data_15194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15194 _Entry.Title ; 1H, 13C and 15N resonance assignment of truncated SUMO from Trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-21 _Entry.Accession_date 2007-03-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Qiang Shang . . . 15194 2 Xiaoming Tu . . . 15194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 15194 '15N chemical shifts' 99 15194 '1H chemical shifts' 562 15194 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 3 . . 2009-08-31 2007-03-21 update BMRB 'add PubMed ID' 15194 2 . . 2008-10-16 2007-03-21 update BMRB 'complete entry citation' 15194 1 . . 2007-08-23 2007-03-21 original author 'original release' 15194 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15194 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636839 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignment of truncated SUMO from Trypanosoma brucei' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 103 _Citation.Page_last 104 _Citation.Year 2007 _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 Qiang Shang . . . 15194 1 2 Lin Lin . . . 15194 1 3 Jiahai Zhang . . . 15194 1 4 Xiaoming Tu . . . 15194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15194 _Assembly.ID 1 _Assembly.Name 'small ubiquitin-like modifier' _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 12300 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'small ubiquitin-like modifier' 1 $small_ubiquitin-like_modifier A . yes native no no . . . 15194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_small_ubiquitin-like_modifier _Entity.Sf_category entity _Entity.Sf_framecode small_ubiquitin-like_modifier _Entity.Entry_ID 15194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name small_ubiquitin-like_modifier _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 ; MSNNGGEPSNNGGEGAEGTC KEETALVAVKVVNADGAEMF FRIKSRTALKKLIDTYCKKQ GISRNSVRFLFDGTPIDETK TPEELGMEDDDVIDAMVEQT GGLGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K8H . "Solution Structure Of Sumo From Trypanosoma Brucei" . . . . . 100.00 110 99.09 99.09 3.37e-73 . . . . 15194 1 2 no EMBL CBH11308 . "small ubiquitin protein, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 91.82 114 100.00 100.00 7.54e-66 . . . . 15194 1 3 no GB AAX79561 . "small ubiquitin protein, putative [Trypanosoma brucei]" . . . . . 91.82 114 100.00 100.00 8.88e-66 . . . . 15194 1 4 no GB AAZ11434 . "small ubiquitin protein, putative [Trypanosoma brucei brucei TREU927]" . . . . . 91.82 114 100.00 100.00 8.88e-66 . . . . 15194 1 5 no REF XP_011773595 . "small ubiquitin protein, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 91.82 114 100.00 100.00 7.54e-66 . . . . 15194 1 6 no REF XP_844993 . "small ubiquitin protein [Trypanosoma brucei brucei TREU927]" . . . . . 91.82 114 100.00 100.00 8.88e-66 . . . . 15194 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 0 MET . 15194 1 2 1 SER . 15194 1 3 2 ASN . 15194 1 4 3 ASN . 15194 1 5 4 GLY . 15194 1 6 5 GLY . 15194 1 7 6 GLU . 15194 1 8 7 PRO . 15194 1 9 8 SER . 15194 1 10 9 ASN . 15194 1 11 10 ASN . 15194 1 12 11 GLY . 15194 1 13 12 GLY . 15194 1 14 13 GLU . 15194 1 15 14 GLY . 15194 1 16 15 ALA . 15194 1 17 16 GLU . 15194 1 18 17 GLY . 15194 1 19 18 THR . 15194 1 20 19 CYS . 15194 1 21 20 LYS . 15194 1 22 21 GLU . 15194 1 23 22 GLU . 15194 1 24 23 THR . 15194 1 25 24 ALA . 15194 1 26 25 LEU . 15194 1 27 26 VAL . 15194 1 28 27 ALA . 15194 1 29 28 VAL . 15194 1 30 29 LYS . 15194 1 31 30 VAL . 15194 1 32 31 VAL . 15194 1 33 32 ASN . 15194 1 34 33 ALA . 15194 1 35 34 ASP . 15194 1 36 35 GLY . 15194 1 37 36 ALA . 15194 1 38 37 GLU . 15194 1 39 38 MET . 15194 1 40 39 PHE . 15194 1 41 40 PHE . 15194 1 42 41 ARG . 15194 1 43 42 ILE . 15194 1 44 43 LYS . 15194 1 45 44 SER . 15194 1 46 45 ARG . 15194 1 47 46 THR . 15194 1 48 47 ALA . 15194 1 49 48 LEU . 15194 1 50 49 LYS . 15194 1 51 50 LYS . 15194 1 52 51 LEU . 15194 1 53 52 ILE . 15194 1 54 53 ASP . 15194 1 55 54 THR . 15194 1 56 55 TYR . 15194 1 57 56 CYS . 15194 1 58 57 LYS . 15194 1 59 58 LYS . 15194 1 60 59 GLN . 15194 1 61 60 GLY . 15194 1 62 61 ILE . 15194 1 63 62 SER . 15194 1 64 63 ARG . 15194 1 65 64 ASN . 15194 1 66 65 SER . 15194 1 67 66 VAL . 15194 1 68 67 ARG . 15194 1 69 68 PHE . 15194 1 70 69 LEU . 15194 1 71 70 PHE . 15194 1 72 71 ASP . 15194 1 73 72 GLY . 15194 1 74 73 THR . 15194 1 75 74 PRO . 15194 1 76 75 ILE . 15194 1 77 76 ASP . 15194 1 78 77 GLU . 15194 1 79 78 THR . 15194 1 80 79 LYS . 15194 1 81 80 THR . 15194 1 82 81 PRO . 15194 1 83 82 GLU . 15194 1 84 83 GLU . 15194 1 85 84 LEU . 15194 1 86 85 GLY . 15194 1 87 86 MET . 15194 1 88 87 GLU . 15194 1 89 88 ASP . 15194 1 90 89 ASP . 15194 1 91 90 ASP . 15194 1 92 91 VAL . 15194 1 93 92 ILE . 15194 1 94 93 ASP . 15194 1 95 94 ALA . 15194 1 96 95 MET . 15194 1 97 96 VAL . 15194 1 98 97 GLU . 15194 1 99 98 GLN . 15194 1 100 99 THR . 15194 1 101 100 GLY . 15194 1 102 101 GLY . 15194 1 103 102 LEU . 15194 1 104 103 GLY . 15194 1 105 104 HIS . 15194 1 106 105 HIS . 15194 1 107 106 HIS . 15194 1 108 107 HIS . 15194 1 109 108 HIS . 15194 1 110 109 HIS . 15194 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15194 1 . SER 2 2 15194 1 . ASN 3 3 15194 1 . ASN 4 4 15194 1 . GLY 5 5 15194 1 . GLY 6 6 15194 1 . GLU 7 7 15194 1 . PRO 8 8 15194 1 . SER 9 9 15194 1 . ASN 10 10 15194 1 . ASN 11 11 15194 1 . GLY 12 12 15194 1 . GLY 13 13 15194 1 . GLU 14 14 15194 1 . GLY 15 15 15194 1 . ALA 16 16 15194 1 . GLU 17 17 15194 1 . GLY 18 18 15194 1 . THR 19 19 15194 1 . CYS 20 20 15194 1 . LYS 21 21 15194 1 . GLU 22 22 15194 1 . GLU 23 23 15194 1 . THR 24 24 15194 1 . ALA 25 25 15194 1 . LEU 26 26 15194 1 . VAL 27 27 15194 1 . ALA 28 28 15194 1 . VAL 29 29 15194 1 . LYS 30 30 15194 1 . VAL 31 31 15194 1 . VAL 32 32 15194 1 . ASN 33 33 15194 1 . ALA 34 34 15194 1 . ASP 35 35 15194 1 . GLY 36 36 15194 1 . ALA 37 37 15194 1 . GLU 38 38 15194 1 . MET 39 39 15194 1 . PHE 40 40 15194 1 . PHE 41 41 15194 1 . ARG 42 42 15194 1 . ILE 43 43 15194 1 . LYS 44 44 15194 1 . SER 45 45 15194 1 . ARG 46 46 15194 1 . THR 47 47 15194 1 . ALA 48 48 15194 1 . LEU 49 49 15194 1 . LYS 50 50 15194 1 . LYS 51 51 15194 1 . LEU 52 52 15194 1 . ILE 53 53 15194 1 . ASP 54 54 15194 1 . THR 55 55 15194 1 . TYR 56 56 15194 1 . CYS 57 57 15194 1 . LYS 58 58 15194 1 . LYS 59 59 15194 1 . GLN 60 60 15194 1 . GLY 61 61 15194 1 . ILE 62 62 15194 1 . SER 63 63 15194 1 . ARG 64 64 15194 1 . ASN 65 65 15194 1 . SER 66 66 15194 1 . VAL 67 67 15194 1 . ARG 68 68 15194 1 . PHE 69 69 15194 1 . LEU 70 70 15194 1 . PHE 71 71 15194 1 . ASP 72 72 15194 1 . GLY 73 73 15194 1 . THR 74 74 15194 1 . PRO 75 75 15194 1 . ILE 76 76 15194 1 . ASP 77 77 15194 1 . GLU 78 78 15194 1 . THR 79 79 15194 1 . LYS 80 80 15194 1 . THR 81 81 15194 1 . PRO 82 82 15194 1 . GLU 83 83 15194 1 . GLU 84 84 15194 1 . LEU 85 85 15194 1 . GLY 86 86 15194 1 . MET 87 87 15194 1 . GLU 88 88 15194 1 . ASP 89 89 15194 1 . ASP 90 90 15194 1 . ASP 91 91 15194 1 . VAL 92 92 15194 1 . ILE 93 93 15194 1 . ASP 94 94 15194 1 . ALA 95 95 15194 1 . MET 96 96 15194 1 . VAL 97 97 15194 1 . GLU 98 98 15194 1 . GLN 99 99 15194 1 . THR 100 100 15194 1 . GLY 101 101 15194 1 . GLY 102 102 15194 1 . LEU 103 103 15194 1 . GLY 104 104 15194 1 . HIS 105 105 15194 1 . HIS 106 106 15194 1 . HIS 107 107 15194 1 . HIS 108 108 15194 1 . HIS 109 109 15194 1 . HIS 110 110 15194 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 15194 _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 $small_ubiquitin-like_modifier . 5691 organism . 'T. brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . . . . . . . . . 15194 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 15194 _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 $small_ubiquitin-like_modifier . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b(+) . . . . . . 15194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15194 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'small ubiquitin-like modifier' '[U-100% 13C; U-100% 15N]' . . 1 $small_ubiquitin-like_modifier . . 0.8 . . mM . . . . 15194 1 2 EDTA 'natural abundance' . . . . . . 1.5 . . mM . . . . 15194 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15194 1 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 15194 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15194 1 6 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 15194 1 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 15194 _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' 100 . mM 15194 1 pH 6.25 . pH 15194 1 pressure 1 . atm 15194 1 temperature 298 . K 15194 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15194 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15194 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15194 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15194 _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 DMX . 500 . . . 15194 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 15194 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15194 1 2 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15194 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15194 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15194 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 15194 _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 water protons . . . . ppm 4.808 internal indirect 0.251449530 . . . . . . . . . 15194 1 H 1 water protons . . . . ppm 4.808 internal direct 1 . . . . . . . . . 15194 1 N 15 water nitrogen . . . . ppm 4.808 internal indirect 0.101329118 . . . . . . . . . 15194 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 15194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 15194 1 2 '3D HBHA(CO)NH' . . . 15194 1 3 '3D C(CO)NH' . . . 15194 1 4 '3D H(CCO)NH' . . . 15194 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.724 0.01 . 1 . . . . 0 M HA . 15194 1 2 . 1 1 1 1 MET HB2 H 1 2.313 0.01 . 1 . . . . 0 M HB2 . 15194 1 3 . 1 1 1 1 MET HB3 H 1 2.086 0.01 . 1 . . . . 0 M HB3 . 15194 1 4 . 1 1 1 1 MET HE1 H 1 1.841 0.01 . 1 . . . . 0 M HE . 15194 1 5 . 1 1 1 1 MET HE2 H 1 1.841 0.01 . 1 . . . . 0 M HE . 15194 1 6 . 