data_4248 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4248 _Entry.Title ; LEF1 HMG Domain (From Mouse), Complexed with DNA (15bp), NMR, 12 Structures ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-10-16 _Entry.Accession_date 1998-10-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 X. Li . . . 4248 2 J. Love . J. . 4248 3 D. Case . A. . 4248 4 P. Wright . E. . 4248 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 4248 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 4248 '15N chemical shifts' 88 4248 '1H chemical shifts' 815 4248 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 . . 2010-07-14 1998-10-16 update BMRB 'update DNA residue label to two-letter code' 4248 1 . . 1999-11-23 1998-10-16 original author 'original release' 4248 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4248 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural basis for DNA bending by the architectural transcription factor LEF-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 376 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 791 _Citation.Page_last . _Citation.Year 1995 _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 J. Love . J. . 4248 1 2 X. Li . . . 4248 1 3 D. Case . A. . 4248 1 4 K. Giese . . . 4248 1 5 R. Grosschedl . . . 4248 1 6 P. Wright . E. . 4248 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_LEF-1(HMG)-DNA _Assembly.Sf_category assembly _Assembly.Sf_framecode LEF-1(HMG)-DNA _Assembly.Entry_ID 4248 _Assembly.ID 1 _Assembly.Name 'Lymphoid enhancer-binding factor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4248 1 stop_ 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 LEF-1(HMG) 1 $LEF-1(HMG) . . . native . . . . . 4248 1 2 DNA_chain_B 2 $DNA_chain_B . . . native . . . . . 4248 1 3 DNA_chain_C 3 $DNA_chain_C . . . native . . . . . 4248 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2lef . . . . . . 4248 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID LEF-1 abbreviation 4248 1 'Lymphoid enhancer-binding factor' system 4248 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcription factor' 4248 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LEF-1(HMG) _Entity.Sf_category entity _Entity.Sf_framecode LEF-1(HMG) _Entity.Entry_ID 4248 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Lymphoid enhancer-binding factor' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHIKKPLNAFMLYMKEMRAN VVAESTLKESAAINQILGRR WHALSREEQAKYYELARKER QLHMQLYPGWSARDNYGKKK KRKREK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 2LEF . "Lef1 Hmg Domain (From Mouse), Complexed With Dna (15bp), Nmr, 12 Structures" . . . . . 100.00 86 100.00 100.00 2.85e-54 . . . . 4248 1 2 no DBJ BAA03954 . "LEF-1S [Mus musculus]" . . . . . 98.84 284 98.82 98.82 1.46e-52 . . . . 4248 1 3 no DBJ BAC25837 . "unnamed protein product [Mus musculus]" . . . . . 98.84 384 98.82 98.82 1.09e-51 . . . . 4248 1 4 no DBJ BAC28841 . "unnamed protein product [Mus musculus]" . . . . . 98.84 384 98.82 98.82 1.09e-51 . . . . 4248 1 5 no DBJ BAC38867 . "unnamed protein product [Mus musculus]" . . . . . 98.84 331 98.82 98.82 3.95e-52 . . . . 4248 1 6 no DBJ BAD74116 . "lymphoid enhancer binding protein 1 (LEF-1) homologue [Pelodiscus sinensis]" . . . . . 98.84 398 98.82 98.82 1.46e-51 . . . . 4248 1 7 no EMBL CAA41493 . "lymphoid enhancer factor 1 [Mus musculus]" . . . . . 98.84 397 98.82 98.82 1.28e-51 . . . . 4248 1 8 no EMBL CAH56421 . "hypothetical protein [Homo sapiens]" . . . . . 60.47 69 100.00 100.00 6.04e-28 . . . . 4248 1 9 no GB AAC24524 . "transcription factor LEF-1 [Gallus gallus]" . . . . . 98.84 369 98.82 98.82 1.11e-51 . . . . 4248 1 10 no GB AAD16968 . "HMG-box transcription factor TCF4E [Mus musculus]" . . . . . 83.72 308 97.22 97.22 1.36e-42 . . . . 4248 1 11 no GB AAD41489 . "lymphocyte enhancer binding factor 1 Lef1 [Danio rerio]" . . . . . 98.84 365 98.82 98.82 2.15e-51 . . . . 4248 1 12 no GB AAD41490 . "transcription factor Tcf4 [Danio rerio]" . . . . . 79.07 102 97.06 97.06 2.12e-39 . . . . 4248 1 13 no GB AAF13268 . "lymphoid enhancer binding factor-1 [Homo sapiens]" . . . . . 98.84 399 98.82 98.82 1.64e-51 . . . . 4248 1 14 no PIR B39625 . "T-cell receptor alpha enhancer-binding protein, short form - human" . . . . . 98.84 371 98.82 98.82 1.19e-51 . . . . 4248 1 15 no REF NP_001082124 . "lymphoid enhancer-binding factor 1 [Xenopus laevis]" . . . . . 98.84 372 97.65 98.82 6.54e-51 . . . . 4248 1 16 no REF NP_001083866 . "transcription factor 7-like 2 [Xenopus laevis]" . . . . . 98.84 482 97.65 97.65 1.08e-49 . . . . 4248 1 17 no REF NP_001090203 . "lymphoid enhancer factor XLEF-1B [Xenopus laevis]" . . . . . 98.84 372 98.82 98.82 3.01e-51 . . . . 4248 1 18 no REF NP_001123439 . "lymphoid enhancer-binding factor 1 [Sus scrofa]" . . . . . 98.84 398 98.82 98.82 1.52e-51 . . . . 4248 1 19 no REF NP_001124185 . "lymphoid enhancer-binding factor 1 isoform 2 [Homo sapiens]" . . . . . 98.84 371 98.82 98.82 1.19e-51 . . . . 4248 1 20 no SP P27782 . "RecName: Full=Lymphoid enhancer-binding factor 1; Short=LEF-1" . . . . . 98.84 397 98.82 98.82 1.28e-51 . . . . 4248 1 21 no SP Q9QXN1 . "RecName: Full=Lymphoid enhancer-binding factor 1; Short=LEF-1" . . . . . 98.84 397 98.82 98.82 1.55e-51 . . . . 4248 1 22 no SP Q9UJU2 . "RecName: Full=Lymphoid enhancer-binding factor 1; Short=LEF-1; AltName: Full=T cell-specific transcription factor 1-alpha; Shor" . . . . . 98.84 399 98.82 98.82 1.64e-51 . . . . 4248 1 23 no TPG DAA28899 . "TPA: lymphoid enhancer-binding factor 1 [Bos taurus]" . . . . . 98.84 399 98.82 98.82 1.62e-51 . . . . 4248 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription factor' 4248 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CHAIN A, C25S' variant 4248 1 LEF-1 abbreviation 4248 1 'Lymphoid enhancer-binding factor' common 4248 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 . MET . 4248 1 2 . HIS . 4248 1 3 . ILE . 4248 1 4 . LYS . 4248 1 5 . LYS . 4248 1 6 . PRO . 4248 1 7 . LEU . 4248 1 8 . ASN . 4248 1 9 . ALA . 4248 1 10 . PHE . 4248 1 11 . MET . 4248 1 12 . LEU . 4248 1 13 . TYR . 4248 1 14 . MET . 4248 1 15 . LYS . 4248 1 16 . GLU . 4248 1 17 . MET . 4248 1 18 . ARG . 4248 1 19 . ALA . 4248 1 20 . ASN . 4248 1 21 . VAL . 4248 1 22 . VAL . 4248 1 23 . ALA . 4248 1 24 . GLU . 4248 1 25 . SER . 4248 1 26 . THR . 4248 1 27 . LEU . 4248 1 28 . LYS . 4248 1 29 . GLU . 4248 1 30 . SER . 4248 1 31 . ALA . 4248 1 32 . ALA . 4248 1 33 . ILE . 4248 1 34 . ASN . 4248 1 35 . GLN . 4248 1 36 . ILE . 4248 1 37 . LEU . 4248 1 38 . GLY . 4248 1 39 . ARG . 4248 1 40 . ARG . 4248 1 41 . TRP . 4248 1 42 . HIS . 4248 1 43 . ALA . 4248 1 44 . LEU . 4248 1 45 . SER . 4248 1 46 . ARG . 4248 1 47 . GLU . 4248 1 48 . GLU . 4248 1 49 . GLN . 4248 1 50 . ALA . 4248 1 51 . LYS . 4248 1 52 . TYR . 4248 1 53 . TYR . 4248 1 54 . GLU . 4248 1 55 . LEU . 4248 1 56 . ALA . 4248 1 57 . ARG . 4248 1 58 . LYS . 4248 1 59 . GLU . 4248 1 60 . ARG . 4248 1 61 . GLN . 4248 1 62 . LEU . 4248 1 63 . HIS . 4248 1 64 . MET . 4248 1 65 . GLN . 4248 1 66 . LEU . 4248 1 67 . TYR . 4248 1 68 . PRO . 4248 1 69 . GLY . 4248 1 70 . TRP . 4248 1 71 . SER . 4248 1 72 . ALA . 4248 1 73 . ARG . 4248 1 74 . ASP . 4248 1 75 . ASN . 4248 1 76 . TYR . 4248 1 77 . GLY . 4248 1 78 . LYS . 4248 1 79 . LYS . 4248 1 80 . LYS . 4248 1 81 . LYS . 4248 1 82 . ARG . 4248 1 83 . LYS . 4248 1 84 . ARG . 4248 1 85 . GLU . 4248 1 86 . LYS . 4248 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4248 1 . HIS 2 2 4248 1 . ILE 3 3 4248 1 . LYS 4 4 4248 1 . LYS 5 5 4248 1 . PRO 6 6 4248 1 . LEU 7 7 4248 1 . ASN 8 8 4248 1 . ALA 9 9 4248 1 . PHE 10 10 4248 1 . MET 11 11 4248 1 . LEU 12 12 4248 1 . TYR 13 13 4248 1 . MET 14 14 4248 1 . LYS 15 15 4248 1 . GLU 16 16 4248 1 . MET 17 17 4248 1 . ARG 18 18 4248 1 . ALA 19 19 4248 1 . ASN 20 20 4248 1 . VAL 21 21 4248 1 . VAL 22 22 4248 1 . ALA 23 23 4248 1 . GLU 24 24 4248 1 . SER 25 25 4248 1 . THR 26 26 4248 1 . LEU 27 27 4248 1 . LYS 28 28 4248 1 . GLU 29 29 4248 1 . SER 30 30 4248 1 . ALA 31 31 4248 1 . ALA 32 32 4248 1 . ILE 33 33 4248 1 . ASN 34 34 4248 1 . GLN 35 35 4248 1 . ILE 36 36 4248 1 . LEU 37 37 4248 1 . GLY 38 38 4248 1 . ARG 39 39 4248 1 . ARG 40 40 4248 1 . TRP 41 41 4248 1 . HIS 42 42 4248 1 . ALA 43 43 4248 1 . LEU 44 44 4248 1 . SER 45 45 4248 1 . ARG 46 46 4248 1 . GLU 47 47 4248 1 . GLU 48 48 4248 1 . GLN 49 49 4248 1 . ALA 50 50 4248 1 . LYS 51 51 4248 1 . TYR 52 52 4248 1 . TYR 53 53 4248 1 . GLU 54 54 4248 1 . LEU 55 55 4248 1 . ALA 56 56 4248 1 . ARG 57 57 4248 1 . LYS 58 58 4248 1 . GLU 59 59 4248 1 . ARG 60 60 4248 1 . GLN 61 61 4248 1 . LEU 62 62 4248 1 . HIS 63 63 4248 1 . MET 64 64 4248 1 . GLN 65 65 4248 1 . LEU 66 66 4248 1 . TYR 67 67 4248 1 . PRO 68 68 4248 1 . GLY 69 69 4248 1 . TRP 70 70 4248 1 . SER 71 71 4248 1 . ALA 72 72 4248 1 . ARG 73 73 4248 1 . ASP 74 74 4248 1 . ASN 75 75 4248 1 . TYR 76 76 4248 1 . GLY 77 77 4248 1 . LYS 78 78 4248 1 . LYS 79 79 4248 1 . LYS 80 80 4248 1 . LYS 81 81 4248 1 . ARG 82 82 4248 1 . LYS 83 83 4248 1 . ARG 84 84 4248 1 . GLU 85 85 4248 1 . LYS 86 86 4248 1 stop_ save_ save_DNA_chain_B _Entity.Sf_category entity _Entity.Sf_framecode DNA_chain_B _Entity.Entry_ID 4248 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CACCCTTTGAAGCTC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Lymphoid enhancer element' 4248 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DNA common 4248 2 DNA_chain_B abbreviation 4248 2 'DNA Top Strand, Chain B' variant 4248 2 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 . DC . 