data_18845 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18845 _Entry.Title ; SUP-12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-19 _Entry.Accession_date 2012-11-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'RRM domain from C. elegans SUP-12' _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 Samir Amrane . . . 18845 2 Cameron Mackereth . D. . 18845 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18845 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 18845 '15N chemical shifts' 99 18845 '1H chemical shifts' 668 18845 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 . . 2013-12-06 2012-11-19 update BMRB 'update related entry' 18845 1 . . 2013-01-29 2012-11-19 original author 'original release' 18845 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18846 Sup12-RNA 18845 PDB 4CH0 Sup12 18845 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18845 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23334698 _Citation.Full_citation . _Citation.Title 'Protein chemical shift assignments of the unbound and RNA-bound forms of the alternative splicing factor SUP-12 from C. elegans.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _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 Samir Amrane . . . 18845 1 2 Cameron Mackereth . D. . 18845 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alternative splicing' 18845 1 muscle 18845 1 nematode 18845 1 RNA 18845 1 RRM 18845 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18845 _Assembly.ID 1 _Assembly.Name SUP-12 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10815.1 _Assembly.Enzyme_commission_number . _Assembly.Details 'RRM domain from C. elegans SUP-12' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SUP-12 1 $SUP-12 A . yes native no no . . . 18845 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SUP-12 _Entity.Sf_category entity _Entity.Sf_framecode SUP-12 _Entity.Entry_ID 18845 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SUP-12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGSRDTMFTKIFVGGLPY HTSDKTLHEYFEQFGDIEEA VVITDRNTQKSRGYGFVTMK DRASAERACKDPNPIIDGRK ANVNLAYLGAKPRTNVQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence represents residues 25 to 121' _Entity.Polymer_author_seq_details 'The N-terminal Gly-Ala-Met remains following removal of the His6-tag by TEV potease' _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RRM domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10815.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O45189 . "Protein SUP-12, isoform a" . . . . . . . . . . . . . . 18845 1 2 yes UNP H2L051 . "Protein SUP-12, isoform b" . . . . . . . . . . . . . . 18845 1 3 no BMRB 11541 . entity_1 . . . . . 97.94 103 98.95 100.00 3.19e-63 . . . . 18845 1 4 no BMRB 18846 . SUP-12 . . . . . 100.00 97 100.00 100.00 2.31e-65 . . . . 18845 1 5 no BMRB 19653 . PROTEIN_SUP-12_ISOFORM_B . . . . . 100.00 97 100.00 100.00 2.31e-65 . . . . 18845 1 6 no PDB 2MGZ . "Solution Structure Of Rbfox Family Asd-1 Rrm And Sup-12 Rrm In Ternary Complex With Rna" . . . . . 97.94 105 98.95 100.00 2.91e-63 . . . . 18845 1 7 no PDB 2RU3 . "Solution Structure Of C.elegans Sup-12 Rrm In Complex With Rna" . . . . . 97.94 103 98.95 100.00 3.19e-63 . . . . 18845 1 8 no PDB 4CH0 . "Rrm Domain From C. Elegans Sup-12" . . . . . 100.00 97 100.00 100.00 2.31e-65 . . . . 18845 1 9 no PDB 4CH1 . "Rrm Domain From C. Elegans Sup-12 Bound To Ggtgtgc Dna" . . . . . 100.00 97 100.00 100.00 2.31e-65 . . . . 18845 1 10 no PDB 4CIO . "Rrm Domain From C. Elegans Sup-12 Bound To Ggugugc Rna" . . . . . 100.00 97 100.00 100.00 2.31e-65 . . . . 18845 1 11 no EMBL CCD71425 . "SUPpressor [Caenorhabditis elegans]" . . . . . 97.94 248 98.95 100.00 2.33e-63 . . . . 18845 1 12 no EMBL CCD71429 . "SUPpressor [Caenorhabditis elegans]" . . . . . 97.94 151 98.95 100.00 1.14e-63 . . . . 18845 1 13 no GB KIH66793 . "hypothetical protein ANCDUO_02881 [Ancylostoma duodenale]" . . . . . 91.75 170 97.75 98.88 3.04e-57 . . . . 18845 1 14 no REF NP_001129938 . "SUPpressor [Caenorhabditis elegans]" . . . . . 97.94 151 98.95 100.00 1.14e-63 . . . . 18845 1 15 no REF NP_508674 . "SUPpressor [Caenorhabditis elegans]" . . . . . 97.94 248 98.95 100.00 2.33e-63 . . . . 18845 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Alternative splicing factor' 18845 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 25 GLY . 18845 1 2 26 ALA . 18845 1 3 27 MET . 18845 1 4 28 GLY . 18845 1 5 29 SER . 18845 1 6 30 ARG . 18845 1 7 31 ASP . 18845 1 8 32 THR . 18845 1 9 33 MET . 18845 1 10 34 PHE . 18845 1 11 35 THR . 18845 1 12 36 LYS . 18845 1 13 37 ILE . 18845 1 14 38 PHE . 18845 1 15 39 VAL . 18845 1 16 40 GLY . 18845 1 17 41 GLY . 18845 1 18 42 LEU . 18845 1 19 43 PRO . 18845 1 20 44 TYR . 18845 1 21 45 HIS . 18845 1 22 46 THR . 18845 1 23 47 SER . 18845 1 24 48 ASP . 18845 1 25 49 LYS . 18845 1 26 50 THR . 18845 1 27 51 LEU . 18845 1 28 52 HIS . 18845 1 29 53 GLU . 18845 1 30 54 TYR . 18845 1 31 55 PHE . 18845 1 32 56 GLU . 18845 1 33 57 GLN . 18845 1 34 58 PHE . 18845 1 35 59 GLY . 18845 1 36 60 ASP . 18845 1 37 61 ILE . 18845 1 38 62 GLU . 18845 1 39 63 GLU . 18845 1 40 64 ALA . 18845 1 41 65 VAL . 18845 1 42 66 VAL . 18845 1 43 67 ILE . 18845 1 44 68 THR . 18845 1 45 69 ASP . 18845 1 46 70 ARG . 18845 1 47 71 ASN . 18845 1 48 72 THR . 18845 1 49 73 GLN . 18845 1 50 74 LYS . 18845 1 51 75 SER . 18845 1 52 76 ARG . 18845 1 53 77 GLY . 18845 1 54 78 TYR . 18845 1 55 79 GLY . 18845 1 56 80 PHE . 18845 1 57 81 VAL . 18845 1 58 82 THR . 18845 1 59 83 MET . 18845 1 60 84 LYS . 18845 1 61 85 ASP . 18845 1 62 86 ARG . 18845 1 63 87 ALA . 18845 1 64 88 SER . 18845 1 65 89 ALA . 18845 1 66 90 GLU . 18845 1 67 91 ARG . 18845 1 68 92 ALA . 18845 1 69 93 CYS . 18845 1 70 94 LYS . 18845 1 71 95 ASP . 18845 1 72 96 PRO . 18845 1 73 97 ASN . 18845 1 74 98 PRO . 18845 1 75 99 ILE . 18845 1 76 100 ILE . 18845 1 77 101 ASP . 18845 1 78 102 GLY . 18845 1 79 103 ARG . 18845 1 80 104 LYS . 18845 1 81 105 ALA . 18845 1 82 106 ASN . 18845 1 83 107 VAL . 18845 1 84 108 ASN . 18845 1 85 109 LEU . 18845 1 86 110 ALA . 18845 1 87 111 TYR . 18845 1 88 112 LEU . 18845 1 89 113 GLY . 18845 1 90 114 ALA . 18845 1 91 115 LYS . 18845 1 92 116 PRO . 18845 1 93 117 ARG . 18845 1 94 118 THR . 18845 1 95 119 ASN . 18845 1 96 120 VAL . 18845 1 97 121 GLN . 18845 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 18845 1 . ALA 2 2 18845 1 . MET 3 3 18845 1 . GLY 4 4 18845 1 . SER 5 5 18845 1 . ARG 6 6 18845 1 . ASP 7 7 18845 1 . THR 8 8 18845 1 . MET 9 9 18845 1 . PHE 10 10 18845 1 . THR 11 11 18845 1 . LYS 12 12 18845 1 . ILE 13 13 18845 1 . PHE 14 14 18845 1 . VAL 15 15 18845 1 . GLY 16 16 18845 1 . GLY 17 17 18845 1 . LEU 18 18 18845 1 . PRO 19 19 18845 1 . TYR 20 20 18845 1 . HIS 21 21 18845 1 . THR 22 22 18845 1 . SER 23 23 18845 1 . ASP 24 24 18845 1 . LYS 25 25 18845 1 . THR 26 26 18845 1 . LEU 27 27 18845 1 . HIS 28 28 18845 1 . GLU 29 29 18845 1 . TYR 30 30 18845 1 . PHE 31 31 18845 1 . GLU 32 32 18845 1 . GLN 33 33 18845 1 . PHE 34 34 18845 1 . GLY 35 35 18845 1 . ASP 36 36 18845 1 . ILE 37 37 18845 1 . GLU 38 38 18845 1 . GLU 39 39 18845 1 . ALA 40 40 18845 1 . VAL 41 41 18845 1 . VAL 42 42 18845 1 . ILE 43 43 18845 1 . THR 44 44 18845 1 . ASP 45 45 18845 1 . ARG 46 46 18845 1 . ASN 47 47 18845 1 . THR 48 48 18845 1 . GLN 49 49 18845 1 . LYS 50 50 18845 1 . SER 51 51 18845 1 . ARG 52 52 18845 1 . GLY 53 53 18845 1 . TYR 54 54 18845 1 . GLY 55 55 18845 1 . PHE 56 56 18845 1 . VAL 57 57 18845 1 . THR 58 58 18845 1 . MET 59 59 18845 1 . LYS 60 60 18845 1 . ASP 61 61 18845 1 . ARG 62 62 18845 1 . ALA 63 63 18845 1 . SER 64 64 18845 1 . ALA 65 65 18845 1 . GLU 66 66 18845 1 . ARG 67 67 18845 1 . ALA 68 68 18845 1 . CYS 69 69 18845 1 . LYS 70 70 18845 1 . ASP 71 71 18845 1 . PRO 72 72 18845 1 . ASN 73 73 18845 1 . PRO 74 74 18845 1 . ILE 75 75 18845 1 . ILE 76 76 18845 1 . ASP 77 77 18845 1 . GLY 78 78 18845 1 . ARG 79 79 18845 1 . LYS 80 80 18845 1 . ALA 81 81 18845 1 . ASN 82 82 18845 1 . VAL 83 83 18845 1 . ASN 84 84 18845 1 . LEU 85 85 18845 1 . ALA 86 86 18845 1 . TYR 87 87 18845 1 . LEU 88 88 18845 1 . GLY 89 89 18845 1 . ALA 90 90 18845 1 . LYS 91 91 18845 1 . PRO 92 92 18845 1 . ARG 93 93 18845 1 . THR 94 94 18845 1 . ASN 95 95 18845 1 . VAL 96 96 18845 1 . GLN 97 97 18845 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 18845 _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 $SUP-12 . 6239 organism . 'Caenorhabditis elegans' Nematode . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . sup-12 . . . . 18845 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 18845 _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 $SUP-12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli pLysY . . . . . . . . . . . . . . . pET-His1a . . . . . . 18845 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18845 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUP-12 '[U-99% 15N]' . . 1 $SUP-12 . . 0.8 . . mM . . . . 18845 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18845 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 18845 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18845 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18845 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18845 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUP-12 '[U-99% 15N]' . . 1 $SUP-12 . . 0.8 . . mM . . . . 18845 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18845 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 18845 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18845 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18845 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUP-12 '[U-99% 13C; U-99% 15N]' . . 1 $SUP-12 . . 0.8 . . mM . . . . 18845 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18845 3 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 18845 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18845 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18845 3 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 18845 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUP-12 '[U-10% 13C; U-99% 15N]' . . 1 $SUP-12 . . 0.8 . . mM . . . . 18845 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18845 4 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 18845 4 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18845 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18845 4 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 18845 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUP-12 '[U-99% 13C; U-99% 15N; U-99% 2H; U-99% 1H ILV]' . . 1 $SUP-12 . . 0.4 . . mM . . . . 18845 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18845 5 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 18845 5 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18845 5 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18845 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUP-12 '[U-99% 13C; U-99% 15N]' . . 1 $SUP-12 . . 0.8 . . mM . . . . 18845 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18845 6 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 18845 6 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18845 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18845 _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 'ionic strength' 320 . mM 18845 1 pH 6.5 . pH 18845 1 pressure 1 . atm 18845 1 temperature 298 . K 18845 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18845 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18845 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18845 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18845 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18845 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18845 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18845 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18845 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18845 3 'data analysis' 18845 3 'peak picking' 18845 3 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 18845 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm PATXI 1H-13C/15N/D Z-GRD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18845 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 '5 mm PATXI 1H-13C/15N/D Z-GRD' . . 18845 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18845 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 6 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 6 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 4 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 5 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 6 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 7 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 8 '3D HCACO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 6 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 11 '3D H(C)CH-TOCSY' no . . . . . . . . . . 