1 1 1 1 MET HE3 H 1 1.841 0.01 . 1 . . . . 0 M HE . 15194 1 7 . 1 1 1 1 MET C C 13 176.511 0.1 . 1 . . . . 0 M CO . 15194 1 8 . 1 1 1 1 MET CB C 13 34.478 0.1 . 1 . . . . 0 M CB . 15194 1 9 . 1 1 1 1 MET CG C 13 32.878 0.1 . 1 . . . . 0 M CG . 15194 1 10 . 1 1 2 2 SER H H 1 8.615 0.01 . 1 . . . . 1 S NH . 15194 1 11 . 1 1 2 2 SER HA H 1 4.511 0.01 . 1 . . . . 1 S HA . 15194 1 12 . 1 1 2 2 SER HB2 H 1 3.482 0.01 . 1 . . . . 1 S HB2 . 15194 1 13 . 1 1 2 2 SER HB3 H 1 3.482 0.01 . 1 . . . . 1 S HB3 . 15194 1 14 . 1 1 2 2 SER C C 13 174.596 0.1 . 1 . . . . 1 S CO . 15194 1 15 . 1 1 2 2 SER CA C 13 58.757 0.1 . 1 . . . . 1 S CA . 15194 1 16 . 1 1 2 2 SER CB C 13 64.071 0.1 . 1 . . . . 1 S CB . 15194 1 17 . 1 1 2 2 SER N N 15 117.343 0.1 . 1 . . . . 1 S N . 15194 1 18 . 1 1 3 3 ASN H H 1 8.529 0.01 . 1 . . . . 2 N NH . 15194 1 19 . 1 1 3 3 ASN HA H 1 5.189 0.01 . 1 . . . . 2 N HA . 15194 1 20 . 1 1 3 3 ASN HB2 H 1 2.837 0.01 . 1 . . . . 2 N HB2 . 15194 1 21 . 1 1 3 3 ASN HB3 H 1 2.837 0.01 . 1 . . . . 2 N HB3 . 15194 1 22 . 1 1 3 3 ASN C C 13 175.271 0.1 . 1 . . . . 2 N CO . 15194 1 23 . 1 1 3 3 ASN CA C 13 55.698 0.1 . 1 . . . . 2 N CA . 15194 1 24 . 1 1 3 3 ASN CB C 13 41.397 0.1 . 1 . . . . 2 N CB . 15194 1 25 . 1 1 3 3 ASN N N 15 120.047 0.1 . 1 . . . . 2 N N . 15194 1 26 . 1 1 4 4 ASN H H 1 9.551 0.01 . 1 . . . . 3 N NH . 15194 1 27 . 1 1 4 4 ASN HA H 1 3.953 0.01 . 1 . . . . 3 N HA . 15194 1 28 . 1 1 4 4 ASN HB2 H 1 2.596 0.01 . 1 . . . . 3 N HB2 . 15194 1 29 . 1 1 4 4 ASN HB3 H 1 2.596 0.01 . 1 . . . . 3 N HB3 . 15194 1 30 . 1 1 4 4 ASN C C 13 176.469 0.1 . 1 . . . . 3 N CO . 15194 1 31 . 1 1 4 4 ASN CA C 13 54.508 0.1 . 1 . . . . 3 N CA . 15194 1 32 . 1 1 4 4 ASN CB C 13 38.794 0.1 . 1 . . . . 3 N CB . 15194 1 33 . 1 1 4 4 ASN N N 15 131.263 0.1 . 1 . . . . 3 N N . 15194 1 34 . 1 1 5 5 GLY H H 1 8.771 0.01 . 1 . . . . 4 G NH . 15194 1 35 . 1 1 5 5 GLY HA2 H 1 3.878 0.01 . 1 . . . . 4 G HA1 . 15194 1 36 . 1 1 5 5 GLY C C 13 173.990 0.1 . 1 . . . . 4 G CO . 15194 1 37 . 1 1 5 5 GLY CA C 13 45.425 0.1 . 1 . . . . 4 G CA . 15194 1 38 . 1 1 5 5 GLY N N 15 102.788 0.1 . 1 . . . . 4 G N . 15194 1 39 . 1 1 6 6 GLY H H 1 8.402 0.01 . 1 . . . . 5 G NH . 15194 1 40 . 1 1 6 6 GLY HA2 H 1 3.883 0.01 . 1 . . . . 5 G HA . 15194 1 41 . 1 1 6 6 GLY HA3 H 1 3.883 0.01 . 1 . . . . 5 G HA . 15194 1 42 . 1 1 6 6 GLY C C 13 173.934 0.1 . 1 . . . . 5 G CO . 15194 1 43 . 1 1 6 6 GLY CA C 13 44.972 0.1 . 1 . . . . 5 G CA . 15194 1 44 . 1 1 6 6 GLY N N 15 121.865 0.1 . 1 . . . . 5 G N . 15194 1 45 . 1 1 7 7 GLU H H 1 8.321 0.01 . 1 . . . . 6 E NH . 15194 1 46 . 1 1 7 7 GLU C C 13 174.854 0.1 . 1 . . . . 6 E CO . 15194 1 47 . 1 1 7 7 GLU CA C 13 54.624 0.1 . 1 . . . . 6 E CA . 15194 1 48 . 1 1 7 7 GLU CB C 13 29.602 0.1 . 1 . . . . 6 E CB . 15194 1 49 . 1 1 7 7 GLU N N 15 121.814 0.1 . 1 . . . . 6 E N . 15194 1 50 . 1 1 8 8 PRO HA H 1 4.369 0.01 . 1 . . . . 7 P HA . 15194 1 51 . 1 1 8 8 PRO HB2 H 1 2.225 0.01 . 1 . . . . 7 P HB2 . 15194 1 52 . 1 1 8 8 PRO HB3 H 1 1.867 0.01 . 1 . . . . 7 P HB3 . 15194 1 53 . 1 1 8 8 PRO HG2 H 1 1.941 0.01 . 1 . . . . 7 P HG2 . 15194 1 54 . 1 1 8 8 PRO HG3 H 1 1.941 0.01 . 1 . . . . 7 P HG3 . 15194 1 55 . 1 1 8 8 PRO HD2 H 1 3.745 0.01 . 1 . . . . 7 P HD2 . 15194 1 56 . 1 1 8 8 PRO HD3 H 1 3.644 0.01 . 1 . . . . 7 P HD3 . 15194 1 57 . 1 1 8 8 PRO C C 13 177.122 0.1 . 1 . . . . 7 P CO . 15194 1 58 . 1 1 8 8 PRO CA C 13 63.754 0.1 . 1 . . . . 7 P CA . 15194 1 59 . 1 1 8 8 PRO CB C 13 32.040 0.1 . 1 . . . . 7 P CB . 15194 1 60 . 1 1 8 8 PRO CG C 13 27.276 0.1 . 1 . . . . 7 P CG . 15194 1 61 . 1 1 8 8 PRO CD C 13 50.756 0.1 . 1 . . . . 7 P CD . 15194 1 62 . 1 1 9 9 SER H H 1 8.484 0.01 . 1 . . . . 8 S NH . 15194 1 63 . 1 1 9 9 SER HA H 1 4.343 0.01 . 1 . . . . 8 S HA . 15194 1 64 . 1 1 9 9 SER HB2 H 1 3.792 0.01 . 1 . . . . 8 S HB2 . 15194 1 65 . 1 1 9 9 SER HB3 H 1 3.792 0.01 . 1 . . . . 8 S HB3 . 15194 1 66 . 1 1 9 9 SER C C 13 174.528 0.1 . 1 . . . . 8 S CO . 15194 1 67 . 1 1 9 9 SER CA C 13 58.447 0.1 . 1 . . . . 8 S CA . 15194 1 68 . 1 1 9 9 SER CB C 13 63.968 0.1 . 1 . . . . 8 S CB . 15194 1 69 . 1 1 9 9 SER N N 15 115.838 0.1 . 1 . . . . 8 S N . 15194 1 70 . 1 1 10 10 ASN H H 1 8.515 0.01 . 1 . . . . 9 N NH . 15194 1 71 . 1 1 10 10 ASN HA H 1 4.692 0.01 . 1 . . . . 9 N HA . 15194 1 72 . 1 1 10 10 ASN HB2 H 1 2.989 0.01 . 1 . . . . 9 N HB2 . 15194 1 73 . 1 1 10 10 ASN HB3 H 1 2.747 0.01 . 1 . . . . 9 N HB3 . 15194 1 74 . 1 1 10 10 ASN C C 13 175.159 0.1 . 1 . . . . 9 N CO . 15194 1 75 . 1 1 10 10 ASN CA C 13 53.358 0.1 . 1 . . . . 9 N CA . 15194 1 76 . 1 1 10 10 ASN CB C 13 39.020 0.1 . 1 . . . . 9 N CB . 15194 1 77 . 1 1 10 10 ASN N N 15 120.708 0.1 . 1 . . . . 9 N N . 15194 1 78 . 1 1 11 11 ASN H H 1 8.514 0.01 . 1 . . . . 10 N NH . 15194 1 79 . 1 1 11 11 ASN HA H 1 4.668 0.01 . 1 . . . . 10 N HA . 15194 1 80 . 1 1 11 11 ASN HB2 H 1 2.982 0.01 . 1 . . . . 10 N HB2 . 15194 1 81 . 1 1 11 11 ASN HB3 H 1 2.748 0.01 . 1 . . . . 10 N HB3 . 15194 1 82 . 1 1 11 11 ASN HD21 H 1 7.661 0.01 . 1 . . . . 10 N HD21 . 15194 1 83 . 1 1 11 11 ASN HD22 H 1 6.963 0.01 . 1 . . . . 10 N HD22 . 15194 1 84 . 1 1 11 11 ASN C C 13 175.860 0.1 . 1 . . . . 10 N CO . 15194 1 85 . 1 1 11 11 ASN CA C 13 53.452 0.1 . 1 . . . . 10 N CA . 15194 1 86 . 1 1 11 11 ASN CB C 13 38.851 0.1 . 1 . . . . 10 N CB . 15194 1 87 . 1 1 11 11 ASN N N 15 119.328 0.1 . 1 . . . . 10 N N . 15194 1 88 . 1 1 11 11 ASN ND2 N 15 112.450 0.1 . 1 . . . . 10 N ND . 15194 1 89 . 1 1 12 12 GLY H H 1 8.512 0.01 . 1 . . . . 11 G NH . 15194 1 90 . 1 1 12 12 GLY HA2 H 1 3.907 0.01 . 1 . . . . 11 G HA2 . 15194 1 91 . 1 1 12 12 GLY HA3 H 1 3.701 0.01 . 1 . . . . 11 G HA3 . 15194 1 92 . 1 1 12 12 GLY C C 13 174.740 0.1 . 1 . . . . 11 G CO . 15194 1 93 . 1 1 12 12 GLY CA C 13 45.519 0.1 . 1 . . . . 11 G CA . 15194 1 94 . 1 1 12 12 GLY N N 15 109.431 0.1 . 1 . . . . 11 G N . 15194 1 95 . 1 1 13 13 GLY H H 1 8.387 0.01 . 1 . . . . 12 G NH . 15194 1 96 . 1 1 13 13 GLY HA2 H 1 3.904 0.01 . 1 . . . . 12 G HA2 . 15194 1 97 . 1 1 13 13 GLY HA3 H 1 3.904 0.01 . 1 . . . . 12 G HA3 . 15194 1 98 . 1 1 13 13 GLY C C 13 174.356 0.1 . 1 . . . . 12 G CO . 15194 1 99 . 1 1 13 13 GLY CA C 13 45.181 0.1 . 1 . . . . 12 G CA . 15194 1 100 . 1 1 13 13 GLY N N 15 108.836 0.1 . 1 . . . . 12 G N . 15194 1 101 . 1 1 14 14 GLU H H 1 8.465 0.01 . 1 . . . . 13 E NH . 15194 1 102 . 1 1 14 14 GLU HA H 1 4.220 0.01 . 1 . . . . 13 E HA . 15194 1 103 . 1 1 14 14 GLU HB2 H 1 2.000 0.01 . 1 . . . . 13 E HB2 . 15194 1 104 . 1 1 14 14 GLU HB3 H 1 1.880 0.01 . 1 . . . . 13 E HB3 . 15194 1 105 . 1 1 14 14 GLU HG2 H 1 2.193 0.01 . 1 . . . . 13 E HG2 . 15194 1 106 . 1 1 14 14 GLU HG3 H 1 2.193 0.01 . 1 . . . . 13 E HG3 . 15194 1 107 . 1 1 14 14 GLU C C 13 177.272 0.1 . 1 . . . . 13 E CO . 15194 1 108 . 1 1 14 14 GLU CA C 13 56.943 0.1 . 1 . . . . 13 E CA . 15194 1 109 . 1 1 14 14 GLU CB C 13 30.092 0.1 . 1 . . . . 13 E CB . 15194 1 110 . 1 1 14 14 GLU CG C 13 35.841 0.1 . 1 . . . . 13 E CG . 15194 1 111 . 1 1 14 14 GLU N N 15 120.832 0.1 . 1 . . . . 13 E N . 15194 1 112 . 1 1 15 15 GLY H H 1 8.574 0.01 . 1 . . . . 14 G NH . 15194 1 113 . 1 1 15 15 GLY HA2 H 1 3.883 0.01 . 1 . . . . 14 G HA2 . 15194 1 114 . 1 1 15 15 GLY HA3 H 1 3.883 0.01 . 1 . . . . 14 G HA3 . 15194 1 115 . 1 1 15 15 GLY C C 13 174.167 0.1 . 1 . . . . 14 G CO . 15194 1 116 . 1 1 15 15 GLY CA C 13 45.390 0.1 . 1 . . . . 14 G CA . 15194 1 117 . 1 1 15 15 GLY N N 15 110.265 0.1 . 1 . . . . 14 G N . 15194 1 118 . 1 1 16 16 ALA H H 1 8.199 0.01 . 1 . . . . 15 A NH . 15194 1 119 . 1 1 16 16 ALA HA H 1 4.255 0.01 . 1 . . . . 15 A HA . 15194 1 120 . 1 1 16 16 ALA HB1 H 1 1.302 0.01 . 1 . . . . 15 A HB . 15194 1 121 . 1 1 16 16 ALA HB2 H 1 1.302 0.01 . 1 . . . . 15 A HB . 15194 1 122 . 1 1 16 16 ALA HB3 H 1 1.302 0.01 . 1 . . . . 15 A HB . 15194 1 123 . 1 1 16 16 ALA C C 13 178.014 0.1 . 1 . . . . 15 A CO . 15194 1 124 . 1 1 16 16 ALA CA C 13 52.655 0.1 . 1 . . . . 15 A CA . 15194 1 125 . 1 1 16 16 ALA CB C 13 19.309 0.1 . 1 . . . . 15 A CB . 15194 1 126 . 1 1 16 16 ALA N N 15 123.828 0.1 . 1 . . . . 15 A N . 15194 1 127 . 1 1 17 17 GLU H H 1 8.579 0.01 . 1 . . . . 16 E NH . 15194 1 128 . 1 1 17 17 GLU HA H 1 4.191 0.01 . 1 . . . . 16 E HA . 15194 1 129 . 1 1 17 17 GLU HB2 H 1 1.942 0.01 . 1 . . . . 16 E HB2 . 15194 1 130 . 1 1 17 17 GLU HB3 H 1 1.942 0.01 . 1 . . . . 16 E HB3 . 15194 1 131 . 1 1 17 17 GLU HG2 H 1 2.215 0.01 . 1 . . . . 16 E HG . 15194 1 132 . 1 1 17 17 GLU HG3 H 1 2.215 0.01 . 1 . . . . 16 E HG . 15194 1 133 . 1 1 17 17 GLU C C 13 177.260 0.1 . 1 . . . . 16 E CO . 15194 1 134 . 1 1 17 17 GLU CA C 13 57.175 0.1 . 1 . . . . 16 E CA . 15194 1 135 . 1 1 17 17 GLU CB C 13 30.023 0.1 . 1 . . . . 16 E CB . 15194 1 136 . 1 1 17 17 GLU CG C 13 35.846 0.1 . 1 . . . . 16 E CG . 15194 1 137 . 1 1 17 17 GLU N N 15 120.137 0.1 . 1 . . . . 16 E N . 15194 1 138 . 1 1 18 18 GLY H H 1 8.459 0.01 . 1 . . . . 17 G NH . 15194 1 139 . 1 1 18 18 GLY HA2 H 1 3.929 0.01 . 1 . . . . 17 G HA2 . 15194 1 140 . 1 1 18 18 GLY HA3 H 1 3.739 0.01 . 1 . . . . 17 G HA3 . 15194 1 141 . 1 1 18 18 GLY C C 13 174.534 0.1 . 1 . . . . 17 G CO . 15194 1 142 . 1 1 18 18 GLY CA C 13 45.547 0.1 . 1 . . . . 17 G CA . 15194 1 143 . 1 1 18 18 GLY N N 15 109.832 0.1 . 1 . . . . 17 G N . 15194 1 144 . 1 1 19 19 THR H H 1 8.076 0.01 . 1 . . . . 18 T NH . 15194 1 145 . 1 1 19 19 THR HA H 1 4.439 0.01 . 1 . . . . 18 T HA . 15194 1 146 . 1 1 19 19 THR HB H 1 4.302 0.01 . 1 . . . . 18 T HB . 15194 1 147 . 1 1 19 19 THR HG1 H 1 4.153 0.01 . 1 . . . . 18 T HG1 . 15194 1 148 . 1 1 19 19 THR HG21 H 1 1.116 0.01 . 1 . . . . 18 T HG2 . 15194 1 149 . 1 1 19 19 THR HG22 H 1 1.116 0.01 . 1 . . . . 18 T HG2 . 15194 1 150 . 1 1 19 19 THR HG23 H 1 1.116 0.01 . 1 . . . . 18 T HG2 . 15194 1 151 . 1 1 19 19 THR C C 13 174.667 0.1 . 1 . . . . 18 T CO . 15194 1 152 . 1 1 19 19 THR CA C 13 62.193 0.1 . 1 . . . . 18 T CA . 15194 1 153 . 1 1 19 19 THR CB C 13 70.219 0.1 . 1 . . . . 18 T CB . 15194 1 154 . 1 1 19 19 THR CG2 C 13 21.131 0.1 . 1 . . . . 18 T CG . 15194 1 155 . 1 1 19 19 THR N N 15 113.359 0.1 . 1 . . . . 18 T N . 15194 1 156 . 1 1 20 20 CYS H H 1 8.504 0.01 . 1 . . . . 19 C NH . 15194 1 157 . 1 1 20 20 CYS HA H 1 4.644 0.01 . 1 . . . . 19 C HA . 