data_36059 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36059 _Entry.Title ; Solution structure of musashi1 RBD2 in complex with RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-09 _Entry.Accession_date 2017-05-19 _Entry.Last_release_date 2017-05-19 _Entry.Original_release_date 2017-05-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 R. Iwaoka R. . . . 36059 2 T. Nagata T. . . . 36059 3 K. Tsuda K. . . . 36059 4 T. Imai T. . . . 36059 5 H. Okano H. . . . 36059 6 N. Kobayashi N. . . . 36059 7 M. Katahira M. . . . 36059 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RBD . 36059 'RNA BINDING PROTEIN-RNA complex' . 36059 'RNA-binding protein' . 36059 RRM . 36059 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36059 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 416 36059 '15N chemical shifts' 98 36059 '1H chemical shifts' 614 36059 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-12-11 . original BMRB . 36059 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5X3Z 'BMRB Entry Tracking System' 36059 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36059 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of musashi1 RBD2 in complex with RNA ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Iwaoka R. . . . 36059 1 2 T. Nagata T. . . . 36059 1 3 K. Tsuda K. . . . 36059 1 4 T. Imai T. . . . 36059 1 5 H. Okano H. . . . 36059 1 6 N. Kobayashi N. . . . 36059 1 7 M. Katahira M. . . . 36059 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36059 _Assembly.ID 1 _Assembly.Name 'RNA-binding protein Musashi homolog 1/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 entity_1 1 $entity_1 A A yes . . . . . . 36059 1 2 entity_2 2 $entity_2 B B no . . . . . . 36059 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36059 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMKKIFVGGLSVNTTVED VKHYFEQFGKVDDAMLMFDK TTNRHRGFGFVTFESEDIVE KVCEIHFHEINNKMVECKKA QPKEVMSPTGSARGRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 109-200' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10945.506 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Musashi-1 na 36059 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 36059 1 2 . SER . 36059 1 3 107 HIS . 36059 1 4 108 MET . 36059 1 5 109 LYS . 36059 1 6 110 LYS . 36059 1 7 111 ILE . 36059 1 8 112 PHE . 36059 1 9 113 VAL . 36059 1 10 114 GLY . 36059 1 11 115 GLY . 36059 1 12 116 LEU . 36059 1 13 117 SER . 36059 1 14 118 VAL . 36059 1 15 119 ASN . 36059 1 16 120 THR . 36059 1 17 121 THR . 36059 1 18 122 VAL . 36059 1 19 123 GLU . 36059 1 20 124 ASP . 36059 1 21 125 VAL . 36059 1 22 126 LYS . 36059 1 23 127 HIS . 36059 1 24 128 TYR . 36059 1 25 129 PHE . 36059 1 26 130 GLU . 36059 1 27 131 GLN . 36059 1 28 132 PHE . 36059 1 29 133 GLY . 36059 1 30 134 LYS . 36059 1 31 135 VAL . 36059 1 32 136 ASP . 36059 1 33 137 ASP . 36059 1 34 138 ALA . 36059 1 35 139 MET . 36059 1 36 140 LEU . 36059 1 37 141 MET . 36059 1 38 142 PHE . 36059 1 39 143 ASP . 36059 1 40 144 LYS . 36059 1 41 145 THR . 36059 1 42 146 THR . 36059 1 43 147 ASN . 36059 1 44 148 ARG . 36059 1 45 149 HIS . 36059 1 46 150 ARG . 36059 1 47 151 GLY . 36059 1 48 152 PHE . 36059 1 49 153 GLY . 36059 1 50 154 PHE . 36059 1 51 155 VAL . 36059 1 52 156 THR . 36059 1 53 157 PHE . 36059 1 54 158 GLU . 36059 1 55 159 SER . 36059 1 56 160 GLU . 36059 1 57 161 ASP . 36059 1 58 162 ILE . 36059 1 59 163 VAL . 36059 1 60 164 GLU . 36059 1 61 165 LYS . 36059 1 62 166 VAL . 36059 1 63 167 CYS . 36059 1 64 168 GLU . 36059 1 65 169 ILE . 36059 1 66 170 HIS . 36059 1 67 171 PHE . 36059 1 68 172 HIS . 36059 1 69 173 GLU . 36059 1 70 174 ILE . 36059 1 71 175 ASN . 36059 1 72 176 ASN . 36059 1 73 177 LYS . 36059 1 74 178 MET . 36059 1 75 179 VAL . 36059 1 76 180 GLU . 36059 1 77 181 CYS . 36059 1 78 182 LYS . 36059 1 79 183 LYS . 36059 1 80 184 ALA . 36059 1 81 185 GLN . 36059 1 82 186 PRO . 36059 1 83 187 LYS . 36059 1 84 188 GLU . 36059 1 85 189 VAL . 36059 1 86 190 MET . 36059 1 87 191 SER . 36059 1 88 192 PRO . 36059 1 89 193 THR . 36059 1 90 194 GLY . 36059 1 91 195 SER . 36059 1 92 196 ALA . 36059 1 93 197 ARG . 36059 1 94 198 GLY . 36059 1 95 199 ARG . 36059 1 96 200 SER . 36059 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 36059 1 . SER 2 2 36059 1 . HIS 3 3 36059 1 . MET 4 4 36059 1 . LYS 5 5 36059 1 . LYS 6 6 36059 1 . ILE 7 7 36059 1 . PHE 8 8 36059 1 . VAL 9 9 36059 1 . GLY 10 10 36059 1 . GLY 11 11 36059 1 . LEU 12 12 36059 1 . SER 13 13 36059 1 . VAL 14 14 36059 1 . ASN 15 15 36059 1 . THR 16 16 36059 1 . THR 17 17 36059 1 . VAL 18 18 36059 1 . GLU 19 19 36059 1 . ASP 20 20 36059 1 . VAL 21 21 36059 1 . LYS 22 22 36059 1 . HIS 23 23 36059 1 . TYR 24 24 36059 1 . PHE 25 25 36059 1 . GLU 26 26 36059 1 . GLN 27 27 36059 1 . PHE 28 28 36059 1 . GLY 29 29 36059 1 . LYS 30 30 36059 1 . VAL 31 31 36059 1 . ASP 32 32 36059 1 . ASP 33 33 36059 1 . ALA 34 34 36059 1 . MET 35 35 36059 1 . LEU 36 36 36059 1 . MET 37 37 36059 1 . PHE 38 38 36059 1 . ASP 39 39 36059 1 . LYS 40 40 36059 1 . THR 41 41 36059 1 . THR 42 42 36059 1 . ASN 43 43 36059 1 . ARG 44 44 36059 1 . HIS 45 45 36059 1 . ARG 46 46 36059 1 . GLY 47 47 36059 1 . PHE 48 48 36059 1 . GLY 49 49 36059 1 . PHE 50 50 36059 1 . VAL 51 51 36059 1 . THR 52 52 36059 1 . PHE 53 53 36059 1 . GLU 54 54 36059 1 . SER 55 55 36059 1 . GLU 56 56 36059 1 . ASP 57 57 36059 1 . ILE 58 58 36059 1 . VAL 59 59 36059 1 . GLU 60 60 36059 1 . LYS 61 61 36059 1 . VAL 62 62 36059 1 . CYS 63 63 36059 1 . GLU 64 64 36059 1 . ILE 65 65 36059 1 . HIS 66 66 36059 1 . PHE 67 67 36059 1 . HIS 68 68 36059 1 . GLU 69 69 36059 1 . ILE 70 70 36059 1 . ASN 71 71 36059 1 . ASN 72 72 36059 1 . LYS 73 73 36059 1 . MET 74 74 36059 1 . VAL 75 75 36059 1 . GLU 76 76 36059 1 . CYS 77 77 36059 1 . LYS 78 78 36059 1 . LYS 79 79 36059 1 . ALA 80 80 36059 1 . GLN 81 81 36059 1 . PRO 82 82 36059 1 . LYS 83 83 36059 1 . GLU 84 84 36059 1 . VAL 85 85 36059 1 . MET 86 86 36059 1 . SER 87 87 36059 1 . PRO 88 88 36059 1 . THR 89 89 36059 1 . GLY 90 90 36059 1 . SER 91 91 36059 1 . ALA 92 92 36059 1 . ARG 93 93 36059 1 . GLY 94 94 36059 1 . ARG 95 95 36059 1 . SER 96 96 36059 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 36059 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GUAGU ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1586.992 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 36059 2 2 . U . 36059 2 3 . A . 36059 2 4 . G . 36059 2 5 . U . 36059 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 36059 2 . U 2 2 36059 2 . A 3 3 36059 2 . G 4 4 36059 2 . U 5 5 36059 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36059 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Msi1, Msi1h' . 36059 1 2 2 $entity_2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 36059 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 36059 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . VECTOR . . pET15b . . . 36059 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 36059 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36059 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-100% 13C; U-100% 15N] Msi1 RBD2, 300 uM RNA (5'-R(*GP*UP*AP*GP*U)-3'), 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Msi1 RBD2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . protein 300 . . uM . . . . 36059 1 2 "RNA (5'-R(*GP*UP*AP*GP*U)-3')" 'natural abundance' . . 2 $entity_2 . RNA 300 . . uM . . . . 36059 1 3 MES 'natural abundance' . . . . . buffer 20 . . mM . . . . 36059 1 4 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36059 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36059 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36059 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 36059 _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 36059 1 pH 6.0 . pH 36059 1 pressure 1 . atm 36059 1 temperature 298 . K 36059 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36059 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36059 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36059 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36059 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36059 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36059 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36059 _Software.ID 3 _Software.Type . _Software.Name MagRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kobayashi . . 36059 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36059 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36059 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36059 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36059 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36059 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36059 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36059 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36059 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36059 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 36059 _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 NMR_spectrometer_1 Bruker DRX . 600 . . . 36059 1 2 NMR_spectrometer_2 Bruker AvanceIII . 950 . . . 36059 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 36059 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36059 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36059 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36059 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.251449530 . . . . . 36059 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 36059 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.101329118 . . . . . 36059 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36059 _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 $chem_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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36059 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36059 1 3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36059 1 4 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36059 1 5 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36059 1 6 '3D HNCO' 1 $sample_1 isotropic 36059 1 7 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36059 1 8 '3D HNCACB' 1 $sample_1 isotropic 36059 1 9 '3D HNCA' 1 $sample_1 isotropic 36059 1 10 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36059 1 11 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36059 1 12 '3D HCCH-COSY' 1 $sample_1 isotropic 36059 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.Ambiguity_set_ID _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 3 3 HIS C C 13 175.111 0.300 . 1 . . . . A 107 HIS C . 36059 1 2 . 1 1 3 3 HIS CA C 13 56.398 0.300 . 1 . . . . A 107 HIS CA . 36059 1 3 . 1 1 3 3 HIS CB C 13 29.575 0.300 . 1 . . . . A 107 HIS CB . 36059 1 4 . 1 1 4 4 MET H H 1 8.450 0.030 . 1 . . . . A 108 MET H . 36059 1 5 . 1 1 4 4 MET C C 13 175.865 0.300 . 1 . . . . A 108 MET C . 36059 1 6 . 1 1 4 4 MET CA C 13 56.235 0.300 . 1 . . . . A 108 MET CA . 36059 1 7 . 1 1 4 4 MET CB C 13 32.601 0.300 . 1 . . . . A 108 MET CB . 36059 1 8 . 1 1 4 4 MET N N 15 120.741 0.300 . 1 . . . . A 108 MET N . 36059 1 9 . 1 1 5 5 LYS H H 1 8.446 0.030 . 1 . . . . A 109 LYS H . 36059 1 10 . 1 1 5 5 LYS HA H 1 4.386 0.030 . 1 . . . . A 109 LYS HA . 36059 1 11 . 1 1 5 5 LYS HB2 H 1 2.493 0.030 . 2 . . . . A 109 LYS HB2 . 36059 1 12 . 1 1 5 5 LYS HB3 H 1 1.652 0.030 . 2 . . . . A 109 LYS HB3 . 36059 1 13 . 1 1 5 5 LYS HG2 H 1 1.392 0.030 . 2 . . . . A 109 LYS HG2 . 36059 1 14 . 1 1 5 5 LYS HG3 H 1 1.072 0.030 . 2 . . . . A 109 LYS HG3 . 36059 1 15 . 1 1 5 5 LYS HD2 H 1 1.696 0.030 . 1 . . . . A 109 LYS HD2 . 36059 1 16 . 1 1 5 5 LYS HD3 H 1 1.696 0.030 . 1 . . . . A 109 LYS HD3 . 36059 1 17 . 1 1 5 5 LYS HE2 H 1 2.992 0.030 . 1 . . . . A 109 LYS HE2 . 36059 1 18 . 1 1 5 5 LYS HE3 H 1 2.992 0.030 . 1 . . . . A 109 LYS HE3 . 36059 1 19 . 1 1 5 5 LYS C C 13 173.566 0.300 . 1 . . . . A 109 LYS C . 36059 1 20 . 1 1 5 5 LYS CA C 13 56.771 0.300 . 1 . . . . A 109 LYS CA . 