6 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 12 '3D CBHD' no . . . . . . . . . . 6 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 13 '3D CBHE' no . . . . . . . . . . 6 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 14 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 15 '2D 1H-13C HSQC CT' no . . . . . . . . . . 4 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 16 '2D 1H-13C HSQC CT' no . . . . . . . . . . 5 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18845 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18845 _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 . indirect 0.251449530 . . . . . . . . . 18845 1 H 1 water protons . . . . ppm 4.802 internal direct 1 . . . . . . . . . 18845 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 18845 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18845 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18845 1 2 '2D 1H-13C HSQC aliphatic' . . . 18845 1 3 '2D 1H-13C HSQC aromatic' . . . 18845 1 4 '3D HNCO' . . . 18845 1 5 '3D HNCA' . . . 18845 1 6 '3D HNCACB' . . . 18845 1 7 '3D HN(CA)CO' . . . 18845 1 8 '3D HCACO' . . . 18845 1 9 '3D CBCA(CO)NH' . . . 18845 1 10 '3D (H)CCH-TOCSY' . . . 18845 1 11 '3D H(C)CH-TOCSY' . . . 18845 1 12 '3D CBHD' . . . 18845 1 13 '3D CBHE' . . . 18845 1 14 '2D DQF-COSY' . . . 18845 1 15 '2D 1H-13C HSQC CT' . . . 18845 1 16 '2D 1H-13C HSQC CT' . . . 18845 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.860 0.020 . 1 . . . . 25 GLY HA2 . 18845 1 2 . 1 1 1 1 GLY HA3 H 1 3.860 0.020 . 1 . . . . 25 GLY HA3 . 18845 1 3 . 1 1 1 1 GLY CA C 13 43.100 0.200 . 1 . . . . 25 GLY CA . 18845 1 4 . 1 1 2 2 ALA HA H 1 4.370 0.020 . 1 . . . . 26 ALA HA . 18845 1 5 . 1 1 2 2 ALA HB1 H 1 1.410 0.020 . 1 . . . . 26 ALA MB . 18845 1 6 . 1 1 2 2 ALA HB2 H 1 1.410 0.020 . 1 . . . . 26 ALA MB . 18845 1 7 . 1 1 2 2 ALA HB3 H 1 1.410 0.020 . 1 . . . . 26 ALA MB . 18845 1 8 . 1 1 2 2 ALA C C 13 177.780 0.200 . 1 . . . . 26 ALA C . 18845 1 9 . 1 1 2 2 ALA CA C 13 52.610 0.200 . 1 . . . . 26 ALA CA . 18845 1 10 . 1 1 2 2 ALA CB C 13 19.310 0.200 . 1 . . . . 26 ALA CB . 18845 1 11 . 1 1 3 3 MET H H 1 8.590 0.020 . 1 . . . . 27 MET HN . 18845 1 12 . 1 1 3 3 MET HA H 1 4.490 0.020 . 1 . . . . 27 MET HA . 18845 1 13 . 1 1 3 3 MET HB2 H 1 2.110 0.020 . 2 . . . . 27 MET HB2 . 18845 1 14 . 1 1 3 3 MET HB3 H 1 2.050 0.020 . 2 . . . . 27 MET HB3 . 18845 1 15 . 1 1 3 3 MET HG2 H 1 2.570 0.020 . 2 . . . . 27 MET HG2 . 18845 1 16 . 1 1 3 3 MET HG3 H 1 2.640 0.020 . 2 . . . . 27 MET HG3 . 18845 1 17 . 1 1 3 3 MET HE1 H 1 2.100 0.020 . 1 . . . . 27 MET ME . 18845 1 18 . 1 1 3 3 MET HE2 H 1 2.100 0.020 . 1 . . . . 27 MET ME . 18845 1 19 . 1 1 3 3 MET HE3 H 1 2.100 0.020 . 1 . . . . 27 MET ME . 18845 1 20 . 1 1 3 3 MET C C 13 176.640 0.200 . 1 . . . . 27 MET C . 18845 1 21 . 1 1 3 3 MET CA C 13 55.640 0.200 . 1 . . . . 27 MET CA . 18845 1 22 . 1 1 3 3 MET CB C 13 32.720 0.200 . 1 . . . . 27 MET CB . 18845 1 23 . 1 1 3 3 MET CG C 13 32.000 0.200 . 1 . . . . 27 MET CG . 18845 1 24 . 1 1 3 3 MET CE C 13 16.950 0.200 . 1 . . . . 27 MET CE . 18845 1 25 . 1 1 3 3 MET N N 15 120.060 0.200 . 1 . . . . 27 MET N . 18845 1 26 . 1 1 4 4 GLY H H 1 8.450 0.020 . 1 . . . . 28 GLY HN . 18845 1 27 . 1 1 4 4 GLY HA2 H 1 3.990 0.020 . 1 . . . . 28 GLY HA2 . 18845 1 28 . 1 1 4 4 GLY HA3 H 1 3.990 0.020 . 1 . . . . 28 GLY HA3 . 18845 1 29 . 1 1 4 4 GLY C C 13 174.020 0.200 . 1 . . . . 28 GLY C . 18845 1 30 . 1 1 4 4 GLY CA C 13 45.160 0.200 . 1 . . . . 28 GLY CA . 18845 1 31 . 1 1 4 4 GLY N N 15 110.530 0.200 . 1 . . . . 28 GLY N . 18845 1 32 . 1 1 5 5 SER H H 1 8.270 0.020 . 1 . . . . 29 SER HN . 18845 1 33 . 1 1 5 5 SER HA H 1 4.430 0.020 . 1 . . . . 29 SER HA . 18845 1 34 . 1 1 5 5 SER HB2 H 1 3.860 0.020 . 2 . . . . 29 SER HB2 . 18845 1 35 . 1 1 5 5 SER HB3 H 1 3.900 0.020 . 2 . . . . 29 SER HB3 . 18845 1 36 . 1 1 5 5 SER C C 13 174.650 0.200 . 1 . . . . 29 SER C . 18845 1 37 . 1 1 5 5 SER CA C 13 58.400 0.200 . 1 . . . . 29 SER CA . 18845 1 38 . 1 1 5 5 SER CB C 13 63.770 0.200 . 1 . . . . 29 SER CB . 18845 1 39 . 1 1 5 5 SER N N 15 115.980 0.200 . 1 . . . . 29 SER N . 18845 1 40 . 1 1 6 6 ARG H H 1 8.460 0.020 . 1 . . . . 30 ARG HN . 18845 1 41 . 1 1 6 6 ARG HA H 1 4.300 0.020 . 1 . . . . 30 ARG HA . 18845 1 42 . 1 1 6 6 ARG HB2 H 1 1.790 0.020 . 2 . . . . 30 ARG HB2 . 18845 1 43 . 1 1 6 6 ARG HB3 H 1 1.870 0.020 . 2 . . . . 30 ARG HB3 . 18845 1 44 . 1 1 6 6 ARG HG2 H 1 1.650 0.020 . 2 . . . . 30 ARG HG2 . 18845 1 45 . 1 1 6 6 ARG HG3 H 1 1.600 0.020 . 2 . . . . 30 ARG HG3 . 18845 1 46 . 1 1 6 6 ARG HD2 H 1 3.200 0.020 . 1 . . . . 30 ARG HD2 . 18845 1 47 . 1 1 6 6 ARG HD3 H 1 3.200 0.020 . 1 . . . . 30 ARG HD3 . 18845 1 48 . 1 1 6 6 ARG C C 13 176.080 0.200 . 1 . . . . 30 ARG C . 18845 1 49 . 1 1 6 6 ARG CA C 13 56.470 0.200 . 1 . . . . 30 ARG CA . 18845 1 50 . 1 1 6 6 ARG CB C 13 30.570 0.200 . 1 . . . . 30 ARG CB . 18845 1 51 . 1 1 6 6 ARG CG C 13 27.250 0.200 . 1 . . . . 30 ARG CG . 18845 1 52 . 1 1 6 6 ARG CD C 13 43.250 0.200 . 1 . . . . 30 ARG CD . 18845 1 53 . 1 1 6 6 ARG N N 15 123.000 0.200 . 1 . . . . 30 ARG N . 18845 1 54 . 1 1 7 7 ASP H H 1 8.370 0.020 . 1 . . . . 31 ASP HN . 18845 1 55 . 1 1 7 7 ASP HA H 1 4.630 0.020 . 1 . . . . 31 ASP HA . 18845 1 56 . 1 1 7 7 ASP HB2 H 1 2.800 0.020 . 2 . . . . 31 ASP HB2 . 18845 1 57 . 1 1 7 7 ASP HB3 H 1 2.660 0.020 . 2 . . . . 31 ASP HB3 . 18845 1 58 . 1 1 7 7 ASP C C 13 177.300 0.200 . 1 . . . . 31 ASP C . 18845 1 59 . 1 1 7 7 ASP CA C 13 54.800 0.200 . 1 . . . . 31 ASP CA . 18845 1 60 . 1 1 7 7 ASP CB C 13 41.210 0.200 . 1 . . . . 31 ASP CB . 18845 1 61 . 1 1 7 7 ASP N N 15 121.300 0.200 . 1 . . . . 31 ASP N . 18845 1 62 . 1 1 8 8 THR H H 1 8.090 0.020 . 1 . . . . 32 THR HN . 18845 1 63 . 1 1 8 8 THR HA H 1 4.580 0.020 . 1 . . . . 32 THR HA . 18845 1 64 . 1 1 8 8 THR HB H 1 4.510 0.020 . 1 . . . . 32 THR HB . 18845 1 65 . 1 1 8 8 THR HG21 H 1 1.090 0.020 . 1 . . . . 32 THR MG . 18845 1 66 . 1 1 8 8 THR HG22 H 1 1.090 0.020 . 1 . . . . 32 THR MG . 18845 1 67 . 1 1 8 8 THR HG23 H 1 1.090 0.020 . 1 . . . . 32 THR MG . 18845 1 68 . 1 1 8 8 THR C C 13 175.500 0.200 . 1 . . . . 32 THR C . 18845 1 69 . 1 1 8 8 THR CA C 13 61.220 0.200 . 1 . . . . 32 THR CA . 18845 1 70 . 1 1 8 8 THR CB C 13 68.900 0.200 . 1 . . . . 32 THR CB . 18845 1 71 . 1 1 8 8 THR CG2 C 13 21.110 0.200 . 1 . . . . 32 THR CG2 . 18845 1 72 . 1 1 8 8 THR N N 15 113.130 0.200 . 1 . . . . 32 THR N . 18845 1 73 . 1 1 9 9 MET H H 1 8.070 0.020 . 1 . . . . 33 MET HN . 18845 1 74 . 1 1 9 9 MET HA H 1 3.860 0.020 . 1 . . . . 33 MET HA . 18845 1 75 . 1 1 9 9 MET HB2 H 1 1.820 0.020 . 2 . . . . 33 MET HB2 . 18845 1 76 . 1 1 9 9 MET HB3 H 1 1.400 0.020 . 2 . . . . 33 MET HB3 . 18845 1 77 . 1 1 9 9 MET HG2 H 1 1.250 0.020 . 2 . . . . 33 MET HG2 . 18845 1 78 . 1 1 9 9 MET HG3 H 1 1.530 0.020 . 2 . . . . 33 MET HG3 . 18845 1 79 . 1 1 9 9 MET HE1 H 1 1.590 0.020 . 1 . . . . 33 MET ME . 18845 1 80 . 1 1 9 9 MET HE2 H 1 1.590 0.020 . 1 . . . . 33 MET ME . 18845 1 81 . 1 1 9 9 MET HE3 H 1 1.590 0.020 . 1 . . . . 33 MET ME . 18845 1 82 . 1 1 9 9 MET C C 13 177.040 0.200 . 1 . . . . 33 MET C . 18845 1 83 . 1 1 9 9 MET CA C 13 59.360 0.200 . 1 . . . . 33 MET CA . 18845 1 84 . 1 1 9 9 MET CB C 13 32.630 0.200 . 1 . . . . 33 MET CB . 18845 1 85 . 1 1 9 9 MET CG C 13 31.060 0.200 . 1 . . . . 33 MET CG . 18845 1 86 . 1 1 9 9 MET CE C 13 16.660 0.200 . 1 . . . . 33 MET CE . 18845 1 87 . 1 1 9 9 MET N N 15 123.340 0.200 . 1 . . . . 33 MET N . 18845 1 88 . 1 1 10 10 PHE H H 1 8.400 0.020 . 1 . . . . 34 PHE HN . 18845 1 89 . 1 1 10 10 PHE HA H 1 4.890 0.020 . 1 . . . . 34 PHE HA . 18845 1 90 . 1 1 10 10 PHE HB2 H 1 3.460 0.020 . 2 . . . . 34 PHE HB2 . 18845 1 91 . 1 1 10 10 PHE HB3 H 1 2.790 0.020 . 2 . . . . 34 PHE HB3 . 18845 1 92 . 1 1 10 10 PHE HD1 H 1 7.200 0.020 . 1 . . . . 34 PHE HD1 . 18845 1 93 . 1 1 10 10 PHE HD2 H 1 7.200 0.020 . 1 . . . . 34 PHE HD2 . 18845 1 94 . 1 1 10 10 PHE HE1 H 1 7.290 0.020 . 1 . . . . 34 PHE HE1 . 18845 1 95 . 1 1 10 10 PHE HE2 H 1 7.290 0.020 . 1 . . . . 34 PHE HE2 . 18845 1 96 . 1 1 10 10 PHE HZ H 1 7.220 0.020 . 1 . . . . 34 PHE HZ . 18845 1 97 . 1 1 10 10 PHE C C 13 174.650 0.200 . 1 . . . . 34 PHE C . 18845 1 98 . 1 1 10 10 PHE CA C 13 57.910 0.200 . 1 . . . . 34 PHE CA . 18845 1 99 . 1 1 10 10 PHE CB C 13 39.180 0.200 . 1 . . . . 34 PHE CB . 18845 1 100 . 1 1 10 10 PHE CD1 C 13 131.300 0.200 . 1 . . . . 34 PHE CD1 . 18845 1 101 . 1 1 10 10 PHE CD2 C 13 131.300 0.200 . 1 . . . . 34 PHE CD2 . 18845 1 102 . 1 1 10 10 PHE CE1 C 13 131.240 0.200 . 1 . . . . 34 PHE CE1 . 18845 1 103 . 1 1 10 10 PHE CE2 C 13 131.240 0.200 . 1 . . . . 34 PHE CE2 . 18845 1 104 . 1 1 10 10 PHE CZ C 13 129.670 0.200 . 1 . . . . 34 PHE CZ . 18845 1 105 . 1 1 10 10 PHE N N 15 112.630 0.200 . 1 . . . . 34 PHE N . 18845 1 106 . 1 1 11 11 THR H H 1 7.470 0.020 . 1 . . . . 35 THR HN . 18845 1 107 . 1 1 11 11 THR HA H 1 4.400 0.020 . 1 . . . . 35 THR HA . 18845 1 108 . 1 1 11 11 THR HB H 1 4.530 0.020 . 1 . . . . 35 THR HB . 18845 1 109 . 1 1 11 11 THR HG21 H 1 0.810 0.020 . 1 . . . . 35 THR MG . 18845 1 110 . 1 1 11 11 THR HG22 H 1 0.810 0.020 . 1 . . . . 35 THR MG . 18845 1 111 . 1 1 11 11 THR HG23 H 1 0.810 0.020 . 1 . . . . 35 THR MG . 18845 1 112 . 1 1 11 11 THR C C 13 173.830 0.200 . 1 . . . . 35 THR C . 18845 1 113 . 1 1 11 11 THR CA C 13 61.050 0.200 . 1 . . . . 35 THR CA . 18845 1 114 . 1 1 11 11 THR CB C 13 69.690 0.200 . 1 . . . . 35 THR CB . 18845 1 115 . 1 1 11 11 THR CG2 C 13 22.150 0.200 . 1 . . . . 35 THR CG2 . 18845 1 116 . 1 1 11 11 THR N N 15 105.260 0.200 . 1 . . . . 35 THR N . 18845 1 117 . 1 1 12 12 LYS H H 1 7.810 0.020 . 1 . . . . 36 LYS HN . 18845 1 118 . 1 1 12 12 LYS HA H 1 5.020 0.020 . 1 . . . . 36 LYS HA . 18845 1 119 . 1 1 12 12 LYS HB2 H 1 1.980 0.020 . 2 . . . . 36 LYS HB2 . 18845 1 120 . 1 1 12 12 LYS HB3 H 1 1.690 0.020 . 2 . . . . 36 LYS HB3 . 18845 1 121 . 1 1 12 12 LYS HG2 H 1 1.390 0.020 . 2 . . . . 36 LYS HG2 . 18845 1 122 . 1 1 12 12 LYS HG3 H 1 1.120 0.020 . 2 . . . . 36 LYS HG3 . 18845 1 123 . 1 1 12 12 LYS HD2 H 1 1.410 0.020 . 1 . . . . 36 LYS HD2 . 18845 1 124 . 1 1 12 12 LYS HD3 H 1 1.410 0.020 . 1 . . . . 36 LYS HD3 . 18845 1 125 . 1 1 12 12 LYS HE2 H 1 2.340 0.020 . 2 . . . . 36 LYS HE2 . 18845 1 126 . 1 1 12 12 LYS HE3 H 1 2.470 0.020 . 2 . . . . 36 LYS HE3 . 18845 1 127 . 1 1 12 12 LYS C C 13 174.870 0.200 . 1 . . . . 36 LYS C . 18845 1 128 . 1 1 12 12 LYS CA C 13 56.530 0.200 . 1 . . . . 36 LYS CA . 18845 1 129 . 1 1 12 12 LYS CB C 13 33.840 0.200 . 1 . . . . 36 LYS CB . 18845 1 130 . 1 1 12 12 LYS CG C 13 25.340 0.200 . 1 . . . . 36 LYS CG . 18845 1 131 . 1 1 12 12 LYS CD C 13 29.470 0.200 . 1 . . . . 36 LYS CD . 18845 1 132 . 1 1 12 12 LYS CE C 13 41.320 0.200 . 1 . . . . 36 LYS CE . 18845 1 133 . 1 1 12 12 LYS N N 15 122.740 0.200 . 1 . . . . 36 LYS N . 18845 1 134 . 1 1 13 13 ILE H H 1 9.930 0.020 . 1 . . . . 37 ILE HN . 18845 1 135 . 1 1 13 13 ILE HA H 1 4.260 0.020 . 1 . . . . 37 ILE HA . 18845 1 136 . 1 1 13 13 ILE HB H 1 1.780 0.020 . 1 . . . . 37 ILE HB . 18845 1 137 . 1 1 13 13 ILE HG12 H 1 0.610 0.020 . 2 . . . . 37 ILE HG12 . 18845 1 138 . 1 1 13 13 ILE HG13 H 1 1.640 0.020 . 2 . . . . 37 ILE HG13 . 18845 1 139 . 1 1 13 13 ILE HG21 H 1 0.720 0.020 . 1 . . . . 37 ILE MG . 18845 1 140 . 1 1 13 13 ILE HG22 H 1 0.720 0.020 . 1 . . . . 37 ILE MG . 18845 1 141 . 1 1 13 13 ILE HG23 H 1 0.720 0.020 . 1 . . . . 37 ILE MG . 18845 1 142 . 1 1 13 13 ILE HD11 H 1 0.680 0.020 . 1 . . . . 37 ILE MD . 18845 1 143 . 1 1 13 13 ILE HD12 H 1 0.680 0.020 . 1 . . . . 37 ILE MD . 18845 1 144 . 1 1 13 13 ILE HD13 H 1 0.680 0.020 . 1 . . . . 37 ILE MD . 18845 1 145 . 1 1 13 13 ILE C C 13 175.260 0.200 . 1 . . . . 37 ILE C . 18845 1 146 . 1 1 13 13 ILE CA C 13 61.640 0.200 . 1 . . . . 37 ILE CA . 18845 1 147 . 1 1 13 13 ILE CB C 13 41.070 0.200 . 1 . . . . 37 ILE CB . 18845 1 148 . 1 1 13 13 ILE CG1 C 13 28.020 0.200 . 1 . . . . 37 ILE CG1 . 18845 1 149 . 1 1 13 13 ILE CG2 C 13 18.400 0.200 . 1 . . . . 37 ILE CG2 . 18845 1 150 . 1 1 13 13 ILE CD1 C 13 15.750 0.200 . 1 . . . . 37 ILE CD1 . 18845 1 151 . 1 1 13 13 ILE N N 15 132.120 0.200 . 1 . . . . 37 ILE N . 18845 1 152 . 1 1 14 14 PHE H H 1 9.410 0.020 . 1 . . . . 38 PHE HN . 18845 1 153 . 1 1 14 14 PHE HA H 1 4.740 0.020 . 1 . . . . 38 PHE HA . 18845 1 154 . 1 1 14 14 PHE HB2 H 1 2.990 0.020 . 2 . . . . 38 PHE HB2 . 18845 1 155 . 1 1 14 14 PHE HB3 H 1 3.030 0.020 . 2 . . . . 38 PHE HB3 . 18845 1 156 . 1 1 14 14 PHE HD1 H 1 6.990 0.020 . 1 . . . . 38 PHE HD1 . 18845 1 157 . 1 1 14 14 PHE HD2 H 1 6.990 0.020 . 1 . . . . 