data_6922 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6922 _Entry.Title ; Solution structure of the Vts1 SAM domain in the presence of RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-12 _Entry.Accession_date 2005-12-13 _Entry.Last_release_date 2007-02-06 _Entry.Original_release_date 2007-02-06 _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 '1H, 13C and 15N chemical shifts and 1H-15N residual dipolar couplings' _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 Thomas Edwards . A. . 6922 2 Joel Butterwick . A. . 6922 3 Arthur Palmer . G. . 6922 4 Aneel Aggarwal . K. . 6922 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6922 RDCs 1 6922 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 6922 '15N chemical shifts' 89 6922 '1H chemical shifts' 607 6922 'residual dipolar couplings' 46 6922 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 . . 2007-02-06 2005-12-12 original author . 6922 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6922 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16405996 _Citation.Full_citation . _Citation.Title 'Solution Structure of the Vts1 SAM Domain in the Presence of RNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 356 _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 1065 _Citation.Page_last 1072 _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 Thomas Edwards . A. . 6922 1 2 Joel Butterwick . A. . 6922 1 3 Lei Zeng . . . 6922 1 4 Yogesh Gupta . K. . 6922 1 5 Xin Wang . . . 6922 1 6 Robin Wharton . P. . 6922 1 7 Arthur Palmer . G. 3rd 6922 1 8 Aneel Aggarwal . K. . 6922 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SAM 6922 1 Vts1 6922 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6922 _Assembly.ID 1 _Assembly.Name 'Vts1:RNA dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 . _Assembly.Enzyme_commission_number . _Assembly.Details ; Vts1 (438-523) RNA 13nt (GGCUCUGGCAGCC) ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Vts1 1 $Vts1 . . yes native no no . . . 6922 1 2 'RNA 13nt' 2 $RNA . . no native no no . . . 6922 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vts1 _Entity.Sf_category entity _Entity.Sf_framecode Vts1 _Entity.Entry_ID 6922 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Vts1 (438-523)' _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 ; SNSSMNPKSLTDPKLLKNIP MWLKSLRLHKYSDALSGTPW IELIYLDDETLEKKGVLALG ARRKLLKAFGIVIDYKERDL IDRSAY ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6956 . Vts1p . . . . . 100.00 119 100.00 100.00 1.68e-53 . . . . 6922 1 2 no PDB 2B6G . "Rna Recognition By The Vts1 Sam Domain" . . . . . 98.84 119 100.00 100.00 1.53e-52 . . . . 6922 1 3 no PDB 2D3D . "Crystal Structure Of The Rna Binding Sam Domain Of Saccharomyces Cerevisiae Vts1" . . . . . 100.00 88 100.00 100.00 5.76e-53 . . . . 6922 1 4 no PDB 2F8K . "Sequence Specific Recognition Of Rna Hairpins By The Sam Domain Of Vts1" . . . . . 100.00 88 100.00 100.00 5.76e-53 . . . . 6922 1 5 no PDB 2FE9 . "Solution Structure Of The Vts1 Sam Domain In The Presence Of Rna" . . . . . 98.84 86 100.00 100.00 5.90e-52 . . . . 6922 1 6 no DBJ GAA26663 . "K7_Vts1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 523 100.00 100.00 2.23e-49 . . . . 6922 1 7 no EMBL CAA99688 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 523 100.00 100.00 2.35e-49 . . . . 6922 1 8 no GB AHY77628 . "Vts1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 523 98.84 100.00 8.09e-49 . . . . 6922 1 9 no GB EDN63679 . "VTi1-2 suppressor [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 523 100.00 100.00 2.35e-49 . . . . 6922 1 10 no GB EDV10919 . "protein VTS1 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 523 100.00 100.00 2.35e-49 . . . . 6922 1 11 no GB EDZ69055 . "YOR359Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 100.00 425 100.00 100.00 3.75e-52 . . . . 6922 1 12 no GB EEU07517 . "Vts1p [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 523 100.00 100.00 2.35e-49 . . . . 6922 1 13 no REF NP_015004 . "Vts1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 523 100.00 100.00 2.35e-49 . . . . 6922 1 14 no SP Q08831 . "RecName: Full=Protein VTS1; AltName: Full=VTI1-2 suppressor protein 1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 523 100.00 100.00 2.35e-49 . . . . 6922 1 15 no TPG DAA11120 . "TPA: Vts1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 523 100.00 100.00 2.35e-49 . . . . 6922 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 6922 1 2 . ASN . 6922 1 3 . SER . 6922 1 4 . SER . 6922 1 5 . MET . 6922 1 6 . ASN . 6922 1 7 . PRO . 6922 1 8 . LYS . 6922 1 9 . SER . 6922 1 10 . LEU . 6922 1 11 . THR . 6922 1 12 . ASP . 6922 1 13 . PRO . 6922 1 14 . LYS . 6922 1 15 . LEU . 6922 1 16 . LEU . 6922 1 17 . LYS . 6922 1 18 . ASN . 6922 1 19 . ILE . 6922 1 20 . PRO . 6922 1 21 . MET . 6922 1 22 . TRP . 6922 1 23 . LEU . 6922 1 24 . LYS . 6922 1 25 . SER . 6922 1 26 . LEU . 6922 1 27 . ARG . 6922 1 28 . LEU . 6922 1 29 . HIS . 6922 1 30 . LYS . 6922 1 31 . TYR . 6922 1 32 . SER . 6922 1 33 . ASP . 6922 1 34 . ALA . 6922 1 35 . LEU . 6922 1 36 . SER . 6922 1 37 . GLY . 6922 1 38 . THR . 6922 1 39 . PRO . 6922 1 40 . TRP . 6922 1 41 . ILE . 6922 1 42 . GLU . 6922 1 43 . LEU . 6922 1 44 . ILE . 6922 1 45 . TYR . 6922 1 46 . LEU . 6922 1 47 . ASP . 6922 1 48 . ASP . 6922 1 49 . GLU . 6922 1 50 . THR . 6922 1 51 . LEU . 6922 1 52 . GLU . 6922 1 53 . LYS . 6922 1 54 . LYS . 6922 1 55 . GLY . 6922 1 56 . VAL . 6922 1 57 . LEU . 6922 1 58 . ALA . 6922 1 59 . LEU . 6922 1 60 . GLY . 6922 1 61 . ALA . 6922 1 62 . ARG . 6922 1 63 . ARG . 6922 1 64 . LYS . 6922 1 65 . LEU . 6922 1 66 . LEU . 6922 1 67 . LYS . 6922 1 68 . ALA . 6922 1 69 . PHE . 6922 1 70 . GLY . 6922 1 71 . ILE . 6922 1 72 . VAL . 6922 1 73 . ILE . 6922 1 74 . ASP . 6922 1 75 . TYR . 6922 1 76 . LYS . 6922 1 77 . GLU . 6922 1 78 . ARG . 6922 1 79 . ASP . 6922 1 80 . LEU . 6922 1 81 . ILE . 6922 1 82 . ASP . 6922 1 83 . ARG . 6922 1 84 . SER . 6922 1 85 . ALA . 6922 1 86 . TYR . 6922 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 6922 1 . ASN 2 2 6922 1 . SER 3 3 6922 1 . SER 4 4 6922 1 . MET 5 5 6922 1 . ASN 6 6 6922 1 . PRO 7 7 6922 1 . LYS 8 8 6922 1 . SER 9 9 6922 1 . LEU 10 10 6922 1 . THR 11 11 6922 1 . ASP 12 12 6922 1 . PRO 13 13 6922 1 . LYS 14 14 6922 1 . LEU 15 15 6922 1 . LEU 16 16 6922 1 . LYS 17 17 6922 1 . ASN 18 18 6922 1 . ILE 19 19 6922 1 . PRO 20 20 6922 1 . MET 21 21 6922 1 . TRP 22 22 6922 1 . LEU 23 23 6922 1 . LYS 24 24 6922 1 . SER 25 25 6922 1 . LEU 26 26 6922 1 . ARG 27 27 6922 1 . LEU 28 28 6922 1 . HIS 29 29 6922 1 . LYS 30 30 6922 1 . TYR 31 31 6922 1 . SER 32 32 6922 1 . ASP 33 33 6922 1 . ALA 34 34 6922 1 . LEU 35 35 6922 1 . SER 36 36 6922 1 . GLY 37 37 6922 1 . THR 38 38 6922 1 . PRO 39 39 6922 1 . TRP 40 40 6922 1 . ILE 41 41 6922 1 . GLU 42 42 6922 1 . LEU 43 43 6922 1 . ILE 44 44 6922 1 . TYR 45 45 6922 1 . LEU 46 46 6922 1 . ASP 47 47 6922 1 . ASP 48 48 6922 1 . GLU 49 49 6922 1 . THR 50 50 6922 1 . LEU 51 51 6922 1 . GLU 52 52 6922 1 . LYS 53 53 6922 1 . LYS 54 54 6922 1 . GLY 55 55 6922 1 . VAL 56 56 6922 1 . LEU 57 57 6922 1 . ALA 58 58 6922 1 . LEU 59 59 6922 1 . GLY 60 60 6922 1 . ALA 61 61 6922 1 . ARG 62 62 6922 1 . ARG 63 63 6922 1 . LYS 64 64 6922 1 . LEU 65 65 6922 1 . LEU 66 66 6922 1 . LYS 67 67 6922 1 . ALA 68 68 6922 1 . PHE 69 69 6922 1 . GLY 70 70 6922 1 . ILE 71 71 6922 1 . VAL 72 72 6922 1 . ILE 73 73 6922 1 . ASP 74 74 6922 1 . TYR 75 75 6922 1 . LYS 76 76 6922 1 . GLU 77 77 6922 1 . ARG 78 78 6922 1 . ASP 79 79 6922 1 . LEU 80 80 6922 1 . ILE 81 81 6922 1 . ASP 82 82 6922 1 . ARG 83 83 6922 1 . SER 84 84 6922 1 . ALA 85 85 6922 1 . TYR 86 86 6922 1 stop_ save_ save_RNA _Entity.Sf_category entity _Entity.Sf_framecode RNA _Entity.Entry_ID 6922 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TCE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GGCUCUGGCAGCC _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . G . 6922 2 2 . G . 6922 2 3 . C . 6922 2 4 . U . 6922 2 5 . C . 6922 2 6 . U . 6922 2 7 . G . 6922 2 8 . G . 6922 2 9 . C . 6922 2 10 . A . 6922 2 11 . G . 6922 2 12 . C . 6922 2 13 . C . 6922 2 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 . G 1 1 6922 2 . G 2 2 6922 2 . C 3 3 6922 2 . U 4 4 6922 2 . C 5 5 6922 2 . U 6 6 6922 2 . G 7 7 6922 2 . G 8 8 6922 2 . C 9 9 6922 2 . A 10 10 6922 2 . G 11 11 6922 2 . C 12 12 6922 2 . C 13 13 6922 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 6922 _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 $Vts1 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6922 1 2 2 $RNA . 7227 organism . 'Drosophila melanogaster' 'Drosophila melanogaster' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 6922 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 6922 _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 $Vts1 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6922 1 2 2 $RNA . 'chemically synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6922 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6922 _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 'Vts1 (438-523)' '[U-13C; U-15N]' . . 1 $Vts1 . . 0.5 . . mM . . . . 6922 1 2 TCE . . . 2 $RNA . . 0.5 . . mM . . . . 6922 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 6922 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.25 0.05 pH 6922 1 temperature 303 1 K 6922 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 6922 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 6922 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 3 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 5 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 6 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 7 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 8 13C-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 9 15N-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 1 10 H(CCO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6922 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 6922 _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 . . . . . . . . . 6922 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6922 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6922 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 6922 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 1H15N_HSQC 1 $sample_1 isotropic 6922 1 2 HNCA 1 $sample_1 isotropic 6922 1 3 HN(CO)CA 1 $sample_1 isotropic 6922 1 4 HNCO 1 $sample_1 isotropic 6922 1 5 HN(CA)CO 1 $sample_1 isotropic 6922 1 6 HNCACB 1 $sample_1 isotropic 6922 1 7 HCCH-COSY 1 $sample_1 isotropic 6922 1 8 13C-NOESY 1 $sample_1 isotropic 6922 1 9 15N-NOESY 1 $sample_1 isotropic 6922 1 10 H(CCO)NH 1 $sample_1 isotropic 6922 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 2 2 ASN HD21 H 1 7.723 0.01 . 1 . . . . 2 ASN HD21 . 6922 1 2 . 1 1 2 2 ASN HD22 H 1 7.730 0.01 . 1 . . . . 2 ASN HD22 . 6922 1 3 . 1 1 2 2 ASN CB C 13 39.536 0.1 . 1 . . . . 2 ASN CB . 6922 1 4 . 1 1 2 2 ASN CG C 13 177.105 0.1 . 1 . . . . 2 ASN CG . 6922 1 5 . 1 1 2 2 ASN ND2 N 15 113.605 0.1 . 1 . . . . 2 ASN ND2 . 6922 1 6 . 1 1 3 3 SER HA H 1 4.464 0.01 . 1 . . . . 3 SER HA . 6922 1 7 . 1 1 3 3 SER HB2 H 1 3.858 0.01 . 1 . . . . 3 SER HB2 . 6922 1 8 . 1 1 3 3 SER HB3 H 1 3.948 0.01 . 1 . . . . 3 SER HB3 . 6922 1 9 . 1 1 3 3 SER C C 13 175.660 0.1 . 1 . . . . 3 SER C . 6922 1 10 . 1 1 3 3 SER CA C 13 59.165 0.1 . 1 . . . . 3 SER CA . 6922 1 11 . 1 1 3 3 SER CB C 13 63.844 0.1 . 1 . . . . 3 SER CB . 6922 1 12 . 1 1 4 4 SER H H 1 8.371 0.01 . 1 . . . . 4 SER H . 6922 1 13 . 1 1 4 4 SER HA H 1 4.330 0.01 . 1 . . . . 4 SER HA . 6922 1 14 . 1 1 4 4 SER HB2 H 1 3.864 0.01 . 1 . . . . 4 SER HB2 . 6922 1 15 . 1 1 4 4 SER C C 13 174.469 0.1 . 1 . . . . 4 SER C . 6922 1 16 . 