . 1 1 50 50 LYS H H 1 8.05 0.03 . 1 . . . . 50 LYS H . 6918 1 539 . 1 1 50 50 LYS HA H 1 4.08 0.03 . 1 . . . . 50 LYS HA . 6918 1 540 . 1 1 50 50 LYS HB2 H 1 2.00 0.03 . 1 . . . . 50 LYS HB2 . 6918 1 541 . 1 1 50 50 LYS HB3 H 1 2.00 0.03 . 1 . . . . 50 LYS HB3 . 6918 1 542 . 1 1 50 50 LYS HG2 H 1 1.53 0.03 . 1 . . . . 50 LYS HG2 . 6918 1 543 . 1 1 50 50 LYS HG3 H 1 1.53 0.03 . 1 . . . . 50 LYS HG3 . 6918 1 544 . 1 1 50 50 LYS HD2 H 1 1.75 0.03 . 1 . . . . 50 LYS HD2 . 6918 1 545 . 1 1 50 50 LYS HD3 H 1 1.75 0.03 . 1 . . . . 50 LYS HD3 . 6918 1 546 . 1 1 50 50 LYS HE2 H 1 3.05 0.03 . 1 . . . . 50 LYS HE2 . 6918 1 547 . 1 1 50 50 LYS HE3 H 1 3.05 0.03 . 1 . . . . 50 LYS HE3 . 6918 1 548 . 1 1 50 50 LYS C C 13 179.70 0.40 . 1 . . . . 50 LYS C . 6918 1 549 . 1 1 50 50 LYS CA C 13 59.70 0.40 . 1 . . . . 50 LYS CA . 6918 1 550 . 1 1 50 50 LYS CB C 13 31.98 0.40 . 1 . . . . 50 LYS CB . 6918 1 551 . 1 1 50 50 LYS CG C 13 25.17 0.40 . 1 . . . . 50 LYS CG . 6918 1 552 . 1 1 50 50 LYS CD C 13 29.25 0.40 . 1 . . . . 50 LYS CD . 6918 1 553 . 1 1 50 50 LYS CE C 13 42.15 0.40 . 1 . . . . 50 LYS CE . 6918 1 554 . 1 1 50 50 LYS N N 15 119.90 0.20 . 1 . . . . 50 LYS N . 6918 1 555 . 1 1 51 51 GLU H H 1 8.80 0.03 . 1 . . . . 51 GLU H . 6918 1 556 . 1 1 51 51 GLU HA H 1 4.11 0.03 . 1 . . . . 51 GLU HA . 6918 1 557 . 1 1 51 51 GLU HB2 H 1 2.39 0.03 . 1 . . . . 51 GLU HB2 . 6918 1 558 . 1 1 51 51 GLU HB3 H 1 2.18 0.03 . 1 . . . . 51 GLU HB3 . 6918 1 559 . 1 1 51 51 GLU HG2 H 1 2.57 0.03 . 2 . . . . 51 GLU HG2 . 6918 1 560 . 1 1 51 51 GLU HG3 H 1 2.81 0.03 . 2 . . . . 51 GLU HG3 . 6918 1 561 . 1 1 51 51 GLU C C 13 180.78 0.40 . 1 . . . . 51 GLU C . 6918 1 562 . 1 1 51 51 GLU CA C 13 58.30 0.40 . 1 . . . . 51 GLU CA . 6918 1 563 . 1 1 51 51 GLU CB C 13 30.28 0.40 . 1 . . . . 51 GLU CB . 6918 1 564 . 1 1 51 51 GLU CG C 13 36.24 0.40 . 1 . . . . 51 GLU CG . 6918 1 565 . 1 1 51 51 GLU N N 15 121.24 0.20 . 1 . . . . 51 GLU N . 6918 1 566 . 1 1 52 52 LEU H H 1 9.06 0.03 . 1 . . . . 52 LEU H . 6918 1 567 . 1 1 52 52 LEU HA H 1 3.90 0.03 . 1 . . . . 52 LEU HA . 6918 1 568 . 1 1 52 52 LEU HB2 H 1 1.53 0.03 . 1 . . . . 52 LEU HB2 . 6918 1 569 . 1 1 52 52 LEU HB3 H 1 1.87 0.03 . 1 . . . . 52 LEU HB3 . 6918 1 570 . 1 1 52 52 LEU HG H 1 1.61 0.03 . 1 . . . . 52 LEU HG . 6918 1 571 . 1 1 52 52 LEU HD11 H 1 0.86 0.03 . 1 . . . . 52 LEU HD1 . 6918 1 572 . 1 1 52 52 LEU HD12 H 1 0.86 0.03 . 1 . . . . 52 LEU HD1 . 6918 1 573 . 1 1 52 52 LEU HD13 H 1 0.86 0.03 . 1 . . . . 52 LEU HD1 . 6918 1 574 . 1 1 52 52 LEU HD21 H 1 0.89 0.03 . 1 . . . . 52 LEU HD2 . 6918 1 575 . 1 1 52 52 LEU HD22 H 1 0.89 0.03 . 1 . . . . 52 LEU HD2 . 6918 1 576 . 1 1 52 52 LEU HD23 H 1 0.89 0.03 . 1 . . . . 52 LEU HD2 . 6918 1 577 . 1 1 52 52 LEU C C 13 178.47 0.40 . 1 . . . . 52 LEU C . 6918 1 578 . 1 1 52 52 LEU CA C 13 57.13 0.40 . 1 . . . . 52 LEU CA . 6918 1 579 . 1 1 52 52 LEU CB C 13 41.62 0.40 . 1 . . . . 52 LEU CB . 6918 1 580 . 1 1 52 52 LEU CG C 13 26.80 0.40 . 1 . . . . 52 LEU CG . 6918 1 581 . 1 1 52 52 LEU CD1 C 13 22.62 0.40 . 1 . . . . 52 LEU CD1 . 6918 1 582 . 1 1 52 52 LEU CD2 C 13 26.20 0.40 . 1 . . . . 52 LEU CD2 . 6918 1 583 . 1 1 52 52 LEU N N 15 121.08 0.20 . 1 . . . . 52 LEU N . 6918 1 584 . 1 1 53 53 LYS H H 1 7.68 0.03 . 1 . . . . 53 LYS H . 6918 1 585 . 1 1 53 53 LYS HA H 1 3.78 0.03 . 1 . . . . 53 LYS HA . 6918 1 586 . 1 1 53 53 LYS HB2 H 1 1.97 0.03 . 2 . . . . 53 LYS HB2 . 6918 1 587 . 1 1 53 53 LYS HB3 H 1 2.10 0.03 . 2 . . . . 53 LYS HB3 . 6918 1 588 . 1 1 53 53 LYS HG2 H 1 1.43 0.03 . 2 . . . . 53 LYS HG2 . 6918 1 589 . 1 1 53 53 LYS HG3 H 1 1.51 0.03 . 2 . . . . 53 LYS HG3 . 6918 1 590 . 1 1 53 53 LYS HD2 H 1 1.77 0.03 . 1 . . . . 53 LYS HD2 . 6918 1 591 . 1 1 53 53 LYS HD3 H 1 1.77 0.03 . 1 . . . . 53 LYS HD3 . 6918 1 592 . 1 1 53 53 LYS HE2 H 1 2.98 0.03 . 1 . . . . 53 LYS HE2 . 6918 1 593 . 1 1 53 53 LYS HE3 H 1 2.98 0.03 . 1 . . . . 53 LYS HE3 . 6918 1 594 . 1 1 53 53 LYS C C 13 178.25 0.40 . 1 . . . . 53 LYS C . 6918 1 595 . 1 1 53 53 LYS CA C 13 60.65 0.40 . 1 . . . . 53 LYS CA . 6918 1 596 . 1 1 53 53 LYS CB C 13 32.32 0.40 . 1 . . . . 53 LYS CB . 6918 1 597 . 1 1 53 53 LYS CG C 13 25.31 0.40 . 1 . . . . 53 LYS CG . 6918 1 598 . 1 1 53 53 LYS CD C 13 29.54 0.40 . 1 . . . . 53 LYS CD . 6918 1 599 . 1 1 53 53 LYS CE C 13 41.90 0.40 . 1 . . . . 53 LYS CE . 6918 1 600 . 1 1 53 53 LYS N N 15 119.40 0.20 . 1 . . . . 53 LYS N . 6918 1 601 . 1 1 54 54 VAL H H 1 7.35 0.03 . 1 . . . . 54 VAL H . 6918 1 602 . 1 1 54 54 VAL HA H 1 3.62 0.03 . 1 . . . . 54 VAL HA . 6918 1 603 . 1 1 54 54 VAL HB H 1 2.17 0.03 . 1 . . . . 54 VAL HB . 6918 1 604 . 1 1 54 54 VAL HG11 H 1 1.08 0.03 . 1 . . . . 54 VAL HG1 . 6918 1 605 . 1 1 54 54 VAL HG12 H 1 1.08 0.03 . 1 . . . . 54 VAL HG1 . 6918 1 606 . 1 1 54 54 VAL HG13 H 1 1.08 0.03 . 1 . . . . 54 VAL HG1 . 6918 1 607 . 1 1 54 54 VAL HG21 H 1 1.16 0.03 . 1 . . . . 54 VAL HG2 . 6918 1 608 . 1 1 54 54 VAL HG22 H 1 1.16 0.03 . 1 . . . . 54 VAL HG2 . 6918 1 609 . 1 1 54 54 VAL HG23 H 1 1.16 0.03 . 1 . . . . 54 VAL HG2 . 6918 1 610 . 1 1 54 54 VAL C C 13 178.22 0.40 . 1 . . . . 54 VAL C . 6918 1 611 . 1 1 54 54 VAL CA C 13 66.25 0.40 . 1 . . . . 54 VAL CA . 6918 1 612 . 1 1 54 54 VAL CB C 13 32.10 0.40 . 1 . . . . 54 VAL CB . 6918 1 613 . 