4248 2 2 . DA . 4248 2 3 . DC . 4248 2 4 . DC . 4248 2 5 . DC . 4248 2 6 . DT . 4248 2 7 . DT . 4248 2 8 . DT . 4248 2 9 . DG . 4248 2 10 . DA . 4248 2 11 . DA . 4248 2 12 . DG . 4248 2 13 . DC . 4248 2 14 . DT . 4248 2 15 . DC . 4248 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 . DC 1 1 4248 2 . DA 2 2 4248 2 . DC 3 3 4248 2 . DC 4 4 4248 2 . DC 5 5 4248 2 . DT 6 6 4248 2 . DT 7 7 4248 2 . DT 8 8 4248 2 . DG 9 9 4248 2 . DA 10 10 4248 2 . DA 11 11 4248 2 . DG 12 12 4248 2 . DC 13 13 4248 2 . DT 14 14 4248 2 . DC 15 15 4248 2 stop_ save_ save_DNA_chain_C _Entity.Sf_category entity _Entity.Sf_framecode DNA_chain_C _Entity.Entry_ID 4248 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GAGCTTCAAAGGGTG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Lymphoid enhancer element' 4248 3 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DNA common 4248 3 'DNA Bottom Strand, Chain C' variant 4248 3 DNA_chain_C abbreviation 4248 3 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 . DG . 4248 3 2 . DA . 4248 3 3 . DG . 4248 3 4 . DC . 4248 3 5 . DT . 4248 3 6 . DT . 4248 3 7 . DC . 4248 3 8 . DA . 4248 3 9 . DA . 4248 3 10 . DA . 4248 3 11 . DG . 4248 3 12 . DG . 4248 3 13 . DG . 4248 3 14 . DT . 4248 3 15 . DG . 4248 3 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 . DG 1 1 4248 3 . DA 2 2 4248 3 . DG 3 3 4248 3 . DC 4 4 4248 3 . DT 5 5 4248 3 . DT 6 6 4248 3 . DC 7 7 4248 3 . DA 8 8 4248 3 . DA 9 9 4248 3 . DA 10 10 4248 3 . DG 11 11 4248 3 . DG 12 12 4248 3 . DG 13 13 4248 3 . DT 14 14 4248 3 . DG 15 15 4248 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 4248 _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 $LEF-1(HMG) . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . 'PRE-B AND T LYMPHOCYTE' . . . . . . . . . . . . . . . . 4248 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 4248 _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 $LEF-1(HMG) . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 4248 1 2 2 $DNA_chain_B . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4248 1 3 3 $DNA_chain_C . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4248 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4248 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Lymphoid enhancer-binding factor' '[U-95% 13C; U-95% 15N]' 1 $LEF-1(HMG)-DNA . . . . 1.2 1.0 1.8 mM . . . . 4248 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4248 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 0.002 M 4248 1 pH 6.7 0.2 n/a 4248 1 pressure 1 . atm 4248 1 temperature 303 1 K 4248 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4248 _Software.ID 1 _Software.Name FELIX _Software.Version 2.30 _Software.Details . save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4248 _Software.ID 2 _Software.Name DIANA _Software.Version 2.80 _Software.Details . save_ save_software_three _Software.Sf_category software _Software.Sf_framecode software_three _Software.Entry_ID 4248 _Software.ID 3 _Software.Name AMBER _Software.Version 4.10 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4248 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4248 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4248 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4248 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker AMX . 500 . . . 4248 1 2 NMR_spectrometer_two Bruker AMX . 600 . . . 4248 1 3 NMR_spectrometer_three Bruker DMX . 750 . . . 4248 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 4248 _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 CT-HNCA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 2 CBCA(CO)NH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 3 HNCACB . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 4 C(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 5 HCCH-COSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 6 HCCH-TOCSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 7 '(15N)3D NOESY-HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 8 '(13C)3D NOESY-HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 9 '(13C/13C)4D HMQC-NOESY-HMQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 10 '2D 13C/15N DOUBLE HALF-FILTERED NOESY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 11 '3D 13C-SELECTED(W1,W2) 12C-FILTERED (W3) NOESY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 12 '2D 1H NOESY, AROMATIC 13C CT-HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 13 HNCA-J . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 14 HNHA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 15 HNHB . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 16 HACAHB-COSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 17 HMBC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 18 '3D LRCC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4248 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name CT-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '(15N)3D NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '(13C)3D NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '(13C/13C)4D HMQC-NOESY-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D 13C/15N DOUBLE HALF-FILTERED NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 13C-SELECTED(W1,W2) 12C-FILTERED (W3) NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D 1H NOESY, AROMATIC 13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNCA-J _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HACAHB-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name HMBC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 4248 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '3D LRCC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4248 _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 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4248 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4248 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4248 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4248 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4248 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 52.89 . . 1 . . . . . . . . 4248 1 2 . 1 1 1 1 MET HA H 1 4.15 . . 1 . . . . . . . . 4248 1 3 . 1 1 1 1 MET CB C 13 31.04 . . 1 . . . . . . . . 4248 1 4 . 1 1 1 1 MET HB2 H 1 2.62 . . 2 . . . . . . . . 4248 1 5 . 1 1 1 1 MET CG C 13 28.72 . . 1 . . . . . . . . 4248 1 6 . 1 1 1 1 MET HG2 H 1 2.22 . . 2 . . . . . . . . 4248 1 7 . 1 1 1 1 MET CE C 13 14.85 . . 1 . . . . . . . . 4248 1 8 . 1 1 1 1 MET HE1 H 1 2.20 . . 1 . . . . . . . . 4248 1 9 . 1 1 1 1 MET HE2 H 1 2.20 . . 1 . . . . . . . . 4248 1 10 . 1 1 1 1 MET HE3 H 1 2.20 . . 1 . . . . . . . . 4248 1 11 . 1 1 2 2 HIS CA C 13 53.55 . . 1 . . . . . . . . 4248 1 12 . 1 1 2 2 HIS HA H 1 4.83 . . 1 . . . . . . . . 4248 1 13 . 1 1 2 2 HIS CB C 13 28.30 . . 1 . . . . . . . . 4248 1 14 . 1 1 2 2 HIS HB2 H 1 3.24 . . 1 . . . . . . . . 4248 1 15 . 1 1 2 2 HIS HB3 H 1 3.11 . . 1 . . . . . . . . 4248 1 16 . 1 1 2 2 HIS HD2 H 1 6.98 . . 1 . . . . . . . . 4248 1 17 . 1 1 2 2 HIS CD2 C 13 116.13 . . 1 . . . . . . . . 4248 1 18 . 1 1 2 2 HIS HE1 H 1 8.27 . . 1 . . . . . . . . 4248 1 19 . 1 1 2 2 HIS CE1 C 13 135.37 . . 1 . . . . . . . . 4248 1 20 . 1 1 3 3 ILE N N 15 129.44 . . 1 . . . . . . . . 4248 1 21 . 1 1 3 3 ILE H H 1 9.01 . . 1 . . . . . . . . 4248 1 22 . 1 1 3 3 ILE CA C 13 57.97 . . 1 . . . . . . . . 4248 1 23 . 1 1 3 3 ILE HA H 1 3.89 . . 1 . . . . . . . . 4248 1 24 . 1 1 3 3 ILE CB C 13 35.52 . . 1 . . . . . . . . 4248 1 25 . 1 1 3 3 ILE HB H 1 1.72 . . 1 . . . . . . . . 4248 1 26 . 1 1 3 3 ILE CG1 C 13 24.56 . . 1 . . . . . . . . 4248 1 27 . 1 1 3 3 ILE HG12 H 1 1.31 . . 2 . . . . . . . . 4248 1 28 . 1 1 3 3 ILE HG13 H 1 0.71 . . 2 . . . . . . . . 4248 1 29 . 1 1 3 3 ILE CG2 C 13 13.90 . . 1 . . . . . . . . 4248 1 30 . 1 1 3 3 ILE HG21 H 1 -0.25 . . 1 . . . . . . . . 4248 1 31 . 1 1 3 3 ILE HG22 H 1 -0.25 . . 1 . . . . . . . . 4248 1 32 . 1 1 3 3 ILE HG23 H 1 -0.25 . . 1 . . . . . . . . 4248 1 33 . 1 1 3 3 ILE CD1 C 13 11.0 . . 