data_6985 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6985 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'NMR charateriztion of the human Hexim1 TBD' 'Structure analysis' 'The data from the entries that make up this study were used to determine the structure of human Hexim1 TBD.' 6985 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6985 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the human Hexim1 TBD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-14 _Entry.Accession_date 2006-02-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sonja Dames . A. . 6985 2 Andre Schoenichen . . . 6985 3 Stephan Grzesiek . . . 6985 4 Matthias Geyer . . . 6985 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6985 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 447 6985 '15N chemical shifts' 112 6985 '1H chemical shifts' 740 6985 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2006-02-14 update BMRB 'complete entry citation' 6985 1 . . 2006-09-07 2006-02-14 original author 'original release' 6985 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6985 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16917728 _Citation.Full_citation . _Citation.Title 'NMR assignment of the Cyclin T-binding domain of human Hexim 1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 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 39 _Citation.Page_last 39 _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 Sonja Dames . A. . 6985 1 2 Andre Schoenichen . . . 6985 1 3 Stephan Grzesiek . . . 6985 1 4 Matthias Geyer . . . 6985 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignment' 6985 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6985 _Assembly.ID 1 _Assembly.Name 'Hexim1 TBD 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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'symmetric dimer' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6985 1 'protein-protein complex' 6985 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit 1' 1 $human_Hexim1_TBD . . yes native yes no 1 'C-terminal Cylin T-binding domain' . 6985 1 2 'subunit 2' 1 $human_Hexim1_TBD . . yes native yes no 1 'C-terminal Cylin T-binding domain' . 6985 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 6985 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcritpional regulation' 6985 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'Hexim1 TBD' 6985 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_Hexim1_TBD _Entity.Sf_category entity _Entity.Sf_framecode human_Hexim1_TBD _Entity.Entry_ID 6985 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hexim1 TBD' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'symmetric dimer' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAGDGSEFLQRDFSETYE RYHTESLQNMSKQELIKEYL ELEKCLSRMEDENNRLRLES KRLGGDDARVRELELELDRL RAENLQLLTENELHRQQERA PLSKFGD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'given sequence position plus 252' _Entity.Polymer_author_seq_details ; cloning artefact: N-terminal GA mutation A4 (= A256 in full length) instead of G ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12661 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GD7 . "The Structure Of The Cyclin T-Binding Domain Of Hexim1 Reveals The Molecular Basis For Regulation Of Transcription Elongation" . . . . . 100.00 107 100.00 100.00 1.34e-67 . . . . 6985 1 2 no DBJ BAA36166 . "HEXIM1 protein [Homo sapiens]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 3 no DBJ BAG36332 . "unnamed protein product [Homo sapiens]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 4 no DBJ BAG51211 . "unnamed protein product [Homo sapiens]" . . . . . 99.07 359 97.17 97.17 3.45e-63 . . . . 6985 1 5 no DBJ BAG74079 . "hexamethylene bis-acetamide inducible 1 [synthetic construct]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 6 no GB AAH06460 . "Hexamethylene bis-acetamide inducible 1 [Homo sapiens]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 7 no GB ABM84198 . "hexamethylene bis-acetamide inducible 1 [synthetic construct]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 8 no GB ABM87157 . "hexamethylene bis-acetamide inducible 1 [synthetic construct]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 9 no GB ABM87602 . "hexamethylene bis-acetamide inducible 1 [synthetic construct]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 10 no GB AIC55820 . "HEXIM1, partial [synthetic construct]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 11 no REF NP_001181605 . "protein HEXIM1 [Macaca mulatta]" . . . . . 99.07 359 98.11 98.11 4.68e-64 . . . . 6985 1 12 no REF NP_006451 . "protein HEXIM1 [Homo sapiens]" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 13 no REF XP_001488620 . "PREDICTED: protein HEXIM1 [Equus caballus]" . . . . . 99.07 359 97.17 97.17 2.27e-63 . . . . 6985 1 14 no REF XP_002919799 . "PREDICTED: protein HEXIM1-like [Ailuropoda melanoleuca]" . . . . . 99.07 359 97.17 97.17 1.26e-63 . . . . 6985 1 15 no REF XP_003270766 . "PREDICTED: protein HEXIM1 isoform 1 [Nomascus leucogenys]" . . . . . 99.07 359 98.11 98.11 6.25e-64 . . . . 6985 1 16 no SP O94992 . "RecName: Full=Protein HEXIM1; AltName: Full=Cardiac lineage protein 1; AltName: Full=Estrogen down-regulated gene 1 protein; Al" . . . . . 99.07 359 98.11 98.11 6.19e-64 . . . . 6985 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription regulation' 6985 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hexim1 TBD' abbreviation 6985 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID Hexim1 6985 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6985 1 2 . ALA . 6985 1 3 . MET . 6985 1 4 . ALA . 6985 1 5 . GLY . 6985 1 6 . ASP . 6985 1 7 . GLY . 6985 1 8 . SER . 6985 1 9 . GLU . 6985 1 10 . PHE . 6985 1 11 . LEU . 6985 1 12 . GLN . 6985 1 13 . ARG . 6985 1 14 . ASP . 6985 1 15 . PHE . 6985 1 16 . SER . 6985 1 17 . GLU . 6985 1 18 . THR . 6985 1 19 . TYR . 6985 1 20 . GLU . 6985 1 21 . ARG . 6985 1 22 . TYR . 6985 1 23 . HIS . 6985 1 24 . THR . 6985 1 25 . GLU . 6985 1 26 . SER . 6985 1 27 . LEU . 6985 1 28 . GLN . 6985 1 29 . ASN . 6985 1 30 . MET . 6985 1 31 . SER . 6985 1 32 . LYS . 6985 1 33 . GLN . 6985 1 34 . GLU . 6985 1 35 . LEU . 6985 1 36 . ILE . 6985 1 37 . LYS . 6985 1 38 . GLU . 6985 1 39 . TYR . 6985 1 40 . LEU . 6985 1 41 . GLU . 6985 1 42 . LEU . 6985 1 43 . GLU . 6985 1 44 . LYS . 6985 1 45 . CYS . 6985 1 46 . LEU . 6985 1 47 . SER . 6985 1 48 . ARG . 6985 1 49 . MET . 6985 1 50 . GLU . 6985 1 51 . ASP . 6985 1 52 . GLU . 6985 1 53 . ASN . 6985 1 54 . ASN . 6985 1 55 . ARG . 6985 1 56 . LEU . 6985 1 57 . ARG . 6985 1 58 . LEU . 6985 1 59 . GLU . 6985 1 60 . SER . 6985 1 61 . LYS . 6985 1 62 . ARG . 6985 1 63 . LEU . 6985 1 64 . GLY . 6985 1 65 . GLY . 6985 1 66 . ASP . 6985 1 67 . ASP . 6985 1 68 . ALA . 6985 1 69 . ARG . 6985 1 70 . VAL . 6985 1 71 . ARG . 6985 1 72 . GLU . 6985 1 73 . LEU . 6985 1 74 . GLU . 6985 1 75 . LEU . 6985 1 76 . GLU . 6985 1 77 . LEU . 6985 1 78 . ASP . 6985 1 79 . ARG . 6985 1 80 . LEU . 6985 1 81 . ARG . 6985 1 82 . ALA . 6985 1 83 . GLU . 6985 1 84 . ASN . 6985 1 85 . LEU . 6985 1 86 . GLN . 6985 1 87 . LEU . 6985 1 88 . LEU . 6985 1 89 . THR . 6985 1 90 . GLU . 6985 1 91 . ASN . 6985 1 92 . GLU . 6985 1 93 . LEU . 6985 1 94 . HIS . 6985 1 95 . ARG . 6985 1 96 . GLN . 6985 1 97 . GLN . 6985 1 98 . GLU . 6985 1 99 . ARG . 6985 1 100 . ALA . 6985 1 101 . PRO . 6985 1 102 . LEU . 6985 1 103 . SER . 6985 1 104 . LYS . 6985 1 105 . PHE . 6985 1 106 . GLY . 6985 1 107 . ASP . 6985 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6985 1 . ALA 2 2 6985 1 . MET 3 3 6985 1 . ALA 4 4 6985 1 . GLY 5 5 6985 1 . ASP 6 6 6985 1 . GLY 7 7 6985 1 . SER 8 8 6985 1 . GLU 9 9 6985 1 . PHE 10 10 6985 1 . LEU 11 11 6985 1 . GLN 12 12 6985 1 . ARG 13 13 6985 1 . ASP 14 14 6985 1 . PHE 15 15 6985 1 . SER 16 16 6985 1 . GLU 17 17 6985 1 . THR 18 18 6985 1 . TYR 19 19 6985 1 . GLU 20 20 6985 1 . ARG 21 21 6985 1 . TYR 22 22 6985 1 . HIS 23 23 6985 1 . THR 24 24 6985 1 . GLU 25 25 6985 1 . SER 26 26 6985 1 . LEU 27 27 6985 1 . GLN 28 28 6985 1 . ASN 29 29 6985 1 . MET 30 30 6985 1 . SER 31 31 6985 1 . LYS 32 32 6985 1 . GLN 33 33 6985 1 . GLU 34 34 6985 1 . LEU 35 35 6985 1 . ILE 36 36 6985 1 . LYS 37 37 6985 1 . GLU 38 38 6985 1 . TYR 39 39 6985 1 . LEU 40 40 6985 1 . GLU 41 41 6985 1 . LEU 42 42 6985 1 . GLU 43 43 6985 1 . LYS 44 44 6985 1 . CYS 45 45 6985 1 . LEU 46 46 6985 1 . SER 47 47 6985 1 . ARG 48 48 6985 1 . MET 49 49 6985 1 . GLU 50 50 6985 1 . ASP 51 51 6985 1 . GLU 52 52 6985 1 . ASN 53 53 6985 1 . ASN 54 54 6985 1 . ARG 55 55 6985 1 . LEU 56 56 6985 1 . ARG 57 57 6985 1 . LEU 58 58 6985 1 . GLU 59 59 6985 1 . SER 60 60 6985 1 . LYS 61 61 6985 1 . ARG 62 62 6985 1 . LEU 63 63 6985 1 . GLY 64 64 6985 1 . GLY 65 65 6985 1 . ASP 66 66 6985 1 . ASP 67 67 6985 1 . ALA 68 68 6985 1 . ARG 69 69 6985 1 . VAL 70 70 6985 1 . ARG 71 71 6985 1 . GLU 72 72 6985 1 . LEU 73 73 6985 1 . GLU 74 74 6985 1 . LEU 75 75 6985 1 . GLU 76 76 6985 1 . LEU 77 77 6985 1 . ASP 78 78 6985 1 . ARG 79 79 6985 1 . LEU 80 80 6985 1 . ARG 81 81 6985 1 . ALA 82 82 6985 1 . GLU 83 83 6985 1 . ASN 84 84 6985 1 . LEU 85 85 6985 1 . GLN 86 86 6985 1 . LEU 87 87 6985 1 . LEU 88 88 6985 1 . THR 89 89 6985 1 . GLU 90 90 6985 1 . ASN 91 91 6985 1 . GLU 92 92 6985 1 . LEU 93 93 6985 1 . HIS 94 94 6985 1 . ARG 95 95 6985 1 . GLN 96 96 6985 1 . GLN 97 97 6985 1 . GLU 98 98 6985 1 . ARG 99 99 6985 1 . ALA 100 100 6985 1 . PRO 101 101 6985 1 . LEU 102 102 6985 1 . SER 103 103 6985 1 . LYS 104 104 6985 1 . PHE 105 105 6985 1 . GLY 106 106 6985 1 . ASP 107 107 6985 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6985 _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 $human_Hexim1_TBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6985 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 6985 _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 $human_Hexim1_TBD . 'recombinant technology' . E.coli . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . Novagen . . . . . . 6985 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6985 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.2, 95% H2O/5% D2O' _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 'Hexim1 TBD' '[U-90% 15N]' . . 1 $human_Hexim1_TBD . protein 1.2 . . mM . . . . 6985 1 2 'potassium phosphate' . . . . . . buffer 20 . . mM . . . . 6985 1 3 'sodium chloride' . . . . . . salt 50 . . mM . . . . 6985 1 4 TCEP-HCl . . . . . . 'reducing agent' 10 . . mM . . . . 6985 1 5 DTE . . . . . . 'reducing agent' 1 0.1 1 mM . . . . 6985 1 6 H2O . . . . . . solvent 95 . . % . . . . 6985 1 7 D2O . . . . . . solvent 5 . . % . . . . 6985 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6985 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.2, 95% H2O/5% D2O' _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 'Hexim1 TBD' '[U-95% 13C; U-90% 15N]' . . 1 $human_Hexim1_TBD . protein 0.6 . . mM . . . . 6985 2 2 'potassium phosphate' . . . . . . buffer 20 . . mM . . . . 6985 2 3 'sodium chloride' . . . . . . salt 50 . . mM . . . . 6985 2 4 TCEP-HCl . . . . . . 'reducing agent' 10 . . mM . . . . 6985 2 5 DTE . . . . . . 'reducing agent' 1 0.1 1 mM . . . . 6985 2 6 H2O . . . . . . solvent 95 . . % . . . . 6985 2 7 D2O . . . . . . solvent 5 . . % . . . . 6985 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6985 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.2, 100% D2O' _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 'Hexim1 TBD' '[U-95% 13C; U-90% 15N]' . . 1 $human_Hexim1_TBD . protein 0.6 . . mM . . . . 6985 3 2 'potassium phosphate' . . . . . . buffer 20 . . mM . . . . 6985 3 3 'sodium chloride' . . . . . . salt 50 . . mM . . . . 6985 3 4 TCEP-HCl . . . . . . 'reducing agent' 10 . . mM . . . . 6985 3 5 DTE . . . . . . 'reducing agent' 1 0.1 1 mM . . . . 6985 3 6 D2O . . . . . . solvent 100 . . % . . . . 6985 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6985 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.2, 100% D2O' _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 'Hexim1 TBD' '[U-10% 13C]' . . 1 $human_Hexim1_TBD . protein 0.6 . . mM . . . . 6985 4 2 'potassium phosphate' . . . . . . buffer 20 . . mM . . . . 6985 4 3 'sodium chloride' . . . . . . salt 50 . . mM . . . . 6985 4 4 TCEP-HCl . . . . . . 'reducing agent' 10 . . mM . . . . 6985 4 5 DTE . . . . . . 'reducing agent' 1 0.1 1 mM . . . . 6985 4 6 D2O . . . . . . solvent 100 . . % . . . . 6985 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 6985 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.2, 95% H2O/5% D2O' _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 'Hexim1 TBD' '[U-95% 13C; U-90% 15N]' . . 1 $human_Hexim1_TBD . protein 1 . . mM . . . . 6985 5 2 'potassium phosphate' . . . . . . buffer 20 . . mM . . . . 6985 5 3 'sodium chloride' . . . . . . salt 50 . . mM . . . . 6985 5 4 TCEP-HCl . . . . . . 'reducing agent' 10 . . mM . . . . 6985 5 5 DTE . . . . . . 'reducing agent' 1 0.1 1 mM . . . . 6985 5 6 H2O . . . . . . solvent 95 . . % . . . . 6985 5 7 D2O . . . . . . solvent 5 . . % . . . . 6985 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 6985 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.2, 95% H2O/5% D2O' _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 'Hexim1 TBD' '[U-95% 13C; U-90% 15N]' . . 1 $human_Hexim1_TBD . protein 0.6 . . mM . . . . 