36059 1 21 . 1 1 5 5 LYS CB C 13 32.546 0.300 . 1 . . . . A 109 LYS CB . 36059 1 22 . 1 1 5 5 LYS CG C 13 26.486 0.300 . 1 . . . . A 109 LYS CG . 36059 1 23 . 1 1 5 5 LYS CD C 13 29.530 0.300 . 1 . . . . A 109 LYS CD . 36059 1 24 . 1 1 5 5 LYS CE C 13 42.123 0.300 . 1 . . . . A 109 LYS CE . 36059 1 25 . 1 1 5 5 LYS N N 15 118.768 0.300 . 1 . . . . A 109 LYS N . 36059 1 26 . 1 1 6 6 LYS H H 1 7.434 0.030 . 1 . . . . A 110 LYS H . 36059 1 27 . 1 1 6 6 LYS HA H 1 5.469 0.030 . 1 . . . . A 110 LYS HA . 36059 1 28 . 1 1 6 6 LYS HB2 H 1 1.843 0.030 . 2 . . . . A 110 LYS HB2 . 36059 1 29 . 1 1 6 6 LYS HB3 H 1 1.590 0.030 . 2 . . . . A 110 LYS HB3 . 36059 1 30 . 1 1 6 6 LYS HG2 H 1 1.186 0.030 . 1 . . . . A 110 LYS HG2 . 36059 1 31 . 1 1 6 6 LYS HG3 H 1 1.186 0.030 . 1 . . . . A 110 LYS HG3 . 36059 1 32 . 1 1 6 6 LYS HD2 H 1 1.493 0.030 . 2 . . . . A 110 LYS HD2 . 36059 1 33 . 1 1 6 6 LYS HD3 H 1 1.441 0.030 . 2 . . . . A 110 LYS HD3 . 36059 1 34 . 1 1 6 6 LYS HE2 H 1 2.584 0.030 . 1 . . . . A 110 LYS HE2 . 36059 1 35 . 1 1 6 6 LYS HE3 H 1 2.584 0.030 . 1 . . . . A 110 LYS HE3 . 36059 1 36 . 1 1 6 6 LYS C C 13 175.675 0.300 . 1 . . . . A 110 LYS C . 36059 1 37 . 1 1 6 6 LYS CA C 13 54.720 0.300 . 1 . . . . A 110 LYS CA . 36059 1 38 . 1 1 6 6 LYS CB C 13 37.717 0.300 . 1 . . . . A 110 LYS CB . 36059 1 39 . 1 1 6 6 LYS CG C 13 24.858 0.300 . 1 . . . . A 110 LYS CG . 36059 1 40 . 1 1 6 6 LYS CD C 13 30.441 0.300 . 1 . . . . A 110 LYS CD . 36059 1 41 . 1 1 6 6 LYS CE C 13 41.411 0.300 . 1 . . . . A 110 LYS CE . 36059 1 42 . 1 1 6 6 LYS N N 15 121.057 0.300 . 1 . . . . A 110 LYS N . 36059 1 43 . 1 1 7 7 ILE H H 1 9.247 0.030 . 1 . . . . A 111 ILE H . 36059 1 44 . 1 1 7 7 ILE HA H 1 4.986 0.030 . 1 . . . . A 111 ILE HA . 36059 1 45 . 1 1 7 7 ILE HB H 1 1.794 0.030 . 1 . . . . A 111 ILE HB . 36059 1 46 . 1 1 7 7 ILE HG12 H 1 1.187 0.030 . 2 . . . . A 111 ILE HG12 . 36059 1 47 . 1 1 7 7 ILE HG13 H 1 0.947 0.030 . 2 . . . . A 111 ILE HG13 . 36059 1 48 . 1 1 7 7 ILE HG21 H 1 0.706 0.030 . 1 . . . . A 111 ILE HG21 . 36059 1 49 . 1 1 7 7 ILE HG22 H 1 0.706 0.030 . 1 . . . . A 111 ILE HG22 . 36059 1 50 . 1 1 7 7 ILE HG23 H 1 0.706 0.030 . 1 . . . . A 111 ILE HG23 . 36059 1 51 . 1 1 7 7 ILE HD11 H 1 0.142 0.030 . 1 . . . . A 111 ILE HD11 . 36059 1 52 . 1 1 7 7 ILE HD12 H 1 0.142 0.030 . 1 . . . . A 111 ILE HD12 . 36059 1 53 . 1 1 7 7 ILE HD13 H 1 0.142 0.030 . 1 . . . . A 111 ILE HD13 . 36059 1 54 . 1 1 7 7 ILE C C 13 174.442 0.300 . 1 . . . . A 111 ILE C . 36059 1 55 . 1 1 7 7 ILE CA C 13 59.230 0.300 . 1 . . . . A 111 ILE CA . 36059 1 56 . 1 1 7 7 ILE CB C 13 40.600 0.300 . 1 . . . . A 111 ILE CB . 36059 1 57 . 1 1 7 7 ILE CG1 C 13 26.177 0.300 . 1 . . . . A 111 ILE CG1 . 36059 1 58 . 1 1 7 7 ILE CG2 C 13 20.174 0.300 . 1 . . . . A 111 ILE CG2 . 36059 1 59 . 1 1 7 7 ILE CD1 C 13 14.759 0.300 . 1 . . . . A 111 ILE CD1 . 36059 1 60 . 1 1 7 7 ILE N N 15 117.678 0.300 . 1 . . . . A 111 ILE N . 36059 1 61 . 1 1 8 8 PHE H H 1 9.187 0.030 . 1 . . . . A 112 PHE H . 36059 1 62 . 1 1 8 8 PHE HA H 1 4.279 0.030 . 1 . . . . A 112 PHE HA . 36059 1 63 . 1 1 8 8 PHE HB2 H 1 2.520 0.030 . 2 . . . . A 112 PHE HB2 . 36059 1 64 . 1 1 8 8 PHE HB3 H 1 2.185 0.030 . 2 . . . . A 112 PHE HB3 . 36059 1 65 . 1 1 8 8 PHE HD1 H 1 6.041 0.030 . 1 . . . . A 112 PHE HD1 . 36059 1 66 . 1 1 8 8 PHE HD2 H 1 6.041 0.030 . 1 . . . . A 112 PHE HD2 . 36059 1 67 . 1 1 8 8 PHE HE1 H 1 6.458 0.030 . 1 . . . . A 112 PHE HE1 . 36059 1 68 . 1 1 8 8 PHE HE2 H 1 6.458 0.030 . 1 . . . . A 112 PHE HE2 . 36059 1 69 . 1 1 8 8 PHE C C 13 173.472 0.300 . 1 . . . . A 112 PHE C . 36059 1 70 . 1 1 8 8 PHE CA C 13 56.328 0.300 . 1 . . . . A 112 PHE CA . 36059 1 71 . 1 1 8 8 PHE CB C 13 41.280 0.300 . 1 . . . . A 112 PHE CB . 36059 1 72 . 1 1 8 8 PHE CD1 C 13 130.219 0.300 . 1 . . . . A 112 PHE CD1 . 36059 1 73 . 1 1 8 8 PHE CD2 C 13 130.219 0.300 . 1 . . . . A 112 PHE CD2 . 36059 1 74 . 1 1 8 8 PHE CE1 C 13 128.145 0.300 . 1 . . . . A 112 PHE CE1 . 36059 1 75 . 1 1 8 8 PHE CE2 C 13 128.145 0.300 . 1 . . . . A 112 PHE CE2 . 36059 1 76 . 1 1 8 8 PHE N N 15 124.521 0.300 . 1 . . . . A 112 PHE N . 36059 1 77 . 1 1 9 9 VAL H H 1 7.550 0.030 . 1 . . . . A 113 VAL H . 36059 1 78 . 1 1 9 9 VAL HA H 1 4.753 0.030 . 1 . . . . A 113 VAL HA . 36059 1 79 . 1 1 9 9 VAL HB H 1 1.322 0.030 . 1 . . . . A 113 VAL HB . 36059 1 80 . 1 1 9 9 VAL HG11 H 1 0.518 0.030 . 2 . . . . A 113 VAL HG11 . 36059 1 81 . 1 1 9 9 VAL HG12 H 1 0.518 0.030 . 2 . . . . A 113 VAL HG12 . 36059 1 82 . 1 1 9 9 VAL HG13 H 1 0.518 0.030 . 2 . . . . A 113 VAL HG13 . 36059 1 83 . 1 1 9 9 VAL HG21 H 1 0.460 0.030 . 2 . . . . A 113 VAL HG21 . 36059 1 84 . 1 1 9 9 VAL HG22 H 1 0.460 0.030 . 2 . . . . A 113 VAL HG22 . 36059 1 85 . 1 1 9 9 VAL HG23 H 1 0.460 0.030 . 2 . . . . A 113 VAL HG23 . 36059 1 86 . 1 1 9 9 VAL C C 13 173.454 0.300 . 1 . . . . A 113 VAL C . 36059 1 87 . 1 1 9 9 VAL CA C 13 58.948 0.300 . 1 . . . . A 113 VAL CA . 36059 1 88 . 1 1 9 9 VAL CB C 13 33.315 0.300 . 1 . . . . A 113 VAL CB . 36059 1 89 . 1 1 9 9 VAL CG1 C 13 21.164 0.300 . 2 . . . . A 113 VAL CG1 . 36059 1 90 . 1 1 9 9 VAL CG2 C 13 20.903 0.300 . 2 . . . . A 113 VAL CG2 . 36059 1 91 . 1 1 9 9 VAL N N 15 125.741 0.300 . 1 . . . . A 113 VAL N . 36059 1 92 . 1 1 10 10 GLY H H 1 8.808 0.030 . 1 . . . . A 114 GLY H . 36059 1 93 . 1 1 10 10 GLY HA2 H 1 3.150 0.030 . 2 . . . . A 114 GLY HA2 . 36059 1 94 . 1 1 10 10 GLY HA3 H 1 4.470 0.030 . 2 . . . . A 114 GLY HA3 . 36059 1 95 . 1 1 10 10 GLY C C 13 171.823 0.300 . 1 . . . . A 114 GLY C . 36059 1 96 . 1 1 10 10 GLY CA C 13 44.180 0.300 . 1 . . . . A 114 GLY CA . 36059 1 97 . 1 1 10 10 GLY N N 15 110.286 0.300 . 1 . . . . A 114 GLY N . 36059 1 98 . 1 1 11 11 GLY H H 1 7.888 0.030 . 1 . . . . A 115 GLY H . 36059 1 99 . 1 1 11 11 GLY HA2 H 1 4.053 0.030 . 2 . . . . A 115 GLY HA2 . 36059 1 100 . 1 1 11 11 GLY HA3 H 1 4.222 0.030 . 2 . . . . A 115 GLY HA3 . 36059 1 101 . 1 1 11 11 GLY C C 13 174.979 0.300 . 1 . . . . A 115 GLY C . 36059 1 102 . 1 1 11 11 GLY CA C 13 45.840 0.300 . 1 . . . . A 115 GLY CA . 36059 1 103 . 1 1 11 11 GLY N N 15 110.327 0.300 . 1 . . . . A 115 GLY N . 36059 1 104 . 1 1 12 12 LEU H H 1 7.472 0.030 . 1 . . . . A 116 LEU H . 36059 1 105 . 1 1 12 12 LEU HA H 1 4.027 0.030 . 1 . . . . A 116 LEU HA . 36059 1 106 . 1 1 12 12 LEU HB2 H 1 0.996 0.030 . 2 . . . . A 116 LEU HB2 . 36059 1 107 . 1 1 12 12 LEU HB3 H 1 0.888 0.030 . 2 . . . . A 116 LEU HB3 . 36059 1 108 . 1 1 12 12 LEU HG H 1 1.122 0.030 . 1 . . . . A 116 LEU HG . 36059 1 109 . 1 1 12 12 LEU HD11 H 1 0.508 0.030 . 2 . . . . A 116 LEU HD11 . 36059 1 110 . 1 1 12 12 LEU HD12 H 1 0.508 0.030 . 2 . . . . A 116 LEU HD12 . 36059 1 111 . 1 1 12 12 LEU HD13 H 1 0.508 0.030 . 2 . . . . A 116 LEU HD13 . 36059 1 112 . 1 1 12 12 LEU HD21 H 1 0.084 0.030 . 2 . . . . A 116 LEU HD21 . 36059 1 113 . 1 1 12 12 LEU HD22 H 1 0.084 0.030 . 2 . . . . A 116 LEU HD22 . 36059 1 114 . 1 1 12 12 LEU HD23 H 1 0.084 0.030 . 2 . . . . A 116 LEU HD23 . 36059 1 115 . 1 1 12 12 LEU C C 13 178.061 0.300 . 1 . . . . A 116 LEU C . 36059 1 116 . 1 1 12 12 LEU CA C 13 54.286 0.300 . 1 . . . . A 116 LEU CA . 36059 1 117 . 1 1 12 12 LEU CB C 13 43.328 0.300 . 1 . . . . A 116 LEU CB . 36059 1 118 . 1 1 12 12 LEU CG C 13 26.719 0.300 . 1 . . . . A 116 LEU CG . 36059 1 119 . 1 1 12 12 LEU CD1 C 13 24.238 0.300 . 2 . . . . A 116 LEU CD1 . 36059 1 120 . 1 1 12 12 LEU CD2 C 13 26.763 0.300 . 2 . . . . A 116 LEU CD2 . 36059 1 121 . 1 1 12 12 LEU N N 15 118.100 0.300 . 1 . . . . A 116 LEU N . 36059 1 122 . 1 1 13 13 SER H H 1 8.895 0.030 . 1 . . . . A 117 SER H . 36059 1 123 . 1 1 13 13 SER HA H 1 4.411 0.030 . 1 . . . . A 117 SER HA . 36059 1 124 . 1 1 13 13 SER HB2 H 1 3.860 0.030 . 2 . . . . A 117 SER HB2 . 36059 1 125 . 1 1 13 13 SER HB3 H 1 4.283 0.030 . 2 . . . . A 117 SER HB3 . 36059 1 126 . 1 1 13 13 SER C C 13 176.458 0.300 . 1 . . . . A 117 SER C . 36059 1 127 . 1 1 13 13 SER CA C 13 57.507 0.300 . 1 . . . . A 117 SER CA . 36059 1 128 . 1 1 13 13 SER CB C 13 64.582 0.300 . 1 . . . . A 117 SER CB . 36059 1 129 . 1 1 13 13 SER N N 15 119.054 0.300 . 1 . . . . A 117 SER N . 36059 1 130 . 1 1 14 14 VAL H H 1 8.816 0.030 . 1 . . . . A 118 VAL H . 36059 1 131 . 1 1 14 14 VAL HA H 1 3.492 0.030 . 1 . . . . A 118 VAL HA . 36059 1 132 . 1 1 14 14 VAL HB H 1 2.036 0.030 . 1 . . . . A 118 VAL HB . 36059 1 133 . 1 1 14 14 VAL HG11 H 1 0.911 0.030 . 2 . . . . A 118 VAL HG11 . 36059 1 134 . 1 1 14 14 VAL HG12 H 1 0.911 0.030 . 2 . . . . A 118 VAL HG12 . 36059 1 135 . 1 1 14 14 VAL HG13 H 1 0.911 0.030 . 2 . . . . A 118 VAL HG13 . 36059 1 136 . 1 1 14 14 VAL HG21 H 1 0.922 0.030 . 2 . . . . A 118 VAL HG21 . 36059 1 137 . 1 1 14 14 VAL HG22 H 1 0.922 0.030 . 2 . . . . A 118 VAL HG22 . 36059 1 138 . 1 1 14 14 VAL HG23 H 1 0.922 0.030 . 2 . . . . A 118 VAL HG23 . 36059 1 139 . 1 1 14 14 VAL C C 13 175.741 0.300 . 1 . . . . A 118 VAL C . 36059 1 140 . 1 1 14 14 VAL CA C 13 65.193 0.300 . 1 . . . . A 118 VAL CA . 36059 1 141 . 1 1 14 14 VAL CB C 13 31.600 0.300 . 1 . . . . A 118 VAL CB . 36059 1 142 . 1 1 14 14 VAL CG1 C 13 20.051 0.300 . 2 . . . . A 118 VAL CG1 . 36059 1 143 . 1 1 14 14 VAL CG2 C 13 21.183 0.300 . 2 . . . . A 118 VAL CG2 . 36059 1 144 . 1 1 14 14 VAL N N 15 122.146 0.300 . 1 . . . . A 118 VAL N . 36059 1 145 . 1 1 15 15 ASN H H 1 7.920 0.030 . 1 . . . . A 119 ASN H . 36059 1 146 . 1 1 15 15 ASN HA H 1 4.758 0.030 . 1 . . . . A 119 ASN HA . 36059 1 147 . 1 1 15 15 ASN HB2 H 1 2.853 0.030 . 2 . . . . A 119 ASN HB2 . 36059 1 148 . 1 1 15 15 ASN HB3 H 1 2.796 0.030 . 2 . . . . A 119 ASN HB3 . 36059 1 149 . 1 1 15 15 ASN HD21 H 1 7.651 0.030 . 2 . . . . A 119 ASN HD21 . 36059 1 150 . 1 1 15 15 ASN HD22 H 1 6.978 0.030 . 2 . . . . A 119 ASN HD22 . 36059 1 151 . 1 1 15 15 ASN C C 13 175.080 0.300 . 1 . . . . A 119 ASN C . 36059 1 152 . 1 1 15 15 ASN CA C 13 53.099 0.300 . 1 . . . . A 119 ASN CA . 36059 1 153 . 1 1 15 15 ASN CB C 13 38.033 0.300 . 1 . . . . A 119 ASN CB . 36059 1 154 . 1 1 15 15 ASN N N 15 114.802 0.300 . 1 . . . . A 119 ASN N . 36059 1 155 . 1 1 15 15 ASN ND2 N 15 113.493 0.300 . 1 . . . . A 119 ASN ND2 . 36059 1 156 . 1 1 16 16 THR H H 1 7.681 0.030 . 1 . . . . A 120 THR H . 36059 1 157 . 1 1 16 16 THR HA H 1 4.137 0.030 . 1 . . . . A 120 THR HA . 36059 1 158 . 1 1 16 16 THR HB H 1 4.098 0.030 . 1 . . . . A 120 THR HB . 36059 1 159 . 1 1 16 16 THR HG21 H 1 1.115 0.030 . 1 . . . . A 120 THR HG21 . 36059 1 160 . 1 1 16 16 THR HG22 H 1 1.115 0.030 . 1 . . . . A 120 THR HG22 . 36059 1 161 . 1 1 16 16 THR HG23 H 1 1.115 0.030 . 1 . . . . A 120 THR HG23 . 36059 1 162 . 1 1 16 16 THR C C 13 173.359 0.300 . 1 . . . . A 120 THR C . 36059 1 163 . 1 1 16 16 THR CA C 13 64.353 0.300 . 1 . . . . A 120 THR CA . 36059 1 164 . 1 1 16 16 THR CB C 13 69.271 0.300 . 1 . . . . A 120 THR CB . 36059 1 165 . 1 1 16 16 THR CG2 C 13 22.794 0.300 . 1 . . . . A 120 THR CG2 . 36059 1 166 . 1 1 16 16 THR N N 15 118.474 0.300 . 1 . . . . A 120 THR N . 36059 1 167 . 1 1 17 17 THR H H 1 8.630 0.030 . 1 . . . . A 121 THR H . 36059 1 168 . 1 1 17 17 THR HA H 1 4.669 0.030 . 1 . . . . A 121 THR HA . 36059 1 169 . 1 1 17 17 THR HB H 1 4.881 0.030 . 1 . . . . A 121 THR HB . 36059 1 170 . 1 1 17 17 THR HG21 H 1 1.292 0.030 . 1 . . . . A 121 THR HG21 . 36059 1 171 . 1 1 17 17 THR HG22 H 1 1.292 0.030 . 1 . . . . A 121 THR HG22 . 36059 1 172 . 1 1 17 17 THR HG23 H 1 1.292 0.030 . 1 . . . . A 121 THR HG23 . 36059 1 173 . 1 1 17 17 THR C C 13 176.107 0.300 . 1 . . . . A 121 THR C . 36059 1 174 . 1 1 17 17 THR CA C 13 59.495 0.300 . 1 . . . . A 121 THR CA . 36059 1 175 . 1 1 17 17 THR CB C 13 72.731 0.300 . 1 . . . . A 121 THR CB . 36059 1 176 . 1 1 17 17 THR CG2 C 13 21.543 0.300 . 1 . . . . A 121 THR CG2 . 36059 1 177 . 1 1 17 17 THR N N 15 117.353 0.300 . 1 . . . . A 121 THR N . 36059 1 178 . 1 1 18 18 VAL H H 1 9.238 0.030 . 1 . . . . A 122 VAL H . 36059 1 179 . 1 1 18 18 VAL HA H 1 3.487 0.030 . 1 . . . . A 122 VAL HA . 36059 1 180 . 1 1 18 18 VAL HB H 1 2.028 0.030 . 1 . . . . A 122 VAL HB . 36059 1 181 . 1 1 18 18 VAL HG11 H 1 0.890 0.030 . 