1 1 54 54 VAL CG1 C 13 21.35 0.40 . 1 . . . . 54 VAL CG1 . 6918 1 614 . 1 1 54 54 VAL CG2 C 13 22.55 0.40 . 1 . . . . 54 VAL CG2 . 6918 1 615 . 1 1 54 54 VAL N N 15 117.58 0.20 . 1 . . . . 54 VAL N . 6918 1 616 . 1 1 55 55 ALA H H 1 7.74 0.03 . 1 . . . . 55 ALA H . 6918 1 617 . 1 1 55 55 ALA HA H 1 3.36 0.03 . 1 . . . . 55 ALA HA . 6918 1 618 . 1 1 55 55 ALA HB1 H 1 0.75 0.03 . 1 . . . . 55 ALA HB . 6918 1 619 . 1 1 55 55 ALA HB2 H 1 0.75 0.03 . 1 . . . . 55 ALA HB . 6918 1 620 . 1 1 55 55 ALA HB3 H 1 0.75 0.03 . 1 . . . . 55 ALA HB . 6918 1 621 . 1 1 55 55 ALA C C 13 178.76 0.40 . 1 . . . . 55 ALA C . 6918 1 622 . 1 1 55 55 ALA CA C 13 54.80 0.40 . 1 . . . . 55 ALA CA . 6918 1 623 . 1 1 55 55 ALA CB C 13 17.55 0.40 . 1 . . . . 55 ALA CB . 6918 1 624 . 1 1 55 55 ALA N N 15 122.58 0.20 . 1 . . . . 55 ALA N . 6918 1 625 . 1 1 56 56 MET H H 1 8.45 0.03 . 1 . . . . 56 MET H . 6918 1 626 . 1 1 56 56 MET HA H 1 4.12 0.03 . 1 . . . . 56 MET HA . 6918 1 627 . 1 1 56 56 MET HB2 H 1 1.93 0.03 . 2 . . . . 56 MET HB2 . 6918 1 628 . 1 1 56 56 MET HB3 H 1 2.10 0.03 . 2 . . . . 56 MET HB3 . 6918 1 629 . 1 1 56 56 MET HG2 H 1 2.44 0.03 . 2 . . . . 56 MET HG2 . 6918 1 630 . 1 1 56 56 MET HG3 H 1 2.59 0.03 . 2 . . . . 56 MET HG3 . 6918 1 631 . 1 1 56 56 MET HE1 H 1 1.76 0.03 . 1 . . . . 56 MET HE . 6918 1 632 . 1 1 56 56 MET HE2 H 1 1.76 0.03 . 1 . . . . 56 MET HE . 6918 1 633 . 1 1 56 56 MET HE3 H 1 1.76 0.03 . 1 . . . . 56 MET HE . 6918 1 634 . 1 1 56 56 MET C C 13 177.05 0.40 . 1 . . . . 56 MET C . 6918 1 635 . 1 1 56 56 MET CA C 13 58.65 0.40 . 1 . . . . 56 MET CA . 6918 1 636 . 1 1 56 56 MET CB C 13 32.23 0.40 . 1 . . . . 56 MET CB . 6918 1 637 . 1 1 56 56 MET CG C 13 33.55 0.40 . 1 . . . . 56 MET CG . 6918 1 638 . 1 1 56 56 MET CE C 13 17.55 0.40 . 1 . . . . 56 MET CE . 6918 1 639 . 1 1 56 56 MET N N 15 113.85 0.20 . 1 . . . . 56 MET N . 6918 1 640 . 1 1 57 57 ARG H H 1 7.84 0.03 . 1 . . . . 57 ARG H . 6918 1 641 . 1 1 57 57 ARG HA H 1 4.50 0.03 . 1 . . . . 57 ARG HA . 6918 1 642 . 1 1 57 57 ARG HB2 H 1 2.00 0.03 . 1 . . . . 57 ARG HB2 . 6918 1 643 . 1 1 57 57 ARG HB3 H 1 2.00 0.03 . 1 . . . . 57 ARG HB3 . 6918 1 644 . 1 1 57 57 ARG HG2 H 1 1.77 0.03 . 2 . . . . 57 ARG HG2 . 6918 1 645 . 1 1 57 57 ARG HG3 H 1 1.85 0.03 . 2 . . . . 57 ARG HG3 . 6918 1 646 . 1 1 57 57 ARG HD2 H 1 3.29 0.03 . 1 . . . . 57 ARG HD2 . 6918 1 647 . 1 1 57 57 ARG HD3 H 1 3.29 0.03 . 1 . . . . 57 ARG HD3 . 6918 1 648 . 1 1 57 57 ARG C C 13 180.16 0.40 . 1 . . . . 57 ARG C . 6918 1 649 . 1 1 57 57 ARG CA C 13 58.90 0.40 . 1 . . . . 57 ARG CA . 6918 1 650 . 1 1 57 57 ARG CB C 13 29.86 0.40 . 1 . . . . 57 ARG CB . 6918 1 651 . 1 1 57 57 ARG CG C 13 27.56 0.40 . 1 . . . . 57 ARG CG . 6918 1 652 . 1 1 57 57 ARG CD C 13 43.46 0.40 . 1 . . . . 57 ARG CD . 6918 1 653 . 1 1 57 57 ARG N N 15 119.22 0.20 . 1 . . . . 57 ARG N . 6918 1 654 . 1 1 58 58 ALA H H 1 8.02 0.03 . 1 . . . . 58 ALA H . 6918 1 655 . 1 1 58 58 ALA HA H 1 4.24 0.03 . 1 . . . . 58 ALA HA . 6918 1 656 . 1 1 58 58 ALA HB1 H 1 1.69 0.03 . 1 . . . . 58 ALA HB . 6918 1 657 . 1 1 58 58 ALA HB2 H 1 1.69 0.03 . 1 . . . . 58 ALA HB . 6918 1 658 . 1 1 58 58 ALA HB3 H 1 1.69 0.03 . 1 . . . . 58 ALA HB . 6918 1 659 . 1 1 58 58 ALA C C 13 179.08 0.40 . 1 . . . . 58 ALA C . 6918 1 660 . 1 1 58 58 ALA CA C 13 54.79 0.40 . 1 . . . . 58 ALA CA . 6918 1 661 . 1 1 58 58 ALA CB C 13 18.30 0.40 . 1 . . . . 58 ALA CB . 6918 1 662 . 1 1 58 58 ALA N N 15 123.72 0.20 . 1 . . . . 58 ALA N . 6918 1 663 . 1 1 59 59 LEU H H 1 7.75 0.03 . 1 . . . . 59 LEU H . 6918 1 664 . 1 1 59 59 LEU HA H 1 4.36 0.03 . 1 . . . . 59 LEU HA . 6918 1 665 . 1 1 59 59 LEU HB2 H 1 1.96 0.03 . 1 . . . . 59 LEU HB2 . 6918 1 666 . 1 1 59 59 LEU HB3 H 1 1.76 0.03 . 1 . . . . 59 LEU HB3 . 6918 1 667 . 1 1 59 59 LEU HG H 1 1.96 0.03 . 1 . . . . 59 LEU HG . 6918 1 668 . 1 1 59 59 LEU HD11 H 1 0.95 0.03 . 1 . . . . 59 LEU HD1 . 6918 1 669 . 1 1 59 59 LEU HD12 H 1 0.95 0.03 . 1 . . . . 59 LEU HD1 . 6918 1 670 . 1 1 59 59 LEU HD13 H 1 0.95 0.03 . 1 . . . . 59 LEU HD1 . 6918 1 671 . 1 1 59 59 LEU HD21 H 1 1.03 0.03 . 1 . . . . 59 LEU HD2 . 6918 1 672 . 1 1 59 59 LEU HD22 H 1 1.03 0.03 . 1 . . . . 59 LEU HD2 . 6918 1 673 . 1 1 59 59 LEU HD23 H 1 1.03 0.03 . 1 . . . . 59 LEU HD2 . 6918 1 674 . 1 1 59 59 LEU C C 13 176.77 0.40 . 1 . . . . 59 LEU C . 6918 1 675 . 1 1 59 59 LEU CA C 13 54.92 0.40 . 1 . . . . 59 LEU CA . 6918 1 676 . 1 1 59 59 LEU CB C 13 42.56 0.40 . 1 . . . . 59 LEU CB . 6918 1 677 . 1 1 59 59 LEU CG C 13 26.48 0.40 . 1 . . . . 59 LEU CG . 6918 1 678 . 1 1 59 59 LEU CD1 C 13 25.75 0.40 . 1 . . . . 59 LEU CD1 . 6918 1 679 . 1 1 59 59 LEU CD2 C 13 22.80 0.40 . 1 . . . . 59 LEU CD2 . 6918 1 680 . 1 1 59 59 LEU N N 15 116.48 0.20 . 1 . . . . 59 LEU N . 6918 1 681 . 1 1 60 60 GLY H H 1 7.73 0.03 . 1 . . . . 60 GLY H . 6918 1 682 . 1 1 60 60 GLY HA2 H 1 3.73 0.03 . 2 . . . . 60 GLY HA2 . 6918 1 683 . 1 1 60 60 GLY HA3 H 1 4.12 0.03 . 2 . . . . 60 GLY HA3 . 6918 1 684 . 1 1 60 60 GLY C C 13 174.29 0.40 . 1 . . . . 60 GLY C . 6918 1 685 . 1 1 60 60 GLY CA C 13 45.30 0.40 . 1 . . . . 60 GLY CA . 6918 1 686 . 1 1 60 60 GLY N N 15 105.72 0.20 . 1 . . . . 60 GLY N . 6918 1 687 . 1 1 61 61 PHE H H 1 8.10 0.03 . 1 . . . . 61 PHE H . 6918 1 688 . 1 1 61 61 PHE HA H 1 4.79 0.03 . 