data_17883 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17883 _Entry.Title ; The solution structure of the Lin28-ZnF domains bound to AGGAGAU of pre-let-7 miRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-25 _Entry.Accession_date 2011-08-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 F. Allain . H.-T. . 17883 2 F. Loughlin . E. . 17883 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' . 17883 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'micro RNA' . 17883 protein/RNA . 17883 'zinc finger' . 17883 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17883 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 191 17883 '15N chemical shifts' 64 17883 '1H chemical shifts' 450 17883 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-04-12 2011-08-25 update BMRB 'update entry citation' 17883 1 . . 2011-12-08 2011-08-25 original author 'original release' 17883 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CQF 'Structure of Lin28 ZnFs free form' 17883 PDB 2LI8 'BMRB Entry Tracking System' 17883 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17883 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22157959 _Citation.Full_citation . _Citation.Title 'Structural basis of pre-let-7 miRNA recognition by the zinc knuckles of pluripotency factor Lin28.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 19 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 84 _Citation.Page_last 89 _Citation.Year 2012 _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 Fionna Loughlin . E. . 17883 1 2 Luca Gebert . F.R. . 17883 1 3 Harry Towbin . . . 17883 1 4 Andreas Brunschweiger . . . 17883 1 5 Jonathan Hall . . . 17883 1 6 'Frederic H-T' Allain . . . 17883 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17883 _Assembly.ID 1 _Assembly.Name 'Lin28-ZnF domains bound to AGGAGAU of pre-let-7 miRNA' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'Lin-28 homolog A' 1 $Lin-28_homolog_A A . yes native no no . . . 17883 1 2 'hsa-pre-let-7g miRNA' 2 $AGGAGAU B . yes native no no . . . 17883 1 3 'ZINC ION' 3 $ZN C . no native no no . . . 17883 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'Lin-28 homolog A' 1 CYS 27 27 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 17883 1 2 coordination single . 1 'Lin-28 homolog A' 1 CYS 30 30 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 17883 1 3 coordination single . 1 'Lin-28 homolog A' 1 CYS 40 40 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 17883 1 4 coordination single . 1 'Lin-28 homolog A' 1 CYS 49 49 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 17883 1 5 coordination single . 1 'Lin-28 homolog A' 1 CYS 52 52 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 17883 1 6 coordination single . 1 'Lin-28 homolog A' 1 CYS 62 62 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 17883 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lin-28_homolog_A _Entity.Sf_category entity _Entity.Sf_framecode Lin-28_homolog_A _Entity.Entry_ID 17883 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lin28-ZnF _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 ; SSGLVPRGSHMPKGKSMQKR RSKGDRCYNCGGLDHHAKEC KLPPQPKKCHFCQSISHMVA SCPLKAQQGPSAQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-11 a non native expression tag' _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8033.417 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CQF . "Solution Structure Of The Zinc-Finger Domain In Lin-28" . . . . . 71.62 63 98.11 98.11 1.01e-28 . . . . 17883 1 2 no PDB 2LI8 . "The Solution Structure Of The Lin28-Znf Domains Bound To Aggagau Of Pre-Let-7 Mirna" . . . . . 100.00 74 100.00 100.00 1.61e-44 . . . . 17883 1 3 no DBJ BAB14075 . "unnamed protein product [Homo sapiens]" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 4 no DBJ BAI46599 . "lin-28 homolog [synthetic construct]" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 5 no GB AAH28566 . "LIN28 protein [Homo sapiens]" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 6 no GB AAM77751 . "RNA-binding protein LIN-28 [Homo sapiens]" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 7 no GB ABM84324 . "lin-28 homolog (C. elegans) [synthetic construct]" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 8 no GB ABM87718 . "lin-28 homolog (C. elegans) [synthetic construct]" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 9 no GB AIC52303 . "LIN28A, partial [synthetic construct]" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 10 no REF NP_001102739 . "protein lin-28 homolog A [Rattus norvegicus]" . . . . . 85.14 209 98.41 100.00 5.03e-36 . . . . 17883 1 11 no REF NP_078950 . "protein lin-28 homolog A [Homo sapiens]" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 12 no REF XP_001114640 . "PREDICTED: protein lin-28 homolog A-like [Macaca mulatta]" . . . . . 85.14 143 98.41 100.00 1.15e-36 . . . . 17883 1 13 no REF XP_002716148 . "PREDICTED: protein lin-28 homolog A [Oryctolagus cuniculus]" . . . . . 85.14 209 98.41 98.41 9.08e-36 . . . . 17883 1 14 no REF XP_002720890 . "PREDICTED: protein lin-28 homolog A [Oryctolagus cuniculus]" . . . . . 85.14 209 98.41 98.41 9.08e-36 . . . . 17883 1 15 no SP Q9H9Z2 . "RecName: Full=Protein lin-28 homolog A; Short=Lin-28A; AltName: Full=Zinc finger CCHC domain-containing protein 1" . . . . . 85.14 209 100.00 100.00 1.51e-36 . . . . 17883 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 113 SER . 17883 1 2 114 SER . 17883 1 3 115 GLY . 17883 1 4 116 LEU . 17883 1 5 117 VAL . 17883 1 6 118 PRO . 17883 1 7 119 ARG . 17883 1 8 120 GLY . 17883 1 9 121 SER . 17883 1 10 122 HIS . 17883 1 11 123 MET . 17883 1 12 124 PRO . 17883 1 13 125 LYS . 17883 1 14 126 GLY . 17883 1 15 127 LYS . 17883 1 16 128 SER . 17883 1 17 129 MET . 17883 1 18 130 GLN . 17883 1 19 131 LYS . 17883 1 20 132 ARG . 17883 1 21 133 ARG . 17883 1 22 134 SER . 17883 1 23 135 LYS . 17883 1 24 136 GLY . 17883 1 25 137 ASP . 17883 1 26 138 ARG . 17883 1 27 139 CYS . 17883 1 28 140 TYR . 17883 1 29 141 ASN . 17883 1 30 142 CYS . 17883 1 31 143 GLY . 17883 1 32 144 GLY . 17883 1 33 145 LEU . 17883 1 34 146 ASP . 17883 1 35 147 HIS . 17883 1 36 148 HIS . 17883 1 37 149 ALA . 17883 1 38 150 LYS . 17883 1 39 151 GLU . 17883 1 40 152 CYS . 17883 1 41 153 LYS . 17883 1 42 154 LEU . 17883 1 43 155 PRO . 17883 1 44 156 PRO . 17883 1 45 157 GLN . 17883 1 46 158 PRO . 17883 1 47 159 LYS . 17883 1 48 160 LYS . 17883 1 49 161 CYS . 17883 1 50 162 HIS . 17883 1 51 163 PHE . 17883 1 52 164 CYS . 17883 1 53 165 GLN . 17883 1 54 166 SER . 17883 1 55 167 ILE . 17883 1 56 168 SER . 17883 1 57 169 HIS . 17883 1 58 170 MET . 17883 1 59 171 VAL . 17883 1 60 172 ALA . 17883 1 61 173 SER . 17883 1 62 174 CYS . 17883 1 63 175 PRO . 17883 1 64 176 LEU . 17883 1 65 177 LYS . 17883 1 66 178 ALA . 17883 1 67 179 GLN . 17883 1 68 180 GLN . 17883 1 69 181 GLY . 17883 1 70 182 PRO . 17883 1 71 183 SER . 17883 1 72 184 ALA . 17883 1 73 185 GLN . 17883 1 74 186 GLY . 17883 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 . SER 1 1 17883 1 . SER 2 2 17883 1 . GLY 3 3 17883 1 . LEU 4 4 17883 1 . VAL 5 5 17883 1 . PRO 6 6 17883 1 . ARG 7 7 17883 1 . GLY 8 8 17883 1 . SER 9 9 17883 1 . HIS 10 10 17883 1 . MET 11 11 17883 1 . PRO 12 12 17883 1 . LYS 13 13 17883 1 . GLY 14 14 17883 1 . LYS 15 15 17883 1 . SER 16 16 17883 1 . MET 17 17 17883 1 . GLN 18 18 17883 1 . LYS 19 19 17883 1 . ARG 20 20 17883 1 . ARG 21 21 17883 1 . SER 22 22 17883 1 . LYS 23 23 17883 1 . GLY 24 24 17883 1 . ASP 25 25 17883 1 . ARG 26 26 17883 1 . CYS 27 27 17883 1 . TYR 28 28 17883 1 . ASN 29 29 17883 1 . CYS 30 30 17883 1 . GLY 31 31 17883 1 . GLY 32 32 17883 1 . LEU 33 33 17883 1 . ASP 34 34 17883 1 . HIS 35 35 17883 1 . HIS 36 36 17883 1 . ALA 37 37 17883 1 . LYS 38 38 17883 1 . GLU 39 39 17883 1 . CYS 40 40 17883 1 . LYS 41 41 17883 1 . LEU 42 42 17883 1 . PRO 43 43 17883 1 . PRO 44 44 17883 1 . GLN 45 45 17883 1 . PRO 46 46 17883 1 . LYS 47 47 17883 1 . LYS 48 48 17883 1 . CYS 49 49 17883 1 . HIS 50 50 17883 1 . PHE 51 51 17883 1 . CYS 52 52 17883 1 . GLN 53 53 17883 1 . SER 54 54 17883 1 . ILE 55 55 17883 1 . SER 56 56 17883 1 . HIS 57 57 17883 1 . MET 58 58 17883 1 . VAL 59 59 17883 1 . ALA 60 60 17883 1 . SER 61 61 17883 1 . CYS 62 62 17883 1 . PRO 63 63 17883 1 . LEU 64 64 17883 1 . LYS 65 65 17883 1 . ALA 66 66 17883 1 . GLN 67 67 17883 1 . GLN 68 68 17883 1 . GLY 69 69 17883 1 . PRO 70 70 17883 1 . SER 71 71 17883 1 . ALA 72 72 17883 1 . GLN 73 73 17883 1 . GLY 74 74 17883 1 stop_ save_ save_AGGAGAU _Entity.Sf_category entity _Entity.Sf_framecode AGGAGAU _Entity.Entry_ID 17883 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name AGGAGAU _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 AGGAGAU _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment 'hsa-pre-let-7g terminal loop' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2284.459 _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 . A . 