data_25041 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25041 _Entry.Title ; Structural Investigation of hnRNP L bound to RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-24 _Entry.Accession_date 2014-06-24 _Entry.Last_release_date 2015-12-21 _Entry.Original_release_date 2015-12-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details 'First RNA Recognition Motif Domain of hnRNP L bound to CACACA RNA' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Markus Blatter . . . 25041 2 Frederic Allain . . . 25041 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25041 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein/RNA Complex' . 25041 RRM . 25041 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25041 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 25041 '15N chemical shifts' 102 25041 '1H chemical shifts' 735 25041 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 . . 2015-12-21 . original BMRB . 25041 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25039 'Second RNA Recognition Motif Domain of hnRNP L' 25041 BMRB 25040 'most two C-terminal RNA Recognition Motif Domain of hnRNP L' 25041 BMRB 25042 'Second RNA Recognition Motif Domain of hnRNP L bound to ACACAC RNA' 25041 BMRB 25043 'Most two C-terminal RNA Recognition Motif Domain of hnRNP L bound to two equivalents ACACA RNA' 25041 PDB 2MQO 'BMRB Entry Tracking System' 25041 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25041 _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 ; First RNA Recognition Motif Domain of hnRNP L bound to CACACA RNA ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Markus Blatter . . . 25041 1 2 Frederic Allain . . . 25041 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25041 _Assembly.ID 1 _Assembly.Name 'First RNA Recognition Motif Domain of hnRNP L bound to CACACA RNA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . yes native no no . . . 25041 1 2 "RNA (5'-R(*CP*AP*CP*AP*CP*A)-3')" 2 $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') B . yes native no no . . . 25041 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25041 _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 ; GENYDDPHKTPASPVVHIRG LIDGVVEADLVEALQEFGPI SYVVVMPKKRQALVEFEDVL GACNAVNYAADNQIYIAGHP AFVNYSTSQKISRPGDSDDS RSVNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11386.674 _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 84 GLY . 25041 1 2 85 GLU . 25041 1 3 86 ASN . 25041 1 4 87 TYR . 25041 1 5 88 ASP . 25041 1 6 89 ASP . 25041 1 7 90 PRO . 25041 1 8 91 HIS . 25041 1 9 92 LYS . 25041 1 10 93 THR . 25041 1 11 94 PRO . 25041 1 12 95 ALA . 25041 1 13 96 SER . 25041 1 14 97 PRO . 25041 1 15 98 VAL . 25041 1 16 99 VAL . 25041 1 17 100 HIS . 25041 1 18 101 ILE . 25041 1 19 102 ARG . 25041 1 20 103 GLY . 25041 1 21 104 LEU . 25041 1 22 105 ILE . 25041 1 23 106 ASP . 25041 1 24 107 GLY . 25041 1 25 108 VAL . 25041 1 26 109 VAL . 25041 1 27 110 GLU . 25041 1 28 111 ALA . 25041 1 29 112 ASP . 25041 1 30 113 LEU . 25041 1 31 114 VAL . 25041 1 32 115 GLU . 25041 1 33 116 ALA . 25041 1 34 117 LEU . 25041 1 35 118 GLN . 25041 1 36 119 GLU . 25041 1 37 120 PHE . 25041 1 38 121 GLY . 25041 1 39 122 PRO . 25041 1 40 123 ILE . 25041 1 41 124 SER . 25041 1 42 125 TYR . 25041 1 43 126 VAL . 25041 1 44 127 VAL . 25041 1 45 128 VAL . 25041 1 46 129 MET . 25041 1 47 130 PRO . 25041 1 48 131 LYS . 25041 1 49 132 LYS . 25041 1 50 133 ARG . 25041 1 51 134 GLN . 25041 1 52 135 ALA . 25041 1 53 136 LEU . 25041 1 54 137 VAL . 25041 1 55 138 GLU . 25041 1 56 139 PHE . 25041 1 57 140 GLU . 25041 1 58 141 ASP . 25041 1 59 142 VAL . 25041 1 60 143 LEU . 25041 1 61 144 GLY . 25041 1 62 145 ALA . 25041 1 63 146 CYS . 25041 1 64 147 ASN . 25041 1 65 148 ALA . 25041 1 66 149 VAL . 25041 1 67 150 ASN . 25041 1 68 151 TYR . 25041 1 69 152 ALA . 25041 1 70 153 ALA . 25041 1 71 154 ASP . 25041 1 72 155 ASN . 25041 1 73 156 GLN . 25041 1 74 157 ILE . 25041 1 75 158 TYR . 25041 1 76 159 ILE . 25041 1 77 160 ALA . 25041 1 78 161 GLY . 25041 1 79 162 HIS . 25041 1 80 163 PRO . 25041 1 81 164 ALA . 25041 1 82 165 PHE . 25041 1 83 166 VAL . 25041 1 84 167 ASN . 25041 1 85 168 TYR . 25041 1 86 169 SER . 25041 1 87 170 THR . 25041 1 88 171 SER . 25041 1 89 172 GLN . 25041 1 90 173 LYS . 25041 1 91 174 ILE . 25041 1 92 175 SER . 25041 1 93 176 ARG . 25041 1 94 177 PRO . 25041 1 95 178 GLY . 25041 1 96 179 ASP . 25041 1 97 180 SER . 25041 1 98 181 ASP . 25041 1 99 182 ASP . 25041 1 100 183 SER . 25041 1 101 184 ARG . 25041 1 102 185 SER . 25041 1 103 186 VAL . 25041 1 104 187 ASN . 25041 1 105 188 SER . 25041 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 25041 1 . GLU 2 2 25041 1 . ASN 3 3 25041 1 . TYR 4 4 25041 1 . ASP 5 5 25041 1 . ASP 6 6 25041 1 . PRO 7 7 25041 1 . HIS 8 8 25041 1 . LYS 9 9 25041 1 . THR 10 10 25041 1 . PRO 11 11 25041 1 . ALA 12 12 25041 1 . SER 13 13 25041 1 . PRO 14 14 25041 1 . VAL 15 15 25041 1 . VAL 16 16 25041 1 . HIS 17 17 25041 1 . ILE 18 18 25041 1 . ARG 19 19 25041 1 . GLY 20 20 25041 1 . LEU 21 21 25041 1 . ILE 22 22 25041 1 . ASP 23 23 25041 1 . GLY 24 24 25041 1 . VAL 25 25 25041 1 . VAL 26 26 25041 1 . GLU 27 27 25041 1 . ALA 28 28 25041 1 . ASP 29 29 25041 1 . LEU 30 30 25041 1 . VAL 31 31 25041 1 . GLU 32 32 25041 1 . ALA 33 33 25041 1 . LEU 34 34 25041 1 . GLN 35 35 25041 1 . GLU 36 36 25041 1 . PHE 37 37 25041 1 . GLY 38 38 25041 1 . PRO 39 39 25041 1 . ILE 40 40 25041 1 . SER 41 41 25041 1 . TYR 42 42 25041 1 . VAL 43 43 25041 1 . VAL 44 44 25041 1 . VAL 45 45 25041 1 . MET 46 46 25041 1 . PRO 47 47 25041 1 . LYS 48 48 25041 1 . LYS 49 49 25041 1 . ARG 50 50 25041 1 . GLN 51 51 25041 1 . ALA 52 52 25041 1 . LEU 53 53 25041 1 . VAL 54 54 25041 1 . GLU 55 55 25041 1 . PHE 56 56 25041 1 . GLU 57 57 25041 1 . ASP 58 58 25041 1 . VAL 59 59 25041 1 . LEU 60 60 25041 1 . GLY 61 61 25041 1 . ALA 62 62 25041 1 . CYS 63 63 25041 1 . ASN 64 64 25041 1 . ALA 65 65 25041 1 . VAL 66 66 25041 1 . ASN 67 67 25041 1 . TYR 68 68 25041 1 . ALA 69 69 25041 1 . ALA 70 70 25041 1 . ASP 71 71 25041 1 . ASN 72 72 25041 1 . GLN 73 73 25041 1 . ILE 74 74 25041 1 . TYR 75 75 25041 1 . ILE 76 76 25041 1 . ALA 77 77 25041 1 . GLY 78 78 25041 1 . HIS 79 79 25041 1 . PRO 80 80 25041 1 . ALA 81 81 25041 1 . PHE 82 82 25041 1 . VAL 83 83 25041 1 . ASN 84 84 25041 1 . TYR 85 85 25041 1 . SER 86 86 25041 1 . THR 87 87 25041 1 . SER 88 88 25041 1 . GLN 89 89 25041 1 . LYS 90 90 25041 1 . ILE 91 91 25041 1 . SER 92 92 25041 1 . ARG 93 93 25041 1 . PRO 94 94 25041 1 . GLY 95 95 25041 1 . ASP 96 96 25041 1 . SER 97 97 25041 1 . ASP 98 98 25041 1 . ASP 99 99 25041 1 . SER 100 100 25041 1 . ARG 101 101 25041 1 . SER 102 102 25041 1 . VAL 103 103 25041 1 . ASN 104 104 25041 1 . SER 105 105 25041 1 stop_ save_ save_RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') _Entity.Entry_ID 25041 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') _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 ; CACACA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1858.218 _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 1 C . 25041 2 2 2 A . 25041 2 3 3 C . 25041 2 4 4 A . 25041 2 5 5 C . 25041 2 6 6 A . 25041 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 . C 1 1 25041 2 . A 2 2 25041 2 . C 3 3 25041 2 . A 4 4 25041 2 . C 5 5 25041 2 . A 6 6 25041 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 25041 _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 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 25041 1 2 2 $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25041 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 25041 _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' . . . Escherichia coli . . . . . . pTYB11 . . . 25041 1 2 2 $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . 25041 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25041 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 25041 1 2 "RNA (5'-R(*CP*AP*CP*AP*CP*A)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') . . 2 . . mM . . . . 25041 1 3 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 25041 1 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 25041 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25041 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25041 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25041 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25041 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 25041 2 2 "RNA (5'-R(*CP*AP*CP*AP*CP*A)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') . . 2 . . mM . . . . 25041 2 3 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 25041 2 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 25041 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25041 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25041 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25041 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25041 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 25041 3 2 "RNA (5'-R(*CP*AP*CP*AP*CP*A)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') . . 2 . . mM . . . . 25041 3 3 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 25041 3 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 25041 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25041 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25041 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25041 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 25041 4 2 "RNA (5'-R(*CP*AP*CP*AP*CP*A)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') . . 2 . . mM . . . . 25041 4 3 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 25041 4 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 25041 4 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25041 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25041 4 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 25041 _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' 0.1 . M 25041 1 pH 6.5 . pH 25041 1 pressure 1 . atm 25041 1 temperature 310.15 . K 25041 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25041 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25041 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25041 1 processing 25041 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25041 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25041 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25041 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25041 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25041 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25041 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25041 _Software.ID 4 _Software.Name AMBER _Software.Version . _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' . . 25041 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25041 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25041 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25041 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25041 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 25041 1 2 spectrometer_2 Bruker Avance . 700 . . . 25041 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 25041 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25041 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25041 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25041 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25041 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25041 1 6 '3D F3-filtered-F2-edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25041 1 7 '2D F2-filtered NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25041 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25041 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25041 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25041 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25041 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25041 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 25041 1 2 '3D 1H-13C NOESY aliphatic' . . . 25041 1 3 '3D 1H-13C NOESY aromatic' . . . 25041 1 4 '2D 1H-1H NOESY' . . . 25041 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 25041 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU CA C 13 56.443 0.400 . 1 . . . . 85 GLU CA . 25041 1 2 . 1 1 2 2 GLU HA H 1 4.337 0.020 . 1 . . . . 85 GLU HA . 25041 1 3 . 1 1 2 2 GLU CB C 13 36.147 0.400 . 1 . . . . 85 GLU CB . 25041 1 4 . 1 1 2 2 GLU HB2 H 1 2.242 0.020 . 2 . . . . 85 GLU HB2 . 25041 1 5 . 1 1 2 2 GLU HB3 H 1 2.242 0.020 . 2 . . . . 85 GLU HB3 . 