15194 1 158 . 1 1 20 20 CYS HB2 H 1 2.645 0.01 . 1 . . . . 19 C HB2 . 15194 1 159 . 1 1 20 20 CYS HB3 H 1 2.645 0.01 . 1 . . . . 19 C HB3 . 15194 1 160 . 1 1 20 20 CYS C C 13 174.713 0.1 . 1 . . . . 19 C CO . 15194 1 161 . 1 1 20 20 CYS CA C 13 58.670 0.1 . 1 . . . . 19 C CA . 15194 1 162 . 1 1 20 20 CYS CB C 13 27.841 0.1 . 1 . . . . 19 C CB . 15194 1 163 . 1 1 20 20 CYS N N 15 121.806 0.1 . 1 . . . . 19 C N . 15194 1 164 . 1 1 21 21 LYS H H 1 8.549 0.01 . 1 . . . . 20 K NH . 15194 1 165 . 1 1 21 21 LYS HA H 1 4.215 0.01 . 1 . . . . 20 K HA . 15194 1 166 . 1 1 21 21 LYS HB2 H 1 1.721 0.01 . 1 . . . . 20 K HB2 . 15194 1 167 . 1 1 21 21 LYS HB3 H 1 1.721 0.01 . 1 . . . . 20 K HB3 . 15194 1 168 . 1 1 21 21 LYS HG2 H 1 1.583 0.01 . 1 . . . . 20 K HG2 . 15194 1 169 . 1 1 21 21 LYS HG3 H 1 1.583 0.01 . 1 . . . . 20 K HG3 . 15194 1 170 . 1 1 21 21 LYS HE2 H 1 2.896 0.01 . 1 . . . . 20 K HE2 . 15194 1 171 . 1 1 21 21 LYS HE3 H 1 2.896 0.01 . 1 . . . . 20 K HE3 . 15194 1 172 . 1 1 21 21 LYS C C 13 176.576 0.1 . 1 . . . . 20 K CO . 15194 1 173 . 1 1 21 21 LYS CA C 13 56.848 0.1 . 1 . . . . 20 K CA . 15194 1 174 . 1 1 21 21 LYS CB C 13 36.958 0.1 . 1 . . . . 20 K CB . 15194 1 175 . 1 1 21 21 LYS CG C 13 24.199 0.1 . 1 . . . . 20 K CG . 15194 1 176 . 1 1 21 21 LYS CD C 13 28.396 0.1 . 1 . . . . 20 K CD . 15194 1 177 . 1 1 21 21 LYS CE C 13 41.951 0.1 . 1 . . . . 20 K CE . 15194 1 178 . 1 1 21 21 LYS N N 15 124.529 0.1 . 1 . . . . 20 K N . 15194 1 179 . 1 1 22 22 GLU H H 1 8.497 0.01 . 1 . . . . 21 E NH . 15194 1 180 . 1 1 22 22 GLU HA H 1 4.413 0.01 . 1 . . . . 21 E HA . 15194 1 181 . 1 1 22 22 GLU HB2 H 1 1.906 0.01 . 1 . . . . 21 E HB2 . 15194 1 182 . 1 1 22 22 GLU HB3 H 1 1.906 0.01 . 1 . . . . 21 E HB3 . 15194 1 183 . 1 1 22 22 GLU HG2 H 1 2.180 0.01 . 1 . . . . 21 E HG2 . 15194 1 184 . 1 1 22 22 GLU HG3 H 1 2.180 0.01 . 1 . . . . 21 E HG3 . 15194 1 185 . 1 1 22 22 GLU C C 13 176.610 0.1 . 1 . . . . 21 E CO . 15194 1 186 . 1 1 22 22 GLU CA C 13 56.804 0.1 . 1 . . . . 21 E CA . 15194 1 187 . 1 1 22 22 GLU CB C 13 30.258 0.1 . 1 . . . . 21 E CB . 15194 1 188 . 1 1 22 22 GLU CG C 13 35.913 0.1 . 1 . . . . 21 E CG . 15194 1 189 . 1 1 22 22 GLU N N 15 122.066 0.1 . 1 . . . . 21 E N . 15194 1 190 . 1 1 23 23 GLU H H 1 8.515 0.01 . 1 . . . . 22 E NH . 15194 1 191 . 1 1 23 23 GLU HA H 1 4.250 0.01 . 1 . . . . 22 E HA . 15194 1 192 . 1 1 23 23 GLU HB2 H 1 1.974 0.01 . 1 . . . . 22 E HB2 . 15194 1 193 . 1 1 23 23 GLU HB3 H 1 1.900 0.01 . 1 . . . . 22 E HB3 . 15194 1 194 . 1 1 23 23 GLU HG3 H 1 2.184 0.01 . 1 . . . . 22 E HG3 . 15194 1 195 . 1 1 23 23 GLU C C 13 176.578 0.1 . 1 . . . . 22 E CO . 15194 1 196 . 1 1 23 23 GLU CA C 13 56.781 0.1 . 1 . . . . 22 E CA . 15194 1 197 . 1 1 23 23 GLU CB C 13 30.266 0.1 . 1 . . . . 22 E CB . 15194 1 198 . 1 1 23 23 GLU CG C 13 35.908 0.1 . 1 . . . . 22 E CG . 15194 1 199 . 1 1 23 23 GLU N N 15 122.297 0.1 . 1 . . . . 22 E N . 15194 1 200 . 1 1 24 24 THR H H 1 8.157 0.01 . 1 . . . . 23 T NH . 15194 1 201 . 1 1 24 24 THR HA H 1 4.358 0.01 . 1 . . . . 23 T HA . 15194 1 202 . 1 1 24 24 THR HB H 1 3.885 0.01 . 1 . . . . 23 T HB . 15194 1 203 . 1 1 24 24 THR HG21 H 1 1.302 0.01 . 1 . . . . 23 T HG2 . 15194 1 204 . 1 1 24 24 THR HG22 H 1 1.302 0.01 . 1 . . . . 23 T HG2 . 15194 1 205 . 1 1 24 24 THR HG23 H 1 1.302 0.01 . 1 . . . . 23 T HG2 . 15194 1 206 . 1 1 24 24 THR C C 13 173.204 0.1 . 1 . . . . 23 T CO . 15194 1 207 . 1 1 24 24 THR CA C 13 62.193 0.1 . 1 . . . . 23 T CA . 15194 1 208 . 1 1 24 24 THR CB C 13 70.361 0.1 . 1 . . . . 23 T CB . 15194 1 209 . 1 1 24 24 THR CG2 C 13 21.456 0.1 . 1 . . . . 23 T CG . 15194 1 210 . 1 1 24 24 THR N N 15 115.107 0.1 . 1 . . . . 23 T N . 15194 1 211 . 1 1 25 25 ALA H H 1 8.705 0.01 . 1 . . . . 24 A NH . 15194 1 212 . 1 1 25 25 ALA HA H 1 3.751 0.01 . 1 . . . . 24 A HA . 15194 1 213 . 1 1 25 25 ALA HB1 H 1 1.414 0.01 . 1 . . . . 24 A HB . 15194 1 214 . 1 1 25 25 ALA HB2 H 1 1.414 0.01 . 1 . . . . 24 A HB . 15194 1 215 . 1 1 25 25 ALA HB3 H 1 1.414 0.01 . 1 . . . . 24 A HB . 15194 1 216 . 1 1 25 25 ALA C C 13 179.369 0.1 . 1 . . . . 24 A CO . 15194 1 217 . 1 1 25 25 ALA CA C 13 53.141 0.1 . 1 . . . . 24 A CA . 15194 1 218 . 1 1 25 25 ALA CB C 13 18.434 0.1 . 1 . . . . 24 A CB . 15194 1 219 . 1 1 25 25 ALA N N 15 129.036 0.1 . 1 . . . . 24 A N . 15194 1 220 . 1 1 26 26 LEU H H 1 8.631 0.01 . 1 . . . . 25 L NH . 15194 1 221 . 1 1 26 26 LEU HA H 1 4.482 0.01 . 1 . . . . 25 L HA . 15194 1 222 . 1 1 26 26 LEU HB2 H 1 1.541 0.01 . 1 . . . . 25 L HB2 . 15194 1 223 . 1 1 26 26 LEU HB3 H 1 1.074 0.01 . 1 . . . . 25 L HB3 . 15194 1 224 . 1 1 26 26 LEU HG H 1 1.491 0.01 . 1 . . . . 25 L HG . 15194 1 225 . 1 1 26 26 LEU HD11 H 1 0.719 0.01 . 1 . . . . 25 L HD1 . 15194 1 226 . 1 1 26 26 LEU HD12 H 1 0.719 0.01 . 1 . . . . 25 L HD1 . 15194 1 227 . 1 1 26 26 LEU HD13 H 1 0.719 0.01 . 1 . . . . 25 L HD1 . 15194 1 228 . 1 1 26 26 LEU HD21 H 1 0.603 0.01 . 1 . . . . 25 L HD2 . 15194 1 229 . 1 1 26 26 LEU HD22 H 1 0.603 0.01 . 1 . . . . 25 L HD2 . 15194 1 230 . 1 1 26 26 LEU HD23 H 1 0.603 0.01 . 1 . . . . 25 L HD2 . 15194 1 231 . 1 1 26 26 LEU C C 13 176.546 0.1 . 1 . . . . 25 L CO . 15194 1 232 . 1 1 26 26 LEU CA C 13 54.035 0.1 . 1 . . . . 25 L CA . 15194 1 233 . 1 1 26 26 LEU CB C 13 44.926 0.1 . 1 . . . . 25 L CB . 15194 1 234 . 1 1 26 26 LEU CD1 C 13 24.854 0.1 . 1 . . . . 25 L CD1 . 15194 1 235 . 1 1 26 26 LEU CD2 C 13 23.828 0.1 . 1 . . . . 25 L CD2 . 15194 1 236 . 1 1 26 26 LEU N N 15 124.056 0.1 . 1 . . . . 25 L N . 15194 1 237 . 1 1 27 27 VAL H H 1 9.383 0.01 . 1 . . . . 26 V NH . 15194 1 238 . 1 1 27 27 VAL HA H 1 4.424 0.01 . 1 . . . . 26 V HA . 15194 1 239 . 1 1 27 27 VAL HB H 1 1.675 0.01 . 1 . . . . 26 V HB . 15194 1 240 . 1 1 27 27 VAL HG11 H 1 0.572 0.01 . 1 . . . . 26 V HG1 . 15194 1 241 . 1 1 27 27 VAL HG12 H 1 0.572 0.01 . 1 . . . . 26 V HG1 . 15194 1 242 . 1 1 27 27 VAL HG13 H 1 0.572 0.01 . 1 . . . . 26 V HG1 . 15194 1 243 . 1 1 27 27 VAL HG21 H 1 0.572 0.01 . 1 . . . . 26 V HG2 . 15194 1 244 . 1 1 27 27 VAL HG22 H 1 0.572 0.01 . 1 . . . . 26 V HG2 . 15194 1 245 . 1 1 27 27 VAL HG23 H 1 0.572 0.01 . 1 . . . . 26 V HG2 . 15194 1 246 . 1 1 27 27 VAL C C 13 173.454 0.1 . 1 . . . . 26 V CO . 15194 1 247 . 1 1 27 27 VAL CA C 13 60.474 0.1 . 1 . . . . 26 V CA . 15194 1 248 . 1 1 27 27 VAL CB C 13 34.537 0.1 . 1 . . . . 26 V CB . 15194 1 249 . 1 1 27 27 VAL CG1 C 13 20.159 0.1 . 1 . . . . 26 V CG1 . 15194 1 250 . 1 1 27 27 VAL CG2 C 13 20.159 0.1 . 1 . . . . 26 V CG2 . 15194 1 251 . 1 1 27 27 VAL N N 15 121.865 0.1 . 1 . . . . 26 V N . 15194 1 252 . 1 1 28 28 ALA H H 1 8.900 0.01 . 1 . . . . 27 A NH . 15194 1 253 . 1 1 28 28 ALA HA H 1 5.111 0.01 . 1 . . . . 27 A HA . 15194 1 254 . 1 1 28 28 ALA HB1 H 1 1.334 0.01 . 1 . . . . 27 A HB . 15194 1 255 . 1 1 28 28 ALA HB2 H 1 1.334 0.01 . 1 . . . . 27 A HB . 15194 1 256 . 1 1 28 28 ALA HB3 H 1 1.334 0.01 . 1 . . . . 27 A HB . 15194 1 257 . 1 1 28 28 ALA C C 13 176.574 0.1 . 1 . . . . 27 A CO . 15194 1 258 . 1 1 28 28 ALA CA C 13 50.808 0.1 . 1 . . . . 27 A CA . 15194 1 259 . 1 1 28 28 ALA CB C 13 19.256 0.1 . 1 . . . . 27 A CB . 15194 1 260 . 1 1 28 28 ALA N N 15 130.892 0.1 . 1 . . . . 27 A N . 15194 1 261 . 1 1 29 29 VAL H H 1 8.779 0.01 . 1 . . . . 28 V NH . 15194 1 262 . 1 1 29 29 VAL HA H 1 4.982 0.01 . 1 . . . . 28 V HA . 15194 1 263 . 1 1 29 29 VAL HB H 1 1.827 0.01 . 1 . . . . 28 V HB . 15194 1 264 . 1 1 29 29 VAL HG11 H 1 0.548 0.01 . 1 . . . . 28 V HG1 . 15194 1 265 . 1 1 29 29 VAL HG12 H 1 0.548 0.01 . 1 . . . . 28 V HG1 . 15194 1 266 . 1 1 29 29 VAL HG13 H 1 0.548 0.01 . 1 . . . . 28 V HG1 . 15194 1 267 . 1 1 29 29 VAL HG21 H 1 0.548 0.01 . 1 . . . . 28 V HG2 . 15194 1 268 . 1 1 29 29 VAL HG22 H 1 0.548 0.01 . 1 . . . . 28 V HG2 . 15194 1 269 . 1 1 29 29 VAL HG23 H 1 0.548 0.01 . 1 . . . . 28 V HG2 . 15194 1 270 . 1 1 29 29 VAL C C 13 174.041 0.1 . 1 . . . . 28 V CO . 15194 1 271 . 1 1 29 29 VAL CA C 13 59.406 0.1 . 1 . . . . 28 V CA . 15194 1 272 . 1 1 29 29 VAL CB C 13 35.833 0.1 . 1 . . . . 28 V CB . 15194 1 273 . 1 1 29 29 VAL CG1 C 13 21.311 0.1 . 1 . . . . 28 V CG1 . 15194 1 274 . 1 1 29 29 VAL CG2 C 13 21.311 0.1 . 1 . . . . 28 V CG2 . 15194 1 275 . 1 1 29 29 VAL N N 15 117.605 0.1 . 1 . . . . 28 V N . 15194 1 276 . 1 1 30 30 LYS H H 1 8.410 0.01 . 1 . . . . 29 K NH . 15194 1 277 . 1 1 30 30 LYS HA H 1 5.182 0.01 . 1 . . . . 29 K HA . 15194 1 278 . 1 1 30 30 LYS HB3 H 1 1.337 0.01 . 1 . . . . 29 K HB3 . 15194 1 279 . 1 1 30 30 LYS HG2 H 1 1.091 0.01 . 1 . . . . 29 K HG2 . 15194 1 280 . 1 1 30 30 LYS HG3 H 1 1.021 0.01 . 1 . . . . 29 K HG3 . 15194 1 281 . 1 1 30 30 LYS HD2 H 1 1.397 0.01 . 1 . . . . 29 K HD2 . 15194 1 282 . 1 1 30 30 LYS HD3 H 1 1.397 0.01 . 1 . . . . 29 K HD3 . 15194 1 283 . 1 1 30 30 LYS C C 13 174.806 0.1 . 1 . . . . 29 K CO . 15194 1 284 . 1 1 30 30 LYS CA C 13 54.030 0.1 . 1 . . . . 29 K CA . 15194 1 285 . 1 1 30 30 LYS CB C 13 35.698 0.1 . 1 . . . . 29 K CB . 15194 1 286 . 1 1 30 30 LYS CG C 13 24.228 0.1 . 1 . . . . 29 K CG . 15194 1 287 . 1 1 30 30 LYS CD C 13 29.328 0.1 . 1 . . . . 29 K CD . 15194 1 288 . 1 1 30 30 LYS CE C 13 42.028 0.1 . 1 . . . . 29 K CE . 15194 1 289 . 1 1 30 30 LYS N N 15 120.207 0.1 . 1 . . . . 29 K N . 15194 1 290 . 1 1 31 31 VAL H H 1 9.089 0.01 . 1 . . . . 30 V NH . 15194 1 291 . 1 1 31 31 VAL HA H 1 5.042 0.01 . 1 . . . . 30 V HA . 15194 1 292 . 1 1 31 31 VAL HB H 1 1.824 0.01 . 1 . . . . 30 V HB . 15194 1 293 . 1 1 31 31 VAL HG11 H 1 0.583 0.01 . 1 . . . . 30 V HG1 . 15194 1 294 . 1 1 31 31 VAL HG12 H 1 0.583 0.01 . 1 . . . . 30 V HG1 . 15194 1 295 . 1 1 31 31 VAL HG13 H 1 0.583 0.01 . 1 . . . . 30 V HG1 . 15194 1 296 . 1 1 31 31 VAL HG21 H 1 0.583 0.01 . 1 . . . . 30 V HG2 . 15194 1 297 . 1 1 31 31 VAL HG22 H 1 0.583 0.01 . 1 . . . . 30 V HG2 . 15194 1 298 . 1 1 31 31 VAL HG23 H 1 0.583 0.01 . 1 . . . . 30 V HG2 . 15194 1 299 . 1 1 31 31 VAL C C 13 176.246 0.1 . 1 . . . . 30 V CO . 15194 1 300 . 1 1 31 31 VAL CA C 13 60.775 0.1 . 1 . . . . 30 V CA . 15194 1 301 . 1 1 31 31 VAL CB C 13 32.989 0.1 . 1 . . . . 30 V CB . 15194 1 302 . 1 1 31 31 VAL CG1 C 13 21.278 0.1 . 1 . . . . 30 V CG1 . 15194 1 303 . 1 1 31 31 VAL CG2 C 13 21.278 0.1 . 1 . . . . 30 V CG2 . 15194 1 304 . 