38 PHE HD2 . 18845 1 158 . 1 1 14 14 PHE HE1 H 1 6.920 0.020 . 1 . . . . 38 PHE HE1 . 18845 1 159 . 1 1 14 14 PHE HE2 H 1 6.920 0.020 . 1 . . . . 38 PHE HE2 . 18845 1 160 . 1 1 14 14 PHE HZ H 1 6.920 0.020 . 1 . . . . 38 PHE HZ . 18845 1 161 . 1 1 14 14 PHE C C 13 172.180 0.200 . 1 . . . . 38 PHE C . 18845 1 162 . 1 1 14 14 PHE CA C 13 57.480 0.200 . 1 . . . . 38 PHE CA . 18845 1 163 . 1 1 14 14 PHE CB C 13 40.840 0.200 . 1 . . . . 38 PHE CB . 18845 1 164 . 1 1 14 14 PHE CD1 C 13 132.250 0.200 . 1 . . . . 38 PHE CD1 . 18845 1 165 . 1 1 14 14 PHE CD2 C 13 132.250 0.200 . 1 . . . . 38 PHE CD2 . 18845 1 166 . 1 1 14 14 PHE CE1 C 13 130.900 0.200 . 1 . . . . 38 PHE CE1 . 18845 1 167 . 1 1 14 14 PHE CE2 C 13 130.900 0.200 . 1 . . . . 38 PHE CE2 . 18845 1 168 . 1 1 14 14 PHE CZ C 13 129.920 0.200 . 1 . . . . 38 PHE CZ . 18845 1 169 . 1 1 14 14 PHE N N 15 127.980 0.200 . 1 . . . . 38 PHE N . 18845 1 170 . 1 1 15 15 VAL H H 1 7.820 0.020 . 1 . . . . 39 VAL HN . 18845 1 171 . 1 1 15 15 VAL HA H 1 4.530 0.020 . 1 . . . . 39 VAL HA . 18845 1 172 . 1 1 15 15 VAL HB H 1 1.580 0.020 . 1 . . . . 39 VAL HB . 18845 1 173 . 1 1 15 15 VAL HG11 H 1 0.750 0.020 . 1 . . . . 39 VAL MG1 . 18845 1 174 . 1 1 15 15 VAL HG12 H 1 0.750 0.020 . 1 . . . . 39 VAL MG1 . 18845 1 175 . 1 1 15 15 VAL HG13 H 1 0.750 0.020 . 1 . . . . 39 VAL MG1 . 18845 1 176 . 1 1 15 15 VAL HG21 H 1 0.710 0.020 . 1 . . . . 39 VAL MG2 . 18845 1 177 . 1 1 15 15 VAL HG22 H 1 0.710 0.020 . 1 . . . . 39 VAL MG2 . 18845 1 178 . 1 1 15 15 VAL HG23 H 1 0.710 0.020 . 1 . . . . 39 VAL MG2 . 18845 1 179 . 1 1 15 15 VAL C C 13 173.350 0.200 . 1 . . . . 39 VAL C . 18845 1 180 . 1 1 15 15 VAL CA C 13 59.610 0.200 . 1 . . . . 39 VAL CA . 18845 1 181 . 1 1 15 15 VAL CB C 13 32.510 0.200 . 1 . . . . 39 VAL CB . 18845 1 182 . 1 1 15 15 VAL CG1 C 13 21.740 0.200 . 1 . . . . 39 VAL CG1 . 18845 1 183 . 1 1 15 15 VAL CG2 C 13 21.500 0.200 . 1 . . . . 39 VAL CG2 . 18845 1 184 . 1 1 15 15 VAL N N 15 127.180 0.200 . 1 . . . . 39 VAL N . 18845 1 185 . 1 1 16 16 GLY H H 1 8.950 0.020 . 1 . . . . 40 GLY HN . 18845 1 186 . 1 1 16 16 GLY HA2 H 1 4.600 0.020 . 2 . . . . 40 GLY HA2 . 18845 1 187 . 1 1 16 16 GLY HA3 H 1 3.750 0.020 . 2 . . . . 40 GLY HA3 . 18845 1 188 . 1 1 16 16 GLY C C 13 173.850 0.200 . 1 . . . . 40 GLY C . 18845 1 189 . 1 1 16 16 GLY CA C 13 43.420 0.200 . 1 . . . . 40 GLY CA . 18845 1 190 . 1 1 16 16 GLY N N 15 112.630 0.200 . 1 . . . . 40 GLY N . 18845 1 191 . 1 1 17 17 GLY H H 1 8.390 0.020 . 1 . . . . 41 GLY HN . 18845 1 192 . 1 1 17 17 GLY HA2 H 1 3.730 0.020 . 2 . . . . 41 GLY HA2 . 18845 1 193 . 1 1 17 17 GLY HA3 H 1 4.020 0.020 . 2 . . . . 41 GLY HA3 . 18845 1 194 . 1 1 17 17 GLY C C 13 174.930 0.200 . 1 . . . . 41 GLY C . 18845 1 195 . 1 1 17 17 GLY CA C 13 46.170 0.200 . 1 . . . . 41 GLY CA . 18845 1 196 . 1 1 17 17 GLY N N 15 106.430 0.200 . 1 . . . . 41 GLY N . 18845 1 197 . 1 1 18 18 LEU H H 1 7.640 0.020 . 1 . . . . 42 LEU HN . 18845 1 198 . 1 1 18 18 LEU HA H 1 4.300 0.020 . 1 . . . . 42 LEU HA . 18845 1 199 . 1 1 18 18 LEU HB2 H 1 1.010 0.020 . 2 . . . . 42 LEU HB2 . 18845 1 200 . 1 1 18 18 LEU HB3 H 1 1.270 0.020 . 2 . . . . 42 LEU HB3 . 18845 1 201 . 1 1 18 18 LEU HG H 1 1.290 0.020 . 1 . . . . 42 LEU HG . 18845 1 202 . 1 1 18 18 LEU HD11 H 1 0.500 0.020 . 1 . . . . 42 LEU MD1 . 18845 1 203 . 1 1 18 18 LEU HD12 H 1 0.500 0.020 . 1 . . . . 42 LEU MD1 . 18845 1 204 . 1 1 18 18 LEU HD13 H 1 0.500 0.020 . 1 . . . . 42 LEU MD1 . 18845 1 205 . 1 1 18 18 LEU HD21 H 1 0.650 0.020 . 1 . . . . 42 LEU MD2 . 18845 1 206 . 1 1 18 18 LEU HD22 H 1 0.650 0.020 . 1 . . . . 42 LEU MD2 . 18845 1 207 . 1 1 18 18 LEU HD23 H 1 0.650 0.020 . 1 . . . . 42 LEU MD2 . 18845 1 208 . 1 1 18 18 LEU C C 13 175.590 0.200 . 1 . . . . 42 LEU C . 18845 1 209 . 1 1 18 18 LEU CA C 13 52.180 0.200 . 1 . . . . 42 LEU CA . 18845 1 210 . 1 1 18 18 LEU CB C 13 41.770 0.200 . 1 . . . . 42 LEU CB . 18845 1 211 . 1 1 18 18 LEU CG C 13 26.440 0.200 . 1 . . . . 42 LEU CG . 18845 1 212 . 1 1 18 18 LEU CD1 C 13 25.580 0.200 . 1 . . . . 42 LEU CD1 . 18845 1 213 . 1 1 18 18 LEU CD2 C 13 22.270 0.200 . 1 . . . . 42 LEU CD2 . 18845 1 214 . 1 1 18 18 LEU N N 15 117.200 0.200 . 1 . . . . 42 LEU N . 18845 1 215 . 1 1 19 19 PRO HA H 1 4.390 0.020 . 1 . . . . 43 PRO HA . 18845 1 216 . 1 1 19 19 PRO HB2 H 1 1.660 0.020 . 2 . . . . 43 PRO HB2 . 18845 1 217 . 1 1 19 19 PRO HB3 H 1 2.060 0.020 . 2 . . . . 43 PRO HB3 . 18845 1 218 . 1 1 19 19 PRO HG2 H 1 1.820 0.020 . 2 . . . . 43 PRO HG2 . 18845 1 219 . 1 1 19 19 PRO HG3 H 1 1.940 0.020 . 2 . . . . 43 PRO HG3 . 18845 1 220 . 1 1 19 19 PRO HD2 H 1 3.830 0.020 . 2 . . . . 43 PRO HD2 . 18845 1 221 . 1 1 19 19 PRO HD3 H 1 3.610 0.020 . 2 . . . . 43 PRO HD3 . 18845 1 222 . 1 1 19 19 PRO C C 13 178.180 0.200 . 1 . . . . 43 PRO C . 18845 1 223 . 1 1 19 19 PRO CA C 13 61.930 0.200 . 1 . . . . 43 PRO CA . 18845 1 224 . 1 1 19 19 PRO CB C 13 31.940 0.200 . 1 . . . . 43 PRO CB . 18845 1 225 . 1 1 19 19 PRO CG C 13 27.510 0.200 . 1 . . . . 43 PRO CG . 18845 1 226 . 1 1 19 19 PRO CD C 13 49.510 0.200 . 1 . . . . 43 PRO CD . 18845 1 227 . 1 1 20 20 TYR H H 1 8.540 0.020 . 1 . . . . 44 TYR HN . 18845 1 228 . 1 1 20 20 TYR HA H 1 4.160 0.020 . 1 . . . . 44 TYR HA . 18845 1 229 . 1 1 20 20 TYR HB2 H 1 3.020 0.020 . 2 . . . . 44 TYR HB2 . 18845 1 230 . 1 1 20 20 TYR HB3 H 1 3.240 0.020 . 2 . . . . 44 TYR HB3 . 18845 1 231 . 1 1 20 20 TYR HD1 H 1 7.160 0.020 . 1 . . . . 44 TYR HD1 . 18845 1 232 . 1 1 20 20 TYR HD2 H 1 7.160 0.020 . 1 . . . . 44 TYR HD2 . 18845 1 233 . 1 1 20 20 TYR HE1 H 1 6.820 0.020 . 1 . . . . 44 TYR HE1 . 18845 1 234 . 1 1 20 20 TYR HE2 H 1 6.820 0.020 . 1 . . . . 44 TYR HE2 . 18845 1 235 . 1 1 20 20 TYR C C 13 175.120 0.200 . 1 . . . . 44 TYR C . 18845 1 236 . 1 1 20 20 TYR CA C 13 60.460 0.200 . 1 . . . . 44 TYR CA . 18845 1 237 . 1 1 20 20 TYR CB C 13 37.240 0.200 . 1 . . . . 44 TYR CB . 18845 1 238 . 1 1 20 20 TYR CD1 C 13 132.890 0.200 . 1 . . . . 44 TYR CD1 . 18845 1 239 . 1 1 20 20 TYR CD2 C 13 132.890 0.200 . 1 . . . . 44 TYR CD2 . 18845 1 240 . 1 1 20 20 TYR CE1 C 13 118.310 0.200 . 1 . . . . 44 TYR CE1 . 18845 1 241 . 1 1 20 20 TYR CE2 C 13 118.310 0.200 . 1 . . . . 44 TYR CE2 . 18845 1 242 . 1 1 20 20 TYR N N 15 120.140 0.200 . 1 . . . . 44 TYR N . 18845 1 243 . 1 1 21 21 HIS H H 1 7.210 0.020 . 1 . . . . 45 HIS HN . 18845 1 244 . 1 1 21 21 HIS HA H 1 4.670 0.020 . 1 . . . . 45 HIS HA . 18845 1 245 . 1 1 21 21 HIS HB2 H 1 3.350 0.020 . 2 . . . . 45 HIS HB2 . 18845 1 246 . 1 1 21 21 HIS HB3 H 1 2.910 0.020 . 2 . . . . 45 HIS HB3 . 18845 1 247 . 1 1 21 21 HIS HD2 H 1 6.980 0.020 . 1 . . . . 45 HIS HD2 . 18845 1 248 . 1 1 21 21 HIS HE1 H 1 7.950 0.020 . 1 . . . . 45 HIS HE1 . 18845 1 249 . 1 1 21 21 HIS C C 13 175.940 0.200 . 1 . . . . 45 HIS C . 18845 1 250 . 1 1 21 21 HIS CA C 13 55.410 0.200 . 1 . . . . 45 HIS CA . 18845 1 251 . 1 1 21 21 HIS CB C 13 29.880 0.200 . 1 . . . . 45 HIS CB . 18845 1 252 . 1 1 21 21 HIS CD2 C 13 119.350 0.200 . 1 . . . . 45 HIS CD2 . 18845 1 253 . 1 1 21 21 HIS CE1 C 13 138.930 0.200 . 1 . . . . 45 HIS CE1 . 18845 1 254 . 1 1 21 21 HIS N N 15 111.290 0.200 . 1 . . . . 45 HIS N . 18845 1 255 . 1 1 22 22 THR H H 1 7.010 0.020 . 1 . . . . 46 THR HN . 18845 1 256 . 1 1 22 22 THR HA H 1 4.050 0.020 . 1 . . . . 46 THR HA . 18845 1 257 . 1 1 22 22 THR HB H 1 3.690 0.020 . 1 . . . . 46 THR HB . 18845 1 258 . 1 1 22 22 THR HG21 H 1 1.130 0.020 . 1 . . . . 46 THR MG . 18845 1 259 . 1 1 22 22 THR HG22 H 1 1.130 0.020 . 1 . . . . 46 THR MG . 18845 1 260 . 1 1 22 22 THR HG23 H 1 1.130 0.020 . 1 . . . . 46 THR MG . 18845 1 261 . 1 1 22 22 THR C C 13 173.930 0.200 . 1 . . . . 46 THR C . 18845 1 262 . 1 1 22 22 THR CA C 13 65.630 0.200 . 1 . . . . 46 THR CA . 18845 1 263 . 1 1 22 22 THR CB C 13 67.560 0.200 . 1 . . . . 46 THR CB . 18845 1 264 . 1 1 22 22 THR CG2 C 13 23.050 0.200 . 1 . . . . 46 THR CG2 . 18845 1 265 . 1 1 22 22 THR N N 15 122.630 0.200 . 1 . . . . 46 THR N . 18845 1 266 . 1 1 23 23 SER H H 1 8.420 0.020 . 1 . . . . 47 SER HN . 18845 1 267 . 1 1 23 23 SER HA H 1 4.860 0.020 . 1 . . . . 47 SER HA . 18845 1 268 . 1 1 23 23 SER HB2 H 1 4.420 0.020 . 2 . . . . 47 SER HB2 . 18845 1 269 . 1 1 23 23 SER HB3 H 1 3.980 0.020 . 2 . . . . 47 SER HB3 . 18845 1 270 . 1 1 23 23 SER C C 13 174.320 0.200 . 1 . . . . 47 SER C . 18845 1 271 . 1 1 23 23 SER CA C 13 55.730 0.200 . 1 . . . . 47 SER CA . 18845 1 272 . 1 1 23 23 SER CB C 13 67.490 0.200 . 1 . . . . 47 SER CB . 18845 1 273 . 1 1 23 23 SER N N 15 123.830 0.200 . 1 . . . . 47 SER N . 18845 1 274 . 1 1 24 24 ASP H H 1 8.790 0.020 . 1 . . . . 48 ASP HN . 18845 1 275 . 1 1 24 24 ASP HA H 1 4.020 0.020 . 1 . . . . 48 ASP HA . 18845 1 276 . 1 1 24 24 ASP HB2 H 1 2.760 0.020 . 2 . . . . 48 ASP HB2 . 18845 1 277 . 1 1 24 24 ASP HB3 H 1 2.970 0.020 . 2 . . . . 48 ASP HB3 . 18845 1 278 . 1 1 24 24 ASP C C 13 177.850 0.200 . 1 . . . . 48 ASP C . 18845 1 279 . 1 1 24 24 ASP CA C 13 57.860 0.200 . 1 . . . . 48 ASP CA . 18845 1 280 . 1 1 24 24 ASP CB C 13 39.680 0.200 . 1 . . . . 48 ASP CB . 18845 1 281 . 1 1 24 24 ASP N N 15 119.880 0.200 . 1 . . . . 48 ASP N . 18845 1 282 . 1 1 25 25 LYS H H 1 7.920 0.020 . 1 . . . . 49 LYS HN . 18845 1 283 . 1 1 25 25 LYS HA H 1 4.150 0.020 . 1 . . . . 49 LYS HA . 18845 1 284 . 1 1 25 25 LYS HB2 H 1 1.830 0.020 . 2 . . . . 49 LYS HB2 . 18845 1 285 . 1 1 25 25 LYS HB3 H 1 1.910 0.020 . 2 . . . . 49 LYS HB3 . 18845 1 286 . 1 1 25 25 LYS HG2 H 1 1.380 0.020 . 2 . . . . 49 LYS HG2 . 18845 1 287 . 1 1 25 25 LYS HG3 H 1 1.490 0.020 . 2 . . . . 49 LYS HG3 . 18845 1 288 . 1 1 25 25 LYS HD2 H 1 1.720 0.020 . 2 . . . . 49 LYS HD2 . 18845 1 289 . 1 1 25 25 LYS HD3 H 1 1.670 0.020 . 2 . . . . 49 LYS HD3 . 18845 1 290 . 1 1 25 25 LYS HE2 H 1 3.000 0.020 . 1 . . . . 49 LYS HE2 . 18845 1 291 . 1 1 25 25 LYS HE3 H 1 3.000 0.020 . 1 . . . . 49 LYS HE3 . 18845 1 292 . 1 1 25 25 LYS C C 13 178.340 0.200 . 1 . . . . 49 LYS C . 18845 1 293 . 1 1 25 25 LYS CA C 13 59.270 0.200 . 1 . . . . 49 LYS CA . 18845 1 294 . 1 1 25 25 LYS CB C 13 32.480 0.200 . 1 . . . . 49 LYS CB . 18845 1 295 . 1 1 25 25 LYS CG C 13 24.560 0.200 . 1 . . . . 49 LYS CG . 18845 1 296 . 1 1 25 25 LYS CD C 13 29.170 0.200 . 1 . . . . 49 LYS CD . 18845 1 297 . 1 1 25 25 LYS CE C 13 41.930 0.200 . 1 . . . . 49 LYS CE . 18845 1 298 . 1 1 25 25 LYS N N 15 119.390 0.200 . 1 . . . . 49 LYS N . 18845 1 299 . 1 1 26 26 THR H H 1 7.870 0.020 . 1 . . . . 50 THR HN . 18845 1 300 . 1 1 26 26 THR HA H 1 4.160 0.020 . 1 . . . . 50 THR HA . 18845 1 301 . 1 1 26 26 THR HB H 1 4.460 0.020 . 1 . . . . 50 THR HB . 18845 1 302 . 1 1 26 26 THR HG21 H 1 1.290 0.020 . 1 . . . . 50 THR MG . 18845 1 303 . 1 1 26 26 THR HG22 H 1 1.290 0.020 . 1 . . . . 50 THR MG . 18845 1 304 . 1 1 26 26 THR HG23 H 1 1.290 0.020 . 1 . . . . 50 THR MG . 18845 1 305 . 1 1 26 26 THR C C 13 177.750 0.200 . 1 . . . . 50 THR C . 18845 1 306 . 1 1 26 26 THR CA C 13 65.900 0.200 . 1 . . . . 50 THR CA . 18845 1 307 . 1 1 26 26 THR CB C 13 67.610 0.200 . 1 . . . . 50 THR CB . 18845 1 308 . 1 1 26 26 THR CG2 C 13 22.680 0.200 . 1 . . . . 50 THR CG2 . 18845 1 309 . 1 1 26 26 THR N N 15 116.300 0.200 . 1 . . . . 50 THR N . 18845 1 310 . 1 1 27 27 LEU H H 1 8.150 0.020 . 1 . . . . 51 LEU HN . 18845 1 311 . 1 1 27 27 LEU HA H 1 4.180 0.020 . 1 . . . . 51 LEU HA . 18845 1 312 . 1 1 27 27 LEU HB2 H 1 1.580 0.020 . 2 . . . . 51 LEU HB2 . 18845 1 313 . 1 1 27 27 LEU HB3 H 1 1.740 0.020 . 2 . . . . 51 LEU HB3 . 18845 1 314 . 1 1 27 27 LEU HG H 1 1.580 0.020 . 1 . . . . 51 LEU HG . 18845 1 315 . 1 1 27 27 LEU HD11 H 1 0.830 0.020 . 1 . . . . 51 LEU MD1 . 18845 1 316 . 1 1 27 27 LEU HD12 H 1 0.830 0.020 . 1 . . . . 51 LEU MD1 . 18845 1 317 . 1 1 27 27 LEU HD13 H 1 0.830 0.020 . 1 . . . . 51 LEU MD1 . 18845 1 318 . 1 1 27 27 LEU HD21 H 1 0.660 0.020 . 1 . . . . 51 LEU MD2 . 18845 1 319 . 1 1 27 27 LEU HD22 H 1 0.660 0.020 . 1 . . . . 51 LEU MD2 . 18845 1 320 . 1 1 27 27 LEU HD23 H 1 0.660 0.020 . 1 . . . . 51 LEU MD2 . 18845 1 321 . 1 1 27 27 LEU C C 13 178.210 0.200 . 1 . . . . 51 LEU C . 18845 1 322 . 1 1 27 27 LEU CA C 13 58.210 0.200 . 1 . . . . 51 LEU CA . 18845 1 323 . 1 1 27 27 LEU CB C 13 42.260 0.200 . 1 . . . . 51 LEU CB . 18845 1 324 . 1 1 27 27 LEU CG C 13 26.520 0.200 . 1 . . . . 51 LEU CG . 18845 1 325 . 1 1 27 27 LEU CD1 C 13 25.170 0.200 . 1 . . . . 51 LEU CD1 . 18845 1 326 . 1 1 27 27 LEU CD2 C 13 25.030 0.200 . 1 . . . . 51 LEU CD2 . 18845 1 327 . 1 1 27 27 LEU N N 15 122.680 0.200 . 1 . . . . 51 LEU N . 18845 1 328 . 1 1 28 28 HIS H H 1 8.530 0.020 . 1 . . . . 52 HIS HN . 18845 1 329 . 1 1 28 28 HIS HA H 1 3.820 0.020 . 1 . . . . 52 HIS HA . 18845 1 330 . 1 1 28 28 HIS HB2 H 1 3.570 0.020 . 2 . . . . 52 HIS HB2 . 18845 1 331 . 1 1 28 28 HIS HB3 H 1 3.510 0.020 . 2 . . . . 52 HIS HB3 . 18845 1 332 . 