1 . . . . . . . . 4248 1 34 . 1 1 3 3 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4248 1 35 . 1 1 3 3 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4248 1 36 . 1 1 3 3 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4248 1 37 . 1 1 4 4 LYS N N 15 127.86 . . 1 . . . . . . . . 4248 1 38 . 1 1 4 4 LYS H H 1 8.16 . . 1 . . . . . . . . 4248 1 39 . 1 1 4 4 LYS CA C 13 54.22 . . 1 . . . . . . . . 4248 1 40 . 1 1 4 4 LYS HA H 1 4.19 . . 1 . . . . . . . . 4248 1 41 . 1 1 4 4 LYS CB C 13 31.74 . . 1 . . . . . . . . 4248 1 42 . 1 1 4 4 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 4248 1 43 . 1 1 4 4 LYS CG C 13 22.13 . . 1 . . . . . . . . 4248 1 44 . 1 1 4 4 LYS HG2 H 1 1.53 . . 2 . . . . . . . . 4248 1 45 . 1 1 4 4 LYS HG3 H 1 1.49 . . 2 . . . . . . . . 4248 1 46 . 1 1 4 4 LYS CD C 13 27.10 . . 1 . . . . . . . . 4248 1 47 . 1 1 4 4 LYS HD2 H 1 1.91 . . 2 . . . . . . . . 4248 1 48 . 1 1 4 4 LYS HD3 H 1 1.76 . . 2 . . . . . . . . 4248 1 49 . 1 1 4 4 LYS CE C 13 39.86 . . 1 . . . . . . . . 4248 1 50 . 1 1 4 4 LYS HE2 H 1 3.07 . . 2 . . . . . . . . 4248 1 51 . 1 1 5 5 LYS N N 15 120.01 . . 1 . . . . . . . . 4248 1 52 . 1 1 5 5 LYS H H 1 7.47 . . 1 . . . . . . . . 4248 1 53 . 1 1 5 5 LYS CA C 13 51.63 . . 1 . . . . . . . . 4248 1 54 . 1 1 5 5 LYS HA H 1 3.73 . . 1 . . . . . . . . 4248 1 55 . 1 1 5 5 LYS CB C 13 26.99 . . 1 . . . . . . . . 4248 1 56 . 1 1 5 5 LYS HB2 H 1 1.69 . . 2 . . . . . . . . 4248 1 57 . 1 1 5 5 LYS HB3 H 1 1.61 . . 2 . . . . . . . . 4248 1 58 . 1 1 5 5 LYS CG C 13 19.30 . . 1 . . . . . . . . 4248 1 59 . 1 1 5 5 LYS HG2 H 1 1.86 . . 2 . . . . . . . . 4248 1 60 . 1 1 5 5 LYS HG3 H 1 1.44 . . 2 . . . . . . . . 4248 1 61 . 1 1 5 5 LYS CD C 13 23.75 . . 1 . . . . . . . . 4248 1 62 . 1 1 5 5 LYS HD2 H 1 1.54 . . 2 . . . . . . . . 4248 1 63 . 1 1 5 5 LYS HD3 H 1 1.41 . . 2 . . . . . . . . 4248 1 64 . 1 1 5 5 LYS CE C 13 38.7 . . 1 . . . . . . . . 4248 1 65 . 1 1 5 5 LYS HE2 H 1 3.18 . . 2 . . . . . . . . 4248 1 66 . 1 1 6 6 PRO CA C 13 59.24 . . 1 . . . . . . . . 4248 1 67 . 1 1 6 6 PRO HA H 1 4.38 . . 1 . . . . . . . . 4248 1 68 . 1 1 6 6 PRO CB C 13 28.56 . . 1 . . . . . . . . 4248 1 69 . 1 1 6 6 PRO HB2 H 1 2.01 . . 2 . . . . . . . . 4248 1 70 . 1 1 6 6 PRO HB3 H 1 1.71 . . 2 . . . . . . . . 4248 1 71 . 1 1 6 6 PRO CG C 13 24.58 . . 1 . . . . . . . . 4248 1 72 . 1 1 6 6 PRO HG2 H 1 1.68 . . 2 . . . . . . . . 4248 1 73 . 1 1 6 6 PRO HG3 H 1 1.23 . . 2 . . . . . . . . 4248 1 74 . 1 1 7 7 LEU N N 15 121.68 . . 1 . . . . . . . . 4248 1 75 . 1 1 7 7 LEU H H 1 8.45 . . 1 . . . . . . . . 4248 1 76 . 1 1 7 7 LEU CA C 13 52.86 . . 1 . . . . . . . . 4248 1 77 . 1 1 7 7 LEU HA H 1 4.22 . . 1 . . . . . . . . 4248 1 78 . 1 1 7 7 LEU CB C 13 39.06 . . 1 . . . . . . . . 4248 1 79 . 1 1 7 7 LEU HB2 H 1 1.62 . . 1 . . . . . . . . 4248 1 80 . 1 1 7 7 LEU HB3 H 1 1.09 . . 1 . . . . . . . . 4248 1 81 . 1 1 7 7 LEU CG C 13 25.37 . . 1 . . . . . . . . 4248 1 82 . 1 1 7 7 LEU HG H 1 1.72 . . 1 . . . . . . . . 4248 1 83 . 1 1 7 7 LEU CD1 C 13 22.36 . . 2 . . . . . . . . 4248 1 84 . 1 1 7 7 LEU HD11 H 1 0.77 . . 2 . . . . . . . . 4248 1 85 . 1 1 7 7 LEU HD12 H 1 0.77 . . 2 . . . . . . . . 4248 1 86 . 1 1 7 7 LEU HD13 H 1 0.77 . . 2 . . . . . . . . 4248 1 87 . 1 1 7 7 LEU CD2 C 13 21.20 . . 2 . . . . . . . . 4248 1 88 . 1 1 7 7 LEU HD21 H 1 0.64 . . 2 . . . . . . . . 4248 1 89 . 1 1 7 7 LEU HD22 H 1 0.64 . . 2 . . . . . . . . 4248 1 90 . 1 1 7 7 LEU HD23 H 1 0.64 . . 2 . . . . . . . . 4248 1 91 . 1 1 8 8 ASN N N 15 117.27 . . 1 . . . . . . . . 4248 1 92 . 1 1 8 8 ASN H H 1 7.65 . . 1 . . . . . . . . 4248 1 93 . 1 1 8 8 ASN CA C 13 48.70 . . 1 . . . . . . . . 4248 1 94 . 1 1 8 8 ASN HA H 1 4.45 . . 1 . . . . . . . . 4248 1 95 . 1 1 8 8 ASN CB C 13 35.49 . . 1 . . . . . . . . 4248 1 96 . 1 1 8 8 ASN HB2 H 1 3.23 . . 2 . . . . . . . . 4248 1 97 . 1 1 9 9 ALA N N 15 115.51 . . 1 . . . . . . . . 4248 1 98 . 1 1 9 9 ALA H H 1 8.39 . . 1 . . . . . . . . 4248 1 99 . 1 1 9 9 ALA CA C 13 53.64 . . 1 . . . . . . . . 4248 1 100 . 1 1 9 9 ALA HA H 1 3.57 . . 1 . . . . . . . . 4248 1 101 . 1 1 9 9 ALA CB C 13 16.98 . . 1 . . . . . . . . 4248 1 102 . 1 1 9 9 ALA HB1 H 1 0.61 . . 1 . . . . . . . . 4248 1 103 . 1 1 9 9 ALA HB2 H 1 0.61 . . 1 . . . . . . . . 4248 1 104 . 1 1 9 9 ALA HB3 H 1 0.61 . . 1 . . . . . . . . 4248 1 105 . 1 1 10 10 PHE N N 15 112.57 . . 1 . . . . . . . . 4248 1 106 . 1 1 10 10 PHE H H 1 6.55 . . 1 . . . . . . . . 4248 1 107 . 1 1 10 10 PHE CA C 13 56.98 . . 1 . . . . . . . . 4248 1 108 . 1 1 10 10 PHE HA H 1 2.74 . . 1 . . . . . . . . 4248 1 109 . 1 1 10 10 PHE CB C 13 35.99 . . 1 . . . . . . . . 4248 1 110 . 1 1 10 10 PHE HB2 H 1 2.22 . . 1 . . . . . . . . 4248 1 111 . 1 1 10 10 PHE HB3 H 1 1.46 . . 1 . . . . . . . . 4248 1 112 . 1 1 10 10 PHE HD1 H 1 6.96 . . 3 . . . . . . . . 4248 1 113 . 1 1 10 10 PHE HE1 H 1 6.39 . . 3 . . . . . . . . 4248 1 114 . 1 1 10 10 PHE CE1 C 13 135.60 . . 3 . . . . . . . . 4248 1 115 . 1 1 10 10 PHE HZ H 1 7.261 . . 1 . . . . . . . . 4248 1 116 . 1 1 11 11 MET N N 15 117.57 . . 1 . . . . . . . . 4248 1 117 . 1 1 11 11 MET H H 1 7.79 . . 1 . . . . . . . . 4248 1 118 . 1 1 11 11 MET CA C 13 54.14 . . 1 . . . . . . . . 4248 1 119 . 1 1 11 11 MET HA H 1 3.45 . . 1 . . . . . . . . 4248 1 120 . 1 1 11 11 MET CB C 13 29.40 . . 1 . . . . . . . . 4248 1 121 . 1 1 11 11 MET HB2 H 1 1.88 . . 1 . . . . . . . . 4248 1 122 . 1 1 11 11 MET HB3 H 1 1.16 . . 1 . . . . . . . . 4248 1 123 . 1 1 11 11 MET CG C 13 30.46 . . 1 . . . . . . . . 4248 1 124 . 1 1 11 11 MET HG2 H 1 2.37 . . 2 . . . . . . . . 4248 1 125 . 1 1 11 11 MET HG3 H 1 1.72 . . 2 . . . . . . . . 4248 1 126 . 1 1 11 11 MET CE C 13 13.30 . . 1 . . . . . . . . 4248 1 127 . 1 1 11 11 MET HE1 H 1 -0.16 . . 1 . . . . . . . . 4248 1 128 . 1 1 11 11 MET HE2 H 1 -0.16 . . 1 . . . . . . . . 4248 1 129 . 1 1 11 11 MET HE3 H 1 -0.16 . . 1 . . . . . . . . 4248 1 130 . 1 1 12 12 LEU N N 15 120.80 . . 1 . . . . . . . . 4248 1 131 . 1 1 12 12 LEU H H 1 8.06 . . 1 . . . . . . . . 4248 1 132 . 1 1 12 12 LEU CA C 13 55.45 . . 1 . . . . . . . . 4248 1 133 . 1 1 12 12 LEU HA H 1 3.90 . . 1 . . . . . . . . 4248 1 134 . 1 1 12 12 LEU CB C 13 39.17 . . 1 . . . . . . . . 4248 1 135 . 1 1 12 12 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 4248 1 136 . 1 1 12 12 LEU HB3 H 1 1.47 . . 1 . . . . . . . . 4248 1 137 . 1 1 12 12 LEU CG C 13 24.15 . . 1 . . . . . . . . 4248 1 138 . 1 1 12 12 LEU HG H 1 1.48 . . 1 . . . . . . . . 4248 1 139 . 1 1 12 12 LEU CD1 C 13 23.43 . . 2 . . . . . . . . 4248 1 140 . 1 1 12 12 LEU HD11 H 1 0.72 . . 2 . . . . . . . . 4248 1 141 . 1 1 12 12 LEU HD12 H 1 0.72 . . 2 . . . . . . . . 4248 1 142 . 1 1 12 12 LEU HD13 H 1 0.72 . . 2 . . . . . . . . 4248 1 143 . 1 1 12 12 LEU CD2 C 13 20.70 . . 2 . . . . . . . . 4248 1 144 . 1 1 12 12 LEU HD21 H 1 0.80 . . 2 . . . . . . . . 4248 1 145 . 1 1 12 12 LEU HD22 H 1 0.80 . . 2 . . . . . . . . 4248 1 146 . 1 1 12 12 LEU HD23 H 1 0.80 . . 2 . . . . . . . . 4248 1 147 . 1 1 13 13 TYR N N 15 124.32 . . 1 . . . . . . . . 4248 1 148 . 1 1 13 13 TYR H H 1 7.50 . . 1 . . . . . . . . 4248 1 149 . 1 1 13 13 TYR CA C 13 59.00 . . 1 . . . . . . . . 4248 1 150 . 1 1 13 13 TYR HA H 1 3.61 . . 1 . . . . . . . . 4248 1 151 . 1 1 13 13 TYR CB C 13 35.04 . . 1 . . . . . . . . 4248 1 152 . 1 1 13 13 TYR HB2 H 1 2.03 . . 1 . . . . . . . . 4248 1 153 . 1 1 13 13 TYR HB3 H 1 2.50 . . 1 . . . . . . . . 4248 1 154 . 1 1 13 13 TYR HD1 H 1 6.40 . . 3 . . . . . . . . 4248 1 155 . 1 1 13 13 TYR CD1 C 13 131.00 . . 3 . . . . . . . . 4248 1 156 . 1 1 13 13 TYR HE1 H 1 6.86 . . 3 . . . . . . . . 4248 1 157 . 1 1 13 13 TYR CE1 C 13 115.95 . . 1 . . . . . . . . 4248 1 158 . 1 1 14 14 MET N N 15 117.57 . . 1 . . . . . . . . 4248 1 159 . 1 1 14 14 MET H H 1 8.03 . . 1 . . . . . . . . 4248 1 160 . 1 1 14 14 MET CA C 13 58.01 . . 1 . . . . . . . . 4248 1 161 . 1 1 14 14 MET HA H 1 3.16 . . 1 . . . . . . . . 4248 1 162 . 1 1 14 14 MET CB C 13 30.84 . . 1 . . . . . . . . 4248 1 163 . 1 1 14 14 MET HB2 H 1 1.56 . . 2 . . . . . . . . 4248 1 164 . 1 1 14 14 MET HB3 H 1 1.53 . . 2 . . . . . . . . 4248 1 165 . 1 1 14 14 MET CG C 13 29.13 . . 1 . . . . . . . . 4248 1 166 . 1 1 14 14 MET HG2 H 1 1.48 . . 2 . . . . . . . . 4248 1 167 . 1 1 14 14 MET HG3 H 1 1.37 . . 2 . . . . . . . . 4248 1 168 . 1 1 14 14 MET CE C 13 15.18 . . 1 . . . . . . . . 4248 1 169 . 1 1 14 14 MET HE1 H 1 1.49 . . 1 . . . . . . . . 4248 1 170 . 1 1 14 14 MET HE2 H 1 1.49 . . 1 . . . . . . . . 4248 1 171 . 1 1 14 14 MET HE3 H 1 1.49 . . 1 . . . . . . . . 4248 1 172 . 1 1 15 15 LYS N N 15 116.68 . . 1 . . . . . . . . 4248 1 173 . 1 1 15 15 LYS H H 1 7.35 . . 1 . . . . . . . . 4248 1 174 . 1 1 15 15 LYS CA C 13 56.62 . . 1 . . . . . . . . 4248 1 175 . 1 1 15 15 LYS HA H 1 3.80 . . 1 . . . . . . . . 4248 1 176 . 1 1 15 15 LYS CB C 13 29.57 . . 