1 1 31 31 VAL N N 15 122.845 0.1 . 1 . . . . 30 V N . 15194 1 305 . 1 1 32 32 VAL H H 1 9.026 0.1 . 1 . . . . 31 V NH . 15194 1 306 . 1 1 32 32 VAL HA H 1 4.557 0.01 . 1 . . . . 31 V HA . 15194 1 307 . 1 1 32 32 VAL HB H 1 2.039 0.01 . 1 . . . . 31 V HB . 15194 1 308 . 1 1 32 32 VAL HG11 H 1 0.866 0.01 . 1 . . . . 31 V HG2 . 15194 1 309 . 1 1 32 32 VAL HG12 H 1 0.866 0.01 . 1 . . . . 31 V HG2 . 15194 1 310 . 1 1 32 32 VAL HG13 H 1 0.866 0.01 . 1 . . . . 31 V HG2 . 15194 1 311 . 1 1 32 32 VAL HG21 H 1 0.866 0.01 . 1 . . . . 31 V HG3 . 15194 1 312 . 1 1 32 32 VAL HG22 H 1 0.866 0.01 . 1 . . . . 31 V HG3 . 15194 1 313 . 1 1 32 32 VAL HG23 H 1 0.866 0.01 . 1 . . . . 31 V HG3 . 15194 1 314 . 1 1 32 32 VAL C C 13 175.669 0.1 . 1 . . . . 31 V CO . 15194 1 315 . 1 1 32 32 VAL CA C 13 60.441 0.1 . 1 . . . . 31 V CA . 15194 1 316 . 1 1 32 32 VAL CB C 13 34.124 0.1 . 1 . . . . 31 V CB . 15194 1 317 . 1 1 32 32 VAL CG1 C 13 21.312 0.1 . 1 . . . . 31 V CG1 . 15194 1 318 . 1 1 32 32 VAL CG2 C 13 21.312 0.1 . 1 . . . . 31 V CG2 . 15194 1 319 . 1 1 32 32 VAL N N 15 128.147 0.1 . 1 . . . . 31 V N . 15194 1 320 . 1 1 33 33 ASN H H 1 8.305 0.01 . 1 . . . . 32 N NH . 15194 1 321 . 1 1 33 33 ASN HA H 1 5.423 0.01 . 1 . . . . 32 N HA . 15194 1 322 . 1 1 33 33 ASN HB2 H 1 3.413 0.01 . 1 . . . . 32 N HB2 . 15194 1 323 . 1 1 33 33 ASN HB3 H 1 2.976 0.01 . 1 . . . . 32 N HB3 . 15194 1 324 . 1 1 33 33 ASN C C 13 174.011 0.1 . 1 . . . . 32 N CO . 15194 1 325 . 1 1 33 33 ASN CA C 13 51.152 0.1 . 1 . . . . 32 N CA . 15194 1 326 . 1 1 33 33 ASN CB C 13 39.656 0.1 . 1 . . . . 32 N CB . 15194 1 327 . 1 1 33 33 ASN N N 15 125.360 0.1 . 1 . . . . 32 N N . 15194 1 328 . 1 1 34 34 ALA H H 1 8.591 0.01 . 1 . . . . 33 A NH . 15194 1 329 . 1 1 34 34 ALA HA H 1 4.103 0.01 . 1 . . . . 33 A HA . 15194 1 330 . 1 1 34 34 ALA HB1 H 1 1.445 0.01 . 1 . . . . 33 A HB . 15194 1 331 . 1 1 34 34 ALA HB2 H 1 1.445 0.01 . 1 . . . . 33 A HB . 15194 1 332 . 1 1 34 34 ALA HB3 H 1 1.445 0.01 . 1 . . . . 33 A HB . 15194 1 333 . 1 1 34 34 ALA C C 13 178.359 0.1 . 1 . . . . 33 A CO . 15194 1 334 . 1 1 34 34 ALA CA C 13 54.864 0.1 . 1 . . . . 33 A CA . 15194 1 335 . 1 1 34 34 ALA CB C 13 18.942 0.1 . 1 . . . . 33 A CB . 15194 1 336 . 1 1 34 34 ALA N N 15 122.186 0.1 . 1 . . . . 33 A N . 15194 1 337 . 1 1 35 35 ASP H H 1 7.747 0.01 . 1 . . . . 34 D NH . 15194 1 338 . 1 1 35 35 ASP HA H 1 4.844 0.01 . 1 . . . . 34 D HA . 15194 1 339 . 1 1 35 35 ASP HB2 H 1 2.770 0.01 . 1 . . . . 34 D HB2 . 15194 1 340 . 1 1 35 35 ASP HB3 H 1 2.603 0.01 . 1 . . . . 34 D HB3 . 15194 1 341 . 1 1 35 35 ASP C C 13 176.733 0.1 . 1 . . . . 34 D CO . 15194 1 342 . 1 1 35 35 ASP CA C 13 53.980 0.1 . 1 . . . . 34 D CA . 15194 1 343 . 1 1 35 35 ASP CB C 13 41.264 0.1 . 1 . . . . 34 D CB . 15194 1 344 . 1 1 35 35 ASP N N 15 115.177 0.1 . 1 . . . . 34 D N . 15194 1 345 . 1 1 36 36 GLY H H 1 8.232 0.01 . 1 . . . . 35 G NH . 15194 1 346 . 1 1 36 36 GLY HA2 H 1 3.518 0.01 . 1 . . . . 35 G HA2 . 15194 1 347 . 1 1 36 36 GLY HA3 H 1 3.518 0.01 . 1 . . . . 35 G HA3 . 15194 1 348 . 1 1 36 36 GLY C C 13 174.077 0.1 . 1 . . . . 35 G CO . 15194 1 349 . 1 1 36 36 GLY CA C 13 45.197 0.1 . 1 . . . . 35 G CA . 15194 1 350 . 1 1 36 36 GLY N N 15 108.319 0.1 . 1 . . . . 35 G N . 15194 1 351 . 1 1 37 37 ALA H H 1 7.979 0.01 . 1 . . . . 36 A NH . 15194 1 352 . 1 1 37 37 ALA HA H 1 4.324 0.01 . 1 . . . . 36 A HA . 15194 1 353 . 1 1 37 37 ALA HB1 H 1 1.357 0.01 . 1 . . . . 36 A HB . 15194 1 354 . 1 1 37 37 ALA HB2 H 1 1.357 0.01 . 1 . . . . 36 A HB . 15194 1 355 . 1 1 37 37 ALA HB3 H 1 1.357 0.01 . 1 . . . . 36 A HB . 15194 1 356 . 1 1 37 37 ALA C C 13 177.351 0.1 . 1 . . . . 36 A CO . 15194 1 357 . 1 1 37 37 ALA CA C 13 52.497 0.1 . 1 . . . . 36 A CA . 15194 1 358 . 1 1 37 37 ALA CB C 13 19.159 0.1 . 1 . . . . 36 A CB . 15194 1 359 . 1 1 37 37 ALA N N 15 124.816 0.1 . 1 . . . . 36 A N . 15194 1 360 . 1 1 38 38 GLU H H 1 8.674 0.01 . 1 . . . . 37 E NH . 15194 1 361 . 1 1 38 38 GLU HA H 1 5.100 0.01 . 1 . . . . 37 E HA . 15194 1 362 . 1 1 38 38 GLU HB2 H 1 1.814 0.01 . 1 . . . . 37 E HB . 15194 1 363 . 1 1 38 38 GLU HB3 H 1 1.814 0.01 . 1 . . . . 37 E HB . 15194 1 364 . 1 1 38 38 GLU HG2 H 1 2.271 0.01 . 1 . . . . 37 E HG2 . 15194 1 365 . 1 1 38 38 GLU HG3 H 1 1.984 0.01 . 1 . . . . 37 E HG3 . 15194 1 366 . 1 1 38 38 GLU C C 13 175.999 0.1 . 1 . . . . 37 E CO . 15194 1 367 . 1 1 38 38 GLU CA C 13 54.855 0.1 . 1 . . . . 37 E CA . 15194 1 368 . 1 1 38 38 GLU CB C 13 33.378 0.1 . 1 . . . . 37 E CB . 15194 1 369 . 1 1 38 38 GLU CG C 13 35.841 0.1 . 1 . . . . 37 E CG . 15194 1 370 . 1 1 38 38 GLU N N 15 121.181 0.1 . 1 . . . . 37 E N . 15194 1 371 . 1 1 39 39 MET H H 1 8.870 0.01 . 1 . . . . 38 M NH . 15194 1 372 . 1 1 39 39 MET HA H 1 4.562 0.01 . 1 . . . . 38 M HA . 15194 1 373 . 1 1 39 39 MET HB2 H 1 2.010 0.01 . 1 . . . . 38 M HB2 . 15194 1 374 . 1 1 39 39 MET HB3 H 1 2.010 0.01 . 1 . . . . 38 M HB3 . 15194 1 375 . 1 1 39 39 MET HG2 H 1 2.519 0.01 . 1 . . . . 38 M HG2 . 15194 1 376 . 1 1 39 39 MET HG3 H 1 2.519 0.01 . 1 . . . . 38 M HG3 . 15194 1 377 . 1 1 39 39 MET HE1 H 1 2.183 0.01 . 1 . . . . 38 M HE . 15194 1 378 . 1 1 39 39 MET HE2 H 1 2.183 0.01 . 1 . . . . 38 M HE . 15194 1 379 . 1 1 39 39 MET HE3 H 1 2.183 0.01 . 1 . . . . 38 M HE . 15194 1 380 . 1 1 39 39 MET C C 13 173.634 0.1 . 1 . . . . 38 M CO . 15194 1 381 . 1 1 39 39 MET CA C 13 55.331 0.1 . 1 . . . . 38 M CA . 15194 1 382 . 1 1 39 39 MET CB C 13 36.969 0.1 . 1 . . . . 38 M CB . 15194 1 383 . 1 1 39 39 MET CG C 13 32.135 0.1 . 1 . . . . 38 M CG . 15194 1 384 . 1 1 39 39 MET N N 15 122.848 0.1 . 1 . . . . 38 M N . 15194 1 385 . 1 1 40 40 PHE H H 1 8.632 0.01 . 1 . . . . 39 F NH . 15194 1 386 . 1 1 40 40 PHE HA H 1 4.905 0.01 . 1 . . . . 39 F HA . 15194 1 387 . 1 1 40 40 PHE HB2 H 1 2.939 0.01 . 1 . . . . 39 F HB2 . 15194 1 388 . 1 1 40 40 PHE HB3 H 1 2.797 0.01 . 1 . . . . 39 F HB3 . 15194 1 389 . 1 1 40 40 PHE C C 13 175.095 0.1 . 1 . . . . 39 F CO . 15194 1 390 . 1 1 40 40 PHE CA C 13 58.004 0.1 . 1 . . . . 39 F CA . 15194 1 391 . 1 1 40 40 PHE CB C 13 40.968 0.1 . 1 . . . . 39 F CB . 15194 1 392 . 1 1 40 40 PHE N N 15 125.302 0.1 . 1 . . . . 39 F N . 15194 1 393 . 1 1 41 41 PHE H H 1 8.977 0.01 . 1 . . . . 40 F NH . 15194 1 394 . 1 1 41 41 PHE HA H 1 4.415 0.01 . 1 . . . . 40 F HA . 15194 1 395 . 1 1 41 41 PHE HB2 H 1 2.815 0.01 . 1 . . . . 40 F HB2 . 15194 1 396 . 1 1 41 41 PHE HB3 H 1 2.815 0.01 . 1 . . . . 40 F HB3 . 15194 1 397 . 1 1 41 41 PHE C C 13 174.801 0.1 . 1 . . . . 40 F CO . 15194 1 398 . 1 1 41 41 PHE CA C 13 57.234 0.1 . 1 . . . . 40 F CA . 15194 1 399 . 1 1 41 41 PHE CB C 13 44.814 0.1 . 1 . . . . 40 F CB . 15194 1 400 . 1 1 41 41 PHE N N 15 121.279 0.1 . 1 . . . . 40 F N . 15194 1 401 . 1 1 42 42 ARG H H 1 8.604 0.01 . 1 . . . . 41 R NH . 15194 1 402 . 1 1 42 42 ARG HA H 1 5.138 0.01 . 1 . . . . 41 R HA . 15194 1 403 . 1 1 42 42 ARG HB2 H 1 1.827 0.01 . 1 . . . . 41 R HB2 . 15194 1 404 . 1 1 42 42 ARG HB3 H 1 1.604 0.01 . 1 . . . . 41 R HB3 . 15194 1 405 . 1 1 42 42 ARG HG2 H 1 1.567 0.01 . 1 . . . . 41 R HG2 . 15194 1 406 . 1 1 42 42 ARG HG3 H 1 1.567 0.01 . 1 . . . . 41 R HG3 . 15194 1 407 . 1 1 42 42 ARG HD2 H 1 3.108 0.01 . 1 . . . . 41 R HD2 . 15194 1 408 . 1 1 42 42 ARG HD3 H 1 3.108 0.01 . 1 . . . . 41 R HD3 . 15194 1 409 . 1 1 42 42 ARG C C 13 175.875 0.1 . 1 . . . . 41 R CO . 15194 1 410 . 1 1 42 42 ARG CA C 13 55.859 0.1 . 1 . . . . 41 R CA . 15194 1 411 . 1 1 42 42 ARG CB C 13 31.419 0.1 . 1 . . . . 41 R CB . 15194 1 412 . 1 1 42 42 ARG CD C 13 43.391 0.1 . 1 . . . . 41 R CD . 15194 1 413 . 1 1 42 42 ARG N N 15 121.873 0.1 . 1 . . . . 41 R N . 15194 1 414 . 1 1 43 43 ILE H H 1 9.014 0.01 . 1 . . . . 42 I NH . 15194 1 415 . 1 1 43 43 ILE HA H 1 4.766 0.01 . 1 . . . . 42 I HA . 15194 1 416 . 1 1 43 43 ILE HB H 1 1.837 0.01 . 1 . . . . 42 I HB . 15194 1 417 . 1 1 43 43 ILE C C 13 174.705 0.1 . 1 . . . . 42 I CO . 15194 1 418 . 1 1 43 43 ILE CA C 13 58.829 0.1 . 1 . . . . 42 I CA . 15194 1 419 . 1 1 43 43 ILE CB C 13 41.196 0.1 . 1 . . . . 42 I CB . 15194 1 420 . 1 1 43 43 ILE CG2 C 13 19.500 0.1 . 1 . . . . 42 I CG2 . 15194 1 421 . 1 1 43 43 ILE N N 15 119.627 0.1 . 1 . . . . 42 I N . 15194 1 422 . 1 1 44 44 LYS H H 1 8.729 0.01 . 1 . . . . 43 K NH . 15194 1 423 . 1 1 44 44 LYS HA H 1 4.463 0.01 . 1 . . . . 43 K HA . 15194 1 424 . 1 1 44 44 LYS HB2 H 1 1.922 0.01 . 1 . . . . 43 K HB2 . 15194 1 425 . 1 1 44 44 LYS HB3 H 1 1.731 0.01 . 1 . . . . 43 K HB3 . 15194 1 426 . 1 1 44 44 LYS HD2 H 1 1.604 0.01 . 1 . . . . 43 K HD2 . 15194 1 427 . 1 1 44 44 LYS HD3 H 1 1.604 0.01 . 1 . . . . 43 K HD3 . 15194 1 428 . 1 1 44 44 LYS HE2 H 1 2.893 0.01 . 1 . . . . 43 K HE2 . 15194 1 429 . 1 1 44 44 LYS HE3 H 1 2.893 0.01 . 1 . . . . 43 K HE3 . 15194 1 430 . 1 1 44 44 LYS C C 13 179.407 0.1 . 1 . . . . 43 K CO . 15194 1 431 . 1 1 44 44 LYS CA C 13 57.439 0.1 . 1 . . . . 43 K CA . 15194 1 432 . 1 1 44 44 LYS CB C 13 32.425 0.1 . 1 . . . . 43 K CB . 15194 1 433 . 1 1 44 44 LYS CE C 13 42.058 0.1 . 1 . . . . 43 K CE . 15194 1 434 . 1 1 44 44 LYS N N 15 122.793 0.1 . 1 . . . . 43 K N . 15194 1 435 . 1 1 45 45 SER H H 1 8.747 0.01 . 1 . . . . 44 S NH . 15194 1 436 . 1 1 45 45 SER HA H 1 4.507 0.01 . 1 . . . . 44 S HA . 15194 1 437 . 1 1 45 45 SER HB2 H 1 3.632 0.01 . 1 . . . . 44 S HB2 . 15194 1 438 . 1 1 45 45 SER HB3 H 1 3.848 0.01 . 1 . . . . 44 S HB3 . 15194 1 439 . 1 1 45 45 SER C C 13 174.660 0.1 . 1 . . . . 44 S CO . 15194 1 440 . 1 1 45 45 SER CA C 13 61.520 0.1 . 1 . . . . 44 S CA . 15194 1 441 . 1 1 45 45 SER CB C 13 62.860 0.1 . 1 . . . . 44 S CB . 15194 1 442 . 1 1 45 45 SER N N 15 118.299 0.1 . 1 . . . . 44 S N . 15194 1 443 . 1 1 46 46 ARG H H 1 7.612 0.01 . 1 . . . . 45 R NH . 15194 1 444 . 1 1 46 46 ARG HA H 1 4.594 0.01 . 1 . . . . 45 R HA . 15194 1 445 . 1 1 46 46 ARG HB2 H 1 2.141 0.01 . 1 . . . . 45 R HB2 . 15194 1 446 . 1 1 46 46 ARG HB3 H 1 1.540 0.01 . 1 . . . . 45 R HB3 . 15194 1 447 . 1 1 46 46 ARG HD2 H 1 3.068 0.01 . 1 . . . . 45 R HD2 . 15194 1 448 . 1 1 46 46 ARG HD3 H 1 3.068 0.01 . 1 . . . . 45 R HD3 . 15194 1 449 . 1 1 46 46 ARG C C 13 175.553 0.1 . 1 . . . . 45 R CO . 15194 1 450 . 1 1 46 46 ARG CA C 13 55.694 0.1 . 1 . . . . 45 R CA . 15194 1 451 . 1 1 46 46 ARG CB C 13 29.708 0.1 . 