17883 2 2 . G . 17883 2 3 . G . 17883 2 4 . A . 17883 2 5 . G . 17883 2 6 . A . 17883 2 7 . U . 17883 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 . A 1 1 17883 2 . G 2 2 17883 2 . G 3 3 17883 2 . A 4 4 17883 2 . G 5 5 17883 2 . A 6 6 17883 2 . U 7 7 17883 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17883 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 17883 3 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 17883 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Lin-28_homolog_A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . Lin-28a . . . . 17883 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 17883 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Lin-28_homolog_A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)Codon Plus' . . . . . . . . . . . . . . . pET28a . . . . . . 17883 1 2 2 $AGGAGAU . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17883 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 17883 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 23 15:25:51 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 17883 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17883 ZN [Zn++] SMILES CACTVS 3.341 17883 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17883 ZN [Zn+2] SMILES ACDLabs 10.04 17883 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17883 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17883 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 17883 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17883 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17883 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17883 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2' _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 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM 1 . . . 17883 1 2 beta-mercaptoethanol 'natural abundance' . . . . . . 1.5 . . mM .2 . . . 17883 1 3 ZnCl2 'natural abundance' . . 3 $ZN . . 1.6 . . mM 0.1 . . . 17883 1 4 Lin28-ZnF '[U-99% 13C; U-99% 15N]' . . 1 $Lin-28_homolog_A . . 0.8 . . mM 0.1 . . . 17883 1 5 AGGAGAU 'natural abundance' . . 2 $AGGAGAU . . 0.8 . . mM 0.1 . . . 17883 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17883 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17883 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17883 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2' _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 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM 1 . . . 17883 2 2 beta-mercaptoethanol 'natural abundance' . . . . . . 1.5 . . mM .2 . . . 17883 2 3 ZnCl2 'natural abundance' . . 3 $ZN . . 1.6 . . mM 0.1 . . . 17883 2 4 Lin28-ZnF '[U-99% 13C; U-99% 15N]' . . 1 $Lin-28_homolog_A . . 0.8 . . mM 0.1 . . . 17883 2 5 AGGAGAU 'natural abundance' . . 2 $AGGAGAU . . 0.8 . . mM 0.1 . . . 17883 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17883 2 stop_ save_ save_Sample_3 _Sample.Sf_category sample _Sample.Sf_framecode Sample_3 _Sample.Entry_ID 17883 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2' _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 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM 1 . . . 17883 3 2 beta-mercaptoethanol 'natural abundance' . . . . . . 1.5 . . mM .2 . . . 17883 3 3 ZnCl2 'natural abundance' . . 3 $ZN . . 1.6 . . mM 0.1 . . . 17883 3 4 Lin28-ZnF '[U-99% 15N]' . . 1 $Lin-28_homolog_A . . 0.8 . . mM 0.1 . . . 17883 3 5 AGGAGAU 'natural abundance' . . 2 $AGGAGAU . . 0.8 . . mM 0.1 . . . 17883 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17883 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17883 3 stop_ save_ save_Sample_4 _Sample.Sf_category sample _Sample.Sf_framecode Sample_4 _Sample.Entry_ID 17883 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2' _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 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM 1 . . . 17883 4 2 beta-mercaptoethanol 'natural abundance' . . . . . . 1.5 . . mM .2 . . . 17883 4 3 ZnCl2 'natural abundance' . . 3 $ZN . . 1.6 . . mM 0.1 . . . 17883 4 4 Lin28-ZnF '[U-10% 13C; U-99% 15N]' . . 1 $Lin-28_homolog_A . . 0.8 . . mM 0.1 . . . 17883 4 5 AGGAGAU 'natural abundance' . . 2 $AGGAGAU . . 0.8 . . mM 0.1 . . . 17883 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17883 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 17883 _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' 10 . mM 17883 1 pH 5.6 . pH 17883 1 pressure 1 . atm 17883 1 temperature 303 . K 17883 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17883 _Sample_condition_list.ID 2 _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' 10 . mM 17883 2 pH 5.6 . pH 17883 2 pressure 1 . atm 17883 2 temperature 283 . K 17883 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17883 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17883 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17883 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17883 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17883 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17883 2 processing 17883 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17883 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17883 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17883 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17883 _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 Kollm' . . 17883 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17883 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 17883 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV-III _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17883 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV-III _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17883 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV-III _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17883 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17883 _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 AV-III . 500 . . . 17883 1 2 spectrometer_2 Bruker AV-III . 600 . . . 17883 1 3 spectrometer_3 Bruker AV-III . 700 . . . 17883 1 4 spectrometer_4 Bruker Avance . 900 . . . 17883 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 17883 _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_15N-separated_NOESY 3D_13C-separated_NOESY' no . . . . . . . . . . 3 $Sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 12 2D-F1f-F2f-NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 13 2D-F2f-NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 14 3D-F3f-NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 15 '2D 1H-15N HMQC' no . . . . . . . . . . 3 $Sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 16 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $Sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 17 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $Sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17883 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $Sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17883 1 19 3D-F3fe-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17883 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $Sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17883 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 17883 _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 . . . . . . . . . 17883 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17883 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17883 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 17883 _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_15N-separated_NOESY 3D_13C-separated_NOESY' . . . 17883 1 2 '3D 1H-13C NOESY' . . . 17883 1 3 '2D 1H-15N HSQC' . . . 17883 1 4 '2D 1H-13C HSQC aliphatic' . . . 17883 1 16 '2D 1H-1H NOESY' . . . 17883 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 12 12 PRO HA H 1 4.752 0.005 . 1 . . . A 124 PRO HA . 17883 1 2 . 1 1 12 12 PRO HB2 H 1 2.010 0.002 . 2 . . . A 124 PRO HB2 . 17883 1 3 . 1 1 12 12 PRO HB3 H 1 2.010 0.002 . 2 . . . A 124 PRO HB3 . 17883 1 4 . 1 1 12 12 PRO HD2 H 1 3.789 0.002 . 2 . . . A 124 PRO HD2 . 