6985 6 2 'potassium phosphate' . . . . . . buffer 20 . . mM . . . . 6985 6 3 'sodium chloride' . . . . . . salt 50 . . mM . . . . 6985 6 4 TCEP-HCl . . . . . . 'reducing agent' 10 . . mM . . . . 6985 6 5 DTE . . . . . . 'reducing agent' 1 0.1 1 mM . . . . 6985 6 6 'PF1 phage' . . . . . . phage 16 . . mg/ml . . . . 6985 6 7 H2O . . . . . . solvent 95 . . % . . . . 6985 6 8 D2O . . . . . . solvent 5 . . % . . . . 6985 6 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 6985 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.1 pH 6985 1 temperature 308 1 K 6985 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6985 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio' NIH http://spin.niddk.nih.gov/bax/software 6985 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6985 1 stop_ save_ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 6985 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'B. Johnson' 'One Moon Scientific Inc.' http://onemoonscientific.com/nmrview/ 6985 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'resonance assignment' 6985 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6985 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker DRX 800' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6985 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Bruker DRX600' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 6985 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6985 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6985 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6985 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 6985 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 . 1 $sample_1 isotropic 6985 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 ALA HA H 1 4.325 0.01 . 1 . . . . 2 ALA HA . 6985 1 2 . 1 1 2 2 ALA HB1 H 1 1.370 0.01 . 1 . . . . 2 ALA HB . 6985 1 3 . 1 1 2 2 ALA HB2 H 1 1.370 0.01 . 1 . . . . 2 ALA HB . 6985 1 4 . 1 1 2 2 ALA HB3 H 1 1.370 0.01 . 1 . . . . 2 ALA HB . 6985 1 5 . 1 1 2 2 ALA C C 13 177.721 0.15 . 1 . . . . 2 ALA C . 6985 1 6 . 1 1 2 2 ALA CA C 13 52.608 0.15 . 1 . . . . 2 ALA CA . 6985 1 7 . 1 1 2 2 ALA CB C 13 19.416 0.15 . 1 . . . . 2 ALA CB . 6985 1 8 . 1 1 3 3 MET H H 1 8.430 0.01 . 1 . . . . 3 MET HN . 6985 1 9 . 1 1 3 3 MET HA H 1 4.458 0.01 . 1 . . . . 3 MET HA . 6985 1 10 . 1 1 3 3 MET HB2 H 1 1.988 0.01 . 2 . . . . 3 MET HB2 . 6985 1 11 . 1 1 3 3 MET HB3 H 1 2.070 0.01 . 2 . . . . 3 MET HB3 . 6985 1 12 . 1 1 3 3 MET HG2 H 1 2.528 0.01 . 2 . . . . 3 MET HG2 . 6985 1 13 . 1 1 3 3 MET HG3 H 1 2.583 0.01 . 2 . . . . 3 MET HG3 . 6985 1 14 . 1 1 3 3 MET HE1 H 1 2.075 0.01 . 1 . . . . 3 MET HE . 6985 1 15 . 1 1 3 3 MET HE2 H 1 2.075 0.01 . 1 . . . . 3 MET HE . 6985 1 16 . 1 1 3 3 MET HE3 H 1 2.075 0.01 . 1 . . . . 3 MET HE . 6985 1 17 . 1 1 3 3 MET C C 13 175.857 0.15 . 1 . . . . 3 MET C . 6985 1 18 . 1 1 3 3 MET CA C 13 55.336 0.15 . 1 . . . . 3 MET CA . 6985 1 19 . 1 1 3 3 MET CB C 13 33.120 0.15 . 1 . . . . 3 MET CB . 6985 1 20 . 1 1 3 3 MET CG C 13 32.054 0.15 . 1 . . . . 3 MET CG . 6985 1 21 . 1 1 3 3 MET CE C 13 17.025 0.15 . 1 . . . . 3 MET CE . 6985 1 22 . 1 1 3 3 MET N N 15 119.621 0.05 . 1 . . . . 3 MET N . 6985 1 23 . 1 1 4 4 ALA H H 1 8.305 0.01 . 1 . . . . 4 ALA HN . 6985 1 24 . 1 1 4 4 ALA HA H 1 4.328 0.01 . 1 . . . . 4 ALA HA . 6985 1 25 . 1 1 4 4 ALA HB1 H 1 1.372 0.01 . 1 . . . . 4 ALA HB . 6985 1 26 . 1 1 4 4 ALA HB2 H 1 1.372 0.01 . 1 . . . . 4 ALA HB . 6985 1 27 . 1 1 4 4 ALA HB3 H 1 1.372 0.01 . 1 . . . . 4 ALA HB . 6985 1 28 . 1 1 4 4 ALA C C 13 178.080 0.15 . 1 . . . . 4 ALA C . 6985 1 29 . 1 1 4 4 ALA CA C 13 52.614 0.15 . 1 . . . . 4 ALA CA . 6985 1 30 . 1 1 4 4 ALA CB C 13 19.429 0.15 . 1 . . . . 4 ALA CB . 6985 1 31 . 1 1 4 4 ALA N N 15 125.277 0.05 . 1 . . . . 4 ALA N . 6985 1 32 . 1 1 5 5 GLY H H 1 8.321 0.01 . 1 . . . . 5 GLY HN . 6985 1 33 . 1 1 5 5 GLY HA2 H 1 3.953 0.01 . 1 . . . . 5 GLY QA . 6985 1 34 . 1 1 5 5 GLY HA3 H 1 3.953 0.01 . 1 . . . . 5 GLY QA . 6985 1 35 . 1 1 5 5 GLY C C 13 174.084 0.15 . 1 . . . . 5 GLY C . 6985 1 36 . 1 1 5 5 GLY CA C 13 45.373 0.15 . 1 . . . . 5 GLY CA . 6985 1 37 . 1 1 5 5 GLY N N 15 108.511 0.05 . 1 . . . . 5 GLY N . 6985 1 38 . 1 1 6 6 ASP H H 1 8.204 0.01 . 1 . . . . 6 ASP HN . 6985 1 39 . 1 1 6 6 ASP HA H 1 4.611 0.01 . 1 . . . . 6 ASP HA . 6985 1 40 . 1 1 6 6 ASP HB2 H 1 2.661 0.01 . 2 . . . . 6 ASP HB2 . 6985 1 41 . 1 1 6 6 ASP HB3 H 1 2.757 0.01 . 2 . . . . 6 ASP HB3 . 6985 1 42 . 1 1 6 6 ASP C C 13 177.090 0.15 . 1 . . . . 6 ASP C . 6985 1 43 . 1 1 6 6 ASP CA C 13 54.222 0.15 . 1 . . . . 6 ASP CA . 6985 1 44 . 1 1 6 6 ASP CB C 13 41.313 0.15 . 1 . . . . 6 ASP CB . 6985 1 45 . 1 1 6 6 ASP N N 15 120.183 0.05 . 1 . . . . 6 ASP N . 6985 1 46 . 1 1 7 7 GLY H H 1 8.513 0.01 . 1 . . . . 7 GLY HN . 6985 1 47 . 1 1 7 7 GLY HA2 H 1 3.908 0.01 . 2 . . . . 7 GLY HA2 . 6985 1 48 . 1 1 7 7 GLY HA3 H 1 4.087 0.01 . 2 . . . . 7 GLY HA3 . 6985 1 49 . 1 1 7 7 GLY C C 13 174.919 0.15 . 1 . . . . 7 GLY C . 6985 1 50 . 1 1 7 7 GLY CA C 13 45.666 0.15 . 1 . . . . 7 GLY CA . 6985 1 51 . 1 1 7 7 GLY N N 15 109.817 0.05 . 1 . . . . 7 GLY N . 6985 1 52 . 1 1 8 8 SER H H 1 8.243 0.01 . 1 . . . . 8 SER HN . 6985 1 53 . 1 1 8 8 SER HA H 1 4.328 0.01 . 1 . . . . 8 SER HA . 6985 1 54 . 1 1 8 8 SER HB2 H 1 3.818 0.01 . 2 . . . . 8 SER HB2 . 6985 1 55 . 1 1 8 8 SER HB3 H 1 3.873 0.01 . 2 . . . . 8 SER HB3 . 6985 1 56 . 1 1 8 8 SER C C 13 175.021 0.15 . 1 . . . . 8 SER C . 6985 1 57 . 1 1 8 8 SER CA C 13 59.236 0.15 . 1 . . . . 8 SER CA . 6985 1 58 . 1 1 8 8 SER CB C 13 63.732 0.15 . 1 . . . . 8 SER CB . 6985 1 59 . 1 1 8 8 SER N N 15 116.083 0.05 . 1 . . . . 8 SER N . 6985 1 60 . 1 1 9 9 GLU H H 1 8.698 0.01 . 1 . . . . 9 GLU HN . 6985 1 61 . 1 1 9 9 GLU HA H 1 4.183 0.01 . 1 . . . . 9 GLU HA . 6985 1 62 . 1 1 9 9 GLU HB2 H 1 1.821 0.01 . 2 . . . . 9 GLU HB2 . 6985 1 63 . 1 1 9 9 GLU HB3 H 1 1.880 0.01 . 2 . . . . 9 GLU HB3 . 6985 1 64 . 1 1 9 9 GLU HG2 H 1 1.992 0.01 . 2 . . . . 9 GLU HG2 . 6985 1 65 . 1 1 9 9 GLU HG3 H 1 2.100 0.01 . 2 . . . . 9 GLU HG3 . 6985 1 66 . 1 1 9 9 GLU C C 13 176.366 0.15 . 1 . . . . 9 GLU C . 6985 1 67 . 1 1 9 9 GLU CA C 13 57.300 0.15 . 1 . . . . 9 GLU CA . 6985 1 68 . 1 1 9 9 GLU CB C 13 29.790 0.15 . 1 . . . . 9 GLU CB . 6985 1 69 . 1 1 9 9 GLU CG C 13 36.076 0.15 . 1 . . . . 9 GLU CG . 6985 1 70 . 1 1 9 9 GLU N N 15 122.580 0.05 . 1 . . . . 9 GLU N . 6985 1 71 . 1 1 10 10 PHE H H 1 7.999 0.01 . 1 . . . . 10 PHE HN . 6985 1 72 . 1 1 10 10 PHE HA H 1 4.584 0.01 . 1 . . . . 10 PHE HA . 6985 1 73 . 1 1 10 10 PHE HB2 H 1 3.155 0.01 . 1 . . . . 10 PHE HB2 . 6985 1 74 . 1 1 10 10 PHE HB3 H 1 2.972 0.01 . 1 . . . . 10 PHE HB3 . 6985 1 75 . 1 1 10 10 PHE HD1 H 1 7.195 0.01 . 3 . . . . 10 PHE QD . 6985 1 76 . 1 1 10 10 PHE HD2 H 1 7.195 0.01 . 3 . . . . 10 PHE QD . 6985 1 77 . 1 1 10 10 PHE C C 13 175.519 0.15 . 1 . . . . 10 PHE C . 6985 1 78 . 1 1 10 10 PHE CA C 13 57.770 0.15 . 1 . . . . 10 PHE CA . 6985 1 79 . 1 1 10 10 PHE CB C 13 39.350 0.15 . 1 . . . . 10 PHE CB . 6985 1 80 . 1 1 10 10 PHE CD1 C 13 131.822 0.15 . 3 . . . . 10 PHE CD1 . 6985 1 81 . 1 1 10 10 PHE N N 15 119.993 0.05 . 1 . . . . 10 PHE N . 6985 1 82 . 1 1 11 11 LEU H H 1 7.873 0.01 . 1 . . . . 11 LEU HN . 6985 1 83 . 1 1 11 11 LEU HA H 1 4.274 0.01 . 1 . . . . 11 LEU HA . 6985 1 84 . 1 1 11 11 LEU HB2 H 1 1.516 0.01 . 2 . . . . 11 LEU HB2 . 6985 1 85 . 1 1 11 11 LEU HB3 H 1 1.580 0.01 . 2 . . . . 11 LEU HB3 . 6985 1 86 . 1 1 11 11 LEU HG H 1 1.514 0.01 . 1 . . . . 11 LEU HG . 6985 1 87 . 1 1 11 11 LEU HD11 H 1 0.877 0.01 . 1 . . . . 11 LEU HD1 . 6985 1 88 . 1 1 11 11 LEU HD12 H 1 0.877 0.01 . 1 . . . . 11 LEU HD1 . 6985 1 89 . 1 1 11 11 LEU HD13 H 1 0.877 0.01 . 1 . . . . 11 LEU HD1 . 6985 1 90 . 1 1 11 11 LEU HD21 H 1 0.826 0.01 . 1 . . . . 11 LEU HD2 . 6985 1 91 . 1 1 11 11 LEU HD22 H 1 0.826 0.01 . 1 . . . . 11 LEU HD2 . 6985 1 92 . 1 1 11 11 LEU HD23 H 1 0.826 0.01 . 1 . . . . 11 LEU HD2 . 6985 1 93 . 1 1 11 11 LEU C C 13 176.827 0.15 . 1 . . . . 11 LEU C . 6985 1 94 . 1 1 11 11 LEU CA C 13 55.177 0.15 . 1 . . . . 11 LEU CA . 6985 1 95 . 1 1 11 11 LEU CB C 13 42.488 0.15 . 1 . . . . 11 LEU CB . 6985 1 96 . 1 1 11 11 LEU CG C 13 26.862 0.15 . 1 . . . . 11 LEU CG . 6985 1 97 . 1 1 11 11 LEU CD1 C 13 24.931 0.15 . 1 . . . . 11 LEU CD1 . 6985 1 98 . 1 1 11 11 LEU CD2 C 13 23.606 0.15 . 1 . . . . 11 LEU CD2 . 6985 1 99 . 1 1 11 11 LEU N N 15 122.901 0.05 . 1 . . . . 11 LEU N . 6985 1 100 . 1 1 12 12 GLN H H 1 8.158 0.01 . 1 . . . . 12 GLN HN . 6985 1 101 . 1 1 12 12 GLN HA H 1 4.247 0.01 . 1 . . . . 12 GLN HA . 6985 1 102 . 1 1 12 12 GLN HB2 H 1 1.946 0.01 . 1 . . . . 12 GLN HB2 . 6985 1 103 . 1 1 12 12 GLN HB3 H 1 2.066 0.01 . 1 . . . . 12 GLN HB3 . 6985 1 104 . 1 1 12 12 GLN HG2 H 1 2.308 0.01 . 1 . . . . 12 GLN QG . 6985 1 105 . 1 1 12 12 GLN HG3 H 1 2.308 0.01 . 1 . . . . 12 GLN QG . 6985 1 106 . 1 1 12 12 GLN HE21 H 1 7.491 0.01 . 2 . . . . 12 GLN HE21 . 6985 1 107 . 1 1 12 12 GLN HE22 H 1 6.781 0.01 . 2 . . . . 12 GLN HE22 . 6985 1 108 . 1 1 12 12 GLN C C 13 175.738 0.15 . 1 . . . . 12 GLN C . 6985 1 109 . 1 1 12 12 GLN CA C 13 55.868 0.15 . 1 . . . . 12 GLN CA . 6985 1 110 . 1 1 12 12 GLN CB C 13 29.212 0.15 . 1 . . . . 12 GLN CB . 6985 1 111 . 1 1 12 12 GLN CG C 13 33.822 0.15 . 1 . . . . 12 GLN CG . 6985 1 112 . 1 1 12 12 GLN N N 15 121.003 0.05 . 1 . . . . 12 GLN N . 6985 1 113 . 1 1 12 12 GLN NE2 N 15 112.171 0.05 . 1 . . . . 12 GLN NE2 . 6985 1 114 . 1 1 13 13 ARG H H 1 8.160 0.01 . 1 . . . . 13 ARG HN . 6985 1 115 . 1 1 13 13 ARG HA H 1 4.211 0.01 . 1 . . . . 13 ARG HA . 6985 1 116 . 1 1 13 13 ARG HB2 H 1 1.632 0.01 . 2 . . . . 13 ARG HB2 . 6985 1 117 . 1 1 13 13 ARG HB3 H 1 1.678 0.01 . 2 . . . . 13 ARG HB3 . 6985 1 118 . 1 1 13 13 ARG HG2 H 1 1.451 0.01 . 2 . . . . 13 ARG HG2 . 6985 1 119 . 1 1 13 13 ARG HG3 H 1 1.485 0.01 . 2 . . . . 13 ARG HG3 . 6985 1 120 . 1 1 13 13 ARG HD2 H 1 3.083 0.01 . 1 . . . . 13 ARG QD . 6985 1 121 . 1 1 13 13 ARG HD3 H 1 3.083 0.01 . 1 . . . . 13 ARG QD . 6985 1 122 . 1 1 13 13 ARG C C 13 175.519 0.15 . 1 . . . . 13 ARG C . 6985 1 123 . 1 1 13 13 ARG CA C 13 56.074 0.15 . 1 . . . . 13 ARG CA . 6985 1 124 . 1 1 13 13 ARG CB C 13 31.048 0.15 . 1 . . . . 13 ARG CB . 6985 1 125 . 1 1 13 13 ARG CG C 13 26.882 0.15 . 1 . . . . 13 ARG CG . 6985 1 126 . 1 1 13 13 ARG CD C 13 43.367 0.15 . 1 . . . . 13 ARG CD . 6985 1 127 . 1 1 13 13 ARG N N 15 122.254 0.05 . 1 . . . . 13 ARG N . 6985 1 128 . 1 1 14 14 ASP H H 1 8.221 0.01 . 1 . . . . 14 ASP HN . 6985 1 129 . 1 1 14 14 ASP HA H 1 4.542 0.01 . 1 . . . . 14 ASP HA . 6985 1 130 . 1 1 14 14 ASP HB2 H 1 2.529 0.01 . 2 . . . . 14 ASP HB2 . 6985 1 131 . 1 1 14 14 ASP HB3 H 1 2.597 0.01 . 2 . . . . 14 ASP HB3 . 6985 1 132 . 1 1 14 14 ASP C C 13 176.087 0.15 . 1 . . . . 14 ASP C . 6985 1 133 . 1 1 14 14 ASP CA C 13 54.166 0.15 . 1 . . . . 14 ASP CA . 6985 1 134 . 1 1 14 14 ASP CB C 13 41.342 0.15 . 1 . . . . 14 ASP CB . 6985 1 135 . 1 1 14 14 ASP N N 15 121.129 0.05 . 1 . . . . 14 ASP N . 6985 1 136 . 1 1 15 15 PHE H H 1 8.189 0.01 . 1 . . . . 15 PHE HN . 6985 1 137 . 1 1 15 15 PHE HA H 1 4.575 0.01 . 1 . . . . 15 PHE HA . 6985 1 138 . 1 1 15 15 PHE HB2 H 1 2.997 0.01 . 1 . . . . 15 PHE HB2 . 6985 1 139 . 1 1 15 15 PHE HB3 H 1 3.159 0.01 . 1 . . . . 15 PHE HB3 . 6985 1 140 . 1 1 15 15 PHE HD1 H 1 7.192 0.01 . 3 . . . . 15 PHE QD . 6985 1 141 . 1 1 15 15 PHE HD2 H 1 7.192 0.01 . 3 . . . . 15 PHE QD . 6985 1 142 . 1 1 15 15 PHE C C 13 175.920 0.15 . 1 . . . . 15 PHE C . 6985 1 143 . 1 1 15 15 PHE CA C 13 58.151 0.15 . 1 . . . . 15 PHE CA . 6985 1 144 . 1 1 15 15 PHE CB C 13 39.250 0.15 . 1 . . . . 15 PHE CB . 6985 1 145 . 1 1 15 15 PHE CD1 C 13 131.545 0.15 . 3 . . . . 15 PHE CD1 . 6985 1 146 . 1 1 15 15 PHE N N 15 121.128 0.05 . 1 . . . . 15 PHE N . 6985 1 147 . 1 1 16 16 SER H H 1 8.252 0.01 . 1 . . . . 16 SER HN . 6985 1 148 . 1 1 16 16 SER HA H 1 4.344 0.01 . 1 . . . . 16 SER HA . 6985 1 149 . 1 1 16 16 SER HB2 H 1 3.837 0.01 . 2 . . . . 16 SER HB2 . 6985 1 150 . 1 1 16 16 SER HB3 H 1 3.901 0.01 . 2 . . . . 16 SER HB3 . 6985 1 151 . 1 1 16 16 SER C C 13 174.730 0.15 . 1 . . . . 16 SER C . 6985 1 152 . 1 1 16 16 SER CA C 13 59.029 0.15 . 1 . . . . 16 SER CA . 6985 1 153 . 1 1 16 16 SER CB C 13 63.906 0.15 . 1 . . . . 16 SER CB . 6985 1 154 . 1 1 16 16 SER N N 15 116.984 0.05 . 1 . . . . 16 SER N . 6985 1 155 . 1 1 17 17 GLU H H 1 8.384 0.01 . 1 . . . . 17 GLU HN . 6985 1 156 . 1 1 17 17 GLU HA H 1 4.284 0.01 . 1 . . . . 17 GLU HA . 6985 1 157 . 1 1 17 17 GLU HB2 H 1 1.963 0.01 . 1 . . . . 17 GLU HB2 . 6985 1 158 . 1 1 17 17 GLU HB3 H 1 2.053 0.01 . 1 . . . . 17 GLU HB3 . 6985 1 159 . 1 1 17 17 GLU HG2 H 1 2.220 0.01 . 2 . . . . 17 GLU HG2 . 6985 1 160 . 1 1 17 17 GLU HG3 H 1 2.278 0.01 . 2 . . . . 17 GLU HG3 . 6985 1 161 . 1 1 17 17 GLU C C 13 176.951 0.15 . 1 . . . . 17 GLU C . 6985 1 162 . 1 1 17 17 GLU CA C 13 57.353 0.15 . 1 . . . . 17 GLU CA . 6985 1 163 . 1 1 17 17 GLU CB C 13 30.110 0.15 . 1 . . . . 17 GLU CB . 6985 1 164 . 1 1 17 17 GLU CG C 13 36.363 0.15 . 1 . . . . 17 GLU CG . 6985 1 165 . 1 1 17 17 GLU N N 15 122.515 0.05 . 1 . . . . 17 GLU N . 6985 1 166 . 1 1 18 18 THR H H 1 7.977 0.01 . 1 . . . . 18 THR HN . 6985 1 167 . 1 1 18 18 THR HA H 1 4.188 0.01 . 1 . . . . 18 THR HA . 6985 1 168 . 1 1 18 18 THR HB H 1 4.138 0.01 . 1 . . . . 18 THR HB . 6985 1 169 . 1 1 18 18 THR HG21 H 1 1.121 0.01 . 1 . . . . 18 THR HG2 . 6985 1 170 . 1 1 18 18 THR HG22 H 1 1.121 0.01 . 1 . . . . 18 THR HG2 . 6985 1 171 . 