1 1 4 4 SER CA C 13 59.379 0.1 . 1 . . . . 4 SER CA . 6922 1 17 . 1 1 4 4 SER CB C 13 63.818 0.1 . 1 . . . . 4 SER CB . 6922 1 18 . 1 1 4 4 SER N N 15 119.005 0.1 . 1 . . . . 4 SER N . 6922 1 19 . 1 1 5 5 MET H H 1 7.915 0.01 . 1 . . . . 5 MET H . 6922 1 20 . 1 1 5 5 MET HA H 1 4.346 0.01 . 1 . . . . 5 MET HA . 6922 1 21 . 1 1 5 5 MET HB2 H 1 1.770 0.01 . 1 . . . . 5 MET HB2 . 6922 1 22 . 1 1 5 5 MET HB3 H 1 1.886 0.01 . 1 . . . . 5 MET HB3 . 6922 1 23 . 1 1 5 5 MET HG2 H 1 2.244 0.01 . 1 . . . . 5 MET HG2 . 6922 1 24 . 1 1 5 5 MET HG3 H 1 2.444 0.01 . 1 . . . . 5 MET HG3 . 6922 1 25 . 1 1 5 5 MET HE1 H 1 1.887 0.01 . 1 . . . . 5 MET HE . 6922 1 26 . 1 1 5 5 MET HE2 H 1 1.887 0.01 . 1 . . . . 5 MET HE . 6922 1 27 . 1 1 5 5 MET HE3 H 1 1.887 0.01 . 1 . . . . 5 MET HE . 6922 1 28 . 1 1 5 5 MET C C 13 174.807 0.1 . 1 . . . . 5 MET C . 6922 1 29 . 1 1 5 5 MET CA C 13 54.582 0.1 . 1 . . . . 5 MET CA . 6922 1 30 . 1 1 5 5 MET CB C 13 32.190 0.1 . 1 . . . . 5 MET CB . 6922 1 31 . 1 1 5 5 MET CG C 13 32.957 0.1 . 1 . . . . 5 MET CG . 6922 1 32 . 1 1 5 5 MET CE C 13 18.066 0.1 . 1 . . . . 5 MET CE . 6922 1 33 . 1 1 5 5 MET N N 15 120.562 0.1 . 1 . . . . 5 MET N . 6922 1 34 . 1 1 6 6 ASN H H 1 7.985 0.01 . 1 . . . . 6 ASN H . 6922 1 35 . 1 1 6 6 ASN HA H 1 4.898 0.01 . 1 . . . . 6 ASN HA . 6922 1 36 . 1 1 6 6 ASN HB2 H 1 2.835 0.01 . 1 . . . . 6 ASN HB2 . 6922 1 37 . 1 1 6 6 ASN HB3 H 1 2.929 0.01 . 1 . . . . 6 ASN HB3 . 6922 1 38 . 1 1 6 6 ASN HD21 H 1 7.030 0.01 . 1 . . . . 6 ASN HD21 . 6922 1 39 . 1 1 6 6 ASN HD22 H 1 7.758 0.01 . 1 . . . . 6 ASN HD22 . 6922 1 40 . 1 1 6 6 ASN CA C 13 50.908 0.1 . 1 . . . . 6 ASN CA . 6922 1 41 . 1 1 6 6 ASN CB C 13 39.807 0.1 . 1 . . . . 6 ASN CB . 6922 1 42 . 1 1 6 6 ASN CG C 13 177.149 0.1 . 1 . . . . 6 ASN CG . 6922 1 43 . 1 1 6 6 ASN N N 15 121.231 0.1 . 1 . . . . 6 ASN N . 6922 1 44 . 1 1 6 6 ASN ND2 N 15 113.652 0.1 . 1 . . . . 6 ASN ND2 . 6922 1 45 . 1 1 7 7 PRO HA H 1 3.783 0.01 . 1 . . . . 7 PRO HA . 6922 1 46 . 1 1 7 7 PRO HB2 H 1 1.567 0.01 . 1 . . . . 7 PRO HB2 . 6922 1 47 . 1 1 7 7 PRO HB3 H 1 1.628 0.01 . 1 . . . . 7 PRO HB3 . 6922 1 48 . 1 1 7 7 PRO HG2 H 1 1.910 0.01 . 1 . . . . 7 PRO HG2 . 6922 1 49 . 1 1 7 7 PRO HG3 H 1 2.134 0.01 . 1 . . . . 7 PRO HG3 . 6922 1 50 . 1 1 7 7 PRO HD2 H 1 3.850 0.01 . 1 . . . . 7 PRO HD2 . 6922 1 51 . 1 1 7 7 PRO HD3 H 1 4.001 0.01 . 1 . . . . 7 PRO HD3 . 6922 1 52 . 1 1 7 7 PRO C C 13 177.905 0.1 . 1 . . . . 7 PRO C . 6922 1 53 . 1 1 7 7 PRO CA C 13 65.744 0.1 . 1 . . . . 7 PRO CA . 6922 1 54 . 1 1 7 7 PRO CB C 13 32.448 0.1 . 1 . . . . 7 PRO CB . 6922 1 55 . 1 1 7 7 PRO CG C 13 27.927 0.1 . 1 . . . . 7 PRO CG . 6922 1 56 . 1 1 7 7 PRO CD C 13 51.241 0.1 . 1 . . . . 7 PRO CD . 6922 1 57 . 1 1 8 8 LYS H H 1 8.047 0.01 . 1 . . . . 8 LYS H . 6922 1 58 . 1 1 8 8 LYS HA H 1 3.822 0.01 . 1 . . . . 8 LYS HA . 6922 1 59 . 1 1 8 8 LYS HB2 H 1 1.799 0.01 . 1 . . . . 8 LYS HB2 . 6922 1 60 . 1 1 8 8 LYS HG2 H 1 1.435 0.01 . 1 . . . . 8 LYS HG2 . 6922 1 61 . 1 1 8 8 LYS HG3 H 1 1.511 0.01 . 1 . . . . 8 LYS HG3 . 6922 1 62 . 1 1 8 8 LYS HD2 H 1 1.707 0.01 . 1 . . . . 8 LYS HD2 . 6922 1 63 . 1 1 8 8 LYS HE2 H 1 3.021 0.01 . 1 . . . . 8 LYS HE2 . 6922 1 64 . 1 1 8 8 LYS C C 13 178.194 0.1 . 1 . . . . 8 LYS C . 6922 1 65 . 1 1 8 8 LYS CA C 13 59.051 0.1 . 1 . . . . 8 LYS CA . 6922 1 66 . 1 1 8 8 LYS CB C 13 32.207 0.1 . 1 . . . . 8 LYS CB . 6922 1 67 . 1 1 8 8 LYS CG C 13 25.412 0.1 . 1 . . . . 8 LYS CG . 6922 1 68 . 1 1 8 8 LYS CD C 13 29.229 0.1 . 1 . . . . 8 LYS CD . 6922 1 69 . 1 1 8 8 LYS CE C 13 42.203 0.1 . 1 . . . . 8 LYS CE . 6922 1 70 . 1 1 8 8 LYS N N 15 116.882 0.1 . 1 . . . . 8 LYS N . 6922 1 71 . 1 1 9 9 SER H H 1 7.307 0.01 . 1 . . . . 9 SER H . 6922 1 72 . 1 1 9 9 SER HA H 1 4.410 0.01 . 1 . . . . 9 SER HA . 6922 1 73 . 1 1 9 9 SER HB2 H 1 3.807 0.01 . 1 . . . . 9 SER HB2 . 6922 1 74 . 1 1 9 9 SER HB3 H 1 3.869 0.01 . 1 . . . . 9 SER HB3 . 6922 1 75 . 1 1 9 9 SER C C 13 176.115 0.1 . 1 . . . . 9 SER C . 6922 1 76 . 1 1 9 9 SER CA C 13 60.531 0.1 . 1 . . . . 9 SER CA . 6922 1 77 . 1 1 9 9 SER CB C 13 63.181 0.1 . 1 . . . . 9 SER CB . 6922 1 78 . 1 1 9 9 SER N N 15 113.398 0.1 . 1 . . . . 9 SER N . 6922 1 79 . 1 1 10 10 LEU H H 1 7.647 0.01 . 1 . . . . 10 LEU H . 6922 1 80 . 1 1 10 10 LEU HA H 1 4.016 0.01 . 1 . . . . 10 LEU HA . 6922 1 81 . 1 1 10 10 LEU HB2 H 1 1.379 0.01 . 1 . . . . 10 LEU HB2 . 6922 1 82 . 1 1 10 10 LEU HB3 H 1 1.584 0.01 . 1 . . . . 10 LEU HB3 . 6922 1 83 . 1 1 10 10 LEU HG H 1 1.658 0.01 . 1 . . . . 10 LEU HG . 6922 1 84 . 1 1 10 10 LEU HD11 H 1 0.560 0.01 . 1 . . . . 10 LEU HD1 . 6922 1 85 . 1 1 10 10 LEU HD12 H 1 0.560 0.01 . 1 . . . . 10 LEU HD1 . 6922 1 86 . 1 1 10 10 LEU HD13 H 1 0.560 0.01 . 1 . . . . 10 LEU HD1 . 6922 1 87 . 1 1 10 10 LEU HD21 H 1 0.794 0.01 . 1 . . . . 10 LEU HD2 . 6922 1 88 . 1 1 10 10 LEU HD22 H 1 0.794 0.01 . 1 . . . . 10 LEU HD2 . 6922 1 89 . 1 1 10 10 LEU HD23 H 1 0.794 0.01 . 1 . . . . 10 LEU HD2 . 6922 1 90 . 1 1 10 10 LEU C C 13 177.684 0.1 . 1 . . . . 10 LEU C . 6922 1 91 . 1 1 10 10 LEU CA C 13 56.776 0.1 . 1 . . . . 10 LEU CA . 6922 1 92 . 1 1 10 10 LEU CB C 13 44.125 0.1 . 1 . . . . 10 LEU CB . 6922 1 93 . 1 1 10 10 LEU CG C 13 26.761 0.1 . 1 . . . . 10 LEU CG . 6922 1 94 . 1 1 10 10 LEU CD1 C 13 24.137 0.1 . 1 . . . . 10 LEU CD1 . 6922 1 95 . 1 1 10 10 LEU CD2 C 13 27.049 0.1 . 1 . . . . 10 LEU CD2 . 6922 1 96 . 1 1 10 10 LEU N N 15 116.473 0.1 . 1 . . . . 10 LEU N . 6922 1 97 . 1 1 11 11 THR H H 1 6.989 0.01 . 1 . . . . 11 THR H . 6922 1 98 . 1 1 11 11 THR HA H 1 4.164 0.01 . 1 . . . . 11 THR HA . 6922 1 99 . 1 1 11 11 THR HB H 1 4.391 0.01 . 1 . . . . 11 THR HB . 6922 1 100 . 1 1 11 11 THR HG21 H 1 0.846 0.01 . 1 . . . . 11 THR HG2 . 6922 1 101 . 1 1 11 11 THR HG22 H 1 0.846 0.01 . 1 . . . . 11 THR HG2 . 6922 1 102 . 1 1 11 11 THR HG23 H 1 0.846 0.01 . 1 . . . . 11 THR HG2 . 6922 1 103 . 1 1 11 11 THR C C 13 172.551 0.1 . 1 . . . . 11 THR C . 6922 1 104 . 1 1 11 11 THR CA C 13 59.816 0.1 . 1 . . . . 11 THR CA . 6922 1 105 . 1 1 11 11 THR CB C 13 68.877 0.1 . 1 . . . . 11 THR CB . 6922 1 106 . 1 1 11 11 THR CG2 C 13 21.357 0.1 . 1 . . . . 11 THR CG2 . 6922 1 107 . 1 1 11 11 THR N N 15 100.118 0.1 . 1 . . . . 11 THR N . 6922 1 108 . 1 1 12 12 ASP H H 1 6.961 0.01 . 1 . . . . 12 ASP H . 6922 1 109 . 1 1 12 12 ASP HA H 1 4.665 0.01 . 1 . . . . 12 ASP HA . 6922 1 110 . 1 1 12 12 ASP HB2 H 1 2.849 0.01 . 1 . . . . 12 ASP HB2 . 6922 1 111 . 1 1 12 12 ASP HB3 H 1 2.961 0.01 . 1 . . . . 12 ASP HB3 . 6922 1 112 . 1 1 12 12 ASP C C 13 176.350 0.1 . 1 . . . . 12 ASP C . 6922 1 113 . 1 1 12 12 ASP CA C 13 52.241 0.1 . 1 . . . . 12 ASP CA . 6922 1 114 . 1 1 12 12 ASP CB C 13 42.569 0.1 . 1 . . . . 12 ASP CB . 6922 1 115 . 1 1 12 12 ASP N N 15 125.108 0.1 . 1 . . . . 12 ASP N . 6922 1 116 . 1 1 13 13 PRO HA H 1 3.802 0.01 . 1 . . . . 13 PRO HA . 6922 1 117 . 1 1 13 13 PRO HB2 H 1 1.706 0.01 . 1 . . . . 13 PRO HB2 . 6922 1 118 . 1 1 13 13 PRO HG2 H 1 1.909 0.01 . 1 . . . . 13 PRO HG2 . 6922 1 119 . 1 1 13 13 PRO HG3 H 1 2.106 0.01 . 1 . . . . 13 PRO HG3 . 6922 1 120 . 1 1 13 13 PRO HD2 H 1 4.002 0.01 . 1 . . . . 13 PRO HD2 . 6922 1 121 . 1 1 13 13 PRO HD3 H 1 4.127 0.01 . 1 . . . . 13 PRO HD3 . 6922 1 122 . 1 1 13 13 PRO C C 13 177.692 0.1 . 1 . . . . 13 PRO C . 6922 1 123 . 1 1 13 13 PRO CA C 13 65.544 0.1 . 1 . . . . 13 PRO CA . 6922 1 124 . 1 1 13 13 PRO CB C 13 32.915 0.1 . 1 . . . . 13 PRO CB . 6922 1 125 . 1 1 13 13 PRO CG C 13 28.496 0.1 . 1 . . . . 13 PRO CG . 6922 1 126 . 1 1 13 13 PRO CD C 13 51.138 0.1 . 1 . . . . 13 PRO CD . 6922 1 127 . 1 1 14 14 LYS H H 1 8.146 0.01 . 1 . . . . 14 LYS H . 6922 1 128 . 1 1 14 14 LYS HA H 1 3.962 0.01 . 1 . . . . 14 LYS HA . 6922 1 129 . 1 1 14 14 LYS HB2 H 1 1.733 0.01 . 1 . . . . 14 LYS HB2 . 6922 1 130 . 1 1 14 14 LYS HB3 H 1 1.844 0.01 . 1 . . . . 14 LYS HB3 . 6922 1 131 . 1 1 14 14 LYS HG2 H 1 1.451 0.01 . 1 . . . . 14 LYS HG2 . 6922 1 132 . 1 1 14 14 LYS HD2 H 1 1.706 0.01 . 1 . . . . 14 LYS HD2 . 6922 1 133 . 1 1 14 14 LYS HE2 H 1 2.995 0.01 . 1 . . . . 14 LYS HE2 . 6922 1 134 . 1 1 14 14 LYS C C 13 179.070 0.1 . 1 . . . . 14 LYS C . 6922 1 135 . 1 1 14 14 LYS CA C 13 58.962 0.1 . 1 . . . . 14 LYS CA . 6922 1 136 . 1 1 14 14 LYS CB C 13 32.105 0.1 . 1 . . . . 14 LYS CB . 6922 1 137 . 1 1 14 14 LYS CG C 13 25.488 0.1 . 1 . . . . 14 LYS CG . 6922 1 138 . 1 1 14 14 LYS CD C 13 29.319 0.1 . 1 . . . . 14 LYS CD . 6922 1 139 . 1 1 14 14 LYS CE C 13 42.167 0.1 . 1 . . . . 14 LYS CE . 6922 1 140 . 1 1 14 14 LYS N N 15 114.902 0.1 . 1 . . . . 14 LYS N . 6922 1 141 . 1 1 15 15 LEU H H 1 7.439 0.01 . 1 . . . . 15 LEU H . 6922 1 142 . 1 1 15 15 LEU HA H 1 4.358 0.01 . 1 . . . . 15 LEU HA . 6922 1 143 . 1 1 15 15 LEU HB2 H 1 1.560 0.01 . 1 . . . . 15 LEU HB2 . 6922 1 144 . 1 1 15 15 LEU HB3 H 1 2.067 0.01 . 1 . . . . 15 LEU HB3 . 6922 1 145 . 1 1 15 15 LEU HG H 1 1.666 0.01 . 1 . . . . 15 LEU HG . 6922 1 146 . 1 1 15 15 LEU HD11 H 1 0.774 0.01 . 1 . . . . 15 LEU HD1 . 6922 1 147 . 1 1 15 15 LEU HD12 H 1 0.774 0.01 . 1 . . . . 15 LEU HD1 . 6922 1 148 . 1 1 15 15 LEU HD13 H 1 0.774 0.01 . 1 . . . . 15 LEU HD1 . 6922 1 149 . 1 1 15 15 LEU HD21 H 1 1.020 0.01 . 1 . . . . 15 LEU HD2 . 6922 1 150 . 1 1 15 15 LEU HD22 H 1 1.020 0.01 . 1 . . . . 15 LEU HD2 . 6922 1 151 . 1 1 15 15 LEU HD23 H 1 1.020 0.01 . 1 . . . . 15 LEU HD2 . 6922 1 152 . 1 1 15 15 LEU C C 13 178.810 0.1 . 1 . . . . 15 LEU C . 6922 1 153 . 1 1 15 15 LEU CA C 13 56.896 0.1 . 1 . . . . 15 LEU CA . 6922 1 154 . 1 1 15 15 LEU CB C 13 42.835 0.1 . 1 . . . . 15 LEU CB . 6922 1 155 . 1 1 15 15 LEU CG C 13 27.527 0.1 . 1 . . . . 15 LEU CG . 6922 1 156 . 1 1 15 15 LEU CD1 C 13 23.757 0.1 . 1 . . . . 15 LEU CD1 . 6922 1 157 . 1 1 15 15 LEU CD2 C 13 25.284 0.1 . 1 . . . . 15 LEU CD2 . 6922 1 158 . 1 1 15 15 LEU N N 15 117.874 0.1 . 1 . . . . 15 LEU N . 6922 1 159 . 1 1 16 16 LEU H H 1 8.228 0.01 . 1 . . . . 16 LEU H . 6922 1 160 . 1 1 16 16 LEU HA H 1 3.384 0.01 . 1 . . . . 16 LEU HA . 6922 1 161 . 1 1 16 16 LEU HB2 H 1 -0.226 0.01 . 1 . . . . 16 LEU HB2 . 6922 1 162 . 1 1 16 16 LEU HB3 H 1 0.796 0.01 . 1 . . . . 16 LEU HB3 . 6922 1 163 . 1 1 16 16 LEU HG H 1 1.107 0.01 . 1 . . . . 16 LEU HG . 6922 1 164 . 1 1 16 16 LEU HD11 H 1 -0.653 0.01 . 1 . . . . 16 LEU HD1 . 6922 1 165 . 1 1 16 16 LEU HD12 H 1 -0.653 0.01 . 1 . . . . 16 LEU HD1 . 6922 1 166 . 1 1 16 16 LEU HD13 H 1 -0.653 0.01 . 1 . . . . 16 LEU HD1 . 6922 1 167 . 1 1 16 16 LEU HD21 H 1 0.002 0.01 . 1 . . . . 16 LEU HD2 . 6922 1 168 . 1 1 16 16 LEU HD22 H 1 0.002 0.01 . 1 . . . . 16 LEU HD2 . 6922 1 169 . 1 1 16 16 LEU HD23 H 1 0.002 0.01 . 1 . . . . 16 LEU HD2 . 6922 1 170 . 1 1 16 16 LEU C C 13 177.935 0.1 . 1 . . . . 16 LEU C . 6922 1 171 . 1 1 16 16 LEU CA C 13 57.723 0.1 . 1 . . . . 16 LEU CA . 6922 1 172 . 1 1 16 16 LEU CB C 13 39.977 0.1 . 1 . . . . 16 LEU CB . 6922 1 173 . 1 1 16 16 LEU CG C 13 25.781 0.1 . 1 . . . . 16 LEU CG . 6922 1 174 . 1 1 16 16 LEU CD1 C 13 25.394 0.1 . 1 . . . . 16 LEU CD1 . 6922 1 175 . 1 1 16 16 LEU CD2 C 13 20.757 0.1 . 1 . . . . 16 LEU CD2 . 6922 1 176 . 1 1 16 16 LEU N N 15 119.115 0.1 . 1 . . . . 16 LEU N . 6922 1 177 . 1 1 17 17 LYS H H 1 6.982 0.01 . 1 . . . . 17 LYS H . 6922 1 178 . 1 1 17 17 LYS HA H 1 4.235 0.01 . 1 . . . . 17 LYS HA . 6922 1 179 . 1 1 17 17 LYS HB2 H 1 1.743 0.01 . 1 . . . . 17 LYS HB2 . 6922 1 180 . 1 1 17 17 LYS HB3 H 1 2.054 0.01 . 1 . . . . 17 LYS HB3 . 6922 1 181 . 1 1 17 17 LYS HG2 H 1 1.547 0.01 . 1 . . . . 17 LYS HG2 . 6922 1 182 . 1 1 17 17 LYS HG3 H 1 1.757 0.01 . 1 . . . . 17 LYS HG3 . 6922 1 183 . 1 1 17 17 LYS HD2 H 1 1.823 0.01 . 1 . . . . 17 LYS HD2 . 6922 1 184 . 1 1 17 17 LYS HE2 H 1 3.026 0.01 . 1 . . . . 17 LYS HE2 . 6922 1 185 . 1 1 17 17 LYS HE3 H 1 3.077 0.01 . 1 . . . . 17 LYS HE3 . 6922 1 186 . 1 1 17 17 LYS C C 13 175.367 0.1 . 1 . . . . 17 LYS C . 