1 1 28 28 HIS HD2 H 1 7.250 0.020 . 1 . . . . 52 HIS HD2 . 18845 1 333 . 1 1 28 28 HIS HE1 H 1 8.470 0.020 . 1 . . . . 52 HIS HE1 . 18845 1 334 . 1 1 28 28 HIS C C 13 176.660 0.200 . 1 . . . . 52 HIS C . 18845 1 335 . 1 1 28 28 HIS CA C 13 60.470 0.200 . 1 . . . . 52 HIS CA . 18845 1 336 . 1 1 28 28 HIS CB C 13 29.260 0.200 . 1 . . . . 52 HIS CB . 18845 1 337 . 1 1 28 28 HIS CD2 C 13 120.700 0.200 . 1 . . . . 52 HIS CD2 . 18845 1 338 . 1 1 28 28 HIS CE1 C 13 137.550 0.200 . 1 . . . . 52 HIS CE1 . 18845 1 339 . 1 1 28 28 HIS N N 15 118.920 0.200 . 1 . . . . 52 HIS N . 18845 1 340 . 1 1 29 29 GLU H H 1 8.490 0.020 . 1 . . . . 53 GLU HN . 18845 1 341 . 1 1 29 29 GLU HA H 1 4.090 0.020 . 1 . . . . 53 GLU HA . 18845 1 342 . 1 1 29 29 GLU HB2 H 1 2.260 0.020 . 2 . . . . 53 GLU HB2 . 18845 1 343 . 1 1 29 29 GLU HB3 H 1 2.090 0.020 . 2 . . . . 53 GLU HB3 . 18845 1 344 . 1 1 29 29 GLU HG2 H 1 2.620 0.020 . 2 . . . . 53 GLU HG2 . 18845 1 345 . 1 1 29 29 GLU HG3 H 1 2.330 0.020 . 2 . . . . 53 GLU HG3 . 18845 1 346 . 1 1 29 29 GLU C C 13 178.560 0.200 . 1 . . . . 53 GLU C . 18845 1 347 . 1 1 29 29 GLU CA C 13 59.140 0.200 . 1 . . . . 53 GLU CA . 18845 1 348 . 1 1 29 29 GLU CB C 13 29.710 0.200 . 1 . . . . 53 GLU CB . 18845 1 349 . 1 1 29 29 GLU CG C 13 36.980 0.200 . 1 . . . . 53 GLU CG . 18845 1 350 . 1 1 29 29 GLU N N 15 115.820 0.200 . 1 . . . . 53 GLU N . 18845 1 351 . 1 1 30 30 TYR H H 1 7.840 0.020 . 1 . . . . 54 TYR HN . 18845 1 352 . 1 1 30 30 TYR HA H 1 4.130 0.020 . 1 . . . . 54 TYR HA . 18845 1 353 . 1 1 30 30 TYR HB2 H 1 3.220 0.020 . 2 . . . . 54 TYR HB2 . 18845 1 354 . 1 1 30 30 TYR HB3 H 1 2.840 0.020 . 2 . . . . 54 TYR HB3 . 18845 1 355 . 1 1 30 30 TYR HD1 H 1 6.270 0.020 . 1 . . . . 54 TYR HD1 . 18845 1 356 . 1 1 30 30 TYR HD2 H 1 6.270 0.020 . 1 . . . . 54 TYR HD2 . 18845 1 357 . 1 1 30 30 TYR HE1 H 1 6.480 0.020 . 1 . . . . 54 TYR HE1 . 18845 1 358 . 1 1 30 30 TYR HE2 H 1 6.480 0.020 . 1 . . . . 54 TYR HE2 . 18845 1 359 . 1 1 30 30 TYR C C 13 177.180 0.200 . 1 . . . . 54 TYR C . 18845 1 360 . 1 1 30 30 TYR CA C 13 62.440 0.200 . 1 . . . . 54 TYR CA . 18845 1 361 . 1 1 30 30 TYR CB C 13 38.010 0.200 . 1 . . . . 54 TYR CB . 18845 1 362 . 1 1 30 30 TYR CD1 C 13 132.830 0.200 . 1 . . . . 54 TYR CD1 . 18845 1 363 . 1 1 30 30 TYR CD2 C 13 132.830 0.200 . 1 . . . . 54 TYR CD2 . 18845 1 364 . 1 1 30 30 TYR CE1 C 13 117.710 0.200 . 1 . . . . 54 TYR CE1 . 18845 1 365 . 1 1 30 30 TYR CE2 C 13 117.710 0.200 . 1 . . . . 54 TYR CE2 . 18845 1 366 . 1 1 30 30 TYR N N 15 117.670 0.200 . 1 . . . . 54 TYR N . 18845 1 367 . 1 1 31 31 PHE H H 1 7.970 0.020 . 1 . . . . 55 PHE HN . 18845 1 368 . 1 1 31 31 PHE HA H 1 4.320 0.020 . 1 . . . . 55 PHE HA . 18845 1 369 . 1 1 31 31 PHE HB2 H 1 3.290 0.020 . 2 . . . . 55 PHE HB2 . 18845 1 370 . 1 1 31 31 PHE HB3 H 1 2.920 0.020 . 2 . . . . 55 PHE HB3 . 18845 1 371 . 1 1 31 31 PHE HD1 H 1 7.830 0.020 . 1 . . . . 55 PHE HD1 . 18845 1 372 . 1 1 31 31 PHE HD2 H 1 7.830 0.020 . 1 . . . . 55 PHE HD2 . 18845 1 373 . 1 1 31 31 PHE HE1 H 1 7.330 0.020 . 1 . . . . 55 PHE HE1 . 18845 1 374 . 1 1 31 31 PHE HE2 H 1 7.330 0.020 . 1 . . . . 55 PHE HE2 . 18845 1 375 . 1 1 31 31 PHE HZ H 1 7.200 0.020 . 1 . . . . 55 PHE HZ . 18845 1 376 . 1 1 31 31 PHE C C 13 177.100 0.200 . 1 . . . . 55 PHE C . 18845 1 377 . 1 1 31 31 PHE CA C 13 62.070 0.200 . 1 . . . . 55 PHE CA . 18845 1 378 . 1 1 31 31 PHE CB C 13 39.860 0.200 . 1 . . . . 55 PHE CB . 18845 1 379 . 1 1 31 31 PHE CD1 C 13 132.740 0.200 . 1 . . . . 55 PHE CD1 . 18845 1 380 . 1 1 31 31 PHE CD2 C 13 132.740 0.200 . 1 . . . . 55 PHE CD2 . 18845 1 381 . 1 1 31 31 PHE CE1 C 13 131.550 0.200 . 1 . . . . 55 PHE CE1 . 18845 1 382 . 1 1 31 31 PHE CE2 C 13 131.550 0.200 . 1 . . . . 55 PHE CE2 . 18845 1 383 . 1 1 31 31 PHE CZ C 13 130.180 0.200 . 1 . . . . 55 PHE CZ . 18845 1 384 . 1 1 31 31 PHE N N 15 113.400 0.200 . 1 . . . . 55 PHE N . 18845 1 385 . 1 1 32 32 GLU H H 1 8.360 0.020 . 1 . . . . 56 GLU HN . 18845 1 386 . 1 1 32 32 GLU HA H 1 4.500 0.020 . 1 . . . . 56 GLU HA . 18845 1 387 . 1 1 32 32 GLU HB2 H 1 2.170 0.020 . 2 . . . . 56 GLU HB2 . 18845 1 388 . 1 1 32 32 GLU HB3 H 1 2.080 0.020 . 2 . . . . 56 GLU HB3 . 18845 1 389 . 1 1 32 32 GLU HG2 H 1 2.610 0.020 . 2 . . . . 56 GLU HG2 . 18845 1 390 . 1 1 32 32 GLU HG3 H 1 2.420 0.020 . 2 . . . . 56 GLU HG3 . 18845 1 391 . 1 1 32 32 GLU C C 13 177.140 0.200 . 1 . . . . 56 GLU C . 18845 1 392 . 1 1 32 32 GLU CA C 13 57.970 0.200 . 1 . . . . 56 GLU CA . 18845 1 393 . 1 1 32 32 GLU CB C 13 28.620 0.200 . 1 . . . . 56 GLU CB . 18845 1 394 . 1 1 32 32 GLU CG C 13 36.240 0.200 . 1 . . . . 56 GLU CG . 18845 1 395 . 1 1 32 32 GLU N N 15 121.070 0.200 . 1 . . . . 56 GLU N . 18845 1 396 . 1 1 33 33 GLN H H 1 6.740 0.020 . 1 . . . . 57 GLN HN . 18845 1 397 . 1 1 33 33 GLN HA H 1 4.080 0.020 . 1 . . . . 57 GLN HA . 18845 1 398 . 1 1 33 33 GLN HB2 H 1 1.580 0.020 . 1 . . . . 57 GLN HB2 . 18845 1 399 . 1 1 33 33 GLN HB3 H 1 1.580 0.020 . 1 . . . . 57 GLN HB3 . 18845 1 400 . 1 1 33 33 GLN HG2 H 1 0.220 0.020 . 2 . . . . 57 GLN HG2 . 18845 1 401 . 1 1 33 33 GLN HG3 H 1 1.540 0.020 . 2 . . . . 57 GLN HG3 . 18845 1 402 . 1 1 33 33 GLN HE21 H 1 6.740 0.020 . 2 . . . . 57 GLN HE21 . 18845 1 403 . 1 1 33 33 GLN HE22 H 1 6.090 0.020 . 2 . . . . 57 GLN HE22 . 18845 1 404 . 1 1 33 33 GLN C C 13 175.910 0.200 . 1 . . . . 57 GLN C . 18845 1 405 . 1 1 33 33 GLN CA C 13 56.850 0.200 . 1 . . . . 57 GLN CA . 18845 1 406 . 1 1 33 33 GLN CB C 13 28.300 0.200 . 1 . . . . 57 GLN CB . 18845 1 407 . 1 1 33 33 GLN CG C 13 31.360 0.200 . 1 . . . . 57 GLN CG . 18845 1 408 . 1 1 33 33 GLN CD C 13 180.420 0.200 . 1 . . . . 57 GLN CD . 18845 1 409 . 1 1 33 33 GLN N N 15 114.420 0.200 . 1 . . . . 57 GLN N . 18845 1 410 . 1 1 33 33 GLN NE2 N 15 112.330 0.200 . 1 . . . . 57 GLN NE2 . 18845 1 411 . 1 1 34 34 PHE H H 1 7.670 0.020 . 1 . . . . 58 PHE HN . 18845 1 412 . 1 1 34 34 PHE HA H 1 4.710 0.020 . 1 . . . . 58 PHE HA . 18845 1 413 . 1 1 34 34 PHE HB2 H 1 3.650 0.020 . 2 . . . . 58 PHE HB2 . 18845 1 414 . 1 1 34 34 PHE HB3 H 1 2.910 0.020 . 2 . . . . 58 PHE HB3 . 18845 1 415 . 1 1 34 34 PHE HD1 H 1 7.370 0.020 . 1 . . . . 58 PHE HD1 . 18845 1 416 . 1 1 34 34 PHE HD2 H 1 7.370 0.020 . 1 . . . . 58 PHE HD2 . 18845 1 417 . 1 1 34 34 PHE HE1 H 1 7.000 0.020 . 1 . . . . 58 PHE HE1 . 18845 1 418 . 1 1 34 34 PHE HE2 H 1 7.000 0.020 . 1 . . . . 58 PHE HE2 . 18845 1 419 . 1 1 34 34 PHE HZ H 1 7.290 0.020 . 1 . . . . 58 PHE HZ . 18845 1 420 . 1 1 34 34 PHE C C 13 174.350 0.200 . 1 . . . . 58 PHE C . 18845 1 421 . 1 1 34 34 PHE CA C 13 58.400 0.200 . 1 . . . . 58 PHE CA . 18845 1 422 . 1 1 34 34 PHE CB C 13 40.150 0.200 . 1 . . . . 58 PHE CB . 18845 1 423 . 1 1 34 34 PHE CD1 C 13 131.710 0.200 . 1 . . . . 58 PHE CD1 . 18845 1 424 . 1 1 34 34 PHE CD2 C 13 131.710 0.200 . 1 . . . . 58 PHE CD2 . 18845 1 425 . 1 1 34 34 PHE CE1 C 13 132.250 0.200 . 1 . . . . 58 PHE CE1 . 18845 1 426 . 1 1 34 34 PHE CE2 C 13 132.250 0.200 . 1 . . . . 58 PHE CE2 . 18845 1 427 . 1 1 34 34 PHE CZ C 13 130.580 0.200 . 1 . . . . 58 PHE CZ . 18845 1 428 . 1 1 34 34 PHE N N 15 117.740 0.200 . 1 . . . . 58 PHE N . 18845 1 429 . 1 1 35 35 GLY H H 1 7.340 0.020 . 1 . . . . 59 GLY HN . 18845 1 430 . 1 1 35 35 GLY HA2 H 1 3.860 0.020 . 2 . . . . 59 GLY HA2 . 18845 1 431 . 1 1 35 35 GLY HA3 H 1 4.540 0.020 . 2 . . . . 59 GLY HA3 . 18845 1 432 . 1 1 35 35 GLY C C 13 170.450 0.200 . 1 . . . . 59 GLY C . 18845 1 433 . 1 1 35 35 GLY CA C 13 44.180 0.200 . 1 . . . . 59 GLY CA . 18845 1 434 . 1 1 35 35 GLY N N 15 105.930 0.200 . 1 . . . . 59 GLY N . 18845 1 435 . 1 1 36 36 ASP H H 1 8.210 0.020 . 1 . . . . 60 ASP HN . 18845 1 436 . 1 1 36 36 ASP HA H 1 4.720 0.020 . 1 . . . . 60 ASP HA . 18845 1 437 . 1 1 36 36 ASP HB2 H 1 2.600 0.020 . 2 . . . . 60 ASP HB2 . 18845 1 438 . 1 1 36 36 ASP HB3 H 1 2.530 0.020 . 2 . . . . 60 ASP HB3 . 18845 1 439 . 1 1 36 36 ASP C C 13 175.970 0.200 . 1 . . . . 60 ASP C . 18845 1 440 . 1 1 36 36 ASP CA C 13 54.580 0.200 . 1 . . . . 60 ASP CA . 18845 1 441 . 1 1 36 36 ASP CB C 13 41.670 0.200 . 1 . . . . 60 ASP CB . 18845 1 442 . 1 1 36 36 ASP N N 15 117.150 0.200 . 1 . . . . 60 ASP N . 18845 1 443 . 1 1 37 37 ILE H H 1 8.800 0.020 . 1 . . . . 61 ILE HN . 18845 1 444 . 1 1 37 37 ILE HA H 1 4.160 0.020 . 1 . . . . 61 ILE HA . 18845 1 445 . 1 1 37 37 ILE HB H 1 1.500 0.020 . 1 . . . . 61 ILE HB . 18845 1 446 . 1 1 37 37 ILE HG12 H 1 0.990 0.020 . 2 . . . . 61 ILE HG12 . 18845 1 447 . 1 1 37 37 ILE HG13 H 1 1.480 0.020 . 2 . . . . 61 ILE HG13 . 18845 1 448 . 1 1 37 37 ILE HG21 H 1 0.590 0.020 . 1 . . . . 61 ILE MG . 18845 1 449 . 1 1 37 37 ILE HG22 H 1 0.590 0.020 . 1 . . . . 61 ILE MG . 18845 1 450 . 1 1 37 37 ILE HG23 H 1 0.590 0.020 . 1 . . . . 61 ILE MG . 18845 1 451 . 1 1 37 37 ILE HD11 H 1 0.420 0.020 . 1 . . . . 61 ILE MD . 18845 1 452 . 1 1 37 37 ILE HD12 H 1 0.420 0.020 . 1 . . . . 61 ILE MD . 18845 1 453 . 1 1 37 37 ILE HD13 H 1 0.420 0.020 . 1 . . . . 61 ILE MD . 18845 1 454 . 1 1 37 37 ILE C C 13 176.250 0.200 . 1 . . . . 61 ILE C . 18845 1 455 . 1 1 37 37 ILE CA C 13 60.840 0.200 . 1 . . . . 61 ILE CA . 18845 1 456 . 1 1 37 37 ILE CB C 13 40.960 0.200 . 1 . . . . 61 ILE CB . 18845 1 457 . 1 1 37 37 ILE CG1 C 13 27.240 0.200 . 1 . . . . 61 ILE CG1 . 18845 1 458 . 1 1 37 37 ILE CG2 C 13 18.100 0.200 . 1 . . . . 61 ILE CG2 . 18845 1 459 . 1 1 37 37 ILE CD1 C 13 14.550 0.200 . 1 . . . . 61 ILE CD1 . 18845 1 460 . 1 1 37 37 ILE N N 15 123.860 0.200 . 1 . . . . 61 ILE N . 18845 1 461 . 1 1 38 38 GLU H H 1 9.120 0.020 . 1 . . . . 62 GLU HN . 18845 1 462 . 1 1 38 38 GLU HA H 1 4.410 0.020 . 1 . . . . 62 GLU HA . 18845 1 463 . 1 1 38 38 GLU HB2 H 1 1.820 0.020 . 2 . . . . 62 GLU HB2 . 18845 1 464 . 1 1 38 38 GLU HB3 H 1 1.680 0.020 . 2 . . . . 62 GLU HB3 . 18845 1 465 . 1 1 38 38 GLU HG2 H 1 2.090 0.020 . 1 . . . . 62 GLU HG2 . 18845 1 466 . 1 1 38 38 GLU HG3 H 1 2.090 0.020 . 1 . . . . 62 GLU HG3 . 18845 1 467 . 1 1 38 38 GLU C C 13 175.640 0.200 . 1 . . . . 62 GLU C . 18845 1 468 . 1 1 38 38 GLU CA C 13 57.620 0.200 . 1 . . . . 62 GLU CA . 18845 1 469 . 1 1 38 38 GLU CB C 13 30.770 0.200 . 1 . . . . 62 GLU CB . 18845 1 470 . 1 1 38 38 GLU CG C 13 35.540 0.200 . 1 . . . . 62 GLU CG . 18845 1 471 . 1 1 38 38 GLU N N 15 128.020 0.200 . 1 . . . . 62 GLU N . 18845 1 472 . 1 1 39 39 GLU H H 1 7.540 0.020 . 1 . . . . 63 GLU HN . 18845 1 473 . 1 1 39 39 GLU HA H 1 4.600 0.020 . 1 . . . . 63 GLU HA . 18845 1 474 . 1 1 39 39 GLU HB2 H 1 2.010 0.020 . 1 . . . . 63 GLU HB2 . 18845 1 475 . 1 1 39 39 GLU HB3 H 1 2.010 0.020 . 1 . . . . 63 GLU HB3 . 18845 1 476 . 1 1 39 39 GLU HG2 H 1 2.060 0.020 . 2 . . . . 63 GLU HG2 . 18845 1 477 . 1 1 39 39 GLU HG3 H 1 2.210 0.020 . 2 . . . . 63 GLU HG3 . 18845 1 478 . 1 1 39 39 GLU C C 13 173.090 0.200 . 1 . . . . 63 GLU C . 18845 1 479 . 1 1 39 39 GLU CA C 13 55.530 0.200 . 1 . . . . 63 GLU CA . 18845 1 480 . 1 1 39 39 GLU CB C 13 33.810 0.200 . 1 . . . . 63 GLU CB . 18845 1 481 . 1 1 39 39 GLU CG C 13 36.740 0.200 . 1 . . . . 63 GLU CG . 18845 1 482 . 1 1 39 39 GLU N N 15 116.790 0.200 . 1 . . . . 63 GLU N . 18845 1 483 . 1 1 40 40 ALA H H 1 8.910 0.020 . 1 . . . . 64 ALA HN . 18845 1 484 . 1 1 40 40 ALA HA H 1 5.180 0.020 . 1 . . . . 64 ALA HA . 18845 1 485 . 1 1 40 40 ALA HB1 H 1 1.340 0.020 . 1 . . . . 64 ALA MB . 18845 1 486 . 1 1 40 40 ALA HB2 H 1 1.340 0.020 . 1 . . . . 64 ALA MB . 18845 1 487 . 1 1 40 40 ALA HB3 H 1 1.340 0.020 . 1 . . . . 64 ALA MB . 18845 1 488 . 1 1 40 40 ALA C C 13 174.090 0.200 . 1 . . . . 64 ALA C . 18845 1 489 . 1 1 40 40 ALA CA C 13 51.790 0.200 . 1 . . . . 64 ALA CA . 18845 1 490 . 1 1 40 40 ALA CB C 13 21.030 0.200 . 1 . . . . 64 ALA CB . 18845 1 491 . 1 1 40 40 ALA N N 15 128.360 0.200 . 1 . . . . 64 ALA N . 18845 1 492 . 1 1 41 41 VAL H H 1 8.750 0.020 . 1 . . . . 65 VAL HN . 18845 1 493 . 1 1 41 41 VAL HA H 1 4.710 0.020 . 1 . . . . 65 VAL HA . 18845 1 494 . 1 1 41 41 VAL HB H 1 1.970 0.020 . 1 . . . . 65 VAL HB . 18845 1 495 . 1 1 41 41 VAL HG11 H 1 0.970 0.020 . 1 . . . . 65 VAL MG1 . 18845 1 496 . 1 1 41 41 VAL HG12 H 1 0.970 0.020 . 1 . . . . 65 VAL MG1 . 18845 1 497 . 1 1 41 41 VAL HG13 H 1 0.970 0.020 . 1 . . . . 65 VAL MG1 . 18845 1 498 . 1 1 41 41 VAL HG21 H 1 0.960 0.020 . 1 . . . . 65 VAL MG2 . 18845 1 499 . 1 1 41 41 VAL HG22 H 1 0.960 0.020 . 1 . . . . 65 VAL MG2 . 18845 1 500 . 1 1 41 41 VAL HG23 H 1 0.960 0.020 . 1 . . . . 65 VAL MG2 . 18845 1 501 . 1 1 41 41 VAL C C 13 173.190 0.200 . 1 . . . . 65 VAL C . 18845 1 502 . 1 1 41 41 VAL CA C 13 59.350 0.200 . 1 . . . . 65 VAL CA . 18845 1 503 . 1 1 41 41 VAL CB C 13 36.150 0.200 . 1 . . . . 65 VAL CB . 18845 1 504 . 1 1 41 41 VAL CG1 C 13 20.840 0.200 . 1 . . . . 65 VAL CG1 . 18845 1 505 . 1 1 41 41 VAL CG2 C 13 20.570 0.200 . 1 . . . . 65 VAL CG2 . 18845 1 506 . 1 1 41 41 VAL N N 15 119.090 0.200 . 