2 . . . . A 122 VAL HG11 . 36059 1 182 . 1 1 18 18 VAL HG12 H 1 0.890 0.030 . 2 . . . . A 122 VAL HG12 . 36059 1 183 . 1 1 18 18 VAL HG13 H 1 0.890 0.030 . 2 . . . . A 122 VAL HG13 . 36059 1 184 . 1 1 18 18 VAL HG21 H 1 0.969 0.030 . 2 . . . . A 122 VAL HG21 . 36059 1 185 . 1 1 18 18 VAL HG22 H 1 0.969 0.030 . 2 . . . . A 122 VAL HG22 . 36059 1 186 . 1 1 18 18 VAL HG23 H 1 0.969 0.030 . 2 . . . . A 122 VAL HG23 . 36059 1 187 . 1 1 18 18 VAL C C 13 176.512 0.300 . 1 . . . . A 122 VAL C . 36059 1 188 . 1 1 18 18 VAL CA C 13 65.689 0.300 . 1 . . . . A 122 VAL CA . 36059 1 189 . 1 1 18 18 VAL CB C 13 31.497 0.300 . 1 . . . . A 122 VAL CB . 36059 1 190 . 1 1 18 18 VAL CG1 C 13 22.916 0.300 . 2 . . . . A 122 VAL CG1 . 36059 1 191 . 1 1 18 18 VAL CG2 C 13 20.195 0.300 . 2 . . . . A 122 VAL CG2 . 36059 1 192 . 1 1 18 18 VAL N N 15 121.066 0.300 . 1 . . . . A 122 VAL N . 36059 1 193 . 1 1 19 19 GLU H H 1 8.129 0.030 . 1 . . . . A 123 GLU H . 36059 1 194 . 1 1 19 19 GLU HA H 1 3.818 0.030 . 1 . . . . A 123 GLU HA . 36059 1 195 . 1 1 19 19 GLU HB2 H 1 1.977 0.030 . 2 . . . . A 123 GLU HB2 . 36059 1 196 . 1 1 19 19 GLU HB3 H 1 1.798 0.030 . 2 . . . . A 123 GLU HB3 . 36059 1 197 . 1 1 19 19 GLU HG2 H 1 2.184 0.030 . 2 . . . . A 123 GLU HG2 . 36059 1 198 . 1 1 19 19 GLU HG3 H 1 2.367 0.030 . 2 . . . . A 123 GLU HG3 . 36059 1 199 . 1 1 19 19 GLU C C 13 178.546 0.300 . 1 . . . . A 123 GLU C . 36059 1 200 . 1 1 19 19 GLU CA C 13 60.252 0.300 . 1 . . . . A 123 GLU CA . 36059 1 201 . 1 1 19 19 GLU CB C 13 28.504 0.300 . 1 . . . . A 123 GLU CB . 36059 1 202 . 1 1 19 19 GLU CG C 13 37.077 0.300 . 1 . . . . A 123 GLU CG . 36059 1 203 . 1 1 19 19 GLU N N 15 121.410 0.300 . 1 . . . . A 123 GLU N . 36059 1 204 . 1 1 20 20 ASP H H 1 7.616 0.030 . 1 . . . . A 124 ASP H . 36059 1 205 . 1 1 20 20 ASP HA H 1 4.334 0.030 . 1 . . . . A 124 ASP HA . 36059 1 206 . 1 1 20 20 ASP HB2 H 1 3.115 0.030 . 2 . . . . A 124 ASP HB2 . 36059 1 207 . 1 1 20 20 ASP HB3 H 1 2.484 0.030 . 2 . . . . A 124 ASP HB3 . 36059 1 208 . 1 1 20 20 ASP C C 13 179.610 0.300 . 1 . . . . A 124 ASP C . 36059 1 209 . 1 1 20 20 ASP CA C 13 57.222 0.300 . 1 . . . . A 124 ASP CA . 36059 1 210 . 1 1 20 20 ASP CB C 13 41.763 0.300 . 1 . . . . A 124 ASP CB . 36059 1 211 . 1 1 20 20 ASP N N 15 119.636 0.300 . 1 . . . . A 124 ASP N . 36059 1 212 . 1 1 21 21 VAL H H 1 7.441 0.030 . 1 . . . . A 125 VAL H . 36059 1 213 . 1 1 21 21 VAL HA H 1 3.450 0.030 . 1 . . . . A 125 VAL HA . 36059 1 214 . 1 1 21 21 VAL HB H 1 2.111 0.030 . 1 . . . . A 125 VAL HB . 36059 1 215 . 1 1 21 21 VAL HG11 H 1 0.785 0.030 . 2 . . . . A 125 VAL HG11 . 36059 1 216 . 1 1 21 21 VAL HG12 H 1 0.785 0.030 . 2 . . . . A 125 VAL HG12 . 36059 1 217 . 1 1 21 21 VAL HG13 H 1 0.785 0.030 . 2 . . . . A 125 VAL HG13 . 36059 1 218 . 1 1 21 21 VAL HG21 H 1 0.795 0.030 . 2 . . . . A 125 VAL HG21 . 36059 1 219 . 1 1 21 21 VAL HG22 H 1 0.795 0.030 . 2 . . . . A 125 VAL HG22 . 36059 1 220 . 1 1 21 21 VAL HG23 H 1 0.795 0.030 . 2 . . . . A 125 VAL HG23 . 36059 1 221 . 1 1 21 21 VAL C C 13 176.875 0.300 . 1 . . . . A 125 VAL C . 36059 1 222 . 1 1 21 21 VAL CA C 13 66.978 0.300 . 1 . . . . A 125 VAL CA . 36059 1 223 . 1 1 21 21 VAL CB C 13 31.804 0.300 . 1 . . . . A 125 VAL CB . 36059 1 224 . 1 1 21 21 VAL CG1 C 13 24.160 0.300 . 2 . . . . A 125 VAL CG1 . 36059 1 225 . 1 1 21 21 VAL CG2 C 13 21.759 0.300 . 2 . . . . A 125 VAL CG2 . 36059 1 226 . 1 1 21 21 VAL N N 15 119.663 0.300 . 1 . . . . A 125 VAL N . 36059 1 227 . 1 1 22 22 LYS H H 1 8.568 0.030 . 1 . . . . A 126 LYS H . 36059 1 228 . 1 1 22 22 LYS HA H 1 3.683 0.030 . 1 . . . . A 126 LYS HA . 36059 1 229 . 1 1 22 22 LYS HB2 H 1 1.810 0.030 . 2 . . . . A 126 LYS HB2 . 36059 1 230 . 1 1 22 22 LYS HB3 H 1 1.595 0.030 . 2 . . . . A 126 LYS HB3 . 36059 1 231 . 1 1 22 22 LYS HG2 H 1 1.227 0.030 . 1 . . . . A 126 LYS HG2 . 36059 1 232 . 1 1 22 22 LYS HG3 H 1 1.227 0.030 . 1 . . . . A 126 LYS HG3 . 36059 1 233 . 1 1 22 22 LYS HD2 H 1 1.592 0.030 . 1 . . . . A 126 LYS HD2 . 36059 1 234 . 1 1 22 22 LYS HD3 H 1 1.592 0.030 . 1 . . . . A 126 LYS HD3 . 36059 1 235 . 1 1 22 22 LYS HE2 H 1 2.822 0.030 . 1 . . . . A 126 LYS HE2 . 36059 1 236 . 1 1 22 22 LYS HE3 H 1 2.822 0.030 . 1 . . . . A 126 LYS HE3 . 36059 1 237 . 1 1 22 22 LYS C C 13 177.227 0.300 . 1 . . . . A 126 LYS C . 36059 1 238 . 1 1 22 22 LYS CA C 13 61.441 0.300 . 1 . . . . A 126 LYS CA . 36059 1 239 . 1 1 22 22 LYS CB C 13 32.809 0.300 . 1 . . . . A 126 LYS CB . 36059 1 240 . 1 1 22 22 LYS CG C 13 25.845 0.300 . 1 . . . . A 126 LYS CG . 36059 1 241 . 1 1 22 22 LYS CD C 13 29.711 0.300 . 1 . . . . A 126 LYS CD . 36059 1 242 . 1 1 22 22 LYS CE C 13 42.008 0.300 . 1 . . . . A 126 LYS CE . 36059 1 243 . 1 1 22 22 LYS N N 15 120.214 0.300 . 1 . . . . A 126 LYS N . 36059 1 244 . 1 1 23 23 HIS H H 1 8.507 0.030 . 1 . . . . A 127 HIS H . 36059 1 245 . 1 1 23 23 HIS HA H 1 4.497 0.030 . 1 . . . . A 127 HIS HA . 36059 1 246 . 1 1 23 23 HIS HB2 H 1 3.313 0.030 . 2 . . . . A 127 HIS HB2 . 36059 1 247 . 1 1 23 23 HIS HB3 H 1 3.231 0.030 . 2 . . . . A 127 HIS HB3 . 36059 1 248 . 1 1 23 23 HIS HD2 H 1 7.332 0.030 . 1 . . . . A 127 HIS HD2 . 36059 1 249 . 1 1 23 23 HIS C C 13 177.173 0.300 . 1 . . . . A 127 HIS C . 36059 1 250 . 1 1 23 23 HIS CA C 13 58.127 0.300 . 1 . . . . A 127 HIS CA . 36059 1 251 . 1 1 23 23 HIS CB C 13 28.492 0.300 . 1 . . . . A 127 HIS CB . 36059 1 252 . 1 1 23 23 HIS CD2 C 13 120.081 0.300 . 1 . . . . A 127 HIS CD2 . 36059 1 253 . 1 1 23 23 HIS N N 15 113.398 0.300 . 1 . . . . A 127 HIS N . 36059 1 254 . 1 1 24 24 TYR H H 1 7.846 0.030 . 1 . . . . A 128 TYR H . 36059 1 255 . 1 1 24 24 TYR HA H 1 4.038 0.030 . 1 . . . . A 128 TYR HA . 36059 1 256 . 1 1 24 24 TYR HB2 H 1 2.621 0.030 . 2 . . . . A 128 TYR HB2 . 36059 1 257 . 1 1 24 24 TYR HB3 H 1 3.031 0.030 . 2 . . . . A 128 TYR HB3 . 36059 1 258 . 1 1 24 24 TYR C C 13 178.154 0.300 . 1 . . . . A 128 TYR C . 36059 1 259 . 1 1 24 24 TYR CA C 13 62.182 0.300 . 1 . . . . A 128 TYR CA . 36059 1 260 . 1 1 24 24 TYR CB C 13 38.086 0.300 . 1 . . . . A 128 TYR CB . 36059 1 261 . 1 1 24 24 TYR N N 15 117.837 0.300 . 1 . . . . A 128 TYR N . 36059 1 262 . 1 1 25 25 PHE H H 1 8.106 0.030 . 1 . . . . A 129 PHE H . 36059 1 263 . 1 1 25 25 PHE HA H 1 4.395 0.030 . 1 . . . . A 129 PHE HA . 36059 1 264 . 1 1 25 25 PHE HB2 H 1 2.765 0.030 . 2 . . . . A 129 PHE HB2 . 36059 1 265 . 1 1 25 25 PHE HB3 H 1 3.530 0.030 . 2 . . . . A 129 PHE HB3 . 36059 1 266 . 1 1 25 25 PHE HD1 H 1 7.501 0.030 . 1 . . . . A 129 PHE HD1 . 36059 1 267 . 1 1 25 25 PHE HD2 H 1 7.501 0.030 . 1 . . . . A 129 PHE HD2 . 36059 1 268 . 1 1 25 25 PHE HE1 H 1 6.617 0.030 . 1 . . . . A 129 PHE HE1 . 36059 1 269 . 1 1 25 25 PHE HE2 H 1 6.617 0.030 . 1 . . . . A 129 PHE HE2 . 36059 1 270 . 1 1 25 25 PHE C C 13 177.510 0.300 . 1 . . . . A 129 PHE C . 36059 1 271 . 1 1 25 25 PHE CA C 13 63.679 0.300 . 1 . . . . A 129 PHE CA . 36059 1 272 . 1 1 25 25 PHE CB C 13 38.680 0.300 . 1 . . . . A 129 PHE CB . 36059 1 273 . 1 1 25 25 PHE CD1 C 13 132.024 0.300 . 1 . . . . A 129 PHE CD1 . 36059 1 274 . 1 1 25 25 PHE CD2 C 13 132.024 0.300 . 1 . . . . A 129 PHE CD2 . 36059 1 275 . 1 1 25 25 PHE CE1 C 13 131.005 0.300 . 1 . . . . A 129 PHE CE1 . 36059 1 276 . 1 1 25 25 PHE CE2 C 13 131.005 0.300 . 1 . . . . A 129 PHE CE2 . 36059 1 277 . 1 1 25 25 PHE N N 15 115.383 0.300 . 1 . . . . A 129 PHE N . 36059 1 278 . 1 1 26 26 GLU H H 1 8.390 0.030 . 1 . . . . A 130 GLU H . 36059 1 279 . 1 1 26 26 GLU HA H 1 5.065 0.030 . 1 . . . . A 130 GLU HA . 36059 1 280 . 1 1 26 26 GLU HB2 H 1 2.212 0.030 . 2 . . . . A 130 GLU HB2 . 36059 1 281 . 1 1 26 26 GLU HB3 H 1 1.988 0.030 . 2 . . . . A 130 GLU HB3 . 36059 1 282 . 1 1 26 26 GLU HG2 H 1 2.456 0.030 . 2 . . . . A 130 GLU HG2 . 36059 1 283 . 1 1 26 26 GLU HG3 H 1 2.577 0.030 . 2 . . . . A 130 GLU HG3 . 36059 1 284 . 1 1 26 26 GLU C C 13 177.892 0.300 . 1 . . . . A 130 GLU C . 36059 1 285 . 1 1 26 26 GLU CA C 13 57.710 0.300 . 1 . . . . A 130 GLU CA . 36059 1 286 . 1 1 26 26 GLU CB C 13 29.165 0.300 . 1 . . . . A 130 GLU CB . 36059 1 287 . 1 1 26 26 GLU CG C 13 37.616 0.300 . 1 . . . . A 130 GLU CG . 36059 1 288 . 1 1 26 26 GLU N N 15 120.293 0.300 . 1 . . . . A 130 GLU N . 36059 1 289 . 1 1 27 27 GLN H H 1 7.114 0.030 . 1 . . . . A 131 GLN H . 36059 1 290 . 1 1 27 27 GLN HA H 1 3.991 0.030 . 1 . . . . A 131 GLN HA . 36059 1 291 . 1 1 27 27 GLN HB2 H 1 1.589 0.030 . 1 . . . . A 131 GLN HB2 . 36059 1 292 . 1 1 27 27 GLN HB3 H 1 1.589 0.030 . 1 . . . . A 131 GLN HB3 . 36059 1 293 . 1 1 27 27 GLN HG2 H 1 1.821 0.030 . 2 . . . . A 131 GLN HG2 . 36059 1 294 . 1 1 27 27 GLN HG3 H 1 1.319 0.030 . 2 . . . . A 131 GLN HG3 . 36059 1 295 . 1 1 27 27 GLN HE21 H 1 6.594 0.030 . 2 . . . . A 131 GLN HE21 . 36059 1 296 . 1 1 27 27 GLN HE22 H 1 6.393 0.030 . 2 . . . . A 131 GLN HE22 . 36059 1 297 . 1 1 27 27 GLN C C 13 176.770 0.300 . 1 . . . . A 131 GLN C . 36059 1 298 . 1 1 27 27 GLN CA C 13 57.627 0.300 . 1 . . . . A 131 GLN CA . 36059 1 299 . 1 1 27 27 GLN CB C 13 29.223 0.300 . 1 . . . . A 131 GLN CB . 36059 1 300 . 1 1 27 27 GLN CG C 13 33.889 0.300 . 1 . . . . A 131 GLN CG . 36059 1 301 . 1 1 27 27 GLN N N 15 115.793 0.300 . 1 . . . . A 131 GLN N . 36059 1 302 . 1 1 27 27 GLN NE2 N 15 111.866 0.300 . 1 . . . . A 131 GLN NE2 . 36059 1 303 . 1 1 28 28 PHE H H 1 7.948 0.030 . 1 . . . . A 132 PHE H . 36059 1 304 . 1 1 28 28 PHE HA H 1 4.356 0.030 . 1 . . . . A 132 PHE HA . 36059 1 305 . 1 1 28 28 PHE HB2 H 1 2.978 0.030 . 2 . . . . A 132 PHE HB2 . 36059 1 306 . 1 1 28 28 PHE HB3 H 1 2.934 0.030 . 2 . . . . A 132 PHE HB3 . 36059 1 307 . 1 1 28 28 PHE HD1 H 1 7.358 0.030 . 1 . . . . A 132 PHE HD1 . 36059 1 308 . 1 1 28 28 PHE HD2 H 1 7.358 0.030 . 1 . . . . A 132 PHE HD2 . 36059 1 309 . 1 1 28 28 PHE HE1 H 1 7.186 0.030 . 1 . . . . A 132 PHE HE1 . 36059 1 310 . 1 1 28 28 PHE HE2 H 1 7.186 0.030 . 1 . . . . A 132 PHE HE2 . 36059 1 311 . 1 1 28 28 PHE HZ H 1 7.489 0.030 . 1 . . . . A 132 PHE HZ . 36059 1 312 . 1 1 28 28 PHE C C 13 175.399 0.300 . 1 . . . . A 132 PHE C . 36059 1 313 . 1 1 28 28 PHE CA C 13 59.266 0.300 . 1 . . . . A 132 PHE CA . 36059 1 314 . 1 1 28 28 PHE CB C 13 39.959 0.300 . 1 . . . . A 132 PHE CB . 36059 1 315 . 1 1 28 28 PHE CD1 C 13 131.722 0.300 . 1 . . . . A 132 PHE CD1 . 36059 1 316 . 1 1 28 28 PHE CD2 C 13 131.722 0.300 . 1 . . . . A 132 PHE CD2 . 36059 1 317 . 1 1 28 28 PHE CE1 C 13 131.696 0.300 . 1 . . . . A 132 PHE CE1 . 36059 1 318 . 1 1 28 28 PHE CE2 C 13 131.696 0.300 . 1 . . . . A 132 PHE CE2 . 36059 1 319 . 1 1 28 28 PHE CZ C 13 129.947 0.300 . 1 . . . . A 132 PHE CZ . 36059 1 320 . 1 1 28 28 PHE N N 15 116.541 0.300 . 1 . . . . A 132 PHE N . 36059 1 321 . 1 1 29 29 GLY H H 1 7.571 0.030 . 1 . . . . A 133 GLY H . 36059 1 322 . 1 1 29 29 GLY HA2 H 1 3.974 0.030 . 2 . . . . A 133 GLY HA2 . 36059 1 323 . 1 1 29 29 GLY HA3 H 1 4.081 0.030 . 2 . . . . A 133 GLY HA3 . 36059 1 324 . 1 1 29 29 GLY C C 13 169.920 0.300 . 1 . . . . A 133 GLY C . 36059 1 325 . 1 1 29 29 GLY CA C 13 44.783 0.300 . 1 . . . . A 133 GLY CA . 36059 1 326 . 1 1 29 29 GLY N N 15 105.514 0.300 . 1 . . . . A 133 GLY N . 36059 1 327 . 1 1 30 30 LYS H H 1 7.972 0.030 . 1 . . . . A 134 LYS H . 36059 1 328 . 1 1 30 30 LYS HA H 1 4.202 0.030 . 1 . . . . A 134 LYS HA . 36059 1 329 . 1 1 30 30 LYS HB2 H 1 1.727 0.030 . 1 . . . . A 134 LYS HB2 . 36059 1 330 . 1 1 30 30 LYS HB3 H 1 1.727 0.030 . 1 . . . . A 134 LYS HB3 . 36059 1 331 . 1 1 30 30 LYS HG2 H 1 1.400 0.030 . 2 . . . . A 134 LYS HG2 . 36059 1 332 . 1 1 30 30 LYS HG3 H 1 1.311 0.030 . 2 . . . . A 134 LYS HG3 . 36059 1 333 . 1 1 30 30 LYS C C 13 176.850 0.300 . 1 . . . . A 134 LYS C . 36059 1 334 . 1 1 30 30 LYS CA C 13 57.947 0.300 . 1 . . . . A 134 LYS CA . 36059 1 335 . 1 1 30 30 LYS CB C 13 32.821 0.300 . 1 . . . . A 134 LYS CB . 36059 1 336 . 1 1 30 30 LYS CG C 13 24.761 0.300 . 1 . . . . A 134 LYS CG . 36059 1 337 . 1 1 30 30 LYS CD C 13 29.151 0.300 . 1 . . . . A 134 LYS CD . 36059 1 338 . 1 1 30 30 LYS CE C 13 42.390 0.300 . 1 . . . . A 134 LYS CE . 36059 1 339 . 1 1 30 30 LYS N N 15 117.214 0.300 . 