1 1 18 18 THR HG23 H 1 1.121 0.01 . 1 . . . . 18 THR HG2 . 6985 1 172 . 1 1 18 18 THR C C 13 174.530 0.15 . 1 . . . . 18 THR C . 6985 1 173 . 1 1 18 18 THR CA C 13 62.693 0.15 . 1 . . . . 18 THR CA . 6985 1 174 . 1 1 18 18 THR CB C 13 69.655 0.15 . 1 . . . . 18 THR CB . 6985 1 175 . 1 1 18 18 THR CG2 C 13 21.707 0.15 . 1 . . . . 18 THR CG2 . 6985 1 176 . 1 1 18 18 THR N N 15 114.084 0.05 . 1 . . . . 18 THR N . 6985 1 177 . 1 1 19 19 TYR H H 1 8.084 0.01 . 1 . . . . 19 TYR HN . 6985 1 178 . 1 1 19 19 TYR HA H 1 4.418 0.01 . 1 . . . . 19 TYR HA . 6985 1 179 . 1 1 19 19 TYR HB2 H 1 2.979 0.01 . 1 . . . . 19 TYR QB . 6985 1 180 . 1 1 19 19 TYR HB3 H 1 2.979 0.01 . 1 . . . . 19 TYR QB . 6985 1 181 . 1 1 19 19 TYR HD1 H 1 7.017 0.01 . 3 . . . . 19 TYR QD . 6985 1 182 . 1 1 19 19 TYR HD2 H 1 7.017 0.01 . 3 . . . . 19 TYR QD . 6985 1 183 . 1 1 19 19 TYR HE1 H 1 6.737 0.01 . 3 . . . . 19 TYR QE . 6985 1 184 . 1 1 19 19 TYR C C 13 175.928 0.15 . 1 . . . . 19 TYR C . 6985 1 185 . 1 1 19 19 TYR CA C 13 58.969 0.15 . 1 . . . . 19 TYR CA . 6985 1 186 . 1 1 19 19 TYR CB C 13 38.752 0.15 . 1 . . . . 19 TYR CB . 6985 1 187 . 1 1 19 19 TYR CD1 C 13 133.209 0.15 . 3 . . . . 19 TYR CD1 . 6985 1 188 . 1 1 19 19 TYR CE1 C 13 118.241 0.15 . 3 . . . . 19 TYR CE1 . 6985 1 189 . 1 1 19 19 TYR N N 15 122.462 0.05 . 1 . . . . 19 TYR N . 6985 1 190 . 1 1 20 20 GLU H H 1 8.257 0.01 . 1 . . . . 20 GLU HN . 6985 1 191 . 1 1 20 20 GLU HA H 1 4.075 0.01 . 1 . . . . 20 GLU HA . 6985 1 192 . 1 1 20 20 GLU HB2 H 1 1.907 0.01 . 1 . . . . 20 GLU QB . 6985 1 193 . 1 1 20 20 GLU HB3 H 1 1.907 0.01 . 1 . . . . 20 GLU QB . 6985 1 194 . 1 1 20 20 GLU HG2 H 1 2.151 0.01 . 2 . . . . 20 GLU HG2 . 6985 1 195 . 1 1 20 20 GLU HG3 H 1 2.204 0.01 . 2 . . . . 20 GLU HG3 . 6985 1 196 . 1 1 20 20 GLU C C 13 176.780 0.15 . 1 . . . . 20 GLU C . 6985 1 197 . 1 1 20 20 GLU CA C 13 57.804 0.15 . 1 . . . . 20 GLU CA . 6985 1 198 . 1 1 20 20 GLU CB C 13 29.973 0.15 . 1 . . . . 20 GLU CB . 6985 1 199 . 1 1 20 20 GLU CG C 13 36.290 0.15 . 1 . . . . 20 GLU CG . 6985 1 200 . 1 1 20 20 GLU N N 15 122.572 0.05 . 1 . . . . 20 GLU N . 6985 1 201 . 1 1 21 21 ARG H H 1 8.049 0.01 . 1 . . . . 21 ARG HN . 6985 1 202 . 1 1 21 21 ARG HA H 1 4.151 0.01 . 1 . . . . 21 ARG HA . 6985 1 203 . 1 1 21 21 ARG HB2 H 1 1.731 0.01 . 1 . . . . 21 ARG QB . 6985 1 204 . 1 1 21 21 ARG HB3 H 1 1.731 0.01 . 1 . . . . 21 ARG QB . 6985 1 205 . 1 1 21 21 ARG HG2 H 1 1.483 0.01 . 2 . . . . 21 ARG HG2 . 6985 1 206 . 1 1 21 21 ARG HG3 H 1 1.541 0.01 . 2 . . . . 21 ARG HG3 . 6985 1 207 . 1 1 21 21 ARG HD2 H 1 3.097 0.01 . 1 . . . . 21 ARG QD . 6985 1 208 . 1 1 21 21 ARG HD3 H 1 3.097 0.01 . 1 . . . . 21 ARG QD . 6985 1 209 . 1 1 21 21 ARG C C 13 176.888 0.15 . 1 . . . . 21 ARG C . 6985 1 210 . 1 1 21 21 ARG CA C 13 57.427 0.15 . 1 . . . . 21 ARG CA . 6985 1 211 . 1 1 21 21 ARG CB C 13 30.555 0.15 . 1 . . . . 21 ARG CB . 6985 1 212 . 1 1 21 21 ARG CG C 13 27.279 0.15 . 1 . . . . 21 ARG CG . 6985 1 213 . 1 1 21 21 ARG CD C 13 43.388 0.15 . 1 . . . . 21 ARG CD . 6985 1 214 . 1 1 21 21 ARG N N 15 121.487 0.05 . 1 . . . . 21 ARG N . 6985 1 215 . 1 1 22 22 TYR H H 1 8.117 0.01 . 1 . . . . 22 TYR HN . 6985 1 216 . 1 1 22 22 TYR HA H 1 4.458 0.01 . 1 . . . . 22 TYR HA . 6985 1 217 . 1 1 22 22 TYR HB2 H 1 2.871 0.01 . 2 . . . . 22 TYR HB2 . 6985 1 218 . 1 1 22 22 TYR HB3 H 1 3.005 0.01 . 2 . . . . 22 TYR HB3 . 6985 1 219 . 1 1 22 22 TYR HD1 H 1 7.097 0.01 . 3 . . . . 22 TYR QD . 6985 1 220 . 1 1 22 22 TYR HD2 H 1 7.097 0.01 . 3 . . . . 22 TYR QD . 6985 1 221 . 1 1 22 22 TYR CA C 13 58.927 0.15 . 1 . . . . 22 TYR CA . 6985 1 222 . 1 1 22 22 TYR HE1 H 1 6.751 0.01 . 3 . . . . 22 TYR QE . 6985 1 223 . 1 1 22 22 TYR CB C 13 38.784 0.15 . 1 . . . . 22 TYR CB . 6985 1 224 . 1 1 22 22 TYR CD1 C 13 133.209 0.15 . 3 . . . . 22 TYR CD1 . 6985 1 225 . 1 1 22 22 TYR CE1 C 13 118.241 0.15 . 3 . . . . 22 TYR CE1 . 6985 1 226 . 1 1 22 22 TYR N N 15 119.608 0.05 . 1 . . . . 22 TYR N . 6985 1 227 . 1 1 24 24 THR HA H 1 3.854 0.01 . 1 . . . . 24 THR HA . 6985 1 228 . 1 1 24 24 THR HB H 1 4.215 0.01 . 1 . . . . 24 THR HB . 6985 1 229 . 1 1 24 24 THR HG21 H 1 1.217 0.01 . 1 . . . . 24 THR HG2 . 6985 1 230 . 1 1 24 24 THR HG22 H 1 1.217 0.01 . 1 . . . . 24 THR HG2 . 6985 1 231 . 1 1 24 24 THR HG23 H 1 1.217 0.01 . 1 . . . . 24 THR HG2 . 6985 1 232 . 1 1 24 24 THR C C 13 175.900 0.15 . 1 . . . . 24 THR C . 6985 1 233 . 1 1 24 24 THR CA C 13 66.052 0.15 . 1 . . . . 24 THR CA . 6985 1 234 . 1 1 24 24 THR CB C 13 68.772 0.15 . 1 . . . . 24 THR CB . 6985 1 235 . 1 1 24 24 THR CG2 C 13 22.085 0.15 . 1 . . . . 24 THR CG2 . 6985 1 236 . 1 1 25 25 GLU H H 1 8.623 0.01 . 1 . . . . 25 GLU HN . 6985 1 237 . 1 1 25 25 GLU HA H 1 4.045 0.01 . 1 . . . . 25 GLU HA . 6985 1 238 . 1 1 25 25 GLU HB2 H 1 1.988 0.01 . 2 . . . . 25 GLU HB2 . 6985 1 239 . 1 1 25 25 GLU HB3 H 1 2.032 0.01 . 2 . . . . 25 GLU HB3 . 6985 1 240 . 1 1 25 25 GLU HG2 H 1 2.328 0.01 . 1 . . . . 25 GLU QG . 6985 1 241 . 1 1 25 25 GLU HG3 H 1 2.328 0.01 . 1 . . . . 25 GLU QG . 6985 1 242 . 1 1 25 25 GLU C C 13 178.256 0.15 . 1 . . . . 25 GLU C . 6985 1 243 . 1 1 25 25 GLU CA C 13 59.235 0.15 . 1 . . . . 25 GLU CA . 6985 1 244 . 1 1 25 25 GLU CB C 13 29.370 0.15 . 1 . . . . 25 GLU CB . 6985 1 245 . 1 1 25 25 GLU CG C 13 36.555 0.15 . 1 . . . . 25 GLU CG . 6985 1 246 . 1 1 25 25 GLU N N 15 121.684 0.05 . 1 . . . . 25 GLU N . 6985 1 247 . 1 1 26 26 SER H H 1 7.863 0.01 . 1 . . . . 26 SER HN . 6985 1 248 . 1 1 26 26 SER HA H 1 4.249 0.01 . 1 . . . . 26 SER HA . 6985 1 249 . 1 1 26 26 SER HB2 H 1 3.858 0.01 . 2 . . . . 26 SER HB2 . 6985 1 250 . 1 1 26 26 SER HB3 H 1 3.947 0.01 . 2 . . . . 26 SER HB3 . 6985 1 251 . 1 1 26 26 SER C C 13 176.926 0.15 . 1 . . . . 26 SER C . 6985 1 252 . 1 1 26 26 SER CA C 13 60.927 0.15 . 1 . . . . 26 SER CA . 6985 1 253 . 1 1 26 26 SER CB C 13 62.914 0.15 . 1 . . . . 26 SER CB . 6985 1 254 . 1 1 26 26 SER N N 15 114.308 0.05 . 1 . . . . 26 SER N . 6985 1 255 . 1 1 27 27 LEU H H 1 7.630 0.01 . 1 . . . . 27 LEU HN . 6985 1 256 . 1 1 27 27 LEU HA H 1 4.014 0.01 . 1 . . . . 27 LEU HA . 6985 1 257 . 1 1 27 27 LEU HB2 H 1 1.748 0.01 . 1 . . . . 27 LEU HB2 . 6985 1 258 . 1 1 27 27 LEU HB3 H 1 1.210 0.01 . 1 . . . . 27 LEU HB3 . 6985 1 259 . 1 1 27 27 LEU HG H 1 1.498 0.01 . 1 . . . . 27 LEU HG . 6985 1 260 . 1 1 27 27 LEU HD11 H 1 0.614 0.01 . 1 . . . . 27 LEU HD1 . 6985 1 261 . 1 1 27 27 LEU HD12 H 1 0.614 0.01 . 1 . . . . 27 LEU HD1 . 6985 1 262 . 1 1 27 27 LEU HD13 H 1 0.614 0.01 . 1 . . . . 27 LEU HD1 . 6985 1 263 . 1 1 27 27 LEU HD21 H 1 0.276 0.01 . 1 . . . . 27 LEU HD2 . 6985 1 264 . 1 1 27 27 LEU HD22 H 1 0.276 0.01 . 1 . . . . 27 LEU HD2 . 6985 1 265 . 1 1 27 27 LEU HD23 H 1 0.276 0.01 . 1 . . . . 27 LEU HD2 . 6985 1 266 . 1 1 27 27 LEU C C 13 178.553 0.15 . 1 . . . . 27 LEU C . 6985 1 267 . 1 1 27 27 LEU CA C 13 57.587 0.15 . 1 . . . . 27 LEU CA . 6985 1 268 . 1 1 27 27 LEU CB C 13 41.970 0.15 . 1 . . . . 27 LEU CB . 6985 1 269 . 1 1 27 27 LEU CG C 13 26.818 0.15 . 1 . . . . 27 LEU CG . 6985 1 270 . 1 1 27 27 LEU CD1 C 13 26.575 0.15 . 1 . . . . 27 LEU CD1 . 6985 1 271 . 1 1 27 27 LEU CD2 C 13 21.989 0.15 . 1 . . . . 27 LEU CD2 . 6985 1 272 . 1 1 27 27 LEU N N 15 122.195 0.05 . 1 . . . . 27 LEU N . 6985 1 273 . 1 1 28 28 GLN H H 1 7.839 0.01 . 1 . . . . 28 GLN HN . 6985 1 274 . 1 1 28 28 GLN HA H 1 3.854 0.01 . 1 . . . . 28 GLN HA . 6985 1 275 . 1 1 28 28 GLN HB2 H 1 2.078 0.01 . 1 . . . . 28 GLN QB . 6985 1 276 . 1 1 28 28 GLN HB3 H 1 2.078 0.01 . 1 . . . . 28 GLN QB . 6985 1 277 . 1 1 28 28 GLN HG2 H 1 2.426 0.01 . 1 . . . . 28 GLN QG . 6985 1 278 . 1 1 28 28 GLN HG3 H 1 2.426 0.01 . 1 . . . . 28 GLN QG . 6985 1 279 . 1 1 28 28 GLN HE21 H 1 7.333 0.01 . 2 . . . . 28 GLN HE21 . 6985 1 280 . 1 1 28 28 GLN HE22 H 1 6.895 0.01 . 2 . . . . 28 GLN HE22 . 6985 1 281 . 1 1 28 28 GLN C C 13 177.288 0.15 . 1 . . . . 28 GLN C . 6985 1 282 . 1 1 28 28 GLN CA C 13 57.981 0.15 . 1 . . . . 28 GLN CA . 6985 1 283 . 1 1 28 28 GLN CB C 13 28.076 0.15 . 1 . . . . 28 GLN CB . 6985 1 284 . 1 1 28 28 GLN CG C 13 33.600 0.15 . 1 . . . . 28 GLN CG . 6985 1 285 . 1 1 28 28 GLN N N 15 113.603 0.05 . 1 . . . . 28 GLN N . 6985 1 286 . 1 1 28 28 GLN NE2 N 15 110.815 0.05 . 1 . . . . 28 GLN NE2 . 6985 1 287 . 1 1 29 29 ASN H H 1 7.451 0.01 . 1 . . . . 29 ASN HN . 6985 1 288 . 1 1 29 29 ASN HA H 1 4.726 0.01 . 1 . . . . 29 ASN HA . 6985 1 289 . 1 1 29 29 ASN HB2 H 1 2.695 0.01 . 1 . . . . 29 ASN HB2 . 6985 1 290 . 1 1 29 29 ASN HB3 H 1 2.944 0.01 . 1 . . . . 29 ASN HB3 . 6985 1 291 . 1 1 29 29 ASN HD21 H 1 7.542 0.01 . 2 . . . . 29 ASN HD21 . 6985 1 292 . 1 1 29 29 ASN HD22 H 1 6.915 0.01 . 2 . . . . 29 ASN HD22 . 6985 1 293 . 1 1 29 29 ASN C C 13 175.504 0.15 . 1 . . . . 29 ASN C . 6985 1 294 . 1 1 29 29 ASN CA C 13 53.258 0.15 . 1 . . . . 29 ASN CA . 6985 1 295 . 1 1 29 29 ASN CB C 13 39.375 0.15 . 1 . . . . 29 ASN CB . 6985 1 296 . 1 1 29 29 ASN N N 15 115.487 0.05 . 1 . . . . 29 ASN N . 6985 1 297 . 1 1 29 29 ASN ND2 N 15 112.924 0.05 . 1 . . . . 29 ASN ND2 . 6985 1 298 . 1 1 30 30 MET H H 1 7.303 0.01 . 1 . . . . 30 MET HN . 6985 1 299 . 1 1 30 30 MET HA H 1 4.360 0.01 . 1 . . . . 30 MET HA . 6985 1 300 . 1 1 30 30 MET HB2 H 1 2.071 0.01 . 1 . . . . 30 MET QB . 6985 1 301 . 1 1 30 30 MET HB3 H 1 2.071 0.01 . 1 . . . . 30 MET QB . 6985 1 302 . 1 1 30 30 MET HG2 H 1 2.490 0.01 . 2 . . . . 30 MET HG2 . 6985 1 303 . 1 1 30 30 MET HG3 H 1 2.675 0.01 . 2 . . . . 30 MET HG3 . 6985 1 304 . 1 1 30 30 MET HE1 H 1 1.687 0.01 . 1 . . . . 30 MET HE . 6985 1 305 . 1 1 30 30 MET HE2 H 1 1.687 0.01 . 1 . . . . 30 MET HE . 6985 1 306 . 1 1 30 30 MET HE3 H 1 1.687 0.01 . 1 . . . . 30 MET HE . 6985 1 307 . 1 1 30 30 MET C C 13 175.891 0.15 . 1 . . . . 30 MET C . 6985 1 308 . 1 1 30 30 MET CA C 13 56.467 0.15 . 1 . . . . 30 MET CA . 6985 1 309 . 1 1 30 30 MET CB C 13 34.662 0.15 . 1 . . . . 30 MET CB . 6985 1 310 . 1 1 30 30 MET CG C 13 32.877 0.15 . 1 . . . . 30 MET CG . 6985 1 311 . 1 1 30 30 MET CE C 13 17.156 0.15 . 1 . . . . 30 MET CE . 6985 1 312 . 1 1 30 30 MET N N 15 120.776 0.05 . 1 . . . . 30 MET N . 6985 1 313 . 1 1 31 31 SER H H 1 8.807 0.01 . 1 . . . . 31 SER HN . 6985 1 314 . 1 1 31 31 SER HA H 1 4.522 0.01 . 1 . . . . 31 SER HA . 6985 1 315 . 1 1 31 31 SER HB2 H 1 4.016 0.01 . 1 . . . . 31 SER QB . 6985 1 316 . 1 1 31 31 SER HB3 H 1 4.016 0.01 . 1 . . . . 31 SER QB . 6985 1 317 . 1 1 31 31 SER CA C 13 57.180 0.15 . 1 . . . . 31 SER CA . 6985 1 318 . 1 1 31 31 SER CB C 13 63.033 0.15 . 1 . . . . 31 SER CB . 6985 1 319 . 1 1 31 31 SER N N 15 116.929 0.05 . 1 . . . . 31 SER N . 6985 1 320 . 1 1 32 32 LYS HA H 1 3.807 0.01 . 1 . . . . 32 LYS HA . 6985 1 321 . 1 1 32 32 LYS HB2 H 1 1.834 0.01 . 2 . . . . 32 LYS HB2 . 6985 1 322 . 1 1 32 32 LYS HB3 H 1 1.901 0.01 . 2 . . . . 32 LYS HB3 . 6985 1 323 . 1 1 32 32 LYS HG2 H 1 1.333 0.01 . 1 . . . . 32 LYS QG . 6985 1 324 . 1 1 32 32 LYS HG3 H 1 1.333 0.01 . 1 . . . . 32 LYS QG . 6985 1 325 . 1 1 32 32 LYS HD2 H 1 1.725 0.01 . 1 . . . . 32 LYS QD . 6985 1 326 . 1 1 32 32 LYS HD3 H 1 1.725 0.01 . 1 . . . . 32 LYS QD . 6985 1 327 . 1 1 32 32 LYS HE2 H 1 2.996 0.01 . 1 . . . . 32 LYS QE . 6985 1 328 . 1 1 32 32 LYS HE3 H 1 2.996 0.01 . 1 . . . . 32 LYS QE . 6985 1 329 . 1 1 32 32 LYS C C 13 177.432 0.15 . 1 . . . . 32 LYS C . 6985 1 330 . 1 1 32 32 LYS CA C 13 60.812 0.15 . 1 . . . . 32 LYS CA . 6985 1 331 . 1 1 32 32 LYS CB C 13 32.210 0.15 . 1 . . . . 32 LYS CB . 6985 1 332 . 1 1 32 32 LYS CG C 13 25.591 0.15 . 1 . . . . 32 LYS CG . 6985 1 333 . 1 1 32 32 LYS CD C 13 29.550 0.15 . 1 . . . . 32 LYS CD . 6985 1 334 . 1 1 32 32 LYS CE C 13 42.396 0.15 . 1 . . . . 32 LYS CE . 6985 1 335 . 1 1 33 33 GLN H H 1 8.381 0.01 . 1 . . . . 33 GLN HN . 6985 1 336 . 1 1 33 33 GLN HA H 1 3.926 0.01 . 1 . . . . 33 GLN HA . 6985 1 337 . 1 1 33 33 GLN HB2 H 1 2.030 0.01 . 2 . . . . 33 GLN HB2 . 6985 1 338 . 1 1 33 33 GLN HB3 H 1 2.068 0.01 . 2 . . . . 33 GLN HB3 . 6985 1 339 . 1 1 33 33 GLN HG2 H 1 2.459 0.01 . 2 . . . . 33 GLN HG2 . 6985 1 340 . 1 1 33 33 GLN HG3 H 1 2.508 0.01 . 2 . . . . 33 GLN HG3 . 6985 1 341 . 1 1 33 33 GLN HE21 H 1 7.555 0.01 . 2 . . . . 33 GLN HE21 . 6985 1 342 . 1 1 33 33 GLN HE22 H 1 7.070 0.01 . 2 . . . . 33 GLN HE22 . 6985 1 343 . 1 1 33 33 GLN C C 13 179.062 0.15 . 1 . . . . 33 GLN C . 6985 1 344 . 1 1 33 33 GLN CA C 13 59.457 0.15 . 1 . . . . 33 GLN CA . 6985 1 345 . 1 1 33 33 GLN CB C 13 28.084 0.15 . 1 . . . . 33 GLN CB . 6985 1 346 . 1 1 33 33 GLN CG C 13 34.143 0.15 . 1 . . . . 33 GLN CG . 6985 1 347 . 1 1 33 33 GLN N N 15 114.842 0.05 . 1 . . . . 33 GLN N . 6985 1 348 . 1 1 33 33 GLN NE2 N 15 112.546 0.05 . 1 . . . . 33 GLN NE2 . 6985 1 349 . 1 1 34 34 GLU H H 1 7.700 0.01 . 1 . . . . 34 GLU HN . 6985 1 350 . 1 1 34 34 GLU HA H 1 3.979 0.01 . 1 . . . . 34 GLU HA . 6985 1 351 . 1 1 34 34 GLU HB2 H 1 2.105 0.01 . 2 . . . . 34 GLU HB2 . 6985 1 352 . 1 1 34 34 GLU HB3 H 1 2.244 0.01 . 2 . . . . 34 GLU HB3 . 6985 1 353 . 1 1 34 34 GLU HG2 H 1 2.330 0.01 . 1 . . . . 34 GLU QG . 6985 1 354 . 1 1 34 34 GLU HG3 H 1 2.330 0.01 . 1 . . . . 34 GLU QG . 6985 1 355 . 1 1 34 34 GLU C C 13 178.416 0.15 . 1 . . . . 34 GLU C . 6985 1 356 . 1 1 34 34 GLU CA C 13 59.373 0.15 . 1 . . . . 34 GLU CA . 6985 1 357 . 1 1 34 34 GLU CB C 13 30.025 0.15 . 1 . . . . 34 GLU CB . 6985 1 358 . 1 1 34 34 GLU CG C 13 37.272 0.15 . 1 . . . . 34 GLU CG . 6985 1 359 . 1 1 34 34 GLU N N 15 120.824 0.05 . 1 . . . . 34 GLU N . 6985 1 360 . 1 1 35 35 LEU H H 1 8.300 0.01 . 