25041 1 6 . 1 1 2 2 GLU CG C 13 30.706 0.400 . 1 . . . . 85 GLU CG . 25041 1 7 . 1 1 2 2 GLU HG2 H 1 1.947 0.020 . 2 . . . . 85 GLU HG2 . 25041 1 8 . 1 1 2 2 GLU HG3 H 1 1.947 0.020 . 2 . . . . 85 GLU HG3 . 25041 1 9 . 1 1 3 3 ASN N N 15 119.553 0.400 . 1 . . . . 86 ASN N . 25041 1 10 . 1 1 3 3 ASN H H 1 8.495 0.020 . 1 . . . . 86 ASN H . 25041 1 11 . 1 1 3 3 ASN CA C 13 53.123 0.400 . 1 . . . . 86 ASN CA . 25041 1 12 . 1 1 3 3 ASN HA H 1 4.695 0.020 . 1 . . . . 86 ASN HA . 25041 1 13 . 1 1 3 3 ASN CB C 13 39.166 0.400 . 1 . . . . 86 ASN CB . 25041 1 14 . 1 1 3 3 ASN HB2 H 1 2.807 0.020 . 2 . . . . 86 ASN HB2 . 25041 1 15 . 1 1 3 3 ASN HB3 H 1 2.713 0.020 . 2 . . . . 86 ASN HB3 . 25041 1 16 . 1 1 3 3 ASN ND2 N 15 113.027 0.400 . 1 . . . . 86 ASN ND2 . 25041 1 17 . 1 1 3 3 ASN HD21 H 1 7.566 0.020 . 2 . . . . 86 ASN HD21 . 25041 1 18 . 1 1 3 3 ASN HD22 H 1 6.902 0.020 . 2 . . . . 86 ASN HD22 . 25041 1 19 . 1 1 4 4 TYR N N 15 121.015 0.400 . 1 . . . . 87 TYR N . 25041 1 20 . 1 1 4 4 TYR H H 1 8.163 0.020 . 1 . . . . 87 TYR H . 25041 1 21 . 1 1 4 4 TYR CA C 13 57.866 0.400 . 1 . . . . 87 TYR CA . 25041 1 22 . 1 1 4 4 TYR HA H 1 4.579 0.020 . 1 . . . . 87 TYR HA . 25041 1 23 . 1 1 4 4 TYR CB C 13 38.711 0.400 . 1 . . . . 87 TYR CB . 25041 1 24 . 1 1 4 4 TYR HB2 H 1 3.109 0.020 . 2 . . . . 87 TYR HB2 . 25041 1 25 . 1 1 4 4 TYR HB3 H 1 2.934 0.020 . 2 . . . . 87 TYR HB3 . 25041 1 26 . 1 1 4 4 TYR CD1 C 13 133.339 0.400 . 1 . . . . 87 TYR CD1 . 25041 1 27 . 1 1 4 4 TYR HD1 H 1 7.135 0.020 . 1 . . . . 87 TYR HD1 . 25041 1 28 . 1 1 4 4 TYR CE1 C 13 118.166 0.400 . 1 . . . . 87 TYR CE1 . 25041 1 29 . 1 1 4 4 TYR HE1 H 1 6.866 0.020 . 1 . . . . 87 TYR HE1 . 25041 1 30 . 1 1 4 4 TYR HE2 H 1 6.866 0.020 . 1 . . . . 87 TYR HE2 . 25041 1 31 . 1 1 4 4 TYR HD2 H 1 7.135 0.020 . 1 . . . . 87 TYR HD2 . 25041 1 32 . 1 1 5 5 ASP N N 15 121.959 0.400 . 1 . . . . 88 ASP N . 25041 1 33 . 1 1 5 5 ASP H H 1 8.200 0.020 . 1 . . . . 88 ASP H . 25041 1 34 . 1 1 5 5 ASP CA C 13 54.121 0.400 . 1 . . . . 88 ASP CA . 25041 1 35 . 1 1 5 5 ASP HA H 1 4.580 0.020 . 1 . . . . 88 ASP HA . 25041 1 36 . 1 1 5 5 ASP CB C 13 41.370 0.400 . 1 . . . . 88 ASP CB . 25041 1 37 . 1 1 5 5 ASP HB2 H 1 2.628 0.020 . 2 . . . . 88 ASP HB2 . 25041 1 38 . 1 1 5 5 ASP HB3 H 1 2.573 0.020 . 2 . . . . 88 ASP HB3 . 25041 1 39 . 1 1 6 6 ASP N N 15 121.753 0.400 . 1 . . . . 89 ASP N . 25041 1 40 . 1 1 6 6 ASP H H 1 8.023 0.020 . 1 . . . . 89 ASP H . 25041 1 41 . 1 1 6 6 ASP CA C 13 51.936 0.400 . 1 . . . . 89 ASP CA . 25041 1 42 . 1 1 6 6 ASP HA H 1 4.816 0.020 . 1 . . . . 89 ASP HA . 25041 1 43 . 1 1 6 6 ASP CB C 13 41.965 0.400 . 1 . . . . 89 ASP CB . 25041 1 44 . 1 1 6 6 ASP HB2 H 1 2.796 0.020 . 2 . . . . 89 ASP HB2 . 25041 1 45 . 1 1 6 6 ASP HB3 H 1 2.618 0.020 . 2 . . . . 89 ASP HB3 . 25041 1 46 . 1 1 7 7 PRO CD C 13 50.890 0.400 . 1 . . . . 90 PRO CD . 25041 1 47 . 1 1 7 7 PRO CA C 13 63.806 0.400 . 1 . . . . 90 PRO CA . 25041 1 48 . 1 1 7 7 PRO HA H 1 4.396 0.020 . 1 . . . . 90 PRO HA . 25041 1 49 . 1 1 7 7 PRO CB C 13 32.114 0.400 . 1 . . . . 90 PRO CB . 25041 1 50 . 1 1 7 7 PRO HB2 H 1 2.217 0.020 . 2 . . . . 90 PRO HB2 . 25041 1 51 . 1 1 7 7 PRO HB3 H 1 1.700 0.020 . 2 . . . . 90 PRO HB3 . 25041 1 52 . 1 1 7 7 PRO CG C 13 26.892 0.400 . 1 . . . . 90 PRO CG . 25041 1 53 . 1 1 7 7 PRO HG2 H 1 1.972 0.020 . 2 . . . . 90 PRO HG2 . 25041 1 54 . 1 1 7 7 PRO HG3 H 1 1.660 0.020 . 2 . . . . 90 PRO HG3 . 25041 1 55 . 1 1 7 7 PRO HD2 H 1 3.847 0.020 . 2 . . . . 90 PRO HD2 . 25041 1 56 . 1 1 7 7 PRO HD3 H 1 3.817 0.020 . 2 . . . . 90 PRO HD3 . 25041 1 57 . 1 1 8 8 HIS N N 15 116.811 0.400 . 1 . . . . 91 HIS N . 25041 1 58 . 1 1 8 8 HIS H H 1 8.458 0.020 . 1 . . . . 91 HIS H . 25041 1 59 . 1 1 8 8 HIS CA C 13 55.806 0.400 . 1 . . . . 91 HIS CA . 25041 1 60 . 1 1 8 8 HIS HA H 1 4.578 0.020 . 1 . . . . 91 HIS HA . 25041 1 61 . 1 1 8 8 HIS CB C 13 28.864 0.400 . 1 . . . . 91 HIS CB . 25041 1 62 . 1 1 8 8 HIS HB2 H 1 3.157 0.020 . 2 . . . . 91 HIS HB2 . 25041 1 63 . 1 1 8 8 HIS HB3 H 1 3.204 0.020 . 2 . . . . 91 HIS HB3 . 25041 1 64 . 1 1 8 8 HIS CD2 C 13 119.755 0.400 . 1 . . . . 91 HIS CD2 . 25041 1 65 . 1 1 8 8 HIS CE1 C 13 137.089 0.400 . 1 . . . . 91 HIS CE1 . 25041 1 66 . 1 1 8 8 HIS HD2 H 1 7.115 0.020 . 1 . . . . 91 HIS HD2 . 25041 1 67 . 1 1 8 8 HIS HE1 H 1 7.615 0.020 . 1 . . . . 91 HIS HE1 . 25041 1 68 . 1 1 9 9 LYS N N 15 121.897 0.400 . 1 . . . . 92 LYS N . 25041 1 69 . 1 1 9 9 LYS H H 1 7.815 0.020 . 1 . . . . 92 LYS H . 25041 1 70 . 1 1 9 9 LYS CA C 13 56.337 0.400 . 1 . . . . 92 LYS CA . 25041 1 71 . 1 1 9 9 LYS HA H 1 4.475 0.020 . 1 . . . . 92 LYS HA . 25041 1 72 . 1 1 9 9 LYS CB C 13 32.840 0.400 . 1 . . . . 92 LYS CB . 25041 1 73 . 1 1 9 9 LYS HB2 H 1 1.922 0.020 . 2 . . . . 92 LYS HB2 . 25041 1 74 . 1 1 9 9 LYS HB3 H 1 1.805 0.020 . 2 . . . . 92 LYS HB3 . 25041 1 75 . 1 1 9 9 LYS CG C 13 24.809 0.400 . 1 . . . . 92 LYS CG . 25041 1 76 . 1 1 9 9 LYS HG2 H 1 1.477 0.020 . 2 . . . . 92 LYS HG2 . 25041 1 77 . 1 1 9 9 LYS HG3 H 1 1.410 0.020 . 2 . . . . 92 LYS HG3 . 25041 1 78 . 1 1 9 9 LYS CD C 13 29.115 0.400 . 1 . . . . 92 LYS CD . 25041 1 79 . 1 1 9 9 LYS HD2 H 1 1.754 0.020 . 2 . . . . 92 LYS HD2 . 25041 1 80 . 1 1 9 9 LYS HD3 H 1 1.754 0.020 . 2 . . . . 92 LYS HD3 . 25041 1 81 . 1 1 9 9 LYS CE C 13 42.253 0.400 . 1 . . . . 92 LYS CE . 25041 1 82 . 1 1 9 9 LYS HE2 H 1 3.052 0.020 . 2 . . . . 92 LYS HE2 . 25041 1 83 . 1 1 9 9 LYS HE3 H 1 3.052 0.020 . 2 . . . . 92 LYS HE3 . 25041 1 84 . 1 1 10 10 THR N N 15 120.350 0.400 . 1 . . . . 93 THR N . 25041 1 85 . 1 1 10 10 THR H H 1 8.226 0.020 . 1 . . . . 93 THR H . 25041 1 86 . 1 1 10 10 THR CB C 13 70.365 0.400 . 1 . . . . 93 THR CB . 25041 1 87 . 1 1 10 10 THR HB H 1 4.144 0.020 . 1 . . . . 93 THR HB . 25041 1 88 . 1 1 10 10 THR CG2 C 13 22.356 0.400 . 1 . . . . 93 THR CG2 . 25041 1 89 . 1 1 10 10 THR HG21 H 1 1.293 0.020 . 1 . . . . 93 THR HG21 . 25041 1 90 . 1 1 10 10 THR HG22 H 1 1.293 0.020 . 1 . . . . 93 THR HG22 . 25041 1 91 . 1 1 10 10 THR HG23 H 1 1.293 0.020 . 1 . . . . 93 THR HG23 . 25041 1 92 . 1 1 11 11 PRO CD C 13 51.298 0.400 . 1 . . . . 94 PRO CD . 25041 1 93 . 1 1 11 11 PRO CA C 13 62.408 0.400 . 1 . . . . 94 PRO CA . 25041 1 94 . 1 1 11 11 PRO HA H 1 4.315 0.020 . 1 . . . . 94 PRO HA . 25041 1 95 . 1 1 11 11 PRO CB C 13 32.495 0.400 . 1 . . . . 94 PRO CB . 25041 1 96 . 1 1 11 11 PRO HB2 H 1 2.262 0.020 . 1 . . . . 94 PRO HB2 . 25041 1 97 . 1 1 11 11 PRO HB3 H 1 1.816 0.020 . 1 . . . . 94 PRO HB3 . 25041 1 98 . 1 1 11 11 PRO CG C 13 27.342 0.400 . 1 . . . . 94 PRO CG . 25041 1 99 . 1 1 11 11 PRO HG2 H 1 1.968 0.020 . 2 . . . . 94 PRO HG2 . 25041 1 100 . 1 1 11 11 PRO HG3 H 1 1.968 0.020 . 2 . . . . 94 PRO HG3 . 25041 1 101 . 1 1 11 11 PRO HD2 H 1 3.884 0.020 . 2 . . . . 94 PRO HD2 . 25041 1 102 . 1 1 11 11 PRO HD3 H 1 3.698 0.020 . 2 . . . . 94 PRO HD3 . 25041 1 103 . 1 1 12 12 ALA N N 15 120.990 0.400 . 1 . . . . 95 ALA N . 25041 1 104 . 1 1 12 12 ALA H H 1 7.679 0.020 . 1 . . . . 95 ALA H . 25041 1 105 . 1 1 12 12 ALA CA C 13 52.252 0.400 . 1 . . . . 95 ALA CA . 25041 1 106 . 1 1 12 12 ALA HA H 1 1.892 0.020 . 1 . . . . 95 ALA HA . 25041 1 107 . 1 1 12 12 ALA CB C 13 18.854 0.400 . 1 . . . . 95 ALA CB . 25041 1 108 . 1 1 12 12 ALA HB1 H 1 0.846 0.020 . 1 . . . . 95 ALA HB1 . 25041 1 109 . 1 1 12 12 ALA HB2 H 1 0.846 0.020 . 1 . . . . 95 ALA HB2 . 25041 1 110 . 1 1 12 12 ALA HB3 H 1 0.846 0.020 . 1 . . . . 95 ALA HB3 . 25041 1 111 . 1 1 13 13 SER N N 15 115.479 0.400 . 1 . . . . 96 SER N . 25041 1 112 . 1 1 13 13 SER H H 1 6.506 0.020 . 1 . . . . 96 SER H . 25041 1 113 . 1 1 13 13 SER CA C 13 53.223 0.400 . 1 . . . . 96 SER CA . 25041 1 114 . 1 1 13 13 SER HA H 1 5.000 0.020 . 1 . . . . 96 SER HA . 25041 1 115 . 1 1 13 13 SER CB C 13 67.100 0.400 . 1 . . . . 96 SER CB . 25041 1 116 . 1 1 13 13 SER HB2 H 1 4.144 0.020 . 2 . . . . 96 SER HB2 . 25041 1 117 . 1 1 13 13 SER HB3 H 1 4.005 0.020 . 2 . . . . 96 SER HB3 . 25041 1 118 . 1 1 14 14 PRO CD C 13 50.671 0.400 . 1 . . . . 97 PRO CD . 25041 1 119 . 1 1 14 14 PRO CA C 13 64.634 0.400 . 1 . . . . 97 PRO CA . 25041 1 120 . 1 1 14 14 PRO HA H 1 4.626 0.020 . 1 . . . . 97 PRO HA . 25041 1 121 . 1 1 14 14 PRO CB C 13 32.074 0.400 . 1 . . . . 97 PRO CB . 25041 1 122 . 1 1 14 14 PRO HB2 H 1 2.345 0.020 . 2 . . . . 97 PRO HB2 . 25041 1 123 . 1 1 14 14 PRO HB3 H 1 2.345 0.020 . 2 . . . . 97 PRO HB3 . 25041 1 124 . 1 1 14 14 PRO CG C 13 27.702 0.400 . 1 . . . . 97 PRO CG . 25041 1 125 . 1 1 14 14 PRO HG2 H 1 2.180 0.020 . 2 . . . . 97 PRO HG2 . 25041 1 126 . 1 1 14 14 PRO HG3 H 1 2.068 0.020 . 2 . . . . 97 PRO HG3 . 25041 1 127 . 1 1 14 14 PRO HD2 H 1 3.866 0.020 . 1 . . . . 97 PRO HD2 . 25041 1 128 . 1 1 14 14 PRO HD3 H 1 3.684 0.020 . 1 . . . . 97 PRO HD3 . 25041 1 129 . 1 1 15 15 VAL N N 15 119.401 0.400 . 1 . . . . 98 VAL N . 25041 1 130 . 1 1 15 15 VAL H H 1 8.597 0.020 . 1 . . . . 98 VAL H . 25041 1 131 . 1 1 15 15 VAL CA C 13 60.668 0.400 . 1 . . . . 98 VAL CA . 25041 1 132 . 1 1 15 15 VAL HA H 1 5.061 0.020 . 1 . . . . 98 VAL HA . 25041 1 133 . 1 1 15 15 VAL CB C 13 31.697 0.400 . 1 . . . . 98 VAL CB . 25041 1 134 . 1 1 15 15 VAL HB H 1 2.194 0.020 . 1 . . . . 98 VAL HB . 25041 1 135 . 1 1 15 15 VAL CG1 C 13 23.278 0.400 . 1 . . . . 98 VAL CG1 . 25041 1 136 . 1 1 15 15 VAL HG11 H 1 0.801 0.020 . 2 . . . . 98 VAL HG11 . 25041 1 137 . 1 1 15 15 VAL HG12 H 1 0.801 0.020 . 2 . . . . 98 VAL HG12 . 25041 1 138 . 1 1 15 15 VAL HG13 H 1 0.801 0.020 . 2 . . . . 98 VAL HG13 . 25041 1 139 . 1 1 15 15 VAL CG2 C 13 21.824 0.400 . 1 . . . . 98 VAL CG2 . 25041 1 140 . 1 1 15 15 VAL HG21 H 1 0.700 0.020 . 2 . . . . 98 VAL HG21 . 25041 1 141 . 1 1 15 15 VAL HG22 H 1 0.700 0.020 . 2 . . . . 98 VAL HG22 . 25041 1 142 . 1 1 15 15 VAL HG23 H 1 0.700 0.020 . 2 . . . . 98 VAL HG23 . 25041 1 143 . 1 1 16 16 VAL N N 15 120.586 0.400 . 1 . . . . 99 VAL N . 25041 1 144 . 1 1 16 16 VAL H H 1 9.495 0.020 . 1 . . . . 99 VAL H . 25041 1 145 . 1 1 16 16 VAL CA C 13 59.503 0.400 . 1 . . . . 99 VAL CA . 25041 1 146 . 1 1 16 16 VAL HA H 1 4.981 0.020 . 1 . . . . 99 VAL HA . 25041 1 147 . 1 1 16 16 VAL CB C 13 33.850 0.400 . 1 . . . . 99 VAL CB . 25041 1 148 . 1 1 16 16 VAL HB H 1 2.159 0.020 . 1 . . . . 99 VAL HB . 25041 1 149 . 1 1 16 16 VAL CG1 C 13 22.402 0.400 . 1 . . . . 99 VAL CG1 . 25041 1 150 . 1 1 16 16 VAL HG11 H 1 0.967 0.020 . 2 . . . . 99 VAL HG11 . 25041 1 151 . 1 1 16 16 VAL HG12 H 1 0.967 0.020 . 2 . . . . 99 VAL HG12 . 25041 1 152 . 1 1 16 16 VAL HG13 H 1 0.967 0.020 . 2 . . . . 99 VAL HG13 . 25041 1 153 . 1 1 16 16 VAL CG2 C 13 21.259 0.400 . 1 . . . . 99 VAL CG2 . 25041 1 154 . 1 1 16 16 VAL HG21 H 1 1.130 0.020 . 2 . . . . 99 VAL HG21 . 25041 1 155 . 1 1 16 16 VAL HG22 H 1 1.130 0.020 . 2 . . . . 99 VAL HG22 . 25041 1 156 . 1 1 16 16 VAL HG23 H 1 1.130 0.020 . 2 . . . . 99 VAL HG23 . 25041 1 157 . 1 1 17 17 HIS N N 15 125.307 0.400 . 1 . . . . 100 HIS N . 25041 1 158 . 1 1 17 17 HIS H H 1 9.409 0.020 . 1 . . . . 100 HIS H . 25041 1 159 . 1 1 17 17 HIS CB C 13 34.079 0.400 . 1 . . . . 100 HIS CB . 25041 1 160 . 1 1 17 17 HIS HB2 H 1 2.742 0.020 . 1 . . . . 100 HIS HB2 . 25041 1 161 . 1 1 17 17 HIS HB3 H 1 2.925 0.020 . 1 . . . . 100 HIS HB3 . 25041 1 162 . 1 1 17 17 HIS CD2 C 13 120.124 0.400 . 1 . . . . 100 HIS CD2 . 25041 1 163 . 1 1 17 17 HIS CE1 C 13 136.830 0.400 . 1 . . . . 100 HIS CE1 . 25041 1 164 . 1 1 17 17 HIS HD2 H 1 7.263 0.020 . 1 . . . . 100 HIS HD2 . 25041 1 165 . 1 1 17 17 HIS HE1 H 1 8.355 0.020 . 1 . . . . 100 HIS HE1 . 25041 1 166 . 1 1 18 18 ILE N N 15 128.541 0.400 . 1 . . . . 101 ILE N . 25041 1 167 . 1 1 18 18 ILE H H 1 8.897 0.020 . 1 . . . . 101 ILE H . 25041 1 168 . 1 1 18 18 ILE CA C 13 59.028 0.400 . 1 . . . . 101 ILE CA . 25041 1 169 . 1 1 18 18 ILE HA H 1 5.065 0.020 . 1 . . . . 101 ILE HA . 25041 1 170 . 1 1 18 18 ILE CB C 13 39.551 0.400 . 1 . . . . 101 ILE CB . 25041 1 171 . 1 1 18 18 ILE HB H 1 1.571 0.020 . 1 . . . . 101 ILE HB . 25041 1 172 . 1 1 18 18 ILE CG2 C 13 19.335 0.400 . 1 . . . . 101 ILE CG2 . 25041 1 173 . 1 1 18 18 ILE HG21 H 1 0.768 0.020 . 1 . . . . 101 ILE HG21 . 25041 1 174 . 1 1 18 18 ILE HG22 H 1 0.768 0.020 . 1 . . . . 101 ILE HG22 . 25041 1 175 . 1 1 18 18 ILE HG23 H 1 0.768 0.020 . 1 . . . . 101 ILE HG23 . 25041 1 176 . 1 1 18 18 ILE CG1 C 13 28.305 0.400 . 1 . . . . 101 ILE CG1 . 25041 1 177 . 1 1 18 18 ILE HG12 H 1 1.134 0.020 . 1 . . . . 101 ILE HG12 . 25041 1 178 . 1 1 18 18 ILE HG13 H 1 1.358 0.020 . 1 . . . . 101 ILE HG13 . 25041 1 179 . 1 1 18 18 ILE CD1 C 13 14.756 0.400 . 1 . . . . 101 ILE CD1 . 25041 1 180 . 1 1 18 18 ILE HD11 H 1 0.728 0.020 . 1 . . . . 101 ILE HD11 . 