17883 1 5 . 1 1 12 12 PRO HD3 H 1 3.638 0.002 . 2 . . . A 124 PRO HD3 . 17883 1 6 . 1 1 12 12 PRO CD C 13 50.771 0.013 . 1 . . . A 124 PRO CD . 17883 1 7 . 1 1 13 13 LYS HA H 1 4.282 0.002 . 1 . . . A 125 LYS HA . 17883 1 8 . 1 1 14 14 GLY H H 1 8.386 0.005 . 1 . . . A 126 GLY H . 17883 1 9 . 1 1 14 14 GLY HA2 H 1 3.966 0.001 . 2 . . . A 126 GLY HA2 . 17883 1 10 . 1 1 14 14 GLY HA3 H 1 3.966 0.001 . 2 . . . A 126 GLY HA3 . 17883 1 11 . 1 1 14 14 GLY CA C 13 45.303 0.016 . 1 . . . A 126 GLY CA . 17883 1 12 . 1 1 14 14 GLY N N 15 110.154 0.002 . 1 . . . A 126 GLY N . 17883 1 13 . 1 1 15 15 LYS H H 1 8.206 0.001 . 1 . . . A 127 LYS H . 17883 1 14 . 1 1 15 15 LYS HA H 1 4.336 0.007 . 1 . . . A 127 LYS HA . 17883 1 15 . 1 1 15 15 LYS HB2 H 1 1.848 0.003 . 2 . . . A 127 LYS HB2 . 17883 1 16 . 1 1 15 15 LYS HB3 H 1 1.732 0.001 . 2 . . . A 127 LYS HB3 . 17883 1 17 . 1 1 15 15 LYS HG2 H 1 1.460 0.008 . 2 . . . A 127 LYS HG2 . 17883 1 18 . 1 1 15 15 LYS HG3 H 1 1.400 0.004 . 2 . . . A 127 LYS HG3 . 17883 1 19 . 1 1 15 15 LYS HD2 H 1 1.666 0.006 . 2 . . . A 127 LYS HD2 . 17883 1 20 . 1 1 15 15 LYS HD3 H 1 1.666 0.004 . 2 . . . A 127 LYS HD3 . 17883 1 21 . 1 1 15 15 LYS HE2 H 1 3.097 0.002 . 2 . . . A 127 LYS HE2 . 17883 1 22 . 1 1 15 15 LYS HE3 H 1 3.097 0.002 . 2 . . . A 127 LYS HE3 . 17883 1 23 . 1 1 15 15 LYS CA C 13 56.291 0.010 . 1 . . . A 127 LYS CA . 17883 1 24 . 1 1 15 15 LYS CB C 13 33.260 0.003 . 1 . . . A 127 LYS CB . 17883 1 25 . 1 1 15 15 LYS CG C 13 24.861 0.007 . 1 . . . A 127 LYS CG . 17883 1 26 . 1 1 15 15 LYS CD C 13 29.146 0.009 . 1 . . . A 127 LYS CD . 17883 1 27 . 1 1 15 15 LYS N N 15 121.023 0.005 . 1 . . . A 127 LYS N . 17883 1 28 . 1 1 16 16 SER H H 1 8.355 0.017 . 1 . . . A 128 SER H . 17883 1 29 . 1 1 16 16 SER HA H 1 4.444 0.009 . 1 . . . A 128 SER HA . 17883 1 30 . 1 1 16 16 SER HB2 H 1 3.871 0.013 . 2 . . . A 128 SER HB2 . 17883 1 31 . 1 1 16 16 SER HB3 H 1 3.871 0.013 . 2 . . . A 128 SER HB3 . 17883 1 32 . 1 1 16 16 SER CA C 13 58.391 0.052 . 1 . . . A 128 SER CA . 17883 1 33 . 1 1 16 16 SER CB C 13 63.923 0.005 . 1 . . . A 128 SER CB . 17883 1 34 . 1 1 16 16 SER N N 15 116.873 0.001 . 1 . . . A 128 SER N . 17883 1 35 . 1 1 17 17 MET H H 1 8.418 0.004 . 1 . . . A 129 MET H . 17883 1 36 . 1 1 17 17 MET HA H 1 4.484 0.005 . 1 . . . A 129 MET HA . 17883 1 37 . 1 1 17 17 MET HB2 H 1 2.087 0.002 . 2 . . . A 129 MET HB2 . 17883 1 38 . 1 1 17 17 MET HB3 H 1 1.981 0.001 . 2 . . . A 129 MET HB3 . 17883 1 39 . 1 1 17 17 MET HG2 H 1 2.588 0.002 . 2 . . . A 129 MET HG2 . 17883 1 40 . 1 1 17 17 MET HG3 H 1 2.508 0.002 . 2 . . . A 129 MET HG3 . 17883 1 41 . 1 1 17 17 MET HE1 H 1 2.076 0.000 . 1 . . . A 129 MET QE . 17883 1 42 . 1 1 17 17 MET HE2 H 1 2.076 0.000 . 1 . . . A 129 MET QE . 17883 1 43 . 1 1 17 17 MET HE3 H 1 2.076 0.000 . 1 . . . A 129 MET QE . 17883 1 44 . 1 1 17 17 MET CA C 13 55.516 0.044 . 1 . . . A 129 MET CA . 17883 1 45 . 1 1 17 17 MET CB C 13 32.804 0.034 . 1 . . . A 129 MET CB . 17883 1 46 . 1 1 17 17 MET CG C 13 32.138 0.009 . 1 . . . A 129 MET CG . 17883 1 47 . 1 1 17 17 MET CE C 13 17.170 0.000 . 1 . . . A 129 MET CE . 17883 1 48 . 1 1 17 17 MET N N 15 122.532 0.004 . 1 . . . A 129 MET N . 17883 1 49 . 1 1 18 18 GLN H H 1 8.289 0.005 . 1 . . . A 130 GLN H . 17883 1 50 . 1 1 18 18 GLN HA H 1 4.294 0.002 . 1 . . . A 130 GLN HA . 17883 1 51 . 1 1 18 18 GLN HB2 H 1 2.055 0.004 . 2 . . . A 130 GLN HB2 . 17883 1 52 . 1 1 18 18 GLN HB3 H 1 1.954 0.005 . 2 . . . A 130 GLN HB3 . 17883 1 53 . 1 1 18 18 GLN HG2 H 1 2.343 0.003 . 2 . . . A 130 GLN HG2 . 17883 1 54 . 1 1 18 18 GLN HG3 H 1 2.343 0.003 . 2 . . . A 130 GLN HG3 . 17883 1 55 . 1 1 18 18 GLN HE21 H 1 6.857 0.001 . 2 . . . A 130 GLN HE21 . 17883 1 56 . 1 1 18 18 GLN HE22 H 1 7.502 0.001 . 2 . . . A 130 GLN HE22 . 17883 1 57 . 1 1 18 18 GLN CA C 13 56.059 0.010 . 1 . . . A 130 GLN CA . 17883 1 58 . 1 1 18 18 GLN CB C 13 29.580 0.018 . 1 . . . A 130 GLN CB . 17883 1 59 . 1 1 18 18 GLN CG C 13 33.871 0.009 . 1 . . . A 130 GLN CG . 17883 1 60 . 1 1 18 18 GLN N N 15 121.620 0.006 . 1 . . . A 130 GLN N . 17883 1 61 . 1 1 18 18 GLN NE2 N 15 112.445 0.001 . 1 . . . A 130 GLN NE2 . 17883 1 62 . 1 1 19 19 LYS H H 1 8.353 0.004 . 1 . . . A 131 LYS H . 17883 1 63 . 1 1 19 19 LYS HA H 1 4.280 0.006 . 1 . . . A 131 LYS HA . 17883 1 64 . 1 1 19 19 LYS HB2 H 1 1.792 0.013 . 2 . . . A 131 LYS HB2 . 17883 1 65 . 1 1 19 19 LYS HB3 H 1 1.729 0.010 . 2 . . . A 131 LYS HB3 . 17883 1 66 . 1 1 19 19 LYS HG2 H 1 1.430 0.003 . 2 . . . A 131 LYS HG2 . 17883 1 67 . 1 1 19 19 LYS HG3 H 1 1.430 0.003 . 2 . . . A 131 LYS HG3 . 17883 1 68 . 1 1 19 19 LYS HD2 H 1 1.668 0.015 . 2 . . . A 131 LYS HD2 . 17883 1 69 . 1 1 19 19 LYS HD3 H 1 1.668 0.015 . 2 . . . A 131 LYS HD3 . 17883 1 70 . 1 1 19 19 LYS HE2 H 1 2.980 0.004 . 2 . . . A 131 LYS HE2 . 17883 1 71 . 1 1 19 19 LYS HE3 H 1 2.980 0.004 . 2 . . . A 131 LYS HE3 . 17883 1 72 . 1 1 19 19 LYS CA C 13 56.241 0.040 . 1 . . . A 131 LYS CA . 17883 1 73 . 1 1 19 19 LYS CB C 13 33.091 0.004 . 1 . . . A 131 LYS CB . 17883 1 74 . 1 1 19 19 LYS CG C 13 24.856 0.050 . 1 . . . A 131 LYS CG . 17883 1 75 . 1 1 19 19 LYS CD C 13 29.135 0.040 . 1 . . . A 131 LYS CD . 17883 1 76 . 1 1 19 19 LYS CE C 13 42.222 0.000 . 1 . . . A 131 LYS CE . 17883 1 77 . 1 1 19 19 LYS N N 15 123.143 0.018 . 1 . . . A 131 LYS N . 17883 1 78 . 1 1 20 20 ARG H H 1 8.345 0.005 . 1 . . . A 132 ARG H . 17883 1 79 . 1 1 20 20 ARG HA H 1 4.300 0.006 . 1 . . . A 132 ARG HA . 17883 1 80 . 1 1 20 20 ARG HB2 H 1 1.799 0.001 . 2 . . . A 132 ARG HB2 . 17883 1 81 . 1 1 20 20 ARG HB3 H 1 1.722 0.001 . 2 . . . A 132 ARG HB3 . 17883 1 82 . 1 1 20 20 ARG HG2 H 1 1.585 0.005 . 2 . . . A 132 ARG HG2 . 17883 1 83 . 1 1 20 20 ARG HG3 H 1 1.585 0.005 . 2 . . . A 132 ARG HG3 . 17883 1 84 . 1 1 20 20 ARG HD2 H 1 3.128 0.006 . 2 . . . A 132 ARG HD2 . 17883 1 85 . 1 1 20 20 ARG HD3 H 1 3.128 0.006 . 2 . . . A 132 ARG HD3 . 17883 1 86 . 1 1 20 20 ARG CA C 13 56.221 0.022 . 1 . . . A 132 ARG CA . 17883 1 87 . 1 1 20 20 ARG CB C 13 30.995 0.034 . 1 . . . A 132 ARG CB . 17883 1 88 . 1 1 20 20 ARG CG C 13 27.191 0.009 . 1 . . . A 132 ARG CG . 17883 1 89 . 1 1 20 20 ARG CD C 13 43.420 0.006 . 1 . . . A 132 ARG CD . 17883 1 90 . 1 1 20 20 ARG N N 15 122.850 0.012 . 1 . . . A 132 ARG N . 17883 1 91 . 1 1 21 21 ARG H H 1 8.448 0.002 . 1 . . . A 133 ARG H . 17883 1 92 . 1 1 21 21 ARG HA H 1 4.309 0.010 . 1 . . . A 133 ARG HA . 17883 1 93 . 1 1 21 21 ARG HB2 H 1 1.794 0.010 . 2 . . . A 133 ARG HB2 . 17883 1 94 . 1 1 21 21 ARG HB3 H 1 1.722 0.004 . 2 . . . A 133 ARG HB3 . 17883 1 95 . 1 1 21 21 ARG HG2 H 1 1.579 0.004 . 2 . . . A 133 ARG HG2 . 17883 1 96 . 1 1 21 21 ARG HG3 H 1 1.579 0.004 . 2 . . . A 133 ARG HG3 . 17883 1 97 . 1 1 21 21 ARG HD2 H 1 3.100 0.009 . 2 . . . A 133 ARG HD2 . 17883 1 98 . 1 1 21 21 ARG HD3 H 1 3.100 0.009 . 2 . . . A 133 ARG HD3 . 17883 1 99 . 1 1 21 21 ARG CA C 13 56.193 0.004 . 1 . . . A 133 ARG CA . 17883 1 100 . 1 1 21 21 ARG CB C 13 30.974 0.018 . 1 . . . A 133 ARG CB . 17883 1 101 . 1 1 21 21 ARG CG C 13 27.123 0.011 . 1 . . . A 133 ARG CG . 17883 1 102 . 1 1 21 21 ARG CD C 13 43.381 0.004 . 1 . . . A 133 ARG CD . 17883 1 103 . 1 1 21 21 ARG N N 15 123.180 0.004 . 1 . . . A 133 ARG N . 17883 1 104 . 1 1 22 22 SER H H 1 8.374 0.002 . 1 . . . A 134 SER H . 17883 1 105 . 1 1 22 22 SER HA H 1 4.399 0.004 . 1 . . . A 134 SER HA . 17883 1 106 . 1 1 22 22 SER HB2 H 1 3.798 0.005 . 2 . . . A 134 SER HB2 . 17883 1 107 . 1 1 22 22 SER HB3 H 1 3.798 0.005 . 2 . . . A 134 SER HB3 . 17883 1 108 . 1 1 22 22 SER CA C 13 58.330 0.023 . 1 . . . A 134 SER CA . 17883 1 109 . 1 1 22 22 SER CB C 13 63.938 0.033 . 1 . . . A 134 SER CB . 17883 1 110 . 1 1 22 22 SER N N 15 117.456 0.010 . 1 . . . A 134 SER N . 17883 1 111 . 1 1 23 23 LYS H H 1 8.217 0.011 . 1 . . . A 135 LYS H . 17883 1 112 . 1 1 23 23 LYS HA H 1 4.234 0.005 . 1 . . . A 135 LYS HA . 17883 1 113 . 1 1 23 23 LYS HB2 H 1 1.822 0.005 . 2 . . . A 135 LYS HB2 . 17883 1 114 . 1 1 23 23 LYS HB3 H 1 1.753 0.003 . 2 . . . A 135 LYS HB3 . 17883 1 115 . 1 1 23 23 LYS HG2 H 1 1.419 0.005 . 2 . . . A 135 LYS HG2 . 17883 1 116 . 1 1 23 23 LYS HG3 H 1 1.419 0.005 . 2 . . . A 135 LYS HG3 . 17883 1 117 . 1 1 23 23 LYS HD2 H 1 1.653 0.005 . 2 . . . A 135 LYS HD2 . 17883 1 118 . 1 1 23 23 LYS HD3 H 1 1.653 0.005 . 2 . . . A 135 LYS HD3 . 17883 1 119 . 1 1 23 23 LYS HE2 H 1 2.979 0.001 . 2 . . . A 135 LYS HE2 . 17883 1 120 . 1 1 23 23 LYS HE3 H 1 2.979 0.001 . 2 . . . A 135 LYS HE3 . 17883 1 121 . 1 1 23 23 LYS CA C 13 57.019 0.018 . 1 . . . A 135 LYS CA . 17883 1 122 . 1 1 23 23 LYS CB C 13 32.780 0.034 . 