1 . . . . 35 LEU HN . 6985 1 361 . 1 1 35 35 LEU HA H 1 3.948 0.01 . 1 . . . . 35 LEU HA . 6985 1 362 . 1 1 35 35 LEU HB2 H 1 1.451 0.01 . 2 . . . . 35 LEU HB2 . 6985 1 363 . 1 1 35 35 LEU HB3 H 1 1.805 0.01 . 2 . . . . 35 LEU HB3 . 6985 1 364 . 1 1 35 35 LEU HG H 1 1.551 0.01 . 1 . . . . 35 LEU HG . 6985 1 365 . 1 1 35 35 LEU HD11 H 1 0.723 0.01 . 1 . . . . 35 LEU HD1 . 6985 1 366 . 1 1 35 35 LEU HD12 H 1 0.723 0.01 . 1 . . . . 35 LEU HD1 . 6985 1 367 . 1 1 35 35 LEU HD13 H 1 0.723 0.01 . 1 . . . . 35 LEU HD1 . 6985 1 368 . 1 1 35 35 LEU HD21 H 1 0.710 0.01 . 1 . . . . 35 LEU HD2 . 6985 1 369 . 1 1 35 35 LEU HD22 H 1 0.710 0.01 . 1 . . . . 35 LEU HD2 . 6985 1 370 . 1 1 35 35 LEU HD23 H 1 0.710 0.01 . 1 . . . . 35 LEU HD2 . 6985 1 371 . 1 1 35 35 LEU C C 13 178.777 0.15 . 1 . . . . 35 LEU C . 6985 1 372 . 1 1 35 35 LEU CA C 13 58.233 0.15 . 1 . . . . 35 LEU CA . 6985 1 373 . 1 1 35 35 LEU CB C 13 42.690 0.15 . 1 . . . . 35 LEU CB . 6985 1 374 . 1 1 35 35 LEU CG C 13 27.449 0.15 . 1 . . . . 35 LEU CG . 6985 1 375 . 1 1 35 35 LEU CD1 C 13 25.470 0.15 . 1 . . . . 35 LEU CD1 . 6985 1 376 . 1 1 35 35 LEU CD2 C 13 25.974 0.15 . 1 . . . . 35 LEU CD2 . 6985 1 377 . 1 1 35 35 LEU N N 15 121.251 0.05 . 1 . . . . 35 LEU N . 6985 1 378 . 1 1 36 36 ILE H H 1 8.319 0.01 . 1 . . . . 36 ILE HN . 6985 1 379 . 1 1 36 36 ILE HA H 1 3.507 0.01 . 1 . . . . 36 ILE HA . 6985 1 380 . 1 1 36 36 ILE HB H 1 1.832 0.01 . 1 . . . . 36 ILE HB . 6985 1 381 . 1 1 36 36 ILE HG12 H 1 1.887 0.01 . 2 . . . . 36 ILE HG11 . 6985 1 382 . 1 1 36 36 ILE HG13 H 1 0.692 0.01 . 2 . . . . 36 ILE HG12 . 6985 1 383 . 1 1 36 36 ILE HG21 H 1 0.885 0.01 . 1 . . . . 36 ILE HG2 . 6985 1 384 . 1 1 36 36 ILE HG22 H 1 0.885 0.01 . 1 . . . . 36 ILE HG2 . 6985 1 385 . 1 1 36 36 ILE HG23 H 1 0.885 0.01 . 1 . . . . 36 ILE HG2 . 6985 1 386 . 1 1 36 36 ILE HD11 H 1 0.684 0.01 . 1 . . . . 36 ILE HD1 . 6985 1 387 . 1 1 36 36 ILE HD12 H 1 0.684 0.01 . 1 . . . . 36 ILE HD1 . 6985 1 388 . 1 1 36 36 ILE HD13 H 1 0.684 0.01 . 1 . . . . 36 ILE HD1 . 6985 1 389 . 1 1 36 36 ILE C C 13 177.050 0.15 . 1 . . . . 36 ILE C . 6985 1 390 . 1 1 36 36 ILE CA C 13 66.693 0.15 . 1 . . . . 36 ILE CA . 6985 1 391 . 1 1 36 36 ILE CB C 13 38.086 0.15 . 1 . . . . 36 ILE CB . 6985 1 392 . 1 1 36 36 ILE CG1 C 13 31.080 0.15 . 1 . . . . 36 ILE CG1 . 6985 1 393 . 1 1 36 36 ILE CG2 C 13 16.757 0.15 . 1 . . . . 36 ILE CG2 . 6985 1 394 . 1 1 36 36 ILE CD1 C 13 13.868 0.15 . 1 . . . . 36 ILE CD1 . 6985 1 395 . 1 1 36 36 ILE N N 15 119.496 0.05 . 1 . . . . 36 ILE N . 6985 1 396 . 1 1 37 37 LYS H H 1 7.444 0.01 . 1 . . . . 37 LYS HN . 6985 1 397 . 1 1 37 37 LYS HA H 1 4.010 0.01 . 1 . . . . 37 LYS HA . 6985 1 398 . 1 1 37 37 LYS HB2 H 1 2.072 0.01 . 1 . . . . 37 LYS HB2 . 6985 1 399 . 1 1 37 37 LYS HB3 H 1 1.996 0.01 . 1 . . . . 37 LYS HB3 . 6985 1 400 . 1 1 37 37 LYS HG2 H 1 1.449 0.01 . 2 . . . . 37 LYS HG2 . 6985 1 401 . 1 1 37 37 LYS HG3 H 1 1.621 0.01 . 2 . . . . 37 LYS HG3 . 6985 1 402 . 1 1 37 37 LYS HD2 H 1 1.719 0.01 . 1 . . . . 37 LYS QD . 6985 1 403 . 1 1 37 37 LYS HD3 H 1 1.719 0.01 . 1 . . . . 37 LYS QD . 6985 1 404 . 1 1 37 37 LYS HE2 H 1 2.979 0.01 . 1 . . . . 37 LYS QE . 6985 1 405 . 1 1 37 37 LYS HE3 H 1 2.979 0.01 . 1 . . . . 37 LYS QE . 6985 1 406 . 1 1 37 37 LYS C C 13 179.759 0.15 . 1 . . . . 37 LYS C . 6985 1 407 . 1 1 37 37 LYS CA C 13 60.199 0.15 . 1 . . . . 37 LYS CA . 6985 1 408 . 1 1 37 37 LYS CB C 13 32.132 0.15 . 1 . . . . 37 LYS CB . 6985 1 409 . 1 1 37 37 LYS CG C 13 24.871 0.15 . 1 . . . . 37 LYS CG . 6985 1 410 . 1 1 37 37 LYS CD C 13 29.498 0.15 . 1 . . . . 37 LYS CD . 6985 1 411 . 1 1 37 37 LYS CE C 13 42.393 0.15 . 1 . . . . 37 LYS CE . 6985 1 412 . 1 1 37 37 LYS N N 15 118.604 0.05 . 1 . . . . 37 LYS N . 6985 1 413 . 1 1 38 38 GLU H H 1 8.290 0.01 . 1 . . . . 38 GLU HN . 6985 1 414 . 1 1 38 38 GLU HA H 1 4.231 0.01 . 1 . . . . 38 GLU HA . 6985 1 415 . 1 1 38 38 GLU HB2 H 1 2.323 0.01 . 1 . . . . 38 GLU HB2 . 6985 1 416 . 1 1 38 38 GLU HB3 H 1 2.051 0.01 . 1 . . . . 38 GLU HB3 . 6985 1 417 . 1 1 38 38 GLU HG2 H 1 2.283 0.01 . 1 . . . . 38 GLU QG . 6985 1 418 . 1 1 38 38 GLU HG3 H 1 2.283 0.01 . 1 . . . . 38 GLU QG . 6985 1 419 . 1 1 38 38 GLU C C 13 179.448 0.15 . 1 . . . . 38 GLU C . 6985 1 420 . 1 1 38 38 GLU CA C 13 58.959 0.15 . 1 . . . . 38 GLU CA . 6985 1 421 . 1 1 38 38 GLU CB C 13 28.800 0.15 . 1 . . . . 38 GLU CB . 6985 1 422 . 1 1 38 38 GLU CG C 13 36.033 0.15 . 1 . . . . 38 GLU CG . 6985 1 423 . 1 1 38 38 GLU N N 15 118.236 0.05 . 1 . . . . 38 GLU N . 6985 1 424 . 1 1 39 39 TYR H H 1 9.244 0.01 . 1 . . . . 39 TYR HN . 6985 1 425 . 1 1 39 39 TYR HA H 1 4.014 0.01 . 1 . . . . 39 TYR HA . 6985 1 426 . 1 1 39 39 TYR HB2 H 1 3.531 0.01 . 1 . . . . 39 TYR HB2 . 6985 1 427 . 1 1 39 39 TYR HB3 H 1 3.116 0.01 . 1 . . . . 39 TYR HB3 . 6985 1 428 . 1 1 39 39 TYR HD1 H 1 6.820 0.01 . 3 . . . . 39 TYR QD . 6985 1 429 . 1 1 39 39 TYR HD2 H 1 6.820 0.01 . 3 . . . . 39 TYR QD . 6985 1 430 . 1 1 39 39 TYR HE1 H 1 6.734 0.01 . 3 . . . . 39 TYR QE . 6985 1 431 . 1 1 39 39 TYR C C 13 177.197 0.15 . 1 . . . . 39 TYR C . 6985 1 432 . 1 1 39 39 TYR CA C 13 62.697 0.15 . 1 . . . . 39 TYR CA . 6985 1 433 . 1 1 39 39 TYR CB C 13 39.000 0.15 . 1 . . . . 39 TYR CB . 6985 1 434 . 1 1 39 39 TYR CD1 C 13 132.654 0.15 . 3 . . . . 39 TYR CD1 . 6985 1 435 . 1 1 39 39 TYR CE1 C 13 118.241 0.15 . 3 . . . . 39 TYR CE1 . 6985 1 436 . 1 1 39 39 TYR N N 15 124.185 0.05 . 1 . . . . 39 TYR N . 6985 1 437 . 1 1 40 40 LEU H H 1 8.617 0.01 . 1 . . . . 40 LEU HN . 6985 1 438 . 1 1 40 40 LEU HA H 1 4.199 0.01 . 1 . . . . 40 LEU HA . 6985 1 439 . 1 1 40 40 LEU HB2 H 1 2.099 0.01 . 1 . . . . 40 LEU HB2 . 6985 1 440 . 1 1 40 40 LEU HB3 H 1 1.506 0.01 . 1 . . . . 40 LEU HB3 . 6985 1 441 . 1 1 40 40 LEU HG H 1 2.068 0.01 . 1 . . . . 40 LEU HG . 6985 1 442 . 1 1 40 40 LEU HD11 H 1 0.908 0.01 . 1 . . . . 40 LEU HD1 . 6985 1 443 . 1 1 40 40 LEU HD12 H 1 0.908 0.01 . 1 . . . . 40 LEU HD1 . 6985 1 444 . 1 1 40 40 LEU HD13 H 1 0.908 0.01 . 1 . . . . 40 LEU HD1 . 6985 1 445 . 1 1 40 40 LEU HD21 H 1 0.998 0.01 . 1 . . . . 40 LEU HD2 . 6985 1 446 . 1 1 40 40 LEU HD22 H 1 0.998 0.01 . 1 . . . . 40 LEU HD2 . 6985 1 447 . 1 1 40 40 LEU HD23 H 1 0.998 0.01 . 1 . . . . 40 LEU HD2 . 6985 1 448 . 1 1 40 40 LEU C C 13 180.941 0.15 . 1 . . . . 40 LEU C . 6985 1 449 . 1 1 40 40 LEU CA C 13 57.950 0.15 . 1 . . . . 40 LEU CA . 6985 1 450 . 1 1 40 40 LEU CB C 13 41.759 0.15 . 1 . . . . 40 LEU CB . 6985 1 451 . 1 1 40 40 LEU CG C 13 27.122 0.15 . 1 . . . . 40 LEU CG . 6985 1 452 . 1 1 40 40 LEU CD1 C 13 26.167 0.15 . 1 . . . . 40 LEU CD1 . 6985 1 453 . 1 1 40 40 LEU CD2 C 13 22.981 0.15 . 1 . . . . 40 LEU CD2 . 6985 1 454 . 1 1 40 40 LEU N N 15 118.333 0.05 . 1 . . . . 40 LEU N . 6985 1 455 . 1 1 41 41 GLU H H 1 7.964 0.01 . 1 . . . . 41 GLU HN . 6985 1 456 . 1 1 41 41 GLU HA H 1 4.152 0.01 . 1 . . . . 41 GLU HA . 6985 1 457 . 1 1 41 41 GLU HB2 H 1 2.164 0.01 . 2 . . . . 41 GLU HB2 . 6985 1 458 . 1 1 41 41 GLU HB3 H 1 2.234 0.01 . 2 . . . . 41 GLU HB3 . 6985 1 459 . 1 1 41 41 GLU HG2 H 1 2.396 0.01 . 2 . . . . 41 GLU HG2 . 6985 1 460 . 1 1 41 41 GLU HG3 H 1 2.477 0.01 . 2 . . . . 41 GLU HG3 . 6985 1 461 . 1 1 41 41 GLU C C 13 179.538 0.15 . 1 . . . . 41 GLU C . 6985 1 462 . 1 1 41 41 GLU CA C 13 59.159 0.15 . 1 . . . . 41 GLU CA . 6985 1 463 . 1 1 41 41 GLU CB C 13 29.232 0.15 . 1 . . . . 41 GLU CB . 6985 1 464 . 1 1 41 41 GLU CG C 13 35.888 0.15 . 1 . . . . 41 GLU CG . 6985 1 465 . 1 1 41 41 GLU N N 15 119.450 0.05 . 1 . . . . 41 GLU N . 6985 1 466 . 1 1 42 42 LEU H H 1 8.240 0.01 . 1 . . . . 42 LEU HN . 6985 1 467 . 1 1 42 42 LEU HA H 1 3.986 0.01 . 1 . . . . 42 LEU HA . 6985 1 468 . 1 1 42 42 LEU HB2 H 1 1.642 0.01 . 1 . . . . 42 LEU HB2 . 6985 1 469 . 1 1 42 42 LEU HB3 H 1 1.527 0.01 . 1 . . . . 42 LEU HB3 . 6985 1 470 . 1 1 42 42 LEU HG H 1 1.377 0.01 . 1 . . . . 42 LEU HG . 6985 1 471 . 1 1 42 42 LEU HD11 H 1 0.547 0.01 . 1 . . . . 42 LEU HD1 . 6985 1 472 . 1 1 42 42 LEU HD12 H 1 0.547 0.01 . 1 . . . . 42 LEU HD1 . 6985 1 473 . 1 1 42 42 LEU HD13 H 1 0.547 0.01 . 1 . . . . 42 LEU HD1 . 6985 1 474 . 1 1 42 42 LEU HD21 H 1 0.364 0.01 . 1 . . . . 42 LEU HD2 . 6985 1 475 . 1 1 42 42 LEU HD22 H 1 0.364 0.01 . 1 . . . . 42 LEU HD2 . 6985 1 476 . 1 1 42 42 LEU HD23 H 1 0.364 0.01 . 1 . . . . 42 LEU HD2 . 6985 1 477 . 1 1 42 42 LEU C C 13 179.151 0.15 . 1 . . . . 42 LEU C . 6985 1 478 . 1 1 42 42 LEU CA C 13 58.182 0.15 . 1 . . . . 42 LEU CA . 6985 1 479 . 1 1 42 42 LEU CB C 13 40.919 0.15 . 1 . . . . 42 LEU CB . 6985 1 480 . 1 1 42 42 LEU CG C 13 26.844 0.15 . 1 . . . . 42 LEU CG . 6985 1 481 . 1 1 42 42 LEU CD1 C 13 24.665 0.15 . 1 . . . . 42 LEU CD1 . 6985 1 482 . 1 1 42 42 LEU CD2 C 13 24.956 0.15 . 1 . . . . 42 LEU CD2 . 6985 1 483 . 1 1 42 42 LEU N N 15 123.584 0.05 . 1 . . . . 42 LEU N . 6985 1 484 . 1 1 43 43 GLU H H 1 8.555 0.01 . 1 . . . . 43 GLU HN . 6985 1 485 . 1 1 43 43 GLU HA H 1 3.693 0.01 . 1 . . . . 43 GLU HA . 6985 1 486 . 1 1 43 43 GLU HB2 H 1 2.023 0.01 . 2 . . . . 43 GLU HB2 . 6985 1 487 . 1 1 43 43 GLU HB3 H 1 2.111 0.01 . 2 . . . . 43 GLU HB3 . 6985 1 488 . 1 1 43 43 GLU HG2 H 1 2.060 0.01 . 2 . . . . 43 GLU HG2 . 6985 1 489 . 1 1 43 43 GLU HG3 H 1 2.358 0.01 . 2 . . . . 43 GLU HG3 . 6985 1 490 . 1 1 43 43 GLU C C 13 179.312 0.15 . 1 . . . . 43 GLU C . 6985 1 491 . 1 1 43 43 GLU CA C 13 60.583 0.15 . 1 . . . . 43 GLU CA . 6985 1 492 . 1 1 43 43 GLU CB C 13 29.581 0.15 . 1 . . . . 43 GLU CB . 6985 1 493 . 1 1 43 43 GLU CG C 13 37.476 0.15 . 1 . . . . 43 GLU CG . 6985 1 494 . 1 1 43 43 GLU N N 15 119.867 0.05 . 1 . . . . 43 GLU N . 6985 1 495 . 1 1 44 44 LYS H H 1 7.696 0.01 . 1 . . . . 44 LYS HN . 6985 1 496 . 1 1 44 44 LYS HA H 1 4.058 0.01 . 1 . . . . 44 LYS HA . 6985 1 497 . 1 1 44 44 LYS HB2 H 1 2.044 0.01 . 1 . . . . 44 LYS HB2 . 6985 1 498 . 1 1 44 44 LYS HB3 H 1 1.932 0.01 . 1 . . . . 44 LYS HB3 . 6985 1 499 . 1 1 44 44 LYS HG2 H 1 1.443 0.01 . 2 . . . . 44 LYS HG2 . 6985 1 500 . 1 1 44 44 LYS HG3 H 1 1.703 0.01 . 2 . . . . 44 LYS HG3 . 6985 1 501 . 1 1 44 44 LYS HD2 H 1 1.720 0.01 . 1 . . . . 44 LYS QD . 6985 1 502 . 1 1 44 44 LYS HD3 H 1 1.720 0.01 . 1 . . . . 44 LYS QD . 6985 1 503 . 1 1 44 44 LYS HE2 H 1 2.927 0.01 . 1 . . . . 44 LYS QE . 6985 1 504 . 1 1 44 44 LYS HE3 H 1 2.927 0.01 . 1 . . . . 44 LYS QE . 6985 1 505 . 1 1 44 44 LYS C C 13 179.576 0.15 . 1 . . . . 44 LYS C . 6985 1 506 . 1 1 44 44 LYS CA C 13 59.591 0.15 . 1 . . . . 44 LYS CA . 6985 1 507 . 1 1 44 44 LYS CB C 13 32.180 0.15 . 1 . . . . 44 LYS CB . 6985 1 508 . 1 1 44 44 LYS CG C 13 25.194 0.15 . 1 . . . . 44 LYS CG . 6985 1 509 . 1 1 44 44 LYS CD C 13 29.498 0.15 . 1 . . . . 44 LYS CD . 6985 1 510 . 1 1 44 44 LYS CE C 13 42.099 0.15 . 1 . . . . 44 LYS CE . 6985 1 511 . 1 1 44 44 LYS N N 15 119.589 0.05 . 1 . . . . 44 LYS N . 6985 1 512 . 1 1 45 45 CYS H H 1 7.898 0.01 . 1 . . . . 45 CYS HN . 6985 1 513 . 1 1 45 45 CYS HA H 1 4.055 0.01 . 1 . . . . 45 CYS HA . 6985 1 514 . 1 1 45 45 CYS HB2 H 1 3.204 0.01 . 1 . . . . 45 CYS HB2 . 6985 1 515 . 1 1 45 45 CYS HB3 H 1 2.940 0.01 . 1 . . . . 45 CYS HB3 . 6985 1 516 . 1 1 45 45 CYS C C 13 177.245 0.15 . 1 . . . . 45 CYS C . 6985 1 517 . 1 1 45 45 CYS CA C 13 62.908 0.15 . 1 . . . . 45 CYS CA . 6985 1 518 . 1 1 45 45 CYS CB C 13 26.402 0.15 . 1 . . . . 45 CYS CB . 6985 1 519 . 1 1 45 45 CYS N N 15 119.876 0.05 . 1 . . . . 45 CYS N . 6985 1 520 . 1 1 46 46 LEU H H 1 8.423 0.01 . 1 . . . . 46 LEU HN . 6985 1 521 . 1 1 46 46 LEU HA H 1 3.923 0.01 . 1 . . . . 46 LEU HA . 6985 1 522 . 1 1 46 46 LEU HB2 H 1 1.440 0.01 . 1 . . . . 46 LEU HB2 . 6985 1 523 . 1 1 46 46 LEU HB3 H 1 1.856 0.01 . 1 . . . . 46 LEU HB3 . 6985 1 524 . 1 1 46 46 LEU HG H 1 1.574 0.01 . 1 . . . . 46 LEU HG . 6985 1 525 . 1 1 46 46 LEU HD11 H 1 0.804 0.01 . 1 . . . . 46 LEU HD1 . 6985 1 526 . 1 1 46 46 LEU HD12 H 1 0.804 0.01 . 1 . . . . 46 LEU HD1 . 6985 1 527 . 1 1 46 46 LEU HD13 H 1 0.804 0.01 . 1 . . . . 46 LEU HD1 . 6985 1 528 . 1 1 46 46 LEU HD21 H 1 0.794 0.01 . 1 . . . . 46 LEU HD2 . 6985 1 529 . 1 1 46 46 LEU HD22 H 1 0.794 0.01 . 1 . . . . 46 LEU HD2 . 6985 1 530 . 1 1 46 46 LEU HD23 H 1 0.794 0.01 . 1 . . . . 46 LEU HD2 . 6985 1 531 . 1 1 46 46 LEU C C 13 178.247 0.15 . 1 . . . . 46 LEU C . 6985 1 532 . 1 1 46 46 LEU CA C 13 58.514 0.15 . 1 . . . . 46 LEU CA . 6985 1 533 . 1 1 46 46 LEU CB C 13 41.294 0.15 . 1 . . . . 46 LEU CB . 6985 1 534 . 1 1 46 46 LEU CG C 13 27.296 0.15 . 1 . . . . 46 LEU CG . 6985 1 535 . 1 1 46 46 LEU CD1 C 13 24.715 0.15 . 1 . . . . 46 LEU CD1 . 6985 1 536 . 1 1 46 46 LEU CD2 C 13 25.849 0.15 . 1 . . . . 46 LEU CD2 . 6985 1 537 . 1 1 46 46 LEU N N 15 121.698 0.05 . 1 . . . . 46 LEU N . 6985 1 538 . 1 1 47 47 SER H H 1 8.147 0.01 . 1 . . . . 47 SER HN . 6985 1 539 . 1 1 47 47 SER HA H 1 4.262 0.01 . 1 . . . . 47 SER HA . 6985 1 540 . 1 1 47 47 SER HB2 H 1 4.006 0.01 . 1 . . . . 47 SER QB . 6985 1 541 . 1 1 47 47 SER HB3 H 1 4.006 0.01 . 1 . . . . 47 SER QB . 6985 1 542 . 1 1 47 47 SER C C 13 177.146 0.15 . 1 . . . . 47 SER C . 6985 1 543 . 1 1 47 47 SER CA C 13 61.891 0.15 . 1 . . . . 47 SER CA . 6985 1 544 . 1 1 47 47 SER CB C 13 62.813 0.15 . 1 . . . . 47 SER CB . 6985 1 545 . 1 1 47 47 SER N N 15 114.579 0.05 . 1 . . . . 47 SER N . 6985 1 546 . 1 1 48 48 ARG H H 1 7.755 0.01 . 1 . . . . 48 ARG HN . 6985 1 547 . 1 1 48 48 ARG HA H 1 4.205 0.01 . 1 . . . . 48 ARG HA . 6985 1 548 . 1 1 48 48 ARG HB2 H 1 1.985 0.01 . 1 . . . . 48 ARG QB . 6985 1 549 . 1 1 48 48 ARG HB3 H 1 1.985 0.01 . 1 . . . . 