1 . . . . 65 VAL N . 18845 1 507 . 1 1 42 42 VAL H H 1 8.520 0.020 . 1 . . . . 66 VAL HN . 18845 1 508 . 1 1 42 42 VAL HA H 1 3.930 0.020 . 1 . . . . 66 VAL HA . 18845 1 509 . 1 1 42 42 VAL HB H 1 1.880 0.020 . 1 . . . . 66 VAL HB . 18845 1 510 . 1 1 42 42 VAL HG11 H 1 0.760 0.020 . 1 . . . . 66 VAL MG1 . 18845 1 511 . 1 1 42 42 VAL HG12 H 1 0.760 0.020 . 1 . . . . 66 VAL MG1 . 18845 1 512 . 1 1 42 42 VAL HG13 H 1 0.760 0.020 . 1 . . . . 66 VAL MG1 . 18845 1 513 . 1 1 42 42 VAL HG21 H 1 0.630 0.020 . 1 . . . . 66 VAL MG2 . 18845 1 514 . 1 1 42 42 VAL HG22 H 1 0.630 0.020 . 1 . . . . 66 VAL MG2 . 18845 1 515 . 1 1 42 42 VAL HG23 H 1 0.630 0.020 . 1 . . . . 66 VAL MG2 . 18845 1 516 . 1 1 42 42 VAL C C 13 176.240 0.200 . 1 . . . . 66 VAL C . 18845 1 517 . 1 1 42 42 VAL CA C 13 62.410 0.200 . 1 . . . . 66 VAL CA . 18845 1 518 . 1 1 42 42 VAL CB C 13 33.160 0.200 . 1 . . . . 66 VAL CB . 18845 1 519 . 1 1 42 42 VAL CG1 C 13 21.050 0.200 . 1 . . . . 66 VAL CG1 . 18845 1 520 . 1 1 42 42 VAL CG2 C 13 22.400 0.200 . 1 . . . . 66 VAL CG2 . 18845 1 521 . 1 1 42 42 VAL N N 15 124.920 0.200 . 1 . . . . 66 VAL N . 18845 1 522 . 1 1 43 43 ILE H H 1 8.720 0.020 . 1 . . . . 67 ILE HN . 18845 1 523 . 1 1 43 43 ILE HA H 1 4.070 0.020 . 1 . . . . 67 ILE HA . 18845 1 524 . 1 1 43 43 ILE HB H 1 1.220 0.020 . 1 . . . . 67 ILE HB . 18845 1 525 . 1 1 43 43 ILE HG12 H 1 1.470 0.020 . 2 . . . . 67 ILE HG12 . 18845 1 526 . 1 1 43 43 ILE HG13 H 1 1.460 0.020 . 2 . . . . 67 ILE HG13 . 18845 1 527 . 1 1 43 43 ILE HG21 H 1 0.850 0.020 . 1 . . . . 67 ILE MG . 18845 1 528 . 1 1 43 43 ILE HG22 H 1 0.850 0.020 . 1 . . . . 67 ILE MG . 18845 1 529 . 1 1 43 43 ILE HG23 H 1 0.850 0.020 . 1 . . . . 67 ILE MG . 18845 1 530 . 1 1 43 43 ILE HD11 H 1 0.920 0.020 . 1 . . . . 67 ILE MD . 18845 1 531 . 1 1 43 43 ILE HD12 H 1 0.920 0.020 . 1 . . . . 67 ILE MD . 18845 1 532 . 1 1 43 43 ILE HD13 H 1 0.920 0.020 . 1 . . . . 67 ILE MD . 18845 1 533 . 1 1 43 43 ILE C C 13 174.710 0.200 . 1 . . . . 67 ILE C . 18845 1 534 . 1 1 43 43 ILE CA C 13 59.280 0.200 . 1 . . . . 67 ILE CA . 18845 1 535 . 1 1 43 43 ILE CB C 13 34.230 0.200 . 1 . . . . 67 ILE CB . 18845 1 536 . 1 1 43 43 ILE CG1 C 13 27.400 0.200 . 1 . . . . 67 ILE CG1 . 18845 1 537 . 1 1 43 43 ILE CG2 C 13 17.440 0.200 . 1 . . . . 67 ILE CG2 . 18845 1 538 . 1 1 43 43 ILE CD1 C 13 8.950 0.200 . 1 . . . . 67 ILE CD1 . 18845 1 539 . 1 1 43 43 ILE N N 15 129.690 0.200 . 1 . . . . 67 ILE N . 18845 1 540 . 1 1 44 44 THR H H 1 7.970 0.020 . 1 . . . . 68 THR HN . 18845 1 541 . 1 1 44 44 THR HA H 1 4.790 0.020 . 1 . . . . 68 THR HA . 18845 1 542 . 1 1 44 44 THR HB H 1 3.720 0.020 . 1 . . . . 68 THR HB . 18845 1 543 . 1 1 44 44 THR HG21 H 1 0.980 0.020 . 1 . . . . 68 THR MG . 18845 1 544 . 1 1 44 44 THR HG22 H 1 0.980 0.020 . 1 . . . . 68 THR MG . 18845 1 545 . 1 1 44 44 THR HG23 H 1 0.980 0.020 . 1 . . . . 68 THR MG . 18845 1 546 . 1 1 44 44 THR C C 13 174.400 0.200 . 1 . . . . 68 THR C . 18845 1 547 . 1 1 44 44 THR CA C 13 59.190 0.200 . 1 . . . . 68 THR CA . 18845 1 548 . 1 1 44 44 THR CB C 13 71.700 0.200 . 1 . . . . 68 THR CB . 18845 1 549 . 1 1 44 44 THR CG2 C 13 21.320 0.200 . 1 . . . . 68 THR CG2 . 18845 1 550 . 1 1 44 44 THR N N 15 117.090 0.200 . 1 . . . . 68 THR N . 18845 1 551 . 1 1 45 45 ASP H H 1 8.550 0.020 . 1 . . . . 69 ASP HN . 18845 1 552 . 1 1 45 45 ASP HA H 1 4.610 0.020 . 1 . . . . 69 ASP HA . 18845 1 553 . 1 1 45 45 ASP HB2 H 1 3.110 0.020 . 2 . . . . 69 ASP HB2 . 18845 1 554 . 1 1 45 45 ASP HB3 H 1 2.490 0.020 . 2 . . . . 69 ASP HB3 . 18845 1 555 . 1 1 45 45 ASP C C 13 177.240 0.200 . 1 . . . . 69 ASP C . 18845 1 556 . 1 1 45 45 ASP CA C 13 53.820 0.200 . 1 . . . . 69 ASP CA . 18845 1 557 . 1 1 45 45 ASP CB C 13 42.670 0.200 . 1 . . . . 69 ASP CB . 18845 1 558 . 1 1 45 45 ASP N N 15 122.760 0.200 . 1 . . . . 69 ASP N . 18845 1 559 . 1 1 46 46 ARG H H 1 8.960 0.020 . 1 . . . . 70 ARG HN . 18845 1 560 . 1 1 46 46 ARG HA H 1 4.090 0.020 . 1 . . . . 70 ARG HA . 18845 1 561 . 1 1 46 46 ARG HB2 H 1 1.900 0.020 . 1 . . . . 70 ARG HB2 . 18845 1 562 . 1 1 46 46 ARG HB3 H 1 1.900 0.020 . 1 . . . . 70 ARG HB3 . 18845 1 563 . 1 1 46 46 ARG HG2 H 1 1.710 0.020 . 1 . . . . 70 ARG HG2 . 18845 1 564 . 1 1 46 46 ARG HG3 H 1 1.710 0.020 . 1 . . . . 70 ARG HG3 . 18845 1 565 . 1 1 46 46 ARG HD2 H 1 3.250 0.020 . 1 . . . . 70 ARG HD2 . 18845 1 566 . 1 1 46 46 ARG HD3 H 1 3.250 0.020 . 1 . . . . 70 ARG HD3 . 18845 1 567 . 1 1 46 46 ARG C C 13 176.820 0.200 . 1 . . . . 70 ARG C . 18845 1 568 . 1 1 46 46 ARG CA C 13 58.260 0.200 . 1 . . . . 70 ARG CA . 18845 1 569 . 1 1 46 46 ARG CB C 13 29.870 0.200 . 1 . . . . 70 ARG CB . 18845 1 570 . 1 1 46 46 ARG CG C 13 26.860 0.200 . 1 . . . . 70 ARG CG . 18845 1 571 . 1 1 46 46 ARG CD C 13 43.150 0.200 . 1 . . . . 70 ARG CD . 18845 1 572 . 1 1 46 46 ARG N N 15 126.750 0.200 . 1 . . . . 70 ARG N . 18845 1 573 . 1 1 47 47 ASN H H 1 8.790 0.020 . 1 . . . . 71 ASN HN . 18845 1 574 . 1 1 47 47 ASN HA H 1 4.750 0.020 . 1 . . . . 71 ASN HA . 18845 1 575 . 1 1 47 47 ASN HB2 H 1 2.870 0.020 . 2 . . . . 71 ASN HB2 . 18845 1 576 . 1 1 47 47 ASN HB3 H 1 3.010 0.020 . 2 . . . . 71 ASN HB3 . 18845 1 577 . 1 1 47 47 ASN HD21 H 1 7.910 0.020 . 2 . . . . 71 ASN HD21 . 18845 1 578 . 1 1 47 47 ASN HD22 H 1 7.010 0.020 . 2 . . . . 71 ASN HD22 . 18845 1 579 . 1 1 47 47 ASN C C 13 176.560 0.200 . 1 . . . . 71 ASN C . 18845 1 580 . 1 1 47 47 ASN CA C 13 55.210 0.200 . 1 . . . . 71 ASN CA . 18845 1 581 . 1 1 47 47 ASN CB C 13 39.090 0.200 . 1 . . . . 71 ASN CB . 18845 1 582 . 1 1 47 47 ASN N N 15 116.060 0.200 . 1 . . . . 71 ASN N . 18845 1 583 . 1 1 47 47 ASN ND2 N 15 114.550 0.200 . 1 . . . . 71 ASN ND2 . 18845 1 584 . 1 1 48 48 THR H H 1 8.110 0.020 . 1 . . . . 72 THR HN . 18845 1 585 . 1 1 48 48 THR HA H 1 4.380 0.020 . 1 . . . . 72 THR HA . 18845 1 586 . 1 1 48 48 THR HB H 1 4.350 0.020 . 1 . . . . 72 THR HB . 18845 1 587 . 1 1 48 48 THR HG21 H 1 1.200 0.020 . 1 . . . . 72 THR MG . 18845 1 588 . 1 1 48 48 THR HG22 H 1 1.200 0.020 . 1 . . . . 72 THR MG . 18845 1 589 . 1 1 48 48 THR HG23 H 1 1.200 0.020 . 1 . . . . 72 THR MG . 18845 1 590 . 1 1 48 48 THR C C 13 175.270 0.200 . 1 . . . . 72 THR C . 18845 1 591 . 1 1 48 48 THR CA C 13 61.670 0.200 . 1 . . . . 72 THR CA . 18845 1 592 . 1 1 48 48 THR CB C 13 70.680 0.200 . 1 . . . . 72 THR CB . 18845 1 593 . 1 1 48 48 THR CG2 C 13 21.220 0.200 . 1 . . . . 72 THR CG2 . 18845 1 594 . 1 1 48 48 THR N N 15 108.700 0.200 . 1 . . . . 72 THR N . 18845 1 595 . 1 1 49 49 GLN H H 1 8.330 0.020 . 1 . . . . 73 GLN HN . 18845 1 596 . 1 1 49 49 GLN HA H 1 3.980 0.020 . 1 . . . . 73 GLN HA . 18845 1 597 . 1 1 49 49 GLN HB2 H 1 2.380 0.020 . 1 . . . . 73 GLN HB2 . 18845 1 598 . 1 1 49 49 GLN HB3 H 1 2.380 0.020 . 1 . . . . 73 GLN HB3 . 18845 1 599 . 1 1 49 49 GLN HG2 H 1 2.310 0.020 . 1 . . . . 73 GLN HG2 . 18845 1 600 . 1 1 49 49 GLN HG3 H 1 2.310 0.020 . 1 . . . . 73 GLN HG3 . 18845 1 601 . 1 1 49 49 GLN HE21 H 1 7.440 0.020 . 2 . . . . 73 GLN HE21 . 18845 1 602 . 1 1 49 49 GLN HE22 H 1 6.750 0.020 . 2 . . . . 73 GLN HE22 . 18845 1 603 . 1 1 49 49 GLN C C 13 174.490 0.200 . 1 . . . . 73 GLN C . 18845 1 604 . 1 1 49 49 GLN CA C 13 57.390 0.200 . 1 . . . . 73 GLN CA . 18845 1 605 . 1 1 49 49 GLN CB C 13 26.240 0.200 . 1 . . . . 73 GLN CB . 18845 1 606 . 1 1 49 49 GLN CG C 13 34.250 0.200 . 1 . . . . 73 GLN CG . 18845 1 607 . 1 1 49 49 GLN N N 15 115.130 0.200 . 1 . . . . 73 GLN N . 18845 1 608 . 1 1 49 49 GLN NE2 N 15 112.720 0.200 . 1 . . . . 73 GLN NE2 . 18845 1 609 . 1 1 50 50 LYS H H 1 7.710 0.020 . 1 . . . . 74 LYS HN . 18845 1 610 . 1 1 50 50 LYS HA H 1 4.410 0.020 . 1 . . . . 74 LYS HA . 18845 1 611 . 1 1 50 50 LYS HB2 H 1 1.830 0.020 . 2 . . . . 74 LYS HB2 . 18845 1 612 . 1 1 50 50 LYS HB3 H 1 1.650 0.020 . 2 . . . . 74 LYS HB3 . 18845 1 613 . 1 1 50 50 LYS HG2 H 1 1.430 0.020 . 1 . . . . 74 LYS HG2 . 18845 1 614 . 1 1 50 50 LYS HG3 H 1 1.430 0.020 . 1 . . . . 74 LYS HG3 . 18845 1 615 . 1 1 50 50 LYS HD2 H 1 1.600 0.020 . 1 . . . . 74 LYS HD2 . 18845 1 616 . 1 1 50 50 LYS HD3 H 1 1.600 0.020 . 1 . . . . 74 LYS HD3 . 18845 1 617 . 1 1 50 50 LYS HE2 H 1 2.910 0.020 . 2 . . . . 74 LYS HE2 . 18845 1 618 . 1 1 50 50 LYS HE3 H 1 2.850 0.020 . 2 . . . . 74 LYS HE3 . 18845 1 619 . 1 1 50 50 LYS C C 13 176.280 0.200 . 1 . . . . 74 LYS C . 18845 1 620 . 1 1 50 50 LYS CA C 13 55.370 0.200 . 1 . . . . 74 LYS CA . 18845 1 621 . 1 1 50 50 LYS CB C 13 33.900 0.200 . 1 . . . . 74 LYS CB . 18845 1 622 . 1 1 50 50 LYS CG C 13 24.910 0.200 . 1 . . . . 74 LYS CG . 18845 1 623 . 1 1 50 50 LYS CD C 13 28.820 0.200 . 1 . . . . 74 LYS CD . 18845 1 624 . 1 1 50 50 LYS CE C 13 41.940 0.200 . 1 . . . . 74 LYS CE . 18845 1 625 . 1 1 50 50 LYS N N 15 118.400 0.200 . 1 . . . . 74 LYS N . 18845 1 626 . 1 1 51 51 SER H H 1 8.680 0.020 . 1 . . . . 75 SER HN . 18845 1 627 . 1 1 51 51 SER HA H 1 4.250 0.020 . 1 . . . . 75 SER HA . 18845 1 628 . 1 1 51 51 SER HB2 H 1 4.140 0.020 . 2 . . . . 75 SER HB2 . 18845 1 629 . 1 1 51 51 SER HB3 H 1 3.950 0.020 . 2 . . . . 75 SER HB3 . 18845 1 630 . 1 1 51 51 SER C C 13 175.880 0.200 . 1 . . . . 75 SER C . 18845 1 631 . 1 1 51 51 SER CA C 13 58.120 0.200 . 1 . . . . 75 SER CA . 18845 1 632 . 1 1 51 51 SER CB C 13 64.250 0.200 . 1 . . . . 75 SER CB . 18845 1 633 . 1 1 51 51 SER N N 15 116.650 0.200 . 1 . . . . 75 SER N . 18845 1 634 . 1 1 52 52 ARG H H 1 9.080 0.020 . 1 . . . . 76 ARG HN . 18845 1 635 . 1 1 52 52 ARG HA H 1 4.510 0.020 . 1 . . . . 76 ARG HA . 18845 1 636 . 1 1 52 52 ARG HB2 H 1 2.210 0.020 . 2 . . . . 76 ARG HB2 . 18845 1 637 . 1 1 52 52 ARG HB3 H 1 1.230 0.020 . 2 . . . . 76 ARG HB3 . 18845 1 638 . 1 1 52 52 ARG HG2 H 1 1.590 0.020 . 2 . . . . 76 ARG HG2 . 18845 1 639 . 1 1 52 52 ARG HG3 H 1 1.630 0.020 . 2 . . . . 76 ARG HG3 . 18845 1 640 . 1 1 52 52 ARG HD2 H 1 3.250 0.020 . 2 . . . . 76 ARG HD2 . 18845 1 641 . 1 1 52 52 ARG HD3 H 1 3.180 0.020 . 2 . . . . 76 ARG HD3 . 18845 1 642 . 1 1 52 52 ARG C C 13 177.440 0.200 . 1 . . . . 76 ARG C . 18845 1 643 . 1 1 52 52 ARG CA C 13 55.950 0.200 . 1 . . . . 76 ARG CA . 18845 1 644 . 1 1 52 52 ARG CB C 13 30.770 0.200 . 1 . . . . 76 ARG CB . 18845 1 645 . 1 1 52 52 ARG CG C 13 27.650 0.200 . 1 . . . . 76 ARG CG . 18845 1 646 . 1 1 52 52 ARG CD C 13 43.280 0.200 . 1 . . . . 76 ARG CD . 18845 1 647 . 1 1 52 52 ARG N N 15 123.390 0.200 . 1 . . . . 76 ARG N . 18845 1 648 . 1 1 53 53 GLY H H 1 9.590 0.020 . 1 . . . . 77 GLY HN . 18845 1 649 . 1 1 53 53 GLY HA2 H 1 4.080 0.020 . 2 . . . . 77 GLY HA2 . 18845 1 650 . 1 1 53 53 GLY HA3 H 1 3.290 0.020 . 2 . . . . 77 GLY HA3 . 18845 1 651 . 1 1 53 53 GLY C C 13 171.730 0.200 . 1 . . . . 77 GLY C . 18845 1 652 . 1 1 53 53 GLY CA C 13 45.540 0.200 . 1 . . . . 77 GLY CA . 18845 1 653 . 1 1 53 53 GLY N N 15 108.520 0.200 . 1 . . . . 77 GLY N . 18845 1 654 . 1 1 54 54 TYR H H 1 7.180 0.020 . 1 . . . . 78 TYR HN . 18845 1 655 . 1 1 54 54 TYR HA H 1 5.190 0.020 . 1 . . . . 78 TYR HA . 18845 1 656 . 1 1 54 54 TYR HB2 H 1 3.230 0.020 . 2 . . . . 78 TYR HB2 . 18845 1 657 . 1 1 54 54 TYR HB3 H 1 2.950 0.020 . 2 . . . . 78 TYR HB3 . 18845 1 658 . 1 1 54 54 TYR HD1 H 1 6.740 0.020 . 1 . . . . 78 TYR HD1 . 18845 1 659 . 1 1 54 54 TYR HD2 H 1 6.740 0.020 . 1 . . . . 78 TYR HD2 . 18845 1 660 . 1 1 54 54 TYR HE1 H 1 6.850 0.020 . 1 . . . . 78 TYR HE1 . 18845 1 661 . 1 1 54 54 TYR HE2 H 1 6.850 0.020 . 1 . . . . 78 TYR HE2 . 18845 1 662 . 1 1 54 54 TYR C C 13 172.120 0.200 . 1 . . . . 78 TYR C . 18845 1 663 . 1 1 54 54 TYR CA C 13 54.920 0.200 . 1 . . . . 78 TYR CA . 18845 1 664 . 1 1 54 54 TYR CB C 13 40.830 0.200 . 1 . . . . 78 TYR CB . 18845 1 665 . 1 1 54 54 TYR CD1 C 13 134.100 0.200 . 1 . . . . 78 TYR CD1 . 18845 1 666 . 1 1 54 54 TYR CD2 C 13 134.100 0.200 . 1 . . . . 78 TYR CD2 . 18845 1 667 . 1 1 54 54 TYR CE1 C 13 118.080 0.200 . 1 . . . . 78 TYR CE1 . 18845 1 668 . 1 1 54 54 TYR CE2 C 13 118.080 0.200 . 1 . . . . 78 TYR CE2 . 18845 1 669 . 1 1 54 54 TYR N N 15 112.450 0.200 . 1 . . . . 78 TYR N . 18845 1 670 . 1 1 55 55 GLY H H 1 8.990 0.020 . 1 . . . . 79 GLY HN . 18845 1 671 . 1 1 55 55 GLY HA2 H 1 3.960 0.020 . 2 . . . . 79 GLY HA2 . 18845 1 672 . 1 1 55 55 GLY HA3 H 1 4.290 0.020 . 2 . . . . 79 GLY HA3 . 18845 1 673 . 1 1 55 55 GLY C C 13 169.650 0.200 . 1 . . . . 79 GLY C . 18845 1 674 . 1 1 55 55 GLY CA C 13 45.320 0.200 . 1 . . . . 79 GLY CA . 18845 1 675 . 1 1 55 55 GLY N N 15 106.260 0.200 . 1 . . . . 79 GLY N . 18845 1 676 . 1 1 56 56 PHE H H 1 8.730 0.020 . 1 . . . . 80 PHE HN . 18845 1 677 . 1 1 56 56 PHE HA H 1 5.850 0.020 . 1 . . . . 80 PHE HA . 18845 1 678 . 1 1 56 56 PHE HB2 H 1 2.870 0.020 . 2 . . . . 80 PHE HB2 . 18845 1 679 . 1 1 56 56 PHE HB3 H 1 2.680 0.020 . 2 . . . . 80 PHE HB3 . 18845 1 680 . 1 1 56 56 PHE HD1 H 1 7.170 0.020 . 1 . . . . 80 PHE HD1 . 18845 1 681 . 