1 . . . . . . . . 4248 1 177 . 1 1 15 15 LYS HB2 H 1 1.80 . . 2 . . . . . . . . 4248 1 178 . 1 1 15 15 LYS CG C 13 21.90 . . 1 . . . . . . . . 4248 1 179 . 1 1 15 15 LYS HG2 H 1 1.44 . . 2 . . . . . . . . 4248 1 180 . 1 1 15 15 LYS HG3 H 1 1.33 . . 2 . . . . . . . . 4248 1 181 . 1 1 15 15 LYS CD C 13 26.78 . . 1 . . . . . . . . 4248 1 182 . 1 1 15 15 LYS HD2 H 1 1.53 . . 2 . . . . . . . . 4248 1 183 . 1 1 15 15 LYS CE C 13 39.29 . . 1 . . . . . . . . 4248 1 184 . 1 1 15 15 LYS HE2 H 1 2.88 . . 2 . . . . . . . . 4248 1 185 . 1 1 16 16 GLU N N 15 116.98 . . 1 . . . . . . . . 4248 1 186 . 1 1 16 16 GLU H H 1 7.31 . . 1 . . . . . . . . 4248 1 187 . 1 1 16 16 GLU CA C 13 56.11 . . 1 . . . . . . . . 4248 1 188 . 1 1 16 16 GLU HA H 1 4.10 . . 1 . . . . . . . . 4248 1 189 . 1 1 16 16 GLU CB C 13 27.98 . . 1 . . . . . . . . 4248 1 190 . 1 1 16 16 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 4248 1 191 . 1 1 16 16 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 4248 1 192 . 1 1 16 16 GLU CG C 13 33.79 . . 1 . . . . . . . . 4248 1 193 . 1 1 16 16 GLU HG2 H 1 2.37 . . 2 . . . . . . . . 4248 1 194 . 1 1 16 16 GLU HG3 H 1 2.33 . . 2 . . . . . . . . 4248 1 195 . 1 1 17 17 MET N N 15 114.04 . . 1 . . . . . . . . 4248 1 196 . 1 1 17 17 MET H H 1 7.96 . . 1 . . . . . . . . 4248 1 197 . 1 1 17 17 MET CA C 13 52.00 . . 1 . . . . . . . . 4248 1 198 . 1 1 17 17 MET HA H 1 4.60 . . 1 . . . . . . . . 4248 1 199 . 1 1 17 17 MET CB C 13 30.03 . . 1 . . . . . . . . 4248 1 200 . 1 1 17 17 MET HB2 H 1 1.16 . . 1 . . . . . . . . 4248 1 201 . 1 1 17 17 MET HB3 H 1 1.53 . . 1 . . . . . . . . 4248 1 202 . 1 1 17 17 MET CG C 13 30.36 . . 1 . . . . . . . . 4248 1 203 . 1 1 17 17 MET HG2 H 1 2.08 . . 2 . . . . . . . . 4248 1 204 . 1 1 17 17 MET CE C 13 14.58 . . 1 . . . . . . . . 4248 1 205 . 1 1 17 17 MET HE1 H 1 2.07 . . 1 . . . . . . . . 4248 1 206 . 1 1 17 17 MET HE2 H 1 2.07 . . 1 . . . . . . . . 4248 1 207 . 1 1 17 17 MET HE3 H 1 2.07 . . 1 . . . . . . . . 4248 1 208 . 1 1 18 18 ARG N N 15 121.09 . . 1 . . . . . . . . 4248 1 209 . 1 1 18 18 ARG H H 1 8.38 . . 1 . . . . . . . . 4248 1 210 . 1 1 18 18 ARG CA C 13 59.21 . . 1 . . . . . . . . 4248 1 211 . 1 1 18 18 ARG HA H 1 3.54 . . 1 . . . . . . . . 4248 1 212 . 1 1 18 18 ARG CB C 13 26.77 . . 1 . . . . . . . . 4248 1 213 . 1 1 18 18 ARG HB2 H 1 1.88 . . 1 . . . . . . . . 4248 1 214 . 1 1 18 18 ARG HB3 H 1 1.62 . . 1 . . . . . . . . 4248 1 215 . 1 1 18 18 ARG CG C 13 25.18 . . 1 . . . . . . . . 4248 1 216 . 1 1 18 18 ARG HG2 H 1 1.50 . . 2 . . . . . . . . 4248 1 217 . 1 1 18 18 ARG HG3 H 1 1.31 . . 2 . . . . . . . . 4248 1 218 . 1 1 18 18 ARG CD C 13 40.45 . . 1 . . . . . . . . 4248 1 219 . 1 1 18 18 ARG HD2 H 1 3.18 . . 2 . . . . . . . . 4248 1 220 . 1 1 18 18 ARG HD3 H 1 3.00 . . 2 . . . . . . . . 4248 1 221 . 1 1 19 19 ALA N N 15 118.45 . . 1 . . . . . . . . 4248 1 222 . 1 1 19 19 ALA H H 1 8.49 . . 1 . . . . . . . . 4248 1 223 . 1 1 19 19 ALA CA C 13 52.91 . . 1 . . . . . . . . 4248 1 224 . 1 1 19 19 ALA HA H 1 4.01 . . 1 . . . . . . . . 4248 1 225 . 1 1 19 19 ALA CB C 13 15.46 . . 1 . . . . . . . . 4248 1 226 . 1 1 19 19 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4248 1 227 . 1 1 19 19 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4248 1 228 . 1 1 19 19 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4248 1 229 . 1 1 20 20 ASN N N 15 116.68 . . 1 . . . . . . . . 4248 1 230 . 1 1 20 20 ASN H H 1 7.88 . . 1 . . . . . . . . 4248 1 231 . 1 1 20 20 ASN CA C 13 53.40 . . 1 . . . . . . . . 4248 1 232 . 1 1 20 20 ASN HA H 1 4.47 . . 1 . . . . . . . . 4248 1 233 . 1 1 20 20 ASN CB C 13 36.00 . . 1 . . . . . . . . 4248 1 234 . 1 1 20 20 ASN HB2 H 1 2.85 . . 1 . . . . . . . . 4248 1 235 . 1 1 20 20 ASN HB3 H 1 2.91 . . 1 . . . . . . . . 4248 1 236 . 1 1 20 20 ASN ND2 N 15 111.62 . . 1 . . . . . . . . 4248 1 237 . 1 1 20 20 ASN HD21 H 1 7.31 . . 2 . . . . . . . . 4248 1 238 . 1 1 20 20 ASN HD22 H 1 6.99 . . 2 . . . . . . . . 4248 1 239 . 1 1 21 21 VAL N N 15 119.91 . . 1 . . . . . . . . 4248 1 240 . 1 1 21 21 VAL H H 1 7.68 . . 1 . . . . . . . . 4248 1 241 . 1 1 21 21 VAL CA C 13 64.00 . . 1 . . . . . . . . 4248 1 242 . 1 1 21 21 VAL HA H 1 3.77 . . 1 . . . . . . . . 4248 1 243 . 1 1 21 21 VAL CB C 13 28.73 . . 1 . . . . . . . . 4248 1 244 . 1 1 21 21 VAL HB H 1 2.06 . . 1 . . . . . . . . 4248 1 245 . 1 1 21 21 VAL CG1 C 13 20.11 . . 1 . . . . . . . . 4248 1 246 . 1 1 21 21 VAL HG11 H 1 0.98 . . 1 . . . . . . . . 4248 1 247 . 1 1 21 21 VAL HG12 H 1 0.98 . . 1 . . . . . . . . 4248 1 248 . 1 1 21 21 VAL HG13 H 1 0.98 . . 1 . . . . . . . . 4248 1 249 . 1 1 21 21 VAL CG2 C 13 20.92 . . 1 . . . . . . . . 4248 1 250 . 1 1 21 21 VAL HG21 H 1 0.94 . . 1 . . . . . . . . 4248 1 251 . 1 1 21 21 VAL HG22 H 1 0.94 . . 1 . . . . . . . . 4248 1 252 . 1 1 21 21 VAL HG23 H 1 0.94 . . 1 . . . . . . . . 4248 1 253 . 1 1 22 22 VAL N N 15 122.56 . . 1 . . . . . . . . 4248 1 254 . 1 1 22 22 VAL H H 1 8.59 . . 1 . . . . . . . . 4248 1 255 . 1 1 22 22 VAL CA C 13 64.35 . . 1 . . . . . . . . 4248 1 256 . 1 1 22 22 VAL HA H 1 3.62 . . 1 . . . . . . . . 4248 1 257 . 1 1 22 22 VAL CB C 13 29.54 . . 1 . . . . . . . . 4248 1 258 . 1 1 22 22 VAL HB H 1 2.11 . . 1 . . . . . . . . 4248 1 259 . 1 1 22 22 VAL CG1 C 13 18.89 . . 1 . . . . . . . . 4248 1 260 . 1 1 22 22 VAL HG11 H 1 0.96 . . 1 . . . . . . . . 4248 1 261 . 1 1 22 22 VAL HG12 H 1 0.96 . . 1 . . . . . . . . 4248 1 262 . 1 1 22 22 VAL HG13 H 1 0.96 . . 1 . . . . . . . . 4248 1 263 . 1 1 22 22 VAL CG2 C 13 21.0 . . 1 . . . . . . . . 4248 1 264 . 1 1 22 22 VAL HG21 H 1 1.04 . . 1 . . . . . . . . 4248 1 265 . 1 1 22 22 VAL HG22 H 1 1.04 . . 1 . . . . . . . . 4248 1 266 . 1 1 22 22 VAL HG23 H 1 1.04 . . 1 . . . . . . . . 4248 1 267 . 1 1 23 23 ALA N N 15 119.03 . . 1 . . . . . . . . 4248 1 268 . 1 1 23 23 ALA H H 1 7.51 . . 1 . . . . . . . . 4248 1 269 . 1 1 23 23 ALA CA C 13 52.10 . . 1 . . . . . . . . 4248 1 270 . 1 1 23 23 ALA HA H 1 4.15 . . 1 . . . . . . . . 4248 1 271 . 1 1 23 23 ALA CB C 13 15.81 . . 1 . . . . . . . . 4248 1 272 . 1 1 23 23 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 4248 1 273 . 1 1 23 23 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 4248 1 274 . 1 1 23 23 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 4248 1 275 . 1 1 24 24 GLU N N 15 114.63 . . 1 . . . . . . . . 4248 1 276 . 1 1 24 24 GLU H H 1 7.65 . . 1 . . . . . . . . 4248 1 277 . 1 1 24 24 GLU CA C 13 54.98 . . 1 . . . . . . . . 4248 1 278 . 1 1 24 24 GLU HA H 1 4.25 . . 1 . . . . . . . . 4248 1 279 . 1 1 24 24 GLU CB C 13 28.32 . . 1 . . . . . . . . 4248 1 280 . 1 1 24 24 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 4248 1 281 . 1 1 24 24 GLU CG C 13 33.84 . . 1 . . . . . . . . 4248 1 282 . 1 1 24 24 GLU HG2 H 1 2.48 . . 2 . . . . . . . . 4248 1 283 . 1 1 24 24 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 4248 1 284 . 1 1 25 25 SER N N 15 113.45 . . 1 . . . . . . . . 4248 1 285 . 1 1 25 25 SER H H 1 7.95 . . 1 . . . . . . . . 4248 1 286 . 1 1 25 25 SER CA C 13 56.64 . . 1 . . . . . . . . 4248 1 287 . 1 1 25 25 SER HA H 1 4.60 . . 1 . . . . . . . . 4248 1 288 . 1 1 25 25 SER CB C 13 63.03 . . 1 . . . . . . . . 4248 1 289 . 1 1 25 25 SER HB3 H 1 3.91 . . 2 . . . . . . . . 4248 1 290 . 1 1 25 25 SER HB2 H 1 4.60 . . 2 . . . . . . . . 4248 1 291 . 1 1 26 26 THR N N 15 114.59 . . 1 . . . . . . . . 4248 1 292 . 1 1 26 26 THR H H 1 8.20 . . 1 . . . . . . . . 4248 1 293 . 1 1 26 26 THR CA C 13 61.18 . . 1 . . . . . . . . 4248 1 294 . 1 1 26 26 THR HA H 1 4.26 . . 1 . . . . . . . . 4248 1 295 . 1 1 26 26 THR CB C 13 66.65 . . 1 . . . . . . . . 4248 1 296 . 1 1 26 26 THR HB H 1 4.44 . . 1 . . . . . . . . 4248 1 297 . 1 1 26 26 THR CG2 C 13 19.40 . . 1 . . . . . . . . 4248 1 298 . 1 1 26 26 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4248 1 299 . 1 1 26 26 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4248 1 300 . 1 1 26 26 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4248 1 301 . 1 1 27 27 LEU N N 15 122.26 . . 1 . . . . . . . . 4248 1 302 . 1 1 27 27 LEU H H 1 7.81 . . 1 . . . . . . . . 4248 1 303 . 1 1 27 27 LEU CA C 13 52.63 . . 1 . . . . . . . . 4248 1 304 . 1 1 27 27 LEU HA H 1 4.43 . . 1 . . . . . . . . 4248 1 305 . 1 1 27 27 LEU CB C 13 40.74 . . 1 . . . . . . . . 4248 1 306 . 1 1 27 27 LEU HB2 H 1 1.64 . . 1 . . . . . . . . 4248 1 307 . 1 1 27 27 LEU HB3 H 1 1.44 . . 1 . . . . . . . . 4248 1 308 . 1 1 27 27 LEU CG C 13 24.56 . . 1 . . . . . . . . 4248 1 309 . 1 1 27 27 LEU HG H 1 1.56 . . 1 . . . . . . . . 4248 1 310 . 1 1 27 27 LEU CD1 C 13 22.96 . . 2 . . . . . . . . 4248 1 311 . 1 1 27 27 LEU HD11 H 1 0.90 . . 1 . . . . . . . . 4248 1 312 . 1 1 27 27 LEU HD12 H 1 0.90 . . 1 . . . . . . . . 4248 1 313 . 1 1 27 27 LEU HD13 H 1 0.90 . . 1 . . . . . . . . 4248 1 314 . 1 1 27 27 LEU CD2 C 13 21.07 . . 