1 . . . A 135 LYS CB . 17883 1 123 . 1 1 23 23 LYS CG C 13 24.865 0.009 . 1 . . . A 135 LYS CG . 17883 1 124 . 1 1 23 23 LYS CE C 13 42.059 0.011 . 1 . . . A 135 LYS CE . 17883 1 125 . 1 1 23 23 LYS N N 15 123.370 0.023 . 1 . . . A 135 LYS N . 17883 1 126 . 1 1 24 24 GLY H H 1 8.767 0.014 . 1 . . . A 136 GLY H . 17883 1 127 . 1 1 24 24 GLY HA2 H 1 4.054 0.003 . 2 . . . A 136 GLY HA2 . 17883 1 128 . 1 1 24 24 GLY HA3 H 1 3.825 0.009 . 2 . . . A 136 GLY HA3 . 17883 1 129 . 1 1 24 24 GLY CA C 13 45.264 0.035 . 1 . . . A 136 GLY CA . 17883 1 130 . 1 1 24 24 GLY N N 15 111.029 0.000 . 1 . . . A 136 GLY N . 17883 1 131 . 1 1 25 25 ASP H H 1 8.086 0.008 . 1 . . . A 137 ASP H . 17883 1 132 . 1 1 25 25 ASP HA H 1 4.570 0.004 . 1 . . . A 137 ASP HA . 17883 1 133 . 1 1 25 25 ASP HB2 H 1 2.603 0.004 . 2 . . . A 137 ASP HB2 . 17883 1 134 . 1 1 25 25 ASP HB3 H 1 2.603 0.004 . 2 . . . A 137 ASP HB3 . 17883 1 135 . 1 1 25 25 ASP CA C 13 54.137 0.011 . 1 . . . A 137 ASP CA . 17883 1 136 . 1 1 25 25 ASP CB C 13 41.218 0.026 . 1 . . . A 137 ASP CB . 17883 1 137 . 1 1 25 25 ASP N N 15 120.870 0.020 . 1 . . . A 137 ASP N . 17883 1 138 . 1 1 26 26 ARG H H 1 8.333 0.005 . 1 . . . A 138 ARG H . 17883 1 139 . 1 1 26 26 ARG HA H 1 4.734 0.006 . 1 . . . A 138 ARG HA . 17883 1 140 . 1 1 26 26 ARG HB2 H 1 1.603 0.007 . 2 . . . A 138 ARG HB2 . 17883 1 141 . 1 1 26 26 ARG HB3 H 1 1.501 0.004 . 2 . . . A 138 ARG HB3 . 17883 1 142 . 1 1 26 26 ARG HG2 H 1 1.547 0.005 . 2 . . . A 138 ARG HG2 . 17883 1 143 . 1 1 26 26 ARG HG3 H 1 1.421 0.003 . 2 . . . A 138 ARG HG3 . 17883 1 144 . 1 1 26 26 ARG HD2 H 1 3.179 0.007 . 2 . . . A 138 ARG HD2 . 17883 1 145 . 1 1 26 26 ARG HD3 H 1 3.125 0.005 . 2 . . . A 138 ARG HD3 . 17883 1 146 . 1 1 26 26 ARG HE H 1 7.289 0.002 . 1 . . . A 138 ARG HE . 17883 1 147 . 1 1 26 26 ARG CA C 13 54.176 0.000 . 1 . . . A 138 ARG CA . 17883 1 148 . 1 1 26 26 ARG CB C 13 32.736 0.031 . 1 . . . A 138 ARG CB . 17883 1 149 . 1 1 26 26 ARG CG C 13 27.838 0.016 . 1 . . . A 138 ARG CG . 17883 1 150 . 1 1 26 26 ARG CD C 13 43.342 0.036 . 1 . . . A 138 ARG CD . 17883 1 151 . 1 1 26 26 ARG N N 15 118.980 0.022 . 1 . . . A 138 ARG N . 17883 1 152 . 1 1 27 27 CYS HB2 H 1 2.708 0.005 . 2 . . . A 139 CYS HB2 . 17883 1 153 . 1 1 27 27 CYS HB3 H 1 1.689 0.006 . 2 . . . A 139 CYS HB3 . 17883 1 154 . 1 1 27 27 CYS CA C 13 59.748 0.019 . 1 . . . A 139 CYS CA . 17883 1 155 . 1 1 27 27 CYS CB C 13 29.858 0.043 . 1 . . . A 139 CYS CB . 17883 1 156 . 1 1 27 27 CYS N N 15 127.458 0.053 . 1 . . . A 139 CYS N . 17883 1 157 . 1 1 28 28 TYR H H 1 9.104 0.005 . 1 . . . A 140 TYR H . 17883 1 158 . 1 1 28 28 TYR HA H 1 4.745 0.013 . 1 . . . A 140 TYR HA . 17883 1 159 . 1 1 28 28 TYR HB2 H 1 3.104 0.009 . 2 . . . A 140 TYR HB2 . 17883 1 160 . 1 1 28 28 TYR HB3 H 1 2.076 0.009 . 2 . . . A 140 TYR HB3 . 17883 1 161 . 1 1 28 28 TYR HD1 H 1 6.364 0.008 . 3 . . . A 140 TYR HD1 . 17883 1 162 . 1 1 28 28 TYR HD2 H 1 6.364 0.008 . 3 . . . A 140 TYR HD2 . 17883 1 163 . 1 1 28 28 TYR HE1 H 1 6.028 0.014 . 3 . . . A 140 TYR HE1 . 17883 1 164 . 1 1 28 28 TYR HE2 H 1 6.028 0.014 . 3 . . . A 140 TYR HE2 . 17883 1 165 . 1 1 28 28 TYR CA C 13 56.913 0.020 . 1 . . . A 140 TYR CA . 17883 1 166 . 1 1 28 28 TYR CB C 13 37.385 0.020 . 1 . . . A 140 TYR CB . 17883 1 167 . 1 1 28 28 TYR CD1 C 13 130.612 0.069 . 3 . . . A 140 TYR CD1 . 17883 1 168 . 1 1 28 28 TYR CE2 C 13 117.288 0.044 . 3 . . . A 140 TYR CE2 . 17883 1 169 . 1 1 28 28 TYR N N 15 130.460 0.019 . 1 . . . A 140 TYR N . 17883 1 170 . 1 1 29 29 ASN H H 1 9.876 0.004 . 1 . . . A 141 ASN H . 17883 1 171 . 1 1 29 29 ASN HA H 1 5.087 0.009 . 1 . . . A 141 ASN HA . 17883 1 172 . 1 1 29 29 ASN HB2 H 1 3.358 0.008 . 2 . . . A 141 ASN HB2 . 17883 1 173 . 1 1 29 29 ASN HB3 H 1 2.716 0.007 . 2 . . . A 141 ASN HB3 . 17883 1 174 . 1 1 29 29 ASN HD21 H 1 6.833 0.006 . 2 . . . A 141 ASN HD21 . 17883 1 175 . 1 1 29 29 ASN HD22 H 1 8.537 0.006 . 2 . . . A 141 ASN HD22 . 17883 1 176 . 1 1 29 29 ASN CA C 13 56.485 0.033 . 1 . . . A 141 ASN CA . 17883 1 177 . 1 1 29 29 ASN CB C 13 40.457 0.037 . 1 . . . A 141 ASN CB . 17883 1 178 . 1 1 29 29 ASN N N 15 120.993 0.039 . 1 . . . A 141 ASN N . 17883 1 179 . 1 1 29 29 ASN ND2 N 15 118.181 0.044 . 1 . . . A 141 ASN ND2 . 17883 1 180 . 1 1 30 30 CYS HB2 H 1 3.379 0.006 . 2 . . . A 142 CYS HB2 . 17883 1 181 . 1 1 30 30 CYS HB3 H 1 2.594 0.007 . 2 . . . A 142 CYS HB3 . 17883 1 182 . 1 1 30 30 CYS H H 1 8.902 0.006 . 1 . . . A 142 CYS H . 17883 1 183 . 1 1 30 30 CYS CA C 13 58.871 0.035 . 1 . . . A 142 CYS CA . 17883 1 184 . 1 1 30 30 CYS CB C 13 34.421 0.038 . 1 . . . A 142 CYS CB . 17883 1 185 . 1 1 31 31 GLY H H 1 8.163 0.005 . 1 . . . A 143 GLY H . 17883 1 186 . 1 1 31 31 GLY HA2 H 1 4.359 0.006 . 2 . . . A 143 GLY HA2 . 17883 1 187 . 1 1 31 31 GLY HA3 H 1 3.872 0.010 . 2 . . . A 143 GLY HA3 . 17883 1 188 . 1 1 31 31 GLY CA C 13 46.119 0.034 . 1 . . . A 143 GLY CA . 17883 1 189 . 1 1 31 31 GLY N N 15 113.706 0.009 . 1 . . . A 143 GLY N . 17883 1 190 . 1 1 32 32 GLY H H 1 9.424 0.005 . 1 . . . A 144 GLY H . 17883 1 191 . 1 1 32 32 GLY HA2 H 1 4.143 0.007 . 2 . . . A 144 GLY HA2 . 17883 1 192 . 1 1 32 32 GLY HA3 H 1 3.696 0.006 . 2 . . . A 144 GLY HA3 . 17883 1 193 . 1 1 32 32 GLY CA C 13 43.976 0.037 . 1 . . . A 144 GLY CA . 17883 1 194 . 1 1 32 32 GLY N N 15 113.433 0.044 . 1 . . . A 144 GLY N . 17883 1 195 . 1 1 33 33 LEU H H 1 8.344 0.007 . 1 . . . A 145 LEU H . 17883 1 196 . 1 1 33 33 LEU HA H 1 4.573 0.005 . 1 . . . A 145 LEU HA . 17883 1 197 . 1 1 33 33 LEU HB2 H 1 1.612 0.007 . 2 . . . A 145 LEU HB2 . 17883 1 198 . 1 1 33 33 LEU HB3 H 1 1.540 0.008 . 2 . . . A 145 LEU HB3 . 17883 1 199 . 1 1 33 33 LEU HG H 1 1.654 0.006 . 1 . . . A 145 LEU HG . 17883 1 200 . 1 1 33 33 LEU HD11 H 1 0.902 0.006 . 1 . . . A 145 LEU QD1 . 17883 1 201 . 1 1 33 33 LEU HD12 H 1 0.902 0.006 . 1 . . . A 145 LEU QD1 . 17883 1 202 . 1 1 33 33 LEU HD13 H 1 0.902 0.006 . 1 . . . A 145 LEU QD1 . 17883 1 203 . 1 1 33 33 LEU HD21 H 1 0.798 0.005 . 1 . . . A 145 LEU QD1 . 17883 1 204 . 1 1 33 33 LEU HD22 H 1 0.798 0.005 . 1 . . . A 145 LEU QD1 . 17883 1 205 . 1 1 33 33 LEU HD23 H 1 0.798 0.005 . 1 . . . A 145 LEU QD1 . 17883 1 206 . 1 1 33 33 LEU CA C 13 55.618 0.014 . 1 . . . A 145 LEU CA . 17883 1 207 . 1 1 33 33 LEU CB C 13 43.767 0.019 . 1 . . . A 145 LEU CB . 17883 1 208 . 1 1 33 33 LEU CG C 13 27.623 0.030 . 1 . . . A 145 LEU CG . 17883 1 209 . 1 1 33 33 LEU CD1 C 13 25.260 0.014 . 1 . . . A 145 LEU CD1 . 17883 1 210 . 1 1 33 33 LEU CD2 C 13 23.596 0.031 . 1 . . . A 145 LEU CD2 . 17883 1 211 . 1 1 33 33 LEU N N 15 119.128 0.023 . 1 . . . A 145 LEU N . 17883 1 212 . 1 1 34 34 ASP H H 1 8.496 0.006 . 1 . . . A 146 ASP H . 17883 1 213 . 1 1 34 34 ASP HA H 1 4.430 0.007 . 1 . . . A 146 ASP HA . 17883 1 214 . 1 1 34 34 ASP HB2 H 1 2.990 0.008 . 2 . . . A 146 ASP HB2 . 17883 1 215 . 1 1 34 34 ASP HB3 H 1 2.775 0.008 . 2 . . . A 146 ASP HB3 . 17883 1 216 . 1 1 34 34 ASP CA C 13 55.090 0.039 . 1 . . . A 146 ASP CA . 17883 1 217 . 1 1 34 34 ASP CB C 13 39.633 0.055 . 1 . . . A 146 ASP CB . 17883 1 218 . 1 1 34 34 ASP N N 15 113.621 0.031 . 1 . . . A 146 ASP N . 17883 1 219 . 1 1 35 35 HIS H H 1 7.096 0.005 . 1 . . . A 147 HIS H . 17883 1 220 . 1 1 35 35 HIS HA H 1 4.484 0.010 . 1 . . . A 147 HIS HA . 17883 1 221 . 1 1 35 35 HIS HB2 H 1 3.200 0.010 . 2 . . . A 147 HIS HB2 . 17883 1 222 . 1 1 35 35 HIS HB3 H 1 3.128 0.009 . 2 . . . A 147 HIS HB3 . 17883 1 223 . 1 1 35 35 HIS HD1 H 1 11.533 0.011 . 1 . . . A 147 HIS HD1 . 17883 1 224 . 1 1 35 35 HIS HD2 H 1 6.973 0.009 . 1 . . . A 147 HIS HD2 . 17883 1 225 . 1 1 35 35 HIS HE1 H 1 7.623 0.005 . 1 . . . A 147 HIS HE1 . 17883 1 226 . 1 1 35 35 HIS CA C 13 56.242 0.037 . 1 . . . A 147 HIS CA . 17883 1 227 . 1 1 35 35 HIS CB C 13 29.991 0.036 . 1 . . . A 147 HIS CB . 17883 1 228 . 1 1 35 35 HIS CD2 C 13 127.983 0.131 . 1 . . . A 147 HIS CD2 . 17883 1 229 . 1 1 35 35 HIS CE1 C 13 138.200 0.021 . 1 . . . A 147 HIS CE1 . 17883 1 230 . 1 1 35 35 HIS N N 15 111.576 0.024 . 1 . . . A 147 HIS N . 17883 1 231 . 1 1 35 35 HIS ND1 N 15 171.875 0.007 . 1 . . . A 147 HIS ND1 . 17883 1 232 . 1 1 36 36 HIS H H 1 8.647 0.011 . 1 . . . A 148 HIS H . 17883 1 233 . 1 1 36 36 HIS HA H 1 4.815 0.008 . 1 . . . A 148 HIS HA . 17883 1 234 . 1 1 36 36 HIS HB2 H 1 3.001 0.012 . 2 . . . A 148 HIS HB2 . 17883 1 235 . 1 1 36 36 HIS HB3 H 1 2.849 0.009 . 2 . . . A 148 HIS HB3 . 17883 1 236 . 1 1 36 36 HIS HD2 H 1 6.131 0.009 . 1 . . . A 148 HIS HD2 . 17883 1 237 . 1 1 36 36 HIS CA C 13 51.357 0.049 . 1 . . . A 148 HIS CA . 17883 1 238 . 