1 . . . . 61 PHE HA . 6918 1 689 . 1 1 61 61 PHE HB2 H 1 2.75 0.03 . 1 . . . . 61 PHE HB2 . 6918 1 690 . 1 1 61 61 PHE HB3 H 1 3.10 0.03 . 1 . . . . 61 PHE HB3 . 6918 1 691 . 1 1 61 61 PHE HD1 H 1 7.25 0.03 . 3 . . . . 61 PHE HD1 . 6918 1 692 . 1 1 61 61 PHE HE1 H 1 7.30 0.03 . 3 . . . . 61 PHE HE1 . 6918 1 693 . 1 1 61 61 PHE C C 13 174.50 0.40 . 1 . . . . 61 PHE C . 6918 1 694 . 1 1 61 61 PHE CA C 13 56.54 0.40 . 1 . . . . 61 PHE CA . 6918 1 695 . 1 1 61 61 PHE CB C 13 40.52 0.40 . 1 . . . . 61 PHE CB . 6918 1 696 . 1 1 61 61 PHE N N 15 119.82 0.20 . 1 . . . . 61 PHE N . 6918 1 697 . 1 1 62 62 GLU H H 1 8.68 0.03 . 1 . . . . 62 GLU H . 6918 1 698 . 1 1 62 62 GLU HA H 1 4.70 0.03 . 1 . . . . 62 GLU HA . 6918 1 699 . 1 1 62 62 GLU HB2 H 1 2.07 0.03 . 2 . . . . 62 GLU HB2 . 6918 1 700 . 1 1 62 62 GLU HB3 H 1 1.93 0.03 . 2 . . . . 62 GLU HB3 . 6918 1 701 . 1 1 62 62 GLU HG2 H 1 2.23 0.03 . 1 . . . . 62 GLU HG2 . 6918 1 702 . 1 1 62 62 GLU HG3 H 1 2.23 0.03 . 1 . . . . 62 GLU HG3 . 6918 1 703 . 1 1 62 62 GLU CA C 13 53.47 0.40 . 1 . . . . 62 GLU CA . 6918 1 704 . 1 1 62 62 GLU CB C 13 30.15 0.40 . 1 . . . . 62 GLU CB . 6918 1 705 . 1 1 62 62 GLU CG C 13 36.10 0.40 . 1 . . . . 62 GLU CG . 6918 1 706 . 1 1 62 62 GLU N N 15 121.63 0.20 . 1 . . . . 62 GLU N . 6918 1 707 . 1 1 63 63 PRO HA H 1 4.57 0.03 . 1 . . . . 63 PRO HA . 6918 1 708 . 1 1 63 63 PRO HB2 H 1 2.00 0.03 . 2 . . . . 63 PRO HB2 . 6918 1 709 . 1 1 63 63 PRO HB3 H 1 2.10 0.03 . 2 . . . . 63 PRO HB3 . 6918 1 710 . 1 1 63 63 PRO HG2 H 1 2.00 0.03 . 1 . . . . 63 PRO HG2 . 6918 1 711 . 1 1 63 63 PRO HG3 H 1 1.93 0.03 . 1 . . . . 63 PRO HG3 . 6918 1 712 . 1 1 63 63 PRO HD2 H 1 3.62 0.03 . 2 . . . . 63 PRO HD2 . 6918 1 713 . 1 1 63 63 PRO HD3 H 1 3.68 0.03 . 2 . . . . 63 PRO HD3 . 6918 1 714 . 1 1 63 63 PRO C C 13 176.63 0.40 . 1 . . . . 63 PRO C . 6918 1 715 . 1 1 63 63 PRO CA C 13 62.60 0.40 . 1 . . . . 63 PRO CA . 6918 1 716 . 1 1 63 63 PRO CB C 13 31.80 0.40 . 1 . . . . 63 PRO CB . 6918 1 717 . 1 1 63 63 PRO CG C 13 27.45 0.40 . 1 . . . . 63 PRO CG . 6918 1 718 . 1 1 63 63 PRO CD C 13 50.30 0.40 . 1 . . . . 63 PRO CD . 6918 1 719 . 1 1 64 64 LYS H H 1 8.61 0.03 . 1 . . . . 64 LYS H . 6918 1 720 . 1 1 64 64 LYS HA H 1 4.48 0.03 . 1 . . . . 64 LYS HA . 6918 1 721 . 1 1 64 64 LYS HB2 H 1 1.73 0.03 . 2 . . . . 64 LYS HB2 . 6918 1 722 . 1 1 64 64 LYS HB3 H 1 2.17 0.03 . 2 . . . . 64 LYS HB3 . 6918 1 723 . 1 1 64 64 LYS HG2 H 1 1.58 0.03 . 1 . . . . 64 LYS HG2 . 6918 1 724 . 1 1 64 64 LYS HG3 H 1 1.58 0.03 . 1 . . . . 64 LYS HG3 . 6918 1 725 . 1 1 64 64 LYS HD2 H 1 1.75 0.03 . 1 . . . . 64 LYS HD2 . 6918 1 726 . 1 1 64 64 LYS HD3 H 1 1.75 0.03 . 1 . . . . 64 LYS HD3 . 6918 1 727 . 1 1 64 64 LYS HE2 H 1 3.02 0.03 . 1 . . . . 64 LYS HE2 . 6918 1 728 . 1 1 64 64 LYS HE3 H 1 3.02 0.03 . 1 . . . . 64 LYS HE3 . 6918 1 729 . 1 1 64 64 LYS CA C 13 55.62 0.40 . 1 . . . . 64 LYS CA . 6918 1 730 . 1 1 64 64 LYS CB C 13 33.77 0.40 . 1 . . . . 64 LYS CB . 6918 1 731 . 1 1 64 64 LYS CG C 13 25.40 0.40 . 1 . . . . 64 LYS CG . 6918 1 732 . 1 1 64 64 LYS CD C 13 29.30 0.40 . 1 . . . . 64 LYS CD . 6918 1 733 . 1 1 64 64 LYS CE C 13 41.90 0.40 . 1 . . . . 64 LYS CE . 6918 1 734 . 1 1 64 64 LYS N N 15 121.34 0.20 . 1 . . . . 64 LYS N . 6918 1 735 . 1 1 65 65 LYS HA H 1 4.02 0.03 . 1 . . . . 65 LYS HA . 6918 1 736 . 1 1 65 65 LYS HB2 H 1 1.91 0.03 . 2 . . . . 65 LYS HB2 . 6918 1 737 . 1 1 65 65 LYS HB3 H 1 1.98 0.03 . 2 . . . . 65 LYS HB3 . 6918 1 738 . 1 1 65 65 LYS HG2 H 1 1.53 0.03 . 1 . . . . 65 LYS HG2 . 6918 1 739 . 1 1 65 65 LYS HG3 H 1 1.53 0.03 . 1 . . . . 65 LYS HG3 . 6918 1 740 . 1 1 65 65 LYS HD2 H 1 1.76 0.03 . 1 . . . . 65 LYS HD2 . 6918 1 741 . 1 1 65 65 LYS HD3 H 1 1.76 0.03 . 1 . . . . 65 LYS HD3 . 6918 1 742 . 1 1 65 65 LYS HE2 H 1 3.01 0.03 . 1 . . . . 65 LYS HE2 . 6918 1 743 . 1 1 65 65 LYS HE3 H 1 3.01 0.03 . 1 . . . . 65 LYS HE3 . 6918 1 744 . 1 1 65 65 LYS C C 13 178.73 0.40 . 1 . . . . 65 LYS C . 6918 1 745 . 1 1 65 65 LYS CA C 13 59.97 0.40 . 1 . . . . 65 LYS CA . 6918 1 746 . 1 1 65 65 LYS CB C 13 32.42 0.40 . 1 . . . . 65 LYS CB . 6918 1 747 . 1 1 65 65 LYS CG C 13 24.84 0.40 . 1 . . . . 65 LYS CG . 6918 1 748 . 1 1 65 65 LYS CD C 13 29.37 0.40 . 1 . . . . 65 LYS CD . 6918 1 749 . 1 1 65 65 LYS CE C 13 41.90 0.40 . 1 . . . . 65 LYS CE . 6918 1 750 . 1 1 66 66 GLU H H 1 9.40 0.03 . 1 . . . . 66 GLU H . 6918 1 751 . 1 1 66 66 GLU HA H 1 4.14 0.03 . 1 . . . . 66 GLU HA . 6918 1 752 . 1 1 66 66 GLU HB2 H 1 2.10 0.03 . 1 . . . . 66 GLU HB2 . 6918 1 753 . 1 1 66 66 GLU HB3 H 1 2.10 0.03 . 1 . . . . 66 GLU HB3 . 6918 1 754 . 1 1 66 66 GLU HG2 H 1 2.40 0.03 . 1 . . . . 66 GLU HG2 . 6918 1 755 . 1 1 66 66 GLU HG3 H 1 2.40 0.03 . 1 . . . . 66 GLU HG3 . 6918 1 756 . 1 1 66 66 GLU C C 13 177.63 0.40 . 1 . . . . 66 GLU C . 6918 1 757 . 1 1 66 66 GLU CA C 13 59.30 0.40 . 1 . . . . 66 GLU CA . 6918 1 758 . 1 1 66 66 GLU CB C 13 29.05 0.40 . 1 . . . . 66 GLU CB . 6918 1 759 . 1 1 66 66 GLU CG C 13 36.42 0.40 . 1 . . . . 66 GLU CG . 6918 1 760 . 1 1 66 66 GLU N N 15 118.79 0.20 . 1 . . . . 66 GLU N . 6918 1 761 . 1 1 67 67 GLU H H 1 7.64 0.03 . 1 . . . . 67 GLU H . 6918 1 762 . 1 1 67 67 GLU HA H 1 4.18 0.03 . 1 . . . . 67 GLU HA . 6918 1 763 . 1 1 67 67 GLU HB2 H 1 2.14 0.03 . 