1 . . . . 45 R CB . 15194 1 452 . 1 1 46 46 ARG CD C 13 43.451 0.1 . 1 . . . . 45 R CD . 15194 1 453 . 1 1 46 46 ARG N N 15 115.701 0.1 . 1 . . . . 45 R N . 15194 1 454 . 1 1 47 47 THR H H 1 7.397 0.01 . 1 . . . . 46 T NH . 15194 1 455 . 1 1 47 47 THR HA H 1 4.418 0.01 . 1 . . . . 46 T HA . 15194 1 456 . 1 1 47 47 THR HB H 1 4.132 0.01 . 1 . . . . 46 T HB . 15194 1 457 . 1 1 47 47 THR HG21 H 1 1.124 0.01 . 1 . . . . 46 T HG2 . 15194 1 458 . 1 1 47 47 THR HG22 H 1 1.124 0.01 . 1 . . . . 46 T HG2 . 15194 1 459 . 1 1 47 47 THR HG23 H 1 1.124 0.01 . 1 . . . . 46 T HG2 . 15194 1 460 . 1 1 47 47 THR C C 13 173.891 0.1 . 1 . . . . 46 T CO . 15194 1 461 . 1 1 47 47 THR CA C 13 61.991 0.1 . 1 . . . . 46 T CA . 15194 1 462 . 1 1 47 47 THR CB C 13 70.077 0.1 . 1 . . . . 46 T CB . 15194 1 463 . 1 1 47 47 THR CG2 C 13 21.286 0.1 . 1 . . . . 46 T CG . 15194 1 464 . 1 1 47 47 THR N N 15 117.764 0.1 . 1 . . . . 46 T N . 15194 1 465 . 1 1 48 48 ALA H H 1 8.277 0.01 . 1 . . . . 47 A NH . 15194 1 466 . 1 1 48 48 ALA HA H 1 4.329 0.01 . 1 . . . . 47 A HA . 15194 1 467 . 1 1 48 48 ALA HB1 H 1 1.324 0.01 . 1 . . . . 47 A HB . 15194 1 468 . 1 1 48 48 ALA HB2 H 1 1.324 0.01 . 1 . . . . 47 A HB . 15194 1 469 . 1 1 48 48 ALA HB3 H 1 1.324 0.01 . 1 . . . . 47 A HB . 15194 1 470 . 1 1 48 48 ALA C C 13 176.718 0.1 . 1 . . . . 47 A CO . 15194 1 471 . 1 1 48 48 ALA CA C 13 52.564 0.01 . 1 . . . . 47 A CA . 15194 1 472 . 1 1 48 48 ALA CB C 13 19.219 0.1 . 1 . . . . 47 A CB . 15194 1 473 . 1 1 48 48 ALA N N 15 127.269 0.1 . 1 . . . . 47 A N . 15194 1 474 . 1 1 49 49 LEU H H 1 8.275 0.01 . 1 . . . . 48 L NH . 15194 1 475 . 1 1 49 49 LEU HA H 1 3.852 0.01 . 1 . . . . 48 L HA . 15194 1 476 . 1 1 49 49 LEU HB2 H 1 1.567 0.01 . 1 . . . . 48 L HB2 . 15194 1 477 . 1 1 49 49 LEU HB3 H 1 1.089 0.01 . 1 . . . . 48 L HB3 . 15194 1 478 . 1 1 49 49 LEU HG H 1 1.466 0.01 . 1 . . . . 48 L HG . 15194 1 479 . 1 1 49 49 LEU HD11 H 1 0.516 0.01 . 1 . . . . 48 L HD1 . 15194 1 480 . 1 1 49 49 LEU HD12 H 1 0.516 0.01 . 1 . . . . 48 L HD1 . 15194 1 481 . 1 1 49 49 LEU HD13 H 1 0.516 0.01 . 1 . . . . 48 L HD1 . 15194 1 482 . 1 1 49 49 LEU HD21 H 1 0.516 0.01 . 1 . . . . 48 L HD2 . 15194 1 483 . 1 1 49 49 LEU HD22 H 1 0.516 0.01 . 1 . . . . 48 L HD2 . 15194 1 484 . 1 1 49 49 LEU HD23 H 1 0.516 0.01 . 1 . . . . 48 L HD2 . 15194 1 485 . 1 1 49 49 LEU C C 13 176.890 0.1 . 1 . . . . 48 L CO . 15194 1 486 . 1 1 49 49 LEU CA C 13 56.591 0.1 . 1 . . . . 48 L CA . 15194 1 487 . 1 1 49 49 LEU CB C 13 42.188 0.1 . 1 . . . . 48 L CB . 15194 1 488 . 1 1 49 49 LEU CG C 13 25.978 0.1 . 1 . . . . 48 L CG . 15194 1 489 . 1 1 49 49 LEU CD1 C 13 23.678 0.1 . 1 . . . . 48 L CD1 . 15194 1 490 . 1 1 49 49 LEU CD2 C 13 23.678 0.1 . 1 . . . . 48 L CD2 . 15194 1 491 . 1 1 49 49 LEU N N 15 122.105 0.1 . 1 . . . . 48 L N . 15194 1 492 . 1 1 50 50 LYS H H 1 8.161 0.01 . 1 . . . . 49 K NH . 15194 1 493 . 1 1 50 50 LYS HA H 1 3.665 0.01 . 1 . . . . 49 K HA . 15194 1 494 . 1 1 50 50 LYS HB2 H 1 1.696 0.01 . 1 . . . . 49 K HB2 . 15194 1 495 . 1 1 50 50 LYS HB3 H 1 1.509 0.01 . 1 . . . . 49 K HB3 . 15194 1 496 . 1 1 50 50 LYS HG2 H 1 1.223 0.01 . 1 . . . . 49 K HG2 . 15194 1 497 . 1 1 50 50 LYS HG3 H 1 1.223 0.01 . 1 . . . . 49 K HG3 . 15194 1 498 . 1 1 50 50 LYS HD2 H 1 1.481 0.01 . 1 . . . . 49 K HD2 . 15194 1 499 . 1 1 50 50 LYS HD3 H 1 1.481 0.01 . 1 . . . . 49 K HD3 . 15194 1 500 . 1 1 50 50 LYS HE2 H 1 2.897 0.01 . 1 . . . . 49 K HE2 . 15194 1 501 . 1 1 50 50 LYS HE3 H 1 2.897 0.01 . 1 . . . . 49 K HE3 . 15194 1 502 . 1 1 50 50 LYS C C 13 176.209 0.1 . 1 . . . . 49 K CO . 15194 1 503 . 1 1 50 50 LYS CA C 13 60.036 0.1 . 1 . . . . 49 K CA . 15194 1 504 . 1 1 50 50 LYS CB C 13 33.556 0.1 . 1 . . . . 49 K CB . 15194 1 505 . 1 1 50 50 LYS CG C 13 23.878 0.1 . 1 . . . . 49 K CG . 15194 1 506 . 1 1 50 50 LYS CD C 13 28.978 0.1 . 1 . . . . 49 K CD . 15194 1 507 . 1 1 50 50 LYS CE C 13 42.178 0.1 . 1 . . . . 49 K CE . 15194 1 508 . 1 1 50 50 LYS N N 15 119.561 0.1 . 1 . . . . 49 K N . 15194 1 509 . 1 1 51 51 LYS H H 1 7.421 0.01 . 1 . . . . 50 K NH . 15194 1 510 . 1 1 51 51 LYS HA H 1 4.044 0.01 . 1 . . . . 50 K HA . 15194 1 511 . 1 1 51 51 LYS HB2 H 1 1.765 0.01 . 1 . . . . 50 K HB2 . 15194 1 512 . 1 1 51 51 LYS HB3 H 1 1.765 0.01 . 1 . . . . 50 K HB3 . 15194 1 513 . 1 1 51 51 LYS HG2 H 1 1.387 0.01 . 1 . . . . 50 K HG2 . 15194 1 514 . 1 1 51 51 LYS HG3 H 1 1.387 0.01 . 1 . . . . 50 K HG3 . 15194 1 515 . 1 1 51 51 LYS HD2 H 1 1.637 0.01 . 1 . . . . 50 K HD2 . 15194 1 516 . 1 1 51 51 LYS HD3 H 1 1.637 0.01 . 1 . . . . 50 K HD3 . 15194 1 517 . 1 1 51 51 LYS HE2 H 1 2.919 0.01 . 1 . . . . 50 K HE2 . 15194 1 518 . 1 1 51 51 LYS HE3 H 1 2.919 0.01 . 1 . . . . 50 K HE3 . 15194 1 519 . 1 1 51 51 LYS C C 13 179.125 0.1 . 1 . . . . 50 K CO . 15194 1 520 . 1 1 51 51 LYS CA C 13 58.349 0.1 . 1 . . . . 50 K CA . 15194 1 521 . 1 1 51 51 LYS CB C 13 31.677 0.1 . 1 . . . . 50 K CB . 15194 1 522 . 1 1 51 51 LYS CG C 13 24.328 0.1 . 1 . . . . 50 K CG . 15194 1 523 . 1 1 51 51 LYS CD C 13 28.552 0.1 . 1 . . . . 50 K CD . 15194 1 524 . 1 1 51 51 LYS CE C 13 41.928 0.1 . 1 . . . . 50 K CE . 15194 1 525 . 1 1 51 51 LYS N N 15 114.955 0.1 . 1 . . . . 50 K N . 15194 1 526 . 1 1 52 52 LEU H H 1 7.590 0.01 . 1 . . . . 51 L NH . 15194 1 527 . 1 1 52 52 LEU HA H 1 4.878 0.01 . 1 . . . . 51 L HA . 15194 1 528 . 1 1 52 52 LEU HB2 H 1 1.491 0.01 . 1 . . . . 51 L HB2 . 15194 1 529 . 1 1 52 52 LEU HB3 H 1 1.266 0.01 . 1 . . . . 51 L HB3 . 15194 1 530 . 1 1 52 52 LEU HD11 H 1 0.456 0.01 . 1 . . . . 51 L HD2 . 15194 1 531 . 1 1 52 52 LEU HD12 H 1 0.456 0.01 . 1 . . . . 51 L HD2 . 15194 1 532 . 1 1 52 52 LEU HD13 H 1 0.456 0.01 . 1 . . . . 51 L HD2 . 15194 1 533 . 1 1 52 52 LEU HD21 H 1 0.456 0.01 . 1 . . . . 51 L HD3 . 15194 1 534 . 1 1 52 52 LEU HD22 H 1 0.456 0.01 . 1 . . . . 51 L HD3 . 15194 1 535 . 1 1 52 52 LEU HD23 H 1 0.456 0.01 . 1 . . . . 51 L HD3 . 15194 1 536 . 1 1 52 52 LEU C C 13 177.510 0.1 . 1 . . . . 51 L CO . 15194 1 537 . 1 1 52 52 LEU CA C 13 58.588 0.1 . 1 . . . . 51 L CA . 15194 1 538 . 1 1 52 52 LEU CB C 13 41.123 0.1 . 1 . . . . 51 L CB . 15194 1 539 . 1 1 52 52 LEU CD1 C 13 24.218 0.1 . 1 . . . . 51 L CD1 . 15194 1 540 . 1 1 52 52 LEU CD2 C 13 24.218 0.1 . 1 . . . . 51 L CD2 . 15194 1 541 . 1 1 52 52 LEU N N 15 121.857 0.1 . 1 . . . . 51 L N . 15194 1 542 . 1 1 53 53 ILE H H 1 7.664 0.01 . 1 . . . . 52 I NH . 15194 1 543 . 1 1 53 53 ILE HA H 1 4.562 0.01 . 1 . . . . 52 I HA . 15194 1 544 . 1 1 53 53 ILE HB H 1 1.458 0.01 . 1 . . . . 52 I HB . 15194 1 545 . 1 1 53 53 ILE C C 13 178.208 0.1 . 1 . . . . 52 I CO . 15194 1 546 . 1 1 53 53 ILE CA C 13 65.390 0.1 . 1 . . . . 52 I CA . 15194 1 547 . 1 1 53 53 ILE CB C 13 37.425 0.1 . 1 . . . . 52 I CB . 15194 1 548 . 1 1 53 53 ILE CG1 C 13 29.309 0.1 . 1 . . . . 52 I CG1 . 15194 1 549 . 1 1 53 53 ILE N N 15 120.658 0.1 . 1 . . . . 52 I N . 15194 1 550 . 1 1 54 54 ASP H H 1 8.704 0.01 . 1 . . . . 53 D NH . 15194 1 551 . 1 1 54 54 ASP HA H 1 4.268 0.01 . 1 . . . . 53 D HA . 15194 1 552 . 1 1 54 54 ASP HB2 H 1 2.702 0.01 . 1 . . . . 53 D HB2 . 15194 1 553 . 1 1 54 54 ASP HB3 H 1 2.544 0.01 . 1 . . . . 53 D HB3 . 15194 1 554 . 1 1 54 54 ASP C C 13 179.749 0.1 . 1 . . . . 53 D CO . 15194 1 555 . 1 1 54 54 ASP CA C 13 57.899 0.1 . 1 . . . . 53 D CA . 15194 1 556 . 1 1 54 54 ASP CB C 13 40.140 0.01 . 1 . . . . 53 D CB . 15194 1 557 . 1 1 54 54 ASP N N 15 120.266 0.1 . 1 . . . . 53 D N . 15194 1 558 . 1 1 55 55 THR H H 1 7.945 0.01 . 1 . . . . 54 T NH . 15194 1 559 . 1 1 55 55 THR HA H 1 4.247 0.01 . 1 . . . . 54 T HA . 15194 1 560 . 1 1 55 55 THR HB H 1 3.897 0.01 . 1 . . . . 54 T HB . 15194 1 561 . 1 1 55 55 THR C C 13 175.807 0.1 . 1 . . . . 54 T CO . 15194 1 562 . 1 1 55 55 THR CA C 13 67.307 0.1 . 1 . . . . 54 T CA . 15194 1 563 . 1 1 55 55 THR CB C 13 68.763 0.1 . 1 . . . . 54 T CB . 15194 1 564 . 1 1 55 55 THR N N 15 117.899 0.1 . 1 . . . . 54 T N . 15194 1 565 . 1 1 56 56 TYR H H 1 9.075 0.01 . 1 . . . . 55 Y NH . 15194 1 566 . 1 1 56 56 TYR HA H 1 4.593 0.01 . 1 . . . . 55 Y HA . 15194 1 567 . 1 1 56 56 TYR HB2 H 1 3.147 0.01 . 1 . . . . 55 Y HB2 . 15194 1 568 . 1 1 56 56 TYR HB3 H 1 3.147 0.01 . 1 . . . . 55 Y HB3 . 15194 1 569 . 1 1 56 56 TYR C C 13 177.174 0.1 . 1 . . . . 55 Y CO . 15194 1 570 . 1 1 56 56 TYR CA C 13 63.320 0.1 . 1 . . . . 55 Y CA . 15194 1 571 . 1 1 56 56 TYR CB C 13 38.536 0.1 . 1 . . . . 55 Y CB . 15194 1 572 . 1 1 56 56 TYR N N 15 123.311 0.1 . 1 . . . . 55 Y N . 15194 1 573 . 1 1 57 57 CYS H H 1 8.581 0.01 . 1 . . . . 56 C NH . 15194 1 574 . 1 1 57 57 CYS HA H 1 3.821 0.01 . 1 . . . . 56 C HA . 15194 1 575 . 1 1 57 57 CYS HB2 H 1 3.221 0.01 . 1 . . . . 56 C HB2 . 15194 1 576 . 1 1 57 57 CYS HB3 H 1 3.003 0.01 . 1 . . . . 56 C HB3 . 15194 1 577 . 1 1 57 57 CYS C C 13 177.129 0.1 . 1 . . . . 56 C CO . 15194 1 578 . 1 1 57 57 CYS CA C 13 65.037 0.1 . 1 . . . . 56 C CA . 15194 1 579 . 1 1 57 57 CYS CB C 13 26.303 0.1 . 1 . . . . 56 C CB . 15194 1 580 . 1 1 57 57 CYS N N 15 115.544 0.1 . 1 . . . . 56 C N . 15194 1 581 . 1 1 58 58 LYS H H 1 7.943 0.01 . 1 . . . . 57 K NH . 15194 1 582 . 1 1 58 58 LYS HA H 1 4.425 0.01 . 1 . . . . 57 K HA . 15194 1 583 . 1 1 58 58 LYS HB2 H 1 1.779 0.01 . 1 . . . . 57 K HB2 . 15194 1 584 . 1 1 58 58 LYS HB3 H 1 1.779 0.01 . 1 . . . . 57 K HB3 . 15194 1 585 . 1 1 58 58 LYS HG2 H 1 1.395 0.01 . 1 . . . . 57 K HG2 . 15194 1 586 . 1 1 58 58 LYS HG3 H 1 1.395 0.01 . 1 . . . . 57 K HG3 . 15194 1 587 . 1 1 58 58 LYS HD2 H 1 1.625 0.01 . 1 . . . . 57 K HD2 . 15194 1 588 . 1 1 58 58 LYS HD3 H 1 1.625 0.01 . 1 . . . . 57 K HD3 . 15194 1 589 . 1 1 58 58 LYS HE2 H 1 2.736 0.01 . 1 . . . . 57 K HE2 . 15194 1 590 . 1 1 58 58 LYS HE3 H 1 2.736 0.01 . 1 . . . . 57 K HE3 . 15194 1 591 . 1 1 58 58 LYS C C 13 179.894 0.1 . 1 . . . . 57 K CO . 15194 1 592 . 1 1 58 58 LYS CA C 13 59.453 0.1 . 1 . . . . 57 K CA . 15194 1 593 . 1 1 58 58 LYS CB C 13 32.433 0.1 . 1 . . . . 57 K CB . 15194 1 594 . 1 1 58 58 LYS CG C 13 24.678 0.1 . 1 . . . . 57 K CG . 15194 1 595 . 1 1 58 58 LYS CD C 13 28.478 0.1 . 1 . . . . 57 K CD . 15194 1 596 . 1 1 58 58 LYS CE C 13 41.861 0.1 . 1 . . . . 57 K CE . 15194 1 597 . 1 1 58 58 LYS N N 15 119.291 0.1 . 1 . . . . 57 K N . 15194 1 598 . 