1 1 36 36 HIS CB C 13 32.707 0.063 . 1 . . . A 148 HIS CB . 17883 1 239 . 1 1 36 36 HIS CD2 C 13 115.312 0.014 . 1 . . . A 148 HIS CD2 . 17883 1 240 . 1 1 36 36 HIS N N 15 115.980 0.025 . 1 . . . A 148 HIS N . 17883 1 241 . 1 1 37 37 ALA H H 1 9.235 0.006 . 1 . . . A 149 ALA H . 17883 1 242 . 1 1 37 37 ALA HA H 1 4.577 0.006 . 1 . . . A 149 ALA HA . 17883 1 243 . 1 1 37 37 ALA HB1 H 1 1.331 0.007 . 1 . . . A 149 ALA QB . 17883 1 244 . 1 1 37 37 ALA HB2 H 1 1.331 0.007 . 1 . . . A 149 ALA QB . 17883 1 245 . 1 1 37 37 ALA HB3 H 1 1.331 0.007 . 1 . . . A 149 ALA QB . 17883 1 246 . 1 1 37 37 ALA CA C 13 56.707 0.039 . 1 . . . A 149 ALA CA . 17883 1 247 . 1 1 37 37 ALA CB C 13 18.465 0.038 . 1 . . . A 149 ALA CB . 17883 1 248 . 1 1 37 37 ALA N N 15 124.605 0.032 . 1 . . . A 149 ALA N . 17883 1 249 . 1 1 38 38 LYS H H 1 9.124 0.005 . 1 . . . A 150 LYS H . 17883 1 250 . 1 1 38 38 LYS HA H 1 4.278 0.005 . 1 . . . A 150 LYS HA . 17883 1 251 . 1 1 38 38 LYS HB2 H 1 1.964 0.007 . 2 . . . A 150 LYS HB2 . 17883 1 252 . 1 1 38 38 LYS HB3 H 1 1.900 0.005 . 2 . . . A 150 LYS HB3 . 17883 1 253 . 1 1 38 38 LYS HG2 H 1 1.546 0.007 . 2 . . . A 150 LYS HG2 . 17883 1 254 . 1 1 38 38 LYS HG3 H 1 1.546 0.007 . 2 . . . A 150 LYS HG3 . 17883 1 255 . 1 1 38 38 LYS HD2 H 1 1.809 0.004 . 2 . . . A 150 LYS HD2 . 17883 1 256 . 1 1 38 38 LYS HD3 H 1 1.809 0.004 . 2 . . . A 150 LYS HD3 . 17883 1 257 . 1 1 38 38 LYS HE2 H 1 3.102 0.010 . 2 . . . A 150 LYS HE2 . 17883 1 258 . 1 1 38 38 LYS HE3 H 1 3.102 0.010 . 2 . . . A 150 LYS HE3 . 17883 1 259 . 1 1 38 38 LYS CA C 13 58.776 0.039 . 1 . . . A 150 LYS CA . 17883 1 260 . 1 1 38 38 LYS CB C 13 31.750 0.010 . 1 . . . A 150 LYS CB . 17883 1 261 . 1 1 38 38 LYS CG C 13 24.766 0.036 . 1 . . . A 150 LYS CG . 17883 1 262 . 1 1 38 38 LYS CD C 13 29.193 0.083 . 1 . . . A 150 LYS CD . 17883 1 263 . 1 1 38 38 LYS CE C 13 42.005 0.030 . 1 . . . A 150 LYS CE . 17883 1 264 . 1 1 38 38 LYS N N 15 118.194 0.045 . 1 . . . A 150 LYS N . 17883 1 265 . 1 1 39 39 GLU H H 1 7.885 0.006 . 1 . . . A 151 GLU H . 17883 1 266 . 1 1 39 39 GLU HA H 1 4.524 0.011 . 1 . . . A 151 GLU HA . 17883 1 267 . 1 1 39 39 GLU HB2 H 1 2.213 0.006 . 2 . . . A 151 GLU HB2 . 17883 1 268 . 1 1 39 39 GLU HB3 H 1 2.213 0.006 . 2 . . . A 151 GLU HB3 . 17883 1 269 . 1 1 39 39 GLU HG2 H 1 2.393 0.006 . 2 . . . A 151 GLU HG2 . 17883 1 270 . 1 1 39 39 GLU HG3 H 1 2.185 0.006 . 2 . . . A 151 GLU HG3 . 17883 1 271 . 1 1 39 39 GLU CA C 13 55.362 0.021 . 1 . . . A 151 GLU CA . 17883 1 272 . 1 1 39 39 GLU CB C 13 30.105 0.059 . 1 . . . A 151 GLU CB . 17883 1 273 . 1 1 39 39 GLU CG C 13 36.445 0.038 . 1 . . . A 151 GLU CG . 17883 1 274 . 1 1 39 39 GLU N N 15 116.342 0.054 . 1 . . . A 151 GLU N . 17883 1 275 . 1 1 40 40 CYS HB2 H 1 3.393 0.007 . 2 . . . A 152 CYS HB2 . 17883 1 276 . 1 1 40 40 CYS HB3 H 1 3.114 0.005 . 2 . . . A 152 CYS HB3 . 17883 1 277 . 1 1 40 40 CYS CA C 13 62.850 0.022 . 1 . . . A 152 CYS CA . 17883 1 278 . 1 1 40 40 CYS CB C 13 30.530 0.039 . 1 . . . A 152 CYS CB . 17883 1 279 . 1 1 40 40 CYS N N 15 124.889 0.037 . 1 . . . A 152 CYS N . 17883 1 280 . 1 1 41 41 LYS H H 1 8.616 0.005 . 1 . . . A 153 LYS H . 17883 1 281 . 1 1 41 41 LYS HA H 1 4.372 0.006 . 1 . . . A 153 LYS HA . 17883 1 282 . 1 1 41 41 LYS HB2 H 1 1.987 0.006 . 2 . . . A 153 LYS HB2 . 17883 1 283 . 1 1 41 41 LYS HB3 H 1 1.987 0.006 . 2 . . . A 153 LYS HB3 . 17883 1 284 . 1 1 41 41 LYS HG2 H 1 1.450 0.012 . 2 . . . A 153 LYS HG2 . 17883 1 285 . 1 1 41 41 LYS HG3 H 1 1.385 0.005 . 2 . . . A 153 LYS HG3 . 17883 1 286 . 1 1 41 41 LYS HD2 H 1 1.659 0.008 . 2 . . . A 153 LYS HD2 . 17883 1 287 . 1 1 41 41 LYS HD3 H 1 1.659 0.008 . 2 . . . A 153 LYS HD3 . 17883 1 288 . 1 1 41 41 LYS HE2 H 1 2.968 0.007 . 2 . . . A 153 LYS HE2 . 17883 1 289 . 1 1 41 41 LYS HE3 H 1 2.968 0.007 . 2 . . . A 153 LYS HE3 . 17883 1 290 . 1 1 41 41 LYS CA C 13 56.348 0.010 . 1 . . . A 153 LYS CA . 17883 1 291 . 1 1 41 41 LYS CB C 13 32.582 0.009 . 1 . . . A 153 LYS CB . 17883 1 292 . 1 1 41 41 LYS CG C 13 24.871 0.074 . 1 . . . A 153 LYS CG . 17883 1 293 . 1 1 41 41 LYS CD C 13 29.037 0.013 . 1 . . . A 153 LYS CD . 17883 1 294 . 1 1 41 41 LYS N N 15 127.339 0.039 . 1 . . . A 153 LYS N . 17883 1 295 . 1 1 42 42 LEU H H 1 8.346 0.004 . 1 . . . A 154 LEU H . 17883 1 296 . 1 1 42 42 LEU HA H 1 4.658 0.004 . 1 . . . A 154 LEU HA . 17883 1 297 . 1 1 42 42 LEU HB2 H 1 1.729 0.005 . 2 . . . A 154 LEU HB2 . 17883 1 298 . 1 1 42 42 LEU HB3 H 1 1.606 0.005 . 2 . . . A 154 LEU HB3 . 17883 1 299 . 1 1 42 42 LEU HG H 1 1.741 0.004 . 1 . . . A 154 LEU HG . 17883 1 300 . 1 1 42 42 LEU HD11 H 1 0.947 0.005 . 2 . . . A 154 LEU HD11 . 17883 1 301 . 1 1 42 42 LEU HD12 H 1 0.947 0.005 . 2 . . . A 154 LEU HD12 . 17883 1 302 . 1 1 42 42 LEU HD13 H 1 0.947 0.005 . 2 . . . A 154 LEU HD13 . 17883 1 303 . 1 1 42 42 LEU HD21 H 1 0.915 0.006 . 2 . . . A 154 LEU HD21 . 17883 1 304 . 1 1 42 42 LEU HD22 H 1 0.915 0.006 . 2 . . . A 154 LEU HD22 . 17883 1 305 . 1 1 42 42 LEU HD23 H 1 0.915 0.006 . 2 . . . A 154 LEU HD23 . 17883 1 306 . 1 1 42 42 LEU CA C 13 53.634 0.013 . 1 . . . A 154 LEU CA . 17883 1 307 . 1 1 42 42 LEU CB C 13 41.617 0.040 . 1 . . . A 154 LEU CB . 17883 1 308 . 1 1 42 42 LEU CG C 13 27.899 0.021 . 1 . . . A 154 LEU CG . 17883 1 309 . 1 1 42 42 LEU CD1 C 13 25.365 0.007 . 2 . . . A 154 LEU CD1 . 17883 1 310 . 1 1 42 42 LEU CD2 C 13 23.512 0.029 . 2 . . . A 154 LEU CD2 . 17883 1 311 . 1 1 42 42 LEU N N 15 124.669 0.031 . 1 . . . A 154 LEU N . 17883 1 312 . 1 1 43 43 PRO HA H 1 4.679 0.008 . 1 . . . A 155 PRO HA . 17883 1 313 . 1 1 43 43 PRO HB2 H 1 2.423 0.006 . 2 . . . A 155 PRO HB2 . 17883 1 314 . 1 1 43 43 PRO HB3 H 1 1.804 0.007 . 2 . . . A 155 PRO HB3 . 17883 1 315 . 1 1 43 43 PRO HG2 H 1 2.040 0.003 . 2 . . . A 155 PRO HG2 . 17883 1 316 . 1 1 43 43 PRO HG3 H 1 1.939 0.010 . 2 . . . A 155 PRO HG3 . 17883 1 317 . 1 1 43 43 PRO HD2 H 1 3.844 0.007 . 2 . . . A 155 PRO HD2 . 17883 1 318 . 1 1 43 43 PRO HD3 H 1 3.493 0.005 . 2 . . . A 155 PRO HD3 . 17883 1 319 . 1 1 43 43 PRO CA C 13 61.632 0.024 . 1 . . . A 155 PRO CA . 17883 1 320 . 1 1 43 43 PRO CB C 13 30.367 0.017 . 1 . . . A 155 PRO CB . 17883 1 321 . 1 1 43 43 PRO CG C 13 27.518 0.063 . 1 . . . A 155 PRO CG . 17883 1 322 . 1 1 43 43 PRO CD C 13 50.269 0.033 . 1 . . . A 155 PRO CD . 17883 1 323 . 1 1 44 44 PRO HA H 1 4.578 0.010 . 1 . . . A 156 PRO HA . 17883 1 324 . 1 1 44 44 PRO HB2 H 1 2.302 0.006 . 2 . . . A 156 PRO HB2 . 17883 1 325 . 1 1 44 44 PRO HB3 H 1 1.857 0.007 . 2 . . . A 156 PRO HB3 . 17883 1 326 . 1 1 44 44 PRO HG2 H 1 2.127 0.004 . 2 . . . A 156 PRO HG2 . 17883 1 327 . 1 1 44 44 PRO HG3 H 1 2.042 0.006 . 2 . . . A 156 PRO HG3 . 17883 1 328 . 1 1 44 44 PRO HD2 H 1 3.826 0.005 . 2 . . . A 156 PRO HD2 . 17883 1 329 . 1 1 44 44 PRO HD3 H 1 3.575 0.007 . 2 . . . A 156 PRO HD3 . 17883 1 330 . 1 1 44 44 PRO CA C 13 63.930 0.026 . 1 . . . A 156 PRO CA . 17883 1 331 . 1 1 44 44 PRO CB C 13 31.742 0.065 . 1 . . . A 156 PRO CB . 17883 1 332 . 1 1 44 44 PRO CG C 13 27.827 0.024 . 1 . . . A 156 PRO CG . 17883 1 333 . 1 1 44 44 PRO CD C 13 50.401 0.020 . 1 . . . A 156 PRO CD . 17883 1 334 . 1 1 45 45 GLN H H 1 9.106 0.006 . 1 . . . A 157 GLN H . 17883 1 335 . 1 1 45 45 GLN HA H 1 4.671 0.009 . 1 . . . A 157 GLN HA . 17883 1 336 . 1 1 45 45 GLN HB2 H 1 2.193 0.006 . 2 . . . A 157 GLN HB2 . 17883 1 337 . 1 1 45 45 GLN HB3 H 1 1.989 0.010 . 2 . . . A 157 GLN HB3 . 17883 1 338 . 1 1 45 45 GLN HG2 H 1 2.530 0.008 . 2 . . . A 157 GLN HG2 . 17883 1 339 . 1 1 45 45 GLN HG3 H 1 2.271 0.007 . 2 . . . A 157 GLN HG3 . 17883 1 340 . 1 1 45 45 GLN HE21 H 1 7.196 0.006 . 2 . . . A 157 GLN HE21 . 17883 1 341 . 1 1 45 45 GLN HE22 H 1 7.499 0.005 . 2 . . . A 157 GLN HE22 . 17883 1 342 . 1 1 45 45 GLN CA C 13 52.297 0.037 . 1 . . . A 157 GLN CA . 17883 1 343 . 1 1 45 45 GLN CB C 13 29.793 0.086 . 1 . . . A 157 GLN CB . 17883 1 344 . 1 1 45 45 GLN CG C 13 33.775 0.081 . 1 . . . A 157 GLN CG . 17883 1 345 . 1 1 45 45 GLN N N 15 125.254 0.020 . 1 . . . A 157 GLN N . 17883 1 346 . 1 1 45 45 GLN NE2 N 15 115.422 0.054 . 1 . . . A 157 GLN NE2 . 17883 1 347 . 1 1 46 46 PRO HA H 1 4.444 0.009 . 1 . . . A 158 PRO HA . 17883 1 348 . 1 1 46 46 PRO HB2 H 1 2.314 0.011 . 2 . . . A 158 PRO HB2 . 17883 1 349 . 1 1 46 46 PRO HB3 H 1 1.761 0.005 . 2 . . . A 158 PRO HB3 . 17883 1 350 . 1 1 46 46 PRO HG2 H 1 2.016 0.009 . 2 . . . A 158 PRO HG2 . 17883 1 351 . 1 1 46 46 PRO HG3 H 1 2.016 0.009 . 2 . . . A 158 PRO HG3 . 17883 1 352 . 1 1 46 46 PRO HD2 H 1 3.780 0.007 . 2 . . . A 158 PRO HD2 . 17883 1 353 . 1 1 46 46 PRO HD3 H 1 3.595 0.007 . 2 . . . A 158 PRO HD3 . 