2 . . . . . . . . 4248 1 315 . 1 1 27 27 LEU HD21 H 1 0.90 . . 1 . . . . . . . . 4248 1 316 . 1 1 27 27 LEU HD22 H 1 0.90 . . 1 . . . . . . . . 4248 1 317 . 1 1 27 27 LEU HD23 H 1 0.90 . . 1 . . . . . . . . 4248 1 318 . 1 1 28 28 LYS N N 15 117.27 . . 1 . . . . . . . . 4248 1 319 . 1 1 28 28 LYS H H 1 8.38 . . 1 . . . . . . . . 4248 1 320 . 1 1 28 28 LYS CA C 13 53.05 . . 1 . . . . . . . . 4248 1 321 . 1 1 28 28 LYS HA H 1 4.45 . . 1 . . . . . . . . 4248 1 322 . 1 1 28 28 LYS CB C 13 31.87 . . 1 . . . . . . . . 4248 1 323 . 1 1 28 28 LYS HB2 H 1 1.69 . . 1 . . . . . . . . 4248 1 324 . 1 1 28 28 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 4248 1 325 . 1 1 28 28 LYS CG C 13 22.08 . . 1 . . . . . . . . 4248 1 326 . 1 1 28 28 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 4248 1 327 . 1 1 28 28 LYS CD C 13 26.25 . . 1 . . . . . . . . 4248 1 328 . 1 1 28 28 LYS HD2 H 1 1.65 . . 2 . . . . . . . . 4248 1 329 . 1 1 28 28 LYS CE C 13 40.06 . . 1 . . . . . . . . 4248 1 330 . 1 1 28 28 LYS HE2 H 1 3.01 . . 2 . . . . . . . . 4248 1 331 . 1 1 29 29 GLU N N 15 119.62 . . 1 . . . . . . . . 4248 1 332 . 1 1 29 29 GLU H H 1 7.66 . . 1 . . . . . . . . 4248 1 333 . 1 1 29 29 GLU CA C 13 54.80 . . 1 . . . . . . . . 4248 1 334 . 1 1 29 29 GLU HA H 1 3.95 . . 1 . . . . . . . . 4248 1 335 . 1 1 29 29 GLU CB C 13 27.46 . . 1 . . . . . . . . 4248 1 336 . 1 1 29 29 GLU HB2 H 1 2.10 . . 1 . . . . . . . . 4248 1 337 . 1 1 29 29 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4248 1 338 . 1 1 29 29 GLU CG C 13 33.72 . . 1 . . . . . . . . 4248 1 339 . 1 1 29 29 GLU HG2 H 1 2.53 . . 2 . . . . . . . . 4248 1 340 . 1 1 29 29 GLU HG3 H 1 2.44 . . 2 . . . . . . . . 4248 1 341 . 1 1 30 30 SER N N 15 121.38 . . 1 . . . . . . . . 4248 1 342 . 1 1 30 30 SER H H 1 8.78 . . 1 . . . . . . . . 4248 1 343 . 1 1 30 30 SER CA C 13 59.64 . . 1 . . . . . . . . 4248 1 344 . 1 1 30 30 SER HA H 1 3.75 . . 1 . . . . . . . . 4248 1 345 . 1 1 30 30 SER CB C 13 60.13 . . 1 . . . . . . . . 4248 1 346 . 1 1 30 30 SER HB2 H 1 3.58 . . 2 . . . . . . . . 4248 1 347 . 1 1 30 30 SER HB3 H 1 3.43 . . 2 . . . . . . . . 4248 1 348 . 1 1 31 31 ALA N N 15 118.45 . . 1 . . . . . . . . 4248 1 349 . 1 1 31 31 ALA H H 1 7.46 . . 1 . . . . . . . . 4248 1 350 . 1 1 31 31 ALA CA C 13 53.26 . . 1 . . . . . . . . 4248 1 351 . 1 1 31 31 ALA HA H 1 4.30 . . 1 . . . . . . . . 4248 1 352 . 1 1 31 31 ALA CB C 13 15.43 . . 1 . . . . . . . . 4248 1 353 . 1 1 31 31 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 4248 1 354 . 1 1 31 31 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 4248 1 355 . 1 1 31 31 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 4248 1 356 . 1 1 32 32 ALA N N 15 117.86 . . 1 . . . . . . . . 4248 1 357 . 1 1 32 32 ALA H H 1 6.94 . . 1 . . . . . . . . 4248 1 358 . 1 1 32 32 ALA CA C 13 51.94 . . 1 . . . . . . . . 4248 1 359 . 1 1 32 32 ALA HA H 1 4.32 . . 1 . . . . . . . . 4248 1 360 . 1 1 32 32 ALA CB C 13 16.30 . . 1 . . . . . . . . 4248 1 361 . 1 1 32 32 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4248 1 362 . 1 1 32 32 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4248 1 363 . 1 1 32 32 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4248 1 364 . 1 1 33 33 ILE N N 15 120.80 . . 1 . . . . . . . . 4248 1 365 . 1 1 33 33 ILE H H 1 7.74 . . 1 . . . . . . . . 4248 1 366 . 1 1 33 33 ILE CA C 13 60.49 . . 1 . . . . . . . . 4248 1 367 . 1 1 33 33 ILE HA H 1 3.61 . . 1 . . . . . . . . 4248 1 368 . 1 1 33 33 ILE CB C 13 33.65 . . 1 . . . . . . . . 4248 1 369 . 1 1 33 33 ILE HB H 1 2.06 . . 1 . . . . . . . . 4248 1 370 . 1 1 33 33 ILE CG1 C 13 25.37 . . 1 . . . . . . . . 4248 1 371 . 1 1 33 33 ILE HG12 H 1 1.29 . . 2 . . . . . . . . 4248 1 372 . 1 1 33 33 ILE HG13 H 1 1.24 . . 1 . . . . . . . . 4248 1 373 . 1 1 33 33 ILE CG2 C 13 14.86 . . 1 . . . . . . . . 4248 1 374 . 1 1 33 33 ILE HG21 H 1 0.76 . . 1 . . . . . . . . 4248 1 375 . 1 1 33 33 ILE HG22 H 1 0.76 . . 1 . . . . . . . . 4248 1 376 . 1 1 33 33 ILE HG23 H 1 0.76 . . 1 . . . . . . . . 4248 1 377 . 1 1 33 33 ILE CD1 C 13 8.37 . . 1 . . . . . . . . 4248 1 378 . 1 1 33 33 ILE HD11 H 1 0.62 . . 1 . . . . . . . . 4248 1 379 . 1 1 33 33 ILE HD12 H 1 0.62 . . 1 . . . . . . . . 4248 1 380 . 1 1 33 33 ILE HD13 H 1 0.62 . . 1 . . . . . . . . 4248 1 381 . 1 1 34 34 ASN N N 15 120.80 . . 1 . . . . . . . . 4248 1 382 . 1 1 34 34 ASN H H 1 8.62 . . 1 . . . . . . . . 4248 1 383 . 1 1 34 34 ASN CA C 13 53.52 . . 1 . . . . . . . . 4248 1 384 . 1 1 34 34 ASN HA H 1 4.57 . . 1 . . . . . . . . 4248 1 385 . 1 1 34 34 ASN CB C 13 33.60 . . 1 . . . . . . . . 4248 1 386 . 1 1 34 34 ASN HB2 H 1 2.78 . . 2 . . . . . . . . 4248 1 387 . 1 1 35 35 GLN N N 15 117.86 . . 1 . . . . . . . . 4248 1 388 . 1 1 35 35 GLN H H 1 7.67 . . 1 . . . . . . . . 4248 1 389 . 1 1 35 35 GLN CA C 13 57.15 . . 1 . . . . . . . . 4248 1 390 . 1 1 35 35 GLN HA H 1 4.04 . . 1 . . . . . . . . 4248 1 391 . 1 1 35 35 GLN CB C 13 26.91 . . 1 . . . . . . . . 4248 1 392 . 1 1 35 35 GLN HB2 H 1 2.44 . . 1 . . . . . . . . 4248 1 393 . 1 1 35 35 GLN HB3 H 1 2.20 . . 1 . . . . . . . . 4248 1 394 . 1 1 35 35 GLN CG C 13 33.33 . . 1 . . . . . . . . 4248 1 395 . 1 1 35 35 GLN HG2 H 1 2.83 . . 2 . . . . . . . . 4248 1 396 . 1 1 35 35 GLN HG3 H 1 2.33 . . 2 . . . . . . . . 4248 1 397 . 1 1 35 35 GLN NE2 N 15 112.49 . . 1 . . . . . . . . 4248 1 398 . 1 1 35 35 GLN HE21 H 1 7.32 . . 2 . . . . . . . . 4248 1 399 . 1 1 35 35 GLN HE22 H 1 7.01 . . 2 . . . . . . . . 4248 1 400 . 1 1 36 36 ILE N N 15 121.68 . . 1 . . . . . . . . 4248 1 401 . 1 1 36 36 ILE H H 1 7.64 . . 1 . . . . . . . . 4248 1 402 . 1 1 36 36 ILE CA C 13 63.39 . . 1 . . . . . . . . 4248 1 403 . 1 1 36 36 ILE HA H 1 3.74 . . 1 . . . . . . . . 4248 1 404 . 1 1 36 36 ILE CB C 13 35.25 . . 1 . . . . . . . . 4248 1 405 . 1 1 36 36 ILE HB H 1 2.18 . . 1 . . . . . . . . 4248 1 406 . 1 1 36 36 ILE CG1 C 13 26.58 . . 1 . . . . . . . . 4248 1 407 . 1 1 36 36 ILE HG12 H 1 1.83 . . 2 . . . . . . . . 4248 1 408 . 1 1 36 36 ILE HG13 H 1 1.12 . . 2 . . . . . . . . 4248 1 409 . 1 1 36 36 ILE CG2 C 13 15.65 . . 1 . . . . . . . . 4248 1 410 . 1 1 36 36 ILE HG21 H 1 0.94 . . 1 . . . . . . . . 4248 1 411 . 1 1 36 36 ILE HG22 H 1 0.94 . . 1 . . . . . . . . 4248 1 412 . 1 1 36 36 ILE HG23 H 1 0.94 . . 1 . . . . . . . . 4248 1 413 . 1 1 36 36 ILE CD1 C 13 11.20 . . 1 . . . . . . . . 4248 1 414 . 1 1 36 36 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4248 1 415 . 1 1 36 36 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4248 1 416 . 1 1 36 36 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4248 1 417 . 1 1 37 37 LEU N N 15 119.33 . . 1 . . . . . . . . 4248 1 418 . 1 1 37 37 LEU H H 1 8.81 . . 1 . . . . . . . . 4248 1 419 . 1 1 37 37 LEU CA C 13 56.54 . . 1 . . . . . . . . 4248 1 420 . 1 1 37 37 LEU HA H 1 4.17 . . 1 . . . . . . . . 4248 1 421 . 1 1 37 37 LEU CB C 13 38.95 . . 1 . . . . . . . . 4248 1 422 . 1 1 37 37 LEU HB2 H 1 2.26 . . 2 . . . . . . . . 4248 1 423 . 1 1 37 37 LEU CG C 13 24.96 . . 1 . . . . . . . . 4248 1 424 . 1 1 37 37 LEU HG H 1 1.74 . . 1 . . . . . . . . 4248 1 425 . 1 1 37 37 LEU CD1 C 13 24.72 . . 2 . . . . . . . . 4248 1 426 . 1 1 37 37 LEU HD11 H 1 0.75 . . 2 . . . . . . . . 4248 1 427 . 1 1 37 37 LEU HD12 H 1 0.75 . . 2 . . . . . . . . 4248 1 428 . 1 1 37 37 LEU HD13 H 1 0.75 . . 2 . . . . . . . . 4248 1 429 . 1 1 37 37 LEU CD2 C 13 22.22 . . 2 . . . . . . . . 4248 1 430 . 1 1 37 37 LEU HD21 H 1 0.63 . . 2 . . . . . . . . 4248 1 431 . 1 1 37 37 LEU HD22 H 1 0.63 . . 2 . . . . . . . . 4248 1 432 . 1 1 37 37 LEU HD23 H 1 0.63 . . 2 . . . . . . . . 4248 1 433 . 1 1 38 38 GLY N N 15 106.11 . . 1 . . . . . . . . 4248 1 434 . 1 1 38 38 GLY H H 1 8.59 . . 1 . . . . . . . . 4248 1 435 . 1 1 38 38 GLY CA C 13 45.98 . . 1 . . . . . . . . 4248 1 436 . 1 1 38 38 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 4248 1 437 . 1 1 38 38 GLY HA3 H 1 3.79 . . 2 . . . . . . . . 4248 1 438 . 1 1 39 39 ARG N N 15 118.45 . . 1 . . . . . . . . 4248 1 439 . 1 1 39 39 ARG H H 1 7.31 . . 1 . . . . . . . . 4248 1 440 . 1 1 39 39 ARG CA C 13 57.23 . . 1 . . . . . . . . 4248 1 441 . 1 1 39 39 ARG HA H 1 4.24 . . 1 . . . . . . . . 4248 1 442 . 1 1 39 39 ARG CB C 13 27.74 . . 1 . . . . . . . . 4248 1 443 . 1 1 39 39 ARG HB2 H 1 1.97 . . 1 . . . . . . . . 4248 1 444 . 1 1 39 39 ARG HB3 H 1 2.13 . . 1 . . . . . . . . 4248 1 445 . 1 1 39 39 ARG CG C 13 25.49 . . 1 . . . . . . . . 4248 1 446 . 1 1 39 39 ARG HG2 H 1 1.97 . . 2 . . . . . . . . 4248 1 447 . 1 1 39 39 ARG HG3 H 1 1.75 . . 2 . . . . . . . . 4248 1 448 . 1 1 39 39 ARG CD C 13 41.43 . . 1 . . . . . . . . 4248 1 449 . 1 1 39 39 ARG HD2 H 1 3.33 . . 2 . . . . . . . . 4248 1 450 . 1 1 39 39 ARG HD3 H 1 3.22 . . 2 . . . . . . . . 4248 1 451 . 1 1 40 40 ARG N N 15 119.91 . . 1 . . . . . . . . 4248 1 452 . 