25041 1 181 . 1 1 18 18 ILE HD12 H 1 0.728 0.020 . 1 . . . . 101 ILE HD12 . 25041 1 182 . 1 1 18 18 ILE HD13 H 1 0.728 0.020 . 1 . . . . 101 ILE HD13 . 25041 1 183 . 1 1 19 19 ARG N N 15 122.913 0.400 . 1 . . . . 102 ARG N . 25041 1 184 . 1 1 19 19 ARG H H 1 8.827 0.020 . 1 . . . . 102 ARG H . 25041 1 185 . 1 1 19 19 ARG CA C 13 53.674 0.400 . 1 . . . . 102 ARG CA . 25041 1 186 . 1 1 19 19 ARG HA H 1 5.126 0.020 . 1 . . . . 102 ARG HA . 25041 1 187 . 1 1 19 19 ARG CB C 13 33.615 0.400 . 1 . . . . 102 ARG CB . 25041 1 188 . 1 1 19 19 ARG HB2 H 1 1.964 0.020 . 2 . . . . 102 ARG HB2 . 25041 1 189 . 1 1 19 19 ARG HB3 H 1 1.964 0.020 . 2 . . . . 102 ARG HB3 . 25041 1 190 . 1 1 19 19 ARG CG C 13 27.735 0.400 . 1 . . . . 102 ARG CG . 25041 1 191 . 1 1 19 19 ARG HG2 H 1 1.273 0.020 . 2 . . . . 102 ARG HG2 . 25041 1 192 . 1 1 19 19 ARG HG3 H 1 1.273 0.020 . 2 . . . . 102 ARG HG3 . 25041 1 193 . 1 1 19 19 ARG CD C 13 43.278 0.400 . 1 . . . . 102 ARG CD . 25041 1 194 . 1 1 19 19 ARG HD2 H 1 2.915 0.020 . 1 . . . . 102 ARG HD2 . 25041 1 195 . 1 1 19 19 ARG HD3 H 1 2.996 0.020 . 1 . . . . 102 ARG HD3 . 25041 1 196 . 1 1 20 20 GLY N N 15 108.020 0.400 . 1 . . . . 103 GLY N . 25041 1 197 . 1 1 20 20 GLY H H 1 9.138 0.020 . 1 . . . . 103 GLY H . 25041 1 198 . 1 1 20 20 GLY CA C 13 45.767 0.400 . 1 . . . . 103 GLY CA . 25041 1 199 . 1 1 20 20 GLY HA2 H 1 4.308 0.020 . 2 . . . . 103 GLY HA2 . 25041 1 200 . 1 1 20 20 GLY HA3 H 1 3.920 0.020 . 2 . . . . 103 GLY HA3 . 25041 1 201 . 1 1 21 21 LEU N N 15 116.603 0.400 . 1 . . . . 104 LEU N . 25041 1 202 . 1 1 21 21 LEU H H 1 7.305 0.020 . 1 . . . . 104 LEU H . 25041 1 203 . 1 1 21 21 LEU CA C 13 54.546 0.400 . 1 . . . . 104 LEU CA . 25041 1 204 . 1 1 21 21 LEU HA H 1 4.209 0.020 . 1 . . . . 104 LEU HA . 25041 1 205 . 1 1 21 21 LEU CB C 13 42.757 0.400 . 1 . . . . 104 LEU CB . 25041 1 206 . 1 1 21 21 LEU HB2 H 1 1.275 0.020 . 1 . . . . 104 LEU HB2 . 25041 1 207 . 1 1 21 21 LEU HB3 H 1 1.436 0.020 . 1 . . . . 104 LEU HB3 . 25041 1 208 . 1 1 21 21 LEU CG C 13 27.750 0.400 . 1 . . . . 104 LEU CG . 25041 1 209 . 1 1 21 21 LEU HG H 1 1.619 0.020 . 1 . . . . 104 LEU HG . 25041 1 210 . 1 1 21 21 LEU CD1 C 13 23.772 0.400 . 1 . . . . 104 LEU CD1 . 25041 1 211 . 1 1 21 21 LEU HD11 H 1 0.757 0.020 . 2 . . . . 104 LEU HD11 . 25041 1 212 . 1 1 21 21 LEU HD12 H 1 0.757 0.020 . 2 . . . . 104 LEU HD12 . 25041 1 213 . 1 1 21 21 LEU HD13 H 1 0.757 0.020 . 2 . . . . 104 LEU HD13 . 25041 1 214 . 1 1 21 21 LEU CD2 C 13 25.832 0.400 . 1 . . . . 104 LEU CD2 . 25041 1 215 . 1 1 21 21 LEU HD21 H 1 0.540 0.020 . 2 . . . . 104 LEU HD21 . 25041 1 216 . 1 1 21 21 LEU HD22 H 1 0.540 0.020 . 2 . . . . 104 LEU HD22 . 25041 1 217 . 1 1 21 21 LEU HD23 H 1 0.540 0.020 . 2 . . . . 104 LEU HD23 . 25041 1 218 . 1 1 22 22 ILE N N 15 115.094 0.400 . 1 . . . . 105 ILE N . 25041 1 219 . 1 1 22 22 ILE H H 1 7.511 0.020 . 1 . . . . 105 ILE H . 25041 1 220 . 1 1 22 22 ILE CA C 13 59.952 0.400 . 1 . . . . 105 ILE CA . 25041 1 221 . 1 1 22 22 ILE HA H 1 4.273 0.020 . 1 . . . . 105 ILE HA . 25041 1 222 . 1 1 22 22 ILE CB C 13 39.672 0.400 . 1 . . . . 105 ILE CB . 25041 1 223 . 1 1 22 22 ILE HB H 1 1.751 0.020 . 1 . . . . 105 ILE HB . 25041 1 224 . 1 1 22 22 ILE CG2 C 13 17.670 0.400 . 1 . . . . 105 ILE CG2 . 25041 1 225 . 1 1 22 22 ILE HG21 H 1 0.612 0.020 . 1 . . . . 105 ILE HG21 . 25041 1 226 . 1 1 22 22 ILE HG22 H 1 0.612 0.020 . 1 . . . . 105 ILE HG22 . 25041 1 227 . 1 1 22 22 ILE HG23 H 1 0.612 0.020 . 1 . . . . 105 ILE HG23 . 25041 1 228 . 1 1 22 22 ILE CG1 C 13 26.209 0.400 . 1 . . . . 105 ILE CG1 . 25041 1 229 . 1 1 22 22 ILE HG12 H 1 1.233 0.020 . 2 . . . . 105 ILE HG12 . 25041 1 230 . 1 1 22 22 ILE HG13 H 1 1.031 0.020 . 2 . . . . 105 ILE HG13 . 25041 1 231 . 1 1 22 22 ILE CD1 C 13 14.116 0.400 . 1 . . . . 105 ILE CD1 . 25041 1 232 . 1 1 22 22 ILE HD11 H 1 0.711 0.020 . 1 . . . . 105 ILE HD11 . 25041 1 233 . 1 1 22 22 ILE HD12 H 1 0.711 0.020 . 1 . . . . 105 ILE HD12 . 25041 1 234 . 1 1 22 22 ILE HD13 H 1 0.711 0.020 . 1 . . . . 105 ILE HD13 . 25041 1 235 . 1 1 23 23 ASP N N 15 120.129 0.400 . 1 . . . . 106 ASP N . 25041 1 236 . 1 1 23 23 ASP H H 1 7.999 0.020 . 1 . . . . 106 ASP H . 25041 1 237 . 1 1 23 23 ASP CA C 13 56.407 0.400 . 1 . . . . 106 ASP CA . 25041 1 238 . 1 1 23 23 ASP HA H 1 4.409 0.020 . 1 . . . . 106 ASP HA . 25041 1 239 . 1 1 23 23 ASP CB C 13 41.132 0.400 . 1 . . . . 106 ASP CB . 25041 1 240 . 1 1 23 23 ASP HB2 H 1 2.617 0.020 . 2 . . . . 106 ASP HB2 . 25041 1 241 . 1 1 23 23 ASP HB3 H 1 2.505 0.020 . 2 . . . . 106 ASP HB3 . 25041 1 242 . 1 1 24 24 GLY N N 15 109.636 0.400 . 1 . . . . 107 GLY N . 25041 1 243 . 1 1 24 24 GLY H H 1 8.519 0.020 . 1 . . . . 107 GLY H . 25041 1 244 . 1 1 24 24 GLY CA C 13 45.447 0.400 . 1 . . . . 107 GLY CA . 25041 1 245 . 1 1 24 24 GLY HA2 H 1 4.161 0.020 . 2 . . . . 107 GLY HA2 . 25041 1 246 . 1 1 24 24 GLY HA3 H 1 3.698 0.020 . 2 . . . . 107 GLY HA3 . 25041 1 247 . 1 1 25 25 VAL N N 15 120.013 0.400 . 1 . . . . 108 VAL N . 25041 1 248 . 1 1 25 25 VAL H H 1 7.010 0.020 . 1 . . . . 108 VAL H . 25041 1 249 . 1 1 25 25 VAL CA C 13 63.309 0.400 . 1 . . . . 108 VAL CA . 25041 1 250 . 1 1 25 25 VAL HA H 1 4.059 0.020 . 1 . . . . 108 VAL HA . 25041 1 251 . 1 1 25 25 VAL CB C 13 32.098 0.400 . 1 . . . . 108 VAL CB . 25041 1 252 . 1 1 25 25 VAL HB H 1 1.984 0.020 . 1 . . . . 108 VAL HB . 25041 1 253 . 1 1 25 25 VAL CG1 C 13 23.390 0.400 . 1 . . . . 108 VAL CG1 . 25041 1 254 . 1 1 25 25 VAL HG11 H 1 1.004 0.020 . 2 . . . . 108 VAL HG11 . 25041 1 255 . 1 1 25 25 VAL HG12 H 1 1.004 0.020 . 2 . . . . 108 VAL HG12 . 25041 1 256 . 1 1 25 25 VAL HG13 H 1 1.004 0.020 . 2 . . . . 108 VAL HG13 . 25041 1 257 . 1 1 25 25 VAL CG2 C 13 22.211 0.400 . 1 . . . . 108 VAL CG2 . 25041 1 258 . 1 1 25 25 VAL HG21 H 1 0.898 0.020 . 2 . . . . 108 VAL HG21 . 25041 1 259 . 1 1 25 25 VAL HG22 H 1 0.898 0.020 . 2 . . . . 108 VAL HG22 . 25041 1 260 . 1 1 25 25 VAL HG23 H 1 0.898 0.020 . 2 . . . . 108 VAL HG23 . 25041 1 261 . 1 1 26 26 VAL N N 15 119.092 0.400 . 1 . . . . 109 VAL N . 25041 1 262 . 1 1 26 26 VAL H H 1 8.837 0.020 . 1 . . . . 109 VAL H . 25041 1 263 . 1 1 26 26 VAL CA C 13 59.084 0.400 . 1 . . . . 109 VAL CA . 25041 1 264 . 1 1 26 26 VAL HA H 1 4.790 0.020 . 1 . . . . 109 VAL HA . 25041 1 265 . 1 1 26 26 VAL CB C 13 35.608 0.400 . 1 . . . . 109 VAL CB . 25041 1 266 . 1 1 26 26 VAL HB H 1 2.488 0.020 . 1 . . . . 109 VAL HB . 25041 1 267 . 1 1 26 26 VAL CG1 C 13 21.658 0.400 . 1 . . . . 109 VAL CG1 . 25041 1 268 . 1 1 26 26 VAL HG11 H 1 1.003 0.020 . 2 . . . . 109 VAL HG11 . 25041 1 269 . 1 1 26 26 VAL HG12 H 1 1.003 0.020 . 2 . . . . 109 VAL HG12 . 25041 1 270 . 1 1 26 26 VAL HG13 H 1 1.003 0.020 . 2 . . . . 109 VAL HG13 . 25041 1 271 . 1 1 26 26 VAL CG2 C 13 19.081 0.400 . 1 . . . . 109 VAL CG2 . 25041 1 272 . 1 1 26 26 VAL HG21 H 1 0.958 0.020 . 2 . . . . 109 VAL HG21 . 25041 1 273 . 1 1 26 26 VAL HG22 H 1 0.958 0.020 . 2 . . . . 109 VAL HG22 . 25041 1 274 . 1 1 26 26 VAL HG23 H 1 0.958 0.020 . 2 . . . . 109 VAL HG23 . 25041 1 275 . 1 1 27 27 GLU N N 15 122.588 0.400 . 1 . . . . 110 GLU N . 25041 1 276 . 1 1 27 27 GLU H H 1 9.605 0.020 . 1 . . . . 110 GLU H . 25041 1 277 . 1 1 27 27 GLU CA C 13 61.951 0.400 . 1 . . . . 110 GLU CA . 25041 1 278 . 1 1 27 27 GLU HA H 1 3.591 0.020 . 1 . . . . 110 GLU HA . 25041 1 279 . 1 1 27 27 GLU CB C 13 28.898 0.400 . 1 . . . . 110 GLU CB . 25041 1 280 . 1 1 27 27 GLU HB2 H 1 2.082 0.020 . 1 . . . . 110 GLU HB2 . 25041 1 281 . 1 1 27 27 GLU HB3 H 1 1.865 0.020 . 1 . . . . 110 GLU HB3 . 25041 1 282 . 1 1 27 27 GLU CG C 13 37.138 0.400 . 1 . . . . 110 GLU CG . 25041 1 283 . 1 1 27 27 GLU HG2 H 1 2.323 0.020 . 2 . . . . 110 GLU HG2 . 25041 1 284 . 1 1 27 27 GLU HG3 H 1 2.044 0.020 . 2 . . . . 110 GLU HG3 . 25041 1 285 . 1 1 28 28 ALA N N 15 118.227 0.400 . 1 . . . . 111 ALA N . 25041 1 286 . 1 1 28 28 ALA H H 1 8.584 0.020 . 1 . . . . 111 ALA H . 25041 1 287 . 1 1 28 28 ALA CA C 13 55.412 0.400 . 1 . . . . 111 ALA CA . 25041 1 288 . 1 1 28 28 ALA HA H 1 4.055 0.020 . 1 . . . . 111 ALA HA . 25041 1 289 . 1 1 28 28 ALA CB C 13 18.629 0.400 . 1 . . . . 111 ALA CB . 25041 1 290 . 1 1 28 28 ALA HB1 H 1 1.430 0.020 . 1 . . . . 111 ALA HB1 . 25041 1 291 . 1 1 28 28 ALA HB2 H 1 1.430 0.020 . 1 . . . . 111 ALA HB2 . 25041 1 292 . 1 1 28 28 ALA HB3 H 1 1.430 0.020 . 1 . . . . 111 ALA HB3 . 25041 1 293 . 1 1 29 29 ASP N N 15 115.636 0.400 . 1 . . . . 112 ASP N . 25041 1 294 . 1 1 29 29 ASP H H 1 7.573 0.020 . 1 . . . . 112 ASP H . 25041 1 295 . 1 1 29 29 ASP CA C 13 57.462 0.400 . 1 . . . . 112 ASP CA . 25041 1 296 . 1 1 29 29 ASP HA H 1 4.455 0.020 . 1 . . . . 112 ASP HA . 25041 1 297 . 1 1 29 29 ASP CB C 13 41.942 0.400 . 1 . . . . 112 ASP CB . 25041 1 298 . 1 1 29 29 ASP HB2 H 1 3.026 0.020 . 1 . . . . 112 ASP HB2 . 25041 1 299 . 1 1 29 29 ASP HB3 H 1 2.576 0.020 . 1 . . . . 112 ASP HB3 . 25041 1 300 . 1 1 30 30 LEU N N 15 120.781 0.400 . 1 . . . . 113 LEU N . 25041 1 301 . 1 1 30 30 LEU H H 1 7.279 0.020 . 1 . . . . 113 LEU H . 25041 1 302 . 1 1 30 30 LEU CA C 13 57.892 0.400 . 1 . . . . 113 LEU CA . 25041 1 303 . 1 1 30 30 LEU HA H 1 3.941 0.020 . 1 . . . . 113 LEU HA . 25041 1 304 . 1 1 30 30 LEU CB C 13 41.181 0.400 . 1 . . . . 113 LEU CB . 25041 1 305 . 1 1 30 30 LEU HB2 H 1 2.109 0.020 . 1 . . . . 113 LEU HB2 . 25041 1 306 . 1 1 30 30 LEU HB3 H 1 1.228 0.020 . 1 . . . . 113 LEU HB3 . 25041 1 307 . 1 1 30 30 LEU CG C 13 28.238 0.400 . 1 . . . . 113 LEU CG . 25041 1 308 . 1 1 30 30 LEU HG H 1 1.455 0.020 . 1 . . . . 113 LEU HG . 25041 1 309 . 1 1 30 30 LEU CD1 C 13 26.951 0.400 . 1 . . . . 113 LEU CD1 . 25041 1 310 . 1 1 30 30 LEU HD11 H 1 0.658 0.020 . 2 . . . . 113 LEU HD11 . 25041 1 311 . 1 1 30 30 LEU HD12 H 1 0.658 0.020 . 2 . . . . 113 LEU HD12 . 25041 1 312 . 1 1 30 30 LEU HD13 H 1 0.658 0.020 . 2 . . . . 113 LEU HD13 . 25041 1 313 . 1 1 30 30 LEU CD2 C 13 25.706 0.400 . 1 . . . . 113 LEU CD2 . 25041 1 314 . 1 1 30 30 LEU HD21 H 1 0.712 0.020 . 2 . . . . 113 LEU HD21 . 25041 1 315 . 1 1 30 30 LEU HD22 H 1 0.712 0.020 . 2 . . . . 113 LEU HD22 . 25041 1 316 . 1 1 30 30 LEU HD23 H 1 0.712 0.020 . 2 . . . . 113 LEU HD23 . 25041 1 317 . 1 1 31 31 VAL N N 15 118.813 0.400 . 1 . . . . 114 VAL N . 25041 1 318 . 1 1 31 31 VAL H H 1 7.829 0.020 . 1 . . . . 114 VAL H . 25041 1 319 . 1 1 31 31 VAL CA C 13 66.878 0.400 . 1 . . . . 114 VAL CA . 25041 1 320 . 1 1 31 31 VAL HA H 1 3.356 0.020 . 1 . . . . 114 VAL HA . 25041 1 321 . 1 1 31 31 VAL CB C 13 31.983 0.400 . 1 . . . . 114 VAL CB . 25041 1 322 . 1 1 31 31 VAL HB H 1 1.992 0.020 . 1 . . . . 114 VAL HB . 25041 1 323 . 1 1 31 31 VAL CG1 C 13 22.707 0.400 . 1 . . . . 114 VAL CG1 . 25041 1 324 . 1 1 31 31 VAL HG11 H 1 0.918 0.020 . 2 . . . . 114 VAL HG11 . 25041 1 325 . 1 1 31 31 VAL HG12 H 1 0.918 0.020 . 2 . . . . 114 VAL HG12 . 25041 1 326 . 1 1 31 31 VAL HG13 H 1 0.918 0.020 . 2 . . . . 114 VAL HG13 . 25041 1 327 . 1 1 31 31 VAL CG2 C 13 21.318 0.400 . 1 . . . . 114 VAL CG2 . 25041 1 328 . 1 1 31 31 VAL HG21 H 1 0.892 0.020 . 2 . . . . 114 VAL HG21 . 25041 1 329 . 1 1 31 31 VAL HG22 H 1 0.892 0.020 . 2 . . . . 114 VAL HG22 . 25041 1 330 . 1 1 31 31 VAL HG23 H 1 0.892 0.020 . 2 . . . . 114 VAL HG23 . 25041 1 331 . 1 1 32 32 GLU N N 15 116.932 0.400 . 1 . . . . 115 GLU N . 25041 1 332 . 1 1 32 32 GLU H H 1 8.024 0.020 . 1 . . . . 115 GLU H . 25041 1 333 . 1 1 32 32 GLU CA C 13 59.338 0.400 . 1 . . . . 115 GLU CA . 25041 1 334 . 1 1 32 32 GLU HA H 1 3.962 0.020 . 1 . . . . 115 GLU HA . 25041 1 335 . 1 1 32 32 GLU CB C 13 29.638 0.400 . 1 . . . . 115 GLU CB . 25041 1 336 . 1 1 32 32 GLU HB2 H 1 2.199 0.020 . 1 . . . . 115 GLU HB2 . 25041 1 337 . 1 1 32 32 GLU HB3 H 1 2.065 0.020 . 1 . . . . 115 GLU HB3 . 25041 1 338 . 1 1 32 32 GLU CG C 13 36.120 0.400 . 1 . . . . 115 GLU CG . 25041 1 339 . 1 1 32 32 GLU HG2 H 1 2.398 0.020 . 1 . . . . 115 GLU HG2 . 25041 1 340 . 1 1 32 32 GLU HG3 H 1 2.331 0.020 . 1 . . . . 115 GLU HG3 . 25041 1 341 . 1 1 33 33 ALA N N 15 116.730 0.400 . 1 . . . . 116 ALA N . 25041 1 342 . 1 1 33 33 ALA H H 1 7.082 0.020 . 1 . . . . 116 ALA H . 25041 1 343 . 1 1 33 33 ALA CA C 13 53.979 0.400 . 1 . . . . 116 ALA CA . 25041 1 344 . 1 1 33 33 ALA HA H 1 4.461 0.020 . 1 . . . . 116 ALA HA . 25041 1 345 . 1 1 33 33 ALA CB C 13 21.482 0.400 . 1 . . . . 116 ALA CB . 25041 1 346 . 1 1 33 33 ALA HB1 H 1 1.658 0.020 . 1 . . . . 116 ALA HB1 . 25041 1 347 . 1 1 33 33 ALA HB2 H 1 1.658 0.020 . 1 . . . . 116 ALA HB2 . 25041 1 348 . 1 1 33 33 ALA HB3 H 1 1.658 0.020 . 1 . . . . 116 ALA HB3 . 25041 1 349 . 1 1 34 34 LEU N N 15 114.234 0.400 . 1 . . . . 117 LEU N . 25041 1 350 . 