6922 1 187 . 1 1 17 17 LYS CA C 13 57.363 0.1 . 1 . . . . 17 LYS CA . 6922 1 188 . 1 1 17 17 LYS CB C 13 32.753 0.1 . 1 . . . . 17 LYS CB . 6922 1 189 . 1 1 17 17 LYS CG C 13 26.288 0.1 . 1 . . . . 17 LYS CG . 6922 1 190 . 1 1 17 17 LYS CD C 13 29.291 0.1 . 1 . . . . 17 LYS CD . 6922 1 191 . 1 1 17 17 LYS CE C 13 42.358 0.1 . 1 . . . . 17 LYS CE . 6922 1 192 . 1 1 17 17 LYS N N 15 110.458 0.1 . 1 . . . . 17 LYS N . 6922 1 193 . 1 1 18 18 ASN H H 1 7.691 0.01 . 1 . . . . 18 ASN H . 6922 1 194 . 1 1 18 18 ASN HA H 1 5.015 0.01 . 1 . . . . 18 ASN HA . 6922 1 195 . 1 1 18 18 ASN HB2 H 1 2.594 0.01 . 1 . . . . 18 ASN HB2 . 6922 1 196 . 1 1 18 18 ASN HB3 H 1 3.197 0.01 . 1 . . . . 18 ASN HB3 . 6922 1 197 . 1 1 18 18 ASN HD21 H 1 6.826 0.01 . 1 . . . . 18 ASN HD21 . 6922 1 198 . 1 1 18 18 ASN HD22 H 1 7.751 0.01 . 1 . . . . 18 ASN HD22 . 6922 1 199 . 1 1 18 18 ASN C C 13 173.647 0.1 . 1 . . . . 18 ASN C . 6922 1 200 . 1 1 18 18 ASN CA C 13 51.355 0.1 . 1 . . . . 18 ASN CA . 6922 1 201 . 1 1 18 18 ASN CB C 13 38.864 0.1 . 1 . . . . 18 ASN CB . 6922 1 202 . 1 1 18 18 ASN CG C 13 178.002 0.1 . 1 . . . . 18 ASN CG . 6922 1 203 . 1 1 18 18 ASN N N 15 121.759 0.1 . 1 . . . . 18 ASN N . 6922 1 204 . 1 1 18 18 ASN ND2 N 15 111.570 0.1 . 1 . . . . 18 ASN ND2 . 6922 1 205 . 1 1 19 19 ILE H H 1 8.936 0.01 . 1 . . . . 19 ILE H . 6922 1 206 . 1 1 19 19 ILE HA H 1 4.380 0.01 . 1 . . . . 19 ILE HA . 6922 1 207 . 1 1 19 19 ILE HB H 1 2.400 0.01 . 1 . . . . 19 ILE HB . 6922 1 208 . 1 1 19 19 ILE HG12 H 1 1.549 0.01 . 1 . . . . 19 ILE HG12 . 6922 1 209 . 1 1 19 19 ILE HG13 H 1 1.786 0.01 . 1 . . . . 19 ILE HG13 . 6922 1 210 . 1 1 19 19 ILE HG21 H 1 0.960 0.01 . 1 . . . . 19 ILE HG2 . 6922 1 211 . 1 1 19 19 ILE HG22 H 1 0.960 0.01 . 1 . . . . 19 ILE HG2 . 6922 1 212 . 1 1 19 19 ILE HG23 H 1 0.960 0.01 . 1 . . . . 19 ILE HG2 . 6922 1 213 . 1 1 19 19 ILE HD11 H 1 0.464 0.01 . 1 . . . . 19 ILE HD1 . 6922 1 214 . 1 1 19 19 ILE HD12 H 1 0.464 0.01 . 1 . . . . 19 ILE HD1 . 6922 1 215 . 1 1 19 19 ILE HD13 H 1 0.464 0.01 . 1 . . . . 19 ILE HD1 . 6922 1 216 . 1 1 19 19 ILE C C 13 175.177 0.1 . 1 . . . . 19 ILE C . 6922 1 217 . 1 1 19 19 ILE CA C 13 62.542 0.1 . 1 . . . . 19 ILE CA . 6922 1 218 . 1 1 19 19 ILE CB C 13 33.791 0.1 . 1 . . . . 19 ILE CB . 6922 1 219 . 1 1 19 19 ILE CG1 C 13 26.988 0.1 . 1 . . . . 19 ILE CG1 . 6922 1 220 . 1 1 19 19 ILE CG2 C 13 17.652 0.1 . 1 . . . . 19 ILE CG2 . 6922 1 221 . 1 1 19 19 ILE CD1 C 13 8.076 0.1 . 1 . . . . 19 ILE CD1 . 6922 1 222 . 1 1 19 19 ILE N N 15 123.547 0.1 . 1 . . . . 19 ILE N . 6922 1 223 . 1 1 20 20 PRO HA H 1 4.390 0.01 . 1 . . . . 20 PRO HA . 6922 1 224 . 1 1 20 20 PRO HB2 H 1 1.871 0.01 . 1 . . . . 20 PRO HB2 . 6922 1 225 . 1 1 20 20 PRO HB3 H 1 2.519 0.01 . 1 . . . . 20 PRO HB3 . 6922 1 226 . 1 1 20 20 PRO HG2 H 1 2.003 0.01 . 1 . . . . 20 PRO HG2 . 6922 1 227 . 1 1 20 20 PRO HG3 H 1 2.290 0.01 . 1 . . . . 20 PRO HG3 . 6922 1 228 . 1 1 20 20 PRO HD2 H 1 3.773 0.01 . 1 . . . . 20 PRO HD2 . 6922 1 229 . 1 1 20 20 PRO HD3 H 1 4.054 0.01 . 1 . . . . 20 PRO HD3 . 6922 1 230 . 1 1 20 20 PRO C C 13 180.266 0.1 . 1 . . . . 20 PRO C . 6922 1 231 . 1 1 20 20 PRO CA C 13 67.950 0.1 . 1 . . . . 20 PRO CA . 6922 1 232 . 1 1 20 20 PRO CB C 13 31.847 0.1 . 1 . . . . 20 PRO CB . 6922 1 233 . 1 1 20 20 PRO CG C 13 29.279 0.1 . 1 . . . . 20 PRO CG . 6922 1 234 . 1 1 20 20 PRO CD C 13 50.071 0.1 . 1 . . . . 20 PRO CD . 6922 1 235 . 1 1 21 21 MET H H 1 7.652 0.01 . 1 . . . . 21 MET H . 6922 1 236 . 1 1 21 21 MET HA H 1 4.503 0.01 . 1 . . . . 21 MET HA . 6922 1 237 . 1 1 21 21 MET HB2 H 1 2.061 0.01 . 1 . . . . 21 MET HB2 . 6922 1 238 . 1 1 21 21 MET HB3 H 1 2.251 0.01 . 1 . . . . 21 MET HB3 . 6922 1 239 . 1 1 21 21 MET HG2 H 1 2.514 0.01 . 1 . . . . 21 MET HG2 . 6922 1 240 . 1 1 21 21 MET HG3 H 1 2.737 0.01 . 1 . . . . 21 MET HG3 . 6922 1 241 . 1 1 21 21 MET HE1 H 1 2.060 0.01 . 1 . . . . 21 MET HE . 6922 1 242 . 1 1 21 21 MET HE2 H 1 2.060 0.01 . 1 . . . . 21 MET HE . 6922 1 243 . 1 1 21 21 MET HE3 H 1 2.060 0.01 . 1 . . . . 21 MET HE . 6922 1 244 . 1 1 21 21 MET C C 13 179.317 0.1 . 1 . . . . 21 MET C . 6922 1 245 . 1 1 21 21 MET CA C 13 57.387 0.1 . 1 . . . . 21 MET CA . 6922 1 246 . 1 1 21 21 MET CB C 13 32.726 0.1 . 1 . . . . 21 MET CB . 6922 1 247 . 1 1 21 21 MET CG C 13 33.263 0.1 . 1 . . . . 21 MET CG . 6922 1 248 . 1 1 21 21 MET CE C 13 17.368 0.1 . 1 . . . . 21 MET CE . 6922 1 249 . 1 1 21 21 MET N N 15 116.433 0.1 . 1 . . . . 21 MET N . 6922 1 250 . 1 1 22 22 TRP H H 1 8.836 0.01 . 1 . . . . 22 TRP H . 6922 1 251 . 1 1 22 22 TRP HA H 1 3.894 0.01 . 1 . . . . 22 TRP HA . 6922 1 252 . 1 1 22 22 TRP HB2 H 1 3.583 0.01 . 1 . . . . 22 TRP HB2 . 6922 1 253 . 1 1 22 22 TRP HB3 H 1 3.703 0.01 . 1 . . . . 22 TRP HB3 . 6922 1 254 . 1 1 22 22 TRP HD1 H 1 6.753 0.01 . 1 . . . . 22 TRP HD1 . 6922 1 255 . 1 1 22 22 TRP HE1 H 1 10.650 0.01 . 1 . . . . 22 TRP HE1 . 6922 1 256 . 1 1 22 22 TRP HE3 H 1 7.218 0.01 . 1 . . . . 22 TRP HE3 . 6922 1 257 . 1 1 22 22 TRP HZ2 H 1 7.083 0.01 . 1 . . . . 22 TRP HZ2 . 6922 1 258 . 1 1 22 22 TRP HZ3 H 1 6.757 0.01 . 1 . . . . 22 TRP HZ3 . 6922 1 259 . 1 1 22 22 TRP HH2 H 1 7.039 0.01 . 1 . . . . 22 TRP HH2 . 6922 1 260 . 1 1 22 22 TRP C C 13 180.284 0.1 . 1 . . . . 22 TRP C . 6922 1 261 . 1 1 22 22 TRP CA C 13 63.631 0.1 . 1 . . . . 22 TRP CA . 6922 1 262 . 1 1 22 22 TRP CB C 13 29.212 0.1 . 1 . . . . 22 TRP CB . 6922 1 263 . 1 1 22 22 TRP CD1 C 13 125.680 0.1 . 1 . . . . 22 TRP CD1 . 6922 1 264 . 1 1 22 22 TRP CE3 C 13 119.866 0.1 . 1 . . . . 22 TRP CE3 . 6922 1 265 . 1 1 22 22 TRP CZ2 C 13 113.287 0.1 . 1 . . . . 22 TRP CZ2 . 6922 1 266 . 1 1 22 22 TRP CZ3 C 13 121.457 0.1 . 1 . . . . 22 TRP CZ3 . 6922 1 267 . 1 1 22 22 TRP CH2 C 13 123.904 0.1 . 1 . . . . 22 TRP CH2 . 6922 1 268 . 1 1 22 22 TRP N N 15 128.107 0.1 . 1 . . . . 22 TRP N . 6922 1 269 . 1 1 22 22 TRP NE1 N 15 131.334 0.1 . 1 . . . . 22 TRP NE1 . 6922 1 270 . 1 1 23 23 LEU H H 1 9.649 0.01 . 1 . . . . 23 LEU H . 6922 1 271 . 1 1 23 23 LEU HA H 1 3.921 0.01 . 1 . . . . 23 LEU HA . 6922 1 272 . 1 1 23 23 LEU HB2 H 1 1.044 0.01 . 1 . . . . 23 LEU HB2 . 6922 1 273 . 1 1 23 23 LEU HB3 H 1 2.088 0.01 . 1 . . . . 23 LEU HB3 . 6922 1 274 . 1 1 23 23 LEU HG H 1 2.268 0.01 . 1 . . . . 23 LEU HG . 6922 1 275 . 1 1 23 23 LEU HD11 H 1 0.931 0.01 . 1 . . . . 23 LEU HD1 . 6922 1 276 . 1 1 23 23 LEU HD12 H 1 0.931 0.01 . 1 . . . . 23 LEU HD1 . 6922 1 277 . 1 1 23 23 LEU HD13 H 1 0.931 0.01 . 1 . . . . 23 LEU HD1 . 6922 1 278 . 1 1 23 23 LEU HD21 H 1 1.060 0.01 . 1 . . . . 23 LEU HD2 . 6922 1 279 . 1 1 23 23 LEU HD22 H 1 1.060 0.01 . 1 . . . . 23 LEU HD2 . 6922 1 280 . 1 1 23 23 LEU HD23 H 1 1.060 0.01 . 1 . . . . 23 LEU HD2 . 6922 1 281 . 1 1 23 23 LEU C C 13 181.091 0.1 . 1 . . . . 23 LEU C . 6922 1 282 . 1 1 23 23 LEU CA C 13 58.006 0.1 . 1 . . . . 23 LEU CA . 6922 1 283 . 1 1 23 23 LEU CB C 13 41.246 0.1 . 1 . . . . 23 LEU CB . 6922 1 284 . 1 1 23 23 LEU CG C 13 27.758 0.1 . 1 . . . . 23 LEU CG . 6922 1 285 . 1 1 23 23 LEU CD1 C 13 27.366 0.1 . 1 . . . . 23 LEU CD1 . 6922 1 286 . 1 1 23 23 LEU CD2 C 13 23.479 0.1 . 1 . . . . 23 LEU CD2 . 6922 1 287 . 1 1 23 23 LEU N N 15 117.464 0.1 . 1 . . . . 23 LEU N . 6922 1 288 . 1 1 24 24 LYS H H 1 8.312 0.01 . 1 . . . . 24 LYS H . 6922 1 289 . 1 1 24 24 LYS HA H 1 4.432 0.01 . 1 . . . . 24 LYS HA . 6922 1 290 . 1 1 24 24 LYS HB2 H 1 1.959 0.01 . 1 . . . . 24 LYS HB2 . 6922 1 291 . 1 1 24 24 LYS HB3 H 1 2.139 0.01 . 1 . . . . 24 LYS HB3 . 6922 1 292 . 1 1 24 24 LYS HG2 H 1 1.068 0.01 . 1 . . . . 24 LYS HG2 . 6922 1 293 . 1 1 24 24 LYS HG3 H 1 1.394 0.01 . 1 . . . . 24 LYS HG3 . 6922 1 294 . 1 1 24 24 LYS HD2 H 1 1.236 0.01 . 1 . . . . 24 LYS HD2 . 6922 1 295 . 1 1 24 24 LYS HD3 H 1 1.394 0.01 . 1 . . . . 24 LYS HD3 . 6922 1 296 . 1 1 24 24 LYS HE2 H 1 2.646 0.01 . 1 . . . . 24 LYS HE2 . 6922 1 297 . 1 1 24 24 LYS C C 13 180.308 0.1 . 1 . . . . 24 LYS C . 6922 1 298 . 1 1 24 24 LYS CA C 13 59.764 0.1 . 1 . . . . 24 LYS CA . 6922 1 299 . 1 1 24 24 LYS CB C 13 32.151 0.1 . 1 . . . . 24 LYS CB . 6922 1 300 . 1 1 24 24 LYS CG C 13 24.866 0.1 . 1 . . . . 24 LYS CG . 6922 1 301 . 1 1 24 24 LYS CD C 13 28.855 0.1 . 1 . . . . 24 LYS CD . 6922 1 302 . 1 1 24 24 LYS CE C 13 42.208 0.1 . 1 . . . . 24 LYS CE . 6922 1 303 . 1 1 24 24 LYS N N 15 122.675 0.1 . 1 . . . . 24 LYS N . 6922 1 304 . 1 1 25 25 SER H H 1 8.031 0.01 . 1 . . . . 25 SER H . 6922 1 305 . 1 1 25 25 SER HA H 1 4.175 0.01 . 1 . . . . 25 SER HA . 6922 1 306 . 1 1 25 25 SER HB2 H 1 3.853 0.01 . 1 . . . . 25 SER HB2 . 6922 1 307 . 1 1 25 25 SER C C 13 174.868 0.1 . 1 . . . . 25 SER C . 6922 1 308 . 1 1 25 25 SER CA C 13 62.205 0.1 . 1 . . . . 25 SER CA . 6922 1 309 . 1 1 25 25 SER CB C 13 62.553 0.1 . 1 . . . . 25 SER CB . 6922 1 310 . 1 1 25 25 SER N N 15 118.346 0.1 . 1 . . . . 25 SER N . 6922 1 311 . 1 1 26 26 LEU H H 1 6.739 0.01 . 1 . . . . 26 LEU H . 6922 1 312 . 1 1 26 26 LEU HA H 1 4.247 0.01 . 1 . . . . 26 LEU HA . 6922 1 313 . 1 1 26 26 LEU HB2 H 1 1.258 0.01 . 1 . . . . 26 LEU HB2 . 6922 1 314 . 1 1 26 26 LEU HB3 H 1 1.397 0.01 . 1 . . . . 26 LEU HB3 . 6922 1 315 . 1 1 26 26 LEU HG H 1 1.091 0.01 . 1 . . . . 26 LEU HG . 6922 1 316 . 1 1 26 26 LEU HD11 H 1 -0.254 0.01 . 1 . . . . 26 LEU HD1 . 6922 1 317 . 1 1 26 26 LEU HD12 H 1 -0.254 0.01 . 1 . . . . 26 LEU HD1 . 6922 1 318 . 1 1 26 26 LEU HD13 H 1 -0.254 0.01 . 1 . . . . 26 LEU HD1 . 6922 1 319 . 1 1 26 26 LEU HD21 H 1 0.469 0.01 . 1 . . . . 26 LEU HD2 . 6922 1 320 . 1 1 26 26 LEU HD22 H 1 0.469 0.01 . 1 . . . . 26 LEU HD2 . 6922 1 321 . 1 1 26 26 LEU HD23 H 1 0.469 0.01 . 1 . . . . 26 LEU HD2 . 6922 1 322 . 1 1 26 26 LEU C C 13 175.507 0.1 . 1 . . . . 26 LEU C . 6922 1 323 . 1 1 26 26 LEU CA C 13 54.429 0.1 . 1 . . . . 26 LEU CA . 6922 1 324 . 1 1 26 26 LEU CB C 13 44.779 0.1 . 1 . . . . 26 LEU CB . 6922 1 325 . 1 1 26 26 LEU CG C 13 26.123 0.1 . 1 . . . . 26 LEU CG . 6922 1 326 . 1 1 26 26 LEU CD1 C 13 25.335 0.1 . 1 . . . . 26 LEU CD1 . 6922 1 327 . 1 1 26 26 LEU CD2 C 13 23.649 0.1 . 1 . . . . 26 LEU CD2 . 6922 1 328 . 1 1 26 26 LEU N N 15 120.037 0.1 . 1 . . . . 26 LEU N . 6922 1 329 . 1 1 27 27 ARG H H 1 8.337 0.01 . 1 . . . . 27 ARG H . 6922 1 330 . 1 1 27 27 ARG HA H 1 4.438 0.01 . 1 . . . . 27 ARG HA . 6922 1 331 . 1 1 27 27 ARG HB2 H 1 2.096 0.01 . 1 . . . . 27 ARG HB2 . 6922 1 332 . 1 1 27 27 ARG HB3 H 1 2.229 0.01 . 1 . . . . 27 ARG HB3 . 6922 1 333 . 1 1 27 27 ARG HG2 H 1 1.724 0.01 . 1 . . . . 27 ARG HG2 . 6922 1 334 . 1 1 27 27 ARG HG3 H 1 1.771 0.01 . 1 . . . . 27 ARG HG3 . 6922 1 335 . 1 1 27 27 ARG HD2 H 1 3.369 0.01 . 1 . . . . 27 ARG HD2 . 6922 1 336 . 1 1 27 27 ARG HE H 1 7.240 0.01 . 1 . . . . 27 ARG HE . 6922 1 337 . 1 1 27 27 ARG C C 13 177.296 0.1 . 1 . . . . 27 ARG C . 6922 1 338 . 1 1 27 27 ARG CA C 13 58.239 0.1 . 1 . . . . 27 ARG CA . 6922 1 339 . 1 1 27 27 ARG CB C 13 26.455 0.1 . 1 . . . . 27 ARG CB . 6922 1 340 . 1 1 27 27 ARG CG C 13 28.855 0.1 . 1 . . . . 27 ARG CG . 6922 1 341 . 1 1 27 27 ARG CD C 13 43.581 0.1 . 1 . . . . 27 ARG CD . 6922 1 342 . 1 1 27 27 ARG CZ C 13 159.948 0.1 . 1 . . . . 27 ARG CZ . 6922 1 343 . 1 1 27 27 ARG N N 15 115.405 0.1 . 1 . . . . 27 ARG N . 6922 1 344 . 1 1 27 27 ARG NE N 15 85.971 0.1 . 1 . . . . 27 ARG NE . 6922 1 345 . 1 1 28 28 LEU H H 1 8.483 0.01 . 1 . . . . 28 LEU H . 6922 1 346 . 1 1 28 28 LEU HA H 1 4.687 0.01 . 1 . . . . 28 LEU HA . 6922 1 347 . 1 1 28 28 LEU HB2 H 1 1.397 0.01 . 1 . . . . 28 LEU HB2 . 6922 1 348 . 1 1 28 28 LEU HB3 H 1 2.038 0.01 . 1 . . . . 28 LEU HB3 . 6922 1 349 . 1 1 28 28 LEU HG H 1 1.537 0.01 . 1 . . . . 28 LEU HG . 6922 1 350 . 1 1 28 28 LEU HD11 H 1 0.595 0.01 . 1 . . . . 28 LEU HD1 . 6922 1 351 . 1 1 28 28 LEU HD12 H 1 0.595 0.01 . 1 . . . . 28 LEU HD1 . 6922 1 352 . 1 1 28 28 LEU HD13 H 1 0.595 0.01 . 1 . . . . 28 LEU HD1 . 6922 1 353 . 1 1 28 28 LEU HD21 H 1 0.880 0.01 . 