2 . . . . 67 GLU HB2 . 6918 1 764 . 1 1 67 67 GLU HB3 H 1 2.26 0.03 . 2 . . . . 67 GLU HB3 . 6918 1 765 . 1 1 67 67 GLU HG2 H 1 2.36 0.03 . 1 . . . . 67 GLU HG2 . 6918 1 766 . 1 1 67 67 GLU HG3 H 1 2.36 0.03 . 1 . . . . 67 GLU HG3 . 6918 1 767 . 1 1 67 67 GLU C C 13 178.87 0.40 . 1 . . . . 67 GLU C . 6918 1 768 . 1 1 67 67 GLU CA C 13 58.50 0.40 . 1 . . . . 67 GLU CA . 6918 1 769 . 1 1 67 67 GLU CB C 13 29.85 0.40 . 1 . . . . 67 GLU CB . 6918 1 770 . 1 1 67 67 GLU CG C 13 36.75 0.40 . 1 . . . . 67 GLU CG . 6918 1 771 . 1 1 67 67 GLU N N 15 119.45 0.20 . 1 . . . . 67 GLU N . 6918 1 772 . 1 1 68 68 ILE H H 1 7.86 0.03 . 1 . . . . 68 ILE H . 6918 1 773 . 1 1 68 68 ILE HA H 1 3.77 0.03 . 1 . . . . 68 ILE HA . 6918 1 774 . 1 1 68 68 ILE HB H 1 2.14 0.03 . 1 . . . . 68 ILE HB . 6918 1 775 . 1 1 68 68 ILE HG12 H 1 1.33 0.03 . 2 . . . . 68 ILE HG12 . 6918 1 776 . 1 1 68 68 ILE HG13 H 1 1.54 0.03 . 2 . . . . 68 ILE HG13 . 6918 1 777 . 1 1 68 68 ILE HG21 H 1 0.99 0.03 . 1 . . . . 68 ILE HG2 . 6918 1 778 . 1 1 68 68 ILE HG22 H 1 0.99 0.03 . 1 . . . . 68 ILE HG2 . 6918 1 779 . 1 1 68 68 ILE HG23 H 1 0.99 0.03 . 1 . . . . 68 ILE HG2 . 6918 1 780 . 1 1 68 68 ILE HD11 H 1 0.79 0.03 . 1 . . . . 68 ILE HD1 . 6918 1 781 . 1 1 68 68 ILE HD12 H 1 0.79 0.03 . 1 . . . . 68 ILE HD1 . 6918 1 782 . 1 1 68 68 ILE HD13 H 1 0.79 0.03 . 1 . . . . 68 ILE HD1 . 6918 1 783 . 1 1 68 68 ILE C C 13 178.51 0.40 . 1 . . . . 68 ILE C . 6918 1 784 . 1 1 68 68 ILE CA C 13 63.50 0.40 . 1 . . . . 68 ILE CA . 6918 1 785 . 1 1 68 68 ILE CB C 13 36.54 0.40 . 1 . . . . 68 ILE CB . 6918 1 786 . 1 1 68 68 ILE CG1 C 13 28.22 0.40 . 1 . . . . 68 ILE CG1 . 6918 1 787 . 1 1 68 68 ILE CG2 C 13 17.68 0.40 . 1 . . . . 68 ILE CG2 . 6918 1 788 . 1 1 68 68 ILE CD1 C 13 11.54 0.40 . 1 . . . . 68 ILE CD1 . 6918 1 789 . 1 1 68 68 ILE N N 15 121.42 0.20 . 1 . . . . 68 ILE N . 6918 1 790 . 1 1 69 69 LYS H H 1 7.82 0.03 . 1 . . . . 69 LYS H . 6918 1 791 . 1 1 69 69 LYS HA H 1 3.94 0.03 . 1 . . . . 69 LYS HA . 6918 1 792 . 1 1 69 69 LYS HB2 H 1 1.90 0.03 . 1 . . . . 69 LYS HB2 . 6918 1 793 . 1 1 69 69 LYS HB3 H 1 1.90 0.03 . 1 . . . . 69 LYS HB3 . 6918 1 794 . 1 1 69 69 LYS HG2 H 1 1.57 0.03 . 2 . . . . 69 LYS HG2 . 6918 1 795 . 1 1 69 69 LYS HG3 H 1 1.44 0.03 . 2 . . . . 69 LYS HG3 . 6918 1 796 . 1 1 69 69 LYS HD2 H 1 1.71 0.03 . 1 . . . . 69 LYS HD2 . 6918 1 797 . 1 1 69 69 LYS HD3 H 1 1.71 0.03 . 1 . . . . 69 LYS HD3 . 6918 1 798 . 1 1 69 69 LYS HE2 H 1 3.01 0.03 . 1 . . . . 69 LYS HE2 . 6918 1 799 . 1 1 69 69 LYS HE3 H 1 3.01 0.03 . 1 . . . . 69 LYS HE3 . 6918 1 800 . 1 1 69 69 LYS C C 13 179.30 0.40 . 1 . . . . 69 LYS C . 6918 1 801 . 1 1 69 69 LYS CA C 13 59.80 0.40 . 1 . . . . 69 LYS CA . 6918 1 802 . 1 1 69 69 LYS CB C 13 32.10 0.40 . 1 . . . . 69 LYS CB . 6918 1 803 . 1 1 69 69 LYS CG C 13 24.98 0.40 . 1 . . . . 69 LYS CG . 6918 1 804 . 1 1 69 69 LYS CD C 13 29.32 0.40 . 1 . . . . 69 LYS CD . 6918 1 805 . 1 1 69 69 LYS CE C 13 41.95 0.40 . 1 . . . . 69 LYS CE . 6918 1 806 . 1 1 69 69 LYS N N 15 119.06 0.20 . 1 . . . . 69 LYS N . 6918 1 807 . 1 1 70 70 LYS H H 1 7.72 0.03 . 1 . . . . 70 LYS H . 6918 1 808 . 1 1 70 70 LYS HA H 1 4.08 0.03 . 1 . . . . 70 LYS HA . 6918 1 809 . 1 1 70 70 LYS HB2 H 1 1.93 0.03 . 1 . . . . 70 LYS HB2 . 6918 1 810 . 1 1 70 70 LYS HB3 H 1 1.93 0.03 . 1 . . . . 70 LYS HB3 . 6918 1 811 . 1 1 70 70 LYS HG2 H 1 1.55 0.03 . 2 . . . . 70 LYS HG2 . 6918 1 812 . 1 1 70 70 LYS HG3 H 1 1.45 0.03 . 2 . . . . 70 LYS HG3 . 6918 1 813 . 1 1 70 70 LYS HD2 H 1 1.73 0.03 . 1 . . . . 70 LYS HD2 . 6918 1 814 . 1 1 70 70 LYS HD3 H 1 1.73 0.03 . 1 . . . . 70 LYS HD3 . 6918 1 815 . 1 1 70 70 LYS HE2 H 1 2.99 0.03 . 1 . . . . 70 LYS HE2 . 6918 1 816 . 1 1 70 70 LYS HE3 H 1 2.99 0.03 . 1 . . . . 70 LYS HE3 . 6918 1 817 . 1 1 70 70 LYS C C 13 178.45 0.40 . 1 . . . . 70 LYS C . 6918 1 818 . 1 1 70 70 LYS CA C 13 59.20 0.40 . 1 . . . . 70 LYS CA . 6918 1 819 . 1 1 70 70 LYS CB C 13 32.40 0.40 . 1 . . . . 70 LYS CB . 6918 1 820 . 1 1 70 70 LYS CG C 13 24.93 0.40 . 1 . . . . 70 LYS CG . 6918 1 821 . 1 1 70 70 LYS CD C 13 29.36 0.40 . 1 . . . . 70 LYS CD . 6918 1 822 . 1 1 70 70 LYS CE C 13 42.10 0.40 . 1 . . . . 70 LYS CE . 6918 1 823 . 1 1 70 70 LYS N N 15 119.70 0.20 . 1 . . . . 70 LYS N . 6918 1 824 . 1 1 71 71 MET H H 1 8.02 0.03 . 1 . . . . 71 MET H . 6918 1 825 . 1 1 71 71 MET HA H 1 4.13 0.03 . 1 . . . . 71 MET HA . 6918 1 826 . 1 1 71 71 MET HB2 H 1 2.09 0.03 . 2 . . . . 71 MET HB2 . 6918 1 827 . 1 1 71 71 MET HB3 H 1 2.18 0.03 . 2 . . . . 71 MET HB3 . 6918 1 828 . 1 1 71 71 MET HG2 H 1 2.56 0.03 . 2 . . . . 71 MET HG2 . 6918 1 829 . 1 1 71 71 MET HG3 H 1 2.45 0.03 . 2 . . . . 71 MET HG3 . 6918 1 830 . 1 1 71 71 MET HE1 H 1 1.90 0.03 . 1 . . . . 71 MET HE . 6918 1 831 . 1 1 71 71 MET HE2 H 1 1.90 0.03 . 1 . . . . 71 MET HE . 6918 1 832 . 1 1 71 71 MET HE3 H 1 1.90 0.03 . 1 . . . . 71 MET HE . 6918 1 833 . 1 1 71 71 MET C C 13 178.50 0.40 . 1 . . . . 71 MET C . 6918 1 834 . 1 1 71 71 MET CA C 13 58.95 0.40 . 1 . . . . 71 MET CA . 6918 1 835 . 1 1 71 71 MET CB C 13 32.60 0.40 . 1 . . . . 71 MET CB . 6918 1 836 . 1 1 71 71 MET CG C 13 32.15 0.40 . 1 . . . . 71 MET CG . 6918 1 837 . 1 1 71 71 MET CE C 13 17.20 0.40 . 1 . . . . 71 MET CE . 6918 1 838 . 1 1 71 71 MET N N 15 119.62 0.20 . 