17883 1 354 . 1 1 46 46 PRO CA C 13 62.739 0.020 . 1 . . . A 158 PRO CA . 17883 1 355 . 1 1 46 46 PRO CB C 13 32.040 0.031 . 1 . . . A 158 PRO CB . 17883 1 356 . 1 1 46 46 PRO CG C 13 27.470 0.037 . 1 . . . A 158 PRO CG . 17883 1 357 . 1 1 46 46 PRO CD C 13 50.390 0.058 . 1 . . . A 158 PRO CD . 17883 1 358 . 1 1 47 47 LYS H H 1 8.383 0.005 . 1 . . . A 159 LYS H . 17883 1 359 . 1 1 47 47 LYS HA H 1 4.024 0.005 . 1 . . . A 159 LYS HA . 17883 1 360 . 1 1 47 47 LYS HB2 H 1 1.477 0.006 . 2 . . . A 159 LYS HB2 . 17883 1 361 . 1 1 47 47 LYS HB3 H 1 1.356 0.006 . 2 . . . A 159 LYS HB3 . 17883 1 362 . 1 1 47 47 LYS HG2 H 1 1.478 0.002 . 2 . . . A 159 LYS HG2 . 17883 1 363 . 1 1 47 47 LYS HG3 H 1 1.425 0.004 . 2 . . . A 159 LYS HG3 . 17883 1 364 . 1 1 47 47 LYS HD2 H 1 1.461 0.004 . 2 . . . A 159 LYS HD2 . 17883 1 365 . 1 1 47 47 LYS HD3 H 1 1.461 0.004 . 2 . . . A 159 LYS HD3 . 17883 1 366 . 1 1 47 47 LYS HE2 H 1 2.864 0.006 . 2 . . . A 159 LYS HE2 . 17883 1 367 . 1 1 47 47 LYS HE3 H 1 2.864 0.006 . 2 . . . A 159 LYS HE3 . 17883 1 368 . 1 1 47 47 LYS CA C 13 57.770 0.015 . 1 . . . A 159 LYS CA . 17883 1 369 . 1 1 47 47 LYS CB C 13 33.241 0.016 . 1 . . . A 159 LYS CB . 17883 1 370 . 1 1 47 47 LYS CG C 13 25.720 0.036 . 1 . . . A 159 LYS CG . 17883 1 371 . 1 1 47 47 LYS CD C 13 29.866 0.018 . 1 . . . A 159 LYS CD . 17883 1 372 . 1 1 47 47 LYS CE C 13 42.197 0.023 . 1 . . . A 159 LYS CE . 17883 1 373 . 1 1 47 47 LYS N N 15 122.637 0.010 . 1 . . . A 159 LYS N . 17883 1 374 . 1 1 48 48 LYS H H 1 8.116 0.007 . 1 . . . A 160 LYS H . 17883 1 375 . 1 1 48 48 LYS HA H 1 4.504 0.006 . 1 . . . A 160 LYS HA . 17883 1 376 . 1 1 48 48 LYS HB2 H 1 1.472 0.005 . 2 . . . A 160 LYS HB2 . 17883 1 377 . 1 1 48 48 LYS HB3 H 1 1.275 0.006 . 2 . . . A 160 LYS HB3 . 17883 1 378 . 1 1 48 48 LYS HG2 H 1 1.146 0.008 . 2 . . . A 160 LYS HG2 . 17883 1 379 . 1 1 48 48 LYS HG3 H 1 1.146 0.008 . 2 . . . A 160 LYS HG3 . 17883 1 380 . 1 1 48 48 LYS HD2 H 1 1.717 0.004 . 2 . . . A 160 LYS HD2 . 17883 1 381 . 1 1 48 48 LYS HD3 H 1 1.609 0.004 . 2 . . . A 160 LYS HD3 . 17883 1 382 . 1 1 48 48 LYS HE2 H 1 2.939 0.005 . 2 . . . A 160 LYS HE2 . 17883 1 383 . 1 1 48 48 LYS HE3 H 1 2.939 0.005 . 2 . . . A 160 LYS HE3 . 17883 1 384 . 1 1 48 48 LYS CA C 13 54.243 0.038 . 1 . . . A 160 LYS CA . 17883 1 385 . 1 1 48 48 LYS CB C 13 35.359 0.025 . 1 . . . A 160 LYS CB . 17883 1 386 . 1 1 48 48 LYS CG C 13 25.209 0.047 . 1 . . . A 160 LYS CG . 17883 1 387 . 1 1 48 48 LYS CD C 13 29.367 0.029 . 1 . . . A 160 LYS CD . 17883 1 388 . 1 1 48 48 LYS CE C 13 42.189 0.032 . 1 . . . A 160 LYS CE . 17883 1 389 . 1 1 48 48 LYS N N 15 121.549 0.025 . 1 . . . A 160 LYS N . 17883 1 390 . 1 1 49 49 CYS HB2 H 1 2.862 0.006 . 2 . . . A 161 CYS HB2 . 17883 1 391 . 1 1 49 49 CYS HB3 H 1 2.795 0.004 . 2 . . . A 161 CYS HB3 . 17883 1 392 . 1 1 49 49 CYS CA C 13 60.262 0.030 . 1 . . . A 161 CYS CA . 17883 1 393 . 1 1 49 49 CYS CB C 13 29.707 0.052 . 1 . . . A 161 CYS CB . 17883 1 394 . 1 1 49 49 CYS N N 15 128.764 0.017 . 1 . . . A 161 CYS N . 17883 1 395 . 1 1 50 50 HIS H H 1 8.420 0.007 . 1 . . . A 162 HIS H . 17883 1 396 . 1 1 50 50 HIS HA H 1 4.698 0.011 . 1 . . . A 162 HIS HA . 17883 1 397 . 1 1 50 50 HIS HB2 H 1 3.115 0.007 . 2 . . . A 162 HIS HB2 . 17883 1 398 . 1 1 50 50 HIS HB3 H 1 2.401 0.011 . 2 . . . A 162 HIS HB3 . 17883 1 399 . 1 1 50 50 HIS HD2 H 1 5.986 0.008 . 1 . . . A 162 HIS HD2 . 17883 1 400 . 1 1 50 50 HIS HE1 H 1 7.415 0.010 . 1 . . . A 162 HIS HE1 . 17883 1 401 . 1 1 50 50 HIS CA C 13 58.626 0.029 . 1 . . . A 162 HIS CA . 17883 1 402 . 1 1 50 50 HIS CB C 13 31.866 0.052 . 1 . . . A 162 HIS CB . 17883 1 403 . 1 1 50 50 HIS CD2 C 13 117.229 0.052 . 1 . . . A 162 HIS CD2 . 17883 1 404 . 1 1 50 50 HIS CE1 C 13 139.208 0.023 . 1 . . . A 162 HIS CE1 . 17883 1 405 . 1 1 50 50 HIS N N 15 127.527 0.029 . 1 . . . A 162 HIS N . 17883 1 406 . 1 1 51 51 PHE H H 1 9.692 0.005 . 1 . . . A 163 PHE H . 17883 1 407 . 1 1 51 51 PHE HA H 1 4.776 0.008 . 1 . . . A 163 PHE HA . 17883 1 408 . 1 1 51 51 PHE HB2 H 1 3.703 0.007 . 2 . . . A 163 PHE HB2 . 17883 1 409 . 1 1 51 51 PHE HB3 H 1 3.177 0.007 . 2 . . . A 163 PHE HB3 . 17883 1 410 . 1 1 51 51 PHE HD1 H 1 7.389 0.006 . 3 . . . A 163 PHE HD1 . 17883 1 411 . 1 1 51 51 PHE HD2 H 1 7.389 0.006 . 3 . . . A 163 PHE HD2 . 17883 1 412 . 1 1 51 51 PHE HE1 H 1 7.288 0.007 . 3 . . . A 163 PHE HE1 . 17883 1 413 . 1 1 51 51 PHE HE2 H 1 7.288 0.007 . 3 . . . A 163 PHE HE2 . 17883 1 414 . 1 1 51 51 PHE HZ H 1 7.289 0.002 . 1 . . . A 163 PHE HZ . 17883 1 415 . 1 1 51 51 PHE CA C 13 60.975 0.047 . 1 . . . A 163 PHE CA . 17883 1 416 . 1 1 51 51 PHE CB C 13 40.608 0.042 . 1 . . . A 163 PHE CB . 17883 1 417 . 1 1 51 51 PHE CD1 C 13 132.003 0.188 . 3 . . . A 163 PHE CD1 . 17883 1 418 . 1 1 51 51 PHE CE1 C 13 131.781 0.070 . 3 . . . A 163 PHE CE1 . 17883 1 419 . 1 1 51 51 PHE CZ C 13 130.243 0.081 . 1 . . . A 163 PHE CZ . 17883 1 420 . 1 1 51 51 PHE N N 15 121.900 0.024 . 1 . . . A 163 PHE N . 17883 1 421 . 1 1 52 52 CYS HB2 H 1 3.390 0.009 . 2 . . . A 164 CYS HB2 . 17883 1 422 . 1 1 52 52 CYS HB3 H 1 2.676 0.006 . 2 . . . A 164 CYS HB3 . 17883 1 423 . 1 1 52 52 CYS CA C 13 59.009 0.025 . 1 . . . A 164 CYS CA . 17883 1 424 . 1 1 52 52 CYS CB C 13 33.385 0.025 . 1 . . . A 164 CYS CB . 17883 1 425 . 1 1 52 52 CYS N N 15 118.605 0.044 . 1 . . . A 164 CYS N . 17883 1 426 . 1 1 53 53 GLN H H 1 8.225 0.007 . 1 . . . A 165 GLN H . 17883 1 427 . 1 1 53 53 GLN HA H 1 4.039 0.003 . 1 . . . A 165 GLN HA . 17883 1 428 . 1 1 53 53 GLN HB2 H 1 2.498 0.006 . 2 . . . A 165 GLN HB2 . 17883 1 429 . 1 1 53 53 GLN HB3 H 1 2.332 0.007 . 2 . . . A 165 GLN HB3 . 17883 1 430 . 1 1 53 53 GLN HG2 H 1 2.279 0.002 . 2 . . . A 165 GLN HG2 . 17883 1 431 . 1 1 53 53 GLN HG3 H 1 2.196 0.007 . 2 . . . A 165 GLN HG3 . 17883 1 432 . 1 1 53 53 GLN HE21 H 1 6.601 0.007 . 2 . . . A 165 GLN HE21 . 17883 1 433 . 1 1 53 53 GLN HE22 H 1 7.181 0.005 . 2 . . . A 165 GLN HE22 . 17883 1 434 . 1 1 53 53 GLN CA C 13 58.276 0.035 . 1 . . . A 165 GLN CA . 17883 1 435 . 1 1 53 53 GLN CB C 13 25.647 0.034 . 1 . . . A 165 GLN CB . 17883 1 436 . 1 1 53 53 GLN CG C 13 34.171 0.053 . 1 . . . A 165 GLN CG . 17883 1 437 . 1 1 53 53 GLN N N 15 116.100 0.022 . 1 . . . A 165 GLN N . 17883 1 438 . 1 1 53 53 GLN NE2 N 15 113.322 0.020 . 1 . . . A 165 GLN NE2 . 17883 1 439 . 1 1 54 54 SER H H 1 8.174 0.005 . 1 . . . A 166 SER H . 17883 1 440 . 1 1 54 54 SER HA H 1 4.369 0.004 . 1 . . . A 166 SER HA . 17883 1 441 . 1 1 54 54 SER HB2 H 1 4.134 0.004 . 2 . . . A 166 SER HB2 . 17883 1 442 . 1 1 54 54 SER HB3 H 1 2.779 0.006 . 2 . . . A 166 SER HB3 . 17883 1 443 . 1 1 54 54 SER CA C 13 58.842 0.023 . 1 . . . A 166 SER CA . 17883 1 444 . 1 1 54 54 SER CB C 13 64.983 0.014 . 1 . . . A 166 SER CB . 17883 1 445 . 1 1 54 54 SER N N 15 115.531 0.015 . 1 . . . A 166 SER N . 17883 1 446 . 1 1 55 55 ILE H H 1 8.180 0.009 . 1 . . . A 167 ILE H . 17883 1 447 . 1 1 55 55 ILE HA H 1 4.648 0.004 . 1 . . . A 167 ILE HA . 17883 1 448 . 1 1 55 55 ILE HB H 1 2.098 0.005 . 1 . . . A 167 ILE HB . 17883 1 449 . 1 1 55 55 ILE HG12 H 1 1.256 0.006 . 1 . . . A 167 ILE HG12 . 17883 1 450 . 1 1 55 55 ILE HG13 H 1 1.256 0.006 . 1 . . . A 167 ILE HG13 . 17883 1 451 . 1 1 55 55 ILE HG21 H 1 0.928 0.005 . 1 . . . A 167 ILE HG21 . 17883 1 452 . 1 1 55 55 ILE HG22 H 1 0.928 0.005 . 1 . . . A 167 ILE HG22 . 17883 1 453 . 1 1 55 55 ILE HG23 H 1 0.928 0.005 . 1 . . . A 167 ILE HG23 . 17883 1 454 . 1 1 55 55 ILE HD11 H 1 0.850 0.005 . 1 . . . A 167 ILE HD11 . 17883 1 455 . 1 1 55 55 ILE HD12 H 1 0.850 0.005 . 1 . . . A 167 ILE HD12 . 17883 1 456 . 1 1 55 55 ILE HD13 H 1 0.850 0.005 . 1 . . . A 167 ILE HD13 . 17883 1 457 . 1 1 55 55 ILE CA C 13 61.699 0.035 . 1 . . . A 167 ILE CA . 17883 1 458 . 1 1 55 55 ILE CB C 13 38.855 0.047 . 1 . . . A 167 ILE CB . 17883 1 459 . 1 1 55 55 ILE CG1 C 13 26.518 0.007 . 1 . . . A 167 ILE CG1 . 17883 1 460 . 1 1 55 55 ILE CG2 C 13 18.355 0.017 . 1 . . . A 167 ILE CG2 . 17883 1 461 . 1 1 55 55 ILE CD1 C 13 14.452 0.025 . 1 . . . A 167 ILE CD1 . 17883 1 462 . 1 1 55 55 ILE N N 15 119.139 0.016 . 1 . . . A 167 ILE N . 17883 1 463 . 1 1 56 56 SER H H 1 8.578 0.010 . 1 . . . A 168 SER H . 17883 1 464 . 1 1 56 56 SER HA H 1 4.378 0.007 . 1 . . . A 168 SER HA . 17883 1 465 . 1 1 56 56 SER HB2 H 1 3.933 0.004 . 2 . . . A 168 SER HB2 . 17883 1 466 . 1 1 56 56 SER HB3 H 1 3.907 0.011 . 2 . . . A 168 SER HB3 . 17883 1 467 . 1 1 56 56 SER CA C 13 59.220 0.014 . 1 . . . A 168 SER CA . 17883 1 468 . 1 1 56 56 SER CB C 13 64.575 0.015 . 1 . . . A 168 SER CB . 17883 1 469 . 1 1 56 56 SER N N 15 115.414 0.033 . 