48 ARG QB . 6985 1 550 . 1 1 48 48 ARG HG2 H 1 1.657 0.01 . 2 . . . . 48 ARG HG2 . 6985 1 551 . 1 1 48 48 ARG HG3 H 1 1.844 0.01 . 2 . . . . 48 ARG HG3 . 6985 1 552 . 1 1 48 48 ARG HD2 H 1 3.229 0.01 . 1 . . . . 48 ARG QD . 6985 1 553 . 1 1 48 48 ARG HD3 H 1 3.229 0.01 . 1 . . . . 48 ARG QD . 6985 1 554 . 1 1 48 48 ARG C C 13 179.506 0.15 . 1 . . . . 48 ARG C . 6985 1 555 . 1 1 48 48 ARG CA C 13 59.374 0.15 . 1 . . . . 48 ARG CA . 6985 1 556 . 1 1 48 48 ARG CB C 13 30.168 0.15 . 1 . . . . 48 ARG CB . 6985 1 557 . 1 1 48 48 ARG CG C 13 27.662 0.15 . 1 . . . . 48 ARG CG . 6985 1 558 . 1 1 48 48 ARG CD C 13 43.650 0.15 . 1 . . . . 48 ARG CD . 6985 1 559 . 1 1 48 48 ARG N N 15 120.999 0.05 . 1 . . . . 48 ARG N . 6985 1 560 . 1 1 49 49 MET H H 1 8.247 0.01 . 1 . . . . 49 MET HN . 6985 1 561 . 1 1 49 49 MET HA H 1 4.254 0.01 . 1 . . . . 49 MET HA . 6985 1 562 . 1 1 49 49 MET HB2 H 1 1.920 0.01 . 2 . . . . 49 MET HB2 . 6985 1 563 . 1 1 49 49 MET HB3 H 1 2.245 0.01 . 2 . . . . 49 MET HB3 . 6985 1 564 . 1 1 49 49 MET HG2 H 1 2.523 0.01 . 2 . . . . 49 MET HG2 . 6985 1 565 . 1 1 49 49 MET HG3 H 1 2.603 0.01 . 2 . . . . 49 MET HG3 . 6985 1 566 . 1 1 49 49 MET HE1 H 1 2.026 0.01 . 1 . . . . 49 MET HE . 6985 1 567 . 1 1 49 49 MET HE2 H 1 2.026 0.01 . 1 . . . . 49 MET HE . 6985 1 568 . 1 1 49 49 MET HE3 H 1 2.026 0.01 . 1 . . . . 49 MET HE . 6985 1 569 . 1 1 49 49 MET C C 13 178.552 0.15 . 1 . . . . 49 MET C . 6985 1 570 . 1 1 49 49 MET CA C 13 58.109 0.15 . 1 . . . . 49 MET CA . 6985 1 571 . 1 1 49 49 MET CB C 13 32.703 0.15 . 1 . . . . 49 MET CB . 6985 1 572 . 1 1 49 49 MET CG C 13 32.860 0.15 . 1 . . . . 49 MET CG . 6985 1 573 . 1 1 49 49 MET CE C 13 17.553 0.15 . 1 . . . . 49 MET CE . 6985 1 574 . 1 1 49 49 MET N N 15 120.391 0.05 . 1 . . . . 49 MET N . 6985 1 575 . 1 1 50 50 GLU H H 1 8.807 0.01 . 1 . . . . 50 GLU HN . 6985 1 576 . 1 1 50 50 GLU HA H 1 4.028 0.01 . 1 . . . . 50 GLU HA . 6985 1 577 . 1 1 50 50 GLU HB2 H 1 2.113 0.01 . 2 . . . . 50 GLU HB2 . 6985 1 578 . 1 1 50 50 GLU HB3 H 1 2.204 0.01 . 2 . . . . 50 GLU HB3 . 6985 1 579 . 1 1 50 50 GLU HG2 H 1 2.206 0.01 . 2 . . . . 50 GLU HG2 . 6985 1 580 . 1 1 50 50 GLU HG3 H 1 2.367 0.01 . 2 . . . . 50 GLU HG3 . 6985 1 581 . 1 1 50 50 GLU C C 13 178.923 0.15 . 1 . . . . 50 GLU C . 6985 1 582 . 1 1 50 50 GLU CA C 13 59.898 0.15 . 1 . . . . 50 GLU CA . 6985 1 583 . 1 1 50 50 GLU CB C 13 29.682 0.15 . 1 . . . . 50 GLU CB . 6985 1 584 . 1 1 50 50 GLU CG C 13 36.712 0.15 . 1 . . . . 50 GLU CG . 6985 1 585 . 1 1 50 50 GLU N N 15 122.192 0.05 . 1 . . . . 50 GLU N . 6985 1 586 . 1 1 51 51 ASP H H 1 7.842 0.01 . 1 . . . . 51 ASP HN . 6985 1 587 . 1 1 51 51 ASP HA H 1 4.472 0.01 . 1 . . . . 51 ASP HA . 6985 1 588 . 1 1 51 51 ASP HB2 H 1 2.893 0.01 . 1 . . . . 51 ASP HB2 . 6985 1 589 . 1 1 51 51 ASP HB3 H 1 2.774 0.01 . 1 . . . . 51 ASP HB3 . 6985 1 590 . 1 1 51 51 ASP C C 13 178.981 0.15 . 1 . . . . 51 ASP C . 6985 1 591 . 1 1 51 51 ASP CA C 13 57.551 0.15 . 1 . . . . 51 ASP CA . 6985 1 592 . 1 1 51 51 ASP CB C 13 41.076 0.15 . 1 . . . . 51 ASP CB . 6985 1 593 . 1 1 51 51 ASP N N 15 120.075 0.05 . 1 . . . . 51 ASP N . 6985 1 594 . 1 1 52 52 GLU H H 1 8.045 0.01 . 1 . . . . 52 GLU HN . 6985 1 595 . 1 1 52 52 GLU HA H 1 4.117 0.01 . 1 . . . . 52 GLU HA . 6985 1 596 . 1 1 52 52 GLU HB2 H 1 2.024 0.01 . 2 . . . . 52 GLU HB2 . 6985 1 597 . 1 1 52 52 GLU HB3 H 1 2.129 0.01 . 2 . . . . 52 GLU HB3 . 6985 1 598 . 1 1 52 52 GLU HG2 H 1 2.203 0.01 . 2 . . . . 52 GLU HG2 . 6985 1 599 . 1 1 52 52 GLU HG3 H 1 2.283 0.01 . 2 . . . . 52 GLU HG3 . 6985 1 600 . 1 1 52 52 GLU C C 13 178.010 0.15 . 1 . . . . 52 GLU C . 6985 1 601 . 1 1 52 52 GLU CA C 13 59.364 0.15 . 1 . . . . 52 GLU CA . 6985 1 602 . 1 1 52 52 GLU CB C 13 29.300 0.15 . 1 . . . . 52 GLU CB . 6985 1 603 . 1 1 52 52 GLU CG C 13 36.162 0.15 . 1 . . . . 52 GLU CG . 6985 1 604 . 1 1 52 52 GLU N N 15 120.803 0.05 . 1 . . . . 52 GLU N . 6985 1 605 . 1 1 53 53 ASN H H 1 8.686 0.01 . 1 . . . . 53 ASN HN . 6985 1 606 . 1 1 53 53 ASN HA H 1 4.287 0.01 . 1 . . . . 53 ASN HA . 6985 1 607 . 1 1 53 53 ASN HB2 H 1 2.729 0.01 . 1 . . . . 53 ASN HB2 . 6985 1 608 . 1 1 53 53 ASN HB3 H 1 3.241 0.01 . 1 . . . . 53 ASN HB3 . 6985 1 609 . 1 1 53 53 ASN HD21 H 1 7.817 0.01 . 2 . . . . 53 ASN HD21 . 6985 1 610 . 1 1 53 53 ASN HD22 H 1 6.931 0.01 . 2 . . . . 53 ASN HD22 . 6985 1 611 . 1 1 53 53 ASN C C 13 177.399 0.15 . 1 . . . . 53 ASN C . 6985 1 612 . 1 1 53 53 ASN CA C 13 57.298 0.15 . 1 . . . . 53 ASN CA . 6985 1 613 . 1 1 53 53 ASN CB C 13 39.006 0.15 . 1 . . . . 53 ASN CB . 6985 1 614 . 1 1 53 53 ASN N N 15 119.856 0.05 . 1 . . . . 53 ASN N . 6985 1 615 . 1 1 53 53 ASN ND2 N 15 108.110 0.05 . 1 . . . . 53 ASN ND2 . 6985 1 616 . 1 1 54 54 ASN H H 1 8.291 0.01 . 1 . . . . 54 ASN HN . 6985 1 617 . 1 1 54 54 ASN HA H 1 4.407 0.01 . 1 . . . . 54 ASN HA . 6985 1 618 . 1 1 54 54 ASN HB2 H 1 3.004 0.01 . 1 . . . . 54 ASN HB2 . 6985 1 619 . 1 1 54 54 ASN HB3 H 1 2.854 0.01 . 1 . . . . 54 ASN HB3 . 6985 1 620 . 1 1 54 54 ASN HD21 H 1 7.760 0.01 . 2 . . . . 54 ASN HD21 . 6985 1 621 . 1 1 54 54 ASN HD22 H 1 7.002 0.01 . 2 . . . . 54 ASN HD22 . 6985 1 622 . 1 1 54 54 ASN C C 13 177.681 0.15 . 1 . . . . 54 ASN C . 6985 1 623 . 1 1 54 54 ASN CA C 13 56.513 0.15 . 1 . . . . 54 ASN CA . 6985 1 624 . 1 1 54 54 ASN CB C 13 38.367 0.15 . 1 . . . . 54 ASN CB . 6985 1 625 . 1 1 54 54 ASN N N 15 117.428 0.05 . 1 . . . . 54 ASN N . 6985 1 626 . 1 1 54 54 ASN ND2 N 15 113.644 0.05 . 1 . . . . 54 ASN ND2 . 6985 1 627 . 1 1 55 55 ARG H H 1 7.963 0.01 . 1 . . . . 55 ARG HN . 6985 1 628 . 1 1 55 55 ARG HA H 1 4.018 0.01 . 1 . . . . 55 ARG HA . 6985 1 629 . 1 1 55 55 ARG HB2 H 1 1.988 0.01 . 1 . . . . 55 ARG QB . 6985 1 630 . 1 1 55 55 ARG HB3 H 1 1.988 0.01 . 1 . . . . 55 ARG QB . 6985 1 631 . 1 1 55 55 ARG HG2 H 1 1.564 0.01 . 2 . . . . 55 ARG HG2 . 6985 1 632 . 1 1 55 55 ARG HG3 H 1 1.778 0.01 . 2 . . . . 55 ARG HG3 . 6985 1 633 . 1 1 55 55 ARG HD2 H 1 3.231 0.01 . 1 . . . . 55 ARG QD . 6985 1 634 . 1 1 55 55 ARG HD3 H 1 3.231 0.01 . 1 . . . . 55 ARG QD . 6985 1 635 . 1 1 55 55 ARG C C 13 179.346 0.15 . 1 . . . . 55 ARG C . 6985 1 636 . 1 1 55 55 ARG CA C 13 59.848 0.15 . 1 . . . . 55 ARG CA . 6985 1 637 . 1 1 55 55 ARG CB C 13 30.151 0.15 . 1 . . . . 55 ARG CB . 6985 1 638 . 1 1 55 55 ARG CG C 13 27.950 0.15 . 1 . . . . 55 ARG CG . 6985 1 639 . 1 1 55 55 ARG CD C 13 43.424 0.15 . 1 . . . . 55 ARG CD . 6985 1 640 . 1 1 55 55 ARG N N 15 120.653 0.05 . 1 . . . . 55 ARG N . 6985 1 641 . 1 1 56 56 LEU H H 1 8.604 0.01 . 1 . . . . 56 LEU HN . 6985 1 642 . 1 1 56 56 LEU HA H 1 4.047 0.01 . 1 . . . . 56 LEU HA . 6985 1 643 . 1 1 56 56 LEU HB2 H 1 1.349 0.01 . 1 . . . . 56 LEU HB2 . 6985 1 644 . 1 1 56 56 LEU HB3 H 1 2.018 0.01 . 1 . . . . 56 LEU HB3 . 6985 1 645 . 1 1 56 56 LEU HG H 1 1.830 0.01 . 1 . . . . 56 LEU HG . 6985 1 646 . 1 1 56 56 LEU HD11 H 1 0.913 0.01 . 1 . . . . 56 LEU HD1 . 6985 1 647 . 1 1 56 56 LEU HD12 H 1 0.913 0.01 . 1 . . . . 56 LEU HD1 . 6985 1 648 . 1 1 56 56 LEU HD13 H 1 0.913 0.01 . 1 . . . . 56 LEU HD1 . 6985 1 649 . 1 1 56 56 LEU HD21 H 1 0.841 0.01 . 1 . . . . 56 LEU HD2 . 6985 1 650 . 1 1 56 56 LEU HD22 H 1 0.841 0.01 . 1 . . . . 56 LEU HD2 . 6985 1 651 . 1 1 56 56 LEU HD23 H 1 0.841 0.01 . 1 . . . . 56 LEU HD2 . 6985 1 652 . 1 1 56 56 LEU C C 13 180.439 0.15 . 1 . . . . 56 LEU C . 6985 1 653 . 1 1 56 56 LEU CA C 13 57.858 0.15 . 1 . . . . 56 LEU CA . 6985 1 654 . 1 1 56 56 LEU CB C 13 43.099 0.15 . 1 . . . . 56 LEU CB . 6985 1 655 . 1 1 56 56 LEU CG C 13 27.255 0.15 . 1 . . . . 56 LEU CG . 6985 1 656 . 1 1 56 56 LEU CD1 C 13 26.600 0.15 . 1 . . . . 56 LEU CD1 . 6985 1 657 . 1 1 56 56 LEU CD2 C 13 23.143 0.15 . 1 . . . . 56 LEU CD2 . 6985 1 658 . 1 1 56 56 LEU N N 15 119.968 0.05 . 1 . . . . 56 LEU N . 6985 1 659 . 1 1 57 57 ARG H H 1 8.482 0.01 . 1 . . . . 57 ARG HN . 6985 1 660 . 1 1 57 57 ARG HA H 1 3.976 0.01 . 1 . . . . 57 ARG HA . 6985 1 661 . 1 1 57 57 ARG HB2 H 1 1.984 0.01 . 1 . . . . 57 ARG QB . 6985 1 662 . 1 1 57 57 ARG HB3 H 1 1.984 0.01 . 1 . . . . 57 ARG QB . 6985 1 663 . 1 1 57 57 ARG HG2 H 1 1.588 0.01 . 2 . . . . 57 ARG HG2 . 6985 1 664 . 1 1 57 57 ARG HG3 H 1 1.873 0.01 . 2 . . . . 57 ARG HG3 . 6985 1 665 . 1 1 57 57 ARG HD2 H 1 3.234 0.01 . 2 . . . . 57 ARG HD1 . 6985 1 666 . 1 1 57 57 ARG HD3 H 1 3.167 0.01 . 2 . . . . 57 ARG HD3 . 6985 1 667 . 1 1 57 57 ARG C C 13 179.346 0.15 . 1 . . . . 57 ARG C . 6985 1 668 . 1 1 57 57 ARG CA C 13 59.934 0.15 . 1 . . . . 57 ARG CA . 6985 1 669 . 1 1 57 57 ARG CB C 13 30.331 0.15 . 1 . . . . 57 ARG CB . 6985 1 670 . 1 1 57 57 ARG CG C 13 29.207 0.15 . 1 . . . . 57 ARG CG . 6985 1 671 . 1 1 57 57 ARG CD C 13 43.501 0.15 . 1 . . . . 57 ARG CD . 6985 1 672 . 1 1 57 57 ARG N N 15 120.246 0.05 . 1 . . . . 57 ARG N . 6985 1 673 . 1 1 58 58 LEU H H 1 7.850 0.01 . 1 . . . . 58 LEU HN . 6985 1 674 . 1 1 58 58 LEU HA H 1 4.137 0.01 . 1 . . . . 58 LEU HA . 6985 1 675 . 1 1 58 58 LEU HB2 H 1 1.885 0.01 . 1 . . . . 58 LEU HB2 . 6985 1 676 . 1 1 58 58 LEU HB3 H 1 1.663 0.01 . 1 . . . . 58 LEU HB3 . 6985 1 677 . 1 1 58 58 LEU HG H 1 1.771 0.01 . 1 . . . . 58 LEU HG . 6985 1 678 . 1 1 58 58 LEU HD11 H 1 0.913 0.01 . 1 . . . . 58 LEU HD1 . 6985 1 679 . 1 1 58 58 LEU HD12 H 1 0.913 0.01 . 1 . . . . 58 LEU HD1 . 6985 1 680 . 1 1 58 58 LEU HD13 H 1 0.913 0.01 . 1 . . . . 58 LEU HD1 . 6985 1 681 . 1 1 58 58 LEU HD21 H 1 0.880 0.01 . 1 . . . . 58 LEU HD2 . 6985 1 682 . 1 1 58 58 LEU HD22 H 1 0.880 0.01 . 1 . . . . 58 LEU HD2 . 6985 1 683 . 1 1 58 58 LEU HD23 H 1 0.880 0.01 . 1 . . . . 58 LEU HD2 . 6985 1 684 . 1 1 58 58 LEU C C 13 179.704 0.15 . 1 . . . . 58 LEU C . 6985 1 685 . 1 1 58 58 LEU CA C 13 57.737 0.15 . 1 . . . . 58 LEU CA . 6985 1 686 . 1 1 58 58 LEU CB C 13 41.899 0.15 . 1 . . . . 58 LEU CB . 6985 1 687 . 1 1 58 58 LEU CG C 13 26.958 0.15 . 1 . . . . 58 LEU CG . 6985 1 688 . 1 1 58 58 LEU CD1 C 13 24.954 0.15 . 1 . . . . 58 LEU CD1 . 6985 1 689 . 1 1 58 58 LEU CD2 C 13 23.573 0.15 . 1 . . . . 58 LEU CD2 . 6985 1 690 . 1 1 58 58 LEU N N 15 120.513 0.05 . 1 . . . . 58 LEU N . 6985 1 691 . 1 1 59 59 GLU H H 1 8.137 0.01 . 1 . . . . 59 GLU HN . 6985 1 692 . 1 1 59 59 GLU HA H 1 4.140 0.01 . 1 . . . . 59 GLU HA . 6985 1 693 . 1 1 59 59 GLU HB2 H 1 2.122 0.01 . 1 . . . . 59 GLU QB . 6985 1 694 . 1 1 59 59 GLU HB3 H 1 2.122 0.01 . 1 . . . . 59 GLU QB . 6985 1 695 . 1 1 59 59 GLU HG2 H 1 2.307 0.01 . 2 . . . . 59 GLU HG2 . 6985 1 696 . 1 1 59 59 GLU HG3 H 1 2.427 0.01 . 2 . . . . 59 GLU HG3 . 6985 1 697 . 1 1 59 59 GLU C C 13 178.352 0.15 . 1 . . . . 59 GLU C . 6985 1 698 . 1 1 59 59 GLU CA C 13 58.450 0.15 . 1 . . . . 59 GLU CA . 6985 1 699 . 1 1 59 59 GLU CB C 13 29.800 0.15 . 1 . . . . 59 GLU CB . 6985 1 700 . 1 1 59 59 GLU CG C 13 36.368 0.15 . 1 . . . . 59 GLU CG . 6985 1 701 . 1 1 59 59 GLU N N 15 119.487 0.05 . 1 . . . . 59 GLU N . 6985 1 702 . 1 1 60 60 SER H H 1 7.941 0.01 . 1 . . . . 60 SER HN . 6985 1 703 . 1 1 60 60 SER HA H 1 4.256 0.01 . 1 . . . . 60 SER HA . 6985 1 704 . 1 1 60 60 SER HB2 H 1 3.979 0.01 . 1 . . . . 60 SER QB . 6985 1 705 . 1 1 60 60 SER HB3 H 1 3.979 0.01 . 1 . . . . 60 SER QB . 6985 1 706 . 1 1 60 60 SER C C 13 175.756 0.15 . 1 . . . . 60 SER C . 6985 1 707 . 1 1 60 60 SER CA C 13 60.601 0.15 . 1 . . . . 60 SER CA . 6985 1 708 . 1 1 60 60 SER CB C 13 63.301 0.15 . 1 . . . . 60 SER CB . 6985 1 709 . 1 1 60 60 SER N N 15 114.068 0.05 . 1 . . . . 60 SER N . 6985 1 710 . 1 1 61 61 LYS H H 1 7.669 0.01 . 1 . . . . 61 LYS HN . 6985 1 711 . 1 1 61 61 LYS HA H 1 4.273 0.01 . 1 . . . . 61 LYS HA . 6985 1 712 . 1 1 61 61 LYS HB2 H 1 1.876 0.01 . 2 . . . . 61 LYS HB2 . 6985 1 713 . 1 1 61 61 LYS HB3 H 1 1.952 0.01 . 2 . . . . 61 LYS HB3 . 6985 1 714 . 1 1 61 61 LYS HG2 H 1 1.481 0.01 . 2 . . . . 61 LYS HG2 . 6985 1 715 . 1 1 61 61 LYS HG3 H 1 1.566 0.01 . 2 . . . . 61 LYS HG3 . 6985 1 716 . 1 1 61 61 LYS HD2 H 1 1.690 0.01 . 1 . . . . 61 LYS QD . 6985 1 717 . 1 1 61 61 LYS HD3 H 1 1.690 0.01 . 1 . . . . 61 LYS QD . 6985 1 718 . 1 1 61 61 LYS HE2 H 1 2.983 0.01 . 1 . . . . 61 LYS QE . 6985 1 719 . 1 1 61 61 LYS HE3 H 1 2.983 0.01 . 1 . . . . 61 LYS QE . 6985 1 720 . 1 1 61 61 LYS C C 13 177.457 0.15 . 1 . . . . 61 LYS C . 6985 1 721 . 1 1 61 61 LYS CA C 13 57.189 0.15 . 1 . . . . 61 LYS CA . 6985 1 722 . 1 1 61 61 LYS CB C 13 32.543 0.15 . 1 . . . . 61 LYS CB . 6985 1 723 . 1 1 61 61 LYS CG C 13 24.843 0.15 . 1 . . . . 61 LYS CG . 6985 1 724 . 1 1 61 61 LYS CD C 13 29.050 0.15 . 1 . . . . 61 LYS CD . 6985 1 725 . 1 1 61 61 LYS CE C 13 42.140 0.15 . 1 . . . . 61 LYS CE . 6985 1 726 . 1 1 61 61 LYS N N 15 121.039 0.05 . 1 . . . . 61 LYS N . 6985 1 727 . 1 1 62 62 ARG H H 1 7.877 0.01 . 1 . . . . 62 ARG HN . 6985 1 728 . 1 1 62 62 ARG HA H 1 4.288 0.01 . 1 . . . . 62 ARG HA . 6985 1 729 . 1 1 62 62 ARG HB2 H 1 1.865 0.01 . 2 . . . . 62 ARG HB2 . 6985 1 730 . 1 1 62 62 ARG HB3 H 1 1.943 0.01 . 2 . . . . 62 ARG HB3 . 6985 1 731 . 1 1 62 62 ARG HG2 H 1 1.644 0.01 . 1 . . . . 62 ARG QG . 6985 1 732 . 1 1 62 62 ARG HG3 H 1 1.644 0.01 . 1 . . . . 62 ARG QG . 6985 1 733 . 1 1 62 62 ARG HD2 H 1 3.231 0.01 . 1 . . . . 62 ARG QD . 6985 1 734 . 1 1 62 62 ARG HD3 H 1 3.231 0.01 . 1 . . . . 62 ARG QD . 6985 1 735 . 1 1 62 62 ARG C C 13 176.926 0.15 . 1 . . . . 62 ARG C . 6985 1 736 . 1 1 62 62 ARG CA C 13 57.274 0.15 . 1 . . . . 62 ARG CA . 6985 1 737 . 1 1 62 62 ARG CB C 13 30.603 0.15 . 1 . . . . 62 ARG CB . 6985 1 738 . 1 1 62 62 ARG CG C 13 27.416 0.15 . 1 . . . . 62 ARG CG . 6985 1 739 . 1 1 62 62 ARG CD C 13 43.484 0.15 . 