1 1 59 59 LYS H H 1 8.498 0.01 . 1 . . . . 58 K NH . 15194 1 599 . 1 1 59 59 LYS HA H 1 3.982 0.01 . 1 . . . . 58 K HA . 15194 1 600 . 1 1 59 59 LYS HB2 H 1 1.809 0.01 . 1 . . . . 58 K HB2 . 15194 1 601 . 1 1 59 59 LYS HB3 H 1 1.809 0.01 . 1 . . . . 58 K HB3 . 15194 1 602 . 1 1 59 59 LYS HG2 H 1 1.521 0.01 . 1 . . . . 58 K HG2 . 15194 1 603 . 1 1 59 59 LYS HG3 H 1 1.521 0.01 . 1 . . . . 58 K HG3 . 15194 1 604 . 1 1 59 59 LYS HD2 H 1 1.661 0.01 . 1 . . . . 58 K HD2 . 15194 1 605 . 1 1 59 59 LYS HD3 H 1 1.661 0.01 . 1 . . . . 58 K HD3 . 15194 1 606 . 1 1 59 59 LYS HE2 H 1 2.918 0.01 . 1 . . . . 58 K HE2 . 15194 1 607 . 1 1 59 59 LYS HE3 H 1 2.918 0.01 . 1 . . . . 58 K HE3 . 15194 1 608 . 1 1 59 59 LYS C C 13 178.774 0.1 . 1 . . . . 58 K CO . 15194 1 609 . 1 1 59 59 LYS CA C 13 58.964 0.1 . 1 . . . . 58 K CA . 15194 1 610 . 1 1 59 59 LYS CB C 13 32.365 0.1 . 1 . . . . 58 K CB . 15194 1 611 . 1 1 59 59 LYS CG C 13 25.078 0.1 . 1 . . . . 58 K CG . 15194 1 612 . 1 1 59 59 LYS CD C 13 28.878 0.1 . 1 . . . . 58 K CD . 15194 1 613 . 1 1 59 59 LYS CE C 13 41.843 0.1 . 1 . . . . 58 K CE . 15194 1 614 . 1 1 59 59 LYS N N 15 119.306 0.1 . 1 . . . . 58 K N . 15194 1 615 . 1 1 60 60 GLN H H 1 8.008 0.01 . 1 . . . . 59 Q NH . 15194 1 616 . 1 1 60 60 GLN HA H 1 4.073 0.01 . 1 . . . . 59 Q HA . 15194 1 617 . 1 1 60 60 GLN HB2 H 1 1.909 0.01 . 1 . . . . 59 Q HB2 . 15194 1 618 . 1 1 60 60 GLN HB3 H 1 1.909 0.01 . 1 . . . . 59 Q HB3 . 15194 1 619 . 1 1 60 60 GLN HG2 H 1 1.670 0.01 . 1 . . . . 59 Q HG2 . 15194 1 620 . 1 1 60 60 GLN HG3 H 1 1.517 0.01 . 1 . . . . 59 Q HG3 . 15194 1 621 . 1 1 60 60 GLN C C 13 176.302 0.1 . 1 . . . . 59 Q CO . 15194 1 622 . 1 1 60 60 GLN CA C 13 55.337 0.1 . 1 . . . . 59 Q CA . 15194 1 623 . 1 1 60 60 GLN CB C 13 29.710 0.1 . 1 . . . . 59 Q CB . 15194 1 624 . 1 1 60 60 GLN CG C 13 32.899 0.1 . 1 . . . . 59 Q CG . 15194 1 625 . 1 1 60 60 GLN N N 15 114.035 0.1 . 1 . . . . 59 Q N . 15194 1 626 . 1 1 61 61 GLY H H 1 7.755 0.01 . 1 . . . . 60 G NH . 15194 1 627 . 1 1 61 61 GLY HA2 H 1 3.817 0.01 . 1 . . . . 60 G HA2 . 15194 1 628 . 1 1 61 61 GLY HA3 H 1 3.817 0.01 . 1 . . . . 60 G HA3 . 15194 1 629 . 1 1 61 61 GLY C C 13 174.743 0.1 . 1 . . . . 60 G CO . 15194 1 630 . 1 1 61 61 GLY CA C 13 46.898 0.1 . 1 . . . . 60 G CA . 15194 1 631 . 1 1 61 61 GLY N N 15 109.586 0.1 . 1 . . . . 60 G N . 15194 1 632 . 1 1 62 62 ILE H H 1 7.860 0.01 . 1 . . . . 61 I NH . 15194 1 633 . 1 1 62 62 ILE HA H 1 4.496 0.01 . 1 . . . . 61 I HA . 15194 1 634 . 1 1 62 62 ILE HB H 1 1.658 0.01 . 1 . . . . 61 I HB . 15194 1 635 . 1 1 62 62 ILE HG21 H 1 0.746 0.01 . 1 . . . . 61 I HG2 . 15194 1 636 . 1 1 62 62 ILE HG22 H 1 0.746 0.01 . 1 . . . . 61 I HG2 . 15194 1 637 . 1 1 62 62 ILE HG23 H 1 0.746 0.01 . 1 . . . . 61 I HG2 . 15194 1 638 . 1 1 62 62 ILE C C 13 174.968 0.1 . 1 . . . . 61 I CO . 15194 1 639 . 1 1 62 62 ILE CA C 13 59.180 0.1 . 1 . . . . 61 I CA . 15194 1 640 . 1 1 62 62 ILE CB C 13 41.564 0.1 . 1 . . . . 61 I CB . 15194 1 641 . 1 1 62 62 ILE CG2 C 13 17.164 0.1 . 1 . . . . 61 I CG2 . 15194 1 642 . 1 1 62 62 ILE CD1 C 13 14.078 0.1 . 1 . . . . 61 I CD1 . 15194 1 643 . 1 1 62 62 ILE N N 15 114.844 0.1 . 1 . . . . 61 I N . 15194 1 644 . 1 1 63 63 SER H H 1 8.571 0.01 . 1 . . . . 62 S NH . 15194 1 645 . 1 1 63 63 SER HA H 1 4.388 0.01 . 1 . . . . 62 S HA . 15194 1 646 . 1 1 63 63 SER HB2 H 1 3.871 0.01 . 1 . . . . 62 S HB2 . 15194 1 647 . 1 1 63 63 SER HB3 H 1 3.871 0.01 . 1 . . . . 62 S HB3 . 15194 1 648 . 1 1 63 63 SER C C 13 176.849 0.1 . 1 . . . . 62 S CO . 15194 1 649 . 1 1 63 63 SER CA C 13 57.575 0.1 . 1 . . . . 62 S CA . 15194 1 650 . 1 1 63 63 SER CB C 13 63.905 0.1 . 1 . . . . 62 S CB . 15194 1 651 . 1 1 63 63 SER N N 15 117.860 0.1 . 1 . . . . 62 S N . 15194 1 652 . 1 1 64 64 ARG H H 1 9.092 0.01 . 1 . . . . 63 R NH . 15194 1 653 . 1 1 64 64 ARG HA H 1 4.372 0.01 . 1 . . . . 63 R HA . 15194 1 654 . 1 1 64 64 ARG HB2 H 1 1.978 0.01 . 1 . . . . 63 R HB2 . 15194 1 655 . 1 1 64 64 ARG HB3 H 1 1.787 0.01 . 1 . . . . 63 R HB3 . 15194 1 656 . 1 1 64 64 ARG HG2 H 1 1.641 0.01 . 1 . . . . 63 R HG2 . 15194 1 657 . 1 1 64 64 ARG HG3 H 1 1.641 0.01 . 1 . . . . 63 R HG3 . 15194 1 658 . 1 1 64 64 ARG HD2 H 1 3.232 0.01 . 1 . . . . 63 R HD2 . 15194 1 659 . 1 1 64 64 ARG HD3 H 1 3.232 0.01 . 1 . . . . 63 R HD3 . 15194 1 660 . 1 1 64 64 ARG C C 13 177.625 0.1 . 1 . . . . 63 R CO . 15194 1 661 . 1 1 64 64 ARG CA C 13 58.514 0.1 . 1 . . . . 63 R CA . 15194 1 662 . 1 1 64 64 ARG CB C 13 29.523 0.1 . 1 . . . . 63 R CB . 15194 1 663 . 1 1 64 64 ARG CG C 13 26.978 0.1 . 1 . . . . 63 R CG . 15194 1 664 . 1 1 64 64 ARG CD C 13 42.519 0.1 . 1 . . . . 63 R CD . 15194 1 665 . 1 1 64 64 ARG N N 15 128.231 0.1 . 1 . . . . 63 R N . 15194 1 666 . 1 1 65 65 ASN H H 1 8.324 0.01 . 1 . . . . 64 N NH . 15194 1 667 . 1 1 65 65 ASN HA H 1 4.665 0.01 . 1 . . . . 64 N HA . 15194 1 668 . 1 1 65 65 ASN HB2 H 1 2.791 0.01 . 1 . . . . 64 N HB2 . 15194 1 669 . 1 1 65 65 ASN HB3 H 1 2.791 0.01 . 1 . . . . 64 N HB3 . 15194 1 670 . 1 1 65 65 ASN C C 13 175.914 0.1 . 1 . . . . 64 N CO . 15194 1 671 . 1 1 65 65 ASN CA C 13 54.501 0.1 . 1 . . . . 64 N CA . 15194 1 672 . 1 1 65 65 ASN CB C 13 37.913 0.1 . 1 . . . . 64 N CB . 15194 1 673 . 1 1 65 65 ASN N N 15 113.558 0.1 . 1 . . . . 64 N N . 15194 1 674 . 1 1 66 66 SER H H 1 8.005 0.01 . 1 . . . . 65 S NH . 15194 1 675 . 1 1 66 66 SER HA H 1 4.508 0.01 . 1 . . . . 65 S HA . 15194 1 676 . 1 1 66 66 SER HB2 H 1 3.968 0.01 . 1 . . . . 65 S HB2 . 15194 1 677 . 1 1 66 66 SER HB3 H 1 3.968 0.01 . 1 . . . . 65 S HB3 . 15194 1 678 . 1 1 66 66 SER C C 13 172.706 0.1 . 1 . . . . 65 S CO . 15194 1 679 . 1 1 66 66 SER CA C 13 58.903 0.1 . 1 . . . . 65 S CA . 15194 1 680 . 1 1 66 66 SER CB C 13 65.165 0.1 . 1 . . . . 65 S CB . 15194 1 681 . 1 1 66 66 SER N N 15 113.925 0.1 . 1 . . . . 65 S N . 15194 1 682 . 1 1 67 67 VAL H H 1 7.416 0.01 . 1 . . . . 66 V NH . 15194 1 683 . 1 1 67 67 VAL HA H 1 4.444 0.01 . 1 . . . . 66 V HA . 15194 1 684 . 1 1 67 67 VAL HB H 1 2.867 0.01 . 1 . . . . 66 V HB . 15194 1 685 . 1 1 67 67 VAL HG11 H 1 0.571 0.01 . 1 . . . . 66 V HG1 . 15194 1 686 . 1 1 67 67 VAL HG12 H 1 0.571 0.01 . 1 . . . . 66 V HG1 . 15194 1 687 . 1 1 67 67 VAL HG13 H 1 0.571 0.01 . 1 . . . . 66 V HG1 . 15194 1 688 . 1 1 67 67 VAL HG21 H 1 0.518 0.01 . 1 . . . . 66 V HG2 . 15194 1 689 . 1 1 67 67 VAL HG22 H 1 0.518 0.01 . 1 . . . . 66 V HG2 . 15194 1 690 . 1 1 67 67 VAL HG23 H 1 0.518 0.01 . 1 . . . . 66 V HG2 . 15194 1 691 . 1 1 67 67 VAL C C 13 172.994 0.1 . 1 . . . . 66 V CO . 15194 1 692 . 1 1 67 67 VAL CA C 13 59.560 0.1 . 1 . . . . 66 V CA . 15194 1 693 . 1 1 67 67 VAL CB C 13 35.180 0.1 . 1 . . . . 66 V CB . 15194 1 694 . 1 1 67 67 VAL CG1 C 13 21.366 0.1 . 1 . . . . 66 V CG . 15194 1 695 . 1 1 67 67 VAL CG2 C 13 21.366 0.1 . 1 . . . . 66 V CG . 15194 1 696 . 1 1 67 67 VAL N N 15 119.223 0.1 . 1 . . . . 66 V N . 15194 1 697 . 1 1 68 68 ARG H H 1 8.553 0.01 . 1 . . . . 67 R NH . 15194 1 698 . 1 1 68 68 ARG HA H 1 4.586 0.01 . 1 . . . . 67 R HA . 15194 1 699 . 1 1 68 68 ARG HB2 H 1 1.827 0.01 . 1 . . . . 67 R HB2 . 15194 1 700 . 1 1 68 68 ARG HB3 H 1 1.581 0.01 . 1 . . . . 67 R HB3 . 15194 1 701 . 1 1 68 68 ARG HG2 H 1 1.403 0.01 . 1 . . . . 67 R HG2 . 15194 1 702 . 1 1 68 68 ARG HG3 H 1 1.403 0.01 . 1 . . . . 67 R HG3 . 15194 1 703 . 1 1 68 68 ARG HD2 H 1 3.054 0.01 . 1 . . . . 67 R HD2 . 15194 1 704 . 1 1 68 68 ARG HD3 H 1 3.054 0.01 . 1 . . . . 67 R HD3 . 15194 1 705 . 1 1 68 68 ARG C C 13 173.958 0.1 . 1 . . . . 67 R CO . 15194 1 706 . 1 1 68 68 ARG CA C 13 54.082 0.1 . 1 . . . . 67 R CA . 15194 1 707 . 1 1 68 68 ARG CB C 13 32.805 0.1 . 1 . . . . 67 R CB . 15194 1 708 . 1 1 68 68 ARG CD C 13 43.341 0.1 . 1 . . . . 67 R CD . 15194 1 709 . 1 1 68 68 ARG N N 15 124.491 0.1 . 1 . . . . 67 R N . 15194 1 710 . 1 1 69 69 PHE H H 1 8.724 0.01 . 1 . . . . 68 F NH . 15194 1 711 . 1 1 69 69 PHE CA C 13 56.197 0.1 . 1 . . . . 68 F CA . 15194 1 712 . 1 1 69 69 PHE CB C 13 41.280 0.1 . 1 . . . . 68 F CB . 15194 1 713 . 1 1 69 69 PHE N N 15 121.049 0.1 . 1 . . . . 68 F N . 15194 1 714 . 1 1 70 70 LEU HA H 1 4.723 0.01 . 1 . . . . 69 L HA . 15194 1 715 . 1 1 70 70 LEU HB2 H 1 1.745 0.01 . 1 . . . . 69 L HB2 . 15194 1 716 . 1 1 70 70 LEU HB3 H 1 1.745 0.01 . 1 . . . . 69 L HB3 . 15194 1 717 . 1 1 70 70 LEU HD11 H 1 0.637 0.01 . 1 . . . . 69 L HD1 . 15194 1 718 . 1 1 70 70 LEU HD12 H 1 0.637 0.01 . 1 . . . . 69 L HD1 . 15194 1 719 . 1 1 70 70 LEU HD13 H 1 0.637 0.01 . 1 . . . . 69 L HD1 . 15194 1 720 . 1 1 70 70 LEU HD21 H 1 0.543 0.01 . 1 . . . . 69 L HD2 . 15194 1 721 . 1 1 70 70 LEU HD22 H 1 0.543 0.01 . 1 . . . . 69 L HD2 . 15194 1 722 . 1 1 70 70 LEU HD23 H 1 0.543 0.01 . 1 . . . . 69 L HD2 . 15194 1 723 . 1 1 70 70 LEU C C 13 175.069 0.1 . 1 . . . . 69 L CO . 15194 1 724 . 1 1 70 70 LEU CA C 13 53.458 0.1 . 1 . . . . 69 L CA . 15194 1 725 . 1 1 70 70 LEU CB C 13 38.819 0.1 . 1 . . . . 69 L CB . 15194 1 726 . 1 1 70 70 LEU CD1 C 13 24.342 0.1 . 1 . . . . 69 L CD1 . 15194 1 727 . 1 1 70 70 LEU CD2 C 13 24.342 0.1 . 1 . . . . 69 L CD2 . 15194 1 728 . 1 1 71 71 PHE H H 1 8.655 0.01 . 1 . . . . 70 F NH . 15194 1 729 . 1 1 71 71 PHE HA H 1 5.307 0.01 . 1 . . . . 70 F HA . 15194 1 730 . 1 1 71 71 PHE HB2 H 1 2.601 0.01 . 1 . . . . 70 F HB2 . 15194 1 731 . 1 1 71 71 PHE HB3 H 1 2.464 0.01 . 1 . . . . 70 F HB3 . 15194 1 732 . 1 1 71 71 PHE C C 13 175.363 0.1 . 1 . . . . 70 F CO . 15194 1 733 . 1 1 71 71 PHE CA C 13 56.699 0.1 . 1 . . . . 70 F CA . 15194 1 734 . 1 1 71 71 PHE CB C 13 41.169 0.1 . 1 . . . . 70 F CB . 15194 1 735 . 1 1 71 71 PHE N N 15 119.649 0.1 . 1 . . . . 70 F N . 15194 1 736 . 1 1 72 72 ASP H H 1 9.099 0.01 . 1 . . . . 71 D NH . 15194 1 737 . 1 1 72 72 ASP HA H 1 5.307 0.01 . 1 . . . . 71 D HA . 15194 1 738 . 1 1 72 72 ASP HB2 H 1 2.700 0.01 . 1 . . . . 71 D HB2 . 15194 1 739 . 1 1 72 72 ASP HB3 H 1 2.700 0.01 . 1 . . . . 71 D HB3 . 15194 1 740 . 1 1 72 72 ASP C C 13 176.373 0.1 . 1 . . . . 71 D CO . 15194 1 741 . 1 1 72 72 ASP CA C 13 54.917 0.1 . 1 . . . . 71 D CA . 15194 1 742 . 1 1 72 72 ASP CB C 13 41.001 0.1 . 1 . . . . 71 D CB . 15194 1 743 . 1 1 72 72 ASP N N 15 124.127 0.1 . 1 . . . . 71 D N . 15194 1 744 . 1 1 73 73 GLY H H 1 8.418 0.01 . 1 . . . . 72 G NH . 15194 1 745 . 