1 1 56 56 PHE HD2 H 1 7.170 0.020 . 1 . . . . 80 PHE HD2 . 18845 1 682 . 1 1 56 56 PHE HE1 H 1 7.560 0.020 . 1 . . . . 80 PHE HE1 . 18845 1 683 . 1 1 56 56 PHE HE2 H 1 7.560 0.020 . 1 . . . . 80 PHE HE2 . 18845 1 684 . 1 1 56 56 PHE HZ H 1 7.590 0.020 . 1 . . . . 80 PHE HZ . 18845 1 685 . 1 1 56 56 PHE C C 13 175.230 0.200 . 1 . . . . 80 PHE C . 18845 1 686 . 1 1 56 56 PHE CA C 13 55.990 0.200 . 1 . . . . 80 PHE CA . 18845 1 687 . 1 1 56 56 PHE CB C 13 44.370 0.200 . 1 . . . . 80 PHE CB . 18845 1 688 . 1 1 56 56 PHE CD1 C 13 132.160 0.200 . 1 . . . . 80 PHE CD1 . 18845 1 689 . 1 1 56 56 PHE CD2 C 13 132.160 0.200 . 1 . . . . 80 PHE CD2 . 18845 1 690 . 1 1 56 56 PHE CE1 C 13 131.270 0.200 . 1 . . . . 80 PHE CE1 . 18845 1 691 . 1 1 56 56 PHE CE2 C 13 131.270 0.200 . 1 . . . . 80 PHE CE2 . 18845 1 692 . 1 1 56 56 PHE CZ C 13 129.710 0.200 . 1 . . . . 80 PHE CZ . 18845 1 693 . 1 1 56 56 PHE N N 15 113.110 0.200 . 1 . . . . 80 PHE N . 18845 1 694 . 1 1 57 57 VAL H H 1 9.090 0.020 . 1 . . . . 81 VAL HN . 18845 1 695 . 1 1 57 57 VAL HA H 1 4.710 0.020 . 1 . . . . 81 VAL HA . 18845 1 696 . 1 1 57 57 VAL HB H 1 1.180 0.020 . 1 . . . . 81 VAL HB . 18845 1 697 . 1 1 57 57 VAL HG11 H 1 0.580 0.020 . 1 . . . . 81 VAL MG1 . 18845 1 698 . 1 1 57 57 VAL HG12 H 1 0.580 0.020 . 1 . . . . 81 VAL MG1 . 18845 1 699 . 1 1 57 57 VAL HG13 H 1 0.580 0.020 . 1 . . . . 81 VAL MG1 . 18845 1 700 . 1 1 57 57 VAL HG21 H 1 0.410 0.020 . 1 . . . . 81 VAL MG2 . 18845 1 701 . 1 1 57 57 VAL HG22 H 1 0.410 0.020 . 1 . . . . 81 VAL MG2 . 18845 1 702 . 1 1 57 57 VAL HG23 H 1 0.410 0.020 . 1 . . . . 81 VAL MG2 . 18845 1 703 . 1 1 57 57 VAL C C 13 174.280 0.200 . 1 . . . . 81 VAL C . 18845 1 704 . 1 1 57 57 VAL CA C 13 60.450 0.200 . 1 . . . . 81 VAL CA . 18845 1 705 . 1 1 57 57 VAL CB C 13 35.090 0.200 . 1 . . . . 81 VAL CB . 18845 1 706 . 1 1 57 57 VAL CG1 C 13 21.570 0.200 . 1 . . . . 81 VAL CG1 . 18845 1 707 . 1 1 57 57 VAL CG2 C 13 21.380 0.200 . 1 . . . . 81 VAL CG2 . 18845 1 708 . 1 1 57 57 VAL N N 15 122.760 0.200 . 1 . . . . 81 VAL N . 18845 1 709 . 1 1 58 58 THR H H 1 9.530 0.020 . 1 . . . . 82 THR HN . 18845 1 710 . 1 1 58 58 THR HA H 1 5.090 0.020 . 1 . . . . 82 THR HA . 18845 1 711 . 1 1 58 58 THR HB H 1 3.940 0.020 . 1 . . . . 82 THR HB . 18845 1 712 . 1 1 58 58 THR HG21 H 1 1.150 0.020 . 1 . . . . 82 THR MG . 18845 1 713 . 1 1 58 58 THR HG22 H 1 1.150 0.020 . 1 . . . . 82 THR MG . 18845 1 714 . 1 1 58 58 THR HG23 H 1 1.150 0.020 . 1 . . . . 82 THR MG . 18845 1 715 . 1 1 58 58 THR C C 13 174.730 0.200 . 1 . . . . 82 THR C . 18845 1 716 . 1 1 58 58 THR CA C 13 61.220 0.200 . 1 . . . . 82 THR CA . 18845 1 717 . 1 1 58 58 THR CB C 13 69.370 0.200 . 1 . . . . 82 THR CB . 18845 1 718 . 1 1 58 58 THR CG2 C 13 21.550 0.200 . 1 . . . . 82 THR CG2 . 18845 1 719 . 1 1 58 58 THR N N 15 124.940 0.200 . 1 . . . . 82 THR N . 18845 1 720 . 1 1 59 59 MET H H 1 8.480 0.020 . 1 . . . . 83 MET HN . 18845 1 721 . 1 1 59 59 MET HA H 1 5.110 0.020 . 1 . . . . 83 MET HA . 18845 1 722 . 1 1 59 59 MET HB2 H 1 2.010 0.020 . 2 . . . . 83 MET HB2 . 18845 1 723 . 1 1 59 59 MET HB3 H 1 2.550 0.020 . 2 . . . . 83 MET HB3 . 18845 1 724 . 1 1 59 59 MET HG2 H 1 2.560 0.020 . 2 . . . . 83 MET HG2 . 18845 1 725 . 1 1 59 59 MET HG3 H 1 2.260 0.020 . 2 . . . . 83 MET HG3 . 18845 1 726 . 1 1 59 59 MET HE1 H 1 1.940 0.020 . 1 . . . . 83 MET ME . 18845 1 727 . 1 1 59 59 MET HE2 H 1 1.940 0.020 . 1 . . . . 83 MET ME . 18845 1 728 . 1 1 59 59 MET HE3 H 1 1.940 0.020 . 1 . . . . 83 MET ME . 18845 1 729 . 1 1 59 59 MET C C 13 175.910 0.200 . 1 . . . . 83 MET C . 18845 1 730 . 1 1 59 59 MET CA C 13 52.700 0.200 . 1 . . . . 83 MET CA . 18845 1 731 . 1 1 59 59 MET CB C 13 31.730 0.200 . 1 . . . . 83 MET CB . 18845 1 732 . 1 1 59 59 MET CG C 13 32.460 0.200 . 1 . . . . 83 MET CG . 18845 1 733 . 1 1 59 59 MET CE C 13 16.710 0.200 . 1 . . . . 83 MET CE . 18845 1 734 . 1 1 59 59 MET N N 15 125.220 0.200 . 1 . . . . 83 MET N . 18845 1 735 . 1 1 60 60 LYS H H 1 8.360 0.020 . 1 . . . . 84 LYS HN . 18845 1 736 . 1 1 60 60 LYS HA H 1 4.110 0.020 . 1 . . . . 84 LYS HA . 18845 1 737 . 1 1 60 60 LYS HB2 H 1 1.910 0.020 . 2 . . . . 84 LYS HB2 . 18845 1 738 . 1 1 60 60 LYS HB3 H 1 1.730 0.020 . 2 . . . . 84 LYS HB3 . 18845 1 739 . 1 1 60 60 LYS HG2 H 1 1.380 0.020 . 1 . . . . 84 LYS HG2 . 18845 1 740 . 1 1 60 60 LYS HG3 H 1 1.380 0.020 . 1 . . . . 84 LYS HG3 . 18845 1 741 . 1 1 60 60 LYS HD2 H 1 1.720 0.020 . 1 . . . . 84 LYS HD2 . 18845 1 742 . 1 1 60 60 LYS HD3 H 1 1.720 0.020 . 1 . . . . 84 LYS HD3 . 18845 1 743 . 1 1 60 60 LYS HE2 H 1 2.960 0.020 . 2 . . . . 84 LYS HE2 . 18845 1 744 . 1 1 60 60 LYS HE3 H 1 2.940 0.020 . 2 . . . . 84 LYS HE3 . 18845 1 745 . 1 1 60 60 LYS C C 13 175.490 0.200 . 1 . . . . 84 LYS C . 18845 1 746 . 1 1 60 60 LYS CA C 13 58.840 0.200 . 1 . . . . 84 LYS CA . 18845 1 747 . 1 1 60 60 LYS CB C 13 33.000 0.200 . 1 . . . . 84 LYS CB . 18845 1 748 . 1 1 60 60 LYS CG C 13 25.990 0.200 . 1 . . . . 84 LYS CG . 18845 1 749 . 1 1 60 60 LYS CD C 13 29.080 0.200 . 1 . . . . 84 LYS CD . 18845 1 750 . 1 1 60 60 LYS CE C 13 41.800 0.200 . 1 . . . . 84 LYS CE . 18845 1 751 . 1 1 60 60 LYS N N 15 117.750 0.200 . 1 . . . . 84 LYS N . 18845 1 752 . 1 1 61 61 ASP H H 1 7.710 0.020 . 1 . . . . 85 ASP HN . 18845 1 753 . 1 1 61 61 ASP HA H 1 4.890 0.020 . 1 . . . . 85 ASP HA . 18845 1 754 . 1 1 61 61 ASP HB2 H 1 2.750 0.020 . 2 . . . . 85 ASP HB2 . 18845 1 755 . 1 1 61 61 ASP HB3 H 1 2.990 0.020 . 2 . . . . 85 ASP HB3 . 18845 1 756 . 1 1 61 61 ASP C C 13 175.090 0.200 . 1 . . . . 85 ASP C . 18845 1 757 . 1 1 61 61 ASP CA C 13 52.130 0.200 . 1 . . . . 85 ASP CA . 18845 1 758 . 1 1 61 61 ASP CB C 13 43.890 0.200 . 1 . . . . 85 ASP CB . 18845 1 759 . 1 1 61 61 ASP N N 15 112.240 0.200 . 1 . . . . 85 ASP N . 18845 1 760 . 1 1 62 62 ARG H H 1 8.750 0.020 . 1 . . . . 86 ARG HN . 18845 1 761 . 1 1 62 62 ARG HA H 1 4.030 0.020 . 1 . . . . 86 ARG HA . 18845 1 762 . 1 1 62 62 ARG HB2 H 1 1.880 0.020 . 1 . . . . 86 ARG HB2 . 18845 1 763 . 1 1 62 62 ARG HB3 H 1 1.880 0.020 . 1 . . . . 86 ARG HB3 . 18845 1 764 . 1 1 62 62 ARG HG2 H 1 1.640 0.020 . 2 . . . . 86 ARG HG2 . 18845 1 765 . 1 1 62 62 ARG HG3 H 1 1.780 0.020 . 2 . . . . 86 ARG HG3 . 18845 1 766 . 1 1 62 62 ARG HD2 H 1 2.980 0.020 . 1 . . . . 86 ARG HD2 . 18845 1 767 . 1 1 62 62 ARG HD3 H 1 2.980 0.020 . 1 . . . . 86 ARG HD3 . 18845 1 768 . 1 1 62 62 ARG C C 13 177.850 0.200 . 1 . . . . 86 ARG C . 18845 1 769 . 1 1 62 62 ARG CA C 13 58.960 0.200 . 1 . . . . 86 ARG CA . 18845 1 770 . 1 1 62 62 ARG CB C 13 30.270 0.200 . 1 . . . . 86 ARG CB . 18845 1 771 . 1 1 62 62 ARG CG C 13 26.650 0.200 . 1 . . . . 86 ARG CG . 18845 1 772 . 1 1 62 62 ARG CD C 13 43.630 0.200 . 1 . . . . 86 ARG CD . 18845 1 773 . 1 1 62 62 ARG N N 15 121.850 0.200 . 1 . . . . 86 ARG N . 18845 1 774 . 1 1 63 63 ALA H H 1 8.660 0.020 . 1 . . . . 87 ALA HN . 18845 1 775 . 1 1 63 63 ALA HA H 1 4.230 0.020 . 1 . . . . 87 ALA HA . 18845 1 776 . 1 1 63 63 ALA HB1 H 1 1.520 0.020 . 1 . . . . 87 ALA MB . 18845 1 777 . 1 1 63 63 ALA HB2 H 1 1.520 0.020 . 1 . . . . 87 ALA MB . 18845 1 778 . 1 1 63 63 ALA HB3 H 1 1.520 0.020 . 1 . . . . 87 ALA MB . 18845 1 779 . 1 1 63 63 ALA C C 13 181.030 0.200 . 1 . . . . 87 ALA C . 18845 1 780 . 1 1 63 63 ALA CA C 13 55.360 0.200 . 1 . . . . 87 ALA CA . 18845 1 781 . 1 1 63 63 ALA CB C 13 17.860 0.200 . 1 . . . . 87 ALA CB . 18845 1 782 . 1 1 63 63 ALA N N 15 123.300 0.200 . 1 . . . . 87 ALA N . 18845 1 783 . 1 1 64 64 SER H H 1 8.360 0.020 . 1 . . . . 88 SER HN . 18845 1 784 . 1 1 64 64 SER HA H 1 4.330 0.020 . 1 . . . . 88 SER HA . 18845 1 785 . 1 1 64 64 SER HB2 H 1 4.050 0.020 . 2 . . . . 88 SER HB2 . 18845 1 786 . 1 1 64 64 SER HB3 H 1 3.880 0.020 . 2 . . . . 88 SER HB3 . 18845 1 787 . 1 1 64 64 SER C C 13 176.030 0.200 . 1 . . . . 88 SER C . 18845 1 788 . 1 1 64 64 SER CA C 13 61.980 0.200 . 1 . . . . 88 SER CA . 18845 1 789 . 1 1 64 64 SER CB C 13 63.000 0.200 . 1 . . . . 88 SER CB . 18845 1 790 . 1 1 64 64 SER N N 15 115.170 0.200 . 1 . . . . 88 SER N . 18845 1 791 . 1 1 65 65 ALA H H 1 7.540 0.020 . 1 . . . . 89 ALA HN . 18845 1 792 . 1 1 65 65 ALA HA H 1 4.100 0.020 . 1 . . . . 89 ALA HA . 18845 1 793 . 1 1 65 65 ALA HB1 H 1 1.550 0.020 . 1 . . . . 89 ALA MB . 18845 1 794 . 1 1 65 65 ALA HB2 H 1 1.550 0.020 . 1 . . . . 89 ALA MB . 18845 1 795 . 1 1 65 65 ALA HB3 H 1 1.550 0.020 . 1 . . . . 89 ALA MB . 18845 1 796 . 1 1 65 65 ALA C C 13 178.420 0.200 . 1 . . . . 89 ALA C . 18845 1 797 . 1 1 65 65 ALA CA C 13 55.510 0.200 . 1 . . . . 89 ALA CA . 18845 1 798 . 1 1 65 65 ALA CB C 13 18.370 0.200 . 1 . . . . 89 ALA CB . 18845 1 799 . 1 1 65 65 ALA N N 15 124.210 0.200 . 1 . . . . 89 ALA N . 18845 1 800 . 1 1 66 66 GLU H H 1 8.550 0.020 . 1 . . . . 90 GLU HN . 18845 1 801 . 1 1 66 66 GLU HA H 1 4.000 0.020 . 1 . . . . 90 GLU HA . 18845 1 802 . 1 1 66 66 GLU HB2 H 1 2.080 0.020 . 2 . . . . 90 GLU HB2 . 18845 1 803 . 1 1 66 66 GLU HB3 H 1 2.190 0.020 . 2 . . . . 90 GLU HB3 . 18845 1 804 . 1 1 66 66 GLU HG2 H 1 2.540 0.020 . 2 . . . . 90 GLU HG2 . 18845 1 805 . 1 1 66 66 GLU HG3 H 1 2.230 0.020 . 2 . . . . 90 GLU HG3 . 18845 1 806 . 1 1 66 66 GLU C C 13 180.630 0.200 . 1 . . . . 90 GLU C . 18845 1 807 . 1 1 66 66 GLU CA C 13 59.770 0.200 . 1 . . . . 90 GLU CA . 18845 1 808 . 1 1 66 66 GLU CB C 13 29.080 0.200 . 1 . . . . 90 GLU CB . 18845 1 809 . 1 1 66 66 GLU CG C 13 36.910 0.200 . 1 . . . . 90 GLU CG . 18845 1 810 . 1 1 66 66 GLU N N 15 118.830 0.200 . 1 . . . . 90 GLU N . 18845 1 811 . 1 1 67 67 ARG H H 1 7.920 0.020 . 1 . . . . 91 ARG HN . 18845 1 812 . 1 1 67 67 ARG HA H 1 3.980 0.020 . 1 . . . . 91 ARG HA . 18845 1 813 . 1 1 67 67 ARG HB2 H 1 2.060 0.020 . 2 . . . . 91 ARG HB2 . 18845 1 814 . 1 1 67 67 ARG HB3 H 1 2.340 0.020 . 2 . . . . 91 ARG HB3 . 18845 1 815 . 1 1 67 67 ARG HG2 H 1 2.080 0.020 . 2 . . . . 91 ARG HG2 . 18845 1 816 . 1 1 67 67 ARG HG3 H 1 1.740 0.020 . 2 . . . . 91 ARG HG3 . 18845 1 817 . 1 1 67 67 ARG HD2 H 1 3.590 0.020 . 2 . . . . 91 ARG HD2 . 18845 1 818 . 1 1 67 67 ARG HD3 H 1 3.430 0.020 . 2 . . . . 91 ARG HD3 . 18845 1 819 . 1 1 67 67 ARG C C 13 178.480 0.200 . 1 . . . . 91 ARG C . 18845 1 820 . 1 1 67 67 ARG CA C 13 60.080 0.200 . 1 . . . . 91 ARG CA . 18845 1 821 . 1 1 67 67 ARG CB C 13 31.040 0.200 . 1 . . . . 91 ARG CB . 18845 1 822 . 1 1 67 67 ARG CG C 13 28.900 0.200 . 1 . . . . 91 ARG CG . 18845 1 823 . 1 1 67 67 ARG CD C 13 44.000 0.200 . 1 . . . . 91 ARG CD . 18845 1 824 . 1 1 67 67 ARG N N 15 119.150 0.200 . 1 . . . . 91 ARG N . 18845 1 825 . 1 1 68 68 ALA H H 1 7.910 0.020 . 1 . . . . 92 ALA HN . 18845 1 826 . 1 1 68 68 ALA HA H 1 2.020 0.020 . 1 . . . . 92 ALA HA . 18845 1 827 . 1 1 68 68 ALA HB1 H 1 1.440 0.020 . 1 . . . . 92 ALA MB . 18845 1 828 . 1 1 68 68 ALA HB2 H 1 1.440 0.020 . 1 . . . . 92 ALA MB . 18845 1 829 . 1 1 68 68 ALA HB3 H 1 1.440 0.020 . 1 . . . . 92 ALA MB . 18845 1 830 . 1 1 68 68 ALA C C 13 176.620 0.200 . 1 . . . . 92 ALA C . 18845 1 831 . 1 1 68 68 ALA CA C 13 53.120 0.200 . 1 . . . . 92 ALA CA . 18845 1 832 . 1 1 68 68 ALA CB C 13 19.940 0.200 . 1 . . . . 92 ALA CB . 18845 1 833 . 1 1 68 68 ALA N N 15 121.140 0.200 . 1 . . . . 92 ALA N . 18845 1 834 . 1 1 69 69 CYS H H 1 7.150 0.020 . 1 . . . . 93 CYS HN . 18845 1 835 . 1 1 69 69 CYS HA H 1 4.310 0.020 . 1 . . . . 93 CYS HA . 18845 1 836 . 1 1 69 69 CYS HB2 H 1 2.800 0.020 . 2 . . . . 93 CYS HB2 . 18845 1 837 . 1 1 69 69 CYS HB3 H 1 3.050 0.020 . 2 . . . . 93 CYS HB3 . 18845 1 838 . 1 1 69 69 CYS C C 13 174.310 0.200 . 1 . . . . 93 CYS C . 18845 1 839 . 1 1 69 69 CYS CA C 13 59.510 0.200 . 1 . . . . 93 CYS CA . 18845 1 840 . 1 1 69 69 CYS CB C 13 28.400 0.200 . 1 . . . . 93 CYS CB . 18845 1 841 . 1 1 69 69 CYS N N 15 111.040 0.200 . 1 . . . . 93 CYS N . 18845 1 842 . 1 1 70 70 LYS H H 1 7.050 0.020 . 1 . . . . 94 LYS HN . 18845 1 843 . 1 1 70 70 LYS HA H 1 3.900 0.020 . 1 . . . . 94 LYS HA . 18845 1 844 . 1 1 70 70 LYS HB2 H 1 1.900 0.020 . 2 . . . . 94 LYS HB2 . 18845 1 845 . 1 1 70 70 LYS HB3 H 1 1.820 0.020 . 2 . . . . 94 LYS HB3 . 18845 1 846 . 1 1 70 70 LYS HG2 H 1 1.590 0.020 . 2 . . . . 94 LYS HG2 . 18845 1 847 . 1 1 70 70 LYS HG3 H 1 1.560 0.020 . 2 . . . . 94 LYS HG3 . 18845 1 848 . 1 1 70 70 LYS HD2 H 1 1.760 0.020 . 1 . . . . 94 LYS HD2 . 18845 1 849 . 1 1 70 70 LYS HD3 H 1 1.760 0.020 . 1 . . . . 94 LYS HD3 . 18845 1 850 . 1 1 70 70 LYS HE2 H 1 3.020 0.020 . 1 . . . . 94 LYS HE2 . 18845 1 851 . 1 1 70 70 LYS HE3 H 1 3.020 0.020 . 1 . . . . 94 LYS HE3 . 18845 1 852 . 1 1 70 70 LYS C C 13 176.520 0.200 . 1 . . . . 94 LYS C . 18845 1 853 . 1 1 70 70 LYS CA C 13 59.260 0.200 . 1 . . . . 94 LYS CA . 18845 1 854 . 1 1 70 70 LYS CB C 13 32.100 0.200 . 1 . . . . 94 LYS CB . 18845 1 855 . 1 1 70 70 LYS CG C 13 24.610 0.200 . 1 . . . . 94 LYS CG . 18845 1 856 . 1 1 70 70 LYS CD C 13 28.720 0.200 . 