1 . . . . 62 ARG CD . 6985 1 740 . 1 1 62 62 ARG N N 15 120.105 0.05 . 1 . . . . 62 ARG N . 6985 1 741 . 1 1 63 63 LEU H H 1 8.092 0.01 . 1 . . . . 63 LEU HN . 6985 1 742 . 1 1 63 63 LEU HA H 1 4.355 0.01 . 1 . . . . 63 LEU HA . 6985 1 743 . 1 1 63 63 LEU HB2 H 1 1.750 0.01 . 1 . . . . 63 LEU HB2 . 6985 1 744 . 1 1 63 63 LEU HB3 H 1 1.597 0.01 . 1 . . . . 63 LEU HB3 . 6985 1 745 . 1 1 63 63 LEU HG H 1 1.706 0.01 . 1 . . . . 63 LEU HG . 6985 1 746 . 1 1 63 63 LEU HD11 H 1 0.939 0.01 . 1 . . . . 63 LEU HD1 . 6985 1 747 . 1 1 63 63 LEU HD12 H 1 0.939 0.01 . 1 . . . . 63 LEU HD1 . 6985 1 748 . 1 1 63 63 LEU HD13 H 1 0.939 0.01 . 1 . . . . 63 LEU HD1 . 6985 1 749 . 1 1 63 63 LEU HD21 H 1 0.890 0.01 . 1 . . . . 63 LEU HD2 . 6985 1 750 . 1 1 63 63 LEU HD22 H 1 0.890 0.01 . 1 . . . . 63 LEU HD2 . 6985 1 751 . 1 1 63 63 LEU HD23 H 1 0.890 0.01 . 1 . . . . 63 LEU HD2 . 6985 1 752 . 1 1 63 63 LEU C C 13 178.069 0.15 . 1 . . . . 63 LEU C . 6985 1 753 . 1 1 63 63 LEU CA C 13 55.615 0.15 . 1 . . . . 63 LEU CA . 6985 1 754 . 1 1 63 63 LEU CB C 13 42.489 0.15 . 1 . . . . 63 LEU CB . 6985 1 755 . 1 1 63 63 LEU CG C 13 26.950 0.15 . 1 . . . . 63 LEU CG . 6985 1 756 . 1 1 63 63 LEU CD1 C 13 25.376 0.15 . 1 . . . . 63 LEU CD1 . 6985 1 757 . 1 1 63 63 LEU CD2 C 13 23.296 0.15 . 1 . . . . 63 LEU CD2 . 6985 1 758 . 1 1 63 63 LEU N N 15 121.389 0.05 . 1 . . . . 63 LEU N . 6985 1 759 . 1 1 64 64 GLY H H 1 8.284 0.01 . 1 . . . . 64 GLY HN . 6985 1 760 . 1 1 64 64 GLY HA2 H 1 4.019 0.01 . 1 . . . . 64 GLY QA . 6985 1 761 . 1 1 64 64 GLY HA3 H 1 4.019 0.01 . 1 . . . . 64 GLY QA . 6985 1 762 . 1 1 64 64 GLY C C 13 174.884 0.15 . 1 . . . . 64 GLY C . 6985 1 763 . 1 1 64 64 GLY CA C 13 45.636 0.15 . 1 . . . . 64 GLY CA . 6985 1 764 . 1 1 64 64 GLY N N 15 108.511 0.05 . 1 . . . . 64 GLY N . 6985 1 765 . 1 1 65 65 GLY H H 1 8.245 0.01 . 1 . . . . 65 GLY HN . 6985 1 766 . 1 1 65 65 GLY HA2 H 1 4.001 0.01 . 1 . . . . 65 GLY QA . 6985 1 767 . 1 1 65 65 GLY HA3 H 1 4.001 0.01 . 1 . . . . 65 GLY QA . 6985 1 768 . 1 1 65 65 GLY C C 13 174.261 0.15 . 1 . . . . 65 GLY C . 6985 1 769 . 1 1 65 65 GLY CA C 13 45.612 0.15 . 1 . . . . 65 GLY CA . 6985 1 770 . 1 1 65 65 GLY N N 15 108.637 0.05 . 1 . . . . 65 GLY N . 6985 1 771 . 1 1 66 66 ASP H H 1 8.360 0.01 . 1 . . . . 66 ASP HN . 6985 1 772 . 1 1 66 66 ASP HA H 1 4.670 0.01 . 1 . . . . 66 ASP HA . 6985 1 773 . 1 1 66 66 ASP HB2 H 1 2.645 0.01 . 2 . . . . 66 ASP HB2 . 6985 1 774 . 1 1 66 66 ASP HB3 H 1 2.734 0.01 . 2 . . . . 66 ASP HB3 . 6985 1 775 . 1 1 66 66 ASP C C 13 176.327 0.15 . 1 . . . . 66 ASP C . 6985 1 776 . 1 1 66 66 ASP CA C 13 54.630 0.15 . 1 . . . . 66 ASP CA . 6985 1 777 . 1 1 66 66 ASP CB C 13 41.282 0.15 . 1 . . . . 66 ASP CB . 6985 1 778 . 1 1 66 66 ASP N N 15 121.092 0.05 . 1 . . . . 66 ASP N . 6985 1 779 . 1 1 67 67 ASP H H 1 8.300 0.01 . 1 . . . . 67 ASP HN . 6985 1 780 . 1 1 67 67 ASP HA H 1 4.451 0.01 . 1 . . . . 67 ASP HA . 6985 1 781 . 1 1 67 67 ASP HB2 H 1 2.707 0.01 . 1 . . . . 67 ASP QB . 6985 1 782 . 1 1 67 67 ASP HB3 H 1 2.707 0.01 . 1 . . . . 67 ASP QB . 6985 1 783 . 1 1 67 67 ASP C C 13 177.546 0.15 . 1 . . . . 67 ASP C . 6985 1 784 . 1 1 67 67 ASP CA C 13 55.791 0.15 . 1 . . . . 67 ASP CA . 6985 1 785 . 1 1 67 67 ASP CB C 13 41.113 0.15 . 1 . . . . 67 ASP CB . 6985 1 786 . 1 1 67 67 ASP N N 15 121.251 0.05 . 1 . . . . 67 ASP N . 6985 1 787 . 1 1 68 68 ALA H H 1 8.287 0.01 . 1 . . . . 68 ALA HN . 6985 1 788 . 1 1 68 68 ALA HA H 1 4.101 0.01 . 1 . . . . 68 ALA HA . 6985 1 789 . 1 1 68 68 ALA HB1 H 1 1.479 0.01 . 1 . . . . 68 ALA HB . 6985 1 790 . 1 1 68 68 ALA HB2 H 1 1.479 0.01 . 1 . . . . 68 ALA HB . 6985 1 791 . 1 1 68 68 ALA HB3 H 1 1.479 0.01 . 1 . . . . 68 ALA HB . 6985 1 792 . 1 1 68 68 ALA C C 13 179.657 0.15 . 1 . . . . 68 ALA C . 6985 1 793 . 1 1 68 68 ALA CA C 13 54.974 0.15 . 1 . . . . 68 ALA CA . 6985 1 794 . 1 1 68 68 ALA CB C 13 18.528 0.15 . 1 . . . . 68 ALA CB . 6985 1 795 . 1 1 68 68 ALA N N 15 124.036 0.05 . 1 . . . . 68 ALA N . 6985 1 796 . 1 1 69 69 ARG H H 1 8.058 0.01 . 1 . . . . 69 ARG HN . 6985 1 797 . 1 1 69 69 ARG HA H 1 4.147 0.01 . 1 . . . . 69 ARG HA . 6985 1 798 . 1 1 69 69 ARG HB2 H 1 1.935 0.01 . 1 . . . . 69 ARG QB . 6985 1 799 . 1 1 69 69 ARG HB3 H 1 1.935 0.01 . 1 . . . . 69 ARG QB . 6985 1 800 . 1 1 69 69 ARG HG2 H 1 1.712 0.01 . 1 . . . . 69 ARG QG . 6985 1 801 . 1 1 69 69 ARG HG3 H 1 1.712 0.01 . 1 . . . . 69 ARG QG . 6985 1 802 . 1 1 69 69 ARG HD2 H 1 3.363 0.01 . 2 . . . . 69 ARG HD1 . 6985 1 803 . 1 1 69 69 ARG HD3 H 1 3.182 0.01 . 2 . . . . 69 ARG HD3 . 6985 1 804 . 1 1 69 69 ARG C C 13 178.513 0.15 . 1 . . . . 69 ARG C . 6985 1 805 . 1 1 69 69 ARG CA C 13 58.505 0.15 . 1 . . . . 69 ARG CA . 6985 1 806 . 1 1 69 69 ARG CB C 13 30.058 0.15 . 1 . . . . 69 ARG CB . 6985 1 807 . 1 1 69 69 ARG CG C 13 27.102 0.15 . 1 . . . . 69 ARG CG . 6985 1 808 . 1 1 69 69 ARG CD C 13 43.372 0.15 . 1 . . . . 69 ARG CD . 6985 1 809 . 1 1 69 69 ARG N N 15 118.905 0.05 . 1 . . . . 69 ARG N . 6985 1 810 . 1 1 70 70 VAL H H 1 7.841 0.01 . 1 . . . . 70 VAL HN . 6985 1 811 . 1 1 70 70 VAL HA H 1 3.467 0.01 . 1 . . . . 70 VAL HA . 6985 1 812 . 1 1 70 70 VAL HB H 1 2.121 0.01 . 1 . . . . 70 VAL HB . 6985 1 813 . 1 1 70 70 VAL HG11 H 1 0.867 0.01 . 1 . . . . 70 VAL HG1 . 6985 1 814 . 1 1 70 70 VAL HG12 H 1 0.867 0.01 . 1 . . . . 70 VAL HG1 . 6985 1 815 . 1 1 70 70 VAL HG13 H 1 0.867 0.01 . 1 . . . . 70 VAL HG1 . 6985 1 816 . 1 1 70 70 VAL HG21 H 1 0.977 0.01 . 1 . . . . 70 VAL HG2 . 6985 1 817 . 1 1 70 70 VAL HG22 H 1 0.977 0.01 . 1 . . . . 70 VAL HG2 . 6985 1 818 . 1 1 70 70 VAL HG23 H 1 0.977 0.01 . 1 . . . . 70 VAL HG2 . 6985 1 819 . 1 1 70 70 VAL C C 13 177.286 0.15 . 1 . . . . 70 VAL C . 6985 1 820 . 1 1 70 70 VAL CA C 13 67.122 0.15 . 1 . . . . 70 VAL CA . 6985 1 821 . 1 1 70 70 VAL CB C 13 31.668 0.15 . 1 . . . . 70 VAL CB . 6985 1 822 . 1 1 70 70 VAL CG1 C 13 21.320 0.15 . 1 . . . . 70 VAL CG1 . 6985 1 823 . 1 1 70 70 VAL CG2 C 13 23.860 0.15 . 1 . . . . 70 VAL CG2 . 6985 1 824 . 1 1 70 70 VAL N N 15 118.528 0.05 . 1 . . . . 70 VAL N . 6985 1 825 . 1 1 71 71 ARG H H 1 7.772 0.01 . 1 . . . . 71 ARG HN . 6985 1 826 . 1 1 71 71 ARG HA H 1 4.140 0.01 . 1 . . . . 71 ARG HA . 6985 1 827 . 1 1 71 71 ARG HB2 H 1 1.926 0.01 . 1 . . . . 71 ARG QB . 6985 1 828 . 1 1 71 71 ARG HB3 H 1 1.926 0.01 . 1 . . . . 71 ARG QB . 6985 1 829 . 1 1 71 71 ARG HG2 H 1 1.684 0.01 . 2 . . . . 71 ARG HG2 . 6985 1 830 . 1 1 71 71 ARG HG3 H 1 1.740 0.01 . 2 . . . . 71 ARG HG3 . 6985 1 831 . 1 1 71 71 ARG HD2 H 1 3.238 0.01 . 1 . . . . 71 ARG QD . 6985 1 832 . 1 1 71 71 ARG HD3 H 1 3.238 0.01 . 1 . . . . 71 ARG QD . 6985 1 833 . 1 1 71 71 ARG C C 13 178.928 0.15 . 1 . . . . 71 ARG C . 6985 1 834 . 1 1 71 71 ARG CA C 13 59.041 0.15 . 1 . . . . 71 ARG CA . 6985 1 835 . 1 1 71 71 ARG CB C 13 29.770 0.15 . 1 . . . . 71 ARG CB . 6985 1 836 . 1 1 71 71 ARG CG C 13 27.299 0.15 . 1 . . . . 71 ARG CG . 6985 1 837 . 1 1 71 71 ARG CD C 13 43.262 0.15 . 1 . . . . 71 ARG CD . 6985 1 838 . 1 1 71 71 ARG N N 15 118.095 0.05 . 1 . . . . 71 ARG N . 6985 1 839 . 1 1 72 72 GLU H H 1 7.880 0.01 . 1 . . . . 72 GLU HN . 6985 1 840 . 1 1 72 72 GLU HA H 1 4.048 0.01 . 1 . . . . 72 GLU HA . 6985 1 841 . 1 1 72 72 GLU HB2 H 1 2.154 0.01 . 1 . . . . 72 GLU QB . 6985 1 842 . 1 1 72 72 GLU HB3 H 1 2.154 0.01 . 1 . . . . 72 GLU QB . 6985 1 843 . 1 1 72 72 GLU HG2 H 1 2.298 0.01 . 2 . . . . 72 GLU HG2 . 6985 1 844 . 1 1 72 72 GLU HG3 H 1 2.428 0.01 . 2 . . . . 72 GLU HG3 . 6985 1 845 . 1 1 72 72 GLU C C 13 180.000 0.15 . 1 . . . . 72 GLU C . 6985 1 846 . 1 1 72 72 GLU CA C 13 59.541 0.15 . 1 . . . . 72 GLU CA . 6985 1 847 . 1 1 72 72 GLU CB C 13 29.689 0.15 . 1 . . . . 72 GLU CB . 6985 1 848 . 1 1 72 72 GLU CG C 13 36.329 0.15 . 1 . . . . 72 GLU CG . 6985 1 849 . 1 1 72 72 GLU N N 15 118.023 0.05 . 1 . . . . 72 GLU N . 6985 1 850 . 1 1 73 73 LEU H H 1 8.114 0.01 . 1 . . . . 73 LEU HN . 6985 1 851 . 1 1 73 73 LEU HA H 1 4.134 0.01 . 1 . . . . 73 LEU HA . 6985 1 852 . 1 1 73 73 LEU HB2 H 1 2.151 0.01 . 1 . . . . 73 LEU HB2 . 6985 1 853 . 1 1 73 73 LEU HB3 H 1 1.321 0.01 . 1 . . . . 73 LEU HB3 . 6985 1 854 . 1 1 73 73 LEU HG H 1 1.856 0.01 . 1 . . . . 73 LEU HG . 6985 1 855 . 1 1 73 73 LEU HD11 H 1 0.968 0.01 . 1 . . . . 73 LEU HD1 . 6985 1 856 . 1 1 73 73 LEU HD12 H 1 0.968 0.01 . 1 . . . . 73 LEU HD1 . 6985 1 857 . 1 1 73 73 LEU HD13 H 1 0.968 0.01 . 1 . . . . 73 LEU HD1 . 6985 1 858 . 1 1 73 73 LEU HD21 H 1 0.869 0.01 . 1 . . . . 73 LEU HD2 . 6985 1 859 . 1 1 73 73 LEU HD22 H 1 0.869 0.01 . 1 . . . . 73 LEU HD2 . 6985 1 860 . 1 1 73 73 LEU HD23 H 1 0.869 0.01 . 1 . . . . 73 LEU HD2 . 6985 1 861 . 1 1 73 73 LEU C C 13 178.849 0.15 . 1 . . . . 73 LEU C . 6985 1 862 . 1 1 73 73 LEU CA C 13 58.135 0.15 . 1 . . . . 73 LEU CA . 6985 1 863 . 1 1 73 73 LEU CB C 13 42.978 0.15 . 1 . . . . 73 LEU CB . 6985 1 864 . 1 1 73 73 LEU CG C 13 27.451 0.15 . 1 . . . . 73 LEU CG . 6985 1 865 . 1 1 73 73 LEU CD1 C 13 27.543 0.15 . 1 . . . . 73 LEU CD1 . 6985 1 866 . 1 1 73 73 LEU CD2 C 13 23.573 0.15 . 1 . . . . 73 LEU CD2 . 6985 1 867 . 1 1 73 73 LEU N N 15 121.063 0.05 . 1 . . . . 73 LEU N . 6985 1 868 . 1 1 74 74 GLU H H 1 8.671 0.01 . 1 . . . . 74 GLU HN . 6985 1 869 . 1 1 74 74 GLU HA H 1 3.912 0.01 . 1 . . . . 74 GLU HA . 6985 1 870 . 1 1 74 74 GLU HB2 H 1 2.265 0.01 . 1 . . . . 74 GLU HB2 . 6985 1 871 . 1 1 74 74 GLU HB3 H 1 1.976 0.01 . 1 . . . . 74 GLU HB3 . 6985 1 872 . 1 1 74 74 GLU HG2 H 1 2.130 0.01 . 2 . . . . 74 GLU HG2 . 6985 1 873 . 1 1 74 74 GLU HG3 H 1 2.625 0.01 . 2 . . . . 74 GLU HG3 . 6985 1 874 . 1 1 74 74 GLU C C 13 179.815 0.15 . 1 . . . . 74 GLU C . 6985 1 875 . 1 1 74 74 GLU CA C 13 60.335 0.15 . 1 . . . . 74 GLU CA . 6985 1 876 . 1 1 74 74 GLU CB C 13 29.666 0.15 . 1 . . . . 74 GLU CB . 6985 1 877 . 1 1 74 74 GLU CG C 13 37.914 0.15 . 1 . . . . 74 GLU CG . 6985 1 878 . 1 1 74 74 GLU N N 15 118.920 0.05 . 1 . . . . 74 GLU N . 6985 1 879 . 1 1 75 75 LEU H H 1 7.952 0.01 . 1 . . . . 75 LEU HN . 6985 1 880 . 1 1 75 75 LEU HA H 1 4.194 0.01 . 1 . . . . 75 LEU HA . 6985 1 881 . 1 1 75 75 LEU HB2 H 1 1.926 0.01 . 1 . . . . 75 LEU HB2 . 6985 1 882 . 1 1 75 75 LEU HB3 H 1 1.615 0.01 . 1 . . . . 75 LEU HB3 . 6985 1 883 . 1 1 75 75 LEU HG H 1 1.830 0.01 . 1 . . . . 75 LEU HG . 6985 1 884 . 1 1 75 75 LEU HD11 H 1 0.919 0.01 . 1 . . . . 75 LEU HD1 . 6985 1 885 . 1 1 75 75 LEU HD12 H 1 0.919 0.01 . 1 . . . . 75 LEU HD1 . 6985 1 886 . 1 1 75 75 LEU HD13 H 1 0.919 0.01 . 1 . . . . 75 LEU HD1 . 6985 1 887 . 1 1 75 75 LEU HD21 H 1 0.925 0.01 . 1 . . . . 75 LEU HD2 . 6985 1 888 . 1 1 75 75 LEU HD22 H 1 0.925 0.01 . 1 . . . . 75 LEU HD2 . 6985 1 889 . 1 1 75 75 LEU HD23 H 1 0.925 0.01 . 1 . . . . 75 LEU HD2 . 6985 1 890 . 1 1 75 75 LEU C C 13 180.088 0.15 . 1 . . . . 75 LEU C . 6985 1 891 . 1 1 75 75 LEU CA C 13 58.082 0.15 . 1 . . . . 75 LEU CA . 6985 1 892 . 1 1 75 75 LEU CB C 13 41.996 0.15 . 1 . . . . 75 LEU CB . 6985 1 893 . 1 1 75 75 LEU CG C 13 27.007 0.15 . 1 . . . . 75 LEU CG . 6985 1 894 . 1 1 75 75 LEU CD1 C 13 25.023 0.15 . 1 . . . . 75 LEU CD1 . 6985 1 895 . 1 1 75 75 LEU CD2 C 13 23.511 0.15 . 1 . . . . 75 LEU CD2 . 6985 1 896 . 1 1 75 75 LEU N N 15 119.527 0.05 . 1 . . . . 75 LEU N . 6985 1 897 . 1 1 76 76 GLU H H 1 7.772 0.01 . 1 . . . . 76 GLU HN . 6985 1 898 . 1 1 76 76 GLU HA H 1 4.327 0.01 . 1 . . . . 76 GLU HA . 6985 1 899 . 1 1 76 76 GLU HB2 H 1 2.092 0.01 . 2 . . . . 76 GLU HB2 . 6985 1 900 . 1 1 76 76 GLU HB3 H 1 2.165 0.01 . 2 . . . . 76 GLU HB3 . 6985 1 901 . 1 1 76 76 GLU HG2 H 1 2.347 0.01 . 1 . . . . 76 GLU QG . 6985 1 902 . 1 1 76 76 GLU HG3 H 1 2.347 0.01 . 1 . . . . 76 GLU QG . 6985 1 903 . 1 1 76 76 GLU C C 13 178.634 0.15 . 1 . . . . 76 GLU C . 6985 1 904 . 1 1 76 76 GLU CA C 13 58.790 0.15 . 1 . . . . 76 GLU CA . 6985 1 905 . 1 1 76 76 GLU CB C 13 29.220 0.15 . 1 . . . . 76 GLU CB . 6985 1 906 . 1 1 76 76 GLU CG C 13 35.558 0.15 . 1 . . . . 76 GLU CG . 6985 1 907 . 1 1 76 76 GLU N N 15 121.891 0.05 . 1 . . . . 76 GLU N . 6985 1 908 . 1 1 77 77 LEU H H 1 8.671 0.01 . 1 . . . . 77 LEU HN . 6985 1 909 . 1 1 77 77 LEU HA H 1 3.935 0.01 . 1 . . . . 77 LEU HA . 6985 1 910 . 1 1 77 77 LEU HB2 H 1 1.710 0.01 . 2 . . . . 77 LEU HB2 . 6985 1 911 . 1 1 77 77 LEU HB3 H 1 1.775 0.01 . 2 . . . . 77 LEU HB3 . 6985 1 912 . 1 1 77 77 LEU HG H 1 1.636 0.01 . 1 . . . . 77 LEU HG . 6985 1 913 . 1 1 77 77 LEU HD11 H 1 0.928 0.01 . 1 . . . . 77 LEU HD1 . 6985 1 914 . 1 1 77 77 LEU HD12 H 1 0.928 0.01 . 1 . . . . 77 LEU HD1 . 6985 1 915 . 1 1 77 77 LEU HD13 H 1 0.928 0.01 . 1 . . . . 77 LEU HD1 . 6985 1 916 . 1 1 77 77 LEU HD21 H 1 0.890 0.01 . 1 . . . . 77 LEU HD2 . 6985 1 917 . 1 1 77 77 LEU HD22 H 1 0.890 0.01 . 1 . . . . 77 LEU HD2 . 6985 1 918 . 1 1 77 77 LEU HD23 H 1 0.890 0.01 . 1 . . . . 77 LEU HD2 . 6985 1 919 . 1 1 77 77 LEU C C 13 178.697 0.15 . 1 . . . . 77 LEU C . 6985 1 920 . 1 1 77 77 LEU CA C 13 58.556 0.15 . 1 . . . . 77 LEU CA . 6985 1 921 . 1 1 77 77 LEU CB C 13 41.640 0.15 . 1 . . . . 77 LEU CB . 6985 1 922 . 1 1 77 77 LEU CG C 13 27.459 0.15 . 1 . . . . 77 LEU CG . 6985 1 923 . 1 1 77 77 LEU CD1 C 13 25.750 0.15 . 1 . . . . 77 LEU CD1 . 6985 1 924 . 1 1 77 77 LEU CD2 C 13 25.359 0.15 . 1 . . . . 77 LEU CD2 . 6985 1 925 . 1 1 77 77 LEU N N 15 121.205 0.05 . 1 . . . . 77 LEU N . 6985 1 926 . 1 1 78 78 ASP H H 1 7.938 0.01 . 1 . . . . 78 ASP HN . 6985 1 927 . 1 1 78 78 ASP HA H 1 4.377 0.01 . 1 . . . . 78 ASP HA . 6985 1 928 . 1 1 78 78 ASP HB2 H 1 2.830 0.01 . 1 . . . . 78 ASP HB2 . 6985 1 929 . 