1 1 34 34 LEU H H 1 7.794 0.020 . 1 . . . . 117 LEU H . 25041 1 351 . 1 1 34 34 LEU CA C 13 55.246 0.400 . 1 . . . . 117 LEU CA . 25041 1 352 . 1 1 34 34 LEU HA H 1 5.036 0.020 . 1 . . . . 117 LEU HA . 25041 1 353 . 1 1 34 34 LEU CB C 13 43.383 0.400 . 1 . . . . 117 LEU CB . 25041 1 354 . 1 1 34 34 LEU HB2 H 1 1.881 0.020 . 1 . . . . 117 LEU HB2 . 25041 1 355 . 1 1 34 34 LEU HB3 H 1 2.053 0.020 . 1 . . . . 117 LEU HB3 . 25041 1 356 . 1 1 34 34 LEU CG C 13 28.139 0.400 . 1 . . . . 117 LEU CG . 25041 1 357 . 1 1 34 34 LEU HG H 1 1.908 0.020 . 1 . . . . 117 LEU HG . 25041 1 358 . 1 1 34 34 LEU CD1 C 13 26.961 0.400 . 1 . . . . 117 LEU CD1 . 25041 1 359 . 1 1 34 34 LEU HD11 H 1 0.902 0.020 . 2 . . . . 117 LEU HD11 . 25041 1 360 . 1 1 34 34 LEU HD12 H 1 0.902 0.020 . 2 . . . . 117 LEU HD12 . 25041 1 361 . 1 1 34 34 LEU HD13 H 1 0.902 0.020 . 2 . . . . 117 LEU HD13 . 25041 1 362 . 1 1 34 34 LEU CD2 C 13 23.512 0.400 . 1 . . . . 117 LEU CD2 . 25041 1 363 . 1 1 34 34 LEU HD21 H 1 1.088 0.020 . 2 . . . . 117 LEU HD21 . 25041 1 364 . 1 1 34 34 LEU HD22 H 1 1.088 0.020 . 2 . . . . 117 LEU HD22 . 25041 1 365 . 1 1 34 34 LEU HD23 H 1 1.088 0.020 . 2 . . . . 117 LEU HD23 . 25041 1 366 . 1 1 35 35 GLN N N 15 118.816 0.400 . 1 . . . . 118 GLN N . 25041 1 367 . 1 1 35 35 GLN H H 1 8.468 0.020 . 1 . . . . 118 GLN H . 25041 1 368 . 1 1 35 35 GLN CA C 13 57.900 0.400 . 1 . . . . 118 GLN CA . 25041 1 369 . 1 1 35 35 GLN HA H 1 4.664 0.020 . 1 . . . . 118 GLN HA . 25041 1 370 . 1 1 35 35 GLN CB C 13 26.785 0.400 . 1 . . . . 118 GLN CB . 25041 1 371 . 1 1 35 35 GLN HB2 H 1 2.276 0.020 . 1 . . . . 118 GLN HB2 . 25041 1 372 . 1 1 35 35 GLN HB3 H 1 2.206 0.020 . 1 . . . . 118 GLN HB3 . 25041 1 373 . 1 1 35 35 GLN CG C 13 32.628 0.400 . 1 . . . . 118 GLN CG . 25041 1 374 . 1 1 35 35 GLN HG2 H 1 2.614 0.020 . 1 . . . . 118 GLN HG2 . 25041 1 375 . 1 1 35 35 GLN HG3 H 1 2.263 0.020 . 1 . . . . 118 GLN HG3 . 25041 1 376 . 1 1 35 35 GLN NE2 N 15 110.528 0.400 . 1 . . . . 118 GLN NE2 . 25041 1 377 . 1 1 35 35 GLN HE21 H 1 6.705 0.020 . 1 . . . . 118 GLN HE21 . 25041 1 378 . 1 1 35 35 GLN HE22 H 1 7.404 0.020 . 1 . . . . 118 GLN HE22 . 25041 1 379 . 1 1 36 36 GLU N N 15 117.851 0.400 . 1 . . . . 119 GLU N . 25041 1 380 . 1 1 36 36 GLU H H 1 7.893 0.020 . 1 . . . . 119 GLU H . 25041 1 381 . 1 1 36 36 GLU CA C 13 57.645 0.400 . 1 . . . . 119 GLU CA . 25041 1 382 . 1 1 36 36 GLU HA H 1 3.998 0.020 . 1 . . . . 119 GLU HA . 25041 1 383 . 1 1 36 36 GLU CB C 13 28.980 0.400 . 1 . . . . 119 GLU CB . 25041 1 384 . 1 1 36 36 GLU HB2 H 1 1.513 0.020 . 1 . . . . 119 GLU HB2 . 25041 1 385 . 1 1 36 36 GLU HB3 H 1 1.585 0.020 . 1 . . . . 119 GLU HB3 . 25041 1 386 . 1 1 36 36 GLU CG C 13 34.952 0.400 . 1 . . . . 119 GLU CG . 25041 1 387 . 1 1 36 36 GLU HG2 H 1 1.560 0.020 . 1 . . . . 119 GLU HG2 . 25041 1 388 . 1 1 36 36 GLU HG3 H 1 1.218 0.020 . 1 . . . . 119 GLU HG3 . 25041 1 389 . 1 1 37 37 PHE N N 15 118.527 0.400 . 1 . . . . 120 PHE N . 25041 1 390 . 1 1 37 37 PHE H H 1 7.767 0.020 . 1 . . . . 120 PHE H . 25041 1 391 . 1 1 37 37 PHE CA C 13 59.615 0.400 . 1 . . . . 120 PHE CA . 25041 1 392 . 1 1 37 37 PHE HA H 1 4.524 0.020 . 1 . . . . 120 PHE HA . 25041 1 393 . 1 1 37 37 PHE CB C 13 38.365 0.400 . 1 . . . . 120 PHE CB . 25041 1 394 . 1 1 37 37 PHE HB2 H 1 3.120 0.020 . 1 . . . . 120 PHE HB2 . 25041 1 395 . 1 1 37 37 PHE HB3 H 1 3.540 0.020 . 1 . . . . 120 PHE HB3 . 25041 1 396 . 1 1 37 37 PHE CD1 C 13 131.307 0.400 . 1 . . . . 120 PHE CD1 . 25041 1 397 . 1 1 37 37 PHE HD1 H 1 7.421 0.020 . 1 . . . . 120 PHE HD1 . 25041 1 398 . 1 1 37 37 PHE CE1 C 13 131.332 0.400 . 1 . . . . 120 PHE CE1 . 25041 1 399 . 1 1 37 37 PHE HE1 H 1 7.022 0.020 . 1 . . . . 120 PHE HE1 . 25041 1 400 . 1 1 37 37 PHE CZ C 13 129.734 0.400 . 1 . . . . 120 PHE CZ . 25041 1 401 . 1 1 37 37 PHE HZ H 1 6.492 0.020 . 1 . . . . 120 PHE HZ . 25041 1 402 . 1 1 37 37 PHE HE2 H 1 7.022 0.020 . 1 . . . . 120 PHE HE2 . 25041 1 403 . 1 1 37 37 PHE HD2 H 1 7.421 0.020 . 1 . . . . 120 PHE HD2 . 25041 1 404 . 1 1 38 38 GLY N N 15 107.793 0.400 . 1 . . . . 121 GLY N . 25041 1 405 . 1 1 38 38 GLY H H 1 7.465 0.020 . 1 . . . . 121 GLY H . 25041 1 406 . 1 1 38 38 GLY CA C 13 44.946 0.400 . 1 . . . . 121 GLY CA . 25041 1 407 . 1 1 38 38 GLY HA2 H 1 4.396 0.020 . 2 . . . . 121 GLY HA2 . 25041 1 408 . 1 1 38 38 GLY HA3 H 1 4.143 0.020 . 2 . . . . 121 GLY HA3 . 25041 1 409 . 1 1 39 39 PRO CD C 13 49.784 0.400 . 1 . . . . 122 PRO CD . 25041 1 410 . 1 1 39 39 PRO CA C 13 63.249 0.400 . 1 . . . . 122 PRO CA . 25041 1 411 . 1 1 39 39 PRO HA H 1 4.590 0.020 . 1 . . . . 122 PRO HA . 25041 1 412 . 1 1 39 39 PRO CB C 13 31.994 0.400 . 1 . . . . 122 PRO CB . 25041 1 413 . 1 1 39 39 PRO HB2 H 1 1.957 0.020 . 1 . . . . 122 PRO HB2 . 25041 1 414 . 1 1 39 39 PRO HB3 H 1 2.344 0.020 . 1 . . . . 122 PRO HB3 . 25041 1 415 . 1 1 39 39 PRO CG C 13 28.267 0.400 . 1 . . . . 122 PRO CG . 25041 1 416 . 1 1 39 39 PRO HG2 H 1 2.104 0.020 . 1 . . . . 122 PRO HG2 . 25041 1 417 . 1 1 39 39 PRO HG3 H 1 2.178 0.020 . 1 . . . . 122 PRO HG3 . 25041 1 418 . 1 1 39 39 PRO HD2 H 1 3.833 0.020 . 1 . . . . 122 PRO HD2 . 25041 1 419 . 1 1 39 39 PRO HD3 H 1 3.716 0.020 . 1 . . . . 122 PRO HD3 . 25041 1 420 . 1 1 40 40 ILE N N 15 125.223 0.400 . 1 . . . . 123 ILE N . 25041 1 421 . 1 1 40 40 ILE H H 1 8.618 0.020 . 1 . . . . 123 ILE H . 25041 1 422 . 1 1 40 40 ILE CA C 13 61.674 0.400 . 1 . . . . 123 ILE CA . 25041 1 423 . 1 1 40 40 ILE HA H 1 3.969 0.020 . 1 . . . . 123 ILE HA . 25041 1 424 . 1 1 40 40 ILE CB C 13 40.937 0.400 . 1 . . . . 123 ILE CB . 25041 1 425 . 1 1 40 40 ILE HB H 1 1.566 0.020 . 1 . . . . 123 ILE HB . 25041 1 426 . 1 1 40 40 ILE CG2 C 13 17.990 0.400 . 1 . . . . 123 ILE CG2 . 25041 1 427 . 1 1 40 40 ILE HG21 H 1 0.508 0.020 . 1 . . . . 123 ILE HG21 . 25041 1 428 . 1 1 40 40 ILE HG22 H 1 0.508 0.020 . 1 . . . . 123 ILE HG22 . 25041 1 429 . 1 1 40 40 ILE HG23 H 1 0.508 0.020 . 1 . . . . 123 ILE HG23 . 25041 1 430 . 1 1 40 40 ILE CG1 C 13 28.785 0.400 . 1 . . . . 123 ILE CG1 . 25041 1 431 . 1 1 40 40 ILE HG12 H 1 0.081 0.020 . 1 . . . . 123 ILE HG12 . 25041 1 432 . 1 1 40 40 ILE HG13 H 1 1.754 0.020 . 1 . . . . 123 ILE HG13 . 25041 1 433 . 1 1 40 40 ILE CD1 C 13 14.769 0.400 . 1 . . . . 123 ILE CD1 . 25041 1 434 . 1 1 40 40 ILE HD11 H 1 0.536 0.020 . 1 . . . . 123 ILE HD11 . 25041 1 435 . 1 1 40 40 ILE HD12 H 1 0.536 0.020 . 1 . . . . 123 ILE HD12 . 25041 1 436 . 1 1 40 40 ILE HD13 H 1 0.536 0.020 . 1 . . . . 123 ILE HD13 . 25041 1 437 . 1 1 41 41 SER N N 15 122.853 0.400 . 1 . . . . 124 SER N . 25041 1 438 . 1 1 41 41 SER H H 1 9.307 0.020 . 1 . . . . 124 SER H . 25041 1 439 . 1 1 41 41 SER CA C 13 59.367 0.400 . 1 . . . . 124 SER CA . 25041 1 440 . 1 1 41 41 SER HA H 1 4.645 0.020 . 1 . . . . 124 SER HA . 25041 1 441 . 1 1 41 41 SER CB C 13 64.813 0.400 . 1 . . . . 124 SER CB . 25041 1 442 . 1 1 41 41 SER HB2 H 1 3.624 0.020 . 1 . . . . 124 SER HB2 . 25041 1 443 . 1 1 41 41 SER HB3 H 1 3.684 0.020 . 1 . . . . 124 SER HB3 . 25041 1 444 . 1 1 42 42 TYR N N 15 121.170 0.400 . 1 . . . . 125 TYR N . 25041 1 445 . 1 1 42 42 TYR H H 1 7.916 0.020 . 1 . . . . 125 TYR H . 25041 1 446 . 1 1 42 42 TYR CB C 13 42.895 0.400 . 1 . . . . 125 TYR CB . 25041 1 447 . 1 1 42 42 TYR HB2 H 1 2.996 0.020 . 1 . . . . 125 TYR HB2 . 25041 1 448 . 1 1 42 42 TYR HB3 H 1 2.523 0.020 . 1 . . . . 125 TYR HB3 . 25041 1 449 . 1 1 42 42 TYR CD1 C 13 133.165 0.400 . 1 . . . . 125 TYR CD1 . 25041 1 450 . 1 1 42 42 TYR HD1 H 1 7.036 0.020 . 1 . . . . 125 TYR HD1 . 25041 1 451 . 1 1 42 42 TYR CE1 C 13 118.161 0.400 . 1 . . . . 125 TYR CE1 . 25041 1 452 . 1 1 42 42 TYR HE1 H 1 6.814 0.020 . 1 . . . . 125 TYR HE1 . 25041 1 453 . 1 1 42 42 TYR HE2 H 1 6.814 0.020 . 1 . . . . 125 TYR HE2 . 25041 1 454 . 1 1 42 42 TYR HD2 H 1 7.036 0.020 . 1 . . . . 125 TYR HD2 . 25041 1 455 . 1 1 43 43 VAL N N 15 123.523 0.400 . 1 . . . . 126 VAL N . 25041 1 456 . 1 1 43 43 VAL H H 1 7.373 0.020 . 1 . . . . 126 VAL H . 25041 1 457 . 1 1 43 43 VAL CA C 13 60.566 0.400 . 1 . . . . 126 VAL CA . 25041 1 458 . 1 1 43 43 VAL HA H 1 4.743 0.020 . 1 . . . . 126 VAL HA . 25041 1 459 . 1 1 43 43 VAL CB C 13 35.842 0.400 . 1 . . . . 126 VAL CB . 25041 1 460 . 1 1 43 43 VAL HB H 1 1.748 0.020 . 1 . . . . 126 VAL HB . 25041 1 461 . 1 1 43 43 VAL CG1 C 13 22.154 0.400 . 1 . . . . 126 VAL CG1 . 25041 1 462 . 1 1 43 43 VAL HG11 H 1 0.791 0.020 . 2 . . . . 126 VAL HG11 . 25041 1 463 . 1 1 43 43 VAL HG12 H 1 0.791 0.020 . 2 . . . . 126 VAL HG12 . 25041 1 464 . 1 1 43 43 VAL HG13 H 1 0.791 0.020 . 2 . . . . 126 VAL HG13 . 25041 1 465 . 1 1 43 43 VAL CG2 C 13 22.044 0.400 . 1 . . . . 126 VAL CG2 . 25041 1 466 . 1 1 43 43 VAL HG21 H 1 0.752 0.020 . 2 . . . . 126 VAL HG21 . 25041 1 467 . 1 1 43 43 VAL HG22 H 1 0.752 0.020 . 2 . . . . 126 VAL HG22 . 25041 1 468 . 1 1 43 43 VAL HG23 H 1 0.752 0.020 . 2 . . . . 126 VAL HG23 . 25041 1 469 . 1 1 44 44 VAL N N 15 122.788 0.400 . 1 . . . . 127 VAL N . 25041 1 470 . 1 1 44 44 VAL H H 1 8.886 0.020 . 1 . . . . 127 VAL H . 25041 1 471 . 1 1 44 44 VAL CA C 13 61.021 0.400 . 1 . . . . 127 VAL CA . 25041 1 472 . 1 1 44 44 VAL HA H 1 4.453 0.020 . 1 . . . . 127 VAL HA . 25041 1 473 . 1 1 44 44 VAL CB C 13 36.042 0.400 . 1 . . . . 127 VAL CB . 25041 1 474 . 1 1 44 44 VAL HB H 1 1.936 0.020 . 1 . . . . 127 VAL HB . 25041 1 475 . 1 1 44 44 VAL CG1 C 13 21.317 0.400 . 1 . . . . 127 VAL CG1 . 25041 1 476 . 1 1 44 44 VAL HG11 H 1 0.977 0.020 . 2 . . . . 127 VAL HG11 . 25041 1 477 . 1 1 44 44 VAL HG12 H 1 0.977 0.020 . 2 . . . . 127 VAL HG12 . 25041 1 478 . 1 1 44 44 VAL HG13 H 1 0.977 0.020 . 2 . . . . 127 VAL HG13 . 25041 1 479 . 1 1 44 44 VAL CG2 C 13 22.150 0.400 . 1 . . . . 127 VAL CG2 . 25041 1 480 . 1 1 44 44 VAL HG21 H 1 1.041 0.020 . 2 . . . . 127 VAL HG21 . 25041 1 481 . 1 1 44 44 VAL HG22 H 1 1.041 0.020 . 2 . . . . 127 VAL HG22 . 25041 1 482 . 1 1 44 44 VAL HG23 H 1 1.041 0.020 . 2 . . . . 127 VAL HG23 . 25041 1 483 . 1 1 45 45 VAL N N 15 124.698 0.400 . 1 . . . . 128 VAL N . 25041 1 484 . 1 1 45 45 VAL H H 1 8.772 0.020 . 1 . . . . 128 VAL H . 25041 1 485 . 1 1 45 45 VAL CA C 13 61.614 0.400 . 1 . . . . 128 VAL CA . 25041 1 486 . 1 1 45 45 VAL HA H 1 4.226 0.020 . 1 . . . . 128 VAL HA . 25041 1 487 . 1 1 45 45 VAL CB C 13 33.166 0.400 . 1 . . . . 128 VAL CB . 25041 1 488 . 1 1 45 45 VAL HB H 1 2.016 0.020 . 1 . . . . 128 VAL HB . 25041 1 489 . 1 1 45 45 VAL CG1 C 13 21.710 0.400 . 1 . . . . 128 VAL CG1 . 25041 1 490 . 1 1 45 45 VAL HG11 H 1 0.822 0.020 . 2 . . . . 128 VAL HG11 . 25041 1 491 . 1 1 45 45 VAL HG12 H 1 0.822 0.020 . 2 . . . . 128 VAL HG12 . 25041 1 492 . 1 1 45 45 VAL HG13 H 1 0.822 0.020 . 2 . . . . 128 VAL HG13 . 25041 1 493 . 1 1 45 45 VAL CG2 C 13 21.487 0.400 . 1 . . . . 128 VAL CG2 . 25041 1 494 . 1 1 45 45 VAL HG21 H 1 0.753 0.020 . 2 . . . . 128 VAL HG21 . 25041 1 495 . 1 1 45 45 VAL HG22 H 1 0.753 0.020 . 2 . . . . 128 VAL HG22 . 25041 1 496 . 1 1 45 45 VAL HG23 H 1 0.753 0.020 . 2 . . . . 128 VAL HG23 . 25041 1 497 . 1 1 46 46 MET N N 15 125.569 0.400 . 1 . . . . 129 MET N . 25041 1 498 . 1 1 46 46 MET H H 1 8.643 0.020 . 1 . . . . 129 MET H . 25041 1 499 . 1 1 46 46 MET CB C 13 32.916 0.400 . 1 . . . . 129 MET CB . 25041 1 500 . 1 1 46 46 MET HB2 H 1 2.075 0.020 . 2 . . . . 129 MET HB2 . 25041 1 501 . 1 1 46 46 MET HB3 H 1 1.999 0.020 . 2 . . . . 129 MET HB3 . 25041 1 502 . 1 1 46 46 MET CG C 13 32.562 0.400 . 1 . . . . 129 MET CG . 25041 1 503 . 1 1 46 46 MET HG2 H 1 2.694 0.020 . 1 . . . . 129 MET HG2 . 25041 1 504 . 1 1 46 46 MET HG3 H 1 2.296 0.020 . 1 . . . . 129 MET HG3 . 25041 1 505 . 1 1 46 46 MET CE C 13 17.948 0.400 . 1 . . . . 129 MET CE . 25041 1 506 . 1 1 46 46 MET HE1 H 1 2.063 0.020 . 1 . . . . 129 MET HE1 . 25041 1 507 . 1 1 46 46 MET HE2 H 1 2.063 0.020 . 1 . . . . 129 MET HE2 . 25041 1 508 . 1 1 46 46 MET HE3 H 1 2.063 0.020 . 1 . . . . 129 MET HE3 . 25041 1 509 . 1 1 47 47 PRO CD C 13 51.324 0.400 . 1 . . . . 130 PRO CD . 25041 1 510 . 1 1 47 47 PRO CA C 13 65.452 0.400 . 1 . . . . 130 PRO CA . 25041 1 511 . 1 1 47 47 PRO HA H 1 4.330 0.020 . 1 . . . . 130 PRO HA . 25041 1 512 . 1 1 47 47 PRO CB C 13 32.522 0.400 . 1 . . . . 130 PRO CB . 25041 1 513 . 1 1 47 47 PRO HB2 H 1 2.074 0.020 . 1 . . . . 130 PRO HB2 . 25041 1 514 . 1 1 47 47 PRO HB3 H 1 2.520 0.020 . 1 . . . . 130 PRO HB3 . 25041 1 515 . 1 1 47 47 PRO CG C 13 27.587 0.400 . 1 . . . . 130 PRO CG . 25041 1 516 . 1 1 47 47 PRO HG2 H 1 2.130 0.020 . 2 . . . . 130 PRO HG2 . 25041 1 517 . 1 1 47 47 PRO HG3 H 1 2.130 0.020 . 2 . . . . 130 PRO HG3 . 25041 1 518 . 1 1 47 47 PRO HD2 H 1 3.965 0.020 . 1 . . . . 130 PRO HD2 . 25041 1 519 . 