1 . . . . A 134 LYS N . 36059 1 340 . 1 1 31 31 VAL H H 1 8.838 0.030 . 1 . . . . A 135 VAL H . 36059 1 341 . 1 1 31 31 VAL HA H 1 3.930 0.030 . 1 . . . . A 135 VAL HA . 36059 1 342 . 1 1 31 31 VAL HB H 1 1.941 0.030 . 1 . . . . A 135 VAL HB . 36059 1 343 . 1 1 31 31 VAL HG11 H 1 0.606 0.030 . 2 . . . . A 135 VAL HG11 . 36059 1 344 . 1 1 31 31 VAL HG12 H 1 0.606 0.030 . 2 . . . . A 135 VAL HG12 . 36059 1 345 . 1 1 31 31 VAL HG13 H 1 0.606 0.030 . 2 . . . . A 135 VAL HG13 . 36059 1 346 . 1 1 31 31 VAL HG21 H 1 0.823 0.030 . 2 . . . . A 135 VAL HG21 . 36059 1 347 . 1 1 31 31 VAL HG22 H 1 0.823 0.030 . 2 . . . . A 135 VAL HG22 . 36059 1 348 . 1 1 31 31 VAL HG23 H 1 0.823 0.030 . 2 . . . . A 135 VAL HG23 . 36059 1 349 . 1 1 31 31 VAL C C 13 175.414 0.300 . 1 . . . . A 135 VAL C . 36059 1 350 . 1 1 31 31 VAL CA C 13 61.917 0.300 . 1 . . . . A 135 VAL CA . 36059 1 351 . 1 1 31 31 VAL CB C 13 33.372 0.300 . 1 . . . . A 135 VAL CB . 36059 1 352 . 1 1 31 31 VAL CG1 C 13 22.563 0.300 . 2 . . . . A 135 VAL CG1 . 36059 1 353 . 1 1 31 31 VAL CG2 C 13 22.004 0.300 . 2 . . . . A 135 VAL CG2 . 36059 1 354 . 1 1 31 31 VAL N N 15 128.750 0.300 . 1 . . . . A 135 VAL N . 36059 1 355 . 1 1 32 32 ASP H H 1 8.669 0.030 . 1 . . . . A 136 ASP H . 36059 1 356 . 1 1 32 32 ASP HA H 1 4.607 0.030 . 1 . . . . A 136 ASP HA . 36059 1 357 . 1 1 32 32 ASP HB2 H 1 2.462 0.030 . 2 . . . . A 136 ASP HB2 . 36059 1 358 . 1 1 32 32 ASP HB3 H 1 2.016 0.030 . 2 . . . . A 136 ASP HB3 . 36059 1 359 . 1 1 32 32 ASP C C 13 175.983 0.300 . 1 . . . . A 136 ASP C . 36059 1 360 . 1 1 32 32 ASP CA C 13 55.530 0.300 . 1 . . . . A 136 ASP CA . 36059 1 361 . 1 1 32 32 ASP CB C 13 41.818 0.300 . 1 . . . . A 136 ASP CB . 36059 1 362 . 1 1 32 32 ASP N N 15 129.225 0.300 . 1 . . . . A 136 ASP N . 36059 1 363 . 1 1 33 33 ASP H H 1 7.627 0.030 . 1 . . . . A 137 ASP H . 36059 1 364 . 1 1 33 33 ASP HA H 1 4.667 0.030 . 1 . . . . A 137 ASP HA . 36059 1 365 . 1 1 33 33 ASP HB2 H 1 2.285 0.030 . 2 . . . . A 137 ASP HB2 . 36059 1 366 . 1 1 33 33 ASP HB3 H 1 2.609 0.030 . 2 . . . . A 137 ASP HB3 . 36059 1 367 . 1 1 33 33 ASP C C 13 173.249 0.300 . 1 . . . . A 137 ASP C . 36059 1 368 . 1 1 33 33 ASP CA C 13 53.821 0.300 . 1 . . . . A 137 ASP CA . 36059 1 369 . 1 1 33 33 ASP CB C 13 44.274 0.300 . 1 . . . . A 137 ASP CB . 36059 1 370 . 1 1 33 33 ASP N N 15 115.752 0.300 . 1 . . . . A 137 ASP N . 36059 1 371 . 1 1 34 34 ALA H H 1 8.118 0.030 . 1 . . . . A 138 ALA H . 36059 1 372 . 1 1 34 34 ALA HA H 1 4.983 0.030 . 1 . . . . A 138 ALA HA . 36059 1 373 . 1 1 34 34 ALA HB1 H 1 1.077 0.030 . 1 . . . . A 138 ALA HB1 . 36059 1 374 . 1 1 34 34 ALA HB2 H 1 1.077 0.030 . 1 . . . . A 138 ALA HB2 . 36059 1 375 . 1 1 34 34 ALA HB3 H 1 1.077 0.030 . 1 . . . . A 138 ALA HB3 . 36059 1 376 . 1 1 34 34 ALA C C 13 174.393 0.300 . 1 . . . . A 138 ALA C . 36059 1 377 . 1 1 34 34 ALA CA C 13 51.583 0.300 . 1 . . . . A 138 ALA CA . 36059 1 378 . 1 1 34 34 ALA CB C 13 21.896 0.300 . 1 . . . . A 138 ALA CB . 36059 1 379 . 1 1 34 34 ALA N N 15 122.505 0.300 . 1 . . . . A 138 ALA N . 36059 1 380 . 1 1 35 35 MET H H 1 8.653 0.030 . 1 . . . . A 139 MET H . 36059 1 381 . 1 1 35 35 MET HA H 1 4.705 0.030 . 1 . . . . A 139 MET HA . 36059 1 382 . 1 1 35 35 MET HB2 H 1 2.117 0.030 . 2 . . . . A 139 MET HB2 . 36059 1 383 . 1 1 35 35 MET HB3 H 1 2.031 0.030 . 2 . . . . A 139 MET HB3 . 36059 1 384 . 1 1 35 35 MET HG2 H 1 2.508 0.030 . 1 . . . . A 139 MET HG2 . 36059 1 385 . 1 1 35 35 MET HG3 H 1 2.508 0.030 . 1 . . . . A 139 MET HG3 . 36059 1 386 . 1 1 35 35 MET HE1 H 1 2.130 0.030 . 1 . . . . A 139 MET HE1 . 36059 1 387 . 1 1 35 35 MET HE2 H 1 2.130 0.030 . 1 . . . . A 139 MET HE2 . 36059 1 388 . 1 1 35 35 MET HE3 H 1 2.130 0.030 . 1 . . . . A 139 MET HE3 . 36059 1 389 . 1 1 35 35 MET C C 13 173.418 0.300 . 1 . . . . A 139 MET C . 36059 1 390 . 1 1 35 35 MET CA C 13 54.966 0.300 . 1 . . . . A 139 MET CA . 36059 1 391 . 1 1 35 35 MET CB C 13 35.626 0.300 . 1 . . . . A 139 MET CB . 36059 1 392 . 1 1 35 35 MET CG C 13 30.964 0.300 . 1 . . . . A 139 MET CG . 36059 1 393 . 1 1 35 35 MET CE C 13 17.315 0.300 . 1 . . . . A 139 MET CE . 36059 1 394 . 1 1 35 35 MET N N 15 117.802 0.300 . 1 . . . . A 139 MET N . 36059 1 395 . 1 1 36 36 LEU H H 1 8.680 0.030 . 1 . . . . A 140 LEU H . 36059 1 396 . 1 1 36 36 LEU HA H 1 4.355 0.030 . 1 . . . . A 140 LEU HA . 36059 1 397 . 1 1 36 36 LEU HB2 H 1 1.363 0.030 . 2 . . . . A 140 LEU HB2 . 36059 1 398 . 1 1 36 36 LEU HB3 H 1 0.753 0.030 . 2 . . . . A 140 LEU HB3 . 36059 1 399 . 1 1 36 36 LEU HG H 1 1.175 0.030 . 1 . . . . A 140 LEU HG . 36059 1 400 . 1 1 36 36 LEU HD11 H 1 0.295 0.030 . 2 . . . . A 140 LEU HD11 . 36059 1 401 . 1 1 36 36 LEU HD12 H 1 0.295 0.030 . 2 . . . . A 140 LEU HD12 . 36059 1 402 . 1 1 36 36 LEU HD13 H 1 0.295 0.030 . 2 . . . . A 140 LEU HD13 . 36059 1 403 . 1 1 36 36 LEU HD21 H 1 0.171 0.030 . 2 . . . . A 140 LEU HD21 . 36059 1 404 . 1 1 36 36 LEU HD22 H 1 0.171 0.030 . 2 . . . . A 140 LEU HD22 . 36059 1 405 . 1 1 36 36 LEU HD23 H 1 0.171 0.030 . 2 . . . . A 140 LEU HD23 . 36059 1 406 . 1 1 36 36 LEU C C 13 174.941 0.300 . 1 . . . . A 140 LEU C . 36059 1 407 . 1 1 36 36 LEU CA C 13 53.309 0.300 . 1 . . . . A 140 LEU CA . 36059 1 408 . 1 1 36 36 LEU CB C 13 42.951 0.300 . 1 . . . . A 140 LEU CB . 36059 1 409 . 1 1 36 36 LEU CG C 13 27.401 0.300 . 1 . . . . A 140 LEU CG . 36059 1 410 . 1 1 36 36 LEU CD1 C 13 24.638 0.300 . 2 . . . . A 140 LEU CD1 . 36059 1 411 . 1 1 36 36 LEU CD2 C 13 23.251 0.300 . 2 . . . . A 140 LEU CD2 . 36059 1 412 . 1 1 36 36 LEU N N 15 122.589 0.300 . 1 . . . . A 140 LEU N . 36059 1 413 . 1 1 37 37 MET H H 1 6.985 0.030 . 1 . . . . A 141 MET H . 36059 1 414 . 1 1 37 37 MET HA H 1 4.904 0.030 . 1 . . . . A 141 MET HA . 36059 1 415 . 1 1 37 37 MET HB2 H 1 0.662 0.030 . 2 . . . . A 141 MET HB2 . 36059 1 416 . 1 1 37 37 MET HB3 H 1 1.836 0.030 . 2 . . . . A 141 MET HB3 . 36059 1 417 . 1 1 37 37 MET HG2 H 1 2.842 0.030 . 2 . . . . A 141 MET HG2 . 36059 1 418 . 1 1 37 37 MET HG3 H 1 1.878 0.030 . 2 . . . . A 141 MET HG3 . 36059 1 419 . 1 1 37 37 MET HE1 H 1 2.327 0.030 . 1 . . . . A 141 MET HE1 . 36059 1 420 . 1 1 37 37 MET HE2 H 1 2.327 0.030 . 1 . . . . A 141 MET HE2 . 36059 1 421 . 1 1 37 37 MET HE3 H 1 2.327 0.030 . 1 . . . . A 141 MET HE3 . 36059 1 422 . 1 1 37 37 MET C C 13 175.552 0.300 . 1 . . . . A 141 MET C . 36059 1 423 . 1 1 37 37 MET CA C 13 52.852 0.300 . 1 . . . . A 141 MET CA . 36059 1 424 . 1 1 37 37 MET CB C 13 29.120 0.300 . 1 . . . . A 141 MET CB . 36059 1 425 . 1 1 37 37 MET CG C 13 33.259 0.300 . 1 . . . . A 141 MET CG . 36059 1 426 . 1 1 37 37 MET CE C 13 16.677 0.300 . 1 . . . . A 141 MET CE . 36059 1 427 . 1 1 37 37 MET N N 15 117.214 0.300 . 1 . . . . A 141 MET N . 36059 1 428 . 1 1 38 38 PHE H H 1 9.054 0.030 . 1 . . . . A 142 PHE H . 36059 1 429 . 1 1 38 38 PHE HA H 1 4.578 0.030 . 1 . . . . A 142 PHE HA . 36059 1 430 . 1 1 38 38 PHE HB2 H 1 2.928 0.030 . 2 . . . . A 142 PHE HB2 . 36059 1 431 . 1 1 38 38 PHE HB3 H 1 2.717 0.030 . 2 . . . . A 142 PHE HB3 . 36059 1 432 . 1 1 38 38 PHE HD1 H 1 6.955 0.030 . 1 . . . . A 142 PHE HD1 . 36059 1 433 . 1 1 38 38 PHE HD2 H 1 6.955 0.030 . 1 . . . . A 142 PHE HD2 . 36059 1 434 . 1 1 38 38 PHE HE1 H 1 7.294 0.030 . 1 . . . . A 142 PHE HE1 . 36059 1 435 . 1 1 38 38 PHE HE2 H 1 7.294 0.030 . 1 . . . . A 142 PHE HE2 . 36059 1 436 . 1 1 38 38 PHE HZ H 1 7.312 0.030 . 1 . . . . A 142 PHE HZ . 36059 1 437 . 1 1 38 38 PHE C C 13 175.315 0.300 . 1 . . . . A 142 PHE C . 36059 1 438 . 1 1 38 38 PHE CA C 13 58.490 0.300 . 1 . . . . A 142 PHE CA . 36059 1 439 . 1 1 38 38 PHE CB C 13 42.288 0.300 . 1 . . . . A 142 PHE CB . 36059 1 440 . 1 1 38 38 PHE CD1 C 13 131.313 0.300 . 1 . . . . A 142 PHE CD1 . 36059 1 441 . 1 1 38 38 PHE CD2 C 13 131.313 0.300 . 1 . . . . A 142 PHE CD2 . 36059 1 442 . 1 1 38 38 PHE CE1 C 13 131.534 0.300 . 1 . . . . A 142 PHE CE1 . 36059 1 443 . 1 1 38 38 PHE CE2 C 13 131.534 0.300 . 1 . . . . A 142 PHE CE2 . 36059 1 444 . 1 1 38 38 PHE CZ C 13 129.738 0.300 . 1 . . . . A 142 PHE CZ . 36059 1 445 . 1 1 38 38 PHE N N 15 122.481 0.300 . 1 . . . . A 142 PHE N . 36059 1 446 . 1 1 39 39 ASP H H 1 8.515 0.030 . 1 . . . . A 143 ASP H . 36059 1 447 . 1 1 39 39 ASP HA H 1 4.855 0.030 . 1 . . . . A 143 ASP HA . 36059 1 448 . 1 1 39 39 ASP HB2 H 1 2.434 0.030 . 2 . . . . A 143 ASP HB2 . 36059 1 449 . 1 1 39 39 ASP HB3 H 1 3.363 0.030 . 2 . . . . A 143 ASP HB3 . 36059 1 450 . 1 1 39 39 ASP C C 13 176.790 0.300 . 1 . . . . A 143 ASP C . 36059 1 451 . 1 1 39 39 ASP CA C 13 52.940 0.300 . 1 . . . . A 143 ASP CA . 36059 1 452 . 1 1 39 39 ASP CB C 13 41.969 0.300 . 1 . . . . A 143 ASP CB . 36059 1 453 . 1 1 39 39 ASP N N 15 123.187 0.300 . 1 . . . . A 143 ASP N . 36059 1 454 . 1 1 40 40 LYS H H 1 8.976 0.030 . 1 . . . . A 144 LYS H . 36059 1 455 . 1 1 40 40 LYS HA H 1 4.223 0.030 . 1 . . . . A 144 LYS HA . 36059 1 456 . 1 1 40 40 LYS HB2 H 1 1.949 0.030 . 2 . . . . A 144 LYS HB2 . 36059 1 457 . 1 1 40 40 LYS HB3 H 1 1.579 0.030 . 2 . . . . A 144 LYS HB3 . 36059 1 458 . 1 1 40 40 LYS HG2 H 1 1.575 0.030 . 2 . . . . A 144 LYS HG2 . 36059 1 459 . 1 1 40 40 LYS HG3 H 1 1.719 0.030 . 2 . . . . A 144 LYS HG3 . 36059 1 460 . 1 1 40 40 LYS C C 13 177.629 0.300 . 1 . . . . A 144 LYS C . 36059 1 461 . 1 1 40 40 LYS CA C 13 58.279 0.300 . 1 . . . . A 144 LYS CA . 36059 1 462 . 1 1 40 40 LYS CB C 13 32.423 0.300 . 1 . . . . A 144 LYS CB . 36059 1 463 . 1 1 40 40 LYS CG C 13 24.953 0.300 . 1 . . . . A 144 LYS CG . 36059 1 464 . 1 1 40 40 LYS N N 15 125.285 0.300 . 1 . . . . A 144 LYS N . 36059 1 465 . 1 1 41 41 THR H H 1 8.888 0.030 . 1 . . . . A 145 THR H . 36059 1 466 . 1 1 41 41 THR HA H 1 4.266 0.030 . 1 . . . . A 145 THR HA . 36059 1 467 . 1 1 41 41 THR HB H 1 4.359 0.030 . 1 . . . . A 145 THR HB . 36059 1 468 . 1 1 41 41 THR HG21 H 1 1.260 0.030 . 1 . . . . A 145 THR HG21 . 36059 1 469 . 1 1 41 41 THR HG22 H 1 1.260 0.030 . 1 . . . . A 145 THR HG22 . 36059 1 470 . 1 1 41 41 THR HG23 H 1 1.260 0.030 . 1 . . . . A 145 THR HG23 . 36059 1 471 . 1 1 41 41 THR C C 13 176.107 0.300 . 1 . . . . A 145 THR C . 36059 1 472 . 1 1 41 41 THR CA C 13 64.834 0.300 . 1 . . . . A 145 THR CA . 36059 1 473 . 1 1 41 41 THR CB C 13 68.934 0.300 . 1 . . . . A 145 THR CB . 36059 1 474 . 1 1 41 41 THR CG2 C 13 22.032 0.300 . 1 . . . . A 145 THR CG2 . 36059 1 475 . 1 1 41 41 THR N N 15 113.562 0.300 . 1 . . . . A 145 THR N . 36059 1 476 . 1 1 42 42 THR H H 1 7.537 0.030 . 1 . . . . A 146 THR H . 36059 1 477 . 1 1 42 42 THR HA H 1 4.360 0.030 . 1 . . . . A 146 THR HA . 36059 1 478 . 1 1 42 42 THR HB H 1 4.323 0.030 . 1 . . . . A 146 THR HB . 36059 1 479 . 1 1 42 42 THR HG21 H 1 1.193 0.030 . 1 . . . . A 146 THR HG21 . 36059 1 480 . 1 1 42 42 THR HG22 H 1 1.193 0.030 . 1 . . . . A 146 THR HG22 . 36059 1 481 . 1 1 42 42 THR HG23 H 1 1.193 0.030 . 1 . . . . A 146 THR HG23 . 36059 1 482 . 1 1 42 42 THR C C 13 175.565 0.300 . 1 . . . . A 146 THR C . 36059 1 483 . 1 1 42 42 THR CA C 13 61.657 0.300 . 1 . . . . A 146 THR CA . 36059 1 484 . 1 1 42 42 THR CB C 13 70.548 0.300 . 1 . . . . A 146 THR CB . 36059 1 485 . 1 1 42 42 THR CG2 C 13 21.832 0.300 . 1 . . . . A 146 THR CG2 . 36059 1 486 . 1 1 42 42 THR N N 15 110.243 0.300 . 1 . . . . A 146 THR N . 36059 1 487 . 1 1 43 43 ASN H H 1 8.454 0.030 . 1 . . . . A 147 ASN H . 36059 1 488 . 1 1 43 43 ASN HA H 1 4.466 0.030 . 1 . . . . A 147 ASN HA . 36059 1 489 . 1 1 43 43 ASN HB2 H 1 3.113 0.030 . 2 . . . . A 147 ASN HB2 . 36059 1 490 . 1 1 43 43 ASN HB3 H 1 2.809 0.030 . 2 . . . . A 147 ASN HB3 . 36059 1 491 . 1 1 43 43 ASN HD21 H 1 7.481 0.030 . 2 . . . . A 147 ASN HD21 . 36059 1 492 . 1 1 43 43 ASN HD22 H 1 6.701 0.030 . 2 . . . . A 147 ASN HD22 . 36059 1 493 . 1 1 43 43 ASN C C 13 173.804 0.300 . 1 . . . . A 147 ASN C . 36059 1 494 . 1 1 43 43 ASN CA C 13 54.772 0.300 . 1 . . . . A 147 ASN CA . 36059 1 495 . 1 1 43 43 ASN CB C 13 37.684 0.300 . 1 . . . . A 147 ASN CB . 36059 1 496 . 1 1 43 43 ASN N N 15 117.357 0.300 . 1 . . . . A 147 ASN N . 36059 1 497 . 1 1 43 43 ASN ND2 N 15 111.989 0.300 . 1 . . . . A 147 ASN ND2 . 