1 . . . . 28 LEU HD2 . 6922 1 354 . 1 1 28 28 LEU HD22 H 1 0.880 0.01 . 1 . . . . 28 LEU HD2 . 6922 1 355 . 1 1 28 28 LEU HD23 H 1 0.880 0.01 . 1 . . . . 28 LEU HD2 . 6922 1 356 . 1 1 28 28 LEU C C 13 175.975 0.1 . 1 . . . . 28 LEU C . 6922 1 357 . 1 1 28 28 LEU CA C 13 54.165 0.1 . 1 . . . . 28 LEU CA . 6922 1 358 . 1 1 28 28 LEU CB C 13 44.315 0.1 . 1 . . . . 28 LEU CB . 6922 1 359 . 1 1 28 28 LEU CG C 13 25.587 0.1 . 1 . . . . 28 LEU CG . 6922 1 360 . 1 1 28 28 LEU CD1 C 13 26.732 0.1 . 1 . . . . 28 LEU CD1 . 6922 1 361 . 1 1 28 28 LEU CD2 C 13 24.111 0.1 . 1 . . . . 28 LEU CD2 . 6922 1 362 . 1 1 28 28 LEU N N 15 120.580 0.1 . 1 . . . . 28 LEU N . 6922 1 363 . 1 1 29 29 HIS H H 1 9.714 0.01 . 1 . . . . 29 HIS H . 6922 1 364 . 1 1 29 29 HIS HA H 1 4.126 0.01 . 1 . . . . 29 HIS HA . 6922 1 365 . 1 1 29 29 HIS HB2 H 1 2.679 0.01 . 1 . . . . 29 HIS HB2 . 6922 1 366 . 1 1 29 29 HIS HB3 H 1 3.328 0.01 . 1 . . . . 29 HIS HB3 . 6922 1 367 . 1 1 29 29 HIS HD2 H 1 7.039 0.01 . 1 . . . . 29 HIS HD2 . 6922 1 368 . 1 1 29 29 HIS HE1 H 1 7.573 0.01 . 1 . . . . 29 HIS HE1 . 6922 1 369 . 1 1 29 29 HIS C C 13 177.362 0.1 . 1 . . . . 29 HIS C . 6922 1 370 . 1 1 29 29 HIS CA C 13 59.037 0.1 . 1 . . . . 29 HIS CA . 6922 1 371 . 1 1 29 29 HIS CB C 13 29.716 0.1 . 1 . . . . 29 HIS CB . 6922 1 372 . 1 1 29 29 HIS CD2 C 13 118.686 0.1 . 1 . . . . 29 HIS CD2 . 6922 1 373 . 1 1 29 29 HIS CE1 C 13 139.042 0.1 . 1 . . . . 29 HIS CE1 . 6922 1 374 . 1 1 29 29 HIS N N 15 120.687 0.1 . 1 . . . . 29 HIS N . 6922 1 375 . 1 1 30 30 LYS H H 1 8.383 0.01 . 1 . . . . 30 LYS H . 6922 1 376 . 1 1 30 30 LYS HA H 1 4.042 0.01 . 1 . . . . 30 LYS HA . 6922 1 377 . 1 1 30 30 LYS HB2 H 1 0.994 0.01 . 1 . . . . 30 LYS HB2 . 6922 1 378 . 1 1 30 30 LYS HB3 H 1 1.674 0.01 . 1 . . . . 30 LYS HB3 . 6922 1 379 . 1 1 30 30 LYS HG2 H 1 0.011 0.01 . 1 . . . . 30 LYS HG2 . 6922 1 380 . 1 1 30 30 LYS HG3 H 1 0.536 0.01 . 1 . . . . 30 LYS HG3 . 6922 1 381 . 1 1 30 30 LYS HD2 H 1 1.546 0.01 . 1 . . . . 30 LYS HD2 . 6922 1 382 . 1 1 30 30 LYS HE2 H 1 2.716 0.01 . 1 . . . . 30 LYS HE2 . 6922 1 383 . 1 1 30 30 LYS HE3 H 1 2.876 0.01 . 1 . . . . 30 LYS HE3 . 6922 1 384 . 1 1 30 30 LYS C C 13 177.171 0.1 . 1 . . . . 30 LYS C . 6922 1 385 . 1 1 30 30 LYS CA C 13 58.916 0.1 . 1 . . . . 30 LYS CA . 6922 1 386 . 1 1 30 30 LYS CB C 13 31.772 0.1 . 1 . . . . 30 LYS CB . 6922 1 387 . 1 1 30 30 LYS CG C 13 23.402 0.1 . 1 . . . . 30 LYS CG . 6922 1 388 . 1 1 30 30 LYS CD C 13 29.735 0.1 . 1 . . . . 30 LYS CD . 6922 1 389 . 1 1 30 30 LYS CE C 13 42.037 0.1 . 1 . . . . 30 LYS CE . 6922 1 390 . 1 1 30 30 LYS N N 15 125.128 0.1 . 1 . . . . 30 LYS N . 6922 1 391 . 1 1 31 31 TYR H H 1 7.789 0.01 . 1 . . . . 31 TYR H . 6922 1 392 . 1 1 31 31 TYR HA H 1 4.908 0.01 . 1 . . . . 31 TYR HA . 6922 1 393 . 1 1 31 31 TYR HB2 H 1 2.674 0.01 . 1 . . . . 31 TYR HB2 . 6922 1 394 . 1 1 31 31 TYR HB3 H 1 3.384 0.01 . 1 . . . . 31 TYR HB3 . 6922 1 395 . 1 1 31 31 TYR HD1 H 1 7.067 0.01 . 1 . . . . 31 TYR HD1 . 6922 1 396 . 1 1 31 31 TYR HE1 H 1 6.811 0.01 . 1 . . . . 31 TYR HE1 . 6922 1 397 . 1 1 31 31 TYR C C 13 175.067 0.1 . 1 . . . . 31 TYR C . 6922 1 398 . 1 1 31 31 TYR CA C 13 58.245 0.1 . 1 . . . . 31 TYR CA . 6922 1 399 . 1 1 31 31 TYR CB C 13 37.439 0.1 . 1 . . . . 31 TYR CB . 6922 1 400 . 1 1 31 31 TYR CD1 C 13 133.967 0.1 . 1 . . . . 31 TYR CD1 . 6922 1 401 . 1 1 31 31 TYR N N 15 117.083 0.1 . 1 . . . . 31 TYR N . 6922 1 402 . 1 1 32 32 SER H H 1 7.804 0.01 . 1 . . . . 32 SER H . 6922 1 403 . 1 1 32 32 SER HA H 1 3.959 0.01 . 1 . . . . 32 SER HA . 6922 1 404 . 1 1 32 32 SER HB2 H 1 4.064 0.01 . 1 . . . . 32 SER HB2 . 6922 1 405 . 1 1 32 32 SER C C 13 176.920 0.1 . 1 . . . . 32 SER C . 6922 1 406 . 1 1 32 32 SER CA C 13 63.214 0.1 . 1 . . . . 32 SER CA . 6922 1 407 . 1 1 32 32 SER CB C 13 63.611 0.1 . 1 . . . . 32 SER CB . 6922 1 408 . 1 1 32 32 SER N N 15 116.497 0.1 . 1 . . . . 32 SER N . 6922 1 409 . 1 1 33 33 ASP H H 1 8.825 0.01 . 1 . . . . 33 ASP H . 6922 1 410 . 1 1 33 33 ASP HA H 1 4.427 0.01 . 1 . . . . 33 ASP HA . 6922 1 411 . 1 1 33 33 ASP HB2 H 1 2.702 0.01 . 1 . . . . 33 ASP HB2 . 6922 1 412 . 1 1 33 33 ASP HB3 H 1 2.773 0.01 . 1 . . . . 33 ASP HB3 . 6922 1 413 . 1 1 33 33 ASP C C 13 178.825 0.1 . 1 . . . . 33 ASP C . 6922 1 414 . 1 1 33 33 ASP CA C 13 57.876 0.1 . 1 . . . . 33 ASP CA . 6922 1 415 . 1 1 33 33 ASP CB C 13 39.970 0.1 . 1 . . . . 33 ASP CB . 6922 1 416 . 1 1 33 33 ASP N N 15 121.407 0.1 . 1 . . . . 33 ASP N . 6922 1 417 . 1 1 34 34 ALA H H 1 8.036 0.01 . 1 . . . . 34 ALA H . 6922 1 418 . 1 1 34 34 ALA HA H 1 4.282 0.01 . 1 . . . . 34 ALA HA . 6922 1 419 . 1 1 34 34 ALA HB1 H 1 1.555 0.01 . 1 . . . . 34 ALA HB . 6922 1 420 . 1 1 34 34 ALA HB2 H 1 1.555 0.01 . 1 . . . . 34 ALA HB . 6922 1 421 . 1 1 34 34 ALA HB3 H 1 1.555 0.01 . 1 . . . . 34 ALA HB . 6922 1 422 . 1 1 34 34 ALA C C 13 179.374 0.1 . 1 . . . . 34 ALA C . 6922 1 423 . 1 1 34 34 ALA CA C 13 54.848 0.1 . 1 . . . . 34 ALA CA . 6922 1 424 . 1 1 34 34 ALA CB C 13 18.502 0.1 . 1 . . . . 34 ALA CB . 6922 1 425 . 1 1 34 34 ALA N N 15 122.156 0.1 . 1 . . . . 34 ALA N . 6922 1 426 . 1 1 35 35 LEU H H 1 7.470 0.01 . 1 . . . . 35 LEU H . 6922 1 427 . 1 1 35 35 LEU HA H 1 4.546 0.01 . 1 . . . . 35 LEU HA . 6922 1 428 . 1 1 35 35 LEU HB2 H 1 1.664 0.01 . 1 . . . . 35 LEU HB2 . 6922 1 429 . 1 1 35 35 LEU HB3 H 1 1.715 0.01 . 1 . . . . 35 LEU HB3 . 6922 1 430 . 1 1 35 35 LEU HG H 1 1.831 0.01 . 1 . . . . 35 LEU HG . 6922 1 431 . 1 1 35 35 LEU HD11 H 1 0.704 0.01 . 1 . . . . 35 LEU HD1 . 6922 1 432 . 1 1 35 35 LEU HD12 H 1 0.704 0.01 . 1 . . . . 35 LEU HD1 . 6922 1 433 . 1 1 35 35 LEU HD13 H 1 0.704 0.01 . 1 . . . . 35 LEU HD1 . 6922 1 434 . 1 1 35 35 LEU HD21 H 1 0.932 0.01 . 1 . . . . 35 LEU HD2 . 6922 1 435 . 1 1 35 35 LEU HD22 H 1 0.932 0.01 . 1 . . . . 35 LEU HD2 . 6922 1 436 . 1 1 35 35 LEU HD23 H 1 0.932 0.01 . 1 . . . . 35 LEU HD2 . 6922 1 437 . 1 1 35 35 LEU C C 13 177.290 0.1 . 1 . . . . 35 LEU C . 6922 1 438 . 1 1 35 35 LEU CA C 13 54.734 0.1 . 1 . . . . 35 LEU CA . 6922 1 439 . 1 1 35 35 LEU CB C 13 42.756 0.1 . 1 . . . . 35 LEU CB . 6922 1 440 . 1 1 35 35 LEU CG C 13 26.969 0.1 . 1 . . . . 35 LEU CG . 6922 1 441 . 1 1 35 35 LEU CD1 C 13 21.814 0.1 . 1 . . . . 35 LEU CD1 . 6922 1 442 . 1 1 35 35 LEU CD2 C 13 26.290 0.1 . 1 . . . . 35 LEU CD2 . 6922 1 443 . 1 1 35 35 LEU N N 15 113.003 0.1 . 1 . . . . 35 LEU N . 6922 1 444 . 1 1 36 36 SER H H 1 8.069 0.01 . 1 . . . . 36 SER H . 6922 1 445 . 1 1 36 36 SER HA H 1 4.179 0.01 . 1 . . . . 36 SER HA . 6922 1 446 . 1 1 36 36 SER HB2 H 1 4.114 0.01 . 1 . . . . 36 SER HB2 . 6922 1 447 . 1 1 36 36 SER C C 13 175.604 0.1 . 1 . . . . 36 SER C . 6922 1 448 . 1 1 36 36 SER CA C 13 61.130 0.1 . 1 . . . . 36 SER CA . 6922 1 449 . 1 1 36 36 SER CB C 13 63.660 0.1 . 1 . . . . 36 SER CB . 6922 1 450 . 1 1 36 36 SER N N 15 114.102 0.1 . 1 . . . . 36 SER N . 6922 1 451 . 1 1 37 37 GLY H H 1 8.686 0.01 . 1 . . . . 37 GLY H . 6922 1 452 . 1 1 37 37 GLY HA2 H 1 3.994 0.01 . 1 . . . . 37 GLY HA2 . 6922 1 453 . 1 1 37 37 GLY C C 13 174.198 0.1 . 1 . . . . 37 GLY C . 6922 1 454 . 1 1 37 37 GLY CA C 13 45.805 0.1 . 1 . . . . 37 GLY CA . 6922 1 455 . 1 1 37 37 GLY N N 15 110.758 0.1 . 1 . . . . 37 GLY N . 6922 1 456 . 1 1 38 38 THR H H 1 7.817 0.01 . 1 . . . . 38 THR H . 6922 1 457 . 1 1 38 38 THR HA H 1 4.698 0.01 . 1 . . . . 38 THR HA . 6922 1 458 . 1 1 38 38 THR HB H 1 4.011 0.01 . 1 . . . . 38 THR HB . 6922 1 459 . 1 1 38 38 THR HG21 H 1 1.173 0.01 . 1 . . . . 38 THR HG2 . 6922 1 460 . 1 1 38 38 THR HG22 H 1 1.173 0.01 . 1 . . . . 38 THR HG2 . 6922 1 461 . 1 1 38 38 THR HG23 H 1 1.173 0.01 . 1 . . . . 38 THR HG2 . 6922 1 462 . 1 1 38 38 THR CA C 13 60.114 0.1 . 1 . . . . 38 THR CA . 6922 1 463 . 1 1 38 38 THR CB C 13 70.808 0.1 . 1 . . . . 38 THR CB . 6922 1 464 . 1 1 38 38 THR CG2 C 13 21.326 0.1 . 1 . . . . 38 THR CG2 . 6922 1 465 . 1 1 38 38 THR N N 15 118.730 0.1 . 1 . . . . 38 THR N . 6922 1 466 . 1 1 39 39 PRO HA H 1 4.488 0.01 . 1 . . . . 39 PRO HA . 6922 1 467 . 1 1 39 39 PRO HB2 H 1 1.817 0.01 . 1 . . . . 39 PRO HB2 . 6922 1 468 . 1 1 39 39 PRO HB3 H 1 2.386 0.01 . 1 . . . . 39 PRO HB3 . 6922 1 469 . 1 1 39 39 PRO HG2 H 1 1.863 0.01 . 1 . . . . 39 PRO HG2 . 6922 1 470 . 1 1 39 39 PRO HG3 H 1 2.020 0.01 . 1 . . . . 39 PRO HG3 . 6922 1 471 . 1 1 39 39 PRO HD2 H 1 3.756 0.01 . 1 . . . . 39 PRO HD2 . 6922 1 472 . 1 1 39 39 PRO HD3 H 1 3.903 0.01 . 1 . . . . 39 PRO HD3 . 6922 1 473 . 1 1 39 39 PRO C C 13 179.971 0.1 . 1 . . . . 39 PRO C . 6922 1 474 . 1 1 39 39 PRO CA C 13 62.636 0.1 . 1 . . . . 39 PRO CA . 6922 1 475 . 1 1 39 39 PRO CB C 13 33.014 0.1 . 1 . . . . 39 PRO CB . 6922 1 476 . 1 1 39 39 PRO CG C 13 27.848 0.1 . 1 . . . . 39 PRO CG . 6922 1 477 . 1 1 39 39 PRO CD C 13 51.159 0.1 . 1 . . . . 39 PRO CD . 6922 1 478 . 1 1 40 40 TRP H H 1 9.214 0.01 . 1 . . . . 40 TRP H . 6922 1 479 . 1 1 40 40 TRP HA H 1 3.895 0.01 . 1 . . . . 40 TRP HA . 6922 1 480 . 1 1 40 40 TRP HB2 H 1 2.774 0.01 . 1 . . . . 40 TRP HB2 . 6922 1 481 . 1 1 40 40 TRP HB3 H 1 3.381 0.01 . 1 . . . . 40 TRP HB3 . 6922 1 482 . 1 1 40 40 TRP HD1 H 1 7.022 0.01 . 1 . . . . 40 TRP HD1 . 6922 1 483 . 1 1 40 40 TRP HE1 H 1 10.202 0.01 . 1 . . . . 40 TRP HE1 . 6922 1 484 . 1 1 40 40 TRP HE3 H 1 6.928 0.01 . 1 . . . . 40 TRP HE3 . 6922 1 485 . 1 1 40 40 TRP HZ2 H 1 5.815 0.01 . 1 . . . . 40 TRP HZ2 . 6922 1 486 . 1 1 40 40 TRP HZ3 H 1 6.531 0.01 . 1 . . . . 40 TRP HZ3 . 6922 1 487 . 1 1 40 40 TRP HH2 H 1 6.700 0.01 . 1 . . . . 40 TRP HH2 . 6922 1 488 . 1 1 40 40 TRP C C 13 175.768 0.1 . 1 . . . . 40 TRP C . 6922 1 489 . 1 1 40 40 TRP CA C 13 60.819 0.1 . 1 . . . . 40 TRP CA . 6922 1 490 . 1 1 40 40 TRP CB C 13 27.224 0.1 . 1 . . . . 40 TRP CB . 6922 1 491 . 1 1 40 40 TRP CD1 C 13 127.971 0.1 . 1 . . . . 40 TRP CD1 . 6922 1 492 . 1 1 40 40 TRP CE3 C 13 120.056 0.1 . 1 . . . . 40 TRP CE3 . 6922 1 493 . 1 1 40 40 TRP CZ2 C 13 114.342 0.1 . 1 . . . . 40 TRP CZ2 . 6922 1 494 . 1 1 40 40 TRP CZ3 C 13 121.484 0.1 . 1 . . . . 40 TRP CZ3 . 6922 1 495 . 1 1 40 40 TRP CH2 C 13 124.844 0.1 . 1 . . . . 40 TRP CH2 . 6922 1 496 . 1 1 40 40 TRP N N 15 123.775 0.1 . 1 . . . . 40 TRP N . 6922 1 497 . 1 1 40 40 TRP NE1 N 15 129.434 0.1 . 1 . . . . 40 TRP NE1 . 6922 1 498 . 1 1 41 41 ILE H H 1 5.770 0.01 . 1 . . . . 41 ILE H . 6922 1 499 . 1 1 41 41 ILE HA H 1 3.022 0.01 . 1 . . . . 41 ILE HA . 6922 1 500 . 1 1 41 41 ILE HB H 1 0.492 0.01 . 1 . . . . 41 ILE HB . 6922 1 501 . 1 1 41 41 ILE HG12 H 1 0.713 0.01 . 1 . . . . 41 ILE HG12 . 6922 1 502 . 1 1 41 41 ILE HG21 H 1 0.137 0.01 . 1 . . . . 41 ILE HG2 . 6922 1 503 . 1 1 41 41 ILE HG22 H 1 0.137 0.01 . 1 . . . . 41 ILE HG2 . 6922 1 504 . 1 1 41 41 ILE HG23 H 1 0.137 0.01 . 1 . . . . 41 ILE HG2 . 6922 1 505 . 1 1 41 41 ILE HD11 H 1 0.612 0.01 . 1 . . . . 41 ILE HD1 . 6922 1 506 . 1 1 41 41 ILE HD12 H 1 0.612 0.01 . 1 . . . . 41 ILE HD1 . 6922 1 507 . 1 1 41 41 ILE HD13 H 1 0.612 0.01 . 1 . . . . 41 ILE HD1 . 6922 1 508 . 1 1 41 41 ILE C C 13 175.110 0.1 . 1 . . . . 41 ILE C . 6922 1 509 . 1 1 41 41 ILE CA C 13 63.862 0.1 . 1 . . . . 41 ILE CA . 6922 1 510 . 1 1 41 41 ILE CB C 13 38.184 0.1 . 1 . . . . 41 ILE CB . 6922 1 511 . 1 1 41 41 ILE CG1 C 13 28.477 0.1 . 1 . . . . 41 ILE CG1 . 6922 1 512 . 1 1 41 41 ILE CG2 C 13 17.038 0.1 . 1 . . . . 41 ILE CG2 . 6922 1 513 . 1 1 41 41 ILE CD1 C 13 14.486 0.1 . 1 . . . . 41 ILE CD1 . 6922 1 514 . 1 1 41 41 ILE N N 15 115.614 0.1 . 1 . . . . 41 ILE N . 6922 1 515 . 1 1 42 42 GLU H H 1 6.991 0.01 . 1 . . . . 42 GLU H . 6922 1 516 . 1 1 42 42 GLU HA H 1 4.255 0.01 . 1 . . . . 42 GLU HA . 6922 1 517 . 1 1 42 42 GLU HB2 H 1 1.728 0.01 . 1 . . . . 42 GLU HB2 . 6922 1 518 . 1 1 42 42 GLU HB3 H 1 1.902 0.01 . 1 . . . . 42 GLU HB3 . 6922 1 519 . 1 1 42 42 GLU HG2 H 1 2.057 0.01 . 1 . . . . 42 GLU HG2 . 6922 1 520 . 1 1 42 42 GLU C C 13 178.356 0.1 . 