1 1 40 40 ARG H H 1 8.69 . . 1 . . . . . . . . 4248 1 453 . 1 1 40 40 ARG CA C 13 57.36 . . 1 . . . . . . . . 4248 1 454 . 1 1 40 40 ARG HA H 1 4.04 . . 1 . . . . . . . . 4248 1 455 . 1 1 40 40 ARG CB C 13 28.16 . . 1 . . . . . . . . 4248 1 456 . 1 1 40 40 ARG HB2 H 1 2.14 . . 2 . . . . . . . . 4248 1 457 . 1 1 40 40 ARG CG C 13 25.63 . . 1 . . . . . . . . 4248 1 458 . 1 1 40 40 ARG HG2 H 1 1.96 . . 2 . . . . . . . . 4248 1 459 . 1 1 40 40 ARG HG3 H 1 1.74 . . 2 . . . . . . . . 4248 1 460 . 1 1 40 40 ARG CD C 13 41.26 . . 1 . . . . . . . . 4248 1 461 . 1 1 40 40 ARG HD2 H 1 3.20 . . 2 . . . . . . . . 4248 1 462 . 1 1 40 40 ARG HD3 H 1 3.01 . . 2 . . . . . . . . 4248 1 463 . 1 1 41 41 TRP N N 15 121.09 . . 1 . . . . . . . . 4248 1 464 . 1 1 41 41 TRP H H 1 8.68 . . 1 . . . . . . . . 4248 1 465 . 1 1 41 41 TRP CA C 13 57.39 . . 1 . . . . . . . . 4248 1 466 . 1 1 41 41 TRP HA H 1 3.83 . . 1 . . . . . . . . 4248 1 467 . 1 1 41 41 TRP CB C 13 27.39 . . 1 . . . . . . . . 4248 1 468 . 1 1 41 41 TRP HB2 H 1 3.29 . . 2 . . . . . . . . 4248 1 469 . 1 1 41 41 TRP HB3 H 1 3.24 . . 2 . . . . . . . . 4248 1 470 . 1 1 41 41 TRP HD1 H 1 5.71 . . 1 . . . . . . . . 4248 1 471 . 1 1 41 41 TRP CD1 C 13 123.00 . . 1 . . . . . . . . 4248 1 472 . 1 1 41 41 TRP HZ2 H 1 7.06 . . 1 . . . . . . . . 4248 1 473 . 1 1 41 41 TRP CZ2 C 13 110.56 . . 1 . . . . . . . . 4248 1 474 . 1 1 41 41 TRP NE1 N 15 131.8 . . 1 . . . . . . . . 4248 1 475 . 1 1 41 41 TRP HE1 H 1 10.60 . . 1 . . . . . . . . 4248 1 476 . 1 1 41 41 TRP HH2 H 1 6.72 . . 1 . . . . . . . . 4248 1 477 . 1 1 41 41 TRP CH2 C 13 121.58 . . 1 . . . . . . . . 4248 1 478 . 1 1 41 41 TRP HZ3 H 1 6.40 . . 1 . . . . . . . . 4248 1 479 . 1 1 41 41 TRP CZ3 C 13 118.61 . . 1 . . . . . . . . 4248 1 480 . 1 1 41 41 TRP HE3 H 1 6.11 . . 1 . . . . . . . . 4248 1 481 . 1 1 41 41 TRP CE3 C 13 119.23 . . 1 . . . . . . . . 4248 1 482 . 1 1 42 42 HIS N N 15 113.16 . . 1 . . . . . . . . 4248 1 483 . 1 1 42 42 HIS H H 1 7.28 . . 1 . . . . . . . . 4248 1 484 . 1 1 42 42 HIS CA C 13 55.80 . . 1 . . . . . . . . 4248 1 485 . 1 1 42 42 HIS HA H 1 4.07 . . 1 . . . . . . . . 4248 1 486 . 1 1 42 42 HIS CB C 13 28.23 . . 1 . . . . . . . . 4248 1 487 . 1 1 42 42 HIS HB2 H 1 3.21 . . 1 . . . . . . . . 4248 1 488 . 1 1 42 42 HIS HB3 H 1 3.27 . . 1 . . . . . . . . 4248 1 489 . 1 1 43 43 ALA N N 15 118.74 . . 1 . . . . . . . . 4248 1 490 . 1 1 43 43 ALA H H 1 7.34 . . 1 . . . . . . . . 4248 1 491 . 1 1 43 43 ALA CA C 13 49.52 . . 1 . . . . . . . . 4248 1 492 . 1 1 43 43 ALA HA H 1 4.36 . . 1 . . . . . . . . 4248 1 493 . 1 1 43 43 ALA CB C 13 16.38 . . 1 . . . . . . . . 4248 1 494 . 1 1 43 43 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 4248 1 495 . 1 1 43 43 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 4248 1 496 . 1 1 43 43 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 4248 1 497 . 1 1 44 44 LEU N N 15 120.50 . . 1 . . . . . . . . 4248 1 498 . 1 1 44 44 LEU H H 1 7.06 . . 1 . . . . . . . . 4248 1 499 . 1 1 44 44 LEU CA C 13 52.44 . . 1 . . . . . . . . 4248 1 500 . 1 1 44 44 LEU HA H 1 4.25 . . 1 . . . . . . . . 4248 1 501 . 1 1 44 44 LEU CB C 13 41.01 . . 1 . . . . . . . . 4248 1 502 . 1 1 44 44 LEU HB2 H 1 1.51 . . 1 . . . . . . . . 4248 1 503 . 1 1 44 44 LEU HB3 H 1 1.36 . . 1 . . . . . . . . 4248 1 504 . 1 1 44 44 LEU CG C 13 23.75 . . 1 . . . . . . . . 4248 1 505 . 1 1 44 44 LEU HG H 1 1.97 . . 1 . . . . . . . . 4248 1 506 . 1 1 44 44 LEU CD1 C 13 24.02 . . 2 . . . . . . . . 4248 1 507 . 1 1 44 44 LEU HD11 H 1 0.54 . . 2 . . . . . . . . 4248 1 508 . 1 1 44 44 LEU HD12 H 1 0.54 . . 2 . . . . . . . . 4248 1 509 . 1 1 44 44 LEU HD13 H 1 0.54 . . 2 . . . . . . . . 4248 1 510 . 1 1 44 44 LEU CD2 C 13 20.06 . . 2 . . . . . . . . 4248 1 511 . 1 1 44 44 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4248 1 512 . 1 1 44 44 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4248 1 513 . 1 1 44 44 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4248 1 514 . 1 1 45 45 SER N N 15 115.80 . . 1 . . . . . . . . 4248 1 515 . 1 1 45 45 SER H H 1 8.71 . . 1 . . . . . . . . 4248 1 516 . 1 1 45 45 SER CA C 13 55.08 . . 1 . . . . . . . . 4248 1 517 . 1 1 45 45 SER HA H 1 4.41 . . 1 . . . . . . . . 4248 1 518 . 1 1 45 45 SER CB C 13 63.03 . . 1 . . . . . . . . 4248 1 519 . 1 1 45 45 SER HB3 H 1 4.09 . . 2 . . . . . . . . 4248 1 520 . 1 1 45 45 SER HB2 H 1 4.39 . . 2 . . . . . . . . 4248 1 521 . 1 1 46 46 ARG N N 15 121.68 . . 1 . . . . . . . . 4248 1 522 . 1 1 46 46 ARG H H 1 8.93 . . 1 . . . . . . . . 4248 1 523 . 1 1 46 46 ARG CA C 13 57.10 . . 1 . . . . . . . . 4248 1 524 . 1 1 46 46 ARG HA H 1 3.94 . . 1 . . . . . . . . 4248 1 525 . 1 1 46 46 ARG CB C 13 26.88 . . 1 . . . . . . . . 4248 1 526 . 1 1 46 46 ARG HB2 H 1 1.92 . . 2 . . . . . . . . 4248 1 527 . 1 1 46 46 ARG HB3 H 1 1.85 . . 2 . . . . . . . . 4248 1 528 . 1 1 46 46 ARG CG C 13 24.38 . . 1 . . . . . . . . 4248 1 529 . 1 1 46 46 ARG HG2 H 1 1.71 . . 2 . . . . . . . . 4248 1 530 . 1 1 46 46 ARG CD C 13 40.75 . . 1 . . . . . . . . 4248 1 531 . 1 1 46 46 ARG HD2 H 1 3.26 . . 2 . . . . . . . . 4248 1 532 . 1 1 47 47 GLU N N 15 118.45 . . 1 . . . . . . . . 4248 1 533 . 1 1 47 47 GLU H H 1 8.80 . . 1 . . . . . . . . 4248 1 534 . 1 1 47 47 GLU CA C 13 57.79 . . 1 . . . . . . . . 4248 1 535 . 1 1 47 47 GLU HA H 1 4.08 . . 1 . . . . . . . . 4248 1 536 . 1 1 47 47 GLU CB C 13 26.40 . . 1 . . . . . . . . 4248 1 537 . 1 1 47 47 GLU HB2 H 1 2.09 . . 1 . . . . . . . . 4248 1 538 . 1 1 47 47 GLU HB3 H 1 1.98 . . 1 . . . . . . . . 4248 1 539 . 1 1 47 47 GLU CG C 13 34.76 . . 1 . . . . . . . . 4248 1 540 . 1 1 47 47 GLU HG2 H 1 2.46 . . 2 . . . . . . . . 4248 1 541 . 1 1 47 47 GLU HG3 H 1 2.30 . . 2 . . . . . . . . 4248 1 542 . 1 1 48 48 GLU N N 15 120.21 . . 1 . . . . . . . . 4248 1 543 . 1 1 48 48 GLU H H 1 7.76 . . 1 . . . . . . . . 4248 1 544 . 1 1 48 48 GLU CA C 13 56.64 . . 1 . . . . . . . . 4248 1 545 . 1 1 48 48 GLU HA H 1 4.21 . . 1 . . . . . . . . 4248 1 546 . 1 1 48 48 GLU CB C 13 28.41 . . 1 . . . . . . . . 4248 1 547 . 1 1 48 48 GLU HB2 H 1 2.33 . . 1 . . . . . . . . 4248 1 548 . 1 1 48 48 GLU HB3 H 1 2.17 . . 1 . . . . . . . . 4248 1 549 . 1 1 48 48 GLU CG C 13 35.25 . . 1 . . . . . . . . 4248 1 550 . 1 1 48 48 GLU HG2 H 1 2.42 . . 2 . . . . . . . . 4248 1 551 . 1 1 48 48 GLU HG3 H 1 2.36 . . 2 . . . . . . . . 4248 1 552 . 1 1 49 49 GLN N N 15 116.39 . . 1 . . . . . . . . 4248 1 553 . 1 1 49 49 GLN H H 1 8.34 . . 1 . . . . . . . . 4248 1 554 . 1 1 49 49 GLN CA C 13 57.42 . . 1 . . . . . . . . 4248 1 555 . 1 1 49 49 GLN HA H 1 3.95 . . 1 . . . . . . . . 4248 1 556 . 1 1 49 49 GLN CB C 13 25.45 . . 1 . . . . . . . . 4248 1 557 . 1 1 49 49 GLN HB2 H 1 2.02 . . 2 . . . . . . . . 4248 1 558 . 1 1 49 49 GLN HB3 H 1 1.96 . . 2 . . . . . . . . 4248 1 559 . 1 1 49 49 GLN CG C 13 31.29 . . 1 . . . . . . . . 4248 1 560 . 1 1 49 49 GLN HG2 H 1 1.98 . . 2 . . . . . . . . 4248 1 561 . 1 1 49 49 GLN HG3 H 1 1.83 . . 2 . . . . . . . . 4248 1 562 . 1 1 50 50 ALA N N 15 120.21 . . 1 . . . . . . . . 4248 1 563 . 1 1 50 50 ALA H H 1 8.20 . . 1 . . . . . . . . 4248 1 564 . 1 1 50 50 ALA CA C 13 53.48 . . 1 . . . . . . . . 4248 1 565 . 1 1 50 50 ALA HA H 1 4.43 . . 1 . . . . . . . . 4248 1 566 . 1 1 50 50 ALA CB C 13 15.50 . . 1 . . . . . . . . 4248 1 567 . 1 1 50 50 ALA HB1 H 1 1.64 . . 1 . . . . . . . . 4248 1 568 . 1 1 50 50 ALA HB2 H 1 1.64 . . 1 . . . . . . . . 4248 1 569 . 1 1 50 50 ALA HB3 H 1 1.64 . . 1 . . . . . . . . 4248 1 570 . 1 1 51 51 LYS N N 15 117.27 . . 1 . . . . . . . . 4248 1 571 . 1 1 51 51 LYS H H 1 7.40 . . 1 . . . . . . . . 4248 1 572 . 1 1 51 51 LYS CA C 13 57.03 . . 1 . . . . . . . . 4248 1 573 . 1 1 51 51 LYS HA H 1 4.05 . . 1 . . . . . . . . 4248 1 574 . 1 1 51 51 LYS CB C 13 29.64 . . 1 . . . . . . . . 4248 1 575 . 1 1 51 51 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 4248 1 576 . 1 1 51 51 LYS HB3 H 1 1.60 . . 2 . . . . . . . . 4248 1 577 . 1 1 51 51 LYS CG C 13 21.68 . . 1 . . . . . . . . 4248 1 578 . 1 1 51 51 LYS HG2 H 1 1.28 . . 2 . . . . . . . . 4248 1 579 . 1 1 51 51 LYS HG3 H 1 0.81 . . 2 . . . . . . . . 4248 1 580 . 1 1 51 51 LYS CD C 13 26.78 . . 1 . . . . . . . . 4248 1 581 . 1 1 51 51 LYS HD2 H 1 1.59 . . 2 . . . . . . . . 4248 1 582 . 1 1 51 51 LYS HD3 H 1 1.48 . . 2 . . . . . . . . 4248 1 583 . 1 1 51 51 LYS CE C 13 39.77 . . 1 . . . . . . . . 4248 1 584 . 1 1 51 51 LYS HE2 H 1 2.75 . . 2 . . . . . . . . 4248 1 585 . 1 1 52 52 TYR N N 15 118.74 . . 1 . . . . . . . . 4248 1 586 . 1 1 52 52 TYR H H 1 7.48 . . 1 . . . . . . . . 4248 1 587 . 1 1 52 52 TYR CA C 13 60.05 . . 1 . . . . . . . . 4248 1 588 . 1 1 52 52 TYR HA H 1 4.18 . . 1 . . . . . . . . 4248 1 589 . 1 1 52 52 TYR CB C 13 35.57 . . 1 . . . . . . . . 4248 1 590 . 1 1 52 52 TYR HB2 H 1 3.20 . . 1 . . . . . . . . 4248 1 591 . 1 1 52 52 TYR HB3 H 1 3.70 . . 