1 . . . . 71 MET N . 6918 1 839 . 1 1 72 72 ILE H H 1 8.28 0.03 . 1 . . . . 72 ILE H . 6918 1 840 . 1 1 72 72 ILE HA H 1 3.49 0.03 . 1 . . . . 72 ILE HA . 6918 1 841 . 1 1 72 72 ILE HB H 1 1.92 0.03 . 1 . . . . 72 ILE HB . 6918 1 842 . 1 1 72 72 ILE HG12 H 1 0.89 0.03 . 2 . . . . 72 ILE HG12 . 6918 1 843 . 1 1 72 72 ILE HG13 H 1 1.77 0.03 . 2 . . . . 72 ILE HG13 . 6918 1 844 . 1 1 72 72 ILE HG21 H 1 0.84 0.03 . 1 . . . . 72 ILE HG2 . 6918 1 845 . 1 1 72 72 ILE HG22 H 1 0.84 0.03 . 1 . . . . 72 ILE HG2 . 6918 1 846 . 1 1 72 72 ILE HG23 H 1 0.84 0.03 . 1 . . . . 72 ILE HG2 . 6918 1 847 . 1 1 72 72 ILE HD11 H 1 0.78 0.03 . 1 . . . . 72 ILE HD1 . 6918 1 848 . 1 1 72 72 ILE HD12 H 1 0.78 0.03 . 1 . . . . 72 ILE HD1 . 6918 1 849 . 1 1 72 72 ILE HD13 H 1 0.78 0.03 . 1 . . . . 72 ILE HD1 . 6918 1 850 . 1 1 72 72 ILE C C 13 177.36 0.40 . 1 . . . . 72 ILE C . 6918 1 851 . 1 1 72 72 ILE CA C 13 65.85 0.40 . 1 . . . . 72 ILE CA . 6918 1 852 . 1 1 72 72 ILE CB C 13 37.43 0.40 . 1 . . . . 72 ILE CB . 6918 1 853 . 1 1 72 72 ILE CG1 C 13 30.10 0.40 . 1 . . . . 72 ILE CG1 . 6918 1 854 . 1 1 72 72 ILE CG2 C 13 16.73 0.40 . 1 . . . . 72 ILE CG2 . 6918 1 855 . 1 1 72 72 ILE CD1 C 13 12.64 0.40 . 1 . . . . 72 ILE CD1 . 6918 1 856 . 1 1 72 72 ILE N N 15 117.85 0.20 . 1 . . . . 72 ILE N . 6918 1 857 . 1 1 73 73 SER H H 1 7.98 0.03 . 1 . . . . 73 SER H . 6918 1 858 . 1 1 73 73 SER HA H 1 4.28 0.03 . 1 . . . . 73 SER HA . 6918 1 859 . 1 1 73 73 SER HB2 H 1 4.04 0.03 . 1 . . . . 73 SER HB2 . 6918 1 860 . 1 1 73 73 SER HB3 H 1 4.04 0.03 . 1 . . . . 73 SER HB3 . 6918 1 861 . 1 1 73 73 SER C C 13 175.93 0.40 . 1 . . . . 73 SER C . 6918 1 862 . 1 1 73 73 SER CA C 13 61.60 0.40 . 1 . . . . 73 SER CA . 6918 1 863 . 1 1 73 73 SER CB C 13 62.95 0.40 . 1 . . . . 73 SER CB . 6918 1 864 . 1 1 73 73 SER N N 15 113.77 0.20 . 1 . . . . 73 SER N . 6918 1 865 . 1 1 74 74 GLU H H 1 7.67 0.03 . 1 . . . . 74 GLU H . 6918 1 866 . 1 1 74 74 GLU HA H 1 4.16 0.03 . 1 . . . . 74 GLU HA . 6918 1 867 . 1 1 74 74 GLU HB2 H 1 2.06 0.03 . 2 . . . . 74 GLU HB2 . 6918 1 868 . 1 1 74 74 GLU HB3 H 1 2.17 0.03 . 2 . . . . 74 GLU HB3 . 6918 1 869 . 1 1 74 74 GLU HG2 H 1 2.25 0.03 . 2 . . . . 74 GLU HG2 . 6918 1 870 . 1 1 74 74 GLU HG3 H 1 2.45 0.03 . 2 . . . . 74 GLU HG3 . 6918 1 871 . 1 1 74 74 GLU C C 13 177.82 0.40 . 1 . . . . 74 GLU C . 6918 1 872 . 1 1 74 74 GLU CA C 13 58.40 0.40 . 1 . . . . 74 GLU CA . 6918 1 873 . 1 1 74 74 GLU CB C 13 30.40 0.40 . 1 . . . . 74 GLU CB . 6918 1 874 . 1 1 74 74 GLU CG C 13 36.38 0.40 . 1 . . . . 74 GLU CG . 6918 1 875 . 1 1 74 74 GLU N N 15 118.78 0.20 . 1 . . . . 74 GLU N . 6918 1 876 . 1 1 75 75 ILE H H 1 7.67 0.03 . 1 . . . . 75 ILE H . 6918 1 877 . 1 1 75 75 ILE HA H 1 4.27 0.03 . 1 . . . . 75 ILE HA . 6918 1 878 . 1 1 75 75 ILE HB H 1 1.96 0.03 . 1 . . . . 75 ILE HB . 6918 1 879 . 1 1 75 75 ILE HG12 H 1 1.40 0.03 . 2 . . . . 75 ILE HG12 . 6918 1 880 . 1 1 75 75 ILE HG13 H 1 1.53 0.03 . 2 . . . . 75 ILE HG13 . 6918 1 881 . 1 1 75 75 ILE HG21 H 1 0.95 0.03 . 1 . . . . 75 ILE HG2 . 6918 1 882 . 1 1 75 75 ILE HG22 H 1 0.95 0.03 . 1 . . . . 75 ILE HG2 . 6918 1 883 . 1 1 75 75 ILE HG23 H 1 0.95 0.03 . 1 . . . . 75 ILE HG2 . 6918 1 884 . 1 1 75 75 ILE HD11 H 1 0.81 0.03 . 1 . . . . 75 ILE HD1 . 6918 1 885 . 1 1 75 75 ILE HD12 H 1 0.81 0.03 . 1 . . . . 75 ILE HD1 . 6918 1 886 . 1 1 75 75 ILE HD13 H 1 0.81 0.03 . 1 . . . . 75 ILE HD1 . 6918 1 887 . 1 1 75 75 ILE C C 13 176.75 0.40 . 1 . . . . 75 ILE C . 6918 1 888 . 1 1 75 75 ILE CA C 13 61.20 0.40 . 1 . . . . 75 ILE CA . 6918 1 889 . 1 1 75 75 ILE CB C 13 39.09 0.40 . 1 . . . . 75 ILE CB . 6918 1 890 . 1 1 75 75 ILE CG1 C 13 27.01 0.40 . 1 . . . . 75 ILE CG1 . 6918 1 891 . 1 1 75 75 ILE CG2 C 13 19.05 0.40 . 1 . . . . 75 ILE CG2 . 6918 1 892 . 1 1 75 75 ILE CD1 C 13 13.45 0.40 . 1 . . . . 75 ILE CD1 . 6918 1 893 . 1 1 75 75 ILE N N 15 114.23 0.20 . 1 . . . . 75 ILE N . 6918 1 894 . 1 1 76 76 ASP H H 1 8.23 0.03 . 1 . . . . 76 ASP H . 6918 1 895 . 1 1 76 76 ASP HA H 1 4.62 0.03 . 1 . . . . 76 ASP HA . 6918 1 896 . 1 1 76 76 ASP HB2 H 1 2.40 0.03 . 1 . . . . 76 ASP HB2 . 6918 1 897 . 1 1 76 76 ASP HB3 H 1 2.95 0.03 . 1 . . . . 76 ASP HB3 . 6918 1 898 . 1 1 76 76 ASP C C 13 177.03 0.40 . 1 . . . . 76 ASP C . 6918 1 899 . 1 1 76 76 ASP CA C 13 53.40 0.40 . 1 . . . . 76 ASP CA . 6918 1 900 . 1 1 76 76 ASP CB C 13 40.16 0.40 . 1 . . . . 76 ASP CB . 6918 1 901 . 1 1 76 76 ASP N N 15 120.70 0.20 . 1 . . . . 76 ASP N . 6918 1 902 . 1 1 77 77 LYS H H 1 8.36 0.03 . 1 . . . . 77 LYS H . 6918 1 903 . 1 1 77 77 LYS HA H 1 4.27 0.03 . 1 . . . . 77 LYS HA . 6918 1 904 . 1 1 77 77 LYS HB2 H 1 1.99 0.03 . 1 . . . . 77 LYS HB2 . 6918 1 905 . 1 1 77 77 LYS HB3 H 1 1.99 0.03 . 1 . . . . 77 LYS HB3 . 6918 1 906 . 1 1 77 77 LYS HG2 H 1 1.62 0.03 . 1 . . . . 77 LYS HG2 . 6918 1 907 . 1 1 77 77 LYS HG3 H 1 1.62 0.03 . 1 . . . . 77 LYS HG3 . 6918 1 908 . 1 1 77 77 LYS HD2 H 1 1.76 0.03 . 1 . . . . 77 LYS HD2 . 6918 1 909 . 1 1 77 77 LYS HD3 H 1 1.76 0.03 . 1 . . . . 77 LYS HD3 . 6918 1 910 . 1 1 77 77 LYS HE2 H 1 3.09 0.03 . 1 . . . . 77 LYS HE2 . 6918 1 911 . 1 1 77 77 LYS HE3 H 1 3.09 0.03 . 1 . . . . 77 LYS HE3 . 6918 1 912 . 1 1 77 77 LYS C C 13 177.36 0.40 . 1 . . . . 77 LYS C . 6918 1 913 . 1 1 77 77 LYS CA C 13 57.60 0.40 . 