1 . . . . 42 GLU C . 6922 1 521 . 1 1 42 42 GLU CA C 13 57.326 0.1 . 1 . . . . 42 GLU CA . 6922 1 522 . 1 1 42 42 GLU CB C 13 31.809 0.1 . 1 . . . . 42 GLU CB . 6922 1 523 . 1 1 42 42 GLU CG C 13 36.784 0.1 . 1 . . . . 42 GLU CG . 6922 1 524 . 1 1 42 42 GLU N N 15 117.686 0.1 . 1 . . . . 42 GLU N . 6922 1 525 . 1 1 43 43 LEU H H 1 8.120 0.01 . 1 . . . . 43 LEU H . 6922 1 526 . 1 1 43 43 LEU HA H 1 3.486 0.01 . 1 . . . . 43 LEU HA . 6922 1 527 . 1 1 43 43 LEU HB2 H 1 1.204 0.01 . 1 . . . . 43 LEU HB2 . 6922 1 528 . 1 1 43 43 LEU HB3 H 1 1.469 0.01 . 1 . . . . 43 LEU HB3 . 6922 1 529 . 1 1 43 43 LEU HG H 1 1.267 0.01 . 1 . . . . 43 LEU HG . 6922 1 530 . 1 1 43 43 LEU HD11 H 1 0.634 0.01 . 1 . . . . 43 LEU HD1 . 6922 1 531 . 1 1 43 43 LEU HD12 H 1 0.634 0.01 . 1 . . . . 43 LEU HD1 . 6922 1 532 . 1 1 43 43 LEU HD13 H 1 0.634 0.01 . 1 . . . . 43 LEU HD1 . 6922 1 533 . 1 1 43 43 LEU HD21 H 1 0.923 0.01 . 1 . . . . 43 LEU HD2 . 6922 1 534 . 1 1 43 43 LEU HD22 H 1 0.923 0.01 . 1 . . . . 43 LEU HD2 . 6922 1 535 . 1 1 43 43 LEU HD23 H 1 0.923 0.01 . 1 . . . . 43 LEU HD2 . 6922 1 536 . 1 1 43 43 LEU C C 13 176.159 0.1 . 1 . . . . 43 LEU C . 6922 1 537 . 1 1 43 43 LEU CA C 13 57.880 0.1 . 1 . . . . 43 LEU CA . 6922 1 538 . 1 1 43 43 LEU CB C 13 43.579 0.1 . 1 . . . . 43 LEU CB . 6922 1 539 . 1 1 43 43 LEU CG C 13 25.999 0.1 . 1 . . . . 43 LEU CG . 6922 1 540 . 1 1 43 43 LEU CD1 C 13 26.320 0.1 . 1 . . . . 43 LEU CD1 . 6922 1 541 . 1 1 43 43 LEU CD2 C 13 24.420 0.1 . 1 . . . . 43 LEU CD2 . 6922 1 542 . 1 1 43 43 LEU N N 15 122.677 0.1 . 1 . . . . 43 LEU N . 6922 1 543 . 1 1 44 44 ILE H H 1 6.876 0.01 . 1 . . . . 44 ILE H . 6922 1 544 . 1 1 44 44 ILE HA H 1 2.290 0.01 . 1 . . . . 44 ILE HA . 6922 1 545 . 1 1 44 44 ILE HB H 1 1.711 0.01 . 1 . . . . 44 ILE HB . 6922 1 546 . 1 1 44 44 ILE HG12 H 1 0.180 0.01 . 1 . . . . 44 ILE HG12 . 6922 1 547 . 1 1 44 44 ILE HG13 H 1 0.981 0.01 . 1 . . . . 44 ILE HG13 . 6922 1 548 . 1 1 44 44 ILE HG21 H 1 0.799 0.01 . 1 . . . . 44 ILE HG2 . 6922 1 549 . 1 1 44 44 ILE HG22 H 1 0.799 0.01 . 1 . . . . 44 ILE HG2 . 6922 1 550 . 1 1 44 44 ILE HG23 H 1 0.799 0.01 . 1 . . . . 44 ILE HG2 . 6922 1 551 . 1 1 44 44 ILE HD11 H 1 0.656 0.01 . 1 . . . . 44 ILE HD1 . 6922 1 552 . 1 1 44 44 ILE HD12 H 1 0.656 0.01 . 1 . . . . 44 ILE HD1 . 6922 1 553 . 1 1 44 44 ILE HD13 H 1 0.656 0.01 . 1 . . . . 44 ILE HD1 . 6922 1 554 . 1 1 44 44 ILE C C 13 174.368 0.1 . 1 . . . . 44 ILE C . 6922 1 555 . 1 1 44 44 ILE CA C 13 62.720 0.1 . 1 . . . . 44 ILE CA . 6922 1 556 . 1 1 44 44 ILE CB C 13 37.142 0.1 . 1 . . . . 44 ILE CB . 6922 1 557 . 1 1 44 44 ILE CG1 C 13 23.710 0.1 . 1 . . . . 44 ILE CG1 . 6922 1 558 . 1 1 44 44 ILE CG2 C 13 15.522 0.1 . 1 . . . . 44 ILE CG2 . 6922 1 559 . 1 1 44 44 ILE CD1 C 13 14.112 0.1 . 1 . . . . 44 ILE CD1 . 6922 1 560 . 1 1 44 44 ILE N N 15 102.509 0.1 . 1 . . . . 44 ILE N . 6922 1 561 . 1 1 45 45 TYR H H 1 6.606 0.01 . 1 . . . . 45 TYR H . 6922 1 562 . 1 1 45 45 TYR HA H 1 4.400 0.01 . 1 . . . . 45 TYR HA . 6922 1 563 . 1 1 45 45 TYR HB2 H 1 2.370 0.01 . 1 . . . . 45 TYR HB2 . 6922 1 564 . 1 1 45 45 TYR HB3 H 1 3.393 0.01 . 1 . . . . 45 TYR HB3 . 6922 1 565 . 1 1 45 45 TYR HD1 H 1 7.183 0.01 . 1 . . . . 45 TYR HD1 . 6922 1 566 . 1 1 45 45 TYR HE1 H 1 6.718 0.01 . 1 . . . . 45 TYR HE1 . 6922 1 567 . 1 1 45 45 TYR C C 13 176.283 0.1 . 1 . . . . 45 TYR C . 6922 1 568 . 1 1 45 45 TYR CA C 13 58.875 0.1 . 1 . . . . 45 TYR CA . 6922 1 569 . 1 1 45 45 TYR CB C 13 38.919 0.1 . 1 . . . . 45 TYR CB . 6922 1 570 . 1 1 45 45 TYR CD1 C 13 134.194 0.1 . 1 . . . . 45 TYR CD1 . 6922 1 571 . 1 1 45 45 TYR CE1 C 13 118.423 0.1 . 1 . . . . 45 TYR CE1 . 6922 1 572 . 1 1 45 45 TYR N N 15 114.607 0.1 . 1 . . . . 45 TYR N . 6922 1 573 . 1 1 46 46 LEU H H 1 7.478 0.01 . 1 . . . . 46 LEU H . 6922 1 574 . 1 1 46 46 LEU HA H 1 4.287 0.01 . 1 . . . . 46 LEU HA . 6922 1 575 . 1 1 46 46 LEU HB2 H 1 1.278 0.01 . 1 . . . . 46 LEU HB2 . 6922 1 576 . 1 1 46 46 LEU HB3 H 1 2.064 0.01 . 1 . . . . 46 LEU HB3 . 6922 1 577 . 1 1 46 46 LEU HG H 1 2.161 0.01 . 1 . . . . 46 LEU HG . 6922 1 578 . 1 1 46 46 LEU HD11 H 1 0.839 0.01 . 1 . . . . 46 LEU HD1 . 6922 1 579 . 1 1 46 46 LEU HD12 H 1 0.839 0.01 . 1 . . . . 46 LEU HD1 . 6922 1 580 . 1 1 46 46 LEU HD13 H 1 0.839 0.01 . 1 . . . . 46 LEU HD1 . 6922 1 581 . 1 1 46 46 LEU HD21 H 1 0.882 0.01 . 1 . . . . 46 LEU HD2 . 6922 1 582 . 1 1 46 46 LEU HD22 H 1 0.882 0.01 . 1 . . . . 46 LEU HD2 . 6922 1 583 . 1 1 46 46 LEU HD23 H 1 0.882 0.01 . 1 . . . . 46 LEU HD2 . 6922 1 584 . 1 1 46 46 LEU C C 13 175.356 0.1 . 1 . . . . 46 LEU C . 6922 1 585 . 1 1 46 46 LEU CA C 13 56.506 0.1 . 1 . . . . 46 LEU CA . 6922 1 586 . 1 1 46 46 LEU CB C 13 42.594 0.1 . 1 . . . . 46 LEU CB . 6922 1 587 . 1 1 46 46 LEU CG C 13 26.962 0.1 . 1 . . . . 46 LEU CG . 6922 1 588 . 1 1 46 46 LEU CD1 C 13 22.883 0.1 . 1 . . . . 46 LEU CD1 . 6922 1 589 . 1 1 46 46 LEU CD2 C 13 26.676 0.1 . 1 . . . . 46 LEU CD2 . 6922 1 590 . 1 1 46 46 LEU N N 15 122.118 0.1 . 1 . . . . 46 LEU N . 6922 1 591 . 1 1 47 47 ASP H H 1 7.457 0.01 . 1 . . . . 47 ASP H . 6922 1 592 . 1 1 47 47 ASP HA H 1 4.812 0.01 . 1 . . . . 47 ASP HA . 6922 1 593 . 1 1 47 47 ASP HB2 H 1 2.823 0.01 . 1 . . . . 47 ASP HB2 . 6922 1 594 . 1 1 47 47 ASP HB3 H 1 3.219 0.01 . 1 . . . . 47 ASP HB3 . 6922 1 595 . 1 1 47 47 ASP C C 13 175.817 0.1 . 1 . . . . 47 ASP C . 6922 1 596 . 1 1 47 47 ASP CA C 13 51.315 0.1 . 1 . . . . 47 ASP CA . 6922 1 597 . 1 1 47 47 ASP CB C 13 42.973 0.1 . 1 . . . . 47 ASP CB . 6922 1 598 . 1 1 47 47 ASP N N 15 117.417 0.1 . 1 . . . . 47 ASP N . 6922 1 599 . 1 1 48 48 ASP H H 1 8.522 0.01 . 1 . . . . 48 ASP H . 6922 1 600 . 1 1 48 48 ASP HA H 1 4.092 0.01 . 1 . . . . 48 ASP HA . 6922 1 601 . 1 1 48 48 ASP HB2 H 1 2.604 0.01 . 1 . . . . 48 ASP HB2 . 6922 1 602 . 1 1 48 48 ASP HB3 H 1 2.687 0.01 . 1 . . . . 48 ASP HB3 . 6922 1 603 . 1 1 48 48 ASP CA C 13 59.527 0.1 . 1 . . . . 48 ASP CA . 6922 1 604 . 1 1 48 48 ASP CB C 13 43.521 0.1 . 1 . . . . 48 ASP CB . 6922 1 605 . 1 1 48 48 ASP N N 15 118.813 0.1 . 1 . . . . 48 ASP N . 6922 1 606 . 1 1 49 49 GLU H H 1 8.467 0.01 . 1 . . . . 49 GLU H . 6922 1 607 . 1 1 49 49 GLU HA H 1 4.122 0.01 . 1 . . . . 49 GLU HA . 6922 1 608 . 1 1 49 49 GLU HB2 H 1 1.971 0.01 . 1 . . . . 49 GLU HB2 . 6922 1 609 . 1 1 49 49 GLU HB3 H 1 2.121 0.01 . 1 . . . . 49 GLU HB3 . 6922 1 610 . 1 1 49 49 GLU HG2 H 1 2.255 0.01 . 1 . . . . 49 GLU HG2 . 6922 1 611 . 1 1 49 49 GLU HG3 H 1 2.356 0.01 . 1 . . . . 49 GLU HG3 . 6922 1 612 . 1 1 49 49 GLU C C 13 179.676 0.1 . 1 . . . . 49 GLU C . 6922 1 613 . 1 1 49 49 GLU CA C 13 59.675 0.1 . 1 . . . . 49 GLU CA . 6922 1 614 . 1 1 49 49 GLU CB C 13 29.832 0.1 . 1 . . . . 49 GLU CB . 6922 1 615 . 1 1 49 49 GLU CG C 13 36.960 0.1 . 1 . . . . 49 GLU CG . 6922 1 616 . 1 1 49 49 GLU N N 15 116.666 0.1 . 1 . . . . 49 GLU N . 6922 1 617 . 1 1 50 50 THR H H 1 8.450 0.01 . 1 . . . . 50 THR H . 6922 1 618 . 1 1 50 50 THR HA H 1 4.188 0.01 . 1 . . . . 50 THR HA . 6922 1 619 . 1 1 50 50 THR HB H 1 3.887 0.01 . 1 . . . . 50 THR HB . 6922 1 620 . 1 1 50 50 THR HG21 H 1 1.286 0.01 . 1 . . . . 50 THR HG2 . 6922 1 621 . 1 1 50 50 THR HG22 H 1 1.286 0.01 . 1 . . . . 50 THR HG2 . 6922 1 622 . 1 1 50 50 THR HG23 H 1 1.286 0.01 . 1 . . . . 50 THR HG2 . 6922 1 623 . 1 1 50 50 THR C C 13 176.804 0.1 . 1 . . . . 50 THR C . 6922 1 624 . 1 1 50 50 THR CA C 13 67.648 0.1 . 1 . . . . 50 THR CA . 6922 1 625 . 1 1 50 50 THR CB C 13 67.545 0.1 . 1 . . . . 50 THR CB . 6922 1 626 . 1 1 50 50 THR CG2 C 13 22.921 0.1 . 1 . . . . 50 THR CG2 . 6922 1 627 . 1 1 50 50 THR N N 15 117.649 0.1 . 1 . . . . 50 THR N . 6922 1 628 . 1 1 51 51 LEU H H 1 8.649 0.01 . 1 . . . . 51 LEU H . 6922 1 629 . 1 1 51 51 LEU HA H 1 3.798 0.01 . 1 . . . . 51 LEU HA . 6922 1 630 . 1 1 51 51 LEU HB2 H 1 0.924 0.01 . 1 . . . . 51 LEU HB2 . 6922 1 631 . 1 1 51 51 LEU HB3 H 1 2.169 0.01 . 1 . . . . 51 LEU HB3 . 6922 1 632 . 1 1 51 51 LEU HG H 1 1.979 0.01 . 1 . . . . 51 LEU HG . 6922 1 633 . 1 1 51 51 LEU HD11 H 1 0.794 0.01 . 1 . . . . 51 LEU HD1 . 6922 1 634 . 1 1 51 51 LEU HD12 H 1 0.794 0.01 . 1 . . . . 51 LEU HD1 . 6922 1 635 . 1 1 51 51 LEU HD13 H 1 0.794 0.01 . 1 . . . . 51 LEU HD1 . 6922 1 636 . 1 1 51 51 LEU HD21 H 1 0.916 0.01 . 1 . . . . 51 LEU HD2 . 6922 1 637 . 1 1 51 51 LEU HD22 H 1 0.916 0.01 . 1 . . . . 51 LEU HD2 . 6922 1 638 . 1 1 51 51 LEU HD23 H 1 0.916 0.01 . 1 . . . . 51 LEU HD2 . 6922 1 639 . 1 1 51 51 LEU C C 13 178.807 0.1 . 1 . . . . 51 LEU C . 6922 1 640 . 1 1 51 51 LEU CA C 13 58.668 0.1 . 1 . . . . 51 LEU CA . 6922 1 641 . 1 1 51 51 LEU CB C 13 42.427 0.1 . 1 . . . . 51 LEU CB . 6922 1 642 . 1 1 51 51 LEU CG C 13 26.632 0.1 . 1 . . . . 51 LEU CG . 6922 1 643 . 1 1 51 51 LEU CD1 C 13 26.855 0.1 . 1 . . . . 51 LEU CD1 . 6922 1 644 . 1 1 51 51 LEU CD2 C 13 23.962 0.1 . 1 . . . . 51 LEU CD2 . 6922 1 645 . 1 1 51 51 LEU N N 15 121.373 0.1 . 1 . . . . 51 LEU N . 6922 1 646 . 1 1 52 52 GLU H H 1 8.123 0.01 . 1 . . . . 52 GLU H . 6922 1 647 . 1 1 52 52 GLU HA H 1 3.817 0.01 . 1 . . . . 52 GLU HA . 6922 1 648 . 1 1 52 52 GLU HB2 H 1 1.690 0.01 . 1 . . . . 52 GLU HB2 . 6922 1 649 . 1 1 52 52 GLU HB3 H 1 2.189 0.01 . 1 . . . . 52 GLU HB3 . 6922 1 650 . 1 1 52 52 GLU HG2 H 1 2.058 0.01 . 1 . . . . 52 GLU HG2 . 6922 1 651 . 1 1 52 52 GLU HG3 H 1 2.133 0.01 . 1 . . . . 52 GLU HG3 . 6922 1 652 . 1 1 52 52 GLU C C 13 180.546 0.1 . 1 . . . . 52 GLU C . 6922 1 653 . 1 1 52 52 GLU CA C 13 60.327 0.1 . 1 . . . . 52 GLU CA . 6922 1 654 . 1 1 52 52 GLU CB C 13 29.379 0.1 . 1 . . . . 52 GLU CB . 6922 1 655 . 1 1 52 52 GLU CG C 13 36.399 0.1 . 1 . . . . 52 GLU CG . 6922 1 656 . 1 1 52 52 GLU N N 15 120.349 0.1 . 1 . . . . 52 GLU N . 6922 1 657 . 1 1 53 53 LYS H H 1 8.124 0.01 . 1 . . . . 53 LYS H . 6922 1 658 . 1 1 53 53 LYS HA H 1 3.995 0.01 . 1 . . . . 53 LYS HA . 6922 1 659 . 1 1 53 53 LYS HB2 H 1 1.972 0.01 . 1 . . . . 53 LYS HB2 . 6922 1 660 . 1 1 53 53 LYS HB3 H 1 2.031 0.01 . 1 . . . . 53 LYS HB3 . 6922 1 661 . 1 1 53 53 LYS HG2 H 1 1.524 0.01 . 1 . . . . 53 LYS HG2 . 6922 1 662 . 1 1 53 53 LYS HG3 H 1 1.683 0.01 . 1 . . . . 53 LYS HG3 . 6922 1 663 . 1 1 53 53 LYS HD2 H 1 1.690 0.01 . 1 . . . . 53 LYS HD2 . 6922 1 664 . 1 1 53 53 LYS HE2 H 1 2.963 0.01 . 1 . . . . 53 LYS HE2 . 6922 1 665 . 1 1 53 53 LYS C C 13 179.089 0.1 . 1 . . . . 53 LYS C . 6922 1 666 . 1 1 53 53 LYS CA C 13 59.581 0.1 . 1 . . . . 53 LYS CA . 6922 1 667 . 1 1 53 53 LYS CB C 13 32.666 0.1 . 1 . . . . 53 LYS CB . 6922 1 668 . 1 1 53 53 LYS CG C 13 25.855 0.1 . 1 . . . . 53 LYS CG . 6922 1 669 . 1 1 53 53 LYS CD C 13 29.525 0.1 . 1 . . . . 53 LYS CD . 6922 1 670 . 1 1 53 53 LYS CE C 13 42.424 0.1 . 1 . . . . 53 LYS CE . 6922 1 671 . 1 1 53 53 LYS N N 15 121.386 0.1 . 1 . . . . 53 LYS N . 6922 1 672 . 1 1 54 54 LYS H H 1 8.050 0.01 . 1 . . . . 54 LYS H . 6922 1 673 . 1 1 54 54 LYS HA H 1 4.201 0.01 . 1 . . . . 54 LYS HA . 6922 1 674 . 1 1 54 54 LYS HB2 H 1 1.849 0.01 . 1 . . . . 54 LYS HB2 . 6922 1 675 . 1 1 54 54 LYS HB3 H 1 2.024 0.01 . 1 . . . . 54 LYS HB3 . 6922 1 676 . 1 1 54 54 LYS HG2 H 1 1.611 0.01 . 1 . . . . 54 LYS HG2 . 6922 1 677 . 1 1 54 54 LYS HD2 H 1 1.596 0.01 . 1 . . . . 54 LYS HD2 . 6922 1 678 . 1 1 54 54 LYS HE2 H 1 2.823 0.01 . 1 . . . . 54 LYS HE2 . 6922 1 679 . 1 1 54 54 LYS HE3 H 1 3.032 0.01 . 1 . . . . 54 LYS HE3 . 6922 1 680 . 1 1 54 54 LYS C C 13 176.390 0.1 . 1 . . . . 54 LYS C . 6922 1 681 . 1 1 54 54 LYS CA C 13 57.578 0.1 . 1 . . . . 54 LYS CA . 6922 1 682 . 1 1 54 54 LYS CB C 13 32.978 0.1 . 1 . . . . 54 LYS CB . 6922 1 683 . 1 1 54 54 LYS CG C 13 25.778 0.1 . 1 . . . . 54 LYS CG . 6922 1 684 . 1 1 54 54 LYS CD C 13 29.379 0.1 . 1 . . . . 54 LYS CD . 6922 1 685 . 1 1 54 54 LYS CE C 13 41.982 0.1 . 1 . . . . 54 LYS CE . 6922 1 686 . 1 1 54 54 LYS N N 15 117.077 0.1 . 1 . . . . 54 LYS N . 6922 1 687 . 