1 1 47 47 PRO HD3 H 1 3.814 0.020 . 1 . . . . 130 PRO HD3 . 25041 1 520 . 1 1 48 48 LYS N N 15 116.847 0.400 . 1 . . . . 131 LYS N . 25041 1 521 . 1 1 48 48 LYS H H 1 8.738 0.020 . 1 . . . . 131 LYS H . 25041 1 522 . 1 1 48 48 LYS CA C 13 58.652 0.400 . 1 . . . . 131 LYS CA . 25041 1 523 . 1 1 48 48 LYS HA H 1 4.198 0.020 . 1 . . . . 131 LYS HA . 25041 1 524 . 1 1 48 48 LYS CB C 13 31.779 0.400 . 1 . . . . 131 LYS CB . 25041 1 525 . 1 1 48 48 LYS HB2 H 1 1.937 0.020 . 2 . . . . 131 LYS HB2 . 25041 1 526 . 1 1 48 48 LYS HB3 H 1 1.937 0.020 . 2 . . . . 131 LYS HB3 . 25041 1 527 . 1 1 48 48 LYS CG C 13 25.672 0.400 . 1 . . . . 131 LYS CG . 25041 1 528 . 1 1 48 48 LYS HG2 H 1 1.583 0.020 . 2 . . . . 131 LYS HG2 . 25041 1 529 . 1 1 48 48 LYS HG3 H 1 1.503 0.020 . 2 . . . . 131 LYS HG3 . 25041 1 530 . 1 1 48 48 LYS CD C 13 29.023 0.400 . 1 . . . . 131 LYS CD . 25041 1 531 . 1 1 48 48 LYS HD2 H 1 1.748 0.020 . 2 . . . . 131 LYS HD2 . 25041 1 532 . 1 1 48 48 LYS HD3 H 1 1.748 0.020 . 2 . . . . 131 LYS HD3 . 25041 1 533 . 1 1 48 48 LYS CE C 13 42.185 0.400 . 1 . . . . 131 LYS CE . 25041 1 534 . 1 1 48 48 LYS HE2 H 1 3.051 0.020 . 2 . . . . 131 LYS HE2 . 25041 1 535 . 1 1 48 48 LYS HE3 H 1 3.051 0.020 . 2 . . . . 131 LYS HE3 . 25041 1 536 . 1 1 49 49 LYS N N 15 114.670 0.400 . 1 . . . . 132 LYS N . 25041 1 537 . 1 1 49 49 LYS H H 1 7.345 0.020 . 1 . . . . 132 LYS H . 25041 1 538 . 1 1 49 49 LYS CA C 13 54.942 0.400 . 1 . . . . 132 LYS CA . 25041 1 539 . 1 1 49 49 LYS HA H 1 4.499 0.020 . 1 . . . . 132 LYS HA . 25041 1 540 . 1 1 49 49 LYS CB C 13 33.651 0.400 . 1 . . . . 132 LYS CB . 25041 1 541 . 1 1 49 49 LYS HB2 H 1 2.104 0.020 . 2 . . . . 132 LYS HB2 . 25041 1 542 . 1 1 49 49 LYS HB3 H 1 1.611 0.020 . 2 . . . . 132 LYS HB3 . 25041 1 543 . 1 1 49 49 LYS CD C 13 28.634 0.400 . 1 . . . . 132 LYS CD . 25041 1 544 . 1 1 49 49 LYS HD2 H 1 1.699 0.020 . 2 . . . . 132 LYS HD2 . 25041 1 545 . 1 1 49 49 LYS HD3 H 1 1.699 0.020 . 2 . . . . 132 LYS HD3 . 25041 1 546 . 1 1 50 50 ARG N N 15 117.153 0.400 . 1 . . . . 133 ARG N . 25041 1 547 . 1 1 50 50 ARG H H 1 8.120 0.020 . 1 . . . . 133 ARG H . 25041 1 548 . 1 1 50 50 ARG CA C 13 57.363 0.400 . 1 . . . . 133 ARG CA . 25041 1 549 . 1 1 50 50 ARG HA H 1 3.934 0.020 . 1 . . . . 133 ARG HA . 25041 1 550 . 1 1 50 50 ARG CB C 13 27.795 0.400 . 1 . . . . 133 ARG CB . 25041 1 551 . 1 1 50 50 ARG HB2 H 1 1.580 0.020 . 2 . . . . 133 ARG HB2 . 25041 1 552 . 1 1 50 50 ARG HB3 H 1 1.490 0.020 . 2 . . . . 133 ARG HB3 . 25041 1 553 . 1 1 50 50 ARG CG C 13 26.428 0.400 . 1 . . . . 133 ARG CG . 25041 1 554 . 1 1 50 50 ARG HG2 H 1 2.078 0.020 . 1 . . . . 133 ARG HG2 . 25041 1 555 . 1 1 50 50 ARG HG3 H 1 2.324 0.020 . 1 . . . . 133 ARG HG3 . 25041 1 556 . 1 1 50 50 ARG CD C 13 43.545 0.400 . 1 . . . . 133 ARG CD . 25041 1 557 . 1 1 50 50 ARG HD2 H 1 3.284 0.020 . 2 . . . . 133 ARG HD2 . 25041 1 558 . 1 1 50 50 ARG HD3 H 1 3.191 0.020 . 2 . . . . 133 ARG HD3 . 25041 1 559 . 1 1 50 50 ARG NE N 15 86.230 0.400 . 1 . . . . 133 ARG NE . 25041 1 560 . 1 1 50 50 ARG HE H 1 7.401 0.020 . 1 . . . . 133 ARG HE . 25041 1 561 . 1 1 51 51 GLN N N 15 114.321 0.400 . 1 . . . . 134 GLN N . 25041 1 562 . 1 1 51 51 GLN H H 1 7.292 0.020 . 1 . . . . 134 GLN H . 25041 1 563 . 1 1 51 51 GLN CA C 13 53.379 0.400 . 1 . . . . 134 GLN CA . 25041 1 564 . 1 1 51 51 GLN HA H 1 5.302 0.020 . 1 . . . . 134 GLN HA . 25041 1 565 . 1 1 51 51 GLN CB C 13 36.021 0.400 . 1 . . . . 134 GLN CB . 25041 1 566 . 1 1 51 51 GLN HB2 H 1 1.758 0.020 . 1 . . . . 134 GLN HB2 . 25041 1 567 . 1 1 51 51 GLN HB3 H 1 2.322 0.020 . 1 . . . . 134 GLN HB3 . 25041 1 568 . 1 1 51 51 GLN CG C 13 34.028 0.400 . 1 . . . . 134 GLN CG . 25041 1 569 . 1 1 51 51 GLN HG2 H 1 2.730 0.020 . 2 . . . . 134 GLN HG2 . 25041 1 570 . 1 1 51 51 GLN HG3 H 1 2.530 0.020 . 2 . . . . 134 GLN HG3 . 25041 1 571 . 1 1 51 51 GLN NE2 N 15 112.362 0.400 . 1 . . . . 134 GLN NE2 . 25041 1 572 . 1 1 51 51 GLN HE21 H 1 7.518 0.020 . 1 . . . . 134 GLN HE21 . 25041 1 573 . 1 1 51 51 GLN HE22 H 1 6.840 0.020 . 1 . . . . 134 GLN HE22 . 25041 1 574 . 1 1 52 52 ALA N N 15 119.415 0.400 . 1 . . . . 135 ALA N . 25041 1 575 . 1 1 52 52 ALA H H 1 8.772 0.020 . 1 . . . . 135 ALA H . 25041 1 576 . 1 1 52 52 ALA CA C 13 51.360 0.400 . 1 . . . . 135 ALA CA . 25041 1 577 . 1 1 52 52 ALA HA H 1 4.995 0.020 . 1 . . . . 135 ALA HA . 25041 1 578 . 1 1 52 52 ALA CB C 13 24.701 0.400 . 1 . . . . 135 ALA CB . 25041 1 579 . 1 1 52 52 ALA HB1 H 1 1.237 0.020 . 1 . . . . 135 ALA HB1 . 25041 1 580 . 1 1 52 52 ALA HB2 H 1 1.237 0.020 . 1 . . . . 135 ALA HB2 . 25041 1 581 . 1 1 52 52 ALA HB3 H 1 1.237 0.020 . 1 . . . . 135 ALA HB3 . 25041 1 582 . 1 1 53 53 LEU N N 15 118.713 0.400 . 1 . . . . 136 LEU N . 25041 1 583 . 1 1 53 53 LEU H H 1 8.945 0.020 . 1 . . . . 136 LEU H . 25041 1 584 . 1 1 53 53 LEU CA C 13 53.661 0.400 . 1 . . . . 136 LEU CA . 25041 1 585 . 1 1 53 53 LEU HA H 1 5.456 0.020 . 1 . . . . 136 LEU HA . 25041 1 586 . 1 1 53 53 LEU CB C 13 46.075 0.400 . 1 . . . . 136 LEU CB . 25041 1 587 . 1 1 53 53 LEU HB2 H 1 1.474 0.020 . 1 . . . . 136 LEU HB2 . 25041 1 588 . 1 1 53 53 LEU HB3 H 1 1.053 0.020 . 1 . . . . 136 LEU HB3 . 25041 1 589 . 1 1 53 53 LEU CD1 C 13 23.651 0.400 . 1 . . . . 136 LEU CD1 . 25041 1 590 . 1 1 53 53 LEU HD11 H 1 0.970 0.020 . 2 . . . . 136 LEU HD11 . 25041 1 591 . 1 1 53 53 LEU HD12 H 1 0.970 0.020 . 2 . . . . 136 LEU HD12 . 25041 1 592 . 1 1 53 53 LEU HD13 H 1 0.970 0.020 . 2 . . . . 136 LEU HD13 . 25041 1 593 . 1 1 53 53 LEU CD2 C 13 23.187 0.400 . 1 . . . . 136 LEU CD2 . 25041 1 594 . 1 1 53 53 LEU HD21 H 1 0.804 0.020 . 2 . . . . 136 LEU HD21 . 25041 1 595 . 1 1 53 53 LEU HD22 H 1 0.804 0.020 . 2 . . . . 136 LEU HD22 . 25041 1 596 . 1 1 53 53 LEU HD23 H 1 0.804 0.020 . 2 . . . . 136 LEU HD23 . 25041 1 597 . 1 1 54 54 VAL N N 15 121.010 0.400 . 1 . . . . 137 VAL N . 25041 1 598 . 1 1 54 54 VAL H H 1 8.800 0.020 . 1 . . . . 137 VAL H . 25041 1 599 . 1 1 54 54 VAL CA C 13 61.265 0.400 . 1 . . . . 137 VAL CA . 25041 1 600 . 1 1 54 54 VAL HA H 1 4.380 0.020 . 1 . . . . 137 VAL HA . 25041 1 601 . 1 1 54 54 VAL CB C 13 34.801 0.400 . 1 . . . . 137 VAL CB . 25041 1 602 . 1 1 54 54 VAL HB H 1 1.757 0.020 . 1 . . . . 137 VAL HB . 25041 1 603 . 1 1 54 54 VAL CG1 C 13 21.067 0.400 . 1 . . . . 137 VAL CG1 . 25041 1 604 . 1 1 54 54 VAL HG11 H 1 0.324 0.020 . 2 . . . . 137 VAL HG11 . 25041 1 605 . 1 1 54 54 VAL HG12 H 1 0.324 0.020 . 2 . . . . 137 VAL HG12 . 25041 1 606 . 1 1 54 54 VAL HG13 H 1 0.324 0.020 . 2 . . . . 137 VAL HG13 . 25041 1 607 . 1 1 54 54 VAL CG2 C 13 21.971 0.400 . 1 . . . . 137 VAL CG2 . 25041 1 608 . 1 1 54 54 VAL HG21 H 1 0.724 0.020 . 2 . . . . 137 VAL HG21 . 25041 1 609 . 1 1 54 54 VAL HG22 H 1 0.724 0.020 . 2 . . . . 137 VAL HG22 . 25041 1 610 . 1 1 54 54 VAL HG23 H 1 0.724 0.020 . 2 . . . . 137 VAL HG23 . 25041 1 611 . 1 1 55 55 GLU N N 15 129.076 0.400 . 1 . . . . 138 GLU N . 25041 1 612 . 1 1 55 55 GLU H H 1 9.235 0.020 . 1 . . . . 138 GLU H . 25041 1 613 . 1 1 55 55 GLU CA C 13 54.620 0.400 . 1 . . . . 138 GLU CA . 25041 1 614 . 1 1 55 55 GLU HA H 1 4.980 0.020 . 1 . . . . 138 GLU HA . 25041 1 615 . 1 1 55 55 GLU CB C 13 32.080 0.400 . 1 . . . . 138 GLU CB . 25041 1 616 . 1 1 55 55 GLU HB2 H 1 2.047 0.020 . 2 . . . . 138 GLU HB2 . 25041 1 617 . 1 1 55 55 GLU HB3 H 1 2.047 0.020 . 2 . . . . 138 GLU HB3 . 25041 1 618 . 1 1 55 55 GLU CG C 13 36.755 0.400 . 1 . . . . 138 GLU CG . 25041 1 619 . 1 1 55 55 GLU HG2 H 1 2.189 0.020 . 1 . . . . 138 GLU HG2 . 25041 1 620 . 1 1 55 55 GLU HG3 H 1 2.053 0.020 . 1 . . . . 138 GLU HG3 . 25041 1 621 . 1 1 56 56 PHE N N 15 129.077 0.400 . 1 . . . . 139 PHE N . 25041 1 622 . 1 1 56 56 PHE H H 1 9.411 0.020 . 1 . . . . 139 PHE H . 25041 1 623 . 1 1 56 56 PHE CA C 13 59.920 0.400 . 1 . . . . 139 PHE CA . 25041 1 624 . 1 1 56 56 PHE HA H 1 4.634 0.020 . 1 . . . . 139 PHE HA . 25041 1 625 . 1 1 56 56 PHE CB C 13 39.654 0.400 . 1 . . . . 139 PHE CB . 25041 1 626 . 1 1 56 56 PHE HB2 H 1 3.919 0.020 . 1 . . . . 139 PHE HB2 . 25041 1 627 . 1 1 56 56 PHE HB3 H 1 3.224 0.020 . 1 . . . . 139 PHE HB3 . 25041 1 628 . 1 1 56 56 PHE CD1 C 13 132.014 0.400 . 1 . . . . 139 PHE CD1 . 25041 1 629 . 1 1 56 56 PHE HD1 H 1 7.356 0.020 . 1 . . . . 139 PHE HD1 . 25041 1 630 . 1 1 56 56 PHE CE1 C 13 131.120 0.400 . 1 . . . . 139 PHE CE1 . 25041 1 631 . 1 1 56 56 PHE HE1 H 1 7.276 0.020 . 1 . . . . 139 PHE HE1 . 25041 1 632 . 1 1 56 56 PHE CZ C 13 128.552 0.400 . 1 . . . . 139 PHE CZ . 25041 1 633 . 1 1 56 56 PHE HZ H 1 7.147 0.020 . 1 . . . . 139 PHE HZ . 25041 1 634 . 1 1 56 56 PHE HE2 H 1 7.276 0.020 . 1 . . . . 139 PHE HE2 . 25041 1 635 . 1 1 56 56 PHE HD2 H 1 7.356 0.020 . 1 . . . . 139 PHE HD2 . 25041 1 636 . 1 1 57 57 GLU N N 15 119.702 0.400 . 1 . . . . 140 GLU N . 25041 1 637 . 1 1 57 57 GLU H H 1 8.659 0.020 . 1 . . . . 140 GLU H . 25041 1 638 . 1 1 57 57 GLU CA C 13 59.208 0.400 . 1 . . . . 140 GLU CA . 25041 1 639 . 1 1 57 57 GLU HA H 1 4.044 0.020 . 1 . . . . 140 GLU HA . 25041 1 640 . 1 1 57 57 GLU CB C 13 30.803 0.400 . 1 . . . . 140 GLU CB . 25041 1 641 . 1 1 57 57 GLU HB2 H 1 1.947 0.020 . 1 . . . . 140 GLU HB2 . 25041 1 642 . 1 1 57 57 GLU HB3 H 1 2.137 0.020 . 1 . . . . 140 GLU HB3 . 25041 1 643 . 1 1 57 57 GLU CG C 13 37.069 0.400 . 1 . . . . 140 GLU CG . 25041 1 644 . 1 1 57 57 GLU HG2 H 1 2.280 0.020 . 1 . . . . 140 GLU HG2 . 25041 1 645 . 1 1 57 57 GLU HG3 H 1 2.236 0.020 . 1 . . . . 140 GLU HG3 . 25041 1 646 . 1 1 58 58 ASP N N 15 115.108 0.400 . 1 . . . . 141 ASP N . 25041 1 647 . 1 1 58 58 ASP H H 1 8.537 0.020 . 1 . . . . 141 ASP H . 25041 1 648 . 1 1 58 58 ASP CA C 13 52.333 0.400 . 1 . . . . 141 ASP CA . 25041 1 649 . 1 1 58 58 ASP HA H 1 4.951 0.020 . 1 . . . . 141 ASP HA . 25041 1 650 . 1 1 58 58 ASP CB C 13 45.632 0.400 . 1 . . . . 141 ASP CB . 25041 1 651 . 1 1 58 58 ASP HB2 H 1 2.886 0.020 . 1 . . . . 141 ASP HB2 . 25041 1 652 . 1 1 58 58 ASP HB3 H 1 2.811 0.020 . 1 . . . . 141 ASP HB3 . 25041 1 653 . 1 1 59 59 VAL N N 15 122.226 0.400 . 1 . . . . 142 VAL N . 25041 1 654 . 1 1 59 59 VAL H H 1 8.568 0.020 . 1 . . . . 142 VAL H . 25041 1 655 . 1 1 59 59 VAL CA C 13 64.996 0.400 . 1 . . . . 142 VAL CA . 25041 1 656 . 1 1 59 59 VAL HA H 1 3.851 0.020 . 1 . . . . 142 VAL HA . 25041 1 657 . 1 1 59 59 VAL CB C 13 32.129 0.400 . 1 . . . . 142 VAL CB . 25041 1 658 . 1 1 59 59 VAL HB H 1 2.132 0.020 . 1 . . . . 142 VAL HB . 25041 1 659 . 1 1 59 59 VAL CG1 C 13 20.227 0.400 . 1 . . . . 142 VAL CG1 . 25041 1 660 . 1 1 59 59 VAL HG11 H 1 0.978 0.020 . 2 . . . . 142 VAL HG11 . 25041 1 661 . 1 1 59 59 VAL HG12 H 1 0.978 0.020 . 2 . . . . 142 VAL HG12 . 25041 1 662 . 1 1 59 59 VAL HG13 H 1 0.978 0.020 . 2 . . . . 142 VAL HG13 . 25041 1 663 . 1 1 59 59 VAL CG2 C 13 22.012 0.400 . 1 . . . . 142 VAL CG2 . 25041 1 664 . 1 1 59 59 VAL HG21 H 1 0.941 0.020 . 2 . . . . 142 VAL HG21 . 25041 1 665 . 1 1 59 59 VAL HG22 H 1 0.941 0.020 . 2 . . . . 142 VAL HG22 . 25041 1 666 . 1 1 59 59 VAL HG23 H 1 0.941 0.020 . 2 . . . . 142 VAL HG23 . 25041 1 667 . 1 1 60 60 LEU N N 15 121.650 0.400 . 1 . . . . 143 LEU N . 25041 1 668 . 1 1 60 60 LEU H H 1 8.488 0.020 . 1 . . . . 143 LEU H . 25041 1 669 . 1 1 60 60 LEU CA C 13 58.321 0.400 . 1 . . . . 143 LEU CA . 25041 1 670 . 1 1 60 60 LEU HA H 1 4.025 0.020 . 1 . . . . 143 LEU HA . 25041 1 671 . 1 1 60 60 LEU CB C 13 41.318 0.400 . 1 . . . . 143 LEU CB . 25041 1 672 . 1 1 60 60 LEU HB2 H 1 1.777 0.020 . 1 . . . . 143 LEU HB2 . 25041 1 673 . 1 1 60 60 LEU HB3 H 1 1.668 0.020 . 1 . . . . 143 LEU HB3 . 25041 1 674 . 1 1 60 60 LEU CG C 13 27.154 0.400 . 1 . . . . 143 LEU CG . 25041 1 675 . 1 1 60 60 LEU HG H 1 1.755 0.020 . 1 . . . . 143 LEU HG . 25041 1 676 . 1 1 60 60 LEU CD1 C 13 24.439 0.400 . 1 . . . . 143 LEU CD1 . 25041 1 677 . 1 1 60 60 LEU HD11 H 1 1.004 0.020 . 2 . . . . 143 LEU HD11 . 25041 1 678 . 1 1 60 60 LEU HD12 H 1 1.004 0.020 . 2 . . . . 143 LEU HD12 . 25041 1 679 . 1 1 60 60 LEU HD13 H 1 1.004 0.020 . 2 . . . . 143 LEU HD13 . 25041 1 680 . 1 1 60 60 LEU CD2 C 13 24.170 0.400 . 1 . . . . 143 LEU CD2 . 25041 1 681 . 1 1 60 60 LEU HD21 H 1 0.962 0.020 . 2 . . . . 143 LEU HD21 . 25041 1 682 . 1 1 60 60 LEU HD22 H 1 0.962 0.020 . 2 . . . . 143 LEU HD22 . 25041 1 683 . 1 1 60 60 LEU HD23 H 1 0.962 0.020 . 2 . . . . 143 LEU HD23 . 25041 1 684 . 1 1 61 61 GLY N N 15 105.914 0.400 . 1 . . . . 144 GLY N . 25041 1 685 . 1 1 61 61 GLY H H 1 7.705 0.020 . 1 . . . . 144 GLY H . 25041 1 686 . 1 1 61 61 GLY CA C 13 47.200 0.400 . 1 . . . . 144 GLY CA . 25041 1 687 . 1 1 61 61 GLY HA2 H 1 3.755 0.020 . 2 . . . . 144 GLY HA2 . 25041 1 688 . 1 1 61 61 GLY HA3 H 1 3.476 0.020 . 2 . . . . 144 GLY HA3 . 