1 1 78 78 ASP HB3 H 1 2.677 0.01 . 1 . . . . 78 ASP HB3 . 6985 1 930 . 1 1 78 78 ASP C C 13 179.477 0.15 . 1 . . . . 78 ASP C . 6985 1 931 . 1 1 78 78 ASP CA C 13 57.803 0.15 . 1 . . . . 78 ASP CA . 6985 1 932 . 1 1 78 78 ASP CB C 13 40.716 0.15 . 1 . . . . 78 ASP CB . 6985 1 933 . 1 1 78 78 ASP N N 15 118.506 0.05 . 1 . . . . 78 ASP N . 6985 1 934 . 1 1 79 79 ARG H H 1 7.859 0.01 . 1 . . . . 79 ARG HN . 6985 1 935 . 1 1 79 79 ARG HA H 1 4.093 0.01 . 1 . . . . 79 ARG HA . 6985 1 936 . 1 1 79 79 ARG HB2 H 1 2.042 0.01 . 1 . . . . 79 ARG HB2 . 6985 1 937 . 1 1 79 79 ARG HB3 H 1 1.993 0.01 . 1 . . . . 79 ARG HB3 . 6985 1 938 . 1 1 79 79 ARG HG2 H 1 1.546 0.01 . 2 . . . . 79 ARG HG2 . 6985 1 939 . 1 1 79 79 ARG HG3 H 1 1.785 0.01 . 2 . . . . 79 ARG HG3 . 6985 1 940 . 1 1 79 79 ARG HD2 H 1 3.138 0.01 . 1 . . . . 79 ARG QD . 6985 1 941 . 1 1 79 79 ARG HD3 H 1 3.138 0.01 . 1 . . . . 79 ARG QD . 6985 1 942 . 1 1 79 79 ARG C C 13 179.525 0.15 . 1 . . . . 79 ARG C . 6985 1 943 . 1 1 79 79 ARG CA C 13 59.766 0.15 . 1 . . . . 79 ARG CA . 6985 1 944 . 1 1 79 79 ARG CB C 13 30.236 0.15 . 1 . . . . 79 ARG CB . 6985 1 945 . 1 1 79 79 ARG CG C 13 27.583 0.15 . 1 . . . . 79 ARG CG . 6985 1 946 . 1 1 79 79 ARG CD C 13 43.267 0.15 . 1 . . . . 79 ARG CD . 6985 1 947 . 1 1 79 79 ARG N N 15 121.179 0.05 . 1 . . . . 79 ARG N . 6985 1 948 . 1 1 80 80 LEU H H 1 8.632 0.01 . 1 . . . . 80 LEU HN . 6985 1 949 . 1 1 80 80 LEU HA H 1 4.063 0.01 . 1 . . . . 80 LEU HA . 6985 1 950 . 1 1 80 80 LEU HB2 H 1 1.937 0.01 . 1 . . . . 80 LEU HB2 . 6985 1 951 . 1 1 80 80 LEU HB3 H 1 1.400 0.01 . 1 . . . . 80 LEU HB3 . 6985 1 952 . 1 1 80 80 LEU HG H 1 1.753 0.01 . 1 . . . . 80 LEU HG . 6985 1 953 . 1 1 80 80 LEU HD11 H 1 0.938 0.01 . 1 . . . . 80 LEU HD1 . 6985 1 954 . 1 1 80 80 LEU HD12 H 1 0.938 0.01 . 1 . . . . 80 LEU HD1 . 6985 1 955 . 1 1 80 80 LEU HD13 H 1 0.938 0.01 . 1 . . . . 80 LEU HD1 . 6985 1 956 . 1 1 80 80 LEU HD21 H 1 0.859 0.01 . 1 . . . . 80 LEU HD2 . 6985 1 957 . 1 1 80 80 LEU HD22 H 1 0.859 0.01 . 1 . . . . 80 LEU HD2 . 6985 1 958 . 1 1 80 80 LEU HD23 H 1 0.859 0.01 . 1 . . . . 80 LEU HD2 . 6985 1 959 . 1 1 80 80 LEU C C 13 179.759 0.15 . 1 . . . . 80 LEU C . 6985 1 960 . 1 1 80 80 LEU CA C 13 57.824 0.15 . 1 . . . . 80 LEU CA . 6985 1 961 . 1 1 80 80 LEU CB C 13 42.757 0.15 . 1 . . . . 80 LEU CB . 6985 1 962 . 1 1 80 80 LEU CG C 13 27.737 0.15 . 1 . . . . 80 LEU CG . 6985 1 963 . 1 1 80 80 LEU CD1 C 13 26.623 0.15 . 1 . . . . 80 LEU CD1 . 6985 1 964 . 1 1 80 80 LEU CD2 C 13 24.197 0.15 . 1 . . . . 80 LEU CD2 . 6985 1 965 . 1 1 80 80 LEU N N 15 121.166 0.05 . 1 . . . . 80 LEU N . 6985 1 966 . 1 1 81 81 ARG H H 1 8.920 0.01 . 1 . . . . 81 ARG HN . 6985 1 967 . 1 1 81 81 ARG HA H 1 3.968 0.01 . 1 . . . . 81 ARG HA . 6985 1 968 . 1 1 81 81 ARG HB2 H 1 1.870 0.01 . 1 . . . . 81 ARG QB . 6985 1 969 . 1 1 81 81 ARG HB3 H 1 1.870 0.01 . 1 . . . . 81 ARG QB . 6985 1 970 . 1 1 81 81 ARG HG2 H 1 1.642 0.01 . 2 . . . . 81 ARG HG2 . 6985 1 971 . 1 1 81 81 ARG HG3 H 1 1.907 0.01 . 2 . . . . 81 ARG HG3 . 6985 1 972 . 1 1 81 81 ARG HD2 H 1 3.186 0.01 . 1 . . . . 81 ARG QD . 6985 1 973 . 1 1 81 81 ARG HD3 H 1 3.186 0.01 . 1 . . . . 81 ARG QD . 6985 1 974 . 1 1 81 81 ARG C C 13 179.214 0.15 . 1 . . . . 81 ARG C . 6985 1 975 . 1 1 81 81 ARG CA C 13 60.341 0.15 . 1 . . . . 81 ARG CA . 6985 1 976 . 1 1 81 81 ARG CB C 13 30.268 0.15 . 1 . . . . 81 ARG CB . 6985 1 977 . 1 1 81 81 ARG CG C 13 28.896 0.15 . 1 . . . . 81 ARG CG . 6985 1 978 . 1 1 81 81 ARG CD C 13 43.500 0.15 . 1 . . . . 81 ARG CD . 6985 1 979 . 1 1 81 81 ARG N N 15 120.374 0.05 . 1 . . . . 81 ARG N . 6985 1 980 . 1 1 82 82 ALA H H 1 7.671 0.01 . 1 . . . . 82 ALA HN . 6985 1 981 . 1 1 82 82 ALA HA H 1 4.203 0.01 . 1 . . . . 82 ALA HA . 6985 1 982 . 1 1 82 82 ALA HB1 H 1 1.555 0.01 . 1 . . . . 82 ALA HB . 6985 1 983 . 1 1 82 82 ALA HB2 H 1 1.555 0.01 . 1 . . . . 82 ALA HB . 6985 1 984 . 1 1 82 82 ALA HB3 H 1 1.555 0.01 . 1 . . . . 82 ALA HB . 6985 1 985 . 1 1 82 82 ALA C C 13 180.889 0.15 . 1 . . . . 82 ALA C . 6985 1 986 . 1 1 82 82 ALA CA C 13 55.226 0.15 . 1 . . . . 82 ALA CA . 6985 1 987 . 1 1 82 82 ALA CB C 13 17.886 0.15 . 1 . . . . 82 ALA CB . 6985 1 988 . 1 1 82 82 ALA N N 15 121.932 0.05 . 1 . . . . 82 ALA N . 6985 1 989 . 1 1 83 83 GLU H H 1 8.242 0.01 . 1 . . . . 83 GLU HN . 6985 1 990 . 1 1 83 83 GLU HA H 1 4.048 0.01 . 1 . . . . 83 GLU HA . 6985 1 991 . 1 1 83 83 GLU HB2 H 1 2.033 0.01 . 2 . . . . 83 GLU HB2 . 6985 1 992 . 1 1 83 83 GLU HB3 H 1 2.111 0.01 . 2 . . . . 83 GLU HB3 . 6985 1 993 . 1 1 83 83 GLU HG2 H 1 2.160 0.01 . 2 . . . . 83 GLU HG2 . 6985 1 994 . 1 1 83 83 GLU HG3 H 1 2.395 0.01 . 2 . . . . 83 GLU HG3 . 6985 1 995 . 1 1 83 83 GLU C C 13 178.381 0.15 . 1 . . . . 83 GLU C . 6985 1 996 . 1 1 83 83 GLU CA C 13 59.561 0.15 . 1 . . . . 83 GLU CA . 6985 1 997 . 1 1 83 83 GLU CB C 13 29.745 0.15 . 1 . . . . 83 GLU CB . 6985 1 998 . 1 1 83 83 GLU CG C 13 36.641 0.15 . 1 . . . . 83 GLU CG . 6985 1 999 . 1 1 83 83 GLU N N 15 120.854 0.05 . 1 . . . . 83 GLU N . 6985 1 1000 . 1 1 84 84 ASN H H 1 8.766 0.01 . 1 . . . . 84 ASN HN . 6985 1 1001 . 1 1 84 84 ASN HA H 1 4.282 0.01 . 1 . . . . 84 ASN HA . 6985 1 1002 . 1 1 84 84 ASN HB2 H 1 2.745 0.01 . 2 . . . . 84 ASN HB2 . 6985 1 1003 . 1 1 84 84 ASN HB3 H 1 3.204 0.01 . 2 . . . . 84 ASN HB3 . 6985 1 1004 . 1 1 84 84 ASN HD21 H 1 7.788 0.01 . 2 . . . . 84 ASN HD21 . 6985 1 1005 . 1 1 84 84 ASN HD22 H 1 6.680 0.01 . 2 . . . . 84 ASN HD22 . 6985 1 1006 . 1 1 84 84 ASN C C 13 176.981 0.15 . 1 . . . . 84 ASN C . 6985 1 1007 . 1 1 84 84 ASN CA C 13 57.113 0.15 . 1 . . . . 84 ASN CA . 6985 1 1008 . 1 1 84 84 ASN CB C 13 38.911 0.15 . 1 . . . . 84 ASN CB . 6985 1 1009 . 1 1 84 84 ASN N N 15 119.512 0.05 . 1 . . . . 84 ASN N . 6985 1 1010 . 1 1 84 84 ASN ND2 N 15 106.345 0.05 . 1 . . . . 84 ASN ND2 . 6985 1 1011 . 1 1 85 85 LEU H H 1 7.863 0.01 . 1 . . . . 85 LEU HN . 6985 1 1012 . 1 1 85 85 LEU HA H 1 4.170 0.01 . 1 . . . . 85 LEU HA . 6985 1 1013 . 1 1 85 85 LEU HB2 H 1 1.789 0.01 . 1 . . . . 85 LEU QB . 6985 1 1014 . 1 1 85 85 LEU HB3 H 1 1.789 0.01 . 1 . . . . 85 LEU QB . 6985 1 1015 . 1 1 85 85 LEU HG H 1 1.706 0.01 . 1 . . . . 85 LEU HG . 6985 1 1016 . 1 1 85 85 LEU HD11 H 1 0.922 0.01 . 1 . . . . 85 LEU HD1 . 6985 1 1017 . 1 1 85 85 LEU HD12 H 1 0.922 0.01 . 1 . . . . 85 LEU HD1 . 6985 1 1018 . 1 1 85 85 LEU HD13 H 1 0.922 0.01 . 1 . . . . 85 LEU HD1 . 6985 1 1019 . 1 1 85 85 LEU HD21 H 1 0.933 0.01 . 1 . . . . 85 LEU HD2 . 6985 1 1020 . 1 1 85 85 LEU HD22 H 1 0.933 0.01 . 1 . . . . 85 LEU HD2 . 6985 1 1021 . 1 1 85 85 LEU HD23 H 1 0.933 0.01 . 1 . . . . 85 LEU HD2 . 6985 1 1022 . 1 1 85 85 LEU C C 13 180.118 0.15 . 1 . . . . 85 LEU C . 6985 1 1023 . 1 1 85 85 LEU CA C 13 58.183 0.15 . 1 . . . . 85 LEU CA . 6985 1 1024 . 1 1 85 85 LEU CB C 13 41.638 0.15 . 1 . . . . 85 LEU CB . 6985 1 1025 . 1 1 85 85 LEU CG C 13 26.961 0.15 . 1 . . . . 85 LEU CG . 6985 1 1026 . 1 1 85 85 LEU CD1 C 13 24.538 0.15 . 1 . . . . 85 LEU CD1 . 6985 1 1027 . 1 1 85 85 LEU CD2 C 13 23.869 0.15 . 1 . . . . 85 LEU CD2 . 6985 1 1028 . 1 1 85 85 LEU N N 15 119.253 0.05 . 1 . . . . 85 LEU N . 6985 1 1029 . 1 1 86 86 GLN H H 1 7.755 0.01 . 1 . . . . 86 GLN HN . 6985 1 1030 . 1 1 86 86 GLN HA H 1 4.052 0.01 . 1 . . . . 86 GLN HA . 6985 1 1031 . 1 1 86 86 GLN HB2 H 1 2.247 0.01 . 1 . . . . 86 GLN QB . 6985 1 1032 . 1 1 86 86 GLN HB3 H 1 2.247 0.01 . 1 . . . . 86 GLN QB . 6985 1 1033 . 1 1 86 86 GLN HG2 H 1 2.415 0.01 . 2 . . . . 86 GLN HG2 . 6985 1 1034 . 1 1 86 86 GLN HG3 H 1 2.476 0.01 . 2 . . . . 86 GLN HG3 . 6985 1 1035 . 1 1 86 86 GLN HE21 H 1 7.599 0.01 . 2 . . . . 86 GLN HE21 . 6985 1 1036 . 1 1 86 86 GLN HE22 H 1 6.771 0.01 . 2 . . . . 86 GLN HE22 . 6985 1 1037 . 1 1 86 86 GLN C C 13 178.907 0.15 . 1 . . . . 86 GLN C . 6985 1 1038 . 1 1 86 86 GLN CA C 13 59.265 0.15 . 1 . . . . 86 GLN CA . 6985 1 1039 . 1 1 86 86 GLN CB C 13 28.059 0.15 . 1 . . . . 86 GLN CB . 6985 1 1040 . 1 1 86 86 GLN CG C 13 33.485 0.15 . 1 . . . . 86 GLN CG . 6985 1 1041 . 1 1 86 86 GLN N N 15 120.999 0.05 . 1 . . . . 86 GLN N . 6985 1 1042 . 1 1 86 86 GLN NE2 N 15 111.899 0.05 . 1 . . . . 86 GLN NE2 . 6985 1 1043 . 1 1 87 87 LEU H H 1 8.476 0.01 . 1 . . . . 87 LEU HN . 6985 1 1044 . 1 1 87 87 LEU HA H 1 4.001 0.01 . 1 . . . . 87 LEU HA . 6985 1 1045 . 1 1 87 87 LEU HB2 H 1 2.065 0.01 . 1 . . . . 87 LEU HB2 . 6985 1 1046 . 1 1 87 87 LEU HB3 H 1 1.253 0.01 . 1 . . . . 87 LEU HB3 . 6985 1 1047 . 1 1 87 87 LEU HG H 1 1.884 0.01 . 1 . . . . 87 LEU HG . 6985 1 1048 . 1 1 87 87 LEU HD11 H 1 0.942 0.01 . 1 . . . . 87 LEU HD1 . 6985 1 1049 . 1 1 87 87 LEU HD12 H 1 0.942 0.01 . 1 . . . . 87 LEU HD1 . 6985 1 1050 . 1 1 87 87 LEU HD13 H 1 0.942 0.01 . 1 . . . . 87 LEU HD1 . 6985 1 1051 . 1 1 87 87 LEU HD21 H 1 0.845 0.01 . 1 . . . . 87 LEU HD2 . 6985 1 1052 . 1 1 87 87 LEU HD22 H 1 0.845 0.01 . 1 . . . . 87 LEU HD2 . 6985 1 1053 . 1 1 87 87 LEU HD23 H 1 0.845 0.01 . 1 . . . . 87 LEU HD2 . 6985 1 1054 . 1 1 87 87 LEU C C 13 179.586 0.15 . 1 . . . . 87 LEU C . 6985 1 1055 . 1 1 87 87 LEU CA C 13 57.908 0.15 . 1 . . . . 87 LEU CA . 6985 1 1056 . 1 1 87 87 LEU CB C 13 43.889 0.15 . 1 . . . . 87 LEU CB . 6985 1 1057 . 1 1 87 87 LEU CG C 13 27.001 0.15 . 1 . . . . 87 LEU CG . 6985 1 1058 . 1 1 87 87 LEU CD1 C 13 26.640 0.15 . 1 . . . . 87 LEU CD1 . 6985 1 1059 . 1 1 87 87 LEU CD2 C 13 23.143 0.15 . 1 . . . . 87 LEU CD2 . 6985 1 1060 . 1 1 87 87 LEU N N 15 120.626 0.05 . 1 . . . . 87 LEU N . 6985 1 1061 . 1 1 88 88 LEU H H 1 8.825 0.01 . 1 . . . . 88 LEU HN . 6985 1 1062 . 1 1 88 88 LEU HA H 1 4.029 0.01 . 1 . . . . 88 LEU HA . 6985 1 1063 . 1 1 88 88 LEU HB2 H 1 1.814 0.01 . 1 . . . . 88 LEU HB2 . 6985 1 1064 . 1 1 88 88 LEU HB3 H 1 1.750 0.01 . 1 . . . . 88 LEU HB3 . 6985 1 1065 . 1 1 88 88 LEU HG H 1 1.701 0.01 . 1 . . . . 88 LEU HG . 6985 1 1066 . 1 1 88 88 LEU HD11 H 1 0.931 0.01 . 1 . . . . 88 LEU HD1 . 6985 1 1067 . 1 1 88 88 LEU HD12 H 1 0.931 0.01 . 1 . . . . 88 LEU HD1 . 6985 1 1068 . 1 1 88 88 LEU HD13 H 1 0.931 0.01 . 1 . . . . 88 LEU HD1 . 6985 1 1069 . 1 1 88 88 LEU HD21 H 1 0.921 0.01 . 1 . . . . 88 LEU HD2 . 6985 1 1070 . 1 1 88 88 LEU HD22 H 1 0.921 0.01 . 1 . . . . 88 LEU HD2 . 6985 1 1071 . 1 1 88 88 LEU HD23 H 1 0.921 0.01 . 1 . . . . 88 LEU HD2 . 6985 1 1072 . 1 1 88 88 LEU C C 13 179.242 0.15 . 1 . . . . 88 LEU C . 6985 1 1073 . 1 1 88 88 LEU CA C 13 58.461 0.15 . 1 . . . . 88 LEU CA . 6985 1 1074 . 1 1 88 88 LEU CB C 13 42.430 0.15 . 1 . . . . 88 LEU CB . 6985 1 1075 . 1 1 88 88 LEU CG C 13 26.833 0.15 . 1 . . . . 88 LEU CG . 6985 1 1076 . 1 1 88 88 LEU CD1 C 13 25.232 0.15 . 1 . . . . 88 LEU CD1 . 6985 1 1077 . 1 1 88 88 LEU CD2 C 13 24.733 0.15 . 1 . . . . 88 LEU CD2 . 6985 1 1078 . 1 1 88 88 LEU N N 15 121.274 0.05 . 1 . . . . 88 LEU N . 6985 1 1079 . 1 1 89 89 THR H H 1 8.074 0.01 . 1 . . . . 89 THR HN . 6985 1 1080 . 1 1 89 89 THR HA H 1 3.930 0.01 . 1 . . . . 89 THR HA . 6985 1 1081 . 1 1 89 89 THR HB H 1 4.337 0.01 . 1 . . . . 89 THR HB . 6985 1 1082 . 1 1 89 89 THR HG21 H 1 1.252 0.01 . 1 . . . . 89 THR HG2 . 6985 1 1083 . 1 1 89 89 THR HG22 H 1 1.252 0.01 . 1 . . . . 89 THR HG2 . 6985 1 1084 . 1 1 89 89 THR HG23 H 1 1.252 0.01 . 1 . . . . 89 THR HG2 . 6985 1 1085 . 1 1 89 89 THR C C 13 176.617 0.15 . 1 . . . . 89 THR C . 6985 1 1086 . 1 1 89 89 THR CA C 13 66.618 0.15 . 1 . . . . 89 THR CA . 6985 1 1087 . 1 1 89 89 THR CB C 13 69.044 0.15 . 1 . . . . 89 THR CB . 6985 1 1088 . 1 1 89 89 THR CG2 C 13 21.084 0.15 . 1 . . . . 89 THR CG2 . 6985 1 1089 . 1 1 89 89 THR N N 15 115.656 0.05 . 1 . . . . 89 THR N . 6985 1 1090 . 1 1 90 90 GLU H H 1 7.892 0.01 . 1 . . . . 90 GLU HN . 6985 1 1091 . 1 1 90 90 GLU HA H 1 3.933 0.01 . 1 . . . . 90 GLU HA . 6985 1 1092 . 1 1 90 90 GLU HB2 H 1 1.976 0.01 . 2 . . . . 90 GLU HB2 . 6985 1 1093 . 1 1 90 90 GLU HB3 H 1 2.112 0.01 . 2 . . . . 90 GLU HB3 . 6985 1 1094 . 1 1 90 90 GLU HG2 H 1 2.144 0.01 . 2 . . . . 90 GLU HG2 . 6985 1 1095 . 1 1 90 90 GLU HG3 H 1 2.389 0.01 . 2 . . . . 90 GLU HG3 . 6985 1 1096 . 1 1 90 90 GLU C C 13 178.054 0.15 . 1 . . . . 90 GLU C . 6985 1 1097 . 1 1 90 90 GLU CA C 13 59.345 0.15 . 1 . . . . 90 GLU CA . 6985 1 1098 . 1 1 90 90 GLU CB C 13 29.719 0.15 . 1 . . . . 90 GLU CB . 6985 1 1099 . 1 1 90 90 GLU CG C 13 36.295 0.15 . 1 . . . . 90 GLU CG . 6985 1 1100 . 1 1 90 90 GLU N N 15 121.527 0.05 . 1 . . . . 90 GLU N . 6985 1 1101 . 1 1 91 91 ASN H H 1 8.564 0.01 . 1 . . . . 91 ASN HN . 6985 1 1102 . 1 1 91 91 ASN HA H 1 4.426 0.01 . 1 . . . . 91 ASN HA . 6985 1 1103 . 1 1 91 91 ASN HB2 H 1 2.907 0.01 . 2 . . . . 91 ASN HB2 . 6985 1 1104 . 1 1 91 91 ASN HB3 H 1 3.131 0.01 . 2 . . . . 91 ASN HB3 . 6985 1 1105 . 1 1 91 91 ASN HD21 H 1 7.358 0.01 . 2 . . . . 91 ASN HD21 . 6985 1 1106 . 1 1 91 91 ASN HD22 H 1 7.163 0.01 . 2 . . . . 91 ASN HD22 . 6985 1 1107 . 1 1 91 91 ASN C C 13 177.566 0.15 . 1 . . . . 91 ASN C . 6985 1 1108 . 1 1 91 91 ASN CA C 13 56.869 0.15 . 1 . . . . 91 ASN CA . 6985 1 1109 . 1 1 91 91 ASN CB C 13 39.309 0.15 . 1 . . . . 91 ASN CB . 6985 1 1110 . 1 1 91 91 ASN N N 15 119.212 0.05 . 1 . . . . 91 ASN N . 6985 1 1111 . 1 1 91 91 ASN ND2 N 15 108.490 0.05 . 1 . . . . 91 ASN ND2 . 6985 1 1112 . 1 1 92 92 GLU H H 1 8.356 0.01 . 1 . . . . 92 GLU HN . 6985 1 1113 . 1 1 92 92 GLU HA H 1 3.987 0.01 . 1 . . . . 92 GLU HA . 6985 1 1114 . 1 1 92 92 GLU HB2 H 1 2.160 0.01 . 1 . . . . 92 GLU HB2 . 6985 1 1115 . 1 1 92 92 GLU HB3 H 1 2.042 0.01 . 1 . . . . 92 GLU HB3 . 6985 1 1116 . 1 1 92 92 GLU HG2 H 1 2.267 0.01 . 