1 1 55 55 GLY H H 1 7.637 0.01 . 1 . . . . 55 GLY H . 6922 1 688 . 1 1 55 55 GLY HA2 H 1 3.621 0.01 . 1 . . . . 55 GLY HA2 . 6922 1 689 . 1 1 55 55 GLY HA3 H 1 4.639 0.01 . 1 . . . . 55 GLY HA3 . 6922 1 690 . 1 1 55 55 GLY C C 13 174.951 0.1 . 1 . . . . 55 GLY C . 6922 1 691 . 1 1 55 55 GLY CA C 13 44.683 0.1 . 1 . . . . 55 GLY CA . 6922 1 692 . 1 1 55 55 GLY N N 15 102.764 0.1 . 1 . . . . 55 GLY N . 6922 1 693 . 1 1 56 56 VAL H H 1 8.346 0.01 . 1 . . . . 56 VAL H . 6922 1 694 . 1 1 56 56 VAL HA H 1 4.018 0.01 . 1 . . . . 56 VAL HA . 6922 1 695 . 1 1 56 56 VAL HB H 1 1.659 0.01 . 1 . . . . 56 VAL HB . 6922 1 696 . 1 1 56 56 VAL HG11 H 1 -0.122 0.01 . 1 . . . . 56 VAL HG1 . 6922 1 697 . 1 1 56 56 VAL HG12 H 1 -0.122 0.01 . 1 . . . . 56 VAL HG1 . 6922 1 698 . 1 1 56 56 VAL HG13 H 1 -0.122 0.01 . 1 . . . . 56 VAL HG1 . 6922 1 699 . 1 1 56 56 VAL HG21 H 1 0.472 0.01 . 1 . . . . 56 VAL HG2 . 6922 1 700 . 1 1 56 56 VAL HG22 H 1 0.472 0.01 . 1 . . . . 56 VAL HG2 . 6922 1 701 . 1 1 56 56 VAL HG23 H 1 0.472 0.01 . 1 . . . . 56 VAL HG2 . 6922 1 702 . 1 1 56 56 VAL C C 13 175.569 0.1 . 1 . . . . 56 VAL C . 6922 1 703 . 1 1 56 56 VAL CA C 13 60.447 0.1 . 1 . . . . 56 VAL CA . 6922 1 704 . 1 1 56 56 VAL CB C 13 27.565 0.1 . 1 . . . . 56 VAL CB . 6922 1 705 . 1 1 56 56 VAL CG1 C 13 22.060 0.1 . 1 . . . . 56 VAL CG1 . 6922 1 706 . 1 1 56 56 VAL CG2 C 13 19.335 0.1 . 1 . . . . 56 VAL CG2 . 6922 1 707 . 1 1 56 56 VAL N N 15 122.542 0.1 . 1 . . . . 56 VAL N . 6922 1 708 . 1 1 57 57 LEU H H 1 7.191 0.01 . 1 . . . . 57 LEU H . 6922 1 709 . 1 1 57 57 LEU HA H 1 3.946 0.01 . 1 . . . . 57 LEU HA . 6922 1 710 . 1 1 57 57 LEU HB2 H 1 1.654 0.01 . 1 . . . . 57 LEU HB2 . 6922 1 711 . 1 1 57 57 LEU HB3 H 1 1.908 0.01 . 1 . . . . 57 LEU HB3 . 6922 1 712 . 1 1 57 57 LEU HG H 1 1.719 0.01 . 1 . . . . 57 LEU HG . 6922 1 713 . 1 1 57 57 LEU HD11 H 1 0.900 0.01 . 1 . . . . 57 LEU HD1 . 6922 1 714 . 1 1 57 57 LEU HD12 H 1 0.900 0.01 . 1 . . . . 57 LEU HD1 . 6922 1 715 . 1 1 57 57 LEU HD13 H 1 0.900 0.01 . 1 . . . . 57 LEU HD1 . 6922 1 716 . 1 1 57 57 LEU HD21 H 1 1.018 0.01 . 1 . . . . 57 LEU HD2 . 6922 1 717 . 1 1 57 57 LEU HD22 H 1 1.018 0.01 . 1 . . . . 57 LEU HD2 . 6922 1 718 . 1 1 57 57 LEU HD23 H 1 1.018 0.01 . 1 . . . . 57 LEU HD2 . 6922 1 719 . 1 1 57 57 LEU C C 13 177.623 0.1 . 1 . . . . 57 LEU C . 6922 1 720 . 1 1 57 57 LEU CA C 13 57.652 0.1 . 1 . . . . 57 LEU CA . 6922 1 721 . 1 1 57 57 LEU CB C 13 41.613 0.1 . 1 . . . . 57 LEU CB . 6922 1 722 . 1 1 57 57 LEU CG C 13 27.196 0.1 . 1 . . . . 57 LEU CG . 6922 1 723 . 1 1 57 57 LEU CD1 C 13 22.753 0.1 . 1 . . . . 57 LEU CD1 . 6922 1 724 . 1 1 57 57 LEU CD2 C 13 25.381 0.1 . 1 . . . . 57 LEU CD2 . 6922 1 725 . 1 1 57 57 LEU N N 15 124.442 0.1 . 1 . . . . 57 LEU N . 6922 1 726 . 1 1 58 58 ALA H H 1 6.925 0.01 . 1 . . . . 58 ALA H . 6922 1 727 . 1 1 58 58 ALA HA H 1 4.686 0.01 . 1 . . . . 58 ALA HA . 6922 1 728 . 1 1 58 58 ALA HB1 H 1 1.616 0.01 . 1 . . . . 58 ALA HB . 6922 1 729 . 1 1 58 58 ALA HB2 H 1 1.616 0.01 . 1 . . . . 58 ALA HB . 6922 1 730 . 1 1 58 58 ALA HB3 H 1 1.616 0.01 . 1 . . . . 58 ALA HB . 6922 1 731 . 1 1 58 58 ALA C C 13 176.774 0.1 . 1 . . . . 58 ALA C . 6922 1 732 . 1 1 58 58 ALA CA C 13 51.769 0.1 . 1 . . . . 58 ALA CA . 6922 1 733 . 1 1 58 58 ALA CB C 13 19.180 0.1 . 1 . . . . 58 ALA CB . 6922 1 734 . 1 1 58 58 ALA N N 15 120.433 0.1 . 1 . . . . 58 ALA N . 6922 1 735 . 1 1 59 59 LEU H H 1 8.583 0.01 . 1 . . . . 59 LEU H . 6922 1 736 . 1 1 59 59 LEU HA H 1 3.804 0.01 . 1 . . . . 59 LEU HA . 6922 1 737 . 1 1 59 59 LEU HB2 H 1 1.684 0.01 . 1 . . . . 59 LEU HB2 . 6922 1 738 . 1 1 59 59 LEU HB3 H 1 1.983 0.01 . 1 . . . . 59 LEU HB3 . 6922 1 739 . 1 1 59 59 LEU HG H 1 1.368 0.01 . 1 . . . . 59 LEU HG . 6922 1 740 . 1 1 59 59 LEU HD11 H 1 0.897 0.01 . 1 . . . . 59 LEU HD1 . 6922 1 741 . 1 1 59 59 LEU HD12 H 1 0.897 0.01 . 1 . . . . 59 LEU HD1 . 6922 1 742 . 1 1 59 59 LEU HD13 H 1 0.897 0.01 . 1 . . . . 59 LEU HD1 . 6922 1 743 . 1 1 59 59 LEU HD21 H 1 0.928 0.01 . 1 . . . . 59 LEU HD2 . 6922 1 744 . 1 1 59 59 LEU HD22 H 1 0.928 0.01 . 1 . . . . 59 LEU HD2 . 6922 1 745 . 1 1 59 59 LEU HD23 H 1 0.928 0.01 . 1 . . . . 59 LEU HD2 . 6922 1 746 . 1 1 59 59 LEU C C 13 179.536 0.1 . 1 . . . . 59 LEU C . 6922 1 747 . 1 1 59 59 LEU CA C 13 58.862 0.1 . 1 . . . . 59 LEU CA . 6922 1 748 . 1 1 59 59 LEU CB C 13 41.939 0.1 . 1 . . . . 59 LEU CB . 6922 1 749 . 1 1 59 59 LEU CG C 13 27.676 0.1 . 1 . . . . 59 LEU CG . 6922 1 750 . 1 1 59 59 LEU CD1 C 13 26.023 0.1 . 1 . . . . 59 LEU CD1 . 6922 1 751 . 1 1 59 59 LEU CD2 C 13 24.095 0.1 . 1 . . . . 59 LEU CD2 . 6922 1 752 . 1 1 59 59 LEU N N 15 131.298 0.1 . 1 . . . . 59 LEU N . 6922 1 753 . 1 1 60 60 GLY H H 1 9.734 0.01 . 1 . . . . 60 GLY H . 6922 1 754 . 1 1 60 60 GLY HA2 H 1 3.474 0.01 . 1 . . . . 60 GLY HA2 . 6922 1 755 . 1 1 60 60 GLY HA3 H 1 4.254 0.01 . 1 . . . . 60 GLY HA3 . 6922 1 756 . 1 1 60 60 GLY C C 13 176.566 0.1 . 1 . . . . 60 GLY C . 6922 1 757 . 1 1 60 60 GLY CA C 13 47.476 0.1 . 1 . . . . 60 GLY CA . 6922 1 758 . 1 1 60 60 GLY N N 15 106.636 0.1 . 1 . . . . 60 GLY N . 6922 1 759 . 1 1 61 61 ALA H H 1 6.321 0.01 . 1 . . . . 61 ALA H . 6922 1 760 . 1 1 61 61 ALA HA H 1 3.344 0.01 . 1 . . . . 61 ALA HA . 6922 1 761 . 1 1 61 61 ALA HB1 H 1 1.253 0.01 . 1 . . . . 61 ALA HB . 6922 1 762 . 1 1 61 61 ALA HB2 H 1 1.253 0.01 . 1 . . . . 61 ALA HB . 6922 1 763 . 1 1 61 61 ALA HB3 H 1 1.253 0.01 . 1 . . . . 61 ALA HB . 6922 1 764 . 1 1 61 61 ALA C C 13 178.810 0.1 . 1 . . . . 61 ALA C . 6922 1 765 . 1 1 61 61 ALA CA C 13 54.985 0.1 . 1 . . . . 61 ALA CA . 6922 1 766 . 1 1 61 61 ALA CB C 13 19.826 0.1 . 1 . . . . 61 ALA CB . 6922 1 767 . 1 1 61 61 ALA N N 15 121.439 0.1 . 1 . . . . 61 ALA N . 6922 1 768 . 1 1 62 62 ARG H H 1 7.690 0.01 . 1 . . . . 62 ARG H . 6922 1 769 . 1 1 62 62 ARG HA H 1 3.534 0.01 . 1 . . . . 62 ARG HA . 6922 1 770 . 1 1 62 62 ARG HB2 H 1 1.651 0.01 . 1 . . . . 62 ARG HB2 . 6922 1 771 . 1 1 62 62 ARG HB3 H 1 1.970 0.01 . 1 . . . . 62 ARG HB3 . 6922 1 772 . 1 1 62 62 ARG HD2 H 1 3.261 0.01 . 1 . . . . 62 ARG HD2 . 6922 1 773 . 1 1 62 62 ARG HD3 H 1 3.480 0.01 . 1 . . . . 62 ARG HD3 . 6922 1 774 . 1 1 62 62 ARG HE H 1 8.190 0.01 . 1 . . . . 62 ARG HE . 6922 1 775 . 1 1 62 62 ARG C C 13 177.968 0.1 . 1 . . . . 62 ARG C . 6922 1 776 . 1 1 62 62 ARG CA C 13 61.905 0.1 . 1 . . . . 62 ARG CA . 6922 1 777 . 1 1 62 62 ARG CB C 13 30.427 0.1 . 1 . . . . 62 ARG CB . 6922 1 778 . 1 1 62 62 ARG CG C 13 30.248 0.1 . 1 . . . . 62 ARG CG . 6922 1 779 . 1 1 62 62 ARG CD C 13 44.087 0.1 . 1 . . . . 62 ARG CD . 6922 1 780 . 1 1 62 62 ARG CZ C 13 158.847 0.1 . 1 . . . . 62 ARG CZ . 6922 1 781 . 1 1 62 62 ARG N N 15 117.158 0.1 . 1 . . . . 62 ARG N . 6922 1 782 . 1 1 62 62 ARG NE N 15 82.749 0.1 . 1 . . . . 62 ARG NE . 6922 1 783 . 1 1 63 63 ARG H H 1 8.423 0.01 . 1 . . . . 63 ARG H . 6922 1 784 . 1 1 63 63 ARG HA H 1 3.706 0.01 . 1 . . . . 63 ARG HA . 6922 1 785 . 1 1 63 63 ARG HB2 H 1 1.672 0.01 . 1 . . . . 63 ARG HB2 . 6922 1 786 . 1 1 63 63 ARG HB3 H 1 1.798 0.01 . 1 . . . . 63 ARG HB3 . 6922 1 787 . 1 1 63 63 ARG HG2 H 1 1.495 0.01 . 1 . . . . 63 ARG HG2 . 6922 1 788 . 1 1 63 63 ARG HG3 H 1 1.686 0.01 . 1 . . . . 63 ARG HG3 . 6922 1 789 . 1 1 63 63 ARG HD2 H 1 3.075 0.01 . 1 . . . . 63 ARG HD2 . 6922 1 790 . 1 1 63 63 ARG HE H 1 7.123 0.01 . 1 . . . . 63 ARG HE . 6922 1 791 . 1 1 63 63 ARG C C 13 178.856 0.1 . 1 . . . . 63 ARG C . 6922 1 792 . 1 1 63 63 ARG CA C 13 59.646 0.1 . 1 . . . . 63 ARG CA . 6922 1 793 . 1 1 63 63 ARG CB C 13 30.501 0.1 . 1 . . . . 63 ARG CB . 6922 1 794 . 1 1 63 63 ARG CG C 13 27.266 0.1 . 1 . . . . 63 ARG CG . 6922 1 795 . 1 1 63 63 ARG CD C 13 44.127 0.1 . 1 . . . . 63 ARG CD . 6922 1 796 . 1 1 63 63 ARG CZ C 13 159.789 0.1 . 1 . . . . 63 ARG CZ . 6922 1 797 . 1 1 63 63 ARG N N 15 116.702 0.1 . 1 . . . . 63 ARG N . 6922 1 798 . 1 1 63 63 ARG NE N 15 84.573 0.1 . 1 . . . . 63 ARG NE . 6922 1 799 . 1 1 64 64 LYS H H 1 7.143 0.01 . 1 . . . . 64 LYS H . 6922 1 800 . 1 1 64 64 LYS HA H 1 3.693 0.01 . 1 . . . . 64 LYS HA . 6922 1 801 . 1 1 64 64 LYS HB2 H 1 1.129 0.01 . 1 . . . . 64 LYS HB2 . 6922 1 802 . 1 1 64 64 LYS HB3 H 1 1.348 0.01 . 1 . . . . 64 LYS HB3 . 6922 1 803 . 1 1 64 64 LYS HG2 H 1 1.468 0.01 . 1 . . . . 64 LYS HG2 . 6922 1 804 . 1 1 64 64 LYS HD2 H 1 1.706 0.01 . 1 . . . . 64 LYS HD2 . 6922 1 805 . 1 1 64 64 LYS C C 13 178.187 0.1 . 1 . . . . 64 LYS C . 6922 1 806 . 1 1 64 64 LYS CA C 13 60.131 0.1 . 1 . . . . 64 LYS CA . 6922 1 807 . 1 1 64 64 LYS CB C 13 32.849 0.1 . 1 . . . . 64 LYS CB . 6922 1 808 . 1 1 64 64 LYS CD C 13 29.594 0.1 . 1 . . . . 64 LYS CD . 6922 1 809 . 1 1 64 64 LYS N N 15 121.075 0.1 . 1 . . . . 64 LYS N . 6922 1 810 . 1 1 65 65 LEU H H 1 7.898 0.01 . 1 . . . . 65 LEU H . 6922 1 811 . 1 1 65 65 LEU HA H 1 3.293 0.01 . 1 . . . . 65 LEU HA . 6922 1 812 . 1 1 65 65 LEU HB2 H 1 0.574 0.01 . 1 . . . . 65 LEU HB2 . 6922 1 813 . 1 1 65 65 LEU HB3 H 1 1.565 0.01 . 1 . . . . 65 LEU HB3 . 6922 1 814 . 1 1 65 65 LEU HG H 1 1.406 0.01 . 1 . . . . 65 LEU HG . 6922 1 815 . 1 1 65 65 LEU HD11 H 1 0.637 0.01 . 1 . . . . 65 LEU HD1 . 6922 1 816 . 1 1 65 65 LEU HD12 H 1 0.637 0.01 . 1 . . . . 65 LEU HD1 . 6922 1 817 . 1 1 65 65 LEU HD13 H 1 0.637 0.01 . 1 . . . . 65 LEU HD1 . 6922 1 818 . 1 1 65 65 LEU HD21 H 1 0.713 0.01 . 1 . . . . 65 LEU HD2 . 6922 1 819 . 1 1 65 65 LEU HD22 H 1 0.713 0.01 . 1 . . . . 65 LEU HD2 . 6922 1 820 . 1 1 65 65 LEU HD23 H 1 0.713 0.01 . 1 . . . . 65 LEU HD2 . 6922 1 821 . 1 1 65 65 LEU C C 13 177.004 0.1 . 1 . . . . 65 LEU C . 6922 1 822 . 1 1 65 65 LEU CA C 13 58.058 0.1 . 1 . . . . 65 LEU CA . 6922 1 823 . 1 1 65 65 LEU CB C 13 41.678 0.1 . 1 . . . . 65 LEU CB . 6922 1 824 . 1 1 65 65 LEU CG C 13 27.291 0.1 . 1 . . . . 65 LEU CG . 6922 1 825 . 1 1 65 65 LEU CD1 C 13 27.539 0.1 . 1 . . . . 65 LEU CD1 . 6922 1 826 . 1 1 65 65 LEU CD2 C 13 24.697 0.1 . 1 . . . . 65 LEU CD2 . 6922 1 827 . 1 1 65 65 LEU N N 15 118.726 0.1 . 1 . . . . 65 LEU N . 6922 1 828 . 1 1 66 66 LEU H H 1 8.224 0.01 . 1 . . . . 66 LEU H . 6922 1 829 . 1 1 66 66 LEU HA H 1 3.687 0.01 . 1 . . . . 66 LEU HA . 6922 1 830 . 1 1 66 66 LEU HB2 H 1 1.401 0.01 . 1 . . . . 66 LEU HB2 . 6922 1 831 . 1 1 66 66 LEU HB3 H 1 1.687 0.01 . 1 . . . . 66 LEU HB3 . 6922 1 832 . 1 1 66 66 LEU HG H 1 1.601 0.01 . 1 . . . . 66 LEU HG . 6922 1 833 . 1 1 66 66 LEU HD11 H 1 0.817 0.01 . 1 . . . . 66 LEU HD1 . 6922 1 834 . 1 1 66 66 LEU HD12 H 1 0.817 0.01 . 1 . . . . 66 LEU HD1 . 6922 1 835 . 1 1 66 66 LEU HD13 H 1 0.817 0.01 . 1 . . . . 66 LEU HD1 . 6922 1 836 . 1 1 66 66 LEU HD21 H 1 0.974 0.01 . 1 . . . . 66 LEU HD2 . 6922 1 837 . 1 1 66 66 LEU HD22 H 1 0.974 0.01 . 1 . . . . 66 LEU HD2 . 6922 1 838 . 1 1 66 66 LEU HD23 H 1 0.974 0.01 . 1 . . . . 66 LEU HD2 . 6922 1 839 . 1 1 66 66 LEU C C 13 181.094 0.1 . 1 . . . . 66 LEU C . 6922 1 840 . 1 1 66 66 LEU CA C 13 58.649 0.1 . 1 . . . . 66 LEU CA . 6922 1 841 . 1 1 66 66 LEU CB C 13 41.304 0.1 . 1 . . . . 66 LEU CB . 6922 1 842 . 1 1 66 66 LEU CG C 13 27.381 0.1 . 1 . . . . 66 LEU CG . 6922 1 843 . 1 1 66 66 LEU CD1 C 13 26.171 0.1 . 1 . . . . 66 LEU CD1 . 6922 1 844 . 1 1 66 66 LEU CD2 C 13 23.750 0.1 . 1 . . . . 66 LEU CD2 . 6922 1 845 . 1 1 66 66 LEU N N 15 115.972 0.1 . 1 . . . . 66 LEU N . 6922 1 846 . 1 1 67 67 LYS H H 1 7.726 0.01 . 1 . . . . 67 LYS H . 6922 1 847 . 1 1 67 67 LYS HA H 1 4.004 0.01 . 1 . . . . 67 LYS HA . 6922 1 848 . 1 1 67 67 LYS HB2 H 1 1.813 0.01 . 1 . . . . 67 LYS HB2 . 6922 1 849 . 1 1 67 67 LYS HG2 H 1 1.265 0.01 . 1 . . . . 67 LYS HG2 . 6922 1 850 . 1 1 67 67 LYS HG3 H 1 1.450 0.01 . 1 . . . . 67 LYS HG3 . 6922 1 851 . 1 1 67 67 LYS HD2 H 1 1.571 0.01 . 1 . . . . 67 LYS HD2 . 6922 1 852 . 1 1 67 67 LYS HE2 H 1 2.870 0.01 . 1 . . . . 67 LYS HE2 . 6922 1 853 . 1 1 67 67 LYS C C 13 179.172 0.1 . 1 . . . . 67 LYS C . 6922 1 854 . 1 1 67 67 LYS CA C 13 59.626 0.1 . 