36059 1 498 . 1 1 44 44 ARG H H 1 7.604 0.030 . 1 . . . . A 148 ARG H . 36059 1 499 . 1 1 44 44 ARG HA H 1 4.677 0.030 . 1 . . . . A 148 ARG HA . 36059 1 500 . 1 1 44 44 ARG HB2 H 1 1.728 0.030 . 2 . . . . A 148 ARG HB2 . 36059 1 501 . 1 1 44 44 ARG HB3 H 1 1.596 0.030 . 2 . . . . A 148 ARG HB3 . 36059 1 502 . 1 1 44 44 ARG HG2 H 1 1.560 0.030 . 2 . . . . A 148 ARG HG2 . 36059 1 503 . 1 1 44 44 ARG HG3 H 1 1.453 0.030 . 2 . . . . A 148 ARG HG3 . 36059 1 504 . 1 1 44 44 ARG HD2 H 1 3.103 0.030 . 2 . . . . A 148 ARG HD2 . 36059 1 505 . 1 1 44 44 ARG HD3 H 1 3.202 0.030 . 2 . . . . A 148 ARG HD3 . 36059 1 506 . 1 1 44 44 ARG HE H 1 7.287 0.030 . 1 . . . . A 148 ARG HE . 36059 1 507 . 1 1 44 44 ARG C C 13 175.678 0.300 . 1 . . . . A 148 ARG C . 36059 1 508 . 1 1 44 44 ARG CA C 13 54.755 0.300 . 1 . . . . A 148 ARG CA . 36059 1 509 . 1 1 44 44 ARG CB C 13 32.883 0.300 . 1 . . . . A 148 ARG CB . 36059 1 510 . 1 1 44 44 ARG CG C 13 26.750 0.300 . 1 . . . . A 148 ARG CG . 36059 1 511 . 1 1 44 44 ARG CD C 13 43.667 0.300 . 1 . . . . A 148 ARG CD . 36059 1 512 . 1 1 44 44 ARG N N 15 116.333 0.300 . 1 . . . . A 148 ARG N . 36059 1 513 . 1 1 44 44 ARG NE N 15 85.277 0.300 . 1 . . . . A 148 ARG NE . 36059 1 514 . 1 1 45 45 HIS H H 1 8.095 0.030 . 1 . . . . A 149 HIS H . 36059 1 515 . 1 1 45 45 HIS HA H 1 4.351 0.030 . 1 . . . . A 149 HIS HA . 36059 1 516 . 1 1 45 45 HIS HB2 H 1 2.649 0.030 . 2 . . . . A 149 HIS HB2 . 36059 1 517 . 1 1 45 45 HIS HB3 H 1 2.147 0.030 . 2 . . . . A 149 HIS HB3 . 36059 1 518 . 1 1 45 45 HIS HD2 H 1 6.976 0.030 . 1 . . . . A 149 HIS HD2 . 36059 1 519 . 1 1 45 45 HIS HE1 H 1 7.079 0.030 . 1 . . . . A 149 HIS HE1 . 36059 1 520 . 1 1 45 45 HIS C C 13 175.351 0.300 . 1 . . . . A 149 HIS C . 36059 1 521 . 1 1 45 45 HIS CA C 13 56.041 0.300 . 1 . . . . A 149 HIS CA . 36059 1 522 . 1 1 45 45 HIS CB C 13 30.835 0.300 . 1 . . . . A 149 HIS CB . 36059 1 523 . 1 1 45 45 HIS CD2 C 13 119.110 0.300 . 1 . . . . A 149 HIS CD2 . 36059 1 524 . 1 1 45 45 HIS CE1 C 13 138.838 0.300 . 1 . . . . A 149 HIS CE1 . 36059 1 525 . 1 1 45 45 HIS N N 15 118.955 0.300 . 1 . . . . A 149 HIS N . 36059 1 526 . 1 1 46 46 ARG H H 1 8.282 0.030 . 1 . . . . A 150 ARG H . 36059 1 527 . 1 1 46 46 ARG HA H 1 3.957 0.030 . 1 . . . . A 150 ARG HA . 36059 1 528 . 1 1 46 46 ARG HB2 H 1 2.664 0.030 . 2 . . . . A 150 ARG HB2 . 36059 1 529 . 1 1 46 46 ARG HB3 H 1 0.952 0.030 . 2 . . . . A 150 ARG HB3 . 36059 1 530 . 1 1 46 46 ARG HG2 H 1 1.757 0.030 . 2 . . . . A 150 ARG HG2 . 36059 1 531 . 1 1 46 46 ARG HG3 H 1 1.446 0.030 . 2 . . . . A 150 ARG HG3 . 36059 1 532 . 1 1 46 46 ARG HD2 H 1 3.197 0.030 . 2 . . . . A 150 ARG HD2 . 36059 1 533 . 1 1 46 46 ARG HD3 H 1 2.705 0.030 . 2 . . . . A 150 ARG HD3 . 36059 1 534 . 1 1 46 46 ARG HE H 1 7.630 0.030 . 1 . . . . A 150 ARG HE . 36059 1 535 . 1 1 46 46 ARG C C 13 177.038 0.300 . 1 . . . . A 150 ARG C . 36059 1 536 . 1 1 46 46 ARG CA C 13 55.924 0.300 . 1 . . . . A 150 ARG CA . 36059 1 537 . 1 1 46 46 ARG CB C 13 32.656 0.300 . 1 . . . . A 150 ARG CB . 36059 1 538 . 1 1 46 46 ARG CG C 13 27.653 0.300 . 1 . . . . A 150 ARG CG . 36059 1 539 . 1 1 46 46 ARG CD C 13 44.633 0.300 . 1 . . . . A 150 ARG CD . 36059 1 540 . 1 1 46 46 ARG N N 15 116.430 0.300 . 1 . . . . A 150 ARG N . 36059 1 541 . 1 1 46 46 ARG NE N 15 83.856 0.300 . 1 . . . . A 150 ARG NE . 36059 1 542 . 1 1 47 47 GLY H H 1 10.803 0.030 . 1 . . . . A 151 GLY H . 36059 1 543 . 1 1 47 47 GLY HA2 H 1 3.695 0.030 . 2 . . . . A 151 GLY HA2 . 36059 1 544 . 1 1 47 47 GLY HA3 H 1 4.818 0.030 . 2 . . . . A 151 GLY HA3 . 36059 1 545 . 1 1 47 47 GLY C C 13 173.904 0.300 . 1 . . . . A 151 GLY C . 36059 1 546 . 1 1 47 47 GLY CA C 13 45.634 0.300 . 1 . . . . A 151 GLY CA . 36059 1 547 . 1 1 47 47 GLY N N 15 112.104 0.300 . 1 . . . . A 151 GLY N . 36059 1 548 . 1 1 48 48 PHE H H 1 7.103 0.030 . 1 . . . . A 152 PHE H . 36059 1 549 . 1 1 48 48 PHE HA H 1 5.273 0.030 . 1 . . . . A 152 PHE HA . 36059 1 550 . 1 1 48 48 PHE HB2 H 1 2.285 0.030 . 2 . . . . A 152 PHE HB2 . 36059 1 551 . 1 1 48 48 PHE HB3 H 1 2.464 0.030 . 2 . . . . A 152 PHE HB3 . 36059 1 552 . 1 1 48 48 PHE HD1 H 1 6.493 0.030 . 1 . . . . A 152 PHE HD1 . 36059 1 553 . 1 1 48 48 PHE HD2 H 1 6.493 0.030 . 1 . . . . A 152 PHE HD2 . 36059 1 554 . 1 1 48 48 PHE HE1 H 1 7.245 0.030 . 1 . . . . A 152 PHE HE1 . 36059 1 555 . 1 1 48 48 PHE HE2 H 1 7.245 0.030 . 1 . . . . A 152 PHE HE2 . 36059 1 556 . 1 1 48 48 PHE HZ H 1 7.294 0.030 . 1 . . . . A 152 PHE HZ . 36059 1 557 . 1 1 48 48 PHE C C 13 171.325 0.300 . 1 . . . . A 152 PHE C . 36059 1 558 . 1 1 48 48 PHE CA C 13 54.561 0.300 . 1 . . . . A 152 PHE CA . 36059 1 559 . 1 1 48 48 PHE CB C 13 42.586 0.300 . 1 . . . . A 152 PHE CB . 36059 1 560 . 1 1 48 48 PHE CD1 C 13 130.224 0.300 . 1 . . . . A 152 PHE CD1 . 36059 1 561 . 1 1 48 48 PHE CD2 C 13 130.224 0.300 . 1 . . . . A 152 PHE CD2 . 36059 1 562 . 1 1 48 48 PHE CE1 C 13 131.100 0.300 . 1 . . . . A 152 PHE CE1 . 36059 1 563 . 1 1 48 48 PHE CE2 C 13 131.100 0.300 . 1 . . . . A 152 PHE CE2 . 36059 1 564 . 1 1 48 48 PHE CZ C 13 128.542 0.300 . 1 . . . . A 152 PHE CZ . 36059 1 565 . 1 1 48 48 PHE N N 15 114.191 0.300 . 1 . . . . A 152 PHE N . 36059 1 566 . 1 1 49 49 GLY H H 1 7.823 0.030 . 1 . . . . A 153 GLY H . 36059 1 567 . 1 1 49 49 GLY HA2 H 1 3.483 0.030 . 2 . . . . A 153 GLY HA2 . 36059 1 568 . 1 1 49 49 GLY HA3 H 1 3.836 0.030 . 2 . . . . A 153 GLY HA3 . 36059 1 569 . 1 1 49 49 GLY C C 13 169.036 0.300 . 1 . . . . A 153 GLY C . 36059 1 570 . 1 1 49 49 GLY CA C 13 44.504 0.300 . 1 . . . . A 153 GLY CA . 36059 1 571 . 1 1 49 49 GLY N N 15 104.618 0.300 . 1 . . . . A 153 GLY N . 36059 1 572 . 1 1 50 50 PHE H H 1 8.592 0.030 . 1 . . . . A 154 PHE H . 36059 1 573 . 1 1 50 50 PHE HA H 1 5.643 0.030 . 1 . . . . A 154 PHE HA . 36059 1 574 . 1 1 50 50 PHE HB2 H 1 2.736 0.030 . 2 . . . . A 154 PHE HB2 . 36059 1 575 . 1 1 50 50 PHE HB3 H 1 2.442 0.030 . 2 . . . . A 154 PHE HB3 . 36059 1 576 . 1 1 50 50 PHE HD1 H 1 6.838 0.030 . 1 . . . . A 154 PHE HD1 . 36059 1 577 . 1 1 50 50 PHE HD2 H 1 6.838 0.030 . 1 . . . . A 154 PHE HD2 . 36059 1 578 . 1 1 50 50 PHE HE1 H 1 6.988 0.030 . 1 . . . . A 154 PHE HE1 . 36059 1 579 . 1 1 50 50 PHE HE2 H 1 6.988 0.030 . 1 . . . . A 154 PHE HE2 . 36059 1 580 . 1 1 50 50 PHE HZ H 1 7.124 0.030 . 1 . . . . A 154 PHE HZ . 36059 1 581 . 1 1 50 50 PHE C C 13 175.353 0.300 . 1 . . . . A 154 PHE C . 36059 1 582 . 1 1 50 50 PHE CA C 13 56.109 0.300 . 1 . . . . A 154 PHE CA . 36059 1 583 . 1 1 50 50 PHE CB C 13 44.548 0.300 . 1 . . . . A 154 PHE CB . 36059 1 584 . 1 1 50 50 PHE CD1 C 13 131.841 0.300 . 1 . . . . A 154 PHE CD1 . 36059 1 585 . 1 1 50 50 PHE CD2 C 13 131.841 0.300 . 1 . . . . A 154 PHE CD2 . 36059 1 586 . 1 1 50 50 PHE CE1 C 13 130.194 0.300 . 1 . . . . A 154 PHE CE1 . 36059 1 587 . 1 1 50 50 PHE CE2 C 13 130.194 0.300 . 1 . . . . A 154 PHE CE2 . 36059 1 588 . 1 1 50 50 PHE N N 15 114.062 0.300 . 1 . . . . A 154 PHE N . 36059 1 589 . 1 1 51 51 VAL H H 1 8.343 0.030 . 1 . . . . A 155 VAL H . 36059 1 590 . 1 1 51 51 VAL HA H 1 4.305 0.030 . 1 . . . . A 155 VAL HA . 36059 1 591 . 1 1 51 51 VAL HB H 1 1.090 0.030 . 1 . . . . A 155 VAL HB . 36059 1 592 . 1 1 51 51 VAL HG11 H 1 0.352 0.030 . 2 . . . . A 155 VAL HG11 . 36059 1 593 . 1 1 51 51 VAL HG12 H 1 0.352 0.030 . 2 . . . . A 155 VAL HG12 . 36059 1 594 . 1 1 51 51 VAL HG13 H 1 0.352 0.030 . 2 . . . . A 155 VAL HG13 . 36059 1 595 . 1 1 51 51 VAL HG21 H 1 0.016 0.030 . 2 . . . . A 155 VAL HG21 . 36059 1 596 . 1 1 51 51 VAL HG22 H 1 0.016 0.030 . 2 . . . . A 155 VAL HG22 . 36059 1 597 . 1 1 51 51 VAL HG23 H 1 0.016 0.030 . 2 . . . . A 155 VAL HG23 . 36059 1 598 . 1 1 51 51 VAL C C 13 173.430 0.300 . 1 . . . . A 155 VAL C . 36059 1 599 . 1 1 51 51 VAL CA C 13 60.908 0.300 . 1 . . . . A 155 VAL CA . 36059 1 600 . 1 1 51 51 VAL CB C 13 34.749 0.300 . 1 . . . . A 155 VAL CB . 36059 1 601 . 1 1 51 51 VAL CG1 C 13 21.535 0.300 . 2 . . . . A 155 VAL CG1 . 36059 1 602 . 1 1 51 51 VAL CG2 C 13 21.745 0.300 . 2 . . . . A 155 VAL CG2 . 36059 1 603 . 1 1 51 51 VAL N N 15 121.561 0.300 . 1 . . . . A 155 VAL N . 36059 1 604 . 1 1 52 52 THR H H 1 8.813 0.030 . 1 . . . . A 156 THR H . 36059 1 605 . 1 1 52 52 THR HA H 1 5.008 0.030 . 1 . . . . A 156 THR HA . 36059 1 606 . 1 1 52 52 THR HB H 1 3.792 0.030 . 1 . . . . A 156 THR HB . 36059 1 607 . 1 1 52 52 THR HG21 H 1 1.158 0.030 . 1 . . . . A 156 THR HG21 . 36059 1 608 . 1 1 52 52 THR HG22 H 1 1.158 0.030 . 1 . . . . A 156 THR HG22 . 36059 1 609 . 1 1 52 52 THR HG23 H 1 1.158 0.030 . 1 . . . . A 156 THR HG23 . 36059 1 610 . 1 1 52 52 THR C C 13 174.187 0.300 . 1 . . . . A 156 THR C . 36059 1 611 . 1 1 52 52 THR CA C 13 61.115 0.300 . 1 . . . . A 156 THR CA . 36059 1 612 . 1 1 52 52 THR CB C 13 69.868 0.300 . 1 . . . . A 156 THR CB . 36059 1 613 . 1 1 52 52 THR CG2 C 13 21.785 0.300 . 1 . . . . A 156 THR CG2 . 36059 1 614 . 1 1 52 52 THR N N 15 122.456 0.300 . 1 . . . . A 156 THR N . 36059 1 615 . 1 1 53 53 PHE H H 1 8.971 0.030 . 1 . . . . A 157 PHE H . 36059 1 616 . 1 1 53 53 PHE HA H 1 4.980 0.030 . 1 . . . . A 157 PHE HA . 36059 1 617 . 1 1 53 53 PHE HB2 H 1 2.625 0.030 . 2 . . . . A 157 PHE HB2 . 36059 1 618 . 1 1 53 53 PHE HB3 H 1 3.566 0.030 . 2 . . . . A 157 PHE HB3 . 36059 1 619 . 1 1 53 53 PHE HD1 H 1 7.100 0.030 . 1 . . . . A 157 PHE HD1 . 36059 1 620 . 1 1 53 53 PHE HD2 H 1 7.100 0.030 . 1 . . . . A 157 PHE HD2 . 36059 1 621 . 1 1 53 53 PHE HE1 H 1 6.947 0.030 . 1 . . . . A 157 PHE HE1 . 36059 1 622 . 1 1 53 53 PHE HE2 H 1 6.947 0.030 . 1 . . . . A 157 PHE HE2 . 36059 1 623 . 1 1 53 53 PHE HZ H 1 6.809 0.030 . 1 . . . . A 157 PHE HZ . 36059 1 624 . 1 1 53 53 PHE C C 13 175.132 0.300 . 1 . . . . A 157 PHE C . 36059 1 625 . 1 1 53 53 PHE CA C 13 57.715 0.300 . 1 . . . . A 157 PHE CA . 36059 1 626 . 1 1 53 53 PHE CB C 13 41.964 0.300 . 1 . . . . A 157 PHE CB . 36059 1 627 . 1 1 53 53 PHE CD1 C 13 132.525 0.300 . 1 . . . . A 157 PHE CD1 . 36059 1 628 . 1 1 53 53 PHE CD2 C 13 132.525 0.300 . 1 . . . . A 157 PHE CD2 . 36059 1 629 . 1 1 53 53 PHE CE1 C 13 130.588 0.300 . 1 . . . . A 157 PHE CE1 . 36059 1 630 . 1 1 53 53 PHE CE2 C 13 130.588 0.300 . 1 . . . . A 157 PHE CE2 . 36059 1 631 . 1 1 53 53 PHE CZ C 13 128.228 0.300 . 1 . . . . A 157 PHE CZ . 36059 1 632 . 1 1 53 53 PHE N N 15 126.117 0.300 . 1 . . . . A 157 PHE N . 36059 1 633 . 1 1 54 54 GLU H H 1 8.064 0.030 . 1 . . . . A 158 GLU H . 36059 1 634 . 1 1 54 54 GLU HA H 1 4.217 0.030 . 1 . . . . A 158 GLU HA . 36059 1 635 . 1 1 54 54 GLU HB2 H 1 2.059 0.030 . 1 . . . . A 158 GLU HB2 . 36059 1 636 . 1 1 54 54 GLU HB3 H 1 2.059 0.030 . 1 . . . . A 158 GLU HB3 . 36059 1 637 . 1 1 54 54 GLU HG2 H 1 2.293 0.030 . 2 . . . . A 158 GLU HG2 . 36059 1 638 . 1 1 54 54 GLU HG3 H 1 2.233 0.030 . 2 . . . . A 158 GLU HG3 . 36059 1 639 . 1 1 54 54 GLU C C 13 176.432 0.300 . 1 . . . . A 158 GLU C . 36059 1 640 . 1 1 54 54 GLU CA C 13 58.649 0.300 . 1 . . . . A 158 GLU CA . 36059 1 641 . 1 1 54 54 GLU CB C 13 30.672 0.300 . 1 . . . . A 158 GLU CB . 36059 1 642 . 1 1 54 54 GLU CG C 13 36.590 0.300 . 1 . . . . A 158 GLU CG . 36059 1 643 . 1 1 54 54 GLU N N 15 117.802 0.300 . 1 . . . . A 158 GLU N . 36059 1 644 . 1 1 55 55 SER H H 1 8.030 0.030 . 1 . . . . A 159 SER H . 36059 1 645 . 1 1 55 55 SER HA H 1 4.828 0.030 . 1 . . . . A 159 SER HA . 36059 1 646 . 1 1 55 55 SER HB2 H 1 3.974 0.030 . 2 . . . . A 159 SER HB2 . 36059 1 647 . 1 1 55 55 SER HB3 H 1 3.834 0.030 . 2 . . . . A 159 SER HB3 . 36059 1 648 . 1 1 55 55 SER C C 13 175.289 0.300 . 1 . . . . A 159 SER C . 36059 1 649 . 1 1 55 55 SER CA C 13 56.288 0.300 . 1 . . . . A 159 SER CA . 36059 1 650 . 1 1 55 55 SER CB C 13 64.991 0.300 . 1 . . . . A 159 SER CB . 36059 1 651 . 1 1 55 55 SER N N 15 110.288 0.300 . 1 . . . . A 159 SER N . 36059 1 652 . 1 1 56 56 GLU H H 1 9.650 0.030 . 1 . . . . A 160 GLU H . 36059 1 653 . 1 1 56 56 GLU HA H 1 4.027 0.030 . 1 . . . . A 160 GLU HA . 36059 1 654 . 1 1 56 56 GLU HB2 H 1 2.036 0.030 . 1 . . . . A 160 GLU HB2 . 36059 1 655 . 1 1 56 56 GLU HB3 H 1 2.036 0.030 . 1 . . . . A 160 GLU HB3 . 36059 1 656 . 