1 1 73 73 GLY HA2 H 1 4.060 0.01 . 1 . . . . 72 G HA2 . 15194 1 746 . 1 1 73 73 GLY HA3 H 1 3.401 0.01 . 1 . . . . 72 G HA3 . 15194 1 747 . 1 1 73 73 GLY C C 13 174.129 0.1 . 1 . . . . 72 G CO . 15194 1 748 . 1 1 73 73 GLY CA C 13 45.636 0.1 . 1 . . . . 72 G CA . 15194 1 749 . 1 1 73 73 GLY N N 15 114.190 0.1 . 1 . . . . 72 G N . 15194 1 750 . 1 1 74 74 THR H H 1 7.838 0.01 . 1 . . . . 73 T NH . 15194 1 751 . 1 1 74 74 THR C C 13 172.337 0.1 . 1 . . . . 73 T CO . 15194 1 752 . 1 1 74 74 THR CA C 13 59.730 0.1 . 1 . . . . 73 T CA . 15194 1 753 . 1 1 74 74 THR CB C 13 71.359 0.1 . 1 . . . . 73 T CB . 15194 1 754 . 1 1 74 74 THR N N 15 118.167 0.1 . 1 . . . . 73 T N . 15194 1 755 . 1 1 75 75 PRO HA H 1 4.698 0.01 . 1 . . . . 74 P HA . 15194 1 756 . 1 1 75 75 PRO HB2 H 1 2.249 0.01 . 1 . . . . 74 P HB2 . 15194 1 757 . 1 1 75 75 PRO HB3 H 1 1.868 0.01 . 1 . . . . 74 P HB3 . 15194 1 758 . 1 1 75 75 PRO C C 13 177.264 0.1 . 1 . . . . 74 P CO . 15194 1 759 . 1 1 75 75 PRO CA C 13 63.159 0.1 . 1 . . . . 74 P CA . 15194 1 760 . 1 1 75 75 PRO CB C 13 32.117 0.1 . 1 . . . . 74 P CB . 15194 1 761 . 1 1 75 75 PRO CG C 13 27.443 0.1 . 1 . . . . 74 P CG . 15194 1 762 . 1 1 76 76 ILE H H 1 8.547 0.01 . 1 . . . . 75 I NH . 15194 1 763 . 1 1 76 76 ILE HA H 1 3.864 0.01 . 1 . . . . 75 I HA . 15194 1 764 . 1 1 76 76 ILE HB H 1 1.545 0.01 . 1 . . . . 75 I HB . 15194 1 765 . 1 1 76 76 ILE HG12 H 1 1.439 0.01 . 1 . . . . 75 I HG12 . 15194 1 766 . 1 1 76 76 ILE HG13 H 1 1.439 0.01 . 1 . . . . 75 I HG13 . 15194 1 767 . 1 1 76 76 ILE HG21 H 1 0.539 0.01 . 1 . . . . 75 I HG2 . 15194 1 768 . 1 1 76 76 ILE HG22 H 1 0.539 0.01 . 1 . . . . 75 I HG2 . 15194 1 769 . 1 1 76 76 ILE HG23 H 1 0.539 0.01 . 1 . . . . 75 I HG2 . 15194 1 770 . 1 1 76 76 ILE C C 13 175.726 0.1 . 1 . . . . 75 I CO . 15194 1 771 . 1 1 76 76 ILE CA C 13 62.107 0.1 . 1 . . . . 75 I CA . 15194 1 772 . 1 1 76 76 ILE CB C 13 39.793 0.1 . 1 . . . . 75 I CB . 15194 1 773 . 1 1 76 76 ILE CG2 C 13 17.141 0.1 . 1 . . . . 75 I CG2 . 15194 1 774 . 1 1 76 76 ILE CD1 C 13 14.424 0.1 . 1 . . . . 75 I CD1 . 15194 1 775 . 1 1 76 76 ILE N N 15 123.839 0.1 . 1 . . . . 75 I N . 15194 1 776 . 1 1 77 77 ASP H H 1 8.005 0.01 . 1 . . . . 76 D NH . 15194 1 777 . 1 1 77 77 ASP HA H 1 4.601 0.01 . 1 . . . . 76 D HA . 15194 1 778 . 1 1 77 77 ASP HB3 H 1 2.632 0.01 . 1 . . . . 76 D HB3 . 15194 1 779 . 1 1 77 77 ASP C C 13 176.317 0.1 . 1 . . . . 76 D CO . 15194 1 780 . 1 1 77 77 ASP CA C 13 52.512 0.1 . 1 . . . . 76 D CA . 15194 1 781 . 1 1 77 77 ASP CB C 13 40.581 0.1 . 1 . . . . 76 D CB . 15194 1 782 . 1 1 77 77 ASP N N 15 127.490 0.1 . 1 . . . . 76 D N . 15194 1 783 . 1 1 78 78 GLU H H 1 8.863 0.01 . 1 . . . . 77 E NH . 15194 1 784 . 1 1 78 78 GLU HA H 1 4.315 0.01 . 1 . . . . 77 E HA . 15194 1 785 . 1 1 78 78 GLU HB2 H 1 2.086 0.01 . 1 . . . . 77 E HB2 . 15194 1 786 . 1 1 78 78 GLU HB3 H 1 2.086 0.01 . 1 . . . . 77 E HB3 . 15194 1 787 . 1 1 78 78 GLU HG2 H 1 2.222 0.01 . 1 . . . . 77 E HG2 . 15194 1 788 . 1 1 78 78 GLU HG3 H 1 2.222 0.01 . 1 . . . . 77 E HG3 . 15194 1 789 . 1 1 78 78 GLU C C 13 175.585 0.1 . 1 . . . . 77 E CO . 15194 1 790 . 1 1 78 78 GLU CA C 13 58.018 0.1 . 1 . . . . 77 E CA . 15194 1 791 . 1 1 78 78 GLU CB C 13 29.423 0.1 . 1 . . . . 77 E CB . 15194 1 792 . 1 1 78 78 GLU CG C 13 36.028 0.1 . 1 . . . . 77 E CG . 15194 1 793 . 1 1 78 78 GLU N N 15 123.381 0.1 . 1 . . . . 77 E N . 15194 1 794 . 1 1 79 79 THR H H 1 8.444 0.01 . 1 . . . . 78 T NH . 15194 1 795 . 1 1 79 79 THR HA H 1 4.425 0.01 . 1 . . . . 78 T HA . 15194 1 796 . 1 1 79 79 THR HB H 1 4.235 0.01 . 1 . . . . 78 T HB . 15194 1 797 . 1 1 79 79 THR HG21 H 1 1.199 0.01 . 1 . . . . 78 T HG2 . 15194 1 798 . 1 1 79 79 THR HG22 H 1 1.199 0.01 . 1 . . . . 78 T HG2 . 15194 1 799 . 1 1 79 79 THR HG23 H 1 1.199 0.01 . 1 . . . . 78 T HG2 . 15194 1 800 . 1 1 79 79 THR C C 13 175.661 0.1 . 1 . . . . 78 T CO . 15194 1 801 . 1 1 79 79 THR CA C 13 62.995 0.1 . 1 . . . . 78 T CA . 15194 1 802 . 1 1 79 79 THR CB C 13 69.740 0.1 . 1 . . . . 78 T CB . 15194 1 803 . 1 1 79 79 THR CG2 C 13 21.516 0.1 . 1 . . . . 78 T CG . 15194 1 804 . 1 1 79 79 THR N N 15 109.248 0.1 . 1 . . . . 78 T N . 15194 1 805 . 1 1 80 80 LYS H H 1 7.882 0.01 . 1 . . . . 79 K NH . 15194 1 806 . 1 1 80 80 LYS HA H 1 4.609 0.01 . 1 . . . . 79 K HA . 15194 1 807 . 1 1 80 80 LYS HD2 H 1 1.491 0.01 . 1 . . . . 79 K HD2 . 15194 1 808 . 1 1 80 80 LYS HD3 H 1 1.491 0.01 . 1 . . . . 79 K HD3 . 15194 1 809 . 1 1 80 80 LYS HE2 H 1 2.889 0.01 . 1 . . . . 79 K HE2 . 15194 1 810 . 1 1 80 80 LYS HE3 H 1 2.889 0.01 . 1 . . . . 79 K HE3 . 15194 1 811 . 1 1 80 80 LYS C C 13 175.400 0.1 . 1 . . . . 79 K CO . 15194 1 812 . 1 1 80 80 LYS CA C 13 54.527 0.1 . 1 . . . . 79 K CA . 15194 1 813 . 1 1 80 80 LYS CB C 13 34.071 0.1 . 1 . . . . 79 K CB . 15194 1 814 . 1 1 80 80 LYS CG C 13 25.478 0.1 . 1 . . . . 79 K CG . 15194 1 815 . 1 1 80 80 LYS CD C 13 28.878 0.1 . 1 . . . . 79 K CD . 15194 1 816 . 1 1 80 80 LYS CE C 13 42.478 0.1 . 1 . . . . 79 K CE . 15194 1 817 . 1 1 80 80 LYS N N 15 122.138 0.1 . 1 . . . . 79 K N . 15194 1 818 . 1 1 81 81 THR H H 1 8.422 0.01 . 1 . . . . 80 T NH . 15194 1 819 . 1 1 81 81 THR C C 13 173.998 0.1 . 1 . . . . 80 T CO . 15194 1 820 . 1 1 81 81 THR CA C 13 58.553 0.1 . 1 . . . . 80 T CA . 15194 1 821 . 1 1 81 81 THR CB C 13 68.794 0.1 . 1 . . . . 80 T CB . 15194 1 822 . 1 1 81 81 THR N N 15 110.366 0.1 . 1 . . . . 80 T N . 15194 1 823 . 1 1 82 82 PRO HA H 1 3.946 0.01 . 1 . . . . 81 P HA . 15194 1 824 . 1 1 82 82 PRO C C 13 178.700 0.1 . 1 . . . . 81 P CO . 15194 1 825 . 1 1 82 82 PRO CA C 13 66.184 0.1 . 1 . . . . 81 P CA . 15194 1 826 . 1 1 83 83 GLU H H 1 8.262 0.01 . 1 . . . . 82 E NH . 15194 1 827 . 1 1 83 83 GLU HA H 1 4.046 0.01 . 1 . . . . 82 E HA . 15194 1 828 . 1 1 83 83 GLU HB2 H 1 1.856 0.01 . 1 . . . . 82 E HB2 . 15194 1 829 . 1 1 83 83 GLU HB3 H 1 1.608 0.01 . 1 . . . . 82 E HB3 . 15194 1 830 . 1 1 83 83 GLU HG2 H 1 2.149 0.01 . 1 . . . . 82 E HG2 . 15194 1 831 . 1 1 83 83 GLU HG3 H 1 2.107 0.01 . 1 . . . . 82 E HG3 . 15194 1 832 . 1 1 83 83 GLU C C 13 180.166 0.1 . 1 . . . . 82 E CO . 15194 1 833 . 1 1 83 83 GLU CA C 13 59.433 0.1 . 1 . . . . 82 E CA . 15194 1 834 . 1 1 83 83 GLU CB C 13 30.028 0.1 . 1 . . . . 82 E CB . 15194 1 835 . 1 1 83 83 GLU CG C 13 36.086 0.1 . 1 . . . . 82 E CG . 15194 1 836 . 1 1 83 83 GLU N N 15 116.171 0.1 . 1 . . . . 82 E N . 15194 1 837 . 1 1 84 84 GLU H H 1 8.022 0.01 . 1 . . . . 83 E NH . 15194 1 838 . 1 1 84 84 GLU HA H 1 3.947 0.01 . 1 . . . . 83 E HA . 15194 1 839 . 1 1 84 84 GLU HB2 H 1 2.333 0.01 . 1 . . . . 83 E HB2 . 15194 1 840 . 1 1 84 84 GLU HB3 H 1 1.923 0.01 . 1 . . . . 83 E HB3 . 15194 1 841 . 1 1 84 84 GLU HG2 H 1 2.292 0.01 . 1 . . . . 83 E HG2 . 15194 1 842 . 1 1 84 84 GLU HG3 H 1 2.292 0.01 . 1 . . . . 83 E HG3 . 15194 1 843 . 1 1 84 84 GLU C C 13 178.939 0.1 . 1 . . . . 83 E CO . 15194 1 844 . 1 1 84 84 GLU CA C 13 59.195 0.1 . 1 . . . . 83 E CA . 15194 1 845 . 1 1 84 84 GLU CB C 13 30.258 0.1 . 1 . . . . 83 E CB . 15194 1 846 . 1 1 84 84 GLU CG C 13 37.246 0.1 . 1 . . . . 83 E CG . 15194 1 847 . 1 1 84 84 GLU N N 15 120.670 0.1 . 1 . . . . 83 E N . 15194 1 848 . 1 1 85 85 LEU H H 1 7.793 0.01 . 1 . . . . 84 L NH . 15194 1 849 . 1 1 85 85 LEU HA H 1 4.301 0.01 . 1 . . . . 84 L HA . 15194 1 850 . 1 1 85 85 LEU HB2 H 1 1.495 0.01 . 1 . . . . 84 L HB2 . 15194 1 851 . 1 1 85 85 LEU HB3 H 1 1.495 0.01 . 1 . . . . 84 L HB3 . 15194 1 852 . 1 1 85 85 LEU HD11 H 1 0.821 0.01 . 1 . . . . 84 L HD1 . 15194 1 853 . 1 1 85 85 LEU HD12 H 1 0.821 0.01 . 1 . . . . 84 L HD1 . 15194 1 854 . 1 1 85 85 LEU HD13 H 1 0.821 0.01 . 1 . . . . 84 L HD1 . 15194 1 855 . 1 1 85 85 LEU HD21 H 1 0.608 0.01 . 1 . . . . 84 L HD2 . 15194 1 856 . 1 1 85 85 LEU HD22 H 1 0.608 0.01 . 1 . . . . 84 L HD2 . 15194 1 857 . 1 1 85 85 LEU HD23 H 1 0.608 0.01 . 1 . . . . 84 L HD2 . 15194 1 858 . 1 1 85 85 LEU C C 13 176.872 0.1 . 1 . . . . 84 L CO . 15194 1 859 . 1 1 85 85 LEU CA C 13 55.064 0.1 . 1 . . . . 84 L CA . 15194 1 860 . 1 1 85 85 LEU CB C 13 42.713 0.1 . 1 . . . . 84 L CB . 15194 1 861 . 1 1 85 85 LEU CG C 13 25.658 0.1 . 1 . . . . 84 L CG . 15194 1 862 . 1 1 85 85 LEU CD1 C 13 22.478 0.1 . 1 . . . . 84 L CD1 . 15194 1 863 . 1 1 85 85 LEU CD2 C 13 22.478 0.1 . 1 . . . . 84 L CD2 . 15194 1 864 . 1 1 85 85 LEU N N 15 117.049 0.1 . 1 . . . . 84 L N . 15194 1 865 . 1 1 86 86 GLY H H 1 7.834 0.01 . 1 . . . . 85 G NH . 15194 1 866 . 1 1 86 86 GLY HA2 H 1 3.937 0.01 . 1 . . . . 85 G HA2 . 15194 1 867 . 1 1 86 86 GLY HA3 H 1 3.817 0.01 . 1 . . . . 85 G HA3 . 15194 1 868 . 1 1 86 86 GLY C C 13 175.132 0.1 . 1 . . . . 85 G CO . 15194 1 869 . 1 1 86 86 GLY CA C 13 46.330 0.1 . 1 . . . . 85 G CA . 15194 1 870 . 1 1 86 86 GLY N N 15 108.354 0.1 . 1 . . . . 85 G N . 15194 1 871 . 1 1 87 87 MET H H 1 7.898 0.01 . 1 . . . . 86 M NH . 15194 1 872 . 1 1 87 87 MET HA H 1 4.260 0.01 . 1 . . . . 86 M HA . 15194 1 873 . 1 1 87 87 MET HB2 H 1 1.585 0.01 . 1 . . . . 86 M HB2 . 15194 1 874 . 1 1 87 87 MET HB3 H 1 1.317 0.01 . 1 . . . . 86 M HB3 . 15194 1 875 . 1 1 87 87 MET HG2 H 1 1.978 0.01 . 1 . . . . 86 M HG2 . 15194 1 876 . 1 1 87 87 MET HG3 H 1 1.483 0.01 . 1 . . . . 86 M HG3 . 15194 1 877 . 1 1 87 87 MET C C 13 174.710 0.1 . 1 . . . . 86 M CO . 15194 1 878 . 1 1 87 87 MET CA C 13 56.909 0.1 . 1 . . . . 86 M CA . 15194 1 879 . 1 1 87 87 MET CB C 13 34.060 0.1 . 1 . . . . 86 M CB . 15194 1 880 . 1 1 87 87 MET CG C 13 32.495 0.1 . 1 . . . . 86 M CG . 15194 1 881 . 1 1 87 87 MET N N 15 118.827 0.1 . 1 . . . . 86 M N . 15194 1 882 . 1 1 88 88 GLU H H 1 9.427 0.01 . 1 . . . . 87 E NH . 15194 1 883 . 1 1 88 88 GLU HA H 1 4.450 0.01 . 1 . . . . 87 E HA . 15194 1 884 . 1 1 88 88 GLU HB2 H 1 2.023 0.01 . 1 . . . . 87 E HB2 . 15194 1 885 . 1 1 88 88 GLU HB3 H 1 1.766 0.01 . 1 . . . . 87 E HB3 . 15194 1 886 . 1 1 88 88 GLU HG2 H 1 2.203 0.01 . 1 . . . . 87 E HG2 . 15194 1 887 . 1 1 88 88 GLU HG3 H 1 2.203 0.01 . 1 . . . . 87 E HG3 . 15194 1 888 . 1 1 88 88 GLU C C 13 174.255 0.1 . 1 . . . . 87 E CO . 15194 1 889 . 1 1 88 88 GLU CA C 13 54.191 0.1 . 1 . . . . 87 E CA . 15194 1 890 . 1 1 88 88 GLU CB C 13 33.726 0.1 . 1 . . . . 87 E CB . 15194 1 891 . 1 1 88 88 GLU CG C 13 35.168 0.1 . 1 . . . . 87 E CG . 