1 . . . . 67 LYS CA . 6922 1 855 . 1 1 67 67 LYS CB C 13 32.673 0.1 . 1 . . . . 67 LYS CB . 6922 1 856 . 1 1 67 67 LYS CG C 13 25.404 0.1 . 1 . . . . 67 LYS CG . 6922 1 857 . 1 1 67 67 LYS CD C 13 29.866 0.1 . 1 . . . . 67 LYS CD . 6922 1 858 . 1 1 67 67 LYS CE C 13 42.271 0.1 . 1 . . . . 67 LYS CE . 6922 1 859 . 1 1 67 67 LYS N N 15 121.906 0.1 . 1 . . . . 67 LYS N . 6922 1 860 . 1 1 68 68 ALA H H 1 8.031 0.01 . 1 . . . . 68 ALA H . 6922 1 861 . 1 1 68 68 ALA HA H 1 4.039 0.01 . 1 . . . . 68 ALA HA . 6922 1 862 . 1 1 68 68 ALA HB1 H 1 1.429 0.01 . 1 . . . . 68 ALA HB . 6922 1 863 . 1 1 68 68 ALA HB2 H 1 1.429 0.01 . 1 . . . . 68 ALA HB . 6922 1 864 . 1 1 68 68 ALA HB3 H 1 1.429 0.01 . 1 . . . . 68 ALA HB . 6922 1 865 . 1 1 68 68 ALA C C 13 180.321 0.1 . 1 . . . . 68 ALA C . 6922 1 866 . 1 1 68 68 ALA CA C 13 55.624 0.1 . 1 . . . . 68 ALA CA . 6922 1 867 . 1 1 68 68 ALA CB C 13 19.155 0.1 . 1 . . . . 68 ALA CB . 6922 1 868 . 1 1 68 68 ALA N N 15 123.564 0.1 . 1 . . . . 68 ALA N . 6922 1 869 . 1 1 69 69 PHE H H 1 9.713 0.01 . 1 . . . . 69 PHE H . 6922 1 870 . 1 1 69 69 PHE HA H 1 4.463 0.01 . 1 . . . . 69 PHE HA . 6922 1 871 . 1 1 69 69 PHE HB2 H 1 3.288 0.01 . 1 . . . . 69 PHE HB2 . 6922 1 872 . 1 1 69 69 PHE HB3 H 1 4.112 0.01 . 1 . . . . 69 PHE HB3 . 6922 1 873 . 1 1 69 69 PHE HD1 H 1 7.117 0.01 . 1 . . . . 69 PHE HD1 . 6922 1 874 . 1 1 69 69 PHE HE1 H 1 7.113 0.01 . 1 . . . . 69 PHE HE1 . 6922 1 875 . 1 1 69 69 PHE HZ H 1 6.780 0.01 . 1 . . . . 69 PHE HZ . 6922 1 876 . 1 1 69 69 PHE C C 13 178.676 0.1 . 1 . . . . 69 PHE C . 6922 1 877 . 1 1 69 69 PHE CA C 13 57.243 0.1 . 1 . . . . 69 PHE CA . 6922 1 878 . 1 1 69 69 PHE CB C 13 36.978 0.1 . 1 . . . . 69 PHE CB . 6922 1 879 . 1 1 69 69 PHE CD1 C 13 133.699 0.1 . 1 . . . . 69 PHE CD1 . 6922 1 880 . 1 1 69 69 PHE CZ C 13 128.179 0.1 . 1 . . . . 69 PHE CZ . 6922 1 881 . 1 1 69 69 PHE N N 15 117.129 0.1 . 1 . . . . 69 PHE N . 6922 1 882 . 1 1 70 70 GLY H H 1 8.092 0.01 . 1 . . . . 70 GLY H . 6922 1 883 . 1 1 70 70 GLY HA2 H 1 3.828 0.01 . 1 . . . . 70 GLY HA2 . 6922 1 884 . 1 1 70 70 GLY HA3 H 1 4.017 0.01 . 1 . . . . 70 GLY HA3 . 6922 1 885 . 1 1 70 70 GLY C C 13 176.891 0.1 . 1 . . . . 70 GLY C . 6922 1 886 . 1 1 70 70 GLY CA C 13 47.623 0.1 . 1 . . . . 70 GLY CA . 6922 1 887 . 1 1 70 70 GLY N N 15 104.644 0.1 . 1 . . . . 70 GLY N . 6922 1 888 . 1 1 71 71 ILE H H 1 7.457 0.01 . 1 . . . . 71 ILE H . 6922 1 889 . 1 1 71 71 ILE HA H 1 3.999 0.01 . 1 . . . . 71 ILE HA . 6922 1 890 . 1 1 71 71 ILE HB H 1 2.074 0.01 . 1 . . . . 71 ILE HB . 6922 1 891 . 1 1 71 71 ILE HG12 H 1 1.122 0.01 . 1 . . . . 71 ILE HG12 . 6922 1 892 . 1 1 71 71 ILE HG13 H 1 1.803 0.01 . 1 . . . . 71 ILE HG13 . 6922 1 893 . 1 1 71 71 ILE HG21 H 1 0.723 0.01 . 1 . . . . 71 ILE HG2 . 6922 1 894 . 1 1 71 71 ILE HG22 H 1 0.723 0.01 . 1 . . . . 71 ILE HG2 . 6922 1 895 . 1 1 71 71 ILE HG23 H 1 0.723 0.01 . 1 . . . . 71 ILE HG2 . 6922 1 896 . 1 1 71 71 ILE HD11 H 1 0.787 0.01 . 1 . . . . 71 ILE HD1 . 6922 1 897 . 1 1 71 71 ILE HD12 H 1 0.787 0.01 . 1 . . . . 71 ILE HD1 . 6922 1 898 . 1 1 71 71 ILE HD13 H 1 0.787 0.01 . 1 . . . . 71 ILE HD1 . 6922 1 899 . 1 1 71 71 ILE C C 13 177.565 0.1 . 1 . . . . 71 ILE C . 6922 1 900 . 1 1 71 71 ILE CA C 13 65.078 0.1 . 1 . . . . 71 ILE CA . 6922 1 901 . 1 1 71 71 ILE CB C 13 38.097 0.1 . 1 . . . . 71 ILE CB . 6922 1 902 . 1 1 71 71 ILE CG1 C 13 29.237 0.1 . 1 . . . . 71 ILE CG1 . 6922 1 903 . 1 1 71 71 ILE CG2 C 13 17.474 0.1 . 1 . . . . 71 ILE CG2 . 6922 1 904 . 1 1 71 71 ILE CD1 C 13 14.238 0.1 . 1 . . . . 71 ILE CD1 . 6922 1 905 . 1 1 71 71 ILE N N 15 123.440 0.1 . 1 . . . . 71 ILE N . 6922 1 906 . 1 1 72 72 VAL H H 1 7.881 0.01 . 1 . . . . 72 VAL H . 6922 1 907 . 1 1 72 72 VAL HA H 1 3.376 0.01 . 1 . . . . 72 VAL HA . 6922 1 908 . 1 1 72 72 VAL HB H 1 2.270 0.01 . 1 . . . . 72 VAL HB . 6922 1 909 . 1 1 72 72 VAL HG11 H 1 0.936 0.01 . 1 . . . . 72 VAL HG1 . 6922 1 910 . 1 1 72 72 VAL HG12 H 1 0.936 0.01 . 1 . . . . 72 VAL HG1 . 6922 1 911 . 1 1 72 72 VAL HG13 H 1 0.936 0.01 . 1 . . . . 72 VAL HG1 . 6922 1 912 . 1 1 72 72 VAL HG21 H 1 1.166 0.01 . 1 . . . . 72 VAL HG2 . 6922 1 913 . 1 1 72 72 VAL HG22 H 1 1.166 0.01 . 1 . . . . 72 VAL HG2 . 6922 1 914 . 1 1 72 72 VAL HG23 H 1 1.166 0.01 . 1 . . . . 72 VAL HG2 . 6922 1 915 . 1 1 72 72 VAL C C 13 178.207 0.1 . 1 . . . . 72 VAL C . 6922 1 916 . 1 1 72 72 VAL CA C 13 67.943 0.1 . 1 . . . . 72 VAL CA . 6922 1 917 . 1 1 72 72 VAL CB C 13 31.377 0.1 . 1 . . . . 72 VAL CB . 6922 1 918 . 1 1 72 72 VAL CG1 C 13 24.332 0.1 . 1 . . . . 72 VAL CG1 . 6922 1 919 . 1 1 72 72 VAL CG2 C 13 23.164 0.1 . 1 . . . . 72 VAL CG2 . 6922 1 920 . 1 1 72 72 VAL N N 15 119.743 0.1 . 1 . . . . 72 VAL N . 6922 1 921 . 1 1 73 73 ILE H H 1 9.255 0.01 . 1 . . . . 73 ILE H . 6922 1 922 . 1 1 73 73 ILE HA H 1 3.400 0.01 . 1 . . . . 73 ILE HA . 6922 1 923 . 1 1 73 73 ILE HB H 1 1.760 0.01 . 1 . . . . 73 ILE HB . 6922 1 924 . 1 1 73 73 ILE HG12 H 1 0.104 0.01 . 1 . . . . 73 ILE HG12 . 6922 1 925 . 1 1 73 73 ILE HG13 H 1 1.492 0.01 . 1 . . . . 73 ILE HG13 . 6922 1 926 . 1 1 73 73 ILE HG21 H 1 0.977 0.01 . 1 . . . . 73 ILE HG2 . 6922 1 927 . 1 1 73 73 ILE HG22 H 1 0.977 0.01 . 1 . . . . 73 ILE HG2 . 6922 1 928 . 1 1 73 73 ILE HG23 H 1 0.977 0.01 . 1 . . . . 73 ILE HG2 . 6922 1 929 . 1 1 73 73 ILE HD11 H 1 0.592 0.01 . 1 . . . . 73 ILE HD1 . 6922 1 930 . 1 1 73 73 ILE HD12 H 1 0.592 0.01 . 1 . . . . 73 ILE HD1 . 6922 1 931 . 1 1 73 73 ILE HD13 H 1 0.592 0.01 . 1 . . . . 73 ILE HD1 . 6922 1 932 . 1 1 73 73 ILE C C 13 177.549 0.1 . 1 . . . . 73 ILE C . 6922 1 933 . 1 1 73 73 ILE CA C 13 66.865 0.1 . 1 . . . . 73 ILE CA . 6922 1 934 . 1 1 73 73 ILE CB C 13 39.107 0.1 . 1 . . . . 73 ILE CB . 6922 1 935 . 1 1 73 73 ILE CG1 C 13 30.266 0.1 . 1 . . . . 73 ILE CG1 . 6922 1 936 . 1 1 73 73 ILE CG2 C 13 17.618 0.1 . 1 . . . . 73 ILE CG2 . 6922 1 937 . 1 1 73 73 ILE CD1 C 13 13.963 0.1 . 1 . . . . 73 ILE CD1 . 6922 1 938 . 1 1 73 73 ILE N N 15 120.111 0.1 . 1 . . . . 73 ILE N . 6922 1 939 . 1 1 74 74 ASP H H 1 7.621 0.01 . 1 . . . . 74 ASP H . 6922 1 940 . 1 1 74 74 ASP HA H 1 4.416 0.01 . 1 . . . . 74 ASP HA . 6922 1 941 . 1 1 74 74 ASP HB2 H 1 2.936 0.01 . 1 . . . . 74 ASP HB2 . 6922 1 942 . 1 1 74 74 ASP HB3 H 1 3.066 0.01 . 1 . . . . 74 ASP HB3 . 6922 1 943 . 1 1 74 74 ASP C C 13 178.079 0.1 . 1 . . . . 74 ASP C . 6922 1 944 . 1 1 74 74 ASP CA C 13 57.903 0.1 . 1 . . . . 74 ASP CA . 6922 1 945 . 1 1 74 74 ASP CB C 13 42.170 0.1 . 1 . . . . 74 ASP CB . 6922 1 946 . 1 1 74 74 ASP N N 15 118.709 0.1 . 1 . . . . 74 ASP N . 6922 1 947 . 1 1 75 75 TYR H H 1 8.242 0.01 . 1 . . . . 75 TYR H . 6922 1 948 . 1 1 75 75 TYR HA H 1 3.987 0.01 . 1 . . . . 75 TYR HA . 6922 1 949 . 1 1 75 75 TYR HB2 H 1 2.685 0.01 . 1 . . . . 75 TYR HB2 . 6922 1 950 . 1 1 75 75 TYR HB3 H 1 3.267 0.01 . 1 . . . . 75 TYR HB3 . 6922 1 951 . 1 1 75 75 TYR HD1 H 1 7.210 0.01 . 1 . . . . 75 TYR HD1 . 6922 1 952 . 1 1 75 75 TYR HE1 H 1 6.702 0.01 . 1 . . . . 75 TYR HE1 . 6922 1 953 . 1 1 75 75 TYR C C 13 178.316 0.1 . 1 . . . . 75 TYR C . 6922 1 954 . 1 1 75 75 TYR CA C 13 62.801 0.1 . 1 . . . . 75 TYR CA . 6922 1 955 . 1 1 75 75 TYR CB C 13 38.327 0.1 . 1 . . . . 75 TYR CB . 6922 1 956 . 1 1 75 75 TYR CD1 C 13 133.322 0.1 . 1 . . . . 75 TYR CD1 . 6922 1 957 . 1 1 75 75 TYR CE1 C 13 118.082 0.1 . 1 . . . . 75 TYR CE1 . 6922 1 958 . 1 1 75 75 TYR N N 15 118.829 0.1 . 1 . . . . 75 TYR N . 6922 1 959 . 1 1 76 76 LYS H H 1 9.331 0.01 . 1 . . . . 76 LYS H . 6922 1 960 . 1 1 76 76 LYS HA H 1 4.172 0.01 . 1 . . . . 76 LYS HA . 6922 1 961 . 1 1 76 76 LYS HB2 H 1 2.139 0.01 . 1 . . . . 76 LYS HB2 . 6922 1 962 . 1 1 76 76 LYS HB3 H 1 2.386 0.01 . 1 . . . . 76 LYS HB3 . 6922 1 963 . 1 1 76 76 LYS HG2 H 1 1.783 0.01 . 1 . . . . 76 LYS HG2 . 6922 1 964 . 1 1 76 76 LYS HG3 H 1 1.922 0.01 . 1 . . . . 76 LYS HG3 . 6922 1 965 . 1 1 76 76 LYS HD2 H 1 1.936 0.01 . 1 . . . . 76 LYS HD2 . 6922 1 966 . 1 1 76 76 LYS HE2 H 1 3.152 0.01 . 1 . . . . 76 LYS HE2 . 6922 1 967 . 1 1 76 76 LYS C C 13 180.980 0.1 . 1 . . . . 76 LYS C . 6922 1 968 . 1 1 76 76 LYS CA C 13 60.694 0.1 . 1 . . . . 76 LYS CA . 6922 1 969 . 1 1 76 76 LYS CB C 13 33.850 0.1 . 1 . . . . 76 LYS CB . 6922 1 970 . 1 1 76 76 LYS CG C 13 24.774 0.1 . 1 . . . . 76 LYS CG . 6922 1 971 . 1 1 76 76 LYS CD C 13 30.829 0.1 . 1 . . . . 76 LYS CD . 6922 1 972 . 1 1 76 76 LYS CE C 13 42.666 0.1 . 1 . . . . 76 LYS CE . 6922 1 973 . 1 1 76 76 LYS N N 15 123.079 0.1 . 1 . . . . 76 LYS N . 6922 1 974 . 1 1 77 77 GLU H H 1 9.320 0.01 . 1 . . . . 77 GLU H . 6922 1 975 . 1 1 77 77 GLU HA H 1 4.156 0.01 . 1 . . . . 77 GLU HA . 6922 1 976 . 1 1 77 77 GLU HB2 H 1 2.169 0.01 . 1 . . . . 77 GLU HB2 . 6922 1 977 . 1 1 77 77 GLU HB3 H 1 2.314 0.01 . 1 . . . . 77 GLU HB3 . 6922 1 978 . 1 1 77 77 GLU HG2 H 1 2.438 0.01 . 1 . . . . 77 GLU HG2 . 6922 1 979 . 1 1 77 77 GLU HG3 H 1 2.725 0.01 . 1 . . . . 77 GLU HG3 . 6922 1 980 . 1 1 77 77 GLU C C 13 178.978 0.1 . 1 . . . . 77 GLU C . 6922 1 981 . 1 1 77 77 GLU CA C 13 59.526 0.1 . 1 . . . . 77 GLU CA . 6922 1 982 . 1 1 77 77 GLU CB C 13 29.388 0.1 . 1 . . . . 77 GLU CB . 6922 1 983 . 1 1 77 77 GLU CG C 13 37.459 0.1 . 1 . . . . 77 GLU CG . 6922 1 984 . 1 1 77 77 GLU N N 15 121.203 0.1 . 1 . . . . 77 GLU N . 6922 1 985 . 1 1 78 78 ARG H H 1 7.596 0.01 . 1 . . . . 78 ARG H . 6922 1 986 . 1 1 78 78 ARG HA H 1 4.309 0.01 . 1 . . . . 78 ARG HA . 6922 1 987 . 1 1 78 78 ARG HB2 H 1 1.501 0.01 . 1 . . . . 78 ARG HB2 . 6922 1 988 . 1 1 78 78 ARG HB3 H 1 1.982 0.01 . 1 . . . . 78 ARG HB3 . 6922 1 989 . 1 1 78 78 ARG HG2 H 1 1.573 0.01 . 1 . . . . 78 ARG HG2 . 6922 1 990 . 1 1 78 78 ARG HG3 H 1 1.936 0.01 . 1 . . . . 78 ARG HG3 . 6922 1 991 . 1 1 78 78 ARG HD2 H 1 3.086 0.01 . 1 . . . . 78 ARG HD2 . 6922 1 992 . 1 1 78 78 ARG HE H 1 7.293 0.01 . 1 . . . . 78 ARG HE . 6922 1 993 . 1 1 78 78 ARG C C 13 174.666 0.1 . 1 . . . . 78 ARG C . 6922 1 994 . 1 1 78 78 ARG CA C 13 56.828 0.1 . 1 . . . . 78 ARG CA . 6922 1 995 . 1 1 78 78 ARG CB C 13 31.328 0.1 . 1 . . . . 78 ARG CB . 6922 1 996 . 1 1 78 78 ARG CG C 13 28.475 0.1 . 1 . . . . 78 ARG CG . 6922 1 997 . 1 1 78 78 ARG CD C 13 44.386 0.1 . 1 . . . . 78 ARG CD . 6922 1 998 . 1 1 78 78 ARG CZ C 13 159.616 0.1 . 1 . . . . 78 ARG CZ . 6922 1 999 . 1 1 78 78 ARG N N 15 117.293 0.1 . 1 . . . . 78 ARG N . 6922 1 1000 . 1 1 78 78 ARG NE N 15 86.030 0.1 . 1 . . . . 78 ARG NE . 6922 1 1001 . 1 1 79 79 ASP H H 1 8.194 0.01 . 1 . . . . 79 ASP H . 6922 1 1002 . 1 1 79 79 ASP HA H 1 4.622 0.01 . 1 . . . . 79 ASP HA . 6922 1 1003 . 1 1 79 79 ASP HB2 H 1 2.423 0.01 . 1 . . . . 79 ASP HB2 . 6922 1 1004 . 1 1 79 79 ASP HB3 H 1 3.238 0.01 . 1 . . . . 79 ASP HB3 . 6922 1 1005 . 1 1 79 79 ASP C C 13 176.232 0.1 . 1 . . . . 79 ASP C . 6922 1 1006 . 1 1 79 79 ASP CA C 13 55.023 0.1 . 1 . . . . 79 ASP CA . 6922 1 1007 . 1 1 79 79 ASP CB C 13 39.836 0.1 . 1 . . . . 79 ASP CB . 6922 1 1008 . 1 1 79 79 ASP N N 15 119.121 0.1 . 1 . . . . 79 ASP N . 6922 1 1009 . 1 1 80 80 LEU H H 1 8.524 0.01 . 1 . . . . 80 LEU H . 6922 1 1010 . 1 1 80 80 LEU HA H 1 4.451 0.01 . 1 . . . . 80 LEU HA . 6922 1 1011 . 1 1 80 80 LEU HB2 H 1 1.340 0.01 . 1 . . . . 80 LEU HB2 . 6922 1 1012 . 1 1 80 80 LEU HB3 H 1 1.539 0.01 . 1 . . . . 80 LEU HB3 . 6922 1 1013 . 1 1 80 80 LEU HG H 1 1.352 0.01 . 1 . . . . 80 LEU HG . 6922 1 1014 . 1 1 80 80 LEU HD11 H 1 0.319 0.01 . 1 . . . . 80 LEU HD1 . 6922 1 1015 . 1 1 80 80 LEU HD12 H 1 0.319 0.01 . 1 . . . . 80 LEU HD1 . 6922 1 1016 . 1 1 80 80 LEU HD13 H 1 0.319 0.01 . 1 . . . . 80 LEU HD1 . 6922 1 1017 . 1 1 80 80 LEU HD21 H 1 0.727 0.01 . 1 . . . . 80 LEU HD2 . 6922 1 1018 . 1 1 80 80 LEU HD22 H 1 0.727 0.01 . 1 . . . . 80 LEU HD2 . 6922 1 1019 . 1 1 80 80 LEU HD23 H 1 0.727 0.01 . 1 . . . . 80 LEU HD2 . 6922 1 1020 . 1 1 80 80 LEU C C 13 177.749 0.1 . 1 . . . . 80 LEU C . 6922 1 1021 . 