25041 1 689 . 1 1 62 62 ALA N N 15 122.184 0.400 . 1 . . . . 145 ALA N . 25041 1 690 . 1 1 62 62 ALA H H 1 6.226 0.020 . 1 . . . . 145 ALA H . 25041 1 691 . 1 1 62 62 ALA CA C 13 54.981 0.400 . 1 . . . . 145 ALA CA . 25041 1 692 . 1 1 62 62 ALA HA H 1 3.351 0.020 . 1 . . . . 145 ALA HA . 25041 1 693 . 1 1 62 62 ALA CB C 13 20.841 0.400 . 1 . . . . 145 ALA CB . 25041 1 694 . 1 1 62 62 ALA HB1 H 1 1.839 0.020 . 1 . . . . 145 ALA HB1 . 25041 1 695 . 1 1 62 62 ALA HB2 H 1 1.839 0.020 . 1 . . . . 145 ALA HB2 . 25041 1 696 . 1 1 62 62 ALA HB3 H 1 1.839 0.020 . 1 . . . . 145 ALA HB3 . 25041 1 697 . 1 1 63 63 CYS N N 15 116.202 0.400 . 1 . . . . 146 CYS N . 25041 1 698 . 1 1 63 63 CYS H H 1 8.722 0.020 . 1 . . . . 146 CYS H . 25041 1 699 . 1 1 63 63 CYS CA C 13 61.112 0.400 . 1 . . . . 146 CYS CA . 25041 1 700 . 1 1 63 63 CYS HA H 1 4.646 0.020 . 1 . . . . 146 CYS HA . 25041 1 701 . 1 1 63 63 CYS CB C 13 26.907 0.400 . 1 . . . . 146 CYS CB . 25041 1 702 . 1 1 63 63 CYS HB2 H 1 3.029 0.020 . 2 . . . . 146 CYS HB2 . 25041 1 703 . 1 1 63 63 CYS HB3 H 1 2.962 0.020 . 2 . . . . 146 CYS HB3 . 25041 1 704 . 1 1 64 64 ASN N N 15 118.569 0.400 . 1 . . . . 147 ASN N . 25041 1 705 . 1 1 64 64 ASN H H 1 8.349 0.020 . 1 . . . . 147 ASN H . 25041 1 706 . 1 1 64 64 ASN CA C 13 55.683 0.400 . 1 . . . . 147 ASN CA . 25041 1 707 . 1 1 64 64 ASN HA H 1 4.468 0.020 . 1 . . . . 147 ASN HA . 25041 1 708 . 1 1 64 64 ASN CB C 13 37.541 0.400 . 1 . . . . 147 ASN CB . 25041 1 709 . 1 1 64 64 ASN HB2 H 1 3.364 0.020 . 1 . . . . 147 ASN HB2 . 25041 1 710 . 1 1 64 64 ASN HB3 H 1 3.037 0.020 . 1 . . . . 147 ASN HB3 . 25041 1 711 . 1 1 64 64 ASN ND2 N 15 109.938 0.400 . 1 . . . . 147 ASN ND2 . 25041 1 712 . 1 1 64 64 ASN HD21 H 1 7.844 0.020 . 1 . . . . 147 ASN HD21 . 25041 1 713 . 1 1 64 64 ASN HD22 H 1 6.782 0.020 . 1 . . . . 147 ASN HD22 . 25041 1 714 . 1 1 65 65 ALA N N 15 123.371 0.400 . 1 . . . . 148 ALA N . 25041 1 715 . 1 1 65 65 ALA H H 1 7.458 0.020 . 1 . . . . 148 ALA H . 25041 1 716 . 1 1 65 65 ALA CA C 13 54.917 0.400 . 1 . . . . 148 ALA CA . 25041 1 717 . 1 1 65 65 ALA HA H 1 2.353 0.020 . 1 . . . . 148 ALA HA . 25041 1 718 . 1 1 65 65 ALA CB C 13 18.204 0.400 . 1 . . . . 148 ALA CB . 25041 1 719 . 1 1 65 65 ALA HB1 H 1 1.011 0.020 . 1 . . . . 148 ALA HB1 . 25041 1 720 . 1 1 65 65 ALA HB2 H 1 1.011 0.020 . 1 . . . . 148 ALA HB2 . 25041 1 721 . 1 1 65 65 ALA HB3 H 1 1.011 0.020 . 1 . . . . 148 ALA HB3 . 25041 1 722 . 1 1 66 66 VAL N N 15 117.566 0.400 . 1 . . . . 149 VAL N . 25041 1 723 . 1 1 66 66 VAL H H 1 8.323 0.020 . 1 . . . . 149 VAL H . 25041 1 724 . 1 1 66 66 VAL CB C 13 31.489 0.400 . 1 . . . . 149 VAL CB . 25041 1 725 . 1 1 66 66 VAL HB H 1 1.730 0.020 . 1 . . . . 149 VAL HB . 25041 1 726 . 1 1 66 66 VAL CG1 C 13 21.003 0.400 . 1 . . . . 149 VAL CG1 . 25041 1 727 . 1 1 66 66 VAL HG11 H 1 0.619 0.020 . 2 . . . . 149 VAL HG11 . 25041 1 728 . 1 1 66 66 VAL HG12 H 1 0.619 0.020 . 2 . . . . 149 VAL HG12 . 25041 1 729 . 1 1 66 66 VAL HG13 H 1 0.619 0.020 . 2 . . . . 149 VAL HG13 . 25041 1 730 . 1 1 66 66 VAL CG2 C 13 23.612 0.400 . 1 . . . . 149 VAL CG2 . 25041 1 731 . 1 1 66 66 VAL HG21 H 1 0.162 0.020 . 2 . . . . 149 VAL HG21 . 25041 1 732 . 1 1 66 66 VAL HG22 H 1 0.162 0.020 . 2 . . . . 149 VAL HG22 . 25041 1 733 . 1 1 66 66 VAL HG23 H 1 0.162 0.020 . 2 . . . . 149 VAL HG23 . 25041 1 734 . 1 1 67 67 ASN N N 15 117.892 0.400 . 1 . . . . 150 ASN N . 25041 1 735 . 1 1 67 67 ASN H H 1 8.831 0.020 . 1 . . . . 150 ASN H . 25041 1 736 . 1 1 67 67 ASN CA C 13 55.982 0.400 . 1 . . . . 150 ASN CA . 25041 1 737 . 1 1 67 67 ASN HA H 1 4.507 0.020 . 1 . . . . 150 ASN HA . 25041 1 738 . 1 1 67 67 ASN CB C 13 37.782 0.400 . 1 . . . . 150 ASN CB . 25041 1 739 . 1 1 67 67 ASN HB2 H 1 2.991 0.020 . 2 . . . . 150 ASN HB2 . 25041 1 740 . 1 1 67 67 ASN HB3 H 1 2.738 0.020 . 2 . . . . 150 ASN HB3 . 25041 1 741 . 1 1 68 68 TYR N N 15 122.701 0.400 . 1 . . . . 151 TYR N . 25041 1 742 . 1 1 68 68 TYR H H 1 7.997 0.020 . 1 . . . . 151 TYR H . 25041 1 743 . 1 1 68 68 TYR CA C 13 62.123 0.400 . 1 . . . . 151 TYR CA . 25041 1 744 . 1 1 68 68 TYR HA H 1 4.195 0.020 . 1 . . . . 151 TYR HA . 25041 1 745 . 1 1 68 68 TYR CB C 13 39.257 0.400 . 1 . . . . 151 TYR CB . 25041 1 746 . 1 1 68 68 TYR HB2 H 1 3.256 0.020 . 1 . . . . 151 TYR HB2 . 25041 1 747 . 1 1 68 68 TYR HB3 H 1 2.919 0.020 . 1 . . . . 151 TYR HB3 . 25041 1 748 . 1 1 68 68 TYR CD1 C 13 133.964 0.400 . 1 . . . . 151 TYR CD1 . 25041 1 749 . 1 1 68 68 TYR HD1 H 1 7.115 0.020 . 1 . . . . 151 TYR HD1 . 25041 1 750 . 1 1 68 68 TYR CE1 C 13 118.315 0.400 . 1 . . . . 151 TYR CE1 . 25041 1 751 . 1 1 68 68 TYR HE1 H 1 6.844 0.020 . 1 . . . . 151 TYR HE1 . 25041 1 752 . 1 1 68 68 TYR HE2 H 1 6.844 0.020 . 1 . . . . 151 TYR HE2 . 25041 1 753 . 1 1 68 68 TYR HD2 H 1 7.115 0.020 . 1 . . . . 151 TYR HD2 . 25041 1 754 . 1 1 69 69 ALA N N 15 120.281 0.400 . 1 . . . . 152 ALA N . 25041 1 755 . 1 1 69 69 ALA H H 1 8.033 0.020 . 1 . . . . 152 ALA H . 25041 1 756 . 1 1 69 69 ALA CA C 13 52.662 0.400 . 1 . . . . 152 ALA CA . 25041 1 757 . 1 1 69 69 ALA HA H 1 4.566 0.020 . 1 . . . . 152 ALA HA . 25041 1 758 . 1 1 69 69 ALA CB C 13 18.862 0.400 . 1 . . . . 152 ALA CB . 25041 1 759 . 1 1 69 69 ALA HB1 H 1 1.567 0.020 . 1 . . . . 152 ALA HB1 . 25041 1 760 . 1 1 69 69 ALA HB2 H 1 1.567 0.020 . 1 . . . . 152 ALA HB2 . 25041 1 761 . 1 1 69 69 ALA HB3 H 1 1.567 0.020 . 1 . . . . 152 ALA HB3 . 25041 1 762 . 1 1 70 70 ALA N N 15 120.167 0.400 . 1 . . . . 153 ALA N . 25041 1 763 . 1 1 70 70 ALA H H 1 7.478 0.020 . 1 . . . . 153 ALA H . 25041 1 764 . 1 1 70 70 ALA CA C 13 54.851 0.400 . 1 . . . . 153 ALA CA . 25041 1 765 . 1 1 70 70 ALA HA H 1 4.165 0.020 . 1 . . . . 153 ALA HA . 25041 1 766 . 1 1 70 70 ALA CB C 13 18.438 0.400 . 1 . . . . 153 ALA CB . 25041 1 767 . 1 1 70 70 ALA HB1 H 1 1.506 0.020 . 1 . . . . 153 ALA HB1 . 25041 1 768 . 1 1 70 70 ALA HB2 H 1 1.506 0.020 . 1 . . . . 153 ALA HB2 . 25041 1 769 . 1 1 70 70 ALA HB3 H 1 1.506 0.020 . 1 . . . . 153 ALA HB3 . 25041 1 770 . 1 1 71 71 ASP N N 15 112.932 0.400 . 1 . . . . 154 ASP N . 25041 1 771 . 1 1 71 71 ASP H H 1 7.099 0.020 . 1 . . . . 154 ASP H . 25041 1 772 . 1 1 71 71 ASP CA C 13 53.966 0.400 . 1 . . . . 154 ASP CA . 25041 1 773 . 1 1 71 71 ASP HA H 1 4.914 0.020 . 1 . . . . 154 ASP HA . 25041 1 774 . 1 1 71 71 ASP CB C 13 43.368 0.400 . 1 . . . . 154 ASP CB . 25041 1 775 . 1 1 71 71 ASP HB2 H 1 2.636 0.020 . 2 . . . . 154 ASP HB2 . 25041 1 776 . 1 1 71 71 ASP HB3 H 1 2.636 0.020 . 2 . . . . 154 ASP HB3 . 25041 1 777 . 1 1 72 72 ASN N N 15 118.008 0.400 . 1 . . . . 155 ASN N . 25041 1 778 . 1 1 72 72 ASN H H 1 7.692 0.020 . 1 . . . . 155 ASN H . 25041 1 779 . 1 1 72 72 ASN CA C 13 52.016 0.400 . 1 . . . . 155 ASN CA . 25041 1 780 . 1 1 72 72 ASN HA H 1 4.773 0.020 . 1 . . . . 155 ASN HA . 25041 1 781 . 1 1 72 72 ASN CB C 13 42.375 0.400 . 1 . . . . 155 ASN CB . 25041 1 782 . 1 1 72 72 ASN HB2 H 1 1.664 0.020 . 1 . . . . 155 ASN HB2 . 25041 1 783 . 1 1 72 72 ASN HB3 H 1 2.149 0.020 . 1 . . . . 155 ASN HB3 . 25041 1 784 . 1 1 73 73 GLN N N 15 117.637 0.400 . 1 . . . . 156 GLN N . 25041 1 785 . 1 1 73 73 GLN H H 1 8.182 0.020 . 1 . . . . 156 GLN H . 25041 1 786 . 1 1 73 73 GLN CA C 13 55.272 0.400 . 1 . . . . 156 GLN CA . 25041 1 787 . 1 1 73 73 GLN HA H 1 4.372 0.020 . 1 . . . . 156 GLN HA . 25041 1 788 . 1 1 73 73 GLN CB C 13 30.672 0.400 . 1 . . . . 156 GLN CB . 25041 1 789 . 1 1 73 73 GLN HB2 H 1 1.950 0.020 . 1 . . . . 156 GLN HB2 . 25041 1 790 . 1 1 73 73 GLN HB3 H 1 1.761 0.020 . 1 . . . . 156 GLN HB3 . 25041 1 791 . 1 1 73 73 GLN CG C 13 34.148 0.400 . 1 . . . . 156 GLN CG . 25041 1 792 . 1 1 73 73 GLN HG2 H 1 2.020 0.020 . 2 . . . . 156 GLN HG2 . 25041 1 793 . 1 1 73 73 GLN HG3 H 1 1.753 0.020 . 2 . . . . 156 GLN HG3 . 25041 1 794 . 1 1 74 74 ILE N N 15 125.954 0.400 . 1 . . . . 157 ILE N . 25041 1 795 . 1 1 74 74 ILE H H 1 8.889 0.020 . 1 . . . . 157 ILE H . 25041 1 796 . 1 1 74 74 ILE CB C 13 39.088 0.400 . 1 . . . . 157 ILE CB . 25041 1 797 . 1 1 74 74 ILE HB H 1 1.748 0.020 . 1 . . . . 157 ILE HB . 25041 1 798 . 1 1 74 74 ILE CG2 C 13 16.639 0.400 . 1 . . . . 157 ILE CG2 . 25041 1 799 . 1 1 74 74 ILE HG21 H 1 0.833 0.020 . 1 . . . . 157 ILE HG21 . 25041 1 800 . 1 1 74 74 ILE HG22 H 1 0.833 0.020 . 1 . . . . 157 ILE HG22 . 25041 1 801 . 1 1 74 74 ILE HG23 H 1 0.833 0.020 . 1 . . . . 157 ILE HG23 . 25041 1 802 . 1 1 74 74 ILE CG1 C 13 28.842 0.400 . 1 . . . . 157 ILE CG1 . 25041 1 803 . 1 1 74 74 ILE HG12 H 1 1.358 0.020 . 1 . . . . 157 ILE HG12 . 25041 1 804 . 1 1 74 74 ILE HG13 H 1 1.773 0.020 . 1 . . . . 157 ILE HG13 . 25041 1 805 . 1 1 74 74 ILE CD1 C 13 13.738 0.400 . 1 . . . . 157 ILE CD1 . 25041 1 806 . 1 1 74 74 ILE HD11 H 1 0.963 0.020 . 1 . . . . 157 ILE HD11 . 25041 1 807 . 1 1 74 74 ILE HD12 H 1 0.963 0.020 . 1 . . . . 157 ILE HD12 . 25041 1 808 . 1 1 74 74 ILE HD13 H 1 0.963 0.020 . 1 . . . . 157 ILE HD13 . 25041 1 809 . 1 1 75 75 TYR N N 15 126.230 0.400 . 1 . . . . 158 TYR N . 25041 1 810 . 1 1 75 75 TYR H H 1 8.711 0.020 . 1 . . . . 158 TYR H . 25041 1 811 . 1 1 75 75 TYR CA C 13 57.178 0.400 . 1 . . . . 158 TYR CA . 25041 1 812 . 1 1 75 75 TYR HA H 1 4.650 0.020 . 1 . . . . 158 TYR HA . 25041 1 813 . 1 1 75 75 TYR CB C 13 40.549 0.400 . 1 . . . . 158 TYR CB . 25041 1 814 . 1 1 75 75 TYR HB2 H 1 2.860 0.020 . 1 . . . . 158 TYR HB2 . 25041 1 815 . 1 1 75 75 TYR HB3 H 1 2.347 0.020 . 1 . . . . 158 TYR HB3 . 25041 1 816 . 1 1 75 75 TYR CD1 C 13 132.493 0.400 . 1 . . . . 158 TYR CD1 . 25041 1 817 . 1 1 75 75 TYR HD1 H 1 6.750 0.020 . 1 . . . . 158 TYR HD1 . 25041 1 818 . 1 1 75 75 TYR CE1 C 13 118.077 0.400 . 1 . . . . 158 TYR CE1 . 25041 1 819 . 1 1 75 75 TYR HE1 H 1 6.750 0.020 . 1 . . . . 158 TYR HE1 . 25041 1 820 . 1 1 75 75 TYR HE2 H 1 6.750 0.020 . 1 . . . . 158 TYR HE2 . 25041 1 821 . 1 1 75 75 TYR HD2 H 1 6.750 0.020 . 1 . . . . 158 TYR HD2 . 25041 1 822 . 1 1 76 76 ILE N N 15 121.130 0.400 . 1 . . . . 159 ILE N . 25041 1 823 . 1 1 76 76 ILE H H 1 8.845 0.020 . 1 . . . . 159 ILE H . 25041 1 824 . 1 1 76 76 ILE CA C 13 60.121 0.400 . 1 . . . . 159 ILE CA . 25041 1 825 . 1 1 76 76 ILE HA H 1 4.220 0.020 . 1 . . . . 159 ILE HA . 25041 1 826 . 1 1 76 76 ILE CB C 13 39.186 0.400 . 1 . . . . 159 ILE CB . 25041 1 827 . 1 1 76 76 ILE HB H 1 1.710 0.020 . 1 . . . . 159 ILE HB . 25041 1 828 . 1 1 76 76 ILE CG2 C 13 17.900 0.400 . 1 . . . . 159 ILE CG2 . 25041 1 829 . 1 1 76 76 ILE HG21 H 1 0.703 0.020 . 1 . . . . 159 ILE HG21 . 25041 1 830 . 1 1 76 76 ILE HG22 H 1 0.703 0.020 . 1 . . . . 159 ILE HG22 . 25041 1 831 . 1 1 76 76 ILE HG23 H 1 0.703 0.020 . 1 . . . . 159 ILE HG23 . 25041 1 832 . 1 1 76 76 ILE CG1 C 13 27.276 0.400 . 1 . . . . 159 ILE CG1 . 25041 1 833 . 1 1 76 76 ILE HG12 H 1 1.293 0.020 . 1 . . . . 159 ILE HG12 . 25041 1 834 . 1 1 76 76 ILE HG13 H 1 0.963 0.020 . 1 . . . . 159 ILE HG13 . 25041 1 835 . 1 1 76 76 ILE CD1 C 13 13.420 0.400 . 1 . . . . 159 ILE CD1 . 25041 1 836 . 1 1 76 76 ILE HD11 H 1 0.641 0.020 . 1 . . . . 159 ILE HD11 . 25041 1 837 . 1 1 76 76 ILE HD12 H 1 0.641 0.020 . 1 . . . . 159 ILE HD12 . 25041 1 838 . 1 1 76 76 ILE HD13 H 1 0.641 0.020 . 1 . . . . 159 ILE HD13 . 25041 1 839 . 1 1 77 77 ALA N N 15 131.837 0.400 . 1 . . . . 160 ALA N . 25041 1 840 . 1 1 77 77 ALA H H 1 9.666 0.020 . 1 . . . . 160 ALA H . 25041 1 841 . 1 1 77 77 ALA CA C 13 52.999 0.400 . 1 . . . . 160 ALA CA . 25041 1 842 . 1 1 77 77 ALA HA H 1 4.098 0.020 . 1 . . . . 160 ALA HA . 25041 1 843 . 1 1 77 77 ALA CB C 13 17.432 0.400 . 1 . . . . 160 ALA CB . 25041 1 844 . 1 1 77 77 ALA HB1 H 1 1.414 0.020 . 1 . . . . 160 ALA HB1 . 25041 1 845 . 1 1 77 77 ALA HB2 H 1 1.414 0.020 . 1 . . . . 160 ALA HB2 . 25041 1 846 . 1 1 77 77 ALA HB3 H 1 1.414 0.020 . 1 . . . . 160 ALA HB3 . 25041 1 847 . 1 1 78 78 GLY N N 15 101.699 0.400 . 1 . . . . 161 GLY N . 25041 1 848 . 1 1 78 78 GLY H H 1 8.684 0.020 . 1 . . . . 161 GLY H . 25041 1 849 . 1 1 78 78 GLY CA C 13 45.471 0.400 . 1 . . . . 161 GLY CA . 25041 1 850 . 1 1 78 78 GLY HA2 H 1 4.170 0.020 . 2 . . . . 161 GLY HA2 . 25041 1 851 . 1 1 78 78 GLY HA3 H 1 3.613 0.020 . 2 . . . . 161 GLY HA3 . 25041 1 852 . 1 1 79 79 HIS N N 15 120.000 0.400 . 1 . . . . 162 HIS N . 25041 1 853 . 1 1 79 79 HIS H H 1 7.939 0.020 . 1 . . . . 162 HIS H . 25041 1 854 . 1 1 79 79 HIS CA C 13 53.661 0.400 . 1 . . . . 162 HIS CA . 25041 1 855 . 1 1 79 79 HIS HA H 1 5.193 0.020 . 1 . . . . 162 HIS HA . 25041 1 856 . 1 1 79 79 HIS CB C 13 31.995 0.400 . 1 . . . . 162 HIS CB . 25041 1 857 . 1 1 79 79 HIS HB2 H 1 3.364 0.020 . 2 . . . . 162 HIS HB2 . 25041 1 858 . 1 1 79 79 HIS HB3 H 1 2.996 0.020 . 2 . . . . 