1 . . . . . . . . 4248 1 592 . 1 1 52 52 TYR HD1 H 1 7.2599 . . 3 . . . . . . . . 4248 1 593 . 1 1 52 52 TYR CD1 C 13 131.22 . . 3 . . . . . . . . 4248 1 594 . 1 1 52 52 TYR HE1 H 1 6.96 . . 3 . . . . . . . . 4248 1 595 . 1 1 52 52 TYR CE1 C 13 116.55 . . 3 . . . . . . . . 4248 1 596 . 1 1 53 53 TYR N N 15 119.91 . . 1 . . . . . . . . 4248 1 597 . 1 1 53 53 TYR H H 1 8.43 . . 1 . . . . . . . . 4248 1 598 . 1 1 53 53 TYR CA C 13 61.55 . . 1 . . . . . . . . 4248 1 599 . 1 1 53 53 TYR HA H 1 4.35 . . 1 . . . . . . . . 4248 1 600 . 1 1 53 53 TYR CB C 13 35.56 . . 1 . . . . . . . . 4248 1 601 . 1 1 53 53 TYR HB2 H 1 3.11 . . 1 . . . . . . . . 4248 1 602 . 1 1 53 53 TYR HB3 H 1 3.20 . . 1 . . . . . . . . 4248 1 603 . 1 1 53 53 TYR HD1 H 1 7.35 . . 3 . . . . . . . . 4248 1 604 . 1 1 53 53 TYR CD1 C 13 131.48 . . 3 . . . . . . . . 4248 1 605 . 1 1 53 53 TYR HE1 H 1 7.16 . . 3 . . . . . . . . 4248 1 606 . 1 1 53 53 TYR CE1 C 13 116.36 . . 3 . . . . . . . . 4248 1 607 . 1 1 54 54 GLU N N 15 121.68 . . 1 . . . . . . . . 4248 1 608 . 1 1 54 54 GLU H H 1 8.48 . . 1 . . . . . . . . 4248 1 609 . 1 1 54 54 GLU CA C 13 57.01 . . 1 . . . . . . . . 4248 1 610 . 1 1 54 54 GLU HA H 1 4.38 . . 1 . . . . . . . . 4248 1 611 . 1 1 54 54 GLU CB C 13 26.12 . . 1 . . . . . . . . 4248 1 612 . 1 1 54 54 GLU HB2 H 1 2.20 . . 1 . . . . . . . . 4248 1 613 . 1 1 54 54 GLU HB3 H 1 2.13 . . 1 . . . . . . . . 4248 1 614 . 1 1 54 54 GLU CG C 13 33.32 . . 1 . . . . . . . . 4248 1 615 . 1 1 54 54 GLU HG2 H 1 2.40 . . 2 . . . . . . . . 4248 1 616 . 1 1 54 54 GLU HG3 H 1 2.33 . . 2 . . . . . . . . 4248 1 617 . 1 1 55 55 LEU N N 15 120.21 . . 1 . . . . . . . . 4248 1 618 . 1 1 55 55 LEU H H 1 7.83 . . 1 . . . . . . . . 4248 1 619 . 1 1 55 55 LEU CA C 13 55.75 . . 1 . . . . . . . . 4248 1 620 . 1 1 55 55 LEU HA H 1 4.15 . . 1 . . . . . . . . 4248 1 621 . 1 1 55 55 LEU CB C 13 39.77 . . 1 . . . . . . . . 4248 1 622 . 1 1 55 55 LEU HB2 H 1 1.94 . . 1 . . . . . . . . 4248 1 623 . 1 1 55 55 LEU HB3 H 1 1.65 . . 1 . . . . . . . . 4248 1 624 . 1 1 55 55 LEU CG C 13 24.15 . . 1 . . . . . . . . 4248 1 625 . 1 1 55 55 LEU HG H 1 1.87 . . 1 . . . . . . . . 4248 1 626 . 1 1 55 55 LEU CD1 C 13 22.5 . . 2 . . . . . . . . 4248 1 627 . 1 1 55 55 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 4248 1 628 . 1 1 55 55 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 4248 1 629 . 1 1 55 55 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 4248 1 630 . 1 1 55 55 LEU CD2 C 13 20.57 . . 2 . . . . . . . . 4248 1 631 . 1 1 55 55 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 4248 1 632 . 1 1 55 55 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 4248 1 633 . 1 1 55 55 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 4248 1 634 . 1 1 56 56 ALA N N 15 121.97 . . 1 . . . . . . . . 4248 1 635 . 1 1 56 56 ALA H H 1 8.51 . . 1 . . . . . . . . 4248 1 636 . 1 1 56 56 ALA CA C 13 52.77 . . 1 . . . . . . . . 4248 1 637 . 1 1 56 56 ALA HA H 1 4.01 . . 1 . . . . . . . . 4248 1 638 . 1 1 56 56 ALA CB C 13 15.21 . . 1 . . . . . . . . 4248 1 639 . 1 1 56 56 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4248 1 640 . 1 1 56 56 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4248 1 641 . 1 1 56 56 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4248 1 642 . 1 1 57 57 ARG N N 15 122.26 . . 1 . . . . . . . . 4248 1 643 . 1 1 57 57 ARG H H 1 8.39 . . 1 . . . . . . . . 4248 1 644 . 1 1 57 57 ARG CA C 13 57.79 . . 1 . . . . . . . . 4248 1 645 . 1 1 57 57 ARG HA H 1 4.15 . . 1 . . . . . . . . 4248 1 646 . 1 1 57 57 ARG CB C 13 27.37 . . 1 . . . . . . . . 4248 1 647 . 1 1 57 57 ARG HB2 H 1 2.17 . . 1 . . . . . . . . 4248 1 648 . 1 1 57 57 ARG HB3 H 1 2.06 . . 1 . . . . . . . . 4248 1 649 . 1 1 57 57 ARG CG C 13 25.30 . . 1 . . . . . . . . 4248 1 650 . 1 1 57 57 ARG HG2 H 1 1.96 . . 2 . . . . . . . . 4248 1 651 . 1 1 57 57 ARG CD C 13 40.96 . . 1 . . . . . . . . 4248 1 652 . 1 1 57 57 ARG HD2 H 1 3.34 . . 2 . . . . . . . . 4248 1 653 . 1 1 58 58 LYS N N 15 120.50 . . 1 . . . . . . . . 4248 1 654 . 1 1 58 58 LYS H H 1 7.97 . . 1 . . . . . . . . 4248 1 655 . 1 1 58 58 LYS CA C 13 57.53 . . 1 . . . . . . . . 4248 1 656 . 1 1 58 58 LYS HA H 1 4.14 . . 1 . . . . . . . . 4248 1 657 . 1 1 58 58 LYS CB C 13 29.51 . . 1 . . . . . . . . 4248 1 658 . 1 1 58 58 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 4248 1 659 . 1 1 58 58 LYS CG C 13 22.84 . . 1 . . . . . . . . 4248 1 660 . 1 1 58 58 LYS HG2 H 1 1.71 . . 2 . . . . . . . . 4248 1 661 . 1 1 58 58 LYS HG3 H 1 1.50 . . 2 . . . . . . . . 4248 1 662 . 1 1 58 58 LYS CD C 13 26.86 . . 1 . . . . . . . . 4248 1 663 . 1 1 58 58 LYS HD2 H 1 1.74 . . 2 . . . . . . . . 4248 1 664 . 1 1 58 58 LYS CE C 13 39.70 . . 1 . . . . . . . . 4248 1 665 . 1 1 58 58 LYS HE2 H 1 3.04 . . 2 . . . . . . . . 4248 1 666 . 1 1 59 59 GLU N N 15 119.62 . . 1 . . . . . . . . 4248 1 667 . 1 1 59 59 GLU H H 1 8.40 . . 1 . . . . . . . . 4248 1 668 . 1 1 59 59 GLU CA C 13 56.98 . . 1 . . . . . . . . 4248 1 669 . 1 1 59 59 GLU HA H 1 4.18 . . 1 . . . . . . . . 4248 1 670 . 1 1 59 59 GLU CB C 13 26.73 . . 1 . . . . . . . . 4248 1 671 . 1 1 59 59 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 4248 1 672 . 1 1 59 59 GLU CG C 13 33.88 . . 1 . . . . . . . . 4248 1 673 . 1 1 59 59 GLU HG2 H 1 2.44 . . 2 . . . . . . . . 4248 1 674 . 1 1 59 59 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4248 1 675 . 1 1 60 60 ARG N N 15 120.80 . . 1 . . . . . . . . 4248 1 676 . 1 1 60 60 ARG H H 1 8.30 . . 1 . . . . . . . . 4248 1 677 . 1 1 60 60 ARG CA C 13 57.39 . . 1 . . . . . . . . 4248 1 678 . 1 1 60 60 ARG HA H 1 3.93 . . 1 . . . . . . . . 4248 1 679 . 1 1 60 60 ARG CB C 13 27.14 . . 1 . . . . . . . . 4248 1 680 . 1 1 60 60 ARG HB2 H 1 2.06 . . 2 . . . . . . . . 4248 1 681 . 1 1 60 60 ARG CG C 13 25.11 . . 1 . . . . . . . . 4248 1 682 . 1 1 60 60 ARG HG2 H 1 1.81 . . 2 . . . . . . . . 4248 1 683 . 1 1 60 60 ARG HG3 H 1 1.72 . . 2 . . . . . . . . 4248 1 684 . 1 1 60 60 ARG CD C 13 41.46 . . 1 . . . . . . . . 4248 1 685 . 1 1 60 60 ARG HD2 H 1 3.38 . . 2 . . . . . . . . 4248 1 686 . 1 1 61 61 GLN N N 15 119.03 . . 1 . . . . . . . . 4248 1 687 . 1 1 61 61 GLN H H 1 8.15 . . 1 . . . . . . . . 4248 1 688 . 1 1 61 61 GLN CA C 13 56.83 . . 1 . . . . . . . . 4248 1 689 . 1 1 61 61 GLN HA H 1 4.15 . . 1 . . . . . . . . 4248 1 690 . 1 1 61 61 GLN CB C 13 25.93 . . 1 . . . . . . . . 4248 1 691 . 1 1 61 61 GLN HB2 H 1 2.27 . . 2 . . . . . . . . 4248 1 692 . 1 1 61 61 GLN CG C 13 31.67 . . 1 . . . . . . . . 4248 1 693 . 1 1 61 61 GLN HG2 H 1 2.60 . . 2 . . . . . . . . 4248 1 694 . 1 1 61 61 GLN HG3 H 1 2.47 . . 2 . . . . . . . . 4248 1 695 . 1 1 61 61 GLN NE2 N 15 110.74 . . 1 . . . . . . . . 4248 1 696 . 1 1 61 61 GLN HE21 H 1 7.47 . . 2 . . . . . . . . 4248 1 697 . 1 1 61 61 GLN HE22 H 1 6.87 . . 2 . . . . . . . . 4248 1 698 . 1 1 62 62 LEU N N 15 120.21 . . 1 . . . . . . . . 4248 1 699 . 1 1 62 62 LEU H H 1 8.05 . . 1 . . . . . . . . 4248 1 700 . 1 1 62 62 LEU CA C 13 55.50 . . 1 . . . . . . . . 4248 1 701 . 1 1 62 62 LEU HA H 1 4.18 . . 1 . . . . . . . . 4248 1 702 . 1 1 62 62 LEU CB C 13 39.20 . . 1 . . . . . . . . 4248 1 703 . 1 1 62 62 LEU HB2 H 1 1.78 . . 2 . . . . . . . . 4248 1 704 . 1 1 62 62 LEU CG C 13 24.56 . . 1 . . . . . . . . 4248 1 705 . 1 1 62 62 LEU HG H 1 1.70 . . 1 . . . . . . . . 4248 1 706 . 1 1 62 62 LEU CD1 C 13 21.53 . . 1 . . . . . . . . 4248 1 707 . 1 1 62 62 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4248 1 708 . 1 1 62 62 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4248 1 709 . 1 1 62 62 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4248 1 710 . 1 1 62 62 LEU CD2 C 13 21.53 . . 1 . . . . . . . . 4248 1 711 . 1 1 62 62 LEU HD21 H 1 0.94 . . 1 . . . . . . . . 4248 1 712 . 1 1 62 62 LEU HD22 H 1 0.94 . . 1 . . . . . . . . 4248 1 713 . 1 1 62 62 LEU HD23 H 1 0.94 . . 1 . . . . . . . . 4248 1 714 . 1 1 63 63 HIS N N 15 120.50 . . 1 . . . . . . . . 4248 1 715 . 1 1 63 63 HIS H H 1 8.25 . . 1 . . . . . . . . 4248 1 716 . 1 1 63 63 HIS CA C 13 59.15 . . 1 . . . . . . . . 4248 1 717 . 1 1 63 63 HIS HA H 1 3.97 . . 1 . . . . . . . . 4248 1 718 . 1 1 63 63 HIS CB C 13 29.31 . . 1 . . . . . . . . 4248 1 719 . 1 1 63 63 HIS HB2 H 1 3.23 . . 1 . . . . . . . . 4248 1 720 . 1 1 63 63 HIS HB3 H 1 3.32 . . 1 . . . . . . . . 4248 1 721 . 1 1 64 64 MET N N 15 113.75 . . 1 . . . . . . . . 4248 1 722 . 1 1 64 64 MET H H 1 8.12 . . 1 . . . . . . . . 4248 1 723 . 1 1 64 64 MET CA C 13 55.13 . . 1 . . . . . . . . 4248 1 724 . 1 1 64 64 MET HA H 1 4.51 . . 1 . . . . . . . . 4248 1 725 . 1 1 64 64 MET CB C 13 29.67 . . 1 . . . . . . . . 4248 1 726 . 1 1 64 64 MET HB2 H 1 2.32 . . 1 . . . . . . . . 4248 1 727 . 1 1 64 64 MET HB3 H 1 2.27 . . 1 . . . . . . . . 4248 1 728 . 1 1 64 64 MET CG C 13 30.05 . . 1 . . . . . . . . 