1 1 56 56 GLU HG2 H 1 2.296 0.030 . 1 . . . . A 160 GLU HG2 . 36059 1 657 . 1 1 56 56 GLU HG3 H 1 2.296 0.030 . 1 . . . . A 160 GLU HG3 . 36059 1 658 . 1 1 56 56 GLU C C 13 177.638 0.300 . 1 . . . . A 160 GLU C . 36059 1 659 . 1 1 56 56 GLU CA C 13 59.110 0.300 . 1 . . . . A 160 GLU CA . 36059 1 660 . 1 1 56 56 GLU CB C 13 29.647 0.300 . 1 . . . . A 160 GLU CB . 36059 1 661 . 1 1 56 56 GLU CG C 13 36.469 0.300 . 1 . . . . A 160 GLU CG . 36059 1 662 . 1 1 56 56 GLU N N 15 126.874 0.300 . 1 . . . . A 160 GLU N . 36059 1 663 . 1 1 57 57 ASP H H 1 8.359 0.030 . 1 . . . . A 161 ASP H . 36059 1 664 . 1 1 57 57 ASP HA H 1 4.336 0.030 . 1 . . . . A 161 ASP HA . 36059 1 665 . 1 1 57 57 ASP HB2 H 1 2.646 0.030 . 2 . . . . A 161 ASP HB2 . 36059 1 666 . 1 1 57 57 ASP HB3 H 1 2.529 0.030 . 2 . . . . A 161 ASP HB3 . 36059 1 667 . 1 1 57 57 ASP C C 13 178.562 0.300 . 1 . . . . A 161 ASP C . 36059 1 668 . 1 1 57 57 ASP CA C 13 56.834 0.300 . 1 . . . . A 161 ASP CA . 36059 1 669 . 1 1 57 57 ASP CB C 13 39.966 0.300 . 1 . . . . A 161 ASP CB . 36059 1 670 . 1 1 57 57 ASP N N 15 119.163 0.300 . 1 . . . . A 161 ASP N . 36059 1 671 . 1 1 58 58 ILE H H 1 7.230 0.030 . 1 . . . . A 162 ILE H . 36059 1 672 . 1 1 58 58 ILE HA H 1 3.592 0.030 . 1 . . . . A 162 ILE HA . 36059 1 673 . 1 1 58 58 ILE HB H 1 1.653 0.030 . 1 . . . . A 162 ILE HB . 36059 1 674 . 1 1 58 58 ILE HG12 H 1 1.448 0.030 . 1 . . . . A 162 ILE HG12 . 36059 1 675 . 1 1 58 58 ILE HG13 H 1 1.448 0.030 . 1 . . . . A 162 ILE HG13 . 36059 1 676 . 1 1 58 58 ILE HG21 H 1 0.020 0.030 . 1 . . . . A 162 ILE HG21 . 36059 1 677 . 1 1 58 58 ILE HG22 H 1 0.020 0.030 . 1 . . . . A 162 ILE HG22 . 36059 1 678 . 1 1 58 58 ILE HG23 H 1 0.020 0.030 . 1 . . . . A 162 ILE HG23 . 36059 1 679 . 1 1 58 58 ILE HD11 H 1 0.816 0.030 . 1 . . . . A 162 ILE HD11 . 36059 1 680 . 1 1 58 58 ILE HD12 H 1 0.816 0.030 . 1 . . . . A 162 ILE HD12 . 36059 1 681 . 1 1 58 58 ILE HD13 H 1 0.816 0.030 . 1 . . . . A 162 ILE HD13 . 36059 1 682 . 1 1 58 58 ILE C C 13 177.348 0.300 . 1 . . . . A 162 ILE C . 36059 1 683 . 1 1 58 58 ILE CA C 13 61.838 0.300 . 1 . . . . A 162 ILE CA . 36059 1 684 . 1 1 58 58 ILE CB C 13 35.904 0.300 . 1 . . . . A 162 ILE CB . 36059 1 685 . 1 1 58 58 ILE CG1 C 13 27.708 0.300 . 1 . . . . A 162 ILE CG1 . 36059 1 686 . 1 1 58 58 ILE CG2 C 13 18.555 0.300 . 1 . . . . A 162 ILE CG2 . 36059 1 687 . 1 1 58 58 ILE CD1 C 13 10.291 0.300 . 1 . . . . A 162 ILE CD1 . 36059 1 688 . 1 1 58 58 ILE N N 15 120.113 0.300 . 1 . . . . A 162 ILE N . 36059 1 689 . 1 1 59 59 VAL H H 1 6.766 0.030 . 1 . . . . A 163 VAL H . 36059 1 690 . 1 1 59 59 VAL HA H 1 2.939 0.030 . 1 . . . . A 163 VAL HA . 36059 1 691 . 1 1 59 59 VAL HB H 1 2.388 0.030 . 1 . . . . A 163 VAL HB . 36059 1 692 . 1 1 59 59 VAL HG11 H 1 1.036 0.030 . 2 . . . . A 163 VAL HG11 . 36059 1 693 . 1 1 59 59 VAL HG12 H 1 1.036 0.030 . 2 . . . . A 163 VAL HG12 . 36059 1 694 . 1 1 59 59 VAL HG13 H 1 1.036 0.030 . 2 . . . . A 163 VAL HG13 . 36059 1 695 . 1 1 59 59 VAL HG21 H 1 0.754 0.030 . 2 . . . . A 163 VAL HG21 . 36059 1 696 . 1 1 59 59 VAL HG22 H 1 0.754 0.030 . 2 . . . . A 163 VAL HG22 . 36059 1 697 . 1 1 59 59 VAL HG23 H 1 0.754 0.030 . 2 . . . . A 163 VAL HG23 . 36059 1 698 . 1 1 59 59 VAL C C 13 177.871 0.300 . 1 . . . . A 163 VAL C . 36059 1 699 . 1 1 59 59 VAL CA C 13 66.997 0.300 . 1 . . . . A 163 VAL CA . 36059 1 700 . 1 1 59 59 VAL CB C 13 31.481 0.300 . 1 . . . . A 163 VAL CB . 36059 1 701 . 1 1 59 59 VAL CG1 C 13 24.276 0.300 . 2 . . . . A 163 VAL CG1 . 36059 1 702 . 1 1 59 59 VAL CG2 C 13 21.381 0.300 . 2 . . . . A 163 VAL CG2 . 36059 1 703 . 1 1 59 59 VAL N N 15 119.619 0.300 . 1 . . . . A 163 VAL N . 36059 1 704 . 1 1 60 60 GLU H H 1 7.610 0.030 . 1 . . . . A 164 GLU H . 36059 1 705 . 1 1 60 60 GLU HA H 1 3.846 0.030 . 1 . . . . A 164 GLU HA . 36059 1 706 . 1 1 60 60 GLU HB2 H 1 2.042 0.030 . 1 . . . . A 164 GLU HB2 . 36059 1 707 . 1 1 60 60 GLU HB3 H 1 2.042 0.030 . 1 . . . . A 164 GLU HB3 . 36059 1 708 . 1 1 60 60 GLU HG2 H 1 2.348 0.030 . 1 . . . . A 164 GLU HG2 . 36059 1 709 . 1 1 60 60 GLU HG3 H 1 2.348 0.030 . 1 . . . . A 164 GLU HG3 . 36059 1 710 . 1 1 60 60 GLU C C 13 178.963 0.300 . 1 . . . . A 164 GLU C . 36059 1 711 . 1 1 60 60 GLU CA C 13 59.243 0.300 . 1 . . . . A 164 GLU CA . 36059 1 712 . 1 1 60 60 GLU CB C 13 28.879 0.300 . 1 . . . . A 164 GLU CB . 36059 1 713 . 1 1 60 60 GLU CG C 13 35.366 0.300 . 1 . . . . A 164 GLU CG . 36059 1 714 . 1 1 60 60 GLU N N 15 116.829 0.300 . 1 . . . . A 164 GLU N . 36059 1 715 . 1 1 61 61 LYS H H 1 7.415 0.030 . 1 . . . . A 165 LYS H . 36059 1 716 . 1 1 61 61 LYS HA H 1 4.122 0.030 . 1 . . . . A 165 LYS HA . 36059 1 717 . 1 1 61 61 LYS HB2 H 1 1.872 0.030 . 2 . . . . A 165 LYS HB2 . 36059 1 718 . 1 1 61 61 LYS HB3 H 1 1.949 0.030 . 2 . . . . A 165 LYS HB3 . 36059 1 719 . 1 1 61 61 LYS HG2 H 1 1.514 0.030 . 2 . . . . A 165 LYS HG2 . 36059 1 720 . 1 1 61 61 LYS HG3 H 1 1.434 0.030 . 2 . . . . A 165 LYS HG3 . 36059 1 721 . 1 1 61 61 LYS HD2 H 1 1.779 0.030 . 1 . . . . A 165 LYS HD2 . 36059 1 722 . 1 1 61 61 LYS HD3 H 1 1.779 0.030 . 1 . . . . A 165 LYS HD3 . 36059 1 723 . 1 1 61 61 LYS HE2 H 1 3.194 0.030 . 2 . . . . A 165 LYS HE2 . 36059 1 724 . 1 1 61 61 LYS HE3 H 1 2.701 0.030 . 2 . . . . A 165 LYS HE3 . 36059 1 725 . 1 1 61 61 LYS C C 13 179.265 0.300 . 1 . . . . A 165 LYS C . 36059 1 726 . 1 1 61 61 LYS CA C 13 59.094 0.300 . 1 . . . . A 165 LYS CA . 36059 1 727 . 1 1 61 61 LYS CB C 13 32.336 0.300 . 1 . . . . A 165 LYS CB . 36059 1 728 . 1 1 61 61 LYS CG C 13 24.428 0.300 . 1 . . . . A 165 LYS CG . 36059 1 729 . 1 1 61 61 LYS CD C 13 28.873 0.300 . 1 . . . . A 165 LYS CD . 36059 1 730 . 1 1 61 61 LYS CE C 13 44.662 0.300 . 1 . . . . A 165 LYS CE . 36059 1 731 . 1 1 61 61 LYS N N 15 119.373 0.300 . 1 . . . . A 165 LYS N . 36059 1 732 . 1 1 62 62 VAL H H 1 8.346 0.030 . 1 . . . . A 166 VAL H . 36059 1 733 . 1 1 62 62 VAL HA H 1 3.524 0.030 . 1 . . . . A 166 VAL HA . 36059 1 734 . 1 1 62 62 VAL HB H 1 1.953 0.030 . 1 . . . . A 166 VAL HB . 36059 1 735 . 1 1 62 62 VAL HG11 H 1 0.633 0.030 . 2 . . . . A 166 VAL HG11 . 36059 1 736 . 1 1 62 62 VAL HG12 H 1 0.633 0.030 . 2 . . . . A 166 VAL HG12 . 36059 1 737 . 1 1 62 62 VAL HG13 H 1 0.633 0.030 . 2 . . . . A 166 VAL HG13 . 36059 1 738 . 1 1 62 62 VAL HG21 H 1 0.498 0.030 . 2 . . . . A 166 VAL HG21 . 36059 1 739 . 1 1 62 62 VAL HG22 H 1 0.498 0.030 . 2 . . . . A 166 VAL HG22 . 36059 1 740 . 1 1 62 62 VAL HG23 H 1 0.498 0.030 . 2 . . . . A 166 VAL HG23 . 36059 1 741 . 1 1 62 62 VAL C C 13 180.543 0.300 . 1 . . . . A 166 VAL C . 36059 1 742 . 1 1 62 62 VAL CA C 13 66.497 0.300 . 1 . . . . A 166 VAL CA . 36059 1 743 . 1 1 62 62 VAL CB C 13 31.320 0.300 . 1 . . . . A 166 VAL CB . 36059 1 744 . 1 1 62 62 VAL CG1 C 13 22.061 0.300 . 2 . . . . A 166 VAL CG1 . 36059 1 745 . 1 1 62 62 VAL CG2 C 13 22.467 0.300 . 2 . . . . A 166 VAL CG2 . 36059 1 746 . 1 1 62 62 VAL N N 15 114.745 0.300 . 1 . . . . A 166 VAL N . 36059 1 747 . 1 1 63 63 CYS H H 1 8.303 0.030 . 1 . . . . A 167 CYS H . 36059 1 748 . 1 1 63 63 CYS HA H 1 4.085 0.030 . 1 . . . . A 167 CYS HA . 36059 1 749 . 1 1 63 63 CYS HB2 H 1 2.958 0.030 . 2 . . . . A 167 CYS HB2 . 36059 1 750 . 1 1 63 63 CYS HB3 H 1 2.844 0.030 . 2 . . . . A 167 CYS HB3 . 36059 1 751 . 1 1 63 63 CYS C C 13 175.696 0.300 . 1 . . . . A 167 CYS C . 36059 1 752 . 1 1 63 63 CYS CA C 13 64.579 0.300 . 1 . . . . A 167 CYS CA . 36059 1 753 . 1 1 63 63 CYS CB C 13 26.742 0.300 . 1 . . . . A 167 CYS CB . 36059 1 754 . 1 1 63 63 CYS N N 15 120.891 0.300 . 1 . . . . A 167 CYS N . 36059 1 755 . 1 1 64 64 GLU H H 1 8.124 0.030 . 1 . . . . A 168 GLU H . 36059 1 756 . 1 1 64 64 GLU HA H 1 4.045 0.030 . 1 . . . . A 168 GLU HA . 36059 1 757 . 1 1 64 64 GLU HB2 H 1 2.182 0.030 . 2 . . . . A 168 GLU HB2 . 36059 1 758 . 1 1 64 64 GLU HB3 H 1 2.310 0.030 . 2 . . . . A 168 GLU HB3 . 36059 1 759 . 1 1 64 64 GLU HG2 H 1 2.317 0.030 . 2 . . . . A 168 GLU HG2 . 36059 1 760 . 1 1 64 64 GLU HG3 H 1 2.235 0.030 . 2 . . . . A 168 GLU HG3 . 36059 1 761 . 1 1 64 64 GLU C C 13 178.942 0.300 . 1 . . . . A 168 GLU C . 36059 1 762 . 1 1 64 64 GLU CA C 13 59.196 0.300 . 1 . . . . A 168 GLU CA . 36059 1 763 . 1 1 64 64 GLU CB C 13 29.157 0.300 . 1 . . . . A 168 GLU CB . 36059 1 764 . 1 1 64 64 GLU CG C 13 36.083 0.300 . 1 . . . . A 168 GLU CG . 36059 1 765 . 1 1 64 64 GLU N N 15 123.271 0.300 . 1 . . . . A 168 GLU N . 36059 1 766 . 1 1 65 65 ILE H H 1 7.681 0.030 . 1 . . . . A 169 ILE H . 36059 1 767 . 1 1 65 65 ILE HA H 1 3.683 0.030 . 1 . . . . A 169 ILE HA . 36059 1 768 . 1 1 65 65 ILE HB H 1 1.439 0.030 . 1 . . . . A 169 ILE HB . 36059 1 769 . 1 1 65 65 ILE HG12 H 1 1.111 0.030 . 2 . . . . A 169 ILE HG12 . 36059 1 770 . 1 1 65 65 ILE HG13 H 1 1.838 0.030 . 2 . . . . A 169 ILE HG13 . 36059 1 771 . 1 1 65 65 ILE HG21 H 1 0.529 0.030 . 1 . . . . A 169 ILE HG21 . 36059 1 772 . 1 1 65 65 ILE HG22 H 1 0.529 0.030 . 1 . . . . A 169 ILE HG22 . 36059 1 773 . 1 1 65 65 ILE HG23 H 1 0.529 0.030 . 1 . . . . A 169 ILE HG23 . 36059 1 774 . 1 1 65 65 ILE HD11 H 1 0.950 0.030 . 1 . . . . A 169 ILE HD11 . 36059 1 775 . 1 1 65 65 ILE HD12 H 1 0.950 0.030 . 1 . . . . A 169 ILE HD12 . 36059 1 776 . 1 1 65 65 ILE HD13 H 1 0.950 0.030 . 1 . . . . A 169 ILE HD13 . 36059 1 777 . 1 1 65 65 ILE C C 13 179.496 0.300 . 1 . . . . A 169 ILE C . 36059 1 778 . 1 1 65 65 ILE CA C 13 65.476 0.300 . 1 . . . . A 169 ILE CA . 36059 1 779 . 1 1 65 65 ILE CB C 13 39.076 0.300 . 1 . . . . A 169 ILE CB . 36059 1 780 . 1 1 65 65 ILE CG1 C 13 29.329 0.300 . 1 . . . . A 169 ILE CG1 . 36059 1 781 . 1 1 65 65 ILE CG2 C 13 16.420 0.300 . 1 . . . . A 169 ILE CG2 . 36059 1 782 . 1 1 65 65 ILE CD1 C 13 14.991 0.300 . 1 . . . . A 169 ILE CD1 . 36059 1 783 . 1 1 65 65 ILE N N 15 120.912 0.300 . 1 . . . . A 169 ILE N . 36059 1 784 . 1 1 66 66 HIS H H 1 7.592 0.030 . 1 . . . . A 170 HIS H . 36059 1 785 . 1 1 66 66 HIS HA H 1 4.103 0.030 . 1 . . . . A 170 HIS HA . 36059 1 786 . 1 1 66 66 HIS HB2 H 1 3.975 0.030 . 2 . . . . A 170 HIS HB2 . 36059 1 787 . 1 1 66 66 HIS HB3 H 1 3.072 0.030 . 2 . . . . A 170 HIS HB3 . 36059 1 788 . 1 1 66 66 HIS HD2 H 1 7.097 0.030 . 1 . . . . A 170 HIS HD2 . 36059 1 789 . 1 1 66 66 HIS HE1 H 1 8.635 0.030 . 1 . . . . A 170 HIS HE1 . 36059 1 790 . 1 1 66 66 HIS C C 13 174.103 0.300 . 1 . . . . A 170 HIS C . 36059 1 791 . 1 1 66 66 HIS CA C 13 60.426 0.300 . 1 . . . . A 170 HIS CA . 36059 1 792 . 1 1 66 66 HIS CB C 13 27.861 0.300 . 1 . . . . A 170 HIS CB . 36059 1 793 . 1 1 66 66 HIS CD2 C 13 118.256 0.300 . 1 . . . . A 170 HIS CD2 . 36059 1 794 . 1 1 66 66 HIS CE1 C 13 136.636 0.300 . 1 . . . . A 170 HIS CE1 . 36059 1 795 . 1 1 66 66 HIS N N 15 111.118 0.300 . 1 . . . . A 170 HIS N . 36059 1 796 . 1 1 67 67 PHE H H 1 8.928 0.030 . 1 . . . . A 171 PHE H . 36059 1 797 . 1 1 67 67 PHE HA H 1 5.607 0.030 . 1 . . . . A 171 PHE HA . 36059 1 798 . 1 1 67 67 PHE HB2 H 1 2.963 0.030 . 2 . . . . A 171 PHE HB2 . 36059 1 799 . 1 1 67 67 PHE HB3 H 1 2.731 0.030 . 2 . . . . A 171 PHE HB3 . 36059 1 800 . 1 1 67 67 PHE HD1 H 1 7.061 0.030 . 1 . . . . A 171 PHE HD1 . 36059 1 801 . 1 1 67 67 PHE HD2 H 1 7.061 0.030 . 1 . . . . A 171 PHE HD2 . 36059 1 802 . 1 1 67 67 PHE HE1 H 1 7.095 0.030 . 1 . . . . A 171 PHE HE1 . 36059 1 803 . 1 1 67 67 PHE C C 13 174.707 0.300 . 1 . . . . A 171 PHE C . 36059 1 804 . 1 1 67 67 PHE CA C 13 57.346 0.300 . 1 . . . . A 171 PHE CA . 36059 1 805 . 1 1 67 67 PHE CB C 13 41.190 0.300 . 1 . . . . A 171 PHE CB . 36059 1 806 . 1 1 67 67 PHE CD1 C 13 131.618 0.300 . 1 . . . . A 171 PHE CD1 . 36059 1 807 . 1 1 67 67 PHE CD2 C 13 131.618 0.300 . 1 . . . . A 171 PHE CD2 . 36059 1 808 . 1 1 67 67 PHE CE1 C 13 130.733 0.300 . 1 . . . . A 171 PHE CE1 . 36059 1 809 . 1 1 67 67 PHE CE2 C 13 130.733 0.300 . 1 . . . . A 171 PHE CE2 . 36059 1 810 . 1 1 67 67 PHE N N 15 122.308 0.300 . 1 . . . . A 171 PHE N . 36059 1 811 . 1 1 68 68 HIS H H 1 9.042 0.030 . 1 . . . . A 172 HIS H . 36059 1 812 . 1 1 68 68 HIS HA H 1 4.504 0.030 . 1 . . . . A 172 HIS HA . 36059 1 813 . 1 1 68 68 HIS HB2 H 1 2.703 0.030 . 2 . . . . A 172 HIS HB2 . 