1 . . . . 77 LYS CA . 6918 1 914 . 1 1 77 77 LYS CB C 13 33.06 0.40 . 1 . . . . 77 LYS CB . 6918 1 915 . 1 1 77 77 LYS CG C 13 24.62 0.40 . 1 . . . . 77 LYS CG . 6918 1 916 . 1 1 77 77 LYS CD C 13 28.81 0.40 . 1 . . . . 77 LYS CD . 6918 1 917 . 1 1 77 77 LYS CE C 13 42.23 0.40 . 1 . . . . 77 LYS CE . 6918 1 918 . 1 1 77 77 LYS N N 15 126.75 0.20 . 1 . . . . 77 LYS N . 6918 1 919 . 1 1 78 78 ASP H H 1 8.07 0.03 . 1 . . . . 78 ASP H . 6918 1 920 . 1 1 78 78 ASP HA H 1 4.79 0.03 . 1 . . . . 78 ASP HA . 6918 1 921 . 1 1 78 78 ASP HB2 H 1 2.76 0.03 . 2 . . . . 78 ASP HB2 . 6918 1 922 . 1 1 78 78 ASP HB3 H 1 3.15 0.03 . 2 . . . . 78 ASP HB3 . 6918 1 923 . 1 1 78 78 ASP C C 13 177.55 0.40 . 1 . . . . 78 ASP C . 6918 1 924 . 1 1 78 78 ASP CA C 13 52.39 0.40 . 1 . . . . 78 ASP CA . 6918 1 925 . 1 1 78 78 ASP CB C 13 40.30 0.40 . 1 . . . . 78 ASP CB . 6918 1 926 . 1 1 78 78 ASP N N 15 115.31 0.20 . 1 . . . . 78 ASP N . 6918 1 927 . 1 1 79 79 GLY H H 1 7.86 0.03 . 1 . . . . 79 GLY H . 6918 1 928 . 1 1 79 79 GLY HA2 H 1 3.80 0.03 . 2 . . . . 79 GLY HA2 . 6918 1 929 . 1 1 79 79 GLY HA3 H 1 3.93 0.03 . 2 . . . . 79 GLY HA3 . 6918 1 930 . 1 1 79 79 GLY C C 13 175.27 0.40 . 1 . . . . 79 GLY C . 6918 1 931 . 1 1 79 79 GLY CA C 13 46.95 0.40 . 1 . . . . 79 GLY CA . 6918 1 932 . 1 1 79 79 GLY N N 15 109.00 0.20 . 1 . . . . 79 GLY N . 6918 1 933 . 1 1 80 80 SER H H 1 8.48 0.03 . 1 . . . . 80 SER H . 6918 1 934 . 1 1 80 80 SER HA H 1 4.26 0.03 . 1 . . . . 80 SER HA . 6918 1 935 . 1 1 80 80 SER HB2 H 1 4.28 0.03 . 2 . . . . 80 SER HB2 . 6918 1 936 . 1 1 80 80 SER HB3 H 1 4.04 0.03 . 2 . . . . 80 SER HB3 . 6918 1 937 . 1 1 80 80 SER C C 13 176.00 0.40 . 1 . . . . 80 SER C . 6918 1 938 . 1 1 80 80 SER CA C 13 60.08 0.40 . 1 . . . . 80 SER CA . 6918 1 939 . 1 1 80 80 SER CB C 13 64.85 0.40 . 1 . . . . 80 SER CB . 6918 1 940 . 1 1 80 80 SER N N 15 116.55 0.20 . 1 . . . . 80 SER N . 6918 1 941 . 1 1 81 81 GLY H H 1 10.89 0.03 . 1 . . . . 81 GLY H . 6918 1 942 . 1 1 81 81 GLY HA2 H 1 3.46 0.03 . 2 . . . . 81 GLY HA2 . 6918 1 943 . 1 1 81 81 GLY HA3 H 1 4.26 0.03 . 2 . . . . 81 GLY HA3 . 6918 1 944 . 1 1 81 81 GLY C C 13 172.66 0.40 . 1 . . . . 81 GLY C . 6918 1 945 . 1 1 81 81 GLY CA C 13 45.45 0.40 . 1 . . . . 81 GLY CA . 6918 1 946 . 1 1 81 81 GLY N N 15 116.59 0.20 . 1 . . . . 81 GLY N . 6918 1 947 . 1 1 82 82 THR H H 1 7.70 0.03 . 1 . . . . 82 THR H . 6918 1 948 . 1 1 82 82 THR HA H 1 4.70 0.03 . 1 . . . . 82 THR HA . 6918 1 949 . 1 1 82 82 THR HB H 1 3.91 0.03 . 1 . . . . 82 THR HB . 6918 1 950 . 1 1 82 82 THR HG21 H 1 1.18 0.03 . 1 . . . . 82 THR HG2 . 6918 1 951 . 1 1 82 82 THR HG22 H 1 1.18 0.03 . 1 . . . . 82 THR HG2 . 6918 1 952 . 1 1 82 82 THR HG23 H 1 1.18 0.03 . 1 . . . . 82 THR HG2 . 6918 1 953 . 1 1 82 82 THR C C 13 172.78 0.40 . 1 . . . . 82 THR C . 6918 1 954 . 1 1 82 82 THR CA C 13 58.30 0.40 . 1 . . . . 82 THR CA . 6918 1 955 . 1 1 82 82 THR CB C 13 73.45 0.40 . 1 . . . . 82 THR CB . 6918 1 956 . 1 1 82 82 THR CG2 C 13 22.06 0.40 . 1 . . . . 82 THR CG2 . 6918 1 957 . 1 1 82 82 THR N N 15 106.78 0.20 . 1 . . . . 82 THR N . 6918 1 958 . 1 1 83 83 ILE H H 1 9.59 0.03 . 1 . . . . 83 ILE H . 6918 1 959 . 1 1 83 83 ILE HA H 1 5.12 0.03 . 1 . . . . 83 ILE HA . 6918 1 960 . 1 1 83 83 ILE HB H 1 2.25 0.03 . 1 . . . . 83 ILE HB . 6918 1 961 . 1 1 83 83 ILE HG12 H 1 1.47 0.03 . 2 . . . . 83 ILE HG12 . 6918 1 962 . 1 1 83 83 ILE HG13 H 1 1.24 0.03 . 2 . . . . 83 ILE HG13 . 6918 1 963 . 1 1 83 83 ILE HG21 H 1 1.29 0.03 . 1 . . . . 83 ILE HG2 . 6918 1 964 . 1 1 83 83 ILE HG22 H 1 1.29 0.03 . 1 . . . . 83 ILE HG2 . 6918 1 965 . 1 1 83 83 ILE HG23 H 1 1.29 0.03 . 1 . . . . 83 ILE HG2 . 6918 1 966 . 1 1 83 83 ILE HD11 H 1 0.81 0.03 . 1 . . . . 83 ILE HD1 . 6918 1 967 . 1 1 83 83 ILE HD12 H 1 0.81 0.03 . 1 . . . . 83 ILE HD1 . 6918 1 968 . 1 1 83 83 ILE HD13 H 1 0.81 0.03 . 1 . . . . 83 ILE HD1 . 6918 1 969 . 1 1 83 83 ILE C C 13 175.65 0.40 . 1 . . . . 83 ILE C . 6918 1 970 . 1 1 83 83 ILE CA C 13 59.15 0.40 . 1 . . . . 83 ILE CA . 6918 1 971 . 1 1 83 83 ILE CB C 13 38.75 0.40 . 1 . . . . 83 ILE CB . 6918 1 972 . 1 1 83 83 ILE CG1 C 13 27.40 0.40 . 1 . . . . 83 ILE CG1 . 6918 1 973 . 1 1 83 83 ILE CG2 C 13 18.35 0.40 . 1 . . . . 83 ILE CG2 . 6918 1 974 . 1 1 83 83 ILE CD1 C 13 13.10 0.40 . 1 . . . . 83 ILE CD1 . 6918 1 975 . 1 1 83 83 ILE N N 15 127.21 0.20 . 1 . . . . 83 ILE N . 6918 1 976 . 1 1 84 84 ASP H H 1 9.26 0.03 . 1 . . . . 84 ASP H . 6918 1 977 . 1 1 84 84 ASP HA H 1 5.23 0.03 . 1 . . . . 84 ASP HA . 6918 1 978 . 1 1 84 84 ASP HB2 H 1 2.69 0.03 . 1 . . . . 84 ASP HB2 . 6918 1 979 . 1 1 84 84 ASP HB3 H 1 3.37 0.03 . 1 . . . . 84 ASP HB3 . 6918 1 980 . 1 1 84 84 ASP C C 13 175.69 0.40 . 1 . . . . 84 ASP C . 6918 1 981 . 1 1 84 84 ASP CA C 13 52.69 0.40 . 1 . . . . 84 ASP CA . 6918 1 982 . 1 1 84 84 ASP CB C 13 41.55 0.40 . 1 . . . . 84 ASP CB . 6918 1 983 . 1 1 84 84 ASP N N 15 129.58 0.20 . 1 . . . . 84 ASP N . 6918 1 984 . 1 1 85 85 PHE H H 1 8.83 0.03 . 1 . . . . 85 PHE H . 6918 1 985 . 1 1 85 85 PHE HA H 1 3.50 0.03 . 1 . . . . 85 PHE HA . 6918 1 986 . 1 1 85 85 PHE HB2 H 1 2.23 0.03 . 2 . . . . 85 PHE HB2 . 6918 1 987 . 1 1 85 85 PHE HB3 H 1 2.59 0.03 . 2 . . . . 85 PHE HB3 . 6918 1 988 . 1 1 85 85 PHE HD1 H 1 6.71 0.03 . 