1 . . . . 94 LYS CD . 18845 1 857 . 1 1 70 70 LYS CE C 13 41.940 0.200 . 1 . . . . 94 LYS CE . 18845 1 858 . 1 1 70 70 LYS N N 15 121.900 0.200 . 1 . . . . 94 LYS N . 18845 1 859 . 1 1 71 71 ASP H H 1 7.780 0.020 . 1 . . . . 95 ASP HN . 18845 1 860 . 1 1 71 71 ASP HA H 1 5.140 0.020 . 1 . . . . 95 ASP HA . 18845 1 861 . 1 1 71 71 ASP HB2 H 1 2.830 0.020 . 2 . . . . 95 ASP HB2 . 18845 1 862 . 1 1 71 71 ASP HB3 H 1 2.500 0.020 . 2 . . . . 95 ASP HB3 . 18845 1 863 . 1 1 71 71 ASP C C 13 174.720 0.200 . 1 . . . . 95 ASP C . 18845 1 864 . 1 1 71 71 ASP CA C 13 49.520 0.200 . 1 . . . . 95 ASP CA . 18845 1 865 . 1 1 71 71 ASP CB C 13 40.810 0.200 . 1 . . . . 95 ASP CB . 18845 1 866 . 1 1 71 71 ASP N N 15 116.810 0.200 . 1 . . . . 95 ASP N . 18845 1 867 . 1 1 72 72 PRO HA H 1 4.690 0.020 . 1 . . . . 96 PRO HA . 18845 1 868 . 1 1 72 72 PRO HB2 H 1 2.150 0.020 . 2 . . . . 96 PRO HB2 . 18845 1 869 . 1 1 72 72 PRO HB3 H 1 2.510 0.020 . 2 . . . . 96 PRO HB3 . 18845 1 870 . 1 1 72 72 PRO HG2 H 1 2.080 0.020 . 1 . . . . 96 PRO HG2 . 18845 1 871 . 1 1 72 72 PRO HG3 H 1 2.080 0.020 . 1 . . . . 96 PRO HG3 . 18845 1 872 . 1 1 72 72 PRO HD2 H 1 4.110 0.020 . 2 . . . . 96 PRO HD2 . 18845 1 873 . 1 1 72 72 PRO HD3 H 1 4.000 0.020 . 2 . . . . 96 PRO HD3 . 18845 1 874 . 1 1 72 72 PRO C C 13 176.680 0.200 . 1 . . . . 96 PRO C . 18845 1 875 . 1 1 72 72 PRO CA C 13 63.350 0.200 . 1 . . . . 96 PRO CA . 18845 1 876 . 1 1 72 72 PRO CB C 13 32.970 0.200 . 1 . . . . 96 PRO CB . 18845 1 877 . 1 1 72 72 PRO CG C 13 26.300 0.200 . 1 . . . . 96 PRO CG . 18845 1 878 . 1 1 72 72 PRO CD C 13 50.940 0.200 . 1 . . . . 96 PRO CD . 18845 1 879 . 1 1 73 73 ASN H H 1 8.180 0.020 . 1 . . . . 97 ASN HN . 18845 1 880 . 1 1 73 73 ASN HA H 1 6.000 0.020 . 1 . . . . 97 ASN HA . 18845 1 881 . 1 1 73 73 ASN HB2 H 1 2.780 0.020 . 2 . . . . 97 ASN HB2 . 18845 1 882 . 1 1 73 73 ASN HB3 H 1 2.490 0.020 . 2 . . . . 97 ASN HB3 . 18845 1 883 . 1 1 73 73 ASN HD21 H 1 8.000 0.020 . 2 . . . . 97 ASN HD21 . 18845 1 884 . 1 1 73 73 ASN HD22 H 1 6.950 0.020 . 2 . . . . 97 ASN HD22 . 18845 1 885 . 1 1 73 73 ASN C C 13 170.820 0.200 . 1 . . . . 97 ASN C . 18845 1 886 . 1 1 73 73 ASN CA C 13 50.960 0.200 . 1 . . . . 97 ASN CA . 18845 1 887 . 1 1 73 73 ASN CB C 13 41.610 0.200 . 1 . . . . 97 ASN CB . 18845 1 888 . 1 1 73 73 ASN N N 15 117.000 0.200 . 1 . . . . 97 ASN N . 18845 1 889 . 1 1 73 73 ASN ND2 N 15 113.230 0.200 . 1 . . . . 97 ASN ND2 . 18845 1 890 . 1 1 74 74 PRO HA H 1 4.460 0.020 . 1 . . . . 98 PRO HA . 18845 1 891 . 1 1 74 74 PRO HB2 H 1 1.550 0.020 . 2 . . . . 98 PRO HB2 . 18845 1 892 . 1 1 74 74 PRO HB3 H 1 2.130 0.020 . 2 . . . . 98 PRO HB3 . 18845 1 893 . 1 1 74 74 PRO HG2 H 1 1.940 0.020 . 1 . . . . 98 PRO HG2 . 18845 1 894 . 1 1 74 74 PRO HG3 H 1 1.940 0.020 . 1 . . . . 98 PRO HG3 . 18845 1 895 . 1 1 74 74 PRO HD2 H 1 3.200 0.020 . 2 . . . . 98 PRO HD2 . 18845 1 896 . 1 1 74 74 PRO HD3 H 1 3.580 0.020 . 2 . . . . 98 PRO HD3 . 18845 1 897 . 1 1 74 74 PRO C C 13 174.370 0.200 . 1 . . . . 98 PRO C . 18845 1 898 . 1 1 74 74 PRO CA C 13 62.850 0.200 . 1 . . . . 98 PRO CA . 18845 1 899 . 1 1 74 74 PRO CB C 13 32.370 0.200 . 1 . . . . 98 PRO CB . 18845 1 900 . 1 1 74 74 PRO CG C 13 26.680 0.200 . 1 . . . . 98 PRO CG . 18845 1 901 . 1 1 74 74 PRO CD C 13 49.210 0.200 . 1 . . . . 98 PRO CD . 18845 1 902 . 1 1 75 75 ILE H H 1 8.010 0.020 . 1 . . . . 99 ILE HN . 18845 1 903 . 1 1 75 75 ILE HA H 1 4.290 0.020 . 1 . . . . 99 ILE HA . 18845 1 904 . 1 1 75 75 ILE HB H 1 1.790 0.020 . 1 . . . . 99 ILE HB . 18845 1 905 . 1 1 75 75 ILE HG12 H 1 1.120 0.020 . 2 . . . . 99 ILE HG12 . 18845 1 906 . 1 1 75 75 ILE HG13 H 1 1.480 0.020 . 2 . . . . 99 ILE HG13 . 18845 1 907 . 1 1 75 75 ILE HG21 H 1 0.580 0.020 . 1 . . . . 99 ILE MG . 18845 1 908 . 1 1 75 75 ILE HG22 H 1 0.580 0.020 . 1 . . . . 99 ILE MG . 18845 1 909 . 1 1 75 75 ILE HG23 H 1 0.580 0.020 . 1 . . . . 99 ILE MG . 18845 1 910 . 1 1 75 75 ILE HD11 H 1 0.730 0.020 . 1 . . . . 99 ILE MD . 18845 1 911 . 1 1 75 75 ILE HD12 H 1 0.730 0.020 . 1 . . . . 99 ILE MD . 18845 1 912 . 1 1 75 75 ILE HD13 H 1 0.730 0.020 . 1 . . . . 99 ILE MD . 18845 1 913 . 1 1 75 75 ILE C C 13 175.530 0.200 . 1 . . . . 99 ILE C . 18845 1 914 . 1 1 75 75 ILE CA C 13 59.670 0.200 . 1 . . . . 99 ILE CA . 18845 1 915 . 1 1 75 75 ILE CB C 13 35.980 0.200 . 1 . . . . 99 ILE CB . 18845 1 916 . 1 1 75 75 ILE CG1 C 13 27.430 0.200 . 1 . . . . 99 ILE CG1 . 18845 1 917 . 1 1 75 75 ILE CG2 C 13 17.150 0.200 . 1 . . . . 99 ILE CG2 . 18845 1 918 . 1 1 75 75 ILE CD1 C 13 11.270 0.200 . 1 . . . . 99 ILE CD1 . 18845 1 919 . 1 1 75 75 ILE N N 15 118.740 0.200 . 1 . . . . 99 ILE N . 18845 1 920 . 1 1 76 76 ILE H H 1 8.490 0.020 . 1 . . . . 100 ILE HN . 18845 1 921 . 1 1 76 76 ILE HA H 1 3.790 0.020 . 1 . . . . 100 ILE HA . 18845 1 922 . 1 1 76 76 ILE HB H 1 1.280 0.020 . 1 . . . . 100 ILE HB . 18845 1 923 . 1 1 76 76 ILE HG12 H 1 -0.340 0.020 . 2 . . . . 100 ILE HG12 . 18845 1 924 . 1 1 76 76 ILE HG13 H 1 0.790 0.020 . 2 . . . . 100 ILE HG13 . 18845 1 925 . 1 1 76 76 ILE HG21 H 1 0.470 0.020 . 1 . . . . 100 ILE MG . 18845 1 926 . 1 1 76 76 ILE HG22 H 1 0.470 0.020 . 1 . . . . 100 ILE MG . 18845 1 927 . 1 1 76 76 ILE HG23 H 1 0.470 0.020 . 1 . . . . 100 ILE MG . 18845 1 928 . 1 1 76 76 ILE HD11 H 1 0.220 0.020 . 1 . . . . 100 ILE MD . 18845 1 929 . 1 1 76 76 ILE HD12 H 1 0.220 0.020 . 1 . . . . 100 ILE MD . 18845 1 930 . 1 1 76 76 ILE HD13 H 1 0.220 0.020 . 1 . . . . 100 ILE MD . 18845 1 931 . 1 1 76 76 ILE C C 13 174.400 0.200 . 1 . . . . 100 ILE C . 18845 1 932 . 1 1 76 76 ILE CA C 13 60.590 0.200 . 1 . . . . 100 ILE CA . 18845 1 933 . 1 1 76 76 ILE CB C 13 39.960 0.200 . 1 . . . . 100 ILE CB . 18845 1 934 . 1 1 76 76 ILE CG1 C 13 25.810 0.200 . 1 . . . . 100 ILE CG1 . 18845 1 935 . 1 1 76 76 ILE CG2 C 13 15.970 0.200 . 1 . . . . 100 ILE CG2 . 18845 1 936 . 1 1 76 76 ILE CD1 C 13 13.560 0.200 . 1 . . . . 100 ILE CD1 . 18845 1 937 . 1 1 76 76 ILE N N 15 128.540 0.200 . 1 . . . . 100 ILE N . 18845 1 938 . 1 1 77 77 ASP H H 1 8.970 0.020 . 1 . . . . 101 ASP HN . 18845 1 939 . 1 1 77 77 ASP HA H 1 4.240 0.020 . 1 . . . . 101 ASP HA . 18845 1 940 . 1 1 77 77 ASP HB2 H 1 2.990 0.020 . 2 . . . . 101 ASP HB2 . 18845 1 941 . 1 1 77 77 ASP HB3 H 1 2.200 0.020 . 2 . . . . 101 ASP HB3 . 18845 1 942 . 1 1 77 77 ASP C C 13 176.020 0.200 . 1 . . . . 101 ASP C . 18845 1 943 . 1 1 77 77 ASP CA C 13 54.900 0.200 . 1 . . . . 101 ASP CA . 18845 1 944 . 1 1 77 77 ASP CB C 13 40.030 0.200 . 1 . . . . 101 ASP CB . 18845 1 945 . 1 1 77 77 ASP N N 15 126.120 0.200 . 1 . . . . 101 ASP N . 18845 1 946 . 1 1 78 78 GLY H H 1 8.040 0.020 . 1 . . . . 102 GLY HN . 18845 1 947 . 1 1 78 78 GLY HA2 H 1 4.130 0.020 . 2 . . . . 102 GLY HA2 . 18845 1 948 . 1 1 78 78 GLY HA3 H 1 3.470 0.020 . 2 . . . . 102 GLY HA3 . 18845 1 949 . 1 1 78 78 GLY C C 13 173.600 0.200 . 1 . . . . 102 GLY C . 18845 1 950 . 1 1 78 78 GLY CA C 13 45.390 0.200 . 1 . . . . 102 GLY CA . 18845 1 951 . 1 1 78 78 GLY N N 15 100.150 0.200 . 1 . . . . 102 GLY N . 18845 1 952 . 1 1 79 79 ARG H H 1 7.750 0.020 . 1 . . . . 103 ARG HN . 18845 1 953 . 1 1 79 79 ARG HA H 1 4.660 0.020 . 1 . . . . 103 ARG HA . 18845 1 954 . 1 1 79 79 ARG HB2 H 1 1.640 0.020 . 2 . . . . 103 ARG HB2 . 18845 1 955 . 1 1 79 79 ARG HB3 H 1 1.830 0.020 . 2 . . . . 103 ARG HB3 . 18845 1 956 . 1 1 79 79 ARG HG2 H 1 1.680 0.020 . 2 . . . . 103 ARG HG2 . 18845 1 957 . 1 1 79 79 ARG HG3 H 1 1.570 0.020 . 2 . . . . 103 ARG HG3 . 18845 1 958 . 1 1 79 79 ARG HD2 H 1 3.110 0.020 . 2 . . . . 103 ARG HD2 . 18845 1 959 . 1 1 79 79 ARG HD3 H 1 3.150 0.020 . 2 . . . . 103 ARG HD3 . 18845 1 960 . 1 1 79 79 ARG C C 13 173.430 0.200 . 1 . . . . 103 ARG C . 18845 1 961 . 1 1 79 79 ARG CA C 13 53.460 0.200 . 1 . . . . 103 ARG CA . 18845 1 962 . 1 1 79 79 ARG CB C 13 33.560 0.200 . 1 . . . . 103 ARG CB . 18845 1 963 . 1 1 79 79 ARG CG C 13 26.820 0.200 . 1 . . . . 103 ARG CG . 18845 1 964 . 1 1 79 79 ARG CD C 13 42.790 0.200 . 1 . . . . 103 ARG CD . 18845 1 965 . 1 1 79 79 ARG N N 15 121.940 0.200 . 1 . . . . 103 ARG N . 18845 1 966 . 1 1 80 80 LYS H H 1 8.470 0.020 . 1 . . . . 104 LYS HN . 18845 1 967 . 1 1 80 80 LYS HA H 1 4.190 0.020 . 1 . . . . 104 LYS HA . 18845 1 968 . 1 1 80 80 LYS HB2 H 1 1.590 0.020 . 2 . . . . 104 LYS HB2 . 18845 1 969 . 1 1 80 80 LYS HB3 H 1 1.690 0.020 . 2 . . . . 104 LYS HB3 . 18845 1 970 . 1 1 80 80 LYS HG2 H 1 1.340 0.020 . 1 . . . . 104 LYS HG2 . 18845 1 971 . 1 1 80 80 LYS HG3 H 1 1.340 0.020 . 1 . . . . 104 LYS HG3 . 18845 1 972 . 1 1 80 80 LYS HD2 H 1 1.680 0.020 . 1 . . . . 104 LYS HD2 . 18845 1 973 . 1 1 80 80 LYS HD3 H 1 1.680 0.020 . 1 . . . . 104 LYS HD3 . 18845 1 974 . 1 1 80 80 LYS HE2 H 1 2.970 0.020 . 1 . . . . 104 LYS HE2 . 18845 1 975 . 1 1 80 80 LYS HE3 H 1 2.970 0.020 . 1 . . . . 104 LYS HE3 . 18845 1 976 . 1 1 80 80 LYS C C 13 174.240 0.200 . 1 . . . . 104 LYS C . 18845 1 977 . 1 1 80 80 LYS CA C 13 57.370 0.200 . 1 . . . . 104 LYS CA . 18845 1 978 . 1 1 80 80 LYS CB C 13 31.830 0.200 . 1 . . . . 104 LYS CB . 18845 1 979 . 1 1 80 80 LYS CG C 13 24.860 0.200 . 1 . . . . 104 LYS CG . 18845 1 980 . 1 1 80 80 LYS CD C 13 29.360 0.200 . 1 . . . . 104 LYS CD . 18845 1 981 . 1 1 80 80 LYS CE C 13 41.590 0.200 . 1 . . . . 104 LYS CE . 18845 1 982 . 1 1 80 80 LYS N N 15 124.430 0.200 . 1 . . . . 104 LYS N . 18845 1 983 . 1 1 81 81 ALA H H 1 8.840 0.020 . 1 . . . . 105 ALA HN . 18845 1 984 . 1 1 81 81 ALA HA H 1 4.690 0.020 . 1 . . . . 105 ALA HA . 18845 1 985 . 1 1 81 81 ALA HB1 H 1 1.280 0.020 . 1 . . . . 105 ALA MB . 18845 1 986 . 1 1 81 81 ALA HB2 H 1 1.280 0.020 . 1 . . . . 105 ALA MB . 18845 1 987 . 1 1 81 81 ALA HB3 H 1 1.280 0.020 . 1 . . . . 105 ALA MB . 18845 1 988 . 1 1 81 81 ALA C C 13 174.990 0.200 . 1 . . . . 105 ALA C . 18845 1 989 . 1 1 81 81 ALA CA C 13 50.910 0.200 . 1 . . . . 105 ALA CA . 18845 1 990 . 1 1 81 81 ALA CB C 13 20.930 0.200 . 1 . . . . 105 ALA CB . 18845 1 991 . 1 1 81 81 ALA N N 15 134.370 0.200 . 1 . . . . 105 ALA N . 18845 1 992 . 1 1 82 82 ASN H H 1 8.210 0.020 . 1 . . . . 106 ASN HN . 18845 1 993 . 1 1 82 82 ASN HA H 1 5.500 0.020 . 1 . . . . 106 ASN HA . 18845 1 994 . 1 1 82 82 ASN HB2 H 1 2.710 0.020 . 2 . . . . 106 ASN HB2 . 18845 1 995 . 1 1 82 82 ASN HB3 H 1 2.540 0.020 . 2 . . . . 106 ASN HB3 . 18845 1 996 . 1 1 82 82 ASN HD21 H 1 7.630 0.020 . 2 . . . . 106 ASN HD21 . 18845 1 997 . 1 1 82 82 ASN HD22 H 1 6.850 0.020 . 2 . . . . 106 ASN HD22 . 18845 1 998 . 1 1 82 82 ASN C C 13 173.290 0.200 . 1 . . . . 106 ASN C . 18845 1 999 . 1 1 82 82 ASN CA C 13 52.160 0.200 . 1 . . . . 106 ASN CA . 18845 1 1000 . 1 1 82 82 ASN CB C 13 41.170 0.200 . 1 . . . . 106 ASN CB . 18845 1 1001 . 1 1 82 82 ASN N N 15 115.470 0.200 . 1 . . . . 106 ASN N . 18845 1 1002 . 1 1 82 82 ASN ND2 N 15 113.440 0.200 . 1 . . . . 106 ASN ND2 . 18845 1 1003 . 1 1 83 83 VAL H H 1 8.830 0.020 . 1 . . . . 107 VAL HN . 18845 1 1004 . 1 1 83 83 VAL HA H 1 5.360 0.020 . 1 . . . . 107 VAL HA . 18845 1 1005 . 1 1 83 83 VAL HB H 1 2.040 0.020 . 1 . . . . 107 VAL HB . 18845 1 1006 . 1 1 83 83 VAL HG11 H 1 1.090 0.020 . 1 . . . . 107 VAL MG1 . 18845 1 1007 . 1 1 83 83 VAL HG12 H 1 1.090 0.020 . 1 . . . . 107 VAL MG1 . 18845 1 1008 . 1 1 83 83 VAL HG13 H 1 1.090 0.020 . 1 . . . . 107 VAL MG1 . 18845 1 1009 . 1 1 83 83 VAL HG21 H 1 1.040 0.020 . 1 . . . . 107 VAL MG2 . 18845 1 1010 . 1 1 83 83 VAL HG22 H 1 1.040 0.020 . 1 . . . . 107 VAL MG2 . 18845 1 1011 . 1 1 83 83 VAL HG23 H 1 1.040 0.020 . 1 . . . . 107 VAL MG2 . 18845 1 1012 . 1 1 83 83 VAL C C 13 175.820 0.200 . 1 . . . . 107 VAL C . 18845 1 1013 . 1 1 83 83 VAL CA C 13 60.290 0.200 . 1 . . . . 107 VAL CA . 18845 1 1014 . 1 1 83 83 VAL CB C 13 35.330 0.200 . 1 . . . . 107 VAL CB . 18845 1 1015 . 1 1 83 83 VAL CG1 C 13 22.840 0.200 . 1 . . . . 107 VAL CG1 . 18845 1 1016 . 1 1 83 83 VAL CG2 C 13 22.710 0.200 . 1 . . . . 107 VAL CG2 . 18845 1 1017 . 1 1 83 83 VAL N N 15 121.470 0.200 . 1 . . . . 107 VAL N . 18845 1 1018 . 1 1 84 84 ASN H H 1 8.790 0.020 . 1 . . . . 108 ASN HN . 18845 1 1019 . 1 1 84 84 ASN HA H 1 4.930 0.020 . 1 . . . . 108 ASN HA . 18845 1 1020 . 1 1 84 84 ASN HB2 H 1 2.790 0.020 . 2 . . . . 108 ASN HB2 . 18845 1 1021 . 1 1 84 84 ASN HB3 H 1 3.010 0.020 . 2 . . . . 108 ASN HB3 . 18845 1 1022 . 1 1 84 84 ASN HD21 H 1 7.070 0.020 . 2 . . . . 108 ASN HD21 . 18845 1 1023 . 1 1 84 84 ASN HD22 H 1 6.980 0.020 . 2 . . . . 108 ASN HD22 . 18845 1 1024 . 1 1 84 84 ASN C C 13 173.540 0.200 . 1 . . . . 108 ASN C . 18845 1 1025 . 1 1 84 84 ASN CA C 13 52.920 0.200 . 1 . . . . 108 ASN CA . 18845 1 1026 . 1 1 84 84 ASN CB C 13 42.230 0.200 . 1 . . . . 108 ASN CB . 18845 1 1027 . 1 1 84 84 ASN N N 15 119.420 0.200 . 1 . . . . 108 ASN N . 18845 1 1028 . 1 1 84 84 ASN ND2 N 15 113.450 0.200 . 1 . . . . 108 ASN ND2 . 18845 1 1029 . 