1 1 80 80 LEU CA C 13 54.582 0.1 . 1 . . . . 80 LEU CA . 6922 1 1022 . 1 1 80 80 LEU CB C 13 43.841 0.1 . 1 . . . . 80 LEU CB . 6922 1 1023 . 1 1 80 80 LEU CG C 13 26.173 0.1 . 1 . . . . 80 LEU CG . 6922 1 1024 . 1 1 80 80 LEU CD1 C 13 24.894 0.1 . 1 . . . . 80 LEU CD1 . 6922 1 1025 . 1 1 80 80 LEU CD2 C 13 22.370 0.1 . 1 . . . . 80 LEU CD2 . 6922 1 1026 . 1 1 80 80 LEU N N 15 115.275 0.1 . 1 . . . . 80 LEU N . 6922 1 1027 . 1 1 81 81 ILE H H 1 7.486 0.01 . 1 . . . . 81 ILE H . 6922 1 1028 . 1 1 81 81 ILE HA H 1 4.299 0.01 . 1 . . . . 81 ILE HA . 6922 1 1029 . 1 1 81 81 ILE HB H 1 1.948 0.01 . 1 . . . . 81 ILE HB . 6922 1 1030 . 1 1 81 81 ILE HG12 H 1 0.858 0.01 . 1 . . . . 81 ILE HG12 . 6922 1 1031 . 1 1 81 81 ILE HG13 H 1 1.654 0.01 . 1 . . . . 81 ILE HG13 . 6922 1 1032 . 1 1 81 81 ILE HG21 H 1 0.731 0.01 . 1 . . . . 81 ILE HG2 . 6922 1 1033 . 1 1 81 81 ILE HG22 H 1 0.731 0.01 . 1 . . . . 81 ILE HG2 . 6922 1 1034 . 1 1 81 81 ILE HG23 H 1 0.731 0.01 . 1 . . . . 81 ILE HG2 . 6922 1 1035 . 1 1 81 81 ILE HD11 H 1 0.823 0.01 . 1 . . . . 81 ILE HD1 . 6922 1 1036 . 1 1 81 81 ILE HD12 H 1 0.823 0.01 . 1 . . . . 81 ILE HD1 . 6922 1 1037 . 1 1 81 81 ILE HD13 H 1 0.823 0.01 . 1 . . . . 81 ILE HD1 . 6922 1 1038 . 1 1 81 81 ILE C C 13 176.739 0.1 . 1 . . . . 81 ILE C . 6922 1 1039 . 1 1 81 81 ILE CA C 13 61.269 0.1 . 1 . . . . 81 ILE CA . 6922 1 1040 . 1 1 81 81 ILE CB C 13 38.598 0.1 . 1 . . . . 81 ILE CB . 6922 1 1041 . 1 1 81 81 ILE CG1 C 13 29.937 0.1 . 1 . . . . 81 ILE CG1 . 6922 1 1042 . 1 1 81 81 ILE CG2 C 13 16.850 0.1 . 1 . . . . 81 ILE CG2 . 6922 1 1043 . 1 1 81 81 ILE CD1 C 13 14.434 0.1 . 1 . . . . 81 ILE CD1 . 6922 1 1044 . 1 1 81 81 ILE N N 15 120.449 0.1 . 1 . . . . 81 ILE N . 6922 1 1045 . 1 1 82 82 ASP H H 1 9.359 0.01 . 1 . . . . 82 ASP H . 6922 1 1046 . 1 1 82 82 ASP HA H 1 4.407 0.01 . 1 . . . . 82 ASP HA . 6922 1 1047 . 1 1 82 82 ASP HB2 H 1 2.560 0.01 . 1 . . . . 82 ASP HB2 . 6922 1 1048 . 1 1 82 82 ASP HB3 H 1 2.816 0.01 . 1 . . . . 82 ASP HB3 . 6922 1 1049 . 1 1 82 82 ASP C C 13 177.162 0.1 . 1 . . . . 82 ASP C . 6922 1 1050 . 1 1 82 82 ASP CA C 13 56.199 0.1 . 1 . . . . 82 ASP CA . 6922 1 1051 . 1 1 82 82 ASP CB C 13 43.990 0.1 . 1 . . . . 82 ASP CB . 6922 1 1052 . 1 1 82 82 ASP N N 15 131.308 0.1 . 1 . . . . 82 ASP N . 6922 1 1053 . 1 1 83 83 ARG H H 1 8.752 0.01 . 1 . . . . 83 ARG H . 6922 1 1054 . 1 1 83 83 ARG HA H 1 4.332 0.01 . 1 . . . . 83 ARG HA . 6922 1 1055 . 1 1 83 83 ARG HB2 H 1 2.043 0.01 . 1 . . . . 83 ARG HB2 . 6922 1 1056 . 1 1 83 83 ARG HG2 H 1 1.889 0.01 . 1 . . . . 83 ARG HG2 . 6922 1 1057 . 1 1 83 83 ARG HD2 H 1 3.194 0.01 . 1 . . . . 83 ARG HD2 . 6922 1 1058 . 1 1 83 83 ARG HE H 1 7.279 0.01 . 1 . . . . 83 ARG HE . 6922 1 1059 . 1 1 83 83 ARG C C 13 178.527 0.1 . 1 . . . . 83 ARG C . 6922 1 1060 . 1 1 83 83 ARG CA C 13 58.472 0.1 . 1 . . . . 83 ARG CA . 6922 1 1061 . 1 1 83 83 ARG CB C 13 29.415 0.1 . 1 . . . . 83 ARG CB . 6922 1 1062 . 1 1 83 83 ARG CG C 13 26.694 0.1 . 1 . . . . 83 ARG CG . 6922 1 1063 . 1 1 83 83 ARG CD C 13 42.709 0.1 . 1 . . . . 83 ARG CD . 6922 1 1064 . 1 1 83 83 ARG CZ C 13 159.754 0.1 . 1 . . . . 83 ARG CZ . 6922 1 1065 . 1 1 83 83 ARG N N 15 124.071 0.1 . 1 . . . . 83 ARG N . 6922 1 1066 . 1 1 83 83 ARG NE N 15 83.404 0.1 . 1 . . . . 83 ARG NE . 6922 1 1067 . 1 1 84 84 SER H H 1 9.060 0.01 . 1 . . . . 84 SER H . 6922 1 1068 . 1 1 84 84 SER HA H 1 4.426 0.01 . 1 . . . . 84 SER HA . 6922 1 1069 . 1 1 84 84 SER HB2 H 1 3.940 0.01 . 1 . . . . 84 SER HB2 . 6922 1 1070 . 1 1 84 84 SER HB3 H 1 4.030 0.01 . 1 . . . . 84 SER HB3 . 6922 1 1071 . 1 1 84 84 SER C C 13 175.468 0.1 . 1 . . . . 84 SER C . 6922 1 1072 . 1 1 84 84 SER CA C 13 61.000 0.1 . 1 . . . . 84 SER CA . 6922 1 1073 . 1 1 84 84 SER CB C 13 63.365 0.1 . 1 . . . . 84 SER CB . 6922 1 1074 . 1 1 84 84 SER N N 15 116.056 0.1 . 1 . . . . 84 SER N . 6922 1 1075 . 1 1 85 85 ALA H H 1 8.392 0.01 . 1 . . . . 85 ALA H . 6922 1 1076 . 1 1 85 85 ALA HA H 1 4.134 0.01 . 1 . . . . 85 ALA HA . 6922 1 1077 . 1 1 85 85 ALA HB1 H 1 1.116 0.01 . 1 . . . . 85 ALA HB . 6922 1 1078 . 1 1 85 85 ALA HB2 H 1 1.116 0.01 . 1 . . . . 85 ALA HB . 6922 1 1079 . 1 1 85 85 ALA HB3 H 1 1.116 0.01 . 1 . . . . 85 ALA HB . 6922 1 1080 . 1 1 85 85 ALA C C 13 177.154 0.1 . 1 . . . . 85 ALA C . 6922 1 1081 . 1 1 85 85 ALA CA C 13 53.741 0.1 . 1 . . . . 85 ALA CA . 6922 1 1082 . 1 1 85 85 ALA CB C 13 20.166 0.1 . 1 . . . . 85 ALA CB . 6922 1 1083 . 1 1 85 85 ALA N N 15 122.847 0.1 . 1 . . . . 85 ALA N . 6922 1 1084 . 1 1 86 86 TYR H H 1 7.674 0.01 . 1 . . . . 86 TYR H . 6922 1 1085 . 1 1 86 86 TYR HA H 1 4.365 0.01 . 1 . . . . 86 TYR HA . 6922 1 1086 . 1 1 86 86 TYR HB2 H 1 3.014 0.01 . 1 . . . . 86 TYR HB2 . 6922 1 1087 . 1 1 86 86 TYR HB3 H 1 3.193 0.01 . 1 . . . . 86 TYR HB3 . 6922 1 1088 . 1 1 86 86 TYR HD1 H 1 7.343 0.01 . 1 . . . . 86 TYR HD1 . 6922 1 1089 . 1 1 86 86 TYR HE1 H 1 6.730 0.01 . 1 . . . . 86 TYR HE1 . 6922 1 1090 . 1 1 86 86 TYR C C 13 181.242 0.1 . 1 . . . . 86 TYR C . 6922 1 1091 . 1 1 86 86 TYR CA C 13 61.419 0.1 . 1 . . . . 86 TYR CA . 6922 1 1092 . 1 1 86 86 TYR CB C 13 39.401 0.1 . 1 . . . . 86 TYR CB . 6922 1 1093 . 1 1 86 86 TYR CD1 C 13 133.991 0.1 . 1 . . . . 86 TYR CD1 . 6922 1 1094 . 1 1 86 86 TYR CE1 C 13 118.628 0.1 . 1 . . . . 86 TYR CE1 . 6922 1 1095 . 1 1 86 86 TYR N N 15 123.360 0.1 . 1 . . . . 86 TYR N . 6922 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 6922 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $conditions_1 _RDC_list.Spectrometer_frequency_1H 500 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details '18 mg/mL Pf1' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . IPAP_HSQC 1 $sample_1 anisotropic 6922 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHNN . 1 1 9 9 SER N N 15 . . 1 1 9 9 SER H H 1 . 5.400 . . 2 . . . . . . . . . . . 6922 1 2 1DHNN . 1 1 11 11 THR N N 15 . . 1 1 11 11 THR H H 1 . 2.100 . . 2 . . . . . . . . . . . 6922 1 3 1DHNN . 1 1 12 12 ASP N N 15 . . 1 1 12 12 ASP H H 1 . -16.600 . . 2 . . . . . . . . . . . 6922 1 4 1DHNN . 1 1 14 14 LYS N N 15 . . 1 1 14 14 LYS H H 1 . 6.700 . . 2 . . . . . . . . . . . 6922 1 5 1DHNN . 1 1 15 15 LEU N N 15 . . 1 1 15 15 LEU H H 1 . 10.200 . . 2 . . . . . . . . . . . 6922 1 6 1DHNN . 1 1 17 17 LYS N N 15 . . 1 1 17 17 LYS H H 1 . 24.100 . . 2 . . . . . . . . . . . 6922 1 7 1DHNN . 1 1 19 19 ILE N N 15 . . 1 1 19 19 ILE H H 1 . -22.500 . . 2 . . . . . . . . . . . 6922 1 8 1DHNN . 1 1 22 22 TRP N N 15 . . 1 1 22 22 TRP H H 1 . -18.000 . . 2 . . . . . . . . . . . 6922 1 9 1DHNN . 1 1 23 23 LEU N N 15 . . 1 1 23 23 LEU H H 1 . -4.000 . . 2 . . . . . . . . . . . 6922 1 10 1DHNN . 1 1 24 24 LYS N N 15 . . 1 1 24 24 LYS H H 1 . -4.300 . . 2 . . . . . . . . . . . 6922 1 11 1DHNN . 1 1 26 26 LEU N N 15 . . 1 1 26 26 LEU H H 1 . -2.500 . . 2 . . . . . . . . . . . 6922 1 12 1DHNN . 1 1 27 27 ARG N N 15 . . 1 1 27 27 ARG H H 1 . 27.700 . . 2 . . . . . . . . . . . 6922 1 13 1DHNN . 1 1 28 28 LEU N N 15 . . 1 1 28 28 LEU H H 1 . 19.900 . . 2 . . . . . . . . . . . 6922 1 14 1DHNN . 1 1 29 29 HIS N N 15 . . 1 1 29 29 HIS H H 1 . -15.000 . . 2 . . . . . . . . . . . 6922 1 15 1DHNN . 1 1 30 30 LYS N N 15 . . 1 1 30 30 LYS H H 1 . -4.200 . . 2 . . . . . . . . . . . 6922 1 16 1DHNN . 1 1 33 33 ASP N N 15 . . 1 1 33 33 ASP H H 1 . -37.100 . . 2 . . . . . . . . . . . 6922 1 17 1DHNN . 1 1 34 34 ALA N N 15 . . 1 1 34 34 ALA H H 1 . -33.600 . . 2 . . . . . . . . . . . 6922 1 18 1DHNN . 1 1 35 35 LEU N N 15 . . 1 1 35 35 LEU H H 1 . -32.700 . . 2 . . . . . . . . . . . 6922 1 19 1DHNN . 1 1 36 36 SER N N 15 . . 1 1 36 36 SER H H 1 . -18.900 . . 2 . . . . . . . . . . . 6922 1 20 1DHNN . 1 1 37 37 GLY N N 15 . . 1 1 37 37 GLY H H 1 . 18.400 . . 2 . . . . . . . . . . . 6922 1 21 1DHNN . 1 1 38 38 THR N N 15 . . 1 1 38 38 THR H H 1 . -35.600 . . 2 . . . . . . . . . . . 6922 1 22 1DHNN . 1 1 40 40 TRP N N 15 . . 1 1 40 40 TRP H H 1 . 17.300 . . 2 . . . . . . . . . . . 6922 1 23 1DHNN . 1 1 41 41 ILE N N 15 . . 1 1 41 41 ILE H H 1 . 24.200 . . 2 . . . . . . . . . . . 6922 1 24 1DHNN . 1 1 42 42 GLU N N 15 . . 1 1 42 42 GLU H H 1 . -4.200 . . 2 . . . . . . . . . . . 6922 1 25 1DHNN . 1 1 44 44 ILE N N 15 . . 1 1 44 44 ILE H H 1 . 19.600 . . 2 . . . . . . . . . . . 6922 1 26 1DHNN . 1 1 45 45 TYR N N 15 . . 1 1 45 45 TYR H H 1 . 10.500 . . 2 . . . . . . . . . . . 6922 1 27 1DHNN . 1 1 47 47 ASP N N 15 . . 1 1 47 47 ASP H H 1 . -4.000 . . 2 . . . . . . . . . . . 6922 1 28 1DHNN . 1 1 48 48 ASP N N 15 . . 1 1 48 48 ASP H H 1 . 4.200 . . 2 . . . . . . . . . . . 6922 1 29 1DHNN . 1 1 49 49 GLU N N 15 . . 1 1 49 49 GLU H H 1 . -14.700 . . 2 . . . . . . . . . . . 6922 1 30 1DHNN . 1 1 50 50 THR N N 15 . . 1 1 50 50 THR H H 1 . 0.800 . . 2 . . . . . . . . . . . 6922 1 31 1DHNN . 1 1 51 51 LEU N N 15 . . 1 1 51 51 LEU H H 1 . 7.300 . . 2 . . . . . . . . . . . 6922 1 32 1DHNN . 1 1 52 52 GLU N N 15 . . 1 1 52 52 GLU H H 1 . -10.600 . . 2 . . . . . . . . . . . 6922 1 33 1DHNN . 1 1 53 53 LYS N N 15 . . 1 1 53 53 LYS H H 1 . -14.700 . . 2 . . . . . . . . . . . 6922 1 34 1DHNN . 1 1 55 55 GLY N N 15 . . 1 1 55 55 GLY H H 1 . 15.200 . . 2 . . . . . . . . . . . 6922 1 34 1DHNN . 1 1 70 70 GLY N N 15 . . 1 1 70 70 GLY H H 1 . -12.200 . . 2 . . . . . . . . . . . 6922 1 35 1DHNN . 1 1 56 56 VAL N N 15 . . 1 1 56 56 VAL H H 1 . -36.400 . . 2 . . . . . . . . . . . 6922 1 35 1DHNN . 1 1 71 71 ILE N N 15 . . 1 1 71 71 ILE H H 1 . -22.200 . . 2 . . . . . . . . . . . 6922 1 36 1DHNN . 1 1 72 72 VAL N N 15 . . 1 1 72 72 VAL H H 1 . 3.000 . . 2 . . . . . . . . . . . 6922 1 36 1DHNN . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . 4.100 . . 2 . . . . . . . . . . . 6922 1 37 1DHNN . 1 1 58 58 ALA N N 15 . . 1 1 58 58 ALA H H 1 . 23.400 . . 2 . . . . . . . . . . . 6922 1 37 1DHNN . 1 1 73 73 ILE N N 15 . . 1 1 73 73 ILE H H 1 . -0.800 . . 2 . . . . . . . . . . . 6922 1 38 1DHNN . 1 1 59 59 LEU N N 15 . . 1 1 59 59 LEU H H 1 . 1.100 . . 2 . . . . . . . . . . . 6922 1 38 1DHNN . 1 1 74 74 ASP N N 15 . . 1 1 74 74 ASP H H 1 . -28.800 . . 2 . . . . . . . . . . . 6922 1 39 1DHNN . 1 1 60 60 GLY N N 15 . . 1 1 60 60 GLY H H 1 . -8.900 . . 2 . . . . . . . . . . . 6922 1 39 1DHNN . 1 1 76 76 LYS N N 15 . . 1 1 76 76 LYS H H 1 . 3.200 . . 2 . . . . . . . . . . . 6922 1 40 1DHNN . 1 1 61 61 ALA N N 15 . . 1 1 61 61 ALA H H 1 . 24.300 . . 2 . . . . . . . . . . . 6922 1 40 1DHNN . 1 1 77 77 GLU N N 15 . . 1 1 77 77 GLU H H 1 . -14.200 . . 2 . . . . . . . . . . . 6922 1 41 1DHNN . 1 1 78 78 ARG N N 15 . . 1 1 78 78 ARG H H 1 . -33.700 . . 2 . . . . . . . . . . . 6922 1 41 1DHNN . 1 1 62 62 ARG N N 15 . . 1 1 62 62 ARG H H 1 . 22.200 . . 2 . . . . . . . . . . . 6922 1 42 1DHNN . 1 1 64 64 LYS N N 15 . . 1 1 64 64 LYS H H 1 . -4.200 . . 2 . . . . . . . . . . . 6922 1 42 1DHNN . 1 1 79 79 ASP N N 15 . . 1 1 79 79 ASP H H 1 . 28.600 . . 2 . . . . . . . . . . . 6922 1 43 1DHNN . 1 1 65 65 LEU N N 15 . . 1 1 65 65 LEU H H 1 . 18.100 . . 2 . . . . . . . . . . . 6922 1 43 1DHNN . 1 1 80 80 LEU N N 15 . . 1 1 80 80 LEU H H 1 . 31.900 . . 2 . . . . . . . . . . . 6922 1 44 1DHNN . 1 1 66 66 LEU N N 15 . . 1 1 66 66 LEU H H 1 . 6.300 . . 2 . . . . . . . . . . . 6922 1 44 1DHNN . 1 1 82 82 ASP N N 15 . . 1 1 82 82 ASP H H 1 . -37.600 . . 2 . . . . . . . . . . . 6922 1 45 1DHNN . 1 1 83 83 ARG N N 15 . . 1 1 83 83 ARG H H 1 . 21.400 . . 2 . . . . . . . . . . . 6922 1 45 1DHNN . 1 1 67 67 LYS N N 15 . . 1 1 67 67 LYS H H 1 . -17.600 . . 2 . . . . . . . . . . . 6922 1 46 1DHNN . 1 1 68 68 ALA N N 15 . . 1 1 68 68 ALA H H 1 . 9.700 . . 2 . . . . . . . . . . . 6922 1 46 1DHNN . 1 1 85 85 ALA N N 15 . . 1 1 85 85 ALA H H 1 . 4.500 . . 2 . . . . . . . . . . . 6922 1 47 1DHNN . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . 11.400 . . 2 . . . . . . . . . . . 6922 1 stop_ save_