15194 1 892 . 1 1 88 88 GLU N N 15 123.761 0.1 . 1 . . . . 87 E N . 15194 1 893 . 1 1 89 89 ASP H H 1 8.239 0.01 . 1 . . . . 88 D NH . 15194 1 894 . 1 1 89 89 ASP HA H 1 4.771 0.01 . 1 . . . . 88 D HA . 15194 1 895 . 1 1 89 89 ASP HB2 H 1 2.718 0.01 . 1 . . . . 88 D HB2 . 15194 1 896 . 1 1 89 89 ASP HB3 H 1 2.502 0.01 . 1 . . . . 88 D HB3 . 15194 1 897 . 1 1 89 89 ASP C C 13 178.101 0.1 . 1 . . . . 88 D CO . 15194 1 898 . 1 1 89 89 ASP CA C 13 56.390 0.1 . 1 . . . . 88 D CA . 15194 1 899 . 1 1 89 89 ASP CB C 13 41.294 0.1 . 1 . . . . 88 D CB . 15194 1 900 . 1 1 89 89 ASP N N 15 117.322 0.1 . 1 . . . . 88 D N . 15194 1 901 . 1 1 90 90 ASP H H 1 9.638 0.01 . 1 . . . . 89 D NH . 15194 1 902 . 1 1 90 90 ASP HA H 1 4.726 0.01 . 1 . . . . 89 D HA . 15194 1 903 . 1 1 90 90 ASP HB2 H 1 3.058 0.01 . 1 . . . . 89 D HB2 . 15194 1 904 . 1 1 90 90 ASP HB3 H 1 2.881 0.01 . 1 . . . . 89 D HB3 . 15194 1 905 . 1 1 90 90 ASP C C 13 175.662 0.1 . 1 . . . . 89 D CO . 15194 1 906 . 1 1 90 90 ASP CB C 13 38.978 0.1 . 1 . . . . 89 D CB . 15194 1 907 . 1 1 90 90 ASP N N 15 115.905 0.1 . 1 . . . . 89 D N . 15194 1 908 . 1 1 91 91 ASP H H 1 8.158 0.01 . 1 . . . . 90 D NH . 15194 1 909 . 1 1 91 91 ASP HA H 1 4.862 0.01 . 1 . . . . 90 D HA . 15194 1 910 . 1 1 91 91 ASP HB2 H 1 2.967 0.01 . 1 . . . . 90 D HB2 . 15194 1 911 . 1 1 91 91 ASP HB3 H 1 2.681 0.01 . 1 . . . . 90 D HB3 . 15194 1 912 . 1 1 91 91 ASP C C 13 174.659 0.1 . 1 . . . . 90 D CO . 15194 1 913 . 1 1 91 91 ASP CA C 13 55.802 0.1 . 1 . . . . 90 D CA . 15194 1 914 . 1 1 91 91 ASP CB C 13 42.265 0.1 . 1 . . . . 90 D CB . 15194 1 915 . 1 1 91 91 ASP N N 15 121.023 0.1 . 1 . . . . 90 D N . 15194 1 916 . 1 1 92 92 VAL H H 1 8.272 0.01 . 1 . . . . 91 V NH . 15194 1 917 . 1 1 92 92 VAL HA H 1 4.777 0.01 . 1 . . . . 91 V HA . 15194 1 918 . 1 1 92 92 VAL HB H 1 1.828 0.01 . 1 . . . . 91 V HB . 15194 1 919 . 1 1 92 92 VAL HG11 H 1 0.918 0.01 . 1 . . . . 91 V HG1 . 15194 1 920 . 1 1 92 92 VAL HG12 H 1 0.918 0.01 . 1 . . . . 91 V HG1 . 15194 1 921 . 1 1 92 92 VAL HG13 H 1 0.918 0.01 . 1 . . . . 91 V HG1 . 15194 1 922 . 1 1 92 92 VAL HG21 H 1 0.589 0.01 . 1 . . . . 91 V HG2 . 15194 1 923 . 1 1 92 92 VAL HG22 H 1 0.589 0.01 . 1 . . . . 91 V HG2 . 15194 1 924 . 1 1 92 92 VAL HG23 H 1 0.589 0.01 . 1 . . . . 91 V HG2 . 15194 1 925 . 1 1 92 92 VAL C C 13 175.783 0.1 . 1 . . . . 91 V CO . 15194 1 926 . 1 1 92 92 VAL CA C 13 60.981 0.1 . 1 . . . . 91 V CA . 15194 1 927 . 1 1 92 92 VAL CB C 13 35.076 0.1 . 1 . . . . 91 V CB . 15194 1 928 . 1 1 92 92 VAL CG1 C 13 22.228 0.1 . 1 . . . . 91 V CG1 . 15194 1 929 . 1 1 92 92 VAL CG2 C 13 22.228 0.1 . 1 . . . . 91 V CG2 . 15194 1 930 . 1 1 92 92 VAL N N 15 116.967 0.1 . 1 . . . . 91 V N . 15194 1 931 . 1 1 93 93 ILE H H 1 9.190 0.01 . 1 . . . . 92 I NH . 15194 1 932 . 1 1 93 93 ILE HA H 1 4.550 0.01 . 1 . . . . 92 I HA . 15194 1 933 . 1 1 93 93 ILE HB H 1 1.694 0.01 . 1 . . . . 92 I HB . 15194 1 934 . 1 1 93 93 ILE HG21 H 1 0.684 0.01 . 1 . . . . 92 I HG2 . 15194 1 935 . 1 1 93 93 ILE HG22 H 1 0.684 0.01 . 1 . . . . 92 I HG2 . 15194 1 936 . 1 1 93 93 ILE HG23 H 1 0.684 0.01 . 1 . . . . 92 I HG2 . 15194 1 937 . 1 1 93 93 ILE HD11 H 1 0.432 0.01 . 1 . . . . 92 I HD1 . 15194 1 938 . 1 1 93 93 ILE HD12 H 1 0.432 0.01 . 1 . . . . 92 I HD1 . 15194 1 939 . 1 1 93 93 ILE HD13 H 1 0.432 0.01 . 1 . . . . 92 I HD1 . 15194 1 940 . 1 1 93 93 ILE C C 13 174.551 0.1 . 1 . . . . 92 I CO . 15194 1 941 . 1 1 93 93 ILE CA C 13 59.978 0.1 . 1 . . . . 92 I CA . 15194 1 942 . 1 1 93 93 ILE CB C 13 40.989 0.1 . 1 . . . . 92 I CB . 15194 1 943 . 1 1 93 93 ILE CG2 C 13 17.970 0.1 . 1 . . . . 92 I CG2 . 15194 1 944 . 1 1 93 93 ILE CD1 C 13 13.852 0.1 . 1 . . . . 92 I CD1 . 15194 1 945 . 1 1 93 93 ILE N N 15 127.325 0.1 . 1 . . . . 92 I N . 15194 1 946 . 1 1 94 94 ASP H H 1 8.985 0.01 . 1 . . . . 93 D NH . 15194 1 947 . 1 1 94 94 ASP HA H 1 5.025 0.01 . 1 . . . . 93 D HA . 15194 1 948 . 1 1 94 94 ASP HB2 H 1 2.410 0.01 . 1 . . . . 93 D HB . 15194 1 949 . 1 1 94 94 ASP HB3 H 1 2.410 0.01 . 1 . . . . 93 D HB . 15194 1 950 . 1 1 94 94 ASP C C 13 174.456 0.1 . 1 . . . . 93 D CO . 15194 1 951 . 1 1 94 94 ASP CA C 13 54.378 0.1 . 1 . . . . 93 D CA . 15194 1 952 . 1 1 94 94 ASP CB C 13 43.683 0.1 . 1 . . . . 93 D CB . 15194 1 953 . 1 1 94 94 ASP N N 15 126.988 0.1 . 1 . . . . 93 D N . 15194 1 954 . 1 1 95 95 ALA H H 1 8.514 0.01 . 1 . . . . 94 A NH . 15194 1 955 . 1 1 95 95 ALA HA H 1 4.504 0.01 . 1 . . . . 94 A HA . 15194 1 956 . 1 1 95 95 ALA HB1 H 1 0.669 0.01 . 1 . . . . 94 A HB . 15194 1 957 . 1 1 95 95 ALA HB2 H 1 0.669 0.01 . 1 . . . . 94 A HB . 15194 1 958 . 1 1 95 95 ALA HB3 H 1 0.669 0.01 . 1 . . . . 94 A HB . 15194 1 959 . 1 1 95 95 ALA C C 13 176.329 0.1 . 1 . . . . 94 A CO . 15194 1 960 . 1 1 95 95 ALA CA C 13 50.134 0.1 . 1 . . . . 94 A CA . 15194 1 961 . 1 1 95 95 ALA CB C 13 20.004 0.1 . 1 . . . . 94 A CB . 15194 1 962 . 1 1 95 95 ALA N N 15 126.112 0.1 . 1 . . . . 94 A N . 15194 1 963 . 1 1 96 96 MET H H 1 8.718 0.01 . 1 . . . . 95 M NH . 15194 1 964 . 1 1 96 96 MET HA H 1 4.590 0.01 . 1 . . . . 95 M HA . 15194 1 965 . 1 1 96 96 MET HB2 H 1 1.888 0.01 . 1 . . . . 95 M HB2 . 15194 1 966 . 1 1 96 96 MET HB3 H 1 1.748 0.01 . 1 . . . . 95 M HB3 . 15194 1 967 . 1 1 96 96 MET HG2 H 1 2.279 0.01 . 1 . . . . 95 M HG2 . 15194 1 968 . 1 1 96 96 MET HG3 H 1 2.279 0.01 . 1 . . . . 95 M HG3 . 15194 1 969 . 1 1 96 96 MET C C 13 174.773 0.1 . 1 . . . . 95 M CO . 15194 1 970 . 1 1 96 96 MET CA C 13 54.182 0.1 . 1 . . . . 95 M CA . 15194 1 971 . 1 1 96 96 MET CB C 13 33.904 0.1 . 1 . . . . 95 M CB . 15194 1 972 . 1 1 96 96 MET CG C 13 31.266 0.1 . 1 . . . . 95 M CG . 15194 1 973 . 1 1 96 96 MET N N 15 122.611 0.1 . 1 . . . . 95 M N . 15194 1 974 . 1 1 97 97 VAL H H 1 8.508 0.01 . 1 . . . . 96 V NH . 15194 1 975 . 1 1 97 97 VAL HA H 1 4.227 0.01 . 1 . . . . 96 V HA . 15194 1 976 . 1 1 97 97 VAL HB H 1 1.966 0.01 . 1 . . . . 96 V HB . 15194 1 977 . 1 1 97 97 VAL HG11 H 1 0.880 0.01 . 1 . . . . 96 V HG1 . 15194 1 978 . 1 1 97 97 VAL HG12 H 1 0.880 0.01 . 1 . . . . 96 V HG1 . 15194 1 979 . 1 1 97 97 VAL HG13 H 1 0.880 0.01 . 1 . . . . 96 V HG1 . 15194 1 980 . 1 1 97 97 VAL HG21 H 1 0.880 0.01 . 1 . . . . 96 V HG2 . 15194 1 981 . 1 1 97 97 VAL HG22 H 1 0.880 0.01 . 1 . . . . 96 V HG2 . 15194 1 982 . 1 1 97 97 VAL HG23 H 1 0.880 0.01 . 1 . . . . 96 V HG2 . 15194 1 983 . 1 1 97 97 VAL C C 13 176.226 0.1 . 1 . . . . 96 V CO . 15194 1 984 . 1 1 97 97 VAL CA C 13 62.427 0.1 . 1 . . . . 96 V CA . 15194 1 985 . 1 1 97 97 VAL CB C 13 32.668 0.1 . 1 . . . . 96 V CB . 15194 1 986 . 1 1 97 97 VAL CG1 C 13 20.689 0.1 . 1 . . . . 96 V CG1 . 15194 1 987 . 1 1 97 97 VAL CG2 C 13 20.689 0.1 . 1 . . . . 96 V CG2 . 15194 1 988 . 1 1 97 97 VAL N N 15 124.041 0.1 . 1 . . . . 96 V N . 15194 1 989 . 1 1 98 98 GLU H H 1 8.512 0.01 . 1 . . . . 97 E NH . 15194 1 990 . 1 1 98 98 GLU HA H 1 4.226 0.01 . 1 . . . . 97 E HA . 15194 1 991 . 1 1 98 98 GLU HB2 H 1 1.833 0.01 . 1 . . . . 97 E HB2 . 15194 1 992 . 1 1 98 98 GLU HB3 H 1 1.747 0.01 . 1 . . . . 97 E HB3 . 15194 1 993 . 1 1 98 98 GLU HG2 H 1 2.110 0.01 . 1 . . . . 97 E HG2 . 15194 1 994 . 1 1 98 98 GLU HG3 H 1 2.110 0.01 . 1 . . . . 97 E HG3 . 15194 1 995 . 1 1 98 98 GLU C C 13 176.096 0.1 . 1 . . . . 97 E CO . 15194 1 996 . 1 1 98 98 GLU CA C 13 56.410 0.1 . 1 . . . . 97 E CA . 15194 1 997 . 1 1 98 98 GLU CB C 13 30.538 0.1 . 1 . . . . 97 E CB . 15194 1 998 . 1 1 98 98 GLU CG C 13 35.526 0.1 . 1 . . . . 97 E CG . 15194 1 999 . 1 1 98 98 GLU N N 15 126.984 0.1 . 1 . . . . 97 E N . 15194 1 1000 . 1 1 99 99 GLN H H 1 8.658 0.01 . 1 . . . . 98 Q NH . 15194 1 1001 . 1 1 99 99 GLN HA H 1 4.345 0.01 . 1 . . . . 98 Q HA . 15194 1 1002 . 1 1 99 99 GLN HB2 H 1 2.056 0.01 . 1 . . . . 98 Q HB2 . 15194 1 1003 . 1 1 99 99 GLN HB3 H 1 1.905 0.01 . 1 . . . . 98 Q HB3 . 15194 1 1004 . 1 1 99 99 GLN HG2 H 1 2.286 0.01 . 1 . . . . 98 Q HG2 . 15194 1 1005 . 1 1 99 99 GLN HG3 H 1 2.286 0.01 . 1 . . . . 98 Q HG3 . 15194 1 1006 . 1 1 99 99 GLN HE21 H 1 7.565 0.01 . 1 . . . . 98 Q HE21 . 15194 1 1007 . 1 1 99 99 GLN HE22 H 1 6.894 0.01 . 1 . . . . 98 Q HE22 . 15194 1 1008 . 1 1 99 99 GLN C C 13 176.200 0.1 . 1 . . . . 98 Q CO . 15194 1 1009 . 1 1 99 99 GLN CA C 13 55.955 0.1 . 1 . . . . 98 Q CA . 15194 1 1010 . 1 1 99 99 GLN CB C 13 29.500 0.1 . 1 . . . . 98 Q CB . 15194 1 1011 . 1 1 99 99 GLN CG C 13 33.485 0.1 . 1 . . . . 98 Q CG . 15194 1 1012 . 1 1 99 99 GLN N N 15 122.873 0.1 . 1 . . . . 98 Q N . 15194 1 1013 . 1 1 99 99 GLN NE2 N 15 112.043 0.1 . 1 . . . . 98 Q NE . 15194 1 1014 . 1 1 100 100 THR H H 1 8.346 0.01 . 1 . . . . 99 T NH . 15194 1 1015 . 1 1 100 100 THR HA H 1 4.276 0.01 . 1 . . . . 99 T HA . 15194 1 1016 . 1 1 100 100 THR HB H 1 4.165 0.01 . 1 . . . . 99 T HB . 15194 1 1017 . 1 1 100 100 THR HG21 H 1 1.103 0.01 . 1 . . . . 99 T HG2 . 15194 1 1018 . 1 1 100 100 THR HG22 H 1 1.103 0.01 . 1 . . . . 99 T HG2 . 15194 1 1019 . 1 1 100 100 THR HG23 H 1 1.103 0.01 . 1 . . . . 99 T HG2 . 15194 1 1020 . 1 1 100 100 THR C C 13 175.271 0.1 . 1 . . . . 99 T CO . 15194 1 1021 . 1 1 100 100 THR CA C 13 62.138 0.1 . 1 . . . . 99 T CA . 15194 1 1022 . 1 1 100 100 THR CB C 13 69.917 0.1 . 1 . . . . 99 T CB . 15194 1 1023 . 1 1 100 100 THR CG2 C 13 20.987 0.1 . 1 . . . . 99 T CG . 15194 1 1024 . 1 1 100 100 THR N N 15 115.371 0.1 . 1 . . . . 99 T N . 15194 1 1025 . 1 1 101 101 GLY H H 1 8.560 0.01 . 1 . . . . 100 G NH . 15194 1 1026 . 1 1 101 101 GLY HA2 H 1 3.896 0.01 . 1 . . . . 100 G HA2 . 15194 1 1027 . 1 1 101 101 GLY HA3 H 1 3.697 0.01 . 1 . . . . 100 G HA3 . 15194 1 1028 . 1 1 101 101 GLY C C 13 174.740 0.1 . 1 . . . . 100 G CO . 15194 1 1029 . 1 1 101 101 GLY CA C 13 45.557 0.1 . 1 . . . . 100 G CA . 15194 1 1030 . 1 1 101 101 GLY N N 15 111.328 0.1 . 1 . . . . 100 G N . 15194 1 1031 . 1 1 102 102 GLY H H 1 8.294 0.01 . 1 . . . . 101 G NH . 15194 1 1032 . 1 1 102 102 GLY HA2 H 1 3.882 0.01 . 1 . . . . 101 G HA2 . 15194 1 1033 . 1 1 102 102 GLY HA3 H 1 3.882 0.01 . 1 . . . . 101 G HA3 . 15194 1 1034 . 1 1 102 102 GLY C C 13 174.337 0.1 . 1 . . . . 101 G CO . 15194 1 1035 . 1 1 102 102 GLY CA C 13 45.324 0.1 . 1 . . . . 101 G CA . 15194 1 1036 . 1 1 102 102 GLY N N 15 108.753 0.1 . 1 . . . . 101 G N . 15194 1 stop_ save_