162 HIS HB3 . 25041 1 859 . 1 1 79 79 HIS CD2 C 13 121.793 0.400 . 1 . . . . 162 HIS CD2 . 25041 1 860 . 1 1 79 79 HIS CE1 C 13 137.572 0.400 . 1 . . . . 162 HIS CE1 . 25041 1 861 . 1 1 79 79 HIS HD2 H 1 7.513 0.020 . 1 . . . . 162 HIS HD2 . 25041 1 862 . 1 1 79 79 HIS HE1 H 1 8.432 0.020 . 1 . . . . 162 HIS HE1 . 25041 1 863 . 1 1 80 80 PRO CD C 13 50.824 0.400 . 1 . . . . 163 PRO CD . 25041 1 864 . 1 1 80 80 PRO CA C 13 63.355 0.400 . 1 . . . . 163 PRO CA . 25041 1 865 . 1 1 80 80 PRO HA H 1 4.206 0.020 . 1 . . . . 163 PRO HA . 25041 1 866 . 1 1 80 80 PRO CB C 13 32.188 0.400 . 1 . . . . 163 PRO CB . 25041 1 867 . 1 1 80 80 PRO HB2 H 1 1.643 0.020 . 2 . . . . 163 PRO HB2 . 25041 1 868 . 1 1 80 80 PRO HB3 H 1 1.643 0.020 . 2 . . . . 163 PRO HB3 . 25041 1 869 . 1 1 80 80 PRO CG C 13 27.516 0.400 . 1 . . . . 163 PRO CG . 25041 1 870 . 1 1 80 80 PRO HG2 H 1 1.813 0.020 . 1 . . . . 163 PRO HG2 . 25041 1 871 . 1 1 80 80 PRO HG3 H 1 2.078 0.020 . 1 . . . . 163 PRO HG3 . 25041 1 872 . 1 1 80 80 PRO HD2 H 1 3.550 0.020 . 1 . . . . 163 PRO HD2 . 25041 1 873 . 1 1 80 80 PRO HD3 H 1 3.772 0.020 . 1 . . . . 163 PRO HD3 . 25041 1 874 . 1 1 81 81 ALA N N 15 124.710 0.400 . 1 . . . . 164 ALA N . 25041 1 875 . 1 1 81 81 ALA H H 1 7.931 0.020 . 1 . . . . 164 ALA H . 25041 1 876 . 1 1 81 81 ALA CA C 13 50.253 0.400 . 1 . . . . 164 ALA CA . 25041 1 877 . 1 1 81 81 ALA HA H 1 4.452 0.020 . 1 . . . . 164 ALA HA . 25041 1 878 . 1 1 81 81 ALA CB C 13 22.680 0.400 . 1 . . . . 164 ALA CB . 25041 1 879 . 1 1 81 81 ALA HB1 H 1 1.120 0.020 . 1 . . . . 164 ALA HB1 . 25041 1 880 . 1 1 81 81 ALA HB2 H 1 1.120 0.020 . 1 . . . . 164 ALA HB2 . 25041 1 881 . 1 1 81 81 ALA HB3 H 1 1.120 0.020 . 1 . . . . 164 ALA HB3 . 25041 1 882 . 1 1 82 82 PHE N N 15 117.038 0.400 . 1 . . . . 165 PHE N . 25041 1 883 . 1 1 82 82 PHE H H 1 8.058 0.020 . 1 . . . . 165 PHE H . 25041 1 884 . 1 1 82 82 PHE CA C 13 57.232 0.400 . 1 . . . . 165 PHE CA . 25041 1 885 . 1 1 82 82 PHE HA H 1 4.923 0.020 . 1 . . . . 165 PHE HA . 25041 1 886 . 1 1 82 82 PHE CB C 13 41.012 0.400 . 1 . . . . 165 PHE CB . 25041 1 887 . 1 1 82 82 PHE HB2 H 1 3.078 0.020 . 2 . . . . 165 PHE HB2 . 25041 1 888 . 1 1 82 82 PHE HB3 H 1 2.515 0.020 . 2 . . . . 165 PHE HB3 . 25041 1 889 . 1 1 82 82 PHE CD1 C 13 131.738 0.400 . 1 . . . . 165 PHE CD1 . 25041 1 890 . 1 1 82 82 PHE HD1 H 1 7.142 0.020 . 1 . . . . 165 PHE HD1 . 25041 1 891 . 1 1 82 82 PHE CE1 C 13 131.313 0.400 . 1 . . . . 165 PHE CE1 . 25041 1 892 . 1 1 82 82 PHE HE1 H 1 7.341 0.020 . 1 . . . . 165 PHE HE1 . 25041 1 893 . 1 1 82 82 PHE CZ C 13 129.743 0.400 . 1 . . . . 165 PHE CZ . 25041 1 894 . 1 1 82 82 PHE HZ H 1 7.254 0.020 . 1 . . . . 165 PHE HZ . 25041 1 895 . 1 1 82 82 PHE HE2 H 1 7.341 0.020 . 1 . . . . 165 PHE HE2 . 25041 1 896 . 1 1 82 82 PHE HD2 H 1 7.142 0.020 . 1 . . . . 165 PHE HD2 . 25041 1 897 . 1 1 83 83 VAL N N 15 120.014 0.400 . 1 . . . . 166 VAL N . 25041 1 898 . 1 1 83 83 VAL H H 1 8.587 0.020 . 1 . . . . 166 VAL H . 25041 1 899 . 1 1 83 83 VAL CA C 13 60.564 0.400 . 1 . . . . 166 VAL CA . 25041 1 900 . 1 1 83 83 VAL HA H 1 5.009 0.020 . 1 . . . . 166 VAL HA . 25041 1 901 . 1 1 83 83 VAL CB C 13 35.036 0.400 . 1 . . . . 166 VAL CB . 25041 1 902 . 1 1 83 83 VAL HB H 1 1.759 0.020 . 1 . . . . 166 VAL HB . 25041 1 903 . 1 1 83 83 VAL CG1 C 13 21.004 0.400 . 1 . . . . 166 VAL CG1 . 25041 1 904 . 1 1 83 83 VAL HG11 H 1 0.766 0.020 . 2 . . . . 166 VAL HG11 . 25041 1 905 . 1 1 83 83 VAL HG12 H 1 0.766 0.020 . 2 . . . . 166 VAL HG12 . 25041 1 906 . 1 1 83 83 VAL HG13 H 1 0.766 0.020 . 2 . . . . 166 VAL HG13 . 25041 1 907 . 1 1 83 83 VAL CG2 C 13 21.121 0.400 . 1 . . . . 166 VAL CG2 . 25041 1 908 . 1 1 83 83 VAL HG21 H 1 0.685 0.020 . 2 . . . . 166 VAL HG21 . 25041 1 909 . 1 1 83 83 VAL HG22 H 1 0.685 0.020 . 2 . . . . 166 VAL HG22 . 25041 1 910 . 1 1 83 83 VAL HG23 H 1 0.685 0.020 . 2 . . . . 166 VAL HG23 . 25041 1 911 . 1 1 84 84 ASN N N 15 122.115 0.400 . 1 . . . . 167 ASN N . 25041 1 912 . 1 1 84 84 ASN H H 1 8.665 0.020 . 1 . . . . 167 ASN H . 25041 1 913 . 1 1 84 84 ASN CA C 13 51.277 0.400 . 1 . . . . 167 ASN CA . 25041 1 914 . 1 1 84 84 ASN HA H 1 4.850 0.020 . 1 . . . . 167 ASN HA . 25041 1 915 . 1 1 84 84 ASN CB C 13 42.479 0.400 . 1 . . . . 167 ASN CB . 25041 1 916 . 1 1 84 84 ASN HB2 H 1 2.972 0.020 . 2 . . . . 167 ASN HB2 . 25041 1 917 . 1 1 84 84 ASN HB3 H 1 2.972 0.020 . 2 . . . . 167 ASN HB3 . 25041 1 918 . 1 1 84 84 ASN ND2 N 15 112.671 0.400 . 1 . . . . 167 ASN ND2 . 25041 1 919 . 1 1 84 84 ASN HD21 H 1 8.339 0.020 . 2 . . . . 167 ASN HD21 . 25041 1 920 . 1 1 84 84 ASN HD22 H 1 7.090 0.020 . 2 . . . . 167 ASN HD22 . 25041 1 921 . 1 1 85 85 TYR N N 15 121.318 0.400 . 1 . . . . 168 TYR N . 25041 1 922 . 1 1 85 85 TYR H H 1 8.420 0.020 . 1 . . . . 168 TYR H . 25041 1 923 . 1 1 85 85 TYR CA C 13 60.241 0.400 . 1 . . . . 168 TYR CA . 25041 1 924 . 1 1 85 85 TYR HA H 1 4.739 0.020 . 1 . . . . 168 TYR HA . 25041 1 925 . 1 1 85 85 TYR CB C 13 39.047 0.400 . 1 . . . . 168 TYR CB . 25041 1 926 . 1 1 85 85 TYR HB2 H 1 2.664 0.020 . 1 . . . . 168 TYR HB2 . 25041 1 927 . 1 1 85 85 TYR HB3 H 1 3.286 0.020 . 1 . . . . 168 TYR HB3 . 25041 1 928 . 1 1 85 85 TYR CD1 C 13 133.341 0.400 . 1 . . . . 168 TYR CD1 . 25041 1 929 . 1 1 85 85 TYR HD1 H 1 7.373 0.020 . 1 . . . . 168 TYR HD1 . 25041 1 930 . 1 1 85 85 TYR CE1 C 13 118.990 0.400 . 1 . . . . 168 TYR CE1 . 25041 1 931 . 1 1 85 85 TYR HE1 H 1 6.804 0.020 . 1 . . . . 168 TYR HE1 . 25041 1 932 . 1 1 85 85 TYR HE2 H 1 6.804 0.020 . 1 . . . . 168 TYR HE2 . 25041 1 933 . 1 1 85 85 TYR HD2 H 1 7.373 0.020 . 1 . . . . 168 TYR HD2 . 25041 1 934 . 1 1 86 86 SER N N 15 116.265 0.400 . 1 . . . . 169 SER N . 25041 1 935 . 1 1 86 86 SER H H 1 9.137 0.020 . 1 . . . . 169 SER H . 25041 1 936 . 1 1 86 86 SER CA C 13 58.409 0.400 . 1 . . . . 169 SER CA . 25041 1 937 . 1 1 86 86 SER HA H 1 4.732 0.020 . 1 . . . . 169 SER HA . 25041 1 938 . 1 1 86 86 SER CB C 13 64.023 0.400 . 1 . . . . 169 SER CB . 25041 1 939 . 1 1 86 86 SER HB2 H 1 3.861 0.020 . 2 . . . . 169 SER HB2 . 25041 1 940 . 1 1 86 86 SER HB3 H 1 3.710 0.020 . 2 . . . . 169 SER HB3 . 25041 1 941 . 1 1 87 87 THR CA C 13 63.848 0.400 . 1 . . . . 170 THR CA . 25041 1 942 . 1 1 87 87 THR HA H 1 4.108 0.020 . 1 . . . . 170 THR HA . 25041 1 943 . 1 1 87 87 THR CB C 13 68.615 0.400 . 1 . . . . 170 THR CB . 25041 1 944 . 1 1 87 87 THR HB H 1 4.324 0.020 . 1 . . . . 170 THR HB . 25041 1 945 . 1 1 87 87 THR CG2 C 13 22.428 0.400 . 1 . . . . 170 THR CG2 . 25041 1 946 . 1 1 87 87 THR HG21 H 1 1.270 0.020 . 1 . . . . 170 THR HG21 . 25041 1 947 . 1 1 87 87 THR HG22 H 1 1.270 0.020 . 1 . . . . 170 THR HG22 . 25041 1 948 . 1 1 87 87 THR HG23 H 1 1.270 0.020 . 1 . . . . 170 THR HG23 . 25041 1 949 . 1 1 88 88 SER N N 15 119.649 0.400 . 1 . . . . 171 SER N . 25041 1 950 . 1 1 88 88 SER H H 1 8.986 0.020 . 1 . . . . 171 SER H . 25041 1 951 . 1 1 88 88 SER CA C 13 58.917 0.400 . 1 . . . . 171 SER CA . 25041 1 952 . 1 1 88 88 SER HA H 1 4.622 0.020 . 1 . . . . 171 SER HA . 25041 1 953 . 1 1 88 88 SER CB C 13 64.008 0.400 . 1 . . . . 171 SER CB . 25041 1 954 . 1 1 88 88 SER HB2 H 1 3.869 0.020 . 2 . . . . 171 SER HB2 . 25041 1 955 . 1 1 88 88 SER HB3 H 1 3.869 0.020 . 2 . . . . 171 SER HB3 . 25041 1 956 . 1 1 89 89 GLN N N 15 120.803 0.400 . 1 . . . . 172 GLN N . 25041 1 957 . 1 1 89 89 GLN H H 1 8.716 0.020 . 1 . . . . 172 GLN H . 25041 1 958 . 1 1 89 89 GLN CA C 13 56.081 0.400 . 1 . . . . 172 GLN CA . 25041 1 959 . 1 1 89 89 GLN HA H 1 4.475 0.020 . 1 . . . . 172 GLN HA . 25041 1 960 . 1 1 89 89 GLN CB C 13 29.431 0.400 . 1 . . . . 172 GLN CB . 25041 1 961 . 1 1 89 89 GLN HB2 H 1 2.431 0.020 . 1 . . . . 172 GLN HB2 . 25041 1 962 . 1 1 89 89 GLN HB3 H 1 1.850 0.020 . 1 . . . . 172 GLN HB3 . 25041 1 963 . 1 1 89 89 GLN CG C 13 34.008 0.400 . 1 . . . . 172 GLN CG . 25041 1 964 . 1 1 89 89 GLN HG2 H 1 2.503 0.020 . 2 . . . . 172 GLN HG2 . 25041 1 965 . 1 1 89 89 GLN HG3 H 1 2.441 0.020 . 2 . . . . 172 GLN HG3 . 25041 1 966 . 1 1 89 89 GLN NE2 N 15 113.178 0.400 . 1 . . . . 172 GLN NE2 . 25041 1 967 . 1 1 89 89 GLN HE21 H 1 7.371 0.020 . 2 . . . . 172 GLN HE21 . 25041 1 968 . 1 1 89 89 GLN HE22 H 1 7.089 0.020 . 2 . . . . 172 GLN HE22 . 25041 1 969 . 1 1 90 90 LYS N N 15 115.970 0.400 . 1 . . . . 173 LYS N . 25041 1 970 . 1 1 90 90 LYS H H 1 7.475 0.020 . 1 . . . . 173 LYS H . 25041 1 971 . 1 1 90 90 LYS CA C 13 55.593 0.400 . 1 . . . . 173 LYS CA . 25041 1 972 . 1 1 90 90 LYS HA H 1 4.169 0.020 . 1 . . . . 173 LYS HA . 25041 1 973 . 1 1 90 90 LYS CB C 13 35.828 0.400 . 1 . . . . 173 LYS CB . 25041 1 974 . 1 1 90 90 LYS HB2 H 1 1.733 0.020 . 2 . . . . 173 LYS HB2 . 25041 1 975 . 1 1 90 90 LYS HB3 H 1 1.691 0.020 . 2 . . . . 173 LYS HB3 . 25041 1 976 . 1 1 90 90 LYS CG C 13 24.178 0.400 . 1 . . . . 173 LYS CG . 25041 1 977 . 1 1 90 90 LYS HG2 H 1 1.381 0.020 . 1 . . . . 173 LYS HG2 . 25041 1 978 . 1 1 90 90 LYS HG3 H 1 1.350 0.020 . 1 . . . . 173 LYS HG3 . 25041 1 979 . 1 1 90 90 LYS CD C 13 29.096 0.400 . 1 . . . . 173 LYS CD . 25041 1 980 . 1 1 90 90 LYS HD2 H 1 1.686 0.020 . 2 . . . . 173 LYS HD2 . 25041 1 981 . 1 1 90 90 LYS HD3 H 1 1.686 0.020 . 2 . . . . 173 LYS HD3 . 25041 1 982 . 1 1 90 90 LYS CE C 13 42.207 0.400 . 1 . . . . 173 LYS CE . 25041 1 983 . 1 1 90 90 LYS HE2 H 1 2.997 0.020 . 2 . . . . 173 LYS HE2 . 25041 1 984 . 1 1 90 90 LYS HE3 H 1 2.997 0.020 . 2 . . . . 173 LYS HE3 . 25041 1 985 . 1 1 91 91 ILE N N 15 125.293 0.400 . 1 . . . . 174 ILE N . 25041 1 986 . 1 1 91 91 ILE H H 1 8.740 0.020 . 1 . . . . 174 ILE H . 25041 1 987 . 1 1 91 91 ILE CB C 13 38.541 0.400 . 1 . . . . 174 ILE CB . 25041 1 988 . 1 1 91 91 ILE HB H 1 1.682 0.020 . 1 . . . . 174 ILE HB . 25041 1 989 . 1 1 91 91 ILE CG2 C 13 18.191 0.400 . 1 . . . . 174 ILE CG2 . 25041 1 990 . 1 1 91 91 ILE HG21 H 1 0.886 0.020 . 1 . . . . 174 ILE HG21 . 25041 1 991 . 1 1 91 91 ILE HG22 H 1 0.886 0.020 . 1 . . . . 174 ILE HG22 . 25041 1 992 . 1 1 91 91 ILE HG23 H 1 0.886 0.020 . 1 . . . . 174 ILE HG23 . 25041 1 993 . 1 1 91 91 ILE CD1 C 13 15.776 0.400 . 1 . . . . 174 ILE CD1 . 25041 1 994 . 1 1 91 91 ILE HD11 H 1 0.794 0.020 . 1 . . . . 174 ILE HD11 . 25041 1 995 . 1 1 91 91 ILE HD12 H 1 0.794 0.020 . 1 . . . . 174 ILE HD12 . 25041 1 996 . 1 1 91 91 ILE HD13 H 1 0.794 0.020 . 1 . . . . 174 ILE HD13 . 25041 1 997 . 1 1 92 92 SER CA C 13 59.266 0.400 . 1 . . . . 175 SER CA . 25041 1 998 . 1 1 92 92 SER HA H 1 4.350 0.020 . 1 . . . . 175 SER HA . 25041 1 999 . 1 1 92 92 SER CB C 13 63.016 0.400 . 1 . . . . 175 SER CB . 25041 1 1000 . 1 1 92 92 SER HB2 H 1 3.882 0.020 . 2 . . . . 175 SER HB2 . 25041 1 1001 . 1 1 92 92 SER HB3 H 1 3.882 0.020 . 2 . . . . 175 SER HB3 . 25041 1 1002 . 1 1 93 93 ARG N N 15 125.447 0.400 . 1 . . . . 176 ARG N . 25041 1 1003 . 1 1 93 93 ARG H H 1 8.410 0.020 . 1 . . . . 176 ARG H . 25041 1 1004 . 1 1 93 93 ARG CB C 13 29.976 0.400 . 1 . . . . 176 ARG CB . 25041 1 1005 . 1 1 93 93 ARG HB2 H 1 1.713 0.020 . 2 . . . . 176 ARG HB2 . 25041 1 1006 . 1 1 93 93 ARG HB3 H 1 1.670 0.020 . 2 . . . . 176 ARG HB3 . 25041 1 1007 . 1 1 93 93 ARG CG C 13 26.760 0.400 . 1 . . . . 176 ARG CG . 25041 1 1008 . 1 1 93 93 ARG HG2 H 1 1.349 0.020 . 2 . . . . 176 ARG HG2 . 25041 1 1009 . 1 1 93 93 ARG HG3 H 1 1.349 0.020 . 2 . . . . 176 ARG HG3 . 25041 1 1010 . 1 1 93 93 ARG CD C 13 43.247 0.400 . 1 . . . . 176 ARG CD . 25041 1 1011 . 1 1 93 93 ARG HD2 H 1 2.487 0.020 . 2 . . . . 176 ARG HD2 . 25041 1 1012 . 1 1 93 93 ARG HD3 H 1 2.437 0.020 . 2 . . . . 176 ARG HD3 . 25041 1 1013 . 1 1 93 93 ARG NE N 15 85.734 0.400 . 1 . . . . 176 ARG NE . 25041 1 1014 . 1 1 93 93 ARG HE H 1 6.920 0.020 . 1 . . . . 176 ARG HE . 25041 1 1015 . 1 1 94 94 PRO CD C 13 50.760 0.400 . 1 . . . . 177 PRO CD . 25041 1 1016 . 1 1 94 94 PRO CA C 13 63.773 0.400 . 1 . . . . 177 PRO CA . 25041 1 1017 . 1 1 94 94 PRO HA H 1 4.418 0.020 . 1 . . . . 177 PRO HA . 25041 1 1018 . 1 1 94 94 PRO CB C 13 32.072 0.400 . 1 . . . . 177 PRO CB . 25041 1 1019 . 1 1 94 94 PRO HB2 H 1 1.983 0.020 . 1 . . . . 177 PRO HB2 . 25041 1 1020 . 1 1 94 94 PRO HB3 H 1 2.346 0.020 . 1 . . . . 177 PRO HB3 . 25041 1 1021 . 1 1 94 94 PRO CG C 13 27.813 0.400 . 1 . . . . 177 PRO CG . 25041 1 1022 . 1 1 94 94 PRO HG2 H 1 2.178 0.020 . 2 . . . . 177 PRO HG2 . 25041 1 1023 . 1 1 94 94 PRO HG3 H 1 2.061 0.020 . 2 . . . . 177 PRO HG3 . 25041 1 1024 . 1 1 94 94 PRO HD2 H 1 3.697 0.020 . 1 . . . . 177 PRO HD2 . 25041 1 1025 . 1 1 94 94 PRO HD3 H 1 4.290 0.020 . 1 . . . . 177 PRO HD3 . 25041 1 1026 . 1 1 95 95 GLY N N 15 109.727 0.400 . 1 . . . . 178 GLY N . 25041 1 1027 . 1 1 95 95 GLY H H 1 8.518 0.020 . 1 . . . . 178 GLY H . 