1 1 85 85 LEU H H 1 9.230 0.020 . 1 . . . . 109 LEU HN . 18845 1 1030 . 1 1 85 85 LEU HA H 1 4.470 0.020 . 1 . . . . 109 LEU HA . 18845 1 1031 . 1 1 85 85 LEU HB2 H 1 1.790 0.020 . 1 . . . . 109 LEU HB2 . 18845 1 1032 . 1 1 85 85 LEU HB3 H 1 1.790 0.020 . 1 . . . . 109 LEU HB3 . 18845 1 1033 . 1 1 85 85 LEU HG H 1 2.030 0.020 . 1 . . . . 109 LEU HG . 18845 1 1034 . 1 1 85 85 LEU HD11 H 1 1.270 0.020 . 1 . . . . 109 LEU MD1 . 18845 1 1035 . 1 1 85 85 LEU HD12 H 1 1.270 0.020 . 1 . . . . 109 LEU MD1 . 18845 1 1036 . 1 1 85 85 LEU HD13 H 1 1.270 0.020 . 1 . . . . 109 LEU MD1 . 18845 1 1037 . 1 1 85 85 LEU HD21 H 1 0.850 0.020 . 1 . . . . 109 LEU MD2 . 18845 1 1038 . 1 1 85 85 LEU HD22 H 1 0.850 0.020 . 1 . . . . 109 LEU MD2 . 18845 1 1039 . 1 1 85 85 LEU HD23 H 1 0.850 0.020 . 1 . . . . 109 LEU MD2 . 18845 1 1040 . 1 1 85 85 LEU C C 13 178.560 0.200 . 1 . . . . 109 LEU C . 18845 1 1041 . 1 1 85 85 LEU CA C 13 56.650 0.200 . 1 . . . . 109 LEU CA . 18845 1 1042 . 1 1 85 85 LEU CB C 13 41.810 0.200 . 1 . . . . 109 LEU CB . 18845 1 1043 . 1 1 85 85 LEU CG C 13 27.210 0.200 . 1 . . . . 109 LEU CG . 18845 1 1044 . 1 1 85 85 LEU CD1 C 13 26.390 0.200 . 1 . . . . 109 LEU CD1 . 18845 1 1045 . 1 1 85 85 LEU CD2 C 13 23.280 0.200 . 1 . . . . 109 LEU CD2 . 18845 1 1046 . 1 1 85 85 LEU N N 15 123.210 0.200 . 1 . . . . 109 LEU N . 18845 1 1047 . 1 1 86 86 ALA H H 1 9.230 0.020 . 1 . . . . 110 ALA HN . 18845 1 1048 . 1 1 86 86 ALA HA H 1 4.140 0.020 . 1 . . . . 110 ALA HA . 18845 1 1049 . 1 1 86 86 ALA HB1 H 1 1.490 0.020 . 1 . . . . 110 ALA MB . 18845 1 1050 . 1 1 86 86 ALA HB2 H 1 1.490 0.020 . 1 . . . . 110 ALA MB . 18845 1 1051 . 1 1 86 86 ALA HB3 H 1 1.490 0.020 . 1 . . . . 110 ALA MB . 18845 1 1052 . 1 1 86 86 ALA C C 13 179.150 0.200 . 1 . . . . 110 ALA C . 18845 1 1053 . 1 1 86 86 ALA CA C 13 54.660 0.200 . 1 . . . . 110 ALA CA . 18845 1 1054 . 1 1 86 86 ALA CB C 13 18.250 0.200 . 1 . . . . 110 ALA CB . 18845 1 1055 . 1 1 86 86 ALA N N 15 127.030 0.200 . 1 . . . . 110 ALA N . 18845 1 1056 . 1 1 87 87 TYR H H 1 8.880 0.020 . 1 . . . . 111 TYR HN . 18845 1 1057 . 1 1 87 87 TYR HA H 1 4.440 0.020 . 1 . . . . 111 TYR HA . 18845 1 1058 . 1 1 87 87 TYR HB2 H 1 3.170 0.020 . 2 . . . . 111 TYR HB2 . 18845 1 1059 . 1 1 87 87 TYR HB3 H 1 2.860 0.020 . 2 . . . . 111 TYR HB3 . 18845 1 1060 . 1 1 87 87 TYR HD1 H 1 7.080 0.020 . 1 . . . . 111 TYR HD1 . 18845 1 1061 . 1 1 87 87 TYR HD2 H 1 7.080 0.020 . 1 . . . . 111 TYR HD2 . 18845 1 1062 . 1 1 87 87 TYR HE1 H 1 6.750 0.020 . 1 . . . . 111 TYR HE1 . 18845 1 1063 . 1 1 87 87 TYR HE2 H 1 6.750 0.020 . 1 . . . . 111 TYR HE2 . 18845 1 1064 . 1 1 87 87 TYR C C 13 175.360 0.200 . 1 . . . . 111 TYR C . 18845 1 1065 . 1 1 87 87 TYR CA C 13 58.940 0.200 . 1 . . . . 111 TYR CA . 18845 1 1066 . 1 1 87 87 TYR CB C 13 37.230 0.200 . 1 . . . . 111 TYR CB . 18845 1 1067 . 1 1 87 87 TYR CD1 C 13 133.700 0.200 . 1 . . . . 111 TYR CD1 . 18845 1 1068 . 1 1 87 87 TYR CD2 C 13 133.700 0.200 . 1 . . . . 111 TYR CD2 . 18845 1 1069 . 1 1 87 87 TYR CE1 C 13 118.380 0.200 . 1 . . . . 111 TYR CE1 . 18845 1 1070 . 1 1 87 87 TYR CE2 C 13 118.380 0.200 . 1 . . . . 111 TYR CE2 . 18845 1 1071 . 1 1 87 87 TYR N N 15 117.290 0.200 . 1 . . . . 111 TYR N . 18845 1 1072 . 1 1 88 88 LEU H H 1 7.160 0.020 . 1 . . . . 112 LEU HN . 18845 1 1073 . 1 1 88 88 LEU HA H 1 3.970 0.020 . 1 . . . . 112 LEU HA . 18845 1 1074 . 1 1 88 88 LEU HB2 H 1 1.440 0.020 . 2 . . . . 112 LEU HB2 . 18845 1 1075 . 1 1 88 88 LEU HB3 H 1 1.540 0.020 . 2 . . . . 112 LEU HB3 . 18845 1 1076 . 1 1 88 88 LEU HG H 1 0.740 0.020 . 1 . . . . 112 LEU HG . 18845 1 1077 . 1 1 88 88 LEU HD11 H 1 0.890 0.020 . 1 . . . . 112 LEU MD1 . 18845 1 1078 . 1 1 88 88 LEU HD12 H 1 0.890 0.020 . 1 . . . . 112 LEU MD1 . 18845 1 1079 . 1 1 88 88 LEU HD13 H 1 0.890 0.020 . 1 . . . . 112 LEU MD1 . 18845 1 1080 . 1 1 88 88 LEU HD21 H 1 0.660 0.020 . 1 . . . . 112 LEU MD2 . 18845 1 1081 . 1 1 88 88 LEU HD22 H 1 0.660 0.020 . 1 . . . . 112 LEU MD2 . 18845 1 1082 . 1 1 88 88 LEU HD23 H 1 0.660 0.020 . 1 . . . . 112 LEU MD2 . 18845 1 1083 . 1 1 88 88 LEU C C 13 177.390 0.200 . 1 . . . . 112 LEU C . 18845 1 1084 . 1 1 88 88 LEU CA C 13 54.990 0.200 . 1 . . . . 112 LEU CA . 18845 1 1085 . 1 1 88 88 LEU CB C 13 42.140 0.200 . 1 . . . . 112 LEU CB . 18845 1 1086 . 1 1 88 88 LEU CG C 13 26.280 0.200 . 1 . . . . 112 LEU CG . 18845 1 1087 . 1 1 88 88 LEU CD1 C 13 25.710 0.200 . 1 . . . . 112 LEU CD1 . 18845 1 1088 . 1 1 88 88 LEU CD2 C 13 22.990 0.200 . 1 . . . . 112 LEU CD2 . 18845 1 1089 . 1 1 88 88 LEU N N 15 121.460 0.200 . 1 . . . . 112 LEU N . 18845 1 1090 . 1 1 89 89 GLY H H 1 7.480 0.020 . 1 . . . . 113 GLY HN . 18845 1 1091 . 1 1 89 89 GLY HA2 H 1 3.650 0.020 . 2 . . . . 113 GLY HA2 . 18845 1 1092 . 1 1 89 89 GLY HA3 H 1 3.870 0.020 . 2 . . . . 113 GLY HA3 . 18845 1 1093 . 1 1 89 89 GLY C C 13 172.330 0.200 . 1 . . . . 113 GLY C . 18845 1 1094 . 1 1 89 89 GLY CA C 13 45.070 0.200 . 1 . . . . 113 GLY CA . 18845 1 1095 . 1 1 89 89 GLY N N 15 107.800 0.200 . 1 . . . . 113 GLY N . 18845 1 1096 . 1 1 90 90 ALA H H 1 7.960 0.020 . 1 . . . . 114 ALA HN . 18845 1 1097 . 1 1 90 90 ALA HA H 1 3.830 0.020 . 1 . . . . 114 ALA HA . 18845 1 1098 . 1 1 90 90 ALA HB1 H 1 1.170 0.020 . 1 . . . . 114 ALA MB . 18845 1 1099 . 1 1 90 90 ALA HB2 H 1 1.170 0.020 . 1 . . . . 114 ALA MB . 18845 1 1100 . 1 1 90 90 ALA HB3 H 1 1.170 0.020 . 1 . . . . 114 ALA MB . 18845 1 1101 . 1 1 90 90 ALA C C 13 176.530 0.200 . 1 . . . . 114 ALA C . 18845 1 1102 . 1 1 90 90 ALA CA C 13 51.500 0.200 . 1 . . . . 114 ALA CA . 18845 1 1103 . 1 1 90 90 ALA CB C 13 19.500 0.200 . 1 . . . . 114 ALA CB . 18845 1 1104 . 1 1 90 90 ALA N N 15 124.240 0.200 . 1 . . . . 114 ALA N . 18845 1 1105 . 1 1 91 91 LYS H H 1 7.680 0.020 . 1 . . . . 115 LYS HN . 18845 1 1106 . 1 1 91 91 LYS HA H 1 4.480 0.020 . 1 . . . . 115 LYS HA . 18845 1 1107 . 1 1 91 91 LYS HB2 H 1 1.580 0.020 . 2 . . . . 115 LYS HB2 . 18845 1 1108 . 1 1 91 91 LYS HB3 H 1 1.730 0.020 . 2 . . . . 115 LYS HB3 . 18845 1 1109 . 1 1 91 91 LYS HG2 H 1 1.360 0.020 . 1 . . . . 115 LYS HG2 . 18845 1 1110 . 1 1 91 91 LYS HG3 H 1 1.360 0.020 . 1 . . . . 115 LYS HG3 . 18845 1 1111 . 1 1 91 91 LYS HD2 H 1 1.640 0.020 . 1 . . . . 115 LYS HD2 . 18845 1 1112 . 1 1 91 91 LYS HD3 H 1 1.640 0.020 . 1 . . . . 115 LYS HD3 . 18845 1 1113 . 1 1 91 91 LYS HE2 H 1 2.960 0.020 . 1 . . . . 115 LYS HE2 . 18845 1 1114 . 1 1 91 91 LYS HE3 H 1 2.960 0.020 . 1 . . . . 115 LYS HE3 . 18845 1 1115 . 1 1 91 91 LYS C C 13 173.970 0.200 . 1 . . . . 115 LYS C . 18845 1 1116 . 1 1 91 91 LYS CA C 13 53.760 0.200 . 1 . . . . 115 LYS CA . 18845 1 1117 . 1 1 91 91 LYS CB C 13 32.620 0.200 . 1 . . . . 115 LYS CB . 18845 1 1118 . 1 1 91 91 LYS CG C 13 24.460 0.200 . 1 . . . . 115 LYS CG . 18845 1 1119 . 1 1 91 91 LYS CD C 13 28.970 0.200 . 1 . . . . 115 LYS CD . 18845 1 1120 . 1 1 91 91 LYS CE C 13 41.960 0.200 . 1 . . . . 115 LYS CE . 18845 1 1121 . 1 1 91 91 LYS N N 15 121.080 0.200 . 1 . . . . 115 LYS N . 18845 1 1122 . 1 1 92 92 PRO HA H 1 4.400 0.020 . 1 . . . . 116 PRO HA . 18845 1 1123 . 1 1 92 92 PRO HB2 H 1 1.880 0.020 . 2 . . . . 116 PRO HB2 . 18845 1 1124 . 1 1 92 92 PRO HB3 H 1 2.220 0.020 . 2 . . . . 116 PRO HB3 . 18845 1 1125 . 1 1 92 92 PRO HG2 H 1 1.850 0.020 . 2 . . . . 116 PRO HG2 . 18845 1 1126 . 1 1 92 92 PRO HG3 H 1 1.960 0.020 . 2 . . . . 116 PRO HG3 . 18845 1 1127 . 1 1 92 92 PRO HD2 H 1 3.550 0.020 . 2 . . . . 116 PRO HD2 . 18845 1 1128 . 1 1 92 92 PRO HD3 H 1 3.560 0.020 . 2 . . . . 116 PRO HD3 . 18845 1 1129 . 1 1 92 92 PRO C C 13 176.570 0.200 . 1 . . . . 116 PRO C . 18845 1 1130 . 1 1 92 92 PRO CA C 13 62.930 0.200 . 1 . . . . 116 PRO CA . 18845 1 1131 . 1 1 92 92 PRO CB C 13 32.200 0.200 . 1 . . . . 116 PRO CB . 18845 1 1132 . 1 1 92 92 PRO CG C 13 27.410 0.200 . 1 . . . . 116 PRO CG . 18845 1 1133 . 1 1 92 92 PRO CD C 13 50.550 0.200 . 1 . . . . 116 PRO CD . 18845 1 1134 . 1 1 93 93 ARG H H 1 8.510 0.020 . 1 . . . . 117 ARG HN . 18845 1 1135 . 1 1 93 93 ARG HA H 1 4.370 0.020 . 1 . . . . 117 ARG HA . 18845 1 1136 . 1 1 93 93 ARG HB2 H 1 1.810 0.020 . 2 . . . . 117 ARG HB2 . 18845 1 1137 . 1 1 93 93 ARG HB3 H 1 1.880 0.020 . 2 . . . . 117 ARG HB3 . 18845 1 1138 . 1 1 93 93 ARG HG2 H 1 1.670 0.020 . 1 . . . . 117 ARG HG2 . 18845 1 1139 . 1 1 93 93 ARG HG3 H 1 1.670 0.020 . 1 . . . . 117 ARG HG3 . 18845 1 1140 . 1 1 93 93 ARG HD2 H 1 3.200 0.020 . 1 . . . . 117 ARG HD2 . 18845 1 1141 . 1 1 93 93 ARG HD3 H 1 3.200 0.020 . 1 . . . . 117 ARG HD3 . 18845 1 1142 . 1 1 93 93 ARG C C 13 176.290 0.200 . 1 . . . . 117 ARG C . 18845 1 1143 . 1 1 93 93 ARG CA C 13 56.160 0.200 . 1 . . . . 117 ARG CA . 18845 1 1144 . 1 1 93 93 ARG CB C 13 30.700 0.200 . 1 . . . . 117 ARG CB . 18845 1 1145 . 1 1 93 93 ARG CG C 13 27.140 0.200 . 1 . . . . 117 ARG CG . 18845 1 1146 . 1 1 93 93 ARG CD C 13 43.250 0.200 . 1 . . . . 117 ARG CD . 18845 1 1147 . 1 1 93 93 ARG N N 15 121.950 0.200 . 1 . . . . 117 ARG N . 18845 1 1148 . 1 1 94 94 THR H H 1 8.170 0.020 . 1 . . . . 118 THR HN . 18845 1 1149 . 1 1 94 94 THR HA H 1 4.370 0.020 . 1 . . . . 118 THR HA . 18845 1 1150 . 1 1 94 94 THR HB H 1 4.230 0.020 . 1 . . . . 118 THR HB . 18845 1 1151 . 1 1 94 94 THR HG21 H 1 1.210 0.020 . 1 . . . . 118 THR MG . 18845 1 1152 . 1 1 94 94 THR HG22 H 1 1.210 0.020 . 1 . . . . 118 THR MG . 18845 1 1153 . 1 1 94 94 THR HG23 H 1 1.210 0.020 . 1 . . . . 118 THR MG . 18845 1 1154 . 1 1 94 94 THR C C 13 173.820 0.200 . 1 . . . . 118 THR C . 18845 1 1155 . 1 1 94 94 THR CA C 13 61.500 0.200 . 1 . . . . 118 THR CA . 18845 1 1156 . 1 1 94 94 THR CB C 13 69.730 0.200 . 1 . . . . 118 THR CB . 18845 1 1157 . 1 1 94 94 THR CG2 C 13 21.660 0.200 . 1 . . . . 118 THR CG2 . 18845 1 1158 . 1 1 94 94 THR N N 15 115.010 0.200 . 1 . . . . 118 THR N . 18845 1 1159 . 1 1 95 95 ASN H H 1 8.530 0.020 . 1 . . . . 119 ASN HN . 18845 1 1160 . 1 1 95 95 ASN HA H 1 4.780 0.020 . 1 . . . . 119 ASN HA . 18845 1 1161 . 1 1 95 95 ASN HB2 H 1 2.850 0.020 . 2 . . . . 119 ASN HB2 . 18845 1 1162 . 1 1 95 95 ASN HB3 H 1 2.770 0.020 . 2 . . . . 119 ASN HB3 . 18845 1 1163 . 1 1 95 95 ASN HD21 H 1 7.600 0.020 . 2 . . . . 119 ASN HD21 . 18845 1 1164 . 1 1 95 95 ASN HD22 H 1 6.900 0.020 . 2 . . . . 119 ASN HD22 . 18845 1 1165 . 1 1 95 95 ASN C C 13 174.640 0.200 . 1 . . . . 119 ASN C . 18845 1 1166 . 1 1 95 95 ASN CA C 13 53.240 0.200 . 1 . . . . 119 ASN CA . 18845 1 1167 . 1 1 95 95 ASN CB C 13 38.710 0.200 . 1 . . . . 119 ASN CB . 18845 1 1168 . 1 1 95 95 ASN N N 15 121.280 0.200 . 1 . . . . 119 ASN N . 18845 1 1169 . 1 1 95 95 ASN ND2 N 15 112.940 0.200 . 1 . . . . 119 ASN ND2 . 18845 1 1170 . 1 1 96 96 VAL H H 1 8.080 0.020 . 1 . . . . 120 VAL HN . 18845 1 1171 . 1 1 96 96 VAL HA H 1 4.150 0.020 . 1 . . . . 120 VAL HA . 18845 1 1172 . 1 1 96 96 VAL HB H 1 2.110 0.020 . 1 . . . . 120 VAL HB . 18845 1 1173 . 1 1 96 96 VAL HG11 H 1 0.940 0.020 . 1 . . . . 120 VAL MG1 . 18845 1 1174 . 1 1 96 96 VAL HG12 H 1 0.940 0.020 . 1 . . . . 120 VAL MG1 . 18845 1 1175 . 1 1 96 96 VAL HG13 H 1 0.940 0.020 . 1 . . . . 120 VAL MG1 . 18845 1 1176 . 1 1 96 96 VAL HG21 H 1 0.930 0.020 . 1 . . . . 120 VAL MG2 . 18845 1 1177 . 1 1 96 96 VAL HG22 H 1 0.930 0.020 . 1 . . . . 120 VAL MG2 . 18845 1 1178 . 1 1 96 96 VAL HG23 H 1 0.930 0.020 . 1 . . . . 120 VAL MG2 . 18845 1 1179 . 1 1 96 96 VAL C C 13 175.040 0.200 . 1 . . . . 120 VAL C . 18845 1 1180 . 1 1 96 96 VAL CA C 13 62.330 0.200 . 1 . . . . 120 VAL CA . 18845 1 1181 . 1 1 96 96 VAL CB C 13 32.720 0.200 . 1 . . . . 120 VAL CB . 18845 1 1182 . 1 1 96 96 VAL CG1 C 13 21.280 0.200 . 1 . . . . 120 VAL CG1 . 18845 1 1183 . 1 1 96 96 VAL CG2 C 13 20.410 0.200 . 1 . . . . 120 VAL CG2 . 18845 1 1184 . 1 1 96 96 VAL N N 15 120.450 0.200 . 1 . . . . 120 VAL N . 18845 1 1185 . 1 1 97 97 GLN H H 1 8.010 0.020 . 1 . . . . 121 GLN HN . 18845 1 1186 . 1 1 97 97 GLN HA H 1 4.170 0.020 . 1 . . . . 121 GLN HA . 18845 1 1187 . 1 1 97 97 GLN HB2 H 1 1.940 0.020 . 2 . . . . 121 GLN HB2 . 18845 1 1188 . 1 1 97 97 GLN HB3 H 1 2.130 0.020 . 2 . . . . 121 GLN HB3 . 18845 1 1189 . 1 1 97 97 GLN HG2 H 1 2.290 0.020 . 1 . . . . 121 GLN HG2 . 18845 1 1190 . 1 1 97 97 GLN HG3 H 1 2.290 0.020 . 1 . . . . 121 GLN HG3 . 18845 1 1191 . 1 1 97 97 GLN HE21 H 1 7.520 0.020 . 2 . . . . 121 GLN HE21 . 18845 1 1192 . 1 1 97 97 GLN HE22 H 1 6.820 0.020 . 2 . . . . 121 GLN HE22 . 18845 1 1193 . 1 1 97 97 GLN C C 13 180.280 0.200 . 1 . . . . 121 GLN C . 18845 1 1194 . 1 1 97 97 GLN CA C 13 57.360 0.200 . 1 . . . . 121 GLN CA . 18845 1 1195 . 1 1 97 97 GLN CB C 13 30.400 0.200 . 1 . . . . 121 GLN CB . 18845 1 1196 . 1 1 97 97 GLN CG C 13 34.220 0.200 . 1 . . . . 121 GLN CG . 18845 1 1197 . 1 1 97 97 GLN N N 15 129.000 0.200 . 1 . . . . 121 GLN N . 18845 1 1198 . 1 1 97 97 GLN NE2 N 15 112.230 0.200 . 1 . . . . 121 GLN NE2 . 18845 1 stop_ save_