1 . . . A 168 SER N . 17883 1 470 . 1 1 57 57 HIS H H 1 6.895 0.004 . 1 . . . A 169 HIS H . 17883 1 471 . 1 1 57 57 HIS HA H 1 4.662 0.007 . 1 . . . A 169 HIS HA . 17883 1 472 . 1 1 57 57 HIS HB2 H 1 3.233 0.006 . 2 . . . A 169 HIS HB2 . 17883 1 473 . 1 1 57 57 HIS HB3 H 1 3.167 0.008 . 2 . . . A 169 HIS HB3 . 17883 1 474 . 1 1 57 57 HIS HD1 H 1 12.061 0.015 . 1 . . . A 169 HIS HD1 . 17883 1 475 . 1 1 57 57 HIS HD2 H 1 6.980 0.010 . 1 . . . A 169 HIS HD2 . 17883 1 476 . 1 1 57 57 HIS HE1 H 1 7.837 0.005 . 1 . . . A 169 HIS HE1 . 17883 1 477 . 1 1 57 57 HIS CA C 13 55.945 0.040 . 1 . . . A 169 HIS CA . 17883 1 478 . 1 1 57 57 HIS CB C 13 30.037 0.050 . 1 . . . A 169 HIS CB . 17883 1 479 . 1 1 57 57 HIS CD2 C 13 128.261 0.073 . 1 . . . A 169 HIS CD2 . 17883 1 480 . 1 1 57 57 HIS CE1 C 13 137.882 0.015 . 1 . . . A 169 HIS CE1 . 17883 1 481 . 1 1 57 57 HIS N N 15 113.925 0.014 . 1 . . . A 169 HIS N . 17883 1 482 . 1 1 57 57 HIS ND1 N 15 174.547 0.040 . 1 . . . A 169 HIS ND1 . 17883 1 483 . 1 1 58 58 MET H H 1 8.205 0.005 . 1 . . . A 170 MET H . 17883 1 484 . 1 1 58 58 MET HA H 1 4.628 0.015 . 1 . . . A 170 MET HA . 17883 1 485 . 1 1 58 58 MET HB2 H 1 2.126 0.009 . 2 . . . A 170 MET HB2 . 17883 1 486 . 1 1 58 58 MET HB3 H 1 1.776 0.008 . 2 . . . A 170 MET HB3 . 17883 1 487 . 1 1 58 58 MET HG2 H 1 2.198 0.006 . 2 . . . A 170 MET HG2 . 17883 1 488 . 1 1 58 58 MET HG3 H 1 1.749 0.012 . 2 . . . A 170 MET HG3 . 17883 1 489 . 1 1 58 58 MET HE1 H 1 1.574 0.005 . 1 . . . A 170 MET HE1 . 17883 1 490 . 1 1 58 58 MET HE2 H 1 1.574 0.005 . 1 . . . A 170 MET HE2 . 17883 1 491 . 1 1 58 58 MET HE3 H 1 1.574 0.005 . 1 . . . A 170 MET HE3 . 17883 1 492 . 1 1 58 58 MET CA C 13 53.864 0.039 . 1 . . . A 170 MET CA . 17883 1 493 . 1 1 58 58 MET CB C 13 35.509 0.048 . 1 . . . A 170 MET CB . 17883 1 494 . 1 1 58 58 MET CG C 13 32.992 0.017 . 1 . . . A 170 MET CG . 17883 1 495 . 1 1 58 58 MET CE C 13 17.999 0.035 . 1 . . . A 170 MET CE . 17883 1 496 . 1 1 58 58 MET N N 15 116.287 0.044 . 1 . . . A 170 MET N . 17883 1 497 . 1 1 59 59 VAL H H 1 9.582 0.007 . 1 . . . A 171 VAL H . 17883 1 498 . 1 1 59 59 VAL HA H 1 4.690 0.007 . 1 . . . A 171 VAL HA . 17883 1 499 . 1 1 59 59 VAL HB H 1 2.518 0.009 . 1 . . . A 171 VAL HB . 17883 1 500 . 1 1 59 59 VAL HG11 H 1 1.170 0.005 . 1 . . . A 171 VAL QG1 . 17883 1 501 . 1 1 59 59 VAL HG12 H 1 1.170 0.005 . 1 . . . A 171 VAL QG1 . 17883 1 502 . 1 1 59 59 VAL HG13 H 1 1.170 0.005 . 1 . . . A 171 VAL QG1 . 17883 1 503 . 1 1 59 59 VAL HG21 H 1 1.179 0.004 . 1 . . . A 171 VAL QG2 . 17883 1 504 . 1 1 59 59 VAL HG22 H 1 1.179 0.004 . 1 . . . A 171 VAL QG2 . 17883 1 505 . 1 1 59 59 VAL HG23 H 1 1.179 0.004 . 1 . . . A 171 VAL QG2 . 17883 1 506 . 1 1 59 59 VAL CA C 13 66.011 0.033 . 1 . . . A 171 VAL CA . 17883 1 507 . 1 1 59 59 VAL CB C 13 32.225 0.018 . 1 . . . A 171 VAL CB . 17883 1 508 . 1 1 59 59 VAL CG1 C 13 19.954 0.012 . 1 . . . A 171 VAL CG1 . 17883 1 509 . 1 1 59 59 VAL CG2 C 13 23.455 0.015 . 1 . . . A 171 VAL CG2 . 17883 1 510 . 1 1 59 59 VAL N N 15 121.390 0.040 . 1 . . . A 171 VAL N . 17883 1 511 . 1 1 60 60 ALA H H 1 9.104 0.010 . 1 . . . A 172 ALA H . 17883 1 512 . 1 1 60 60 ALA HA H 1 4.192 0.002 . 1 . . . A 172 ALA HA . 17883 1 513 . 1 1 60 60 ALA HB1 H 1 1.438 0.006 . 1 . . . A 172 ALA QB . 17883 1 514 . 1 1 60 60 ALA HB2 H 1 1.438 0.006 . 1 . . . A 172 ALA QB . 17883 1 515 . 1 1 60 60 ALA HB3 H 1 1.438 0.006 . 1 . . . A 172 ALA QB . 17883 1 516 . 1 1 60 60 ALA CA C 13 54.765 0.044 . 1 . . . A 172 ALA CA . 17883 1 517 . 1 1 60 60 ALA CB C 13 18.619 0.008 . 1 . . . A 172 ALA CB . 17883 1 518 . 1 1 60 60 ALA N N 15 125.175 0.014 . 1 . . . A 172 ALA N . 17883 1 519 . 1 1 61 61 SER H H 1 8.036 0.005 . 1 . . . A 173 SER H . 17883 1 520 . 1 1 61 61 SER HA H 1 4.678 0.007 . 1 . . . A 173 SER HA . 17883 1 521 . 1 1 61 61 SER HB2 H 1 3.977 0.007 . 2 . . . A 173 SER HB2 . 17883 1 522 . 1 1 61 61 SER HB3 H 1 3.769 0.004 . 2 . . . A 173 SER HB3 . 17883 1 523 . 1 1 61 61 SER CA C 13 56.177 0.052 . 1 . . . A 173 SER CA . 17883 1 524 . 1 1 61 61 SER CB C 13 64.001 0.022 . 1 . . . A 173 SER CB . 17883 1 525 . 1 1 61 61 SER N N 15 110.752 0.025 . 1 . . . A 173 SER N . 17883 1 526 . 1 1 62 62 CYS HB2 H 1 3.416 0.007 . 2 . . . A 174 CYS HB2 . 17883 1 527 . 1 1 62 62 CYS HB3 H 1 2.915 0.006 . 2 . . . A 174 CYS HB3 . 17883 1 528 . 1 1 62 62 CYS CA C 13 57.849 0.026 . 1 . . . A 174 CYS CA . 17883 1 529 . 1 1 62 62 CYS CB C 13 31.223 0.022 . 1 . . . A 174 CYS CB . 17883 1 530 . 1 1 62 62 CYS N N 15 125.853 0.052 . 1 . . . A 174 CYS N . 17883 1 531 . 1 1 63 63 PRO HA H 1 4.410 0.007 . 1 . . . A 175 PRO HA . 17883 1 532 . 1 1 63 63 PRO HB2 H 1 2.265 0.008 . 2 . . . A 175 PRO HB2 . 17883 1 533 . 1 1 63 63 PRO HB3 H 1 1.943 0.011 . 2 . . . A 175 PRO HB3 . 17883 1 534 . 1 1 63 63 PRO HG2 H 1 1.921 0.008 . 2 . . . A 175 PRO HG2 . 17883 1 535 . 1 1 63 63 PRO HG3 H 1 1.921 0.008 . 2 . . . A 175 PRO HG3 . 17883 1 536 . 1 1 63 63 PRO HD2 H 1 3.528 0.008 . 2 . . . A 175 PRO HD2 . 17883 1 537 . 1 1 63 63 PRO HD3 H 1 3.294 0.006 . 2 . . . A 175 PRO HD3 . 17883 1 538 . 1 1 63 63 PRO CA C 13 64.116 0.033 . 1 . . . A 175 PRO CA . 17883 1 539 . 1 1 63 63 PRO CB C 13 32.170 0.028 . 1 . . . A 175 PRO CB . 17883 1 540 . 1 1 63 63 PRO CG C 13 26.804 0.010 . 1 . . . A 175 PRO CG . 17883 1 541 . 1 1 63 63 PRO CD C 13 50.516 0.039 . 1 . . . A 175 PRO CD . 17883 1 542 . 1 1 64 64 LEU H H 1 8.448 0.005 . 1 . . . A 176 LEU H . 17883 1 543 . 1 1 64 64 LEU HA H 1 4.293 0.006 . 1 . . . A 176 LEU HA . 17883 1 544 . 1 1 64 64 LEU HB2 H 1 1.958 0.009 . 2 . . . A 176 LEU HB2 . 17883 1 545 . 1 1 64 64 LEU HB3 H 1 1.793 0.008 . 2 . . . A 176 LEU HB3 . 17883 1 546 . 1 1 64 64 LEU HG H 1 1.753 0.008 . 1 . . . A 176 LEU HG . 17883 1 547 . 1 1 64 64 LEU HD11 H 1 1.046 0.008 . 1 . . . A 176 LEU QD1 . 17883 1 548 . 1 1 64 64 LEU HD12 H 1 1.046 0.008 . 1 . . . A 176 LEU QD1 . 17883 1 549 . 1 1 64 64 LEU HD13 H 1 1.046 0.008 . 1 . . . A 176 LEU QD1 . 17883 1 550 . 1 1 64 64 LEU HD21 H 1 0.928 0.007 . 1 . . . A 176 LEU QD2 . 17883 1 551 . 1 1 64 64 LEU HD22 H 1 0.928 0.007 . 1 . . . A 176 LEU QD2 . 17883 1 552 . 1 1 64 64 LEU HD23 H 1 0.928 0.007 . 1 . . . A 176 LEU QD2 . 17883 1 553 . 1 1 64 64 LEU CA C 13 56.651 0.061 . 1 . . . A 176 LEU CA . 17883 1 554 . 1 1 64 64 LEU CB C 13 41.777 0.011 . 1 . . . A 176 LEU CB . 17883 1 555 . 1 1 64 64 LEU CG C 13 27.908 0.016 . 1 . . . A 176 LEU CG . 17883 1 556 . 1 1 64 64 LEU CD1 C 13 25.162 0.044 . 1 . . . A 176 LEU CD1 . 17883 1 557 . 1 1 64 64 LEU CD2 C 13 23.407 0.041 . 1 . . . A 176 LEU CD2 . 17883 1 558 . 1 1 64 64 LEU N N 15 121.682 0.050 . 1 . . . A 176 LEU N . 17883 1 559 . 1 1 65 65 LYS H H 1 7.434 0.006 . 1 . . . A 177 LYS H . 17883 1 560 . 1 1 65 65 LYS HA H 1 3.292 0.005 . 1 . . . A 177 LYS HA . 17883 1 561 . 1 1 65 65 LYS HB2 H 1 1.513 0.007 . 2 . . . A 177 LYS HB2 . 17883 1 562 . 1 1 65 65 LYS HB3 H 1 1.237 0.004 . 2 . . . A 177 LYS HB3 . 17883 1 563 . 1 1 65 65 LYS HG2 H 1 1.067 0.006 . 2 . . . A 177 LYS HG2 . 17883 1 564 . 1 1 65 65 LYS HG3 H 1 0.940 0.004 . 2 . . . A 177 LYS HG3 . 17883 1 565 . 1 1 65 65 LYS HD2 H 1 1.365 0.007 . 2 . . . A 177 LYS HD2 . 17883 1 566 . 1 1 65 65 LYS HD3 H 1 1.365 0.007 . 2 . . . A 177 LYS HD3 . 17883 1 567 . 1 1 65 65 LYS HE2 H 1 2.834 0.008 . 2 . . . A 177 LYS HE2 . 17883 1 568 . 1 1 65 65 LYS HE3 H 1 2.834 0.008 . 2 . . . A 177 LYS HE3 . 17883 1 569 . 1 1 65 65 LYS CA C 13 57.528 0.019 . 1 . . . A 177 LYS CA . 17883 1 570 . 1 1 65 65 LYS CB C 13 32.203 0.025 . 1 . . . A 177 LYS CB . 17883 1 571 . 1 1 65 65 LYS CG C 13 24.282 0.024 . 1 . . . A 177 LYS CG . 17883 1 572 . 1 1 65 65 LYS CD C 13 28.968 0.024 . 1 . . . A 177 LYS CD . 17883 1 573 . 1 1 65 65 LYS CE C 13 42.025 0.010 . 1 . . . A 177 LYS CE . 17883 1 574 . 1 1 65 65 LYS N N 15 121.630 0.015 . 1 . . . A 177 LYS N . 17883 1 575 . 1 1 66 66 ALA H H 1 7.454 0.004 . 1 . . . A 178 ALA H . 17883 1 576 . 1 1 66 66 ALA HA H 1 4.151 0.006 . 1 . . . A 178 ALA HA . 17883 1 577 . 1 1 66 66 ALA HB1 H 1 1.360 0.005 . 1 . . . A 178 ALA QB . 17883 1 578 . 1 1 66 66 ALA HB2 H 1 1.360 0.005 . 1 . . . A 178 ALA QB . 17883 1 579 . 1 1 66 66 ALA HB3 H 1 1.360 0.005 . 1 . . . A 178 ALA QB . 17883 1 580 . 1 1 66 66 ALA CA C 13 53.257 0.033 . 1 . . . A 178 ALA CA . 17883 1 581 . 1 1 66 66 ALA CB C 13 18.722 0.025 . 1 . . . A 178 ALA CB . 17883 1 582 . 1 1 66 66 ALA N N 15 121.311 0.035 . 1 . . . A 178 ALA N . 17883 1 583 . 1 1 67 67 GLN H H 1 7.724 0.003 . 1 . . . A 179 GLN H . 17883 1 584 . 1 1 67 67 GLN HA H 1 4.260 0.004 . 1 . . . A 179 GLN HA . 17883 1 585 . 