25041 1 1028 . 1 1 95 95 GLY CA C 13 45.407 0.400 . 1 . . . . 178 GLY CA . 25041 1 1029 . 1 1 95 95 GLY HA2 H 1 4.006 0.020 . 2 . . . . 178 GLY HA2 . 25041 1 1030 . 1 1 95 95 GLY HA3 H 1 4.006 0.020 . 2 . . . . 178 GLY HA3 . 25041 1 1031 . 1 1 96 96 ASP N N 15 120.659 0.400 . 1 . . . . 179 ASP N . 25041 1 1032 . 1 1 96 96 ASP H H 1 8.118 0.020 . 1 . . . . 179 ASP H . 25041 1 1033 . 1 1 96 96 ASP CA C 13 54.636 0.400 . 1 . . . . 179 ASP CA . 25041 1 1034 . 1 1 96 96 ASP HA H 1 4.664 0.020 . 1 . . . . 179 ASP HA . 25041 1 1035 . 1 1 96 96 ASP CB C 13 41.258 0.400 . 1 . . . . 179 ASP CB . 25041 1 1036 . 1 1 96 96 ASP HB2 H 1 2.764 0.020 . 2 . . . . 179 ASP HB2 . 25041 1 1037 . 1 1 96 96 ASP HB3 H 1 2.718 0.020 . 2 . . . . 179 ASP HB3 . 25041 1 1038 . 1 1 97 97 SER N N 15 115.578 0.400 . 1 . . . . 180 SER N . 25041 1 1039 . 1 1 97 97 SER H H 1 8.275 0.020 . 1 . . . . 180 SER H . 25041 1 1040 . 1 1 97 97 SER CA C 13 58.390 0.400 . 1 . . . . 180 SER CA . 25041 1 1041 . 1 1 97 97 SER HA H 1 4.519 0.020 . 1 . . . . 180 SER HA . 25041 1 1042 . 1 1 97 97 SER CB C 13 63.970 0.400 . 1 . . . . 180 SER CB . 25041 1 1043 . 1 1 97 97 SER HB2 H 1 3.905 0.020 . 2 . . . . 180 SER HB2 . 25041 1 1044 . 1 1 97 97 SER HB3 H 1 3.905 0.020 . 2 . . . . 180 SER HB3 . 25041 1 1045 . 1 1 98 98 ASP N N 15 122.481 0.400 . 1 . . . . 181 ASP N . 25041 1 1046 . 1 1 98 98 ASP H H 1 8.366 0.020 . 1 . . . . 181 ASP H . 25041 1 1047 . 1 1 98 98 ASP CA C 13 54.667 0.400 . 1 . . . . 181 ASP CA . 25041 1 1048 . 1 1 98 98 ASP HA H 1 4.670 0.020 . 1 . . . . 181 ASP HA . 25041 1 1049 . 1 1 98 98 ASP CB C 13 41.264 0.400 . 1 . . . . 181 ASP CB . 25041 1 1050 . 1 1 98 98 ASP HB2 H 1 2.782 0.020 . 2 . . . . 181 ASP HB2 . 25041 1 1051 . 1 1 98 98 ASP HB3 H 1 2.718 0.020 . 2 . . . . 181 ASP HB3 . 25041 1 1052 . 1 1 99 99 ASP N N 15 121.305 0.400 . 1 . . . . 182 ASP N . 25041 1 1053 . 1 1 99 99 ASP H H 1 8.320 0.020 . 1 . . . . 182 ASP H . 25041 1 1054 . 1 1 99 99 ASP CA C 13 54.668 0.400 . 1 . . . . 182 ASP CA . 25041 1 1055 . 1 1 99 99 ASP HA H 1 4.651 0.020 . 1 . . . . 182 ASP HA . 25041 1 1056 . 1 1 99 99 ASP CB C 13 41.275 0.400 . 1 . . . . 182 ASP CB . 25041 1 1057 . 1 1 99 99 ASP HB2 H 1 2.750 0.020 . 2 . . . . 182 ASP HB2 . 25041 1 1058 . 1 1 99 99 ASP HB3 H 1 2.696 0.020 . 2 . . . . 182 ASP HB3 . 25041 1 1059 . 1 1 100 100 SER N N 15 116.389 0.400 . 1 . . . . 183 SER N . 25041 1 1060 . 1 1 100 100 SER H H 1 8.315 0.020 . 1 . . . . 183 SER H . 25041 1 1061 . 1 1 100 100 SER CA C 13 59.230 0.400 . 1 . . . . 183 SER CA . 25041 1 1062 . 1 1 100 100 SER HA H 1 4.424 0.020 . 1 . . . . 183 SER HA . 25041 1 1063 . 1 1 100 100 SER CB C 13 63.746 0.400 . 1 . . . . 183 SER CB . 25041 1 1064 . 1 1 100 100 SER HB2 H 1 3.975 0.020 . 2 . . . . 183 SER HB2 . 25041 1 1065 . 1 1 100 100 SER HB3 H 1 3.975 0.020 . 2 . . . . 183 SER HB3 . 25041 1 1066 . 1 1 101 101 ARG N N 15 122.019 0.400 . 1 . . . . 184 ARG N . 25041 1 1067 . 1 1 101 101 ARG H H 1 8.147 0.020 . 1 . . . . 184 ARG H . 25041 1 1068 . 1 1 101 101 ARG CA C 13 56.430 0.400 . 1 . . . . 184 ARG CA . 25041 1 1069 . 1 1 101 101 ARG HA H 1 4.410 0.020 . 1 . . . . 184 ARG HA . 25041 1 1070 . 1 1 101 101 ARG CB C 13 30.602 0.400 . 1 . . . . 184 ARG CB . 25041 1 1071 . 1 1 101 101 ARG HB2 H 1 1.955 0.020 . 2 . . . . 184 ARG HB2 . 25041 1 1072 . 1 1 101 101 ARG HB3 H 1 1.849 0.020 . 2 . . . . 184 ARG HB3 . 25041 1 1073 . 1 1 101 101 ARG CG C 13 27.201 0.400 . 1 . . . . 184 ARG CG . 25041 1 1074 . 1 1 101 101 ARG HG2 H 1 1.703 0.020 . 2 . . . . 184 ARG HG2 . 25041 1 1075 . 1 1 101 101 ARG HG3 H 1 1.671 0.020 . 2 . . . . 184 ARG HG3 . 25041 1 1076 . 1 1 101 101 ARG CD C 13 43.448 0.400 . 1 . . . . 184 ARG CD . 25041 1 1077 . 1 1 101 101 ARG HD2 H 1 3.241 0.020 . 2 . . . . 184 ARG HD2 . 25041 1 1078 . 1 1 101 101 ARG HD3 H 1 3.241 0.020 . 2 . . . . 184 ARG HD3 . 25041 1 1079 . 1 1 102 102 SER N N 15 116.576 0.400 . 1 . . . . 185 SER N . 25041 1 1080 . 1 1 102 102 SER H H 1 8.232 0.020 . 1 . . . . 185 SER H . 25041 1 1081 . 1 1 102 102 SER CA C 13 58.297 0.400 . 1 . . . . 185 SER CA . 25041 1 1082 . 1 1 102 102 SER HA H 1 4.519 0.020 . 1 . . . . 185 SER HA . 25041 1 1083 . 1 1 102 102 SER CB C 13 63.970 0.400 . 1 . . . . 185 SER CB . 25041 1 1084 . 1 1 102 102 SER HB2 H 1 3.905 0.020 . 2 . . . . 185 SER HB2 . 25041 1 1085 . 1 1 102 102 SER HB3 H 1 3.905 0.020 . 2 . . . . 185 SER HB3 . 25041 1 1086 . 1 1 103 103 VAL N N 15 120.967 0.400 . 1 . . . . 186 VAL N . 25041 1 1087 . 1 1 103 103 VAL H H 1 8.079 0.020 . 1 . . . . 186 VAL H . 25041 1 1088 . 1 1 103 103 VAL CA C 13 62.392 0.400 . 1 . . . . 186 VAL CA . 25041 1 1089 . 1 1 103 103 VAL HA H 1 4.224 0.020 . 1 . . . . 186 VAL HA . 25041 1 1090 . 1 1 103 103 VAL CB C 13 32.815 0.400 . 1 . . . . 186 VAL CB . 25041 1 1091 . 1 1 103 103 VAL HB H 1 2.167 0.020 . 1 . . . . 186 VAL HB . 25041 1 1092 . 1 1 103 103 VAL CG1 C 13 21.230 0.400 . 1 . . . . 186 VAL CG1 . 25041 1 1093 . 1 1 103 103 VAL HG11 H 1 0.984 0.020 . 2 . . . . 186 VAL HG11 . 25041 1 1094 . 1 1 103 103 VAL HG12 H 1 0.984 0.020 . 2 . . . . 186 VAL HG12 . 25041 1 1095 . 1 1 103 103 VAL HG13 H 1 0.984 0.020 . 2 . . . . 186 VAL HG13 . 25041 1 1096 . 1 1 103 103 VAL CG2 C 13 20.244 0.400 . 1 . . . . 186 VAL CG2 . 25041 1 1097 . 1 1 103 103 VAL HG21 H 1 0.966 0.020 . 2 . . . . 186 VAL HG21 . 25041 1 1098 . 1 1 103 103 VAL HG22 H 1 0.966 0.020 . 2 . . . . 186 VAL HG22 . 25041 1 1099 . 1 1 103 103 VAL HG23 H 1 0.966 0.020 . 2 . . . . 186 VAL HG23 . 25041 1 1100 . 1 1 104 104 ASN N N 15 122.212 0.400 . 1 . . . . 187 ASN N . 25041 1 1101 . 1 1 104 104 ASN H H 1 8.427 0.020 . 1 . . . . 187 ASN H . 25041 1 1102 . 1 1 104 104 ASN CA C 13 53.352 0.400 . 1 . . . . 187 ASN CA . 25041 1 1103 . 1 1 104 104 ASN HA H 1 4.859 0.020 . 1 . . . . 187 ASN HA . 25041 1 1104 . 1 1 104 104 ASN CB C 13 39.370 0.400 . 1 . . . . 187 ASN CB . 25041 1 1105 . 1 1 104 104 ASN HB2 H 1 2.918 0.020 . 2 . . . . 187 ASN HB2 . 25041 1 1106 . 1 1 104 104 ASN HB3 H 1 2.775 0.020 . 2 . . . . 187 ASN HB3 . 25041 1 1107 . 1 1 105 105 SER N N 15 121.758 0.400 . 1 . . . . 188 SER N . 25041 1 1108 . 1 1 105 105 SER H H 1 7.877 0.020 . 1 . . . . 188 SER H . 25041 1 1109 . 1 1 105 105 SER CA C 13 60.044 0.400 . 1 . . . . 188 SER CA . 25041 1 1110 . 1 1 105 105 SER HA H 1 4.302 0.020 . 1 . . . . 188 SER HA . 25041 1 stop_ save_ save_shifts2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts2 _Assigned_chem_shift_list.Entry_ID 25041 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-1H NOESY' . . . 25041 2 5 '2D 1H-1H TOCSY' . . . 25041 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 25041 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 C H1' H 1 5.788 0.000 . . . . . B 1 C H1' . 25041 2 2 . 2 2 1 1 C H2' H 1 4.564 0.000 . . . . . B 1 C H2' . 25041 2 3 . 2 2 1 1 C H3' H 1 4.444 0.000 . . . . . B 1 C H3' . 25041 2 4 . 2 2 1 1 C H4' H 1 4.321 0.000 . . . . . B 1 C H4' . 25041 2 5 . 2 2 1 1 C H5 H 1 5.836 0.000 . . . . . B 1 C H5 . 25041 2 6 . 2 2 1 1 C H5' H 1 3.977 0.000 . . . . . B 1 C H5' . 25041 2 7 . 2 2 1 1 C H5'' H 1 3.892 0.000 . . . . . B 1 C H5'' . 25041 2 8 . 2 2 1 1 C H6 H 1 7.759 0.000 . . . . . B 1 C H6 . 25041 2 9 . 2 2 1 1 C C1' C 13 93.157 0.000 . . . . . B 1 C C1' . 25041 2 10 . 2 2 1 1 C C2' C 13 75.537 0.000 . . . . . B 1 C C2' . 25041 2 11 . 2 2 1 1 C C3' C 13 76.123 0.000 . . . . . B 1 C C3' . 25041 2 12 . 2 2 1 1 C C4' C 13 85.669 0.000 . . . . . B 1 C C4' . 25041 2 13 . 2 2 1 1 C C5 C 13 98.605 0.000 . . . . . B 1 C C5 . 25041 2 14 . 2 2 1 1 C C5' C 13 63.133 0.005 . . . . . B 1 C C5' . 25041 2 15 . 2 2 1 1 C C6 C 13 143.858 0.000 . . . . . B 1 C C6 . 25041 2 16 . 2 2 2 2 A H1' H 1 5.919 0.000 . . . . . B 2 A H1' . 25041 2 17 . 2 2 2 2 A H2 H 1 8.103 0.000 . . . . . B 2 A H2 . 25041 2 18 . 2 2 2 2 A H2' H 1 4.924 0.000 . . . . . B 2 A H2' . 25041 2 19 . 2 2 2 2 A H3' H 1 4.810 0.000 . . . . . B 2 A H3' . 25041 2 20 . 2 2 2 2 A H4' H 1 4.598 0.000 . . . . . B 2 A H4' . 25041 2 21 . 2 2 2 2 A H5' H 1 4.384 0.000 . . . . . B 2 A H5' . 25041 2 22 . 2 2 2 2 A H5'' H 1 4.307 0.000 . . . . . B 2 A H5'' . 25041 2 23 . 2 2 2 2 A H8 H 1 8.235 0.000 . . . . . B 2 A H8 . 25041 2 24 . 2 2 2 2 A C1' C 13 91.100 0.000 . . . . . B 2 A C1' . 25041 2 25 . 2 2 2 2 A C2 C 13 155.361 0.000 . . . . . B 2 A C2 . 25041 2 26 . 2 2 2 2 A C2' C 13 75.492 0.000 . . . . . B 2 A C2' . 25041 2 27 . 2 2 2 2 A C3' C 13 75.957 0.000 . . . . . B 2 A C3' . 25041 2 28 . 2 2 2 2 A C4' C 13 85.011 0.000 . . . . . B 2 A C4' . 25041 2 29 . 2 2 2 2 A C5' C 13 67.314 0.003 . . . . . B 2 A C5' . 25041 2 30 . 2 2 2 2 A C8 C 13 142.289 0.000 . . . . . B 2 A C8 . 25041 2 31 . 2 2 3 3 C H1' H 1 5.840 0.000 . . . . . B 3 C H1' . 25041 2 32 . 2 2 3 3 C H2' H 1 4.385 0.000 . . . . . B 3 C H2' . 25041 2 33 . 2 2 3 3 C H3' H 1 4.742 0.000 . . . . . B 3 C H3' . 25041 2 34 . 2 2 3 3 C H4' H 1 4.441 0.000 . . . . . B 3 C H4' . 25041 2 35 . 2 2 3 3 C H5 H 1 5.781 0.000 . . . . . B 3 C H5 . 25041 2 36 . 2 2 3 3 C H5' H 1 4.348 0.000 . . . . . B 3 C H5' . 25041 2 37 . 2 2 3 3 C H5'' H 1 4.236 0.000 . . . . . B 3 C H5'' . 25041 2 38 . 2 2 3 3 C H6 H 1 7.673 0.000 . . . . . B 3 C H6 . 25041 2 39 . 2 2 3 3 C C1' C 13 91.859 0.000 . . . . . B 3 C C1' . 25041 2 40 . 2 2 3 3 C C2' C 13 76.457 0.000 . . . . . B 3 C C2' . 25041 2 41 . 2 2 3 3 C C3' C 13 74.879 0.000 . . . . . B 3 C C3' . 25041 2 42 . 2 2 3 3 C C4' C 13 84.758 0.000 . . . . . B 3 C C4' . 25041 2 43 . 2 2 3 3 C C5 C 13 98.724 0.000 . . . . . B 3 C C5 . 25041 2 44 . 2 2 3 3 C C5' C 13 67.403 0.010 . . . . . B 3 C C5' . 25041 2 45 . 2 2 3 3 C C6 C 13 142.921 0.000 . . . . . B 3 C C6 . 25041 2 46 . 2 2 4 4 A H1' H 1 5.931 0.000 . . . . . B 4 A H1' . 25041 2 47 . 2 2 4 4 A H2 H 1 8.156 0.000 . . . . . B 4 A H2 . 25041 2 48 . 2 2 4 4 A H2' H 1 4.795 0.000 . . . . . B 4 A H2' . 25041 2 49 . 2 2 4 4 A H3' H 1 4.756 0.000 . . . . . B 4 A H3' . 25041 2 50 . 2 2 4 4 A H4' H 1 4.566 0.000 . . . . . B 4 A H4' . 25041 2 51 . 2 2 4 4 A H5' H 1 4.408 0.000 . . . . . B 4 A H5' . 25041 2 52 . 2 2 4 4 A H5'' H 1 4.253 0.000 . . . . . B 4 A H5'' . 25041 2 53 . 2 2 4 4 A H8 H 1 8.314 0.000 . . . . . B 4 A H8 . 25041 2 54 . 2 2 4 4 A C1' C 13 92.206 0.000 . . . . . B 4 A C1' . 25041 2 55 . 2 2 4 4 A C2 C 13 155.259 0.000 . . . . . B 4 A C2 . 25041 2 56 . 2 2 4 4 A C2' C 13 76.001 0.000 . . . . . B 4 A C2' . 25041 2 57 . 2 2 4 4 A C3' C 13 77.466 0.000 . . . . . B 4 A C3' . 25041 2 58 . 2 2 4 4 A C4' C 13 84.263 0.000 . . . . . B 4 A C4' . 25041 2 59 . 2 2 4 4 A C5' C 13 66.555 0.004 . . . . . B 4 A C5' . 25041 2 60 . 2 2 4 4 A C8 C 13 141.521 0.000 . . . . . B 4 A C8 . 25041 2 61 . 2 2 5 5 C H1' H 1 5.675 0.000 . . . . . B 5 C H1' . 25041 2 62 . 2 2 5 5 C H2' H 1 4.255 0.000 . . . . . B 5 C H2' . 25041 2 63 . 2 2 5 5 C H3' H 1 4.556 0.000 . . . . . B 5 C H3' . 25041 2 64 . 2 2 5 5 C H4' H 1 4.377 0.000 . . . . . B 5 C H4' . 25041 2 65 . 2 2 5 5 C H5 H 1 5.603 0.000 . . . . . B 5 C H5 . 25041 2 66 . 2 2 5 5 C H5' H 1 4.424 0.000 . . . . . B 5 C H5' . 25041 2 67 . 2 2 5 5 C H5'' H 1 4.175 0.000 . . . . . B 5 C H5'' . 25041 2 68 . 2 2 5 5 C H6 H 1 7.584 0.000 . . . . . B 5 C H6 . 25041 2 69 . 2 2 5 5 C C1' C 13 92.428 0.000 . . . . . B 5 C C1' . 25041 2 70 . 2 2 5 5 C C2' C 13 76.359 0.000 . . . . . B 5 C C2' . 25041 2 71 . 2 2 5 5 C C3' C 13 74.686 0.000 . . . . . B 5 C C3' . 25041 2 72 . 2 2 5 5 C C4' C 13 83.517 0.000 . . . . . B 5 C C4' . 25041 2 73 . 2 2 5 5 C C5 C 13 98.139 0.000 . . . . . B 5 C C5 . 25041 2 74 . 2 2 5 5 C C5' C 13 66.123 0.001 . . . . . B 5 C C5' . 25041 2 75 . 2 2 5 5 C C6 C 13 141.906 0.000 . . . . . B 5 C C6 . 25041 2 76 . 2 2 6 6 A H1' H 1 6.111 0.000 . . . . . B 6 A H1' . 25041 2 77 . 2 2 6 6 A H2 H 1 8.243 0.000 . . . . . B 6 A H2 . 25041 2 78 . 2 2 6 6 A H2' H 1 4.570 0.000 . . . . . B 6 A H2' . 25041 2 79 . 2 2 6 6 A H3' H 1 4.511 0.000 . . . . . B 6 A H3' . 25041 2 80 . 2 2 6 6 A H4' H 1 4.400 0.000 . . . . . B 6 A H4' . 25041 2 81 . 2 2 6 6 A H5' H 1 4.286 0.000 . . . . . B 6 A H5' . 25041 2 82 . 2 2 6 6 A H5'' H 1 4.184 0.000 . . . . . B 6 A H5'' . 25041 2 83 . 2 2 6 6 A H8 H 1 8.428 0.000 . . . . . B 6 A H8 . 25041 2 84 . 2 2 6 6 A C1' C 13 90.160 0.000 . . . . . B 6 A C1' . 25041 2 85 . 2 2 6 6 A C2 C 13 155.621 0.000 . . . . . B 6 A C2 . 25041 2 86 . 2 2 6 6 A C2' C 13 77.849 0.000 . . . . . B 6 A C2' . 25041 2 87 . 2 2 6 6 A C3' C 13 72.862 0.000 . . . . . B 6 A C3' . 25041 2 88 . 2 2 6 6 A C4' C 13 86.332 0.000 . . . . . B 6 A C4' . 25041 2 89 . 2 2 6 6 A C5' C 13 67.409 0.001 . . . . . B 6 A C5' . 25041 2 90 . 2 2 6 6 A C8 C 13 142.021 0.000 . . . . . B 6 A C8 . 25041 2 stop_ save_