3 . . . . 85 PHE HD1 . 6918 1 989 . 1 1 85 85 PHE HE1 H 1 7.18 0.03 . 3 . . . . 85 PHE HE1 . 6918 1 990 . 1 1 85 85 PHE C C 13 176.27 0.40 . 1 . . . . 85 PHE C . 6918 1 991 . 1 1 85 85 PHE CA C 13 62.25 0.40 . 1 . . . . 85 PHE CA . 6918 1 992 . 1 1 85 85 PHE CB C 13 38.47 0.40 . 1 . . . . 85 PHE CB . 6918 1 993 . 1 1 85 85 PHE N N 15 118.70 0.20 . 1 . . . . 85 PHE N . 6918 1 994 . 1 1 86 86 GLU H H 1 8.03 0.03 . 1 . . . . 86 GLU H . 6918 1 995 . 1 1 86 86 GLU HA H 1 3.67 0.03 . 1 . . . . 86 GLU HA . 6918 1 996 . 1 1 86 86 GLU HB2 H 1 2.10 0.03 . 1 . . . . 86 GLU HB2 . 6918 1 997 . 1 1 86 86 GLU HB3 H 1 2.10 0.03 . 1 . . . . 86 GLU HB3 . 6918 1 998 . 1 1 86 86 GLU HG2 H 1 2.33 0.03 . 1 . . . . 86 GLU HG2 . 6918 1 999 . 1 1 86 86 GLU HG3 H 1 2.33 0.03 . 1 . . . . 86 GLU HG3 . 6918 1 1000 . 1 1 86 86 GLU C C 13 180.38 0.40 . 1 . . . . 86 GLU C . 6918 1 1001 . 1 1 86 86 GLU CA C 13 60.00 0.40 . 1 . . . . 86 GLU CA . 6918 1 1002 . 1 1 86 86 GLU CB C 13 28.72 0.40 . 1 . . . . 86 GLU CB . 6918 1 1003 . 1 1 86 86 GLU CG C 13 36.80 0.40 . 1 . . . . 86 GLU CG . 6918 1 1004 . 1 1 86 86 GLU N N 15 118.39 0.20 . 1 . . . . 86 GLU N . 6918 1 1005 . 1 1 87 87 GLU H H 1 8.62 0.03 . 1 . . . . 87 GLU H . 6918 1 1006 . 1 1 87 87 GLU HA H 1 4.11 0.03 . 1 . . . . 87 GLU HA . 6918 1 1007 . 1 1 87 87 GLU HB2 H 1 2.08 0.03 . 2 . . . . 87 GLU HB2 . 6918 1 1008 . 1 1 87 87 GLU HB3 H 1 2.55 0.03 . 2 . . . . 87 GLU HB3 . 6918 1 1009 . 1 1 87 87 GLU HG2 H 1 2.48 0.03 . 2 . . . . 87 GLU HG2 . 6918 1 1010 . 1 1 87 87 GLU HG3 H 1 2.99 0.03 . 2 . . . . 87 GLU HG3 . 6918 1 1011 . 1 1 87 87 GLU C C 13 178.92 0.40 . 1 . . . . 87 GLU C . 6918 1 1012 . 1 1 87 87 GLU CA C 13 58.65 0.40 . 1 . . . . 87 GLU CA . 6918 1 1013 . 1 1 87 87 GLU CB C 13 29.60 0.40 . 1 . . . . 87 GLU CB . 6918 1 1014 . 1 1 87 87 GLU CG C 13 36.84 0.40 . 1 . . . . 87 GLU CG . 6918 1 1015 . 1 1 87 87 GLU N N 15 121.27 0.20 . 1 . . . . 87 GLU N . 6918 1 1016 . 1 1 88 88 PHE H H 1 8.90 0.03 . 1 . . . . 88 PHE H . 6918 1 1017 . 1 1 88 88 PHE HA H 1 4.00 0.03 . 1 . . . . 88 PHE HA . 6918 1 1018 . 1 1 88 88 PHE HB2 H 1 3.27 0.03 . 1 . . . . 88 PHE HB2 . 6918 1 1019 . 1 1 88 88 PHE HB3 H 1 3.27 0.03 . 1 . . . . 88 PHE HB3 . 6918 1 1020 . 1 1 88 88 PHE HD1 H 1 7.10 0.03 . 3 . . . . 88 PHE HD1 . 6918 1 1021 . 1 1 88 88 PHE HE1 H 1 7.45 0.03 . 3 . . . . 88 PHE HE1 . 6918 1 1022 . 1 1 88 88 PHE HZ H 1 7.36 0.03 . 1 . . . . 88 PHE HZ . 6918 1 1023 . 1 1 88 88 PHE C C 13 176.85 0.40 . 1 . . . . 88 PHE C . 6918 1 1024 . 1 1 88 88 PHE CA C 13 61.50 0.40 . 1 . . . . 88 PHE CA . 6918 1 1025 . 1 1 88 88 PHE CB C 13 40.49 0.40 . 1 . . . . 88 PHE CB . 6918 1 1026 . 1 1 88 88 PHE N N 15 123.10 0.20 . 1 . . . . 88 PHE N . 6918 1 1027 . 1 1 89 89 LEU H H 1 8.83 0.03 . 1 . . . . 89 LEU H . 6918 1 1028 . 1 1 89 89 LEU HA H 1 3.65 0.03 . 1 . . . . 89 LEU HA . 6918 1 1029 . 1 1 89 89 LEU HB2 H 1 1.21 0.03 . 2 . . . . 89 LEU HB2 . 6918 1 1030 . 1 1 89 89 LEU HB3 H 1 1.49 0.03 . 2 . . . . 89 LEU HB3 . 6918 1 1031 . 1 1 89 89 LEU HG H 1 1.29 0.03 . 1 . . . . 89 LEU HG . 6918 1 1032 . 1 1 89 89 LEU HD11 H 1 0.79 0.03 . 1 . . . . 89 LEU HD1 . 6918 1 1033 . 1 1 89 89 LEU HD12 H 1 0.79 0.03 . 1 . . . . 89 LEU HD1 . 6918 1 1034 . 1 1 89 89 LEU HD13 H 1 0.79 0.03 . 1 . . . . 89 LEU HD1 . 6918 1 1035 . 1 1 89 89 LEU HD21 H 1 0.79 0.03 . 1 . . . . 89 LEU HD2 . 6918 1 1036 . 1 1 89 89 LEU HD22 H 1 0.79 0.03 . 1 . . . . 89 LEU HD2 . 6918 1 1037 . 1 1 89 89 LEU HD23 H 1 0.79 0.03 . 1 . . . . 89 LEU HD2 . 6918 1 1038 . 1 1 89 89 LEU C C 13 179.93 0.40 . 1 . . . . 89 LEU C . 6918 1 1039 . 1 1 89 89 LEU CA C 13 58.60 0.40 . 1 . . . . 89 LEU CA . 6918 1 1040 . 1 1 89 89 LEU CB C 13 41.27 0.40 . 1 . . . . 89 LEU CB . 6918 1 1041 . 1 1 89 89 LEU CG C 13 26.80 0.40 . 1 . . . . 89 LEU CG . 6918 1 1042 . 1 1 89 89 LEU CD1 C 13 25.50 0.40 . 1 . . . . 89 LEU CD1 . 6918 1 1043 . 1 1 89 89 LEU CD2 C 13 25.20 0.40 . 1 . . . . 89 LEU CD2 . 6918 1 1044 . 1 1 89 89 LEU N N 15 120.60 0.20 . 1 . . . . 89 LEU N . 6918 1 1045 . 1 1 90 90 THR H H 1 7.86 0.03 . 1 . . . . 90 THR H . 6918 1 1046 . 1 1 90 90 THR HA H 1 3.79 0.03 . 1 . . . . 90 THR HA . 6918 1 1047 . 1 1 90 90 THR HB H 1 4.38 0.03 . 1 . . . . 90 THR HB . 6918 1 1048 . 1 1 90 90 THR HG21 H 1 1.25 0.03 . 1 . . . . 90 THR HG2 . 6918 1 1049 . 1 1 90 90 THR HG22 H 1 1.25 0.03 . 1 . . . . 90 THR HG2 . 6918 1 1050 . 1 1 90 90 THR HG23 H 1 1.25 0.03 . 1 . . . . 90 THR HG2 . 6918 1 1051 . 1 1 90 90 THR C C 13 175.89 0.40 . 1 . . . . 90 THR C . 6918 1 1052 . 1 1 90 90 THR CA C 13 66.80 0.40 . 1 . . . . 90 THR CA . 6918 1 1053 . 1 1 90 90 THR CB C 13 68.40 0.40 . 1 . . . . 90 THR CB . 6918 1 1054 . 1 1 90 90 THR CG2 C 13 21.84 0.40 . 1 . . . . 90 THR CG2 . 6918 1 1055 . 1 1 90 90 THR N N 15 116.92 0.20 . 1 . . . . 90 THR N . 6918 1 1056 . 1 1 91 91 MET H H 1 7.67 0.03 . 1 . . . . 91 MET H . 6918 1 1057 . 1 1 91 91 MET HA H 1 3.97 0.03 . 1 . . . . 91 MET HA . 6918 1 1058 . 1 1 91 91 MET HB2 H 1 2.05 0.03 . 2 . . . . 91 MET HB2 . 6918 1 1059 . 1 1 91 91 MET HB3 H 1 2.22 0.03 . 2 . . . . 91 MET HB3 . 6918 1 1060 . 1 1 91 91 MET HG2 H 1 2.27 0.03 . 2 . . . . 91 MET HG2 . 6918 1 1061 . 1 1 91 91 MET HG3 H 1 2.52 0.03 . 2 . . . . 91 MET HG3 . 6918 1 1062 . 1 1 91 91 MET HE1 H 1 1.72 0.03 . 1 . . . . 91 MET HE . 