36059 1 814 . 1 1 68 68 HIS HB3 H 1 2.364 0.030 . 2 . . . . A 172 HIS HB3 . 36059 1 815 . 1 1 68 68 HIS HD2 H 1 6.923 0.030 . 1 . . . . A 172 HIS HD2 . 36059 1 816 . 1 1 68 68 HIS HE1 H 1 7.219 0.030 . 1 . . . . A 172 HIS HE1 . 36059 1 817 . 1 1 68 68 HIS C C 13 172.720 0.300 . 1 . . . . A 172 HIS C . 36059 1 818 . 1 1 68 68 HIS CA C 13 54.808 0.300 . 1 . . . . A 172 HIS CA . 36059 1 819 . 1 1 68 68 HIS CB C 13 34.786 0.300 . 1 . . . . A 172 HIS CB . 36059 1 820 . 1 1 68 68 HIS CD2 C 13 118.137 0.300 . 1 . . . . A 172 HIS CD2 . 36059 1 821 . 1 1 68 68 HIS CE1 C 13 135.546 0.300 . 1 . . . . A 172 HIS CE1 . 36059 1 822 . 1 1 68 68 HIS N N 15 122.337 0.300 . 1 . . . . A 172 HIS N . 36059 1 823 . 1 1 69 69 GLU H H 1 8.889 0.030 . 1 . . . . A 173 GLU H . 36059 1 824 . 1 1 69 69 GLU HA H 1 4.760 0.030 . 1 . . . . A 173 GLU HA . 36059 1 825 . 1 1 69 69 GLU HB2 H 1 1.942 0.030 . 2 . . . . A 173 GLU HB2 . 36059 1 826 . 1 1 69 69 GLU HB3 H 1 1.749 0.030 . 2 . . . . A 173 GLU HB3 . 36059 1 827 . 1 1 69 69 GLU HG2 H 1 1.855 0.030 . 2 . . . . A 173 GLU HG2 . 36059 1 828 . 1 1 69 69 GLU HG3 H 1 1.759 0.030 . 2 . . . . A 173 GLU HG3 . 36059 1 829 . 1 1 69 69 GLU C C 13 174.404 0.300 . 1 . . . . A 173 GLU C . 36059 1 830 . 1 1 69 69 GLU CA C 13 55.689 0.300 . 1 . . . . A 173 GLU CA . 36059 1 831 . 1 1 69 69 GLU CB C 13 30.947 0.300 . 1 . . . . A 173 GLU CB . 36059 1 832 . 1 1 69 69 GLU CG C 13 36.903 0.300 . 1 . . . . A 173 GLU CG . 36059 1 833 . 1 1 69 69 GLU N N 15 125.383 0.300 . 1 . . . . A 173 GLU N . 36059 1 834 . 1 1 70 70 ILE H H 1 8.279 0.030 . 1 . . . . A 174 ILE H . 36059 1 835 . 1 1 70 70 ILE HA H 1 3.892 0.030 . 1 . . . . A 174 ILE HA . 36059 1 836 . 1 1 70 70 ILE HB H 1 1.323 0.030 . 1 . . . . A 174 ILE HB . 36059 1 837 . 1 1 70 70 ILE HG12 H 1 0.661 0.030 . 2 . . . . A 174 ILE HG12 . 36059 1 838 . 1 1 70 70 ILE HG13 H 1 -0.346 0.030 . 2 . . . . A 174 ILE HG13 . 36059 1 839 . 1 1 70 70 ILE HG21 H 1 0.459 0.030 . 1 . . . . A 174 ILE HG21 . 36059 1 840 . 1 1 70 70 ILE HG22 H 1 0.459 0.030 . 1 . . . . A 174 ILE HG22 . 36059 1 841 . 1 1 70 70 ILE HG23 H 1 0.459 0.030 . 1 . . . . A 174 ILE HG23 . 36059 1 842 . 1 1 70 70 ILE HD11 H 1 0.219 0.030 . 1 . . . . A 174 ILE HD11 . 36059 1 843 . 1 1 70 70 ILE HD12 H 1 0.219 0.030 . 1 . . . . A 174 ILE HD12 . 36059 1 844 . 1 1 70 70 ILE HD13 H 1 0.219 0.030 . 1 . . . . A 174 ILE HD13 . 36059 1 845 . 1 1 70 70 ILE C C 13 176.223 0.300 . 1 . . . . A 174 ILE C . 36059 1 846 . 1 1 70 70 ILE CA C 13 60.904 0.300 . 1 . . . . A 174 ILE CA . 36059 1 847 . 1 1 70 70 ILE CB C 13 39.724 0.300 . 1 . . . . A 174 ILE CB . 36059 1 848 . 1 1 70 70 ILE CG1 C 13 25.321 0.300 . 1 . . . . A 174 ILE CG1 . 36059 1 849 . 1 1 70 70 ILE CG2 C 13 16.238 0.300 . 1 . . . . A 174 ILE CG2 . 36059 1 850 . 1 1 70 70 ILE CD1 C 13 14.527 0.300 . 1 . . . . A 174 ILE CD1 . 36059 1 851 . 1 1 70 70 ILE N N 15 124.123 0.300 . 1 . . . . A 174 ILE N . 36059 1 852 . 1 1 71 71 ASN H H 1 9.410 0.030 . 1 . . . . A 175 ASN H . 36059 1 853 . 1 1 71 71 ASN HA H 1 4.188 0.030 . 1 . . . . A 175 ASN HA . 36059 1 854 . 1 1 71 71 ASN HB2 H 1 2.923 0.030 . 2 . . . . A 175 ASN HB2 . 36059 1 855 . 1 1 71 71 ASN HB3 H 1 2.525 0.030 . 2 . . . . A 175 ASN HB3 . 36059 1 856 . 1 1 71 71 ASN HD21 H 1 7.188 0.030 . 2 . . . . A 175 ASN HD21 . 36059 1 857 . 1 1 71 71 ASN HD22 H 1 6.948 0.030 . 2 . . . . A 175 ASN HD22 . 36059 1 858 . 1 1 71 71 ASN C C 13 174.474 0.300 . 1 . . . . A 175 ASN C . 36059 1 859 . 1 1 71 71 ASN CA C 13 54.561 0.300 . 1 . . . . A 175 ASN CA . 36059 1 860 . 1 1 71 71 ASN CB C 13 36.796 0.300 . 1 . . . . A 175 ASN CB . 36059 1 861 . 1 1 71 71 ASN N N 15 126.885 0.300 . 1 . . . . A 175 ASN N . 36059 1 862 . 1 1 71 71 ASN ND2 N 15 112.409 0.300 . 1 . . . . A 175 ASN ND2 . 36059 1 863 . 1 1 72 72 ASN H H 1 8.913 0.030 . 1 . . . . A 176 ASN H . 36059 1 864 . 1 1 72 72 ASN HA H 1 4.172 0.030 . 1 . . . . A 176 ASN HA . 36059 1 865 . 1 1 72 72 ASN HB2 H 1 3.003 0.030 . 2 . . . . A 176 ASN HB2 . 36059 1 866 . 1 1 72 72 ASN HB3 H 1 2.836 0.030 . 2 . . . . A 176 ASN HB3 . 36059 1 867 . 1 1 72 72 ASN HD21 H 1 7.450 0.030 . 2 . . . . A 176 ASN HD21 . 36059 1 868 . 1 1 72 72 ASN HD22 H 1 6.800 0.030 . 2 . . . . A 176 ASN HD22 . 36059 1 869 . 1 1 72 72 ASN C C 13 172.778 0.300 . 1 . . . . A 176 ASN C . 36059 1 870 . 1 1 72 72 ASN CA C 13 54.873 0.300 . 1 . . . . A 176 ASN CA . 36059 1 871 . 1 1 72 72 ASN CB C 13 37.490 0.300 . 1 . . . . A 176 ASN CB . 36059 1 872 . 1 1 72 72 ASN N N 15 108.001 0.300 . 1 . . . . A 176 ASN N . 36059 1 873 . 1 1 72 72 ASN ND2 N 15 112.257 0.300 . 1 . . . . A 176 ASN ND2 . 36059 1 874 . 1 1 73 73 LYS H H 1 7.442 0.030 . 1 . . . . A 177 LYS H . 36059 1 875 . 1 1 73 73 LYS HA H 1 4.544 0.030 . 1 . . . . A 177 LYS HA . 36059 1 876 . 1 1 73 73 LYS HB2 H 1 1.866 0.030 . 2 . . . . A 177 LYS HB2 . 36059 1 877 . 1 1 73 73 LYS HB3 H 1 1.572 0.030 . 2 . . . . A 177 LYS HB3 . 36059 1 878 . 1 1 73 73 LYS HG2 H 1 1.340 0.030 . 1 . . . . A 177 LYS HG2 . 36059 1 879 . 1 1 73 73 LYS HG3 H 1 1.340 0.030 . 1 . . . . A 177 LYS HG3 . 36059 1 880 . 1 1 73 73 LYS HD2 H 1 1.792 0.030 . 2 . . . . A 177 LYS HD2 . 36059 1 881 . 1 1 73 73 LYS HD3 H 1 1.672 0.030 . 2 . . . . A 177 LYS HD3 . 36059 1 882 . 1 1 73 73 LYS HE2 H 1 3.106 0.030 . 2 . . . . A 177 LYS HE2 . 36059 1 883 . 1 1 73 73 LYS HE3 H 1 3.002 0.030 . 2 . . . . A 177 LYS HE3 . 36059 1 884 . 1 1 73 73 LYS C C 13 173.817 0.300 . 1 . . . . A 177 LYS C . 36059 1 885 . 1 1 73 73 LYS CA C 13 54.438 0.300 . 1 . . . . A 177 LYS CA . 36059 1 886 . 1 1 73 73 LYS CB C 13 35.971 0.300 . 1 . . . . A 177 LYS CB . 36059 1 887 . 1 1 73 73 LYS CG C 13 24.959 0.300 . 1 . . . . A 177 LYS CG . 36059 1 888 . 1 1 73 73 LYS CD C 13 28.591 0.300 . 1 . . . . A 177 LYS CD . 36059 1 889 . 1 1 73 73 LYS CE C 13 42.727 0.300 . 1 . . . . A 177 LYS CE . 36059 1 890 . 1 1 73 73 LYS N N 15 120.909 0.300 . 1 . . . . A 177 LYS N . 36059 1 891 . 1 1 74 74 MET H H 1 8.428 0.030 . 1 . . . . A 178 MET H . 36059 1 892 . 1 1 74 74 MET HA H 1 4.863 0.030 . 1 . . . . A 178 MET HA . 36059 1 893 . 1 1 74 74 MET HB2 H 1 1.998 0.030 . 2 . . . . A 178 MET HB2 . 36059 1 894 . 1 1 74 74 MET HB3 H 1 1.825 0.030 . 2 . . . . A 178 MET HB3 . 36059 1 895 . 1 1 74 74 MET HG2 H 1 2.508 0.030 . 2 . . . . A 178 MET HG2 . 36059 1 896 . 1 1 74 74 MET HG3 H 1 2.007 0.030 . 2 . . . . A 178 MET HG3 . 36059 1 897 . 1 1 74 74 MET HE1 H 1 1.845 0.030 . 1 . . . . A 178 MET HE1 . 36059 1 898 . 1 1 74 74 MET HE2 H 1 1.845 0.030 . 1 . . . . A 178 MET HE2 . 36059 1 899 . 1 1 74 74 MET HE3 H 1 1.845 0.030 . 1 . . . . A 178 MET HE3 . 36059 1 900 . 1 1 74 74 MET C C 13 175.786 0.300 . 1 . . . . A 178 MET C . 36059 1 901 . 1 1 74 74 MET CA C 13 54.772 0.300 . 1 . . . . A 178 MET CA . 36059 1 902 . 1 1 74 74 MET CB C 13 31.248 0.300 . 1 . . . . A 178 MET CB . 36059 1 903 . 1 1 74 74 MET CG C 13 31.643 0.300 . 1 . . . . A 178 MET CG . 36059 1 904 . 1 1 74 74 MET CE C 13 16.151 0.300 . 1 . . . . A 178 MET CE . 36059 1 905 . 1 1 74 74 MET N N 15 124.465 0.300 . 1 . . . . A 178 MET N . 36059 1 906 . 1 1 75 75 VAL H H 1 9.643 0.030 . 1 . . . . A 179 VAL H . 36059 1 907 . 1 1 75 75 VAL HA H 1 4.686 0.030 . 1 . . . . A 179 VAL HA . 36059 1 908 . 1 1 75 75 VAL HB H 1 1.925 0.030 . 1 . . . . A 179 VAL HB . 36059 1 909 . 1 1 75 75 VAL HG11 H 1 0.656 0.030 . 2 . . . . A 179 VAL HG11 . 36059 1 910 . 1 1 75 75 VAL HG12 H 1 0.656 0.030 . 2 . . . . A 179 VAL HG12 . 36059 1 911 . 1 1 75 75 VAL HG13 H 1 0.656 0.030 . 2 . . . . A 179 VAL HG13 . 36059 1 912 . 1 1 75 75 VAL HG21 H 1 0.649 0.030 . 2 . . . . A 179 VAL HG21 . 36059 1 913 . 1 1 75 75 VAL HG22 H 1 0.649 0.030 . 2 . . . . A 179 VAL HG22 . 36059 1 914 . 1 1 75 75 VAL HG23 H 1 0.649 0.030 . 2 . . . . A 179 VAL HG23 . 36059 1 915 . 1 1 75 75 VAL C C 13 173.791 0.300 . 1 . . . . A 179 VAL C . 36059 1 916 . 1 1 75 75 VAL CA C 13 59.353 0.300 . 1 . . . . A 179 VAL CA . 36059 1 917 . 1 1 75 75 VAL CB C 13 33.162 0.300 . 1 . . . . A 179 VAL CB . 36059 1 918 . 1 1 75 75 VAL CG1 C 13 21.114 0.300 . 2 . . . . A 179 VAL CG1 . 36059 1 919 . 1 1 75 75 VAL CG2 C 13 19.814 0.300 . 2 . . . . A 179 VAL CG2 . 36059 1 920 . 1 1 75 75 VAL N N 15 124.283 0.300 . 1 . . . . A 179 VAL N . 36059 1 921 . 1 1 76 76 GLU H H 1 8.881 0.030 . 1 . . . . A 180 GLU H . 36059 1 922 . 1 1 76 76 GLU HA H 1 4.692 0.030 . 1 . . . . A 180 GLU HA . 36059 1 923 . 1 1 76 76 GLU HB2 H 1 2.037 0.030 . 2 . . . . A 180 GLU HB2 . 36059 1 924 . 1 1 76 76 GLU HB3 H 1 2.114 0.030 . 2 . . . . A 180 GLU HB3 . 36059 1 925 . 1 1 76 76 GLU HG2 H 1 1.630 0.030 . 2 . . . . A 180 GLU HG2 . 36059 1 926 . 1 1 76 76 GLU HG3 H 1 2.034 0.030 . 2 . . . . A 180 GLU HG3 . 36059 1 927 . 1 1 76 76 GLU C C 13 175.669 0.300 . 1 . . . . A 180 GLU C . 36059 1 928 . 1 1 76 76 GLU CA C 13 54.896 0.300 . 1 . . . . A 180 GLU CA . 36059 1 929 . 1 1 76 76 GLU CB C 13 32.888 0.300 . 1 . . . . A 180 GLU CB . 36059 1 930 . 1 1 76 76 GLU CG C 13 37.259 0.300 . 1 . . . . A 180 GLU CG . 36059 1 931 . 1 1 76 76 GLU N N 15 123.354 0.300 . 1 . . . . A 180 GLU N . 36059 1 932 . 1 1 77 77 CYS H H 1 8.939 0.030 . 1 . . . . A 181 CYS H . 36059 1 933 . 1 1 77 77 CYS HA H 1 5.689 0.030 . 1 . . . . A 181 CYS HA . 36059 1 934 . 1 1 77 77 CYS HB2 H 1 2.763 0.030 . 2 . . . . A 181 CYS HB2 . 36059 1 935 . 1 1 77 77 CYS HB3 H 1 2.613 0.030 . 2 . . . . A 181 CYS HB3 . 36059 1 936 . 1 1 77 77 CYS C C 13 173.789 0.300 . 1 . . . . A 181 CYS C . 36059 1 937 . 1 1 77 77 CYS CA C 13 57.486 0.300 . 1 . . . . A 181 CYS CA . 36059 1 938 . 1 1 77 77 CYS CB C 13 30.490 0.300 . 1 . . . . A 181 CYS CB . 36059 1 939 . 1 1 77 77 CYS N N 15 122.589 0.300 . 1 . . . . A 181 CYS N . 36059 1 940 . 1 1 78 78 LYS H H 1 9.138 0.030 . 1 . . . . A 182 LYS H . 36059 1 941 . 1 1 78 78 LYS HA H 1 4.740 0.030 . 1 . . . . A 182 LYS HA . 36059 1 942 . 1 1 78 78 LYS HB2 H 1 2.033 0.030 . 2 . . . . A 182 LYS HB2 . 36059 1 943 . 1 1 78 78 LYS HB3 H 1 1.644 0.030 . 2 . . . . A 182 LYS HB3 . 36059 1 944 . 1 1 78 78 LYS HG2 H 1 1.466 0.030 . 2 . . . . A 182 LYS HG2 . 36059 1 945 . 1 1 78 78 LYS HG3 H 1 1.267 0.030 . 2 . . . . A 182 LYS HG3 . 36059 1 946 . 1 1 78 78 LYS HD2 H 1 1.502 0.030 . 1 . . . . A 182 LYS HD2 . 36059 1 947 . 1 1 78 78 LYS HD3 H 1 1.502 0.030 . 1 . . . . A 182 LYS HD3 . 36059 1 948 . 1 1 78 78 LYS HE2 H 1 2.875 0.030 . 1 . . . . A 182 LYS HE2 . 36059 1 949 . 1 1 78 78 LYS HE3 H 1 2.875 0.030 . 1 . . . . A 182 LYS HE3 . 36059 1 950 . 1 1 78 78 LYS C C 13 175.059 0.300 . 1 . . . . A 182 LYS C . 36059 1 951 . 1 1 78 78 LYS CA C 13 54.490 0.300 . 1 . . . . A 182 LYS CA . 36059 1 952 . 1 1 78 78 LYS CB C 13 37.231 0.300 . 1 . . . . A 182 LYS CB . 36059 1 953 . 1 1 78 78 LYS CG C 13 25.270 0.300 . 1 . . . . A 182 LYS CG . 36059 1 954 . 1 1 78 78 LYS CD C 13 29.440 0.300 . 1 . . . . A 182 LYS CD . 36059 1 955 . 1 1 78 78 LYS CE C 13 42.302 0.300 . 1 . . . . A 182 LYS CE . 36059 1 956 . 1 1 78 78 LYS N N 15 120.909 0.300 . 1 . . . . A 182 LYS N . 36059 1 957 . 1 1 79 79 LYS H H 1 8.956 0.030 . 1 . . . . A 183 LYS H . 36059 1 958 . 1 1 79 79 LYS HA H 1 3.980 0.030 . 1 . . . . A 183 LYS HA . 36059 1 959 . 1 1 79 79 LYS HB2 H 1 1.922 0.030 . 2 . . . . A 183 LYS HB2 . 36059 1 960 . 1 1 79 79 LYS HB3 H 1 1.720 0.030 . 2 . . . . A 183 LYS HB3 . 36059 1 961 . 1 1 79 79 LYS HG2 H 1 1.327 0.030 . 2 . . . . A 183 LYS HG2 . 36059 1 962 . 1 1 79 79 LYS HG3 H 1 1.707 0.030 . 2 . . . . A 183 LYS HG3 . 36059 1 963 . 1 1 79 79 LYS HE2 H 1 2.865 0.030 . 1 . . . . A 183 LYS HE2 . 36059 1 964 . 1 1 79 79 LYS HE3 H 1 2.865 0.030 . 1 . . . . A 183 LYS HE3 . 36059 1 965 . 1 1 79 79 LYS C C 13 177.446 0.300 . 1 . . . . A 183 LYS C . 36059 1 966 . 1 1 79 79 LYS CA C 13 59.054 0.300 . 1 . . . . A 183 LYS CA . 36059 1 967 . 1 1 79 79 LYS CB C 13 32.209 0.300 . 1 . . . . A 183 LYS CB . 36059 1 968 . 1 1 79 79 LYS CG C 13 27.071 0.300 . 1 . . . . A 183 LYS CG . 36059 1 969 . 1 1 79 79 LYS CD C 13 29.536 0.300 . 1 . . . . A 183 LYS CD . 36059 1 970 . 1 1 79 79 LYS CE C 13 42.270 0.300 . 1 . . . . A 183 LYS CE . 36059 1 971 . 1 1 79 79 LYS N N 15 123.177 0.300 . 1 . . . . A 183 LYS N . 36059 1 972 . 