2 . . . . 92 GLU HG2 . 6985 1 1117 . 1 1 92 92 GLU HG3 H 1 2.389 0.01 . 2 . . . . 92 GLU HG3 . 6985 1 1118 . 1 1 92 92 GLU C C 13 178.730 0.15 . 1 . . . . 92 GLU C . 6985 1 1119 . 1 1 92 92 GLU CA C 13 59.216 0.15 . 1 . . . . 92 GLU CA . 6985 1 1120 . 1 1 92 92 GLU CB C 13 29.492 0.15 . 1 . . . . 92 GLU CB . 6985 1 1121 . 1 1 92 92 GLU CG C 13 36.409 0.15 . 1 . . . . 92 GLU CG . 6985 1 1122 . 1 1 92 92 GLU N N 15 119.188 0.05 . 1 . . . . 92 GLU N . 6985 1 1123 . 1 1 93 93 LEU H H 1 7.571 0.01 . 1 . . . . 93 LEU HN . 6985 1 1124 . 1 1 93 93 LEU HA H 1 4.068 0.01 . 1 . . . . 93 LEU HA . 6985 1 1125 . 1 1 93 93 LEU HB2 H 1 1.699 0.01 . 1 . . . . 93 LEU HB2 . 6985 1 1126 . 1 1 93 93 LEU HB3 H 1 1.496 0.01 . 1 . . . . 93 LEU HB3 . 6985 1 1127 . 1 1 93 93 LEU HG H 1 1.640 0.01 . 1 . . . . 93 LEU HG . 6985 1 1128 . 1 1 93 93 LEU HD11 H 1 0.839 0.01 . 1 . . . . 93 LEU HD1 . 6985 1 1129 . 1 1 93 93 LEU HD12 H 1 0.839 0.01 . 1 . . . . 93 LEU HD1 . 6985 1 1130 . 1 1 93 93 LEU HD13 H 1 0.839 0.01 . 1 . . . . 93 LEU HD1 . 6985 1 1131 . 1 1 93 93 LEU HD21 H 1 0.790 0.01 . 1 . . . . 93 LEU HD2 . 6985 1 1132 . 1 1 93 93 LEU HD22 H 1 0.790 0.01 . 1 . . . . 93 LEU HD2 . 6985 1 1133 . 1 1 93 93 LEU HD23 H 1 0.790 0.01 . 1 . . . . 93 LEU HD2 . 6985 1 1134 . 1 1 93 93 LEU C C 13 179.676 0.15 . 1 . . . . 93 LEU C . 6985 1 1135 . 1 1 93 93 LEU CA C 13 57.653 0.15 . 1 . . . . 93 LEU CA . 6985 1 1136 . 1 1 93 93 LEU CB C 13 41.446 0.15 . 1 . . . . 93 LEU CB . 6985 1 1137 . 1 1 93 93 LEU CG C 13 26.771 0.15 . 1 . . . . 93 LEU CG . 6985 1 1138 . 1 1 93 93 LEU CD1 C 13 24.723 0.15 . 1 . . . . 93 LEU CD1 . 6985 1 1139 . 1 1 93 93 LEU CD2 C 13 23.604 0.15 . 1 . . . . 93 LEU CD2 . 6985 1 1140 . 1 1 93 93 LEU N N 15 120.075 0.05 . 1 . . . . 93 LEU N . 6985 1 1141 . 1 1 94 94 HIS H H 1 7.805 0.01 . 1 . . . . 94 HIS HN . 6985 1 1142 . 1 1 94 94 HIS HA H 1 4.410 0.01 . 1 . . . . 94 HIS HA . 6985 1 1143 . 1 1 94 94 HIS HB2 H 1 2.585 0.01 . 2 . . . . 94 HIS HB2 . 6985 1 1144 . 1 1 94 94 HIS HB3 H 1 2.777 0.01 . 2 . . . . 94 HIS HB3 . 6985 1 1145 . 1 1 94 94 HIS C C 13 177.576 0.15 . 1 . . . . 94 HIS C . 6985 1 1146 . 1 1 94 94 HIS CA C 13 58.094 0.15 . 1 . . . . 94 HIS CA . 6985 1 1147 . 1 1 94 94 HIS CB C 13 29.472 0.15 . 1 . . . . 94 HIS CB . 6985 1 1148 . 1 1 94 94 HIS N N 15 117.215 0.05 . 1 . . . . 94 HIS N . 6985 1 1149 . 1 1 95 95 ARG H H 1 7.906 0.01 . 1 . . . . 95 ARG HN . 6985 1 1150 . 1 1 95 95 ARG HA H 1 4.114 0.01 . 1 . . . . 95 ARG HA . 6985 1 1151 . 1 1 95 95 ARG HB2 H 1 1.870 0.01 . 1 . . . . 95 ARG QB . 6985 1 1152 . 1 1 95 95 ARG HB3 H 1 1.870 0.01 . 1 . . . . 95 ARG QB . 6985 1 1153 . 1 1 95 95 ARG HG2 H 1 1.638 0.01 . 1 . . . . 95 ARG QG . 6985 1 1154 . 1 1 95 95 ARG HG3 H 1 1.638 0.01 . 1 . . . . 95 ARG QG . 6985 1 1155 . 1 1 95 95 ARG HD2 H 1 3.162 0.01 . 1 . . . . 95 ARG QD . 6985 1 1156 . 1 1 95 95 ARG HD3 H 1 3.162 0.01 . 1 . . . . 95 ARG QD . 6985 1 1157 . 1 1 95 95 ARG C C 13 177.856 0.15 . 1 . . . . 95 ARG C . 6985 1 1158 . 1 1 95 95 ARG CA C 13 58.328 0.15 . 1 . . . . 95 ARG CA . 6985 1 1159 . 1 1 95 95 ARG CB C 13 30.631 0.15 . 1 . . . . 95 ARG CB . 6985 1 1160 . 1 1 95 95 ARG CG C 13 27.737 0.15 . 1 . . . . 95 ARG CG . 6985 1 1161 . 1 1 95 95 ARG CD C 13 43.706 0.15 . 1 . . . . 95 ARG CD . 6985 1 1162 . 1 1 95 95 ARG N N 15 118.877 0.05 . 1 . . . . 95 ARG N . 6985 1 1163 . 1 1 96 96 GLN H H 1 7.942 0.01 . 1 . . . . 96 GLN HN . 6985 1 1164 . 1 1 96 96 GLN HA H 1 4.191 0.01 . 1 . . . . 96 GLN HA . 6985 1 1165 . 1 1 96 96 GLN HB2 H 1 2.106 0.01 . 2 . . . . 96 GLN HB2 . 6985 1 1166 . 1 1 96 96 GLN HB3 H 1 2.175 0.01 . 2 . . . . 96 GLN HB3 . 6985 1 1167 . 1 1 96 96 GLN HG2 H 1 2.429 0.01 . 2 . . . . 96 GLN HG2 . 6985 1 1168 . 1 1 96 96 GLN HG3 H 1 2.499 0.01 . 2 . . . . 96 GLN HG3 . 6985 1 1169 . 1 1 96 96 GLN HE21 H 1 7.505 0.01 . 2 . . . . 96 GLN HE21 . 6985 1 1170 . 1 1 96 96 GLN HE22 H 1 6.758 0.01 . 2 . . . . 96 GLN HE22 . 6985 1 1171 . 1 1 96 96 GLN C C 13 176.982 0.15 . 1 . . . . 96 GLN C . 6985 1 1172 . 1 1 96 96 GLN CA C 13 57.059 0.15 . 1 . . . . 96 GLN CA . 6985 1 1173 . 1 1 96 96 GLN CB C 13 28.855 0.15 . 1 . . . . 96 GLN CB . 6985 1 1174 . 1 1 96 96 GLN CG C 13 33.879 0.15 . 1 . . . . 96 GLN CG . 6985 1 1175 . 1 1 96 96 GLN N N 15 118.415 0.05 . 1 . . . . 96 GLN N . 6985 1 1176 . 1 1 96 96 GLN NE2 N 15 111.695 0.05 . 1 . . . . 96 GLN NE2 . 6985 1 1177 . 1 1 97 97 GLN H H 1 7.925 0.01 . 1 . . . . 97 GLN HN . 6985 1 1178 . 1 1 97 97 GLN HA H 1 4.247 0.01 . 1 . . . . 97 GLN HA . 6985 1 1179 . 1 1 97 97 GLN HB2 H 1 2.057 0.01 . 2 . . . . 97 GLN HB2 . 6985 1 1180 . 1 1 97 97 GLN HB3 H 1 2.155 0.01 . 2 . . . . 97 GLN HB3 . 6985 1 1181 . 1 1 97 97 GLN HG2 H 1 2.432 0.01 . 1 . . . . 97 GLN QG . 6985 1 1182 . 1 1 97 97 GLN HG3 H 1 2.432 0.01 . 1 . . . . 97 GLN QG . 6985 1 1183 . 1 1 97 97 GLN HE21 H 1 7.455 0.01 . 2 . . . . 97 GLN HE21 . 6985 1 1184 . 1 1 97 97 GLN HE22 H 1 6.837 0.01 . 2 . . . . 97 GLN HE22 . 6985 1 1185 . 1 1 97 97 GLN C C 13 176.452 0.15 . 1 . . . . 97 GLN C . 6985 1 1186 . 1 1 97 97 GLN CA C 13 56.569 0.15 . 1 . . . . 97 GLN CA . 6985 1 1187 . 1 1 97 97 GLN CB C 13 29.203 0.15 . 1 . . . . 97 GLN CB . 6985 1 1188 . 1 1 97 97 GLN CG C 13 33.913 0.15 . 1 . . . . 97 GLN CG . 6985 1 1189 . 1 1 97 97 GLN N N 15 118.997 0.05 . 1 . . . . 97 GLN N . 6985 1 1190 . 1 1 97 97 GLN NE2 N 15 111.978 0.05 . 1 . . . . 97 GLN NE2 . 6985 1 1191 . 1 1 98 98 GLU H H 1 8.091 0.01 . 1 . . . . 98 GLU HN . 6985 1 1192 . 1 1 98 98 GLU HA H 1 4.230 0.01 . 1 . . . . 98 GLU HA . 6985 1 1193 . 1 1 98 98 GLU HB2 H 1 2.055 0.01 . 1 . . . . 98 GLU QB . 6985 1 1194 . 1 1 98 98 GLU HB3 H 1 2.055 0.01 . 1 . . . . 98 GLU QB . 6985 1 1195 . 1 1 98 98 GLU HG2 H 1 2.264 0.01 . 1 . . . . 98 GLU QG . 6985 1 1196 . 1 1 98 98 GLU HG3 H 1 2.264 0.01 . 1 . . . . 98 GLU QG . 6985 1 1197 . 1 1 98 98 GLU C C 13 176.486 0.15 . 1 . . . . 98 GLU C . 6985 1 1198 . 1 1 98 98 GLU CA C 13 56.997 0.15 . 1 . . . . 98 GLU CA . 6985 1 1199 . 1 1 98 98 GLU CB C 13 30.136 0.15 . 1 . . . . 98 GLU CB . 6985 1 1200 . 1 1 98 98 GLU CG C 13 36.373 0.15 . 1 . . . . 98 GLU CG . 6985 1 1201 . 1 1 98 98 GLU N N 15 120.621 0.05 . 1 . . . . 98 GLU N . 6985 1 1202 . 1 1 99 99 ARG H H 1 8.060 0.01 . 1 . . . . 99 ARG HN . 6985 1 1203 . 1 1 99 99 ARG HA H 1 4.332 0.01 . 1 . . . . 99 ARG HA . 6985 1 1204 . 1 1 99 99 ARG HB2 H 1 1.762 0.01 . 2 . . . . 99 ARG HB2 . 6985 1 1205 . 1 1 99 99 ARG HB3 H 1 1.865 0.01 . 2 . . . . 99 ARG HB3 . 6985 1 1206 . 1 1 99 99 ARG HG2 H 1 1.656 0.01 . 1 . . . . 99 ARG QG . 6985 1 1207 . 1 1 99 99 ARG HG3 H 1 1.656 0.01 . 1 . . . . 99 ARG QG . 6985 1 1208 . 1 1 99 99 ARG HD2 H 1 3.187 0.01 . 1 . . . . 99 ARG QD . 6985 1 1209 . 1 1 99 99 ARG HD3 H 1 3.187 0.01 . 1 . . . . 99 ARG QD . 6985 1 1210 . 1 1 99 99 ARG C C 13 175.713 0.15 . 1 . . . . 99 ARG C . 6985 1 1211 . 1 1 99 99 ARG CA C 13 55.865 0.15 . 1 . . . . 99 ARG CA . 6985 1 1212 . 1 1 99 99 ARG CB C 13 30.904 0.15 . 1 . . . . 99 ARG CB . 6985 1 1213 . 1 1 99 99 ARG CG C 13 27.110 0.15 . 1 . . . . 99 ARG CG . 6985 1 1214 . 1 1 99 99 ARG CD C 13 43.437 0.15 . 1 . . . . 99 ARG CD . 6985 1 1215 . 1 1 99 99 ARG N N 15 120.875 0.05 . 1 . . . . 99 ARG N . 6985 1 1216 . 1 1 100 100 ALA H H 1 8.156 0.01 . 1 . . . . 100 ALA HN . 6985 1 1217 . 1 1 100 100 ALA HA H 1 4.576 0.01 . 1 . . . . 100 ALA HA . 6985 1 1218 . 1 1 100 100 ALA HB1 H 1 1.365 0.01 . 1 . . . . 100 ALA HB . 6985 1 1219 . 1 1 100 100 ALA HB2 H 1 1.365 0.01 . 1 . . . . 100 ALA HB . 6985 1 1220 . 1 1 100 100 ALA HB3 H 1 1.365 0.01 . 1 . . . . 100 ALA HB . 6985 1 1221 . 1 1 100 100 ALA CA C 13 50.790 0.15 . 1 . . . . 100 ALA CA . 6985 1 1222 . 1 1 100 100 ALA CB C 13 18.130 0.15 . 1 . . . . 100 ALA CB . 6985 1 1223 . 1 1 100 100 ALA N N 15 126.072 0.05 . 1 . . . . 100 ALA N . 6985 1 1224 . 1 1 101 101 PRO HA H 1 4.429 0.01 . 1 . . . . 101 PRO HA . 6985 1 1225 . 1 1 101 101 PRO HB2 H 1 1.904 0.01 . 2 . . . . 101 PRO HB2 . 6985 1 1226 . 1 1 101 101 PRO HB3 H 1 2.281 0.01 . 2 . . . . 101 PRO HB3 . 6985 1 1227 . 1 1 101 101 PRO HG2 H 1 2.013 0.01 . 1 . . . . 101 PRO QG . 6985 1 1228 . 1 1 101 101 PRO HG3 H 1 2.013 0.01 . 1 . . . . 101 PRO QG . 6985 1 1229 . 1 1 101 101 PRO HD2 H 1 3.765 0.01 . 2 . . . . 101 PRO HD1 . 6985 1 1230 . 1 1 101 101 PRO HD3 H 1 3.624 0.01 . 2 . . . . 101 PRO HD2 . 6985 1 1231 . 1 1 101 101 PRO C C 13 176.995 0.15 . 1 . . . . 101 PRO C . 6985 1 1232 . 1 1 101 101 PRO CA C 13 63.148 0.15 . 1 . . . . 101 PRO CA . 6985 1 1233 . 1 1 101 101 PRO CB C 13 31.948 0.15 . 1 . . . . 101 PRO CB . 6985 1 1234 . 1 1 101 101 PRO CG C 13 27.399 0.15 . 1 . . . . 101 PRO CG . 6985 1 1235 . 1 1 101 101 PRO CD C 13 50.439 0.15 . 1 . . . . 101 PRO CD . 6985 1 1236 . 1 1 102 102 LEU H H 1 8.250 0.01 . 1 . . . . 102 LEU HN . 6985 1 1237 . 1 1 102 102 LEU HA H 1 4.314 0.01 . 1 . . . . 102 LEU HA . 6985 1 1238 . 1 1 102 102 LEU HB2 H 1 1.587 0.01 . 2 . . . . 102 LEU HB2 . 6985 1 1239 . 1 1 102 102 LEU HB3 H 1 1.644 0.01 . 2 . . . . 102 LEU HB3 . 6985 1 1240 . 1 1 102 102 LEU HG H 1 1.652 0.01 . 1 . . . . 102 LEU HG . 6985 1 1241 . 1 1 102 102 LEU HD11 H 1 0.923 0.01 . 1 . . . . 102 LEU HD1 . 6985 1 1242 . 1 1 102 102 LEU HD12 H 1 0.923 0.01 . 1 . . . . 102 LEU HD1 . 6985 1 1243 . 1 1 102 102 LEU HD13 H 1 0.923 0.01 . 1 . . . . 102 LEU HD1 . 6985 1 1244 . 1 1 102 102 LEU HD21 H 1 0.874 0.01 . 1 . . . . 102 LEU HD2 . 6985 1 1245 . 1 1 102 102 LEU HD22 H 1 0.874 0.01 . 1 . . . . 102 LEU HD2 . 6985 1 1246 . 1 1 102 102 LEU HD23 H 1 0.874 0.01 . 1 . . . . 102 LEU HD2 . 6985 1 1247 . 1 1 102 102 LEU C C 13 177.536 0.15 . 1 . . . . 102 LEU C . 6985 1 1248 . 1 1 102 102 LEU CA C 13 55.321 0.15 . 1 . . . . 102 LEU CA . 6985 1 1249 . 1 1 102 102 LEU CB C 13 42.305 0.15 . 1 . . . . 102 LEU CB . 6985 1 1250 . 1 1 102 102 LEU CG C 13 27.022 0.15 . 1 . . . . 102 LEU CG . 6985 1 1251 . 1 1 102 102 LEU CD1 C 13 24.921 0.15 . 2 . . . . 102 LEU CD1 . 6985 1 1252 . 1 1 102 102 LEU CD2 C 13 23.621 0.15 . 2 . . . . 102 LEU CD2 . 6985 1 1253 . 1 1 102 102 LEU N N 15 121.658 0.05 . 1 . . . . 102 LEU N . 6985 1 1254 . 1 1 103 103 SER H H 1 8.170 0.01 . 1 . . . . 103 SER HN . 6985 1 1255 . 1 1 103 103 SER HA H 1 4.400 0.01 . 1 . . . . 103 SER HA . 6985 1 1256 . 1 1 103 103 SER HB2 H 1 3.789 0.01 . 2 . . . . 103 SER HB2 . 6985 1 1257 . 1 1 103 103 SER HB3 H 1 3.826 0.01 . 2 . . . . 103 SER HB3 . 6985 1 1258 . 1 1 103 103 SER C C 13 174.261 0.15 . 1 . . . . 103 SER C . 6985 1 1259 . 1 1 103 103 SER CA C 13 58.131 0.15 . 1 . . . . 103 SER CA . 6985 1 1260 . 1 1 103 103 SER CB C 13 63.957 0.15 . 1 . . . . 103 SER CB . 6985 1 1261 . 1 1 103 103 SER N N 15 116.283 0.05 . 1 . . . . 103 SER N . 6985 1 1262 . 1 1 104 104 LYS H H 1 8.178 0.01 . 1 . . . . 104 LYS HN . 6985 1 1263 . 1 1 104 104 LYS HA H 1 4.263 0.01 . 1 . . . . 104 LYS HA . 6985 1 1264 . 1 1 104 104 LYS HB2 H 1 1.610 0.01 . 2 . . . . 104 LYS HB2 . 6985 1 1265 . 1 1 104 104 LYS HB3 H 1 1.679 0.01 . 2 . . . . 104 LYS HB3 . 6985 1 1266 . 1 1 104 104 LYS HG2 H 1 1.250 0.01 . 1 . . . . 104 LYS QG . 6985 1 1267 . 1 1 104 104 LYS HG3 H 1 1.250 0.01 . 1 . . . . 104 LYS QG . 6985 1 1268 . 1 1 104 104 LYS HD2 H 1 1.597 0.01 . 1 . . . . 104 LYS QD . 6985 1 1269 . 1 1 104 104 LYS HD3 H 1 1.597 0.01 . 1 . . . . 104 LYS QD . 6985 1 1270 . 1 1 104 104 LYS HE2 H 1 2.932 0.01 . 1 . . . . 104 LYS QE . 6985 1 1271 . 1 1 104 104 LYS HE3 H 1 2.932 0.01 . 1 . . . . 104 LYS QE . 6985 1 1272 . 1 1 104 104 LYS C C 13 176.036 0.15 . 1 . . . . 104 LYS C . 6985 1 1273 . 1 1 104 104 LYS CA C 13 56.299 0.15 . 1 . . . . 104 LYS CA . 6985 1 1274 . 1 1 104 104 LYS CB C 13 33.095 0.15 . 1 . . . . 104 LYS CB . 6985 1 1275 . 1 1 104 104 LYS CG C 13 24.420 0.15 . 1 . . . . 104 LYS CG . 6985 1 1276 . 1 1 104 104 LYS CD C 13 29.036 0.15 . 1 . . . . 104 LYS CD . 6985 1 1277 . 1 1 104 104 LYS CE C 13 42.144 0.15 . 1 . . . . 104 LYS CE . 6985 1 1278 . 1 1 104 104 LYS N N 15 122.990 0.05 . 1 . . . . 104 LYS N . 6985 1 1279 . 1 1 105 105 PHE H H 1 8.233 0.01 . 1 . . . . 105 PHE HN . 6985 1 1280 . 1 1 105 105 PHE HA H 1 4.645 0.01 . 1 . . . . 105 PHE HA . 6985 1 1281 . 1 1 105 105 PHE HB2 H 1 2.978 0.01 . 2 . . . . 105 PHE HB2 . 6985 1 1282 . 1 1 105 105 PHE HB3 H 1 3.190 0.01 . 2 . . . . 105 PHE HB3 . 6985 1 1283 . 1 1 105 105 PHE C C 13 176.032 0.15 . 1 . . . . 105 PHE C . 6985 1 1284 . 1 1 105 105 PHE CA C 13 57.754 0.15 . 1 . . . . 105 PHE CA . 6985 1 1285 . 1 1 105 105 PHE CB C 13 39.641 0.15 . 1 . . . . 105 PHE CB . 6985 1 1286 . 1 1 105 105 PHE N N 15 121.125 0.05 . 1 . . . . 105 PHE N . 6985 1 1287 . 1 1 106 106 GLY H H 1 8.152 0.01 . 1 . . . . 106 GLY HN . 6985 1 1288 . 1 1 106 106 GLY HA2 H 1 3.829 0.01 . 2 . . . . 106 GLY HA2 . 6985 1 1289 . 1 1 106 106 GLY HA3 H 1 3.973 0.01 . 2 . . . . 106 GLY HA3 . 6985 1 1290 . 1 1 106 106 GLY C C 13 172.840 0.15 . 1 . . . . 106 GLY C . 6985 1 1291 . 1 1 106 106 GLY CA C 13 45.247 0.15 . 1 . . . . 106 GLY CA . 6985 1 1292 . 1 1 106 106 GLY N N 15 111.182 0.05 . 1 . . . . 106 GLY N . 6985 1 1293 . 1 1 107 107 ASP H H 1 7.828 0.01 . 1 . . . . 107 ASP HN . 6985 1 1294 . 1 1 107 107 ASP HA H 1 4.407 0.01 . 1 . . . . 107 ASP HA . 6985 1 1295 . 1 1 107 107 ASP HB2 H 1 2.534 0.01 . 2 . . . . 107 ASP HB2 . 6985 1 1296 . 1 1 107 107 ASP HB3 H 1 2.666 0.01 . 2 . . . . 107 ASP HB3 . 6985 1 1297 . 1 1 107 107 ASP CA C 13 55.854 0.15 . 1 . . . . 107 ASP CA . 6985 1 1298 . 1 1 107 107 ASP CB C 13 42.367 0.15 . 1 . . . . 107 ASP CB . 6985 1 1299 . 1 1 107 107 ASP N N 15 125.887 0.05 . 1 . . . . 107 ASP N . 6985 1 stop_ save_