6918 1 1063 . 1 1 91 91 MET HE2 H 1 1.72 0.03 . 1 . . . . 91 MET HE . 6918 1 1064 . 1 1 91 91 MET HE3 H 1 1.72 0.03 . 1 . . . . 91 MET HE . 6918 1 1065 . 1 1 91 91 MET C C 13 177.84 0.40 . 1 . . . . 91 MET C . 6918 1 1066 . 1 1 91 91 MET CA C 13 59.00 0.40 . 1 . . . . 91 MET CA . 6918 1 1067 . 1 1 91 91 MET CB C 13 32.52 0.40 . 1 . . . . 91 MET CB . 6918 1 1068 . 1 1 91 91 MET CG C 13 31.65 0.40 . 1 . . . . 91 MET CG . 6918 1 1069 . 1 1 91 91 MET CE C 13 17.40 0.40 . 1 . . . . 91 MET CE . 6918 1 1070 . 1 1 91 91 MET N N 15 122.01 0.20 . 1 . . . . 91 MET N . 6918 1 1071 . 1 1 92 92 MET H H 1 8.11 0.03 . 1 . . . . 92 MET H . 6918 1 1072 . 1 1 92 92 MET HA H 1 4.31 0.03 . 1 . . . . 92 MET HA . 6918 1 1073 . 1 1 92 92 MET HB2 H 1 1.88 0.03 . 2 . . . . 92 MET HB2 . 6918 1 1074 . 1 1 92 92 MET HB3 H 1 1.94 0.03 . 2 . . . . 92 MET HB3 . 6918 1 1075 . 1 1 92 92 MET HG2 H 1 1.95 0.03 . 1 . . . . 92 MET HG2 . 6918 1 1076 . 1 1 92 92 MET HG3 H 1 1.95 0.03 . 1 . . . . 92 MET HG3 . 6918 1 1077 . 1 1 92 92 MET HE1 H 1 1.96 0.03 . 1 . . . . 92 MET HE . 6918 1 1078 . 1 1 92 92 MET HE2 H 1 1.96 0.03 . 1 . . . . 92 MET HE . 6918 1 1079 . 1 1 92 92 MET HE3 H 1 1.96 0.03 . 1 . . . . 92 MET HE . 6918 1 1080 . 1 1 92 92 MET C C 13 178.37 0.40 . 1 . . . . 92 MET C . 6918 1 1081 . 1 1 92 92 MET CA C 13 56.06 0.40 . 1 . . . . 92 MET CA . 6918 1 1082 . 1 1 92 92 MET CB C 13 31.73 0.40 . 1 . . . . 92 MET CB . 6918 1 1083 . 1 1 92 92 MET CG C 13 32.60 0.40 . 1 . . . . 92 MET CG . 6918 1 1084 . 1 1 92 92 MET CE C 13 16.85 0.40 . 1 . . . . 92 MET CE . 6918 1 1085 . 1 1 92 92 MET N N 15 115.50 0.20 . 1 . . . . 92 MET N . 6918 1 1086 . 1 1 93 93 THR H H 1 7.89 0.03 . 1 . . . . 93 THR H . 6918 1 1087 . 1 1 93 93 THR HA H 1 4.30 0.03 . 1 . . . . 93 THR HA . 6918 1 1088 . 1 1 93 93 THR HB H 1 4.33 0.03 . 1 . . . . 93 THR HB . 6918 1 1089 . 1 1 93 93 THR HG21 H 1 1.22 0.03 . 1 . . . . 93 THR HG2 . 6918 1 1090 . 1 1 93 93 THR HG22 H 1 1.22 0.03 . 1 . . . . 93 THR HG2 . 6918 1 1091 . 1 1 93 93 THR HG23 H 1 1.22 0.03 . 1 . . . . 93 THR HG2 . 6918 1 1092 . 1 1 93 93 THR C C 13 175.39 0.40 . 1 . . . . 93 THR C . 6918 1 1093 . 1 1 93 93 THR CA C 13 63.22 0.40 . 1 . . . . 93 THR CA . 6918 1 1094 . 1 1 93 93 THR CB C 13 69.80 0.40 . 1 . . . . 93 THR CB . 6918 1 1095 . 1 1 93 93 THR CG2 C 13 21.80 0.40 . 1 . . . . 93 THR CG2 . 6918 1 1096 . 1 1 93 93 THR N N 15 110.80 0.20 . 1 . . . . 93 THR N . 6918 1 1097 . 1 1 94 94 ALA H H 1 7.57 0.03 . 1 . . . . 94 ALA H . 6918 1 1098 . 1 1 94 94 ALA HA H 1 4.38 0.03 . 1 . . . . 94 ALA HA . 6918 1 1099 . 1 1 94 94 ALA HB1 H 1 1.50 0.03 . 1 . . . . 94 ALA HB . 6918 1 1100 . 1 1 94 94 ALA HB2 H 1 1.50 0.03 . 1 . . . . 94 ALA HB . 6918 1 1101 . 1 1 94 94 ALA HB3 H 1 1.50 0.03 . 1 . . . . 94 ALA HB . 6918 1 1102 . 1 1 94 94 ALA C C 13 178.03 0.40 . 1 . . . . 94 ALA C . 6918 1 1103 . 1 1 94 94 ALA CA C 13 53.46 0.40 . 1 . . . . 94 ALA CA . 6918 1 1104 . 1 1 94 94 ALA CB C 13 19.35 0.40 . 1 . . . . 94 ALA CB . 6918 1 1105 . 1 1 94 94 ALA N N 15 123.90 0.20 . 1 . . . . 94 ALA N . 6918 1 1106 . 1 1 95 95 LYS H H 1 7.85 0.03 . 1 . . . . 95 LYS H . 6918 1 1107 . 1 1 95 95 LYS HA H 1 4.44 0.03 . 1 . . . . 95 LYS HA . 6918 1 1108 . 1 1 95 95 LYS HB2 H 1 1.81 0.03 . 2 . . . . 95 LYS HB2 . 6918 1 1109 . 1 1 95 95 LYS HB3 H 1 1.98 0.03 . 2 . . . . 95 LYS HB3 . 6918 1 1110 . 1 1 95 95 LYS HG2 H 1 1.44 0.03 . 1 . . . . 95 LYS HG2 . 6918 1 1111 . 1 1 95 95 LYS HG3 H 1 1.44 0.03 . 1 . . . . 95 LYS HG3 . 6918 1 1112 . 1 1 95 95 LYS HD2 H 1 1.64 0.03 . 1 . . . . 95 LYS HD2 . 6918 1 1113 . 1 1 95 95 LYS HD3 H 1 1.64 0.03 . 1 . . . . 95 LYS HD3 . 6918 1 1114 . 1 1 95 95 LYS HE2 H 1 2.89 0.03 . 1 . . . . 95 LYS HE2 . 6918 1 1115 . 1 1 95 95 LYS HE3 H 1 2.89 0.03 . 1 . . . . 95 LYS HE3 . 6918 1 1116 . 1 1 95 95 LYS C C 13 175.73 0.40 . 1 . . . . 95 LYS C . 6918 1 1117 . 1 1 95 95 LYS CA C 13 55.77 0.40 . 1 . . . . 95 LYS CA . 6918 1 1118 . 1 1 95 95 LYS CB C 13 32.97 0.40 . 1 . . . . 95 LYS CB . 6918 1 1119 . 1 1 95 95 LYS CG C 13 24.58 0.40 . 1 . . . . 95 LYS CG . 6918 1 1120 . 1 1 95 95 LYS CD C 13 28.76 0.40 . 1 . . . . 95 LYS CD . 6918 1 1121 . 1 1 95 95 LYS CE C 13 42.14 0.40 . 1 . . . . 95 LYS CE . 6918 1 1122 . 1 1 95 95 LYS N N 15 117.72 0.20 . 1 . . . . 95 LYS N . 6918 1 1123 . 1 1 96 96 MET H H 1 7.60 0.03 . 1 . . . . 96 MET H . 6918 1 1124 . 1 1 96 96 MET HA H 1 4.26 0.03 . 1 . . . . 96 MET HA . 6918 1 1125 . 1 1 96 96 MET HB2 H 1 1.97 0.03 . 2 . . . . 96 MET HB2 . 6918 1 1126 . 1 1 96 96 MET HB3 H 1 2.14 0.03 . 2 . . . . 96 MET HB3 . 6918 1 1127 . 1 1 96 96 MET HG2 H 1 2.56 0.03 . 1 . . . . 96 MET HG2 . 6918 1 1128 . 1 1 96 96 MET HG3 H 1 2.56 0.03 . 1 . . . . 96 MET HG3 . 6918 1 1129 . 1 1 96 96 MET HE1 H 1 2.06 0.03 . 1 . . . . 96 MET HE . 6918 1 1130 . 1 1 96 96 MET HE2 H 1 2.06 0.03 . 1 . . . . 96 MET HE . 6918 1 1131 . 1 1 96 96 MET HE3 H 1 2.06 0.03 . 1 . . . . 96 MET HE . 6918 1 1132 . 1 1 96 96 MET CA C 13 57.33 0.40 . 1 . . . . 96 MET CA . 6918 1 1133 . 1 1 96 96 MET CB C 13 34.10 0.40 . 1 . . . . 96 MET CB . 6918 1 1134 . 1 1 96 96 MET CG C 13 32.72 0.40 . 1 . . . . 96 MET CG . 6918 1 1135 . 1 1 96 96 MET CE C 13 17.20 0.40 . 1 . . . . 96 MET CE . 6918 1 1136 . 1 1 96 96 MET N N 15 125.77 0.20 . 1 . . . . 96 MET N . 6918 1 stop_ save_