1 1 67 67 GLN HB2 H 1 2.179 0.002 . 2 . . . A 179 GLN HB2 . 17883 1 586 . 1 1 67 67 GLN HB3 H 1 2.044 0.003 . 2 . . . A 179 GLN HB3 . 17883 1 587 . 1 1 67 67 GLN HG2 H 1 2.433 0.008 . 2 . . . A 179 GLN HG2 . 17883 1 588 . 1 1 67 67 GLN HG3 H 1 2.433 0.008 . 2 . . . A 179 GLN HG3 . 17883 1 589 . 1 1 67 67 GLN HE21 H 1 6.809 0.002 . 2 . . . A 179 GLN HE21 . 17883 1 590 . 1 1 67 67 GLN HE22 H 1 7.438 0.005 . 2 . . . A 179 GLN HE22 . 17883 1 591 . 1 1 67 67 GLN CA C 13 56.266 0.008 . 1 . . . A 179 GLN CA . 17883 1 592 . 1 1 67 67 GLN CB C 13 29.347 0.035 . 1 . . . A 179 GLN CB . 17883 1 593 . 1 1 67 67 GLN CG C 13 33.922 0.007 . 1 . . . A 179 GLN CG . 17883 1 594 . 1 1 67 67 GLN N N 15 117.386 0.006 . 1 . . . A 179 GLN N . 17883 1 595 . 1 1 67 67 GLN NE2 N 15 111.880 0.025 . 1 . . . A 179 GLN NE2 . 17883 1 596 . 1 1 68 68 GLN H H 1 7.990 0.003 . 1 . . . A 180 GLN H . 17883 1 597 . 1 1 68 68 GLN HA H 1 4.336 0.003 . 1 . . . A 180 GLN HA . 17883 1 598 . 1 1 68 68 GLN HB2 H 1 2.166 0.007 . 2 . . . A 180 GLN HB2 . 17883 1 599 . 1 1 68 68 GLN HB3 H 1 1.998 0.004 . 2 . . . A 180 GLN HB3 . 17883 1 600 . 1 1 68 68 GLN HG2 H 1 2.397 0.003 . 2 . . . A 180 GLN HG2 . 17883 1 601 . 1 1 68 68 GLN HG3 H 1 2.397 0.003 . 2 . . . A 180 GLN HG3 . 17883 1 602 . 1 1 68 68 GLN HE21 H 1 6.873 0.002 . 2 . . . A 180 GLN HE21 . 17883 1 603 . 1 1 68 68 GLN HE22 H 1 7.485 0.001 . 2 . . . A 180 GLN HE22 . 17883 1 604 . 1 1 68 68 GLN CA C 13 56.104 0.021 . 1 . . . A 180 GLN CA . 17883 1 605 . 1 1 68 68 GLN CB C 13 29.695 0.024 . 1 . . . A 180 GLN CB . 17883 1 606 . 1 1 68 68 GLN CG C 13 33.971 0.020 . 1 . . . A 180 GLN CG . 17883 1 607 . 1 1 68 68 GLN N N 15 119.845 0.003 . 1 . . . A 180 GLN N . 17883 1 608 . 1 1 68 68 GLN NE2 N 15 112.241 0.002 . 1 . . . A 180 GLN NE2 . 17883 1 609 . 1 1 69 69 GLY H H 1 8.140 0.002 . 1 . . . A 181 GLY H . 17883 1 610 . 1 1 69 69 GLY HA2 H 1 4.124 0.009 . 2 . . . A 181 GLY HA2 . 17883 1 611 . 1 1 69 69 GLY HA3 H 1 4.098 0.011 . 2 . . . A 181 GLY HA3 . 17883 1 612 . 1 1 69 69 GLY CA C 13 44.760 0.013 . 1 . . . A 181 GLY CA . 17883 1 613 . 1 1 69 69 GLY N N 15 109.618 0.025 . 1 . . . A 181 GLY N . 17883 1 614 . 1 1 70 70 PRO HA H 1 4.447 0.005 . 1 . . . A 182 PRO HA . 17883 1 615 . 1 1 70 70 PRO HB2 H 1 2.293 0.003 . 2 . . . A 182 PRO HB2 . 17883 1 616 . 1 1 70 70 PRO HB3 H 1 2.268 0.000 . 2 . . . A 182 PRO HB3 . 17883 1 617 . 1 1 70 70 PRO HG2 H 1 2.021 0.001 . 2 . . . A 182 PRO HG2 . 17883 1 618 . 1 1 70 70 PRO HG3 H 1 2.021 0.001 . 2 . . . A 182 PRO HG3 . 17883 1 619 . 1 1 70 70 PRO HD2 H 1 3.642 0.004 . 2 . . . A 182 PRO HD2 . 17883 1 620 . 1 1 70 70 PRO HD3 H 1 3.642 0.004 . 2 . . . A 182 PRO HD3 . 17883 1 621 . 1 1 70 70 PRO CA C 13 63.400 0.064 . 1 . . . A 182 PRO CA . 17883 1 622 . 1 1 70 70 PRO CB C 13 32.210 0.054 . 1 . . . A 182 PRO CB . 17883 1 623 . 1 1 70 70 PRO CG C 13 27.137 0.073 . 1 . . . A 182 PRO CG . 17883 1 624 . 1 1 70 70 PRO CD C 13 49.914 0.006 . 1 . . . A 182 PRO CD . 17883 1 625 . 1 1 71 71 SER H H 1 8.374 0.003 . 1 . . . A 183 SER H . 17883 1 626 . 1 1 71 71 SER HA H 1 4.451 0.002 . 1 . . . A 183 SER HA . 17883 1 627 . 1 1 71 71 SER HB2 H 1 3.885 0.004 . 2 . . . A 183 SER HB2 . 17883 1 628 . 1 1 71 71 SER HB3 H 1 3.885 0.004 . 2 . . . A 183 SER HB3 . 17883 1 629 . 1 1 71 71 SER CA C 13 58.321 0.022 . 1 . . . A 183 SER CA . 17883 1 630 . 1 1 71 71 SER CB C 13 63.840 0.028 . 1 . . . A 183 SER CB . 17883 1 631 . 1 1 71 71 SER N N 15 115.904 0.007 . 1 . . . A 183 SER N . 17883 1 632 . 1 1 72 72 ALA H H 1 8.264 0.002 . 1 . . . A 184 ALA H . 17883 1 633 . 1 1 72 72 ALA HA H 1 4.342 0.001 . 1 . . . A 184 ALA HA . 17883 1 634 . 1 1 72 72 ALA HB1 H 1 1.395 0.005 . 1 . . . A 184 ALA HB1 . 17883 1 635 . 1 1 72 72 ALA HB2 H 1 1.395 0.005 . 1 . . . A 184 ALA HB2 . 17883 1 636 . 1 1 72 72 ALA HB3 H 1 1.395 0.005 . 1 . . . A 184 ALA HB3 . 17883 1 637 . 1 1 72 72 ALA CA C 13 52.672 0.007 . 1 . . . A 184 ALA CA . 17883 1 638 . 1 1 72 72 ALA CB C 13 19.335 0.006 . 1 . . . A 184 ALA CB . 17883 1 639 . 1 1 72 72 ALA N N 15 126.051 0.003 . 1 . . . A 184 ALA N . 17883 1 640 . 1 1 73 73 GLN H H 1 8.239 0.002 . 1 . . . A 185 GLN H . 17883 1 641 . 1 1 73 73 GLN HA H 1 4.348 0.003 . 1 . . . A 185 GLN HA . 17883 1 642 . 1 1 73 73 GLN HB2 H 1 2.158 0.005 . 2 . . . A 185 GLN HB2 . 17883 1 643 . 1 1 73 73 GLN HB3 H 1 1.964 0.004 . 2 . . . A 185 GLN HB3 . 17883 1 644 . 1 1 73 73 GLN HG2 H 1 2.360 0.004 . 2 . . . A 185 GLN HG2 . 17883 1 645 . 1 1 73 73 GLN HG3 H 1 2.360 0.004 . 2 . . . A 185 GLN HG3 . 17883 1 646 . 1 1 73 73 GLN HE21 H 1 6.806 0.000 . 2 . . . A 185 GLN HE21 . 17883 1 647 . 1 1 73 73 GLN HE22 H 1 7.519 0.000 . 2 . . . A 185 GLN HE22 . 17883 1 648 . 1 1 73 73 GLN CA C 13 55.791 0.000 . 1 . . . A 185 GLN CA . 17883 1 649 . 1 1 73 73 GLN CB C 13 29.672 0.032 . 1 . . . A 185 GLN CB . 17883 1 650 . 1 1 73 73 GLN CG C 13 33.941 0.005 . 1 . . . A 185 GLN CG . 17883 1 651 . 1 1 73 73 GLN N N 15 119.425 0.014 . 1 . . . A 185 GLN N . 17883 1 652 . 1 1 73 73 GLN NE2 N 15 112.564 0.001 . 1 . . . A 185 GLN NE2 . 17883 1 653 . 1 1 74 74 GLY H H 1 7.963 0.002 . 1 . . . A 186 GLY H . 17883 1 654 . 1 1 74 74 GLY HA2 H 1 3.763 0.001 . 2 . . . A 186 GLY HA2 . 17883 1 655 . 1 1 74 74 GLY HA3 H 1 3.763 0.001 . 2 . . . A 186 GLY HA3 . 17883 1 656 . 1 1 74 74 GLY CA C 13 46.232 0.018 . 1 . . . A 186 GLY CA . 17883 1 657 . 1 1 74 74 GLY N N 15 116.415 0.002 . 1 . . . A 186 GLY N . 17883 1 658 . 2 2 1 1 A H1' H 1 6.024 0.002 . 1 . . . B 1 A H1' . 17883 1 659 . 2 2 1 1 A H2 H 1 8.096 0.000 . 1 . . . B 1 A H2 . 17883 1 660 . 2 2 1 1 A H2' H 1 4.619 0.004 . 1 . . . B 1 A H2' . 17883 1 661 . 2 2 1 1 A H3' H 1 4.750 0.008 . 1 . . . B 1 A H3' . 17883 1 662 . 2 2 1 1 A H4' H 1 4.429 0.001 . 1 . . . B 1 A H4' . 17883 1 663 . 2 2 1 1 A H5' H 1 3.798 0.003 . 1 . . . B 1 A H5' . 17883 1 664 . 2 2 1 1 A H8 H 1 8.277 0.001 . 1 . . . B 1 A H8 . 17883 1 665 . 2 2 2 2 G H1' H 1 5.583 0.003 . 1 . . . B 2 G H1' . 17883 1 666 . 2 2 2 2 G H2' H 1 4.635 0.005 . 1 . . . B 2 G H2' . 17883 1 667 . 2 2 2 2 G H3' H 1 4.721 0.013 . 1 . . . B 2 G H3' . 17883 1 668 . 2 2 2 2 G H8 H 1 8.098 0.001 . 1 . . . B 2 G H8 . 17883 1 669 . 2 2 3 3 G H1' H 1 5.775 0.003 . 1 . . . B 3 G H1' . 17883 1 670 . 2 2 3 3 G H2' H 1 4.843 0.002 . 1 . . . B 3 G H2' . 17883 1 671 . 2 2 3 3 G H3' H 1 4.270 0.017 . 1 . . . B 3 G H3' . 17883 1 672 . 2 2 3 3 G H4' H 1 4.170 0.008 . 1 . . . B 3 G H4' . 17883 1 673 . 2 2 3 3 G H5' H 1 3.939 0.009 . 2 . . . B 3 G H5' . 17883 1 674 . 2 2 3 3 G H5'' H 1 3.882 0.007 . 2 . . . B 3 G H5'' . 17883 1 675 . 2 2 3 3 G H8 H 1 7.934 0.001 . 1 . . . B 3 G H8 . 17883 1 676 . 2 2 4 4 A H1' H 1 6.130 0.004 . 1 . . . B 4 A H1' . 17883 1 677 . 2 2 4 4 A H2 H 1 8.248 0.000 . 1 . . . B 4 A H2 . 17883 1 678 . 2 2 4 4 A H2' H 1 4.770 0.002 . 1 . . . B 4 A H2' . 17883 1 679 . 2 2 4 4 A H3' H 1 4.947 0.002 . 1 . . . B 4 A H3' . 17883 1 680 . 2 2 4 4 A H4' H 1 4.568 0.000 . 1 . . . B 4 A H4' . 17883 1 681 . 2 2 4 4 A H5' H 1 4.190 0.005 . 2 . . . B 4 A H5' . 17883 1 682 . 2 2 4 4 A H8 H 1 8.473 0.002 . 1 . . . B 4 A H8 . 17883 1 683 . 2 2 5 5 G H1' H 1 5.843 0.003 . 1 . . . B 5 G H1' . 17883 1 684 . 2 2 5 5 G H2' H 1 4.850 0.001 . 1 . . . B 5 G H2' . 17883 1 685 . 2 2 5 5 G H3' H 1 4.741 0.004 . 1 . . . B 5 G H3' . 17883 1 686 . 2 2 5 5 G H4' H 1 4.444 0.003 . 1 . . . B 5 G H4' . 17883 1 687 . 2 2 5 5 G H5' H 1 4.181 0.001 . 2 . . . B 5 G H5' . 17883 1 688 . 2 2 5 5 G H5'' H 1 4.091 0.003 . 2 . . . B 5 G H5'' . 17883 1 689 . 2 2 5 5 G H8 H 1 8.253 0.002 . 1 . . . B 5 G H8 . 17883 1 690 . 2 2 6 6 A H1' H 1 6.099 0.003 . 1 . . . B 6 A H1' . 17883 1 691 . 2 2 6 6 A H2 H 1 8.163 0.001 . 1 . . . B 6 A H2 . 17883 1 692 . 2 2 6 6 A H2' H 1 4.923 0.002 . 1 . . . B 6 A H2' . 17883 1 693 . 2 2 6 6 A H3' H 1 4.831 0.002 . 1 . . . B 6 A H3' . 17883 1 694 . 2 2 6 6 A H4' H 1 4.578 0.003 . 1 . . . B 6 A H4' . 17883 1 695 . 2 2 6 6 A H5' H 1 4.304 0.007 . 2 . . . B 6 A H5' . 17883 1 696 . 2 2 6 6 A H5'' H 1 4.274 0.006 . 2 . . . B 6 A H5'' . 17883 1 697 . 2 2 6 6 A H8 H 1 8.428 0.002 . 1 . . . B 6 A H8 . 17883 1 698 . 2 2 7 7 U H1' H 1 5.842 0.001 . 1 . . . B 7 U H1' . 17883 1 699 . 2 2 7 7 U H2' H 1 4.271 0.004 . 1 . . . B 7 U H2' . 17883 1 700 . 2 2 7 7 U H3' H 1 4.291 0.003 . 1 . . . B 7 U H3' . 17883 1 701 . 2 2 7 7 U H4' H 1 4.254 0.003 . 1 . . . B 7 U H4' . 17883 1 702 . 2 2 7 7 U H5 H 1 5.705 0.002 . 1 . . . B 7 U H5 . 17883 1 703 . 2 2 7 7 U H5' H 1 4.297 0.000 . 2 . . . B 7 U H5' . 17883 1 704 . 2 2 7 7 U H5'' H 1 4.163 0.004 . 2 . . . B 7 U H5'' . 17883 1 705 . 2 2 7 7 U H6 H 1 7.766 0.001 . 1 . . . B 7 U H6 . 17883 1 stop_ save_