1 1 80 80 ALA H H 1 8.276 0.030 . 1 . . . . A 184 ALA H . 36059 1 973 . 1 1 80 80 ALA HA H 1 5.335 0.030 . 1 . . . . A 184 ALA HA . 36059 1 974 . 1 1 80 80 ALA HB1 H 1 1.424 0.030 . 1 . . . . A 184 ALA HB1 . 36059 1 975 . 1 1 80 80 ALA HB2 H 1 1.424 0.030 . 1 . . . . A 184 ALA HB2 . 36059 1 976 . 1 1 80 80 ALA HB3 H 1 1.424 0.030 . 1 . . . . A 184 ALA HB3 . 36059 1 977 . 1 1 80 80 ALA C C 13 177.375 0.300 . 1 . . . . A 184 ALA C . 36059 1 978 . 1 1 80 80 ALA CA C 13 52.270 0.300 . 1 . . . . A 184 ALA CA . 36059 1 979 . 1 1 80 80 ALA CB C 13 18.875 0.300 . 1 . . . . A 184 ALA CB . 36059 1 980 . 1 1 80 80 ALA N N 15 126.056 0.300 . 1 . . . . A 184 ALA N . 36059 1 981 . 1 1 81 81 GLN H H 1 10.246 0.030 . 1 . . . . A 185 GLN H . 36059 1 982 . 1 1 81 81 GLN HA H 1 4.845 0.030 . 1 . . . . A 185 GLN HA . 36059 1 983 . 1 1 81 81 GLN HB2 H 1 1.796 0.030 . 2 . . . . A 185 GLN HB2 . 36059 1 984 . 1 1 81 81 GLN HB3 H 1 1.444 0.030 . 2 . . . . A 185 GLN HB3 . 36059 1 985 . 1 1 81 81 GLN HG2 H 1 2.270 0.030 . 1 . . . . A 185 GLN HG2 . 36059 1 986 . 1 1 81 81 GLN HG3 H 1 2.270 0.030 . 1 . . . . A 185 GLN HG3 . 36059 1 987 . 1 1 81 81 GLN HE21 H 1 7.243 0.030 . 2 . . . . A 185 GLN HE21 . 36059 1 988 . 1 1 81 81 GLN HE22 H 1 6.688 0.030 . 2 . . . . A 185 GLN HE22 . 36059 1 989 . 1 1 81 81 GLN CA C 13 52.118 0.300 . 1 . . . . A 185 GLN CA . 36059 1 990 . 1 1 81 81 GLN CB C 13 29.087 0.300 . 1 . . . . A 185 GLN CB . 36059 1 991 . 1 1 81 81 GLN CG C 13 32.893 0.300 . 1 . . . . A 185 GLN CG . 36059 1 992 . 1 1 81 81 GLN N N 15 125.683 0.300 . 1 . . . . A 185 GLN N . 36059 1 993 . 1 1 81 81 GLN NE2 N 15 111.163 0.300 . 1 . . . . A 185 GLN NE2 . 36059 1 994 . 1 1 82 82 PRO HA H 1 4.440 0.030 . 1 . . . . A 186 PRO HA . 36059 1 995 . 1 1 82 82 PRO HB2 H 1 2.269 0.030 . 2 . . . . A 186 PRO HB2 . 36059 1 996 . 1 1 82 82 PRO HB3 H 1 1.861 0.030 . 2 . . . . A 186 PRO HB3 . 36059 1 997 . 1 1 82 82 PRO HG2 H 1 1.947 0.030 . 2 . . . . A 186 PRO HG2 . 36059 1 998 . 1 1 82 82 PRO HG3 H 1 1.872 0.030 . 2 . . . . A 186 PRO HG3 . 36059 1 999 . 1 1 82 82 PRO HD2 H 1 3.793 0.030 . 2 . . . . A 186 PRO HD2 . 36059 1 1000 . 1 1 82 82 PRO HD3 H 1 3.619 0.030 . 2 . . . . A 186 PRO HD3 . 36059 1 1001 . 1 1 82 82 PRO C C 13 176.381 0.300 . 1 . . . . A 186 PRO C . 36059 1 1002 . 1 1 82 82 PRO CA C 13 62.692 0.300 . 1 . . . . A 186 PRO CA . 36059 1 1003 . 1 1 82 82 PRO CB C 13 32.898 0.300 . 1 . . . . A 186 PRO CB . 36059 1 1004 . 1 1 82 82 PRO CG C 13 27.292 0.300 . 1 . . . . A 186 PRO CG . 36059 1 1005 . 1 1 82 82 PRO CD C 13 51.000 0.300 . 1 . . . . A 186 PRO CD . 36059 1 1006 . 1 1 83 83 LYS H H 1 8.623 0.030 . 1 . . . . A 187 LYS H . 36059 1 1007 . 1 1 83 83 LYS HA H 1 3.968 0.030 . 1 . . . . A 187 LYS HA . 36059 1 1008 . 1 1 83 83 LYS HB2 H 1 1.518 0.030 . 2 . . . . A 187 LYS HB2 . 36059 1 1009 . 1 1 83 83 LYS HB3 H 1 1.596 0.030 . 2 . . . . A 187 LYS HB3 . 36059 1 1010 . 1 1 83 83 LYS HG2 H 1 1.205 0.030 . 1 . . . . A 187 LYS HG2 . 36059 1 1011 . 1 1 83 83 LYS HG3 H 1 1.205 0.030 . 1 . . . . A 187 LYS HG3 . 36059 1 1012 . 1 1 83 83 LYS HD2 H 1 1.491 0.030 . 1 . . . . A 187 LYS HD2 . 36059 1 1013 . 1 1 83 83 LYS HD3 H 1 1.491 0.030 . 1 . . . . A 187 LYS HD3 . 36059 1 1014 . 1 1 83 83 LYS HE2 H 1 2.761 0.030 . 1 . . . . A 187 LYS HE2 . 36059 1 1015 . 1 1 83 83 LYS HE3 H 1 2.761 0.030 . 1 . . . . A 187 LYS HE3 . 36059 1 1016 . 1 1 83 83 LYS C C 13 177.320 0.300 . 1 . . . . A 187 LYS C . 36059 1 1017 . 1 1 83 83 LYS CA C 13 58.573 0.300 . 1 . . . . A 187 LYS CA . 36059 1 1018 . 1 1 83 83 LYS CB C 13 32.674 0.300 . 1 . . . . A 187 LYS CB . 36059 1 1019 . 1 1 83 83 LYS CG C 13 24.856 0.300 . 1 . . . . A 187 LYS CG . 36059 1 1020 . 1 1 83 83 LYS CD C 13 29.249 0.300 . 1 . . . . A 187 LYS CD . 36059 1 1021 . 1 1 83 83 LYS CE C 13 41.912 0.300 . 1 . . . . A 187 LYS CE . 36059 1 1022 . 1 1 83 83 LYS N N 15 123.565 0.300 . 1 . . . . A 187 LYS N . 36059 1 1023 . 1 1 84 84 GLU H H 1 8.814 0.030 . 1 . . . . A 188 GLU H . 36059 1 1024 . 1 1 84 84 GLU HA H 1 4.143 0.030 . 1 . . . . A 188 GLU HA . 36059 1 1025 . 1 1 84 84 GLU HB2 H 1 1.941 0.030 . 2 . . . . A 188 GLU HB2 . 36059 1 1026 . 1 1 84 84 GLU HB3 H 1 1.881 0.030 . 2 . . . . A 188 GLU HB3 . 36059 1 1027 . 1 1 84 84 GLU HG2 H 1 2.201 0.030 . 1 . . . . A 188 GLU HG2 . 36059 1 1028 . 1 1 84 84 GLU HG3 H 1 2.201 0.030 . 1 . . . . A 188 GLU HG3 . 36059 1 1029 . 1 1 84 84 GLU C C 13 176.687 0.300 . 1 . . . . A 188 GLU C . 36059 1 1030 . 1 1 84 84 GLU CA C 13 57.453 0.300 . 1 . . . . A 188 GLU CA . 36059 1 1031 . 1 1 84 84 GLU CB C 13 29.614 0.300 . 1 . . . . A 188 GLU CB . 36059 1 1032 . 1 1 84 84 GLU CG C 13 36.291 0.300 . 1 . . . . A 188 GLU CG . 36059 1 1033 . 1 1 84 84 GLU N N 15 119.942 0.300 . 1 . . . . A 188 GLU N . 36059 1 1034 . 1 1 85 85 VAL H H 1 7.758 0.030 . 1 . . . . A 189 VAL H . 36059 1 1035 . 1 1 85 85 VAL HA H 1 4.037 0.030 . 1 . . . . A 189 VAL HA . 36059 1 1036 . 1 1 85 85 VAL HB H 1 2.011 0.030 . 1 . . . . A 189 VAL HB . 36059 1 1037 . 1 1 85 85 VAL HG11 H 1 0.879 0.030 . 2 . . . . A 189 VAL HG11 . 36059 1 1038 . 1 1 85 85 VAL HG12 H 1 0.879 0.030 . 2 . . . . A 189 VAL HG12 . 36059 1 1039 . 1 1 85 85 VAL HG13 H 1 0.879 0.030 . 2 . . . . A 189 VAL HG13 . 36059 1 1040 . 1 1 85 85 VAL HG21 H 1 0.832 0.030 . 2 . . . . A 189 VAL HG21 . 36059 1 1041 . 1 1 85 85 VAL HG22 H 1 0.832 0.030 . 2 . . . . A 189 VAL HG22 . 36059 1 1042 . 1 1 85 85 VAL HG23 H 1 0.832 0.030 . 2 . . . . A 189 VAL HG23 . 36059 1 1043 . 1 1 85 85 VAL C C 13 176.104 0.300 . 1 . . . . A 189 VAL C . 36059 1 1044 . 1 1 85 85 VAL CA C 13 62.472 0.300 . 1 . . . . A 189 VAL CA . 36059 1 1045 . 1 1 85 85 VAL CB C 13 32.468 0.300 . 1 . . . . A 189 VAL CB . 36059 1 1046 . 1 1 85 85 VAL CG1 C 13 20.903 0.300 . 2 . . . . A 189 VAL CG1 . 36059 1 1047 . 1 1 85 85 VAL CG2 C 13 20.978 0.300 . 2 . . . . A 189 VAL CG2 . 36059 1 1048 . 1 1 85 85 VAL N N 15 119.032 0.300 . 1 . . . . A 189 VAL N . 36059 1 1049 . 1 1 86 86 MET H H 1 7.875 0.030 . 1 . . . . A 190 MET H . 36059 1 1050 . 1 1 86 86 MET HA H 1 4.377 0.030 . 1 . . . . A 190 MET HA . 36059 1 1051 . 1 1 86 86 MET HB2 H 1 2.007 0.030 . 2 . . . . A 190 MET HB2 . 36059 1 1052 . 1 1 86 86 MET HB3 H 1 1.860 0.030 . 2 . . . . A 190 MET HB3 . 36059 1 1053 . 1 1 86 86 MET HG2 H 1 2.214 0.030 . 1 . . . . A 190 MET HG2 . 36059 1 1054 . 1 1 86 86 MET HG3 H 1 2.214 0.030 . 1 . . . . A 190 MET HG3 . 36059 1 1055 . 1 1 86 86 MET HE1 H 1 1.577 0.030 . 1 . . . . A 190 MET HE1 . 36059 1 1056 . 1 1 86 86 MET HE2 H 1 1.577 0.030 . 1 . . . . A 190 MET HE2 . 36059 1 1057 . 1 1 86 86 MET HE3 H 1 1.577 0.030 . 1 . . . . A 190 MET HE3 . 36059 1 1058 . 1 1 86 86 MET C C 13 176.102 0.300 . 1 . . . . A 190 MET C . 36059 1 1059 . 1 1 86 86 MET CA C 13 55.101 0.300 . 1 . . . . A 190 MET CA . 36059 1 1060 . 1 1 86 86 MET CB C 13 32.568 0.300 . 1 . . . . A 190 MET CB . 36059 1 1061 . 1 1 86 86 MET CG C 13 31.644 0.300 . 1 . . . . A 190 MET CG . 36059 1 1062 . 1 1 86 86 MET CE C 13 16.180 0.300 . 1 . . . . A 190 MET CE . 36059 1 1063 . 1 1 86 86 MET N N 15 121.889 0.300 . 1 . . . . A 190 MET N . 36059 1 1064 . 1 1 87 87 SER H H 1 8.204 0.030 . 1 . . . . A 191 SER H . 36059 1 1065 . 1 1 87 87 SER HA H 1 4.714 0.030 . 1 . . . . A 191 SER HA . 36059 1 1066 . 1 1 87 87 SER HB2 H 1 3.783 0.030 . 1 . . . . A 191 SER HB2 . 36059 1 1067 . 1 1 87 87 SER HB3 H 1 3.783 0.030 . 1 . . . . A 191 SER HB3 . 36059 1 1068 . 1 1 87 87 SER CA C 13 56.200 0.300 . 1 . . . . A 191 SER CA . 36059 1 1069 . 1 1 87 87 SER CB C 13 63.305 0.300 . 1 . . . . A 191 SER CB . 36059 1 1070 . 1 1 87 87 SER N N 15 117.267 0.300 . 1 . . . . A 191 SER N . 36059 1 1071 . 1 1 88 88 PRO HA H 1 4.470 0.030 . 1 . . . . A 192 PRO HA . 36059 1 1072 . 1 1 88 88 PRO HB2 H 1 1.920 0.030 . 2 . . . . A 192 PRO HB2 . 36059 1 1073 . 1 1 88 88 PRO HB3 H 1 2.290 0.030 . 2 . . . . A 192 PRO HB3 . 36059 1 1074 . 1 1 88 88 PRO HG2 H 1 1.993 0.030 . 1 . . . . A 192 PRO HG2 . 36059 1 1075 . 1 1 88 88 PRO HG3 H 1 1.993 0.030 . 1 . . . . A 192 PRO HG3 . 36059 1 1076 . 1 1 88 88 PRO HD2 H 1 3.703 0.030 . 1 . . . . A 192 PRO HD2 . 36059 1 1077 . 1 1 88 88 PRO HD3 H 1 3.703 0.030 . 1 . . . . A 192 PRO HD3 . 36059 1 1078 . 1 1 88 88 PRO C C 13 177.441 0.300 . 1 . . . . A 192 PRO C . 36059 1 1079 . 1 1 88 88 PRO CA C 13 63.554 0.300 . 1 . . . . A 192 PRO CA . 36059 1 1080 . 1 1 88 88 PRO CB C 13 32.106 0.300 . 1 . . . . A 192 PRO CB . 36059 1 1081 . 1 1 88 88 PRO CG C 13 27.354 0.300 . 1 . . . . A 192 PRO CG . 36059 1 1082 . 1 1 88 88 PRO CD C 13 50.712 0.300 . 1 . . . . A 192 PRO CD . 36059 1 1083 . 1 1 89 89 THR H H 1 8.176 0.030 . 1 . . . . A 193 THR H . 36059 1 1084 . 1 1 89 89 THR HA H 1 4.308 0.030 . 1 . . . . A 193 THR HA . 36059 1 1085 . 1 1 89 89 THR HB H 1 4.238 0.030 . 1 . . . . A 193 THR HB . 36059 1 1086 . 1 1 89 89 THR C C 13 175.375 0.300 . 1 . . . . A 193 THR C . 36059 1 1087 . 1 1 89 89 THR CA C 13 61.996 0.300 . 1 . . . . A 193 THR CA . 36059 1 1088 . 1 1 89 89 THR CB C 13 69.731 0.300 . 1 . . . . A 193 THR CB . 36059 1 1089 . 1 1 89 89 THR CG2 C 13 21.584 0.300 . 1 . . . . A 193 THR CG2 . 36059 1 1090 . 1 1 89 89 THR N N 15 113.060 0.300 . 1 . . . . A 193 THR N . 36059 1 1091 . 1 1 90 90 GLY H H 1 8.302 0.030 . 1 . . . . A 194 GLY H . 36059 1 1092 . 1 1 90 90 GLY HA2 H 1 3.972 0.030 . 1 . . . . A 194 GLY HA2 . 36059 1 1093 . 1 1 90 90 GLY HA3 H 1 3.972 0.030 . 1 . . . . A 194 GLY HA3 . 36059 1 1094 . 1 1 90 90 GLY C C 13 174.337 0.300 . 1 . . . . A 194 GLY C . 36059 1 1095 . 1 1 90 90 GLY CA C 13 45.540 0.300 . 1 . . . . A 194 GLY CA . 36059 1 1096 . 1 1 90 90 GLY N N 15 111.151 0.300 . 1 . . . . A 194 GLY N . 36059 1 1097 . 1 1 91 91 SER H H 1 8.170 0.030 . 1 . . . . A 195 SER H . 36059 1 1098 . 1 1 91 91 SER C C 13 174.431 0.300 . 1 . . . . A 195 SER C . 36059 1 1099 . 1 1 91 91 SER CA C 13 58.337 0.300 . 1 . . . . A 195 SER CA . 36059 1 1100 . 1 1 91 91 SER CB C 13 63.965 0.300 . 1 . . . . A 195 SER CB . 36059 1 1101 . 1 1 91 91 SER N N 15 115.702 0.300 . 1 . . . . A 195 SER N . 36059 1 1102 . 1 1 92 92 ALA H H 1 8.331 0.030 . 1 . . . . A 196 ALA H . 36059 1 1103 . 1 1 92 92 ALA HA H 1 4.309 0.030 . 1 . . . . A 196 ALA HA . 36059 1 1104 . 1 1 92 92 ALA HB1 H 1 1.366 0.030 . 1 . . . . A 196 ALA HB1 . 36059 1 1105 . 1 1 92 92 ALA HB2 H 1 1.366 0.030 . 1 . . . . A 196 ALA HB2 . 36059 1 1106 . 1 1 92 92 ALA HB3 H 1 1.366 0.030 . 1 . . . . A 196 ALA HB3 . 36059 1 1107 . 1 1 92 92 ALA C C 13 177.738 0.300 . 1 . . . . A 196 ALA C . 36059 1 1108 . 1 1 92 92 ALA CA C 13 52.764 0.300 . 1 . . . . A 196 ALA CA . 36059 1 1109 . 1 1 92 92 ALA CB C 13 19.112 0.300 . 1 . . . . A 196 ALA CB . 36059 1 1110 . 1 1 92 92 ALA N N 15 125.865 0.300 . 1 . . . . A 196 ALA N . 36059 1 1111 . 1 1 93 93 ARG H H 1 8.221 0.030 . 1 . . . . A 197 ARG H . 36059 1 1112 . 1 1 93 93 ARG C C 13 176.894 0.300 . 1 . . . . A 197 ARG C . 36059 1 1113 . 1 1 93 93 ARG CA C 13 56.323 0.300 . 1 . . . . A 197 ARG CA . 36059 1 1114 . 1 1 93 93 ARG CB C 13 30.705 0.300 . 1 . . . . A 197 ARG CB . 36059 1 1115 . 1 1 93 93 ARG CG C 13 26.930 0.300 . 1 . . . . A 197 ARG CG . 36059 1 1116 . 1 1 93 93 ARG CD C 13 43.561 0.300 . 1 . . . . A 197 ARG CD . 36059 1 1117 . 1 1 93 93 ARG N N 15 120.018 0.300 . 1 . . . . A 197 ARG N . 36059 1 1118 . 1 1 94 94 GLY H H 1 8.354 0.030 . 1 . . . . A 198 GLY H . 36059 1 1119 . 1 1 94 94 GLY C C 13 173.859 0.300 . 1 . . . . A 198 GLY C . 36059 1 1120 . 1 1 94 94 GLY CA C 13 45.328 0.300 . 1 . . . . A 198 GLY CA . 36059 1 1121 . 1 1 94 94 GLY N N 15 109.984 0.300 . 1 . . . . A 198 GLY N . 36059 1 1122 . 1 1 95 95 ARG H H 1 8.145 0.030 . 1 . . . . A 199 ARG H . 36059 1 1123 . 1 1 95 95 ARG C C 13 175.570 0.300 . 1 . . . . A 199 ARG C . 36059 1 1124 . 1 1 95 95 ARG CA C 13 55.933 0.300 . 1 . . . . A 199 ARG CA . 36059 1 1125 . 1 1 95 95 ARG CB C 13 30.927 0.300 . 1 . . . . A 199 ARG CB . 36059 1 1126 . 1 1 95 95 ARG CG C 13 26.951 0.300 . 1 . . . . A 199 ARG CG . 36059 1 1127 . 1 1 95 95 ARG CD C 13 43.307 0.300 . 1 . . . . A 199 ARG CD . 36059 1 1128 . 1 1 95 95 ARG N N 15 120.825 0.300 . 1 . . . . A 199 ARG N . 36059 1 stop_ save_