4248 1 729 . 1 1 64 64 MET HG2 H 1 3.04 . . 2 . . . . . . . . 4248 1 730 . 1 1 64 64 MET HG3 H 1 2.95 . . 2 . . . . . . . . 4248 1 731 . 1 1 64 64 MET CE C 13 14.53 . . 1 . . . . . . . . 4248 1 732 . 1 1 64 64 MET HE1 H 1 2.38 . . 1 . . . . . . . . 4248 1 733 . 1 1 64 64 MET HE2 H 1 2.38 . . 1 . . . . . . . . 4248 1 734 . 1 1 64 64 MET HE3 H 1 2.38 . . 1 . . . . . . . . 4248 1 735 . 1 1 65 65 GLN N N 15 116.98 . . 1 . . . . . . . . 4248 1 736 . 1 1 65 65 GLN H H 1 7.50 . . 1 . . . . . . . . 4248 1 737 . 1 1 65 65 GLN CA C 13 55.47 . . 1 . . . . . . . . 4248 1 738 . 1 1 65 65 GLN HA H 1 4.10 . . 1 . . . . . . . . 4248 1 739 . 1 1 65 65 GLN CB C 13 26.28 . . 1 . . . . . . . . 4248 1 740 . 1 1 65 65 GLN HB2 H 1 2.28 . . 1 . . . . . . . . 4248 1 741 . 1 1 65 65 GLN HB3 H 1 2.18 . . 1 . . . . . . . . 4248 1 742 . 1 1 65 65 GLN CG C 13 31.75 . . 1 . . . . . . . . 4248 1 743 . 1 1 65 65 GLN HG2 H 1 2.58 . . 2 . . . . . . . . 4248 1 744 . 1 1 65 65 GLN HG3 H 1 2.39 . . 2 . . . . . . . . 4248 1 745 . 1 1 65 65 GLN NE2 N 15 110.23 . . 1 . . . . . . . . 4248 1 746 . 1 1 65 65 GLN HE21 H 1 7.37 . . 2 . . . . . . . . 4248 1 747 . 1 1 65 65 GLN HE22 H 1 6.76 . . 2 . . . . . . . . 4248 1 748 . 1 1 66 66 LEU N N 15 119.33 . . 1 . . . . . . . . 4248 1 749 . 1 1 66 66 LEU H H 1 7.75 . . 1 . . . . . . . . 4248 1 750 . 1 1 66 66 LEU CA C 13 54.48 . . 1 . . . . . . . . 4248 1 751 . 1 1 66 66 LEU HA H 1 3.82 . . 1 . . . . . . . . 4248 1 752 . 1 1 66 66 LEU CB C 13 39.90 . . 1 . . . . . . . . 4248 1 753 . 1 1 66 66 LEU HB2 H 1 1.09 . . 1 . . . . . . . . 4248 1 754 . 1 1 66 66 LEU HB3 H 1 0.29 . . 1 . . . . . . . . 4248 1 755 . 1 1 66 66 LEU CG C 13 23.75 . . 1 . . . . . . . . 4248 1 756 . 1 1 66 66 LEU HG H 1 1.38 . . 1 . . . . . . . . 4248 1 757 . 1 1 66 66 LEU CD1 C 13 22.4 . . 2 . . . . . . . . 4248 1 758 . 1 1 66 66 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 4248 1 759 . 1 1 66 66 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 4248 1 760 . 1 1 66 66 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 4248 1 761 . 1 1 66 66 LEU CD2 C 13 20.04 . . 2 . . . . . . . . 4248 1 762 . 1 1 66 66 LEU HD21 H 1 0.65 . . 2 . . . . . . . . 4248 1 763 . 1 1 66 66 LEU HD22 H 1 0.65 . . 2 . . . . . . . . 4248 1 764 . 1 1 66 66 LEU HD23 H 1 0.65 . . 2 . . . . . . . . 4248 1 765 . 1 1 67 67 TYR N N 15 116.39 . . 1 . . . . . . . . 4248 1 766 . 1 1 67 67 TYR H H 1 8.13 . . 1 . . . . . . . . 4248 1 767 . 1 1 67 67 TYR CA C 13 51.27 . . 1 . . . . . . . . 4248 1 768 . 1 1 67 67 TYR HA H 1 5.07 . . 1 . . . . . . . . 4248 1 769 . 1 1 67 67 TYR CB C 13 35.50 . . 1 . . . . . . . . 4248 1 770 . 1 1 67 67 TYR HB2 H 1 2.63 . . 1 . . . . . . . . 4248 1 771 . 1 1 67 67 TYR HB3 H 1 2.96 . . 1 . . . . . . . . 4248 1 772 . 1 1 67 67 TYR HD1 H 1 6.30 . . 3 . . . . . . . . 4248 1 773 . 1 1 67 67 TYR CD1 C 13 132.18 . . 3 . . . . . . . . 4248 1 774 . 1 1 67 67 TYR HE1 H 1 6.53 . . 3 . . . . . . . . 4248 1 775 . 1 1 67 67 TYR CE1 C 13 115.02 . . 3 . . . . . . . . 4248 1 776 . 1 1 67 67 TYR HH H 1 6.39 . . 1 . . . . . . . . 4248 1 777 . 1 1 68 68 PRO CA C 13 62.18 . . 1 . . . . . . . . 4248 1 778 . 1 1 68 68 PRO HA H 1 4.69 . . 1 . . . . . . . . 4248 1 779 . 1 1 68 68 PRO CB C 13 29.17 . . 1 . . . . . . . . 4248 1 780 . 1 1 68 68 PRO HB2 H 1 2.42 . . 2 . . . . . . . . 4248 1 781 . 1 1 68 68 PRO HB3 H 1 2.02 . . 2 . . . . . . . . 4248 1 782 . 1 1 68 68 PRO CG C 13 25.38 . . 1 . . . . . . . . 4248 1 783 . 1 1 68 68 PRO HG2 H 1 2.08 . . 2 . . . . . . . . 4248 1 784 . 1 1 68 68 PRO CD C 13 47.58 . . 1 . . . . . . . . 4248 1 785 . 1 1 68 68 PRO HD2 H 1 3.60 . . 2 . . . . . . . . 4248 1 786 . 1 1 68 68 PRO HD3 H 1 3.38 . . 2 . . . . . . . . 4248 1 787 . 1 1 69 69 GLY N N 15 109.62 . . 1 . . . . . . . . 4248 1 788 . 1 1 69 69 GLY H H 1 8.98 . . 1 . . . . . . . . 4248 1 789 . 1 1 69 69 GLY CA C 13 42.80 . . 1 . . . . . . . . 4248 1 790 . 1 1 69 69 GLY HA2 H 1 4.11 . . 2 . . . . . . . . 4248 1 791 . 1 1 69 69 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 4248 1 792 . 1 1 70 70 TRP N N 15 122.56 . . 1 . . . . . . . . 4248 1 793 . 1 1 70 70 TRP H H 1 7.95 . . 1 . . . . . . . . 4248 1 794 . 1 1 70 70 TRP CA C 13 57.71 . . 1 . . . . . . . . 4248 1 795 . 1 1 70 70 TRP HA H 1 4.26 . . 1 . . . . . . . . 4248 1 796 . 1 1 70 70 TRP CB C 13 27.11 . . 1 . . . . . . . . 4248 1 797 . 1 1 70 70 TRP HB2 H 1 3.47 . . 1 . . . . . . . . 4248 1 798 . 1 1 70 70 TRP HB3 H 1 3.62 . . 1 . . . . . . . . 4248 1 799 . 1 1 70 70 TRP NE1 N 15 128.77 . . 1 . . . . . . . . 4248 1 800 . 1 1 70 70 TRP HE1 H 1 9.49 . . 1 . . . . . . . . 4248 1 801 . 1 1 70 70 TRP HD1 H 1 7.36 . . 1 . . . . . . . . 4248 1 802 . 1 1 70 70 TRP CD1 C 13 126.07 . . 1 . . . . . . . . 4248 1 803 . 1 1 70 70 TRP HZ2 H 1 7.48 . . 1 . . . . . . . . 4248 1 804 . 1 1 70 70 TRP CZ2 C 13 112.26 . . 1 . . . . . . . . 4248 1 805 . 1 1 70 70 TRP HH2 H 1 7.27 . . 1 . . . . . . . . 4248 1 806 . 1 1 70 70 TRP CH2 C 13 121.72 . . 1 . . . . . . . . 4248 1 807 . 1 1 70 70 TRP HZ3 H 1 7.18 . . 1 . . . . . . . . 4248 1 808 . 1 1 70 70 TRP CZ3 C 13 120.35 . . 1 . . . . . . . . 4248 1 809 . 1 1 70 70 TRP HE3 H 1 7.58 . . 1 . . . . . . . . 4248 1 810 . 1 1 70 70 TRP CE3 C 13 118.53 . . 1 . . . . . . . . 4248 1 811 . 1 1 71 71 SER N N 15 120.21 . . 1 . . . . . . . . 4248 1 812 . 1 1 71 71 SER H H 1 6.90 . . 1 . . . . . . . . 4248 1 813 . 1 1 71 71 SER CA C 13 54.75 . . 1 . . . . . . . . 4248 1 814 . 1 1 71 71 SER HA H 1 4.11 . . 1 . . . . . . . . 4248 1 815 . 1 1 71 71 SER CB C 13 63.45 . . 1 . . . . . . . . 4248 1 816 . 1 1 71 71 SER HB2 H 1 3.56 . . 1 . . . . . . . . 4248 1 817 . 1 1 71 71 SER HB3 H 1 3.98 . . 1 . . . . . . . . 4248 1 818 . 1 1 72 72 ALA N N 15 124.91 . . 1 . . . . . . . . 4248 1 819 . 1 1 72 72 ALA H H 1 9.11 . . 1 . . . . . . . . 4248 1 820 . 1 1 72 72 ALA CA C 13 51.60 . . 1 . . . . . . . . 4248 1 821 . 1 1 72 72 ALA HA H 1 3.89 . . 1 . . . . . . . . 4248 1 822 . 1 1 72 72 ALA CB C 13 15.42 . . 1 . . . . . . . . 4248 1 823 . 1 1 72 72 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 4248 1 824 . 1 1 72 72 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 4248 1 825 . 1 1 72 72 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 4248 1 826 . 1 1 73 73 ARG N N 15 117.86 . . 1 . . . . . . . . 4248 1 827 . 1 1 73 73 ARG H H 1 7.94 . . 1 . . . . . . . . 4248 1 828 . 1 1 73 73 ARG CA C 13 56.60 . . 1 . . . . . . . . 4248 1 829 . 1 1 73 73 ARG HA H 1 3.87 . . 1 . . . . . . . . 4248 1 830 . 1 1 73 73 ARG CB C 13 28.12 . . 1 . . . . . . . . 4248 1 831 . 1 1 73 73 ARG HB2 H 1 1.67 . . 2 . . . . . . . . 4248 1 832 . 1 1 73 73 ARG CG C 13 24.55 . . 1 . . . . . . . . 4248 1 833 . 1 1 73 73 ARG HG2 H 1 1.69 . . 2 . . . . . . . . 4248 1 834 . 1 1 73 73 ARG HG3 H 1 1.59 . . 2 . . . . . . . . 4248 1 835 . 1 1 73 73 ARG CD C 13 41.14 . . 1 . . . . . . . . 4248 1 836 . 1 1 73 73 ARG HD2 H 1 3.22 . . 2 . . . . . . . . 4248 1 837 . 1 1 73 73 ARG HD3 H 1 3.19 . . 2 . . . . . . . . 4248 1 838 . 1 1 74 74 ASP N N 15 117.86 . . 1 . . . . . . . . 4248 1 839 . 1 1 74 74 ASP H H 1 7.27 . . 1 . . . . . . . . 4248 1 840 . 1 1 74 74 ASP CA C 13 55.7 . . 1 . . . . . . . . 4248 1 841 . 1 1 74 74 ASP HA H 1 4.21 . . 1 . . . . . . . . 4248 1 842 . 1 1 74 74 ASP CB C 13 36.90 . . 1 . . . . . . . . 4248 1 843 . 1 1 74 74 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4248 1 844 . 1 1 74 74 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 4248 1 845 . 1 1 75 75 ASN N N 15 113.75 . . 1 . . . . . . . . 4248 1 846 . 1 1 75 75 ASN H H 1 7.96 . . 1 . . . . . . . . 4248 1 847 . 1 1 75 75 ASN CA C 13 49.40 . . 1 . . . . . . . . 4248 1 848 . 1 1 75 75 ASN HA H 1 4.92 . . 1 . . . . . . . . 4248 1 849 . 1 1 75 75 ASN CB C 13 36.32 . . 1 . . . . . . . . 4248 1 850 . 1 1 75 75 ASN HB2 H 1 2.82 . . 1 . . . . . . . . 4248 1 851 . 1 1 75 75 ASN HB3 H 1 3.30 . . 1 . . . . . . . . 4248 1 852 . 1 1 76 76 TYR N N 15 121.68 . . 1 . . . . . . . . 4248 1 853 . 1 1 76 76 TYR H H 1 7.25 . . 1 . . . . . . . . 4248 1 854 . 1 1 76 76 TYR CA C 13 60.43 . . 1 . . . . . . . . 4248 1 855 . 1 1 76 76 TYR HA H 1 3.97 . . 1 . . . . . . . . 4248 1 856 . 1 1 76 76 TYR CB C 13 35.65 . . 1 . . . . . . . . 4248 1 857 . 1 1 76 76 TYR HB2 H 1 3.29 . . 2 . . . . . . . . 4248 1 858 . 1 1 76 76 TYR HB3 H 1 3.24 . . 2 . . . . . . . . 4248 1 859 . 1 1 76 76 TYR HD1 H 1 7.21 . . 3 . . . . . . . . 4248 1 860 . 1 1 76 76 TYR CD1 C 13 130.11 . . 3 . . . . . . . . 4248 1 861 . 1 1 76 76 TYR HE1 H 1 6.92 . . 3 . . . . . . . . 4248 1 862 . 1 1 76 76 TYR CE1 C 13 116.84 . . 3 . . . . . . . . 4248 1 863 . 1 1 77 77 GLY N N 15 117.27 . . 1 . . . . . . . . 4248 1 864 . 1 1 77 77 GLY H H 1 7.51 . . 1 . . . . . . . . 4248 1 865 . 1 1 77 77 GLY CA C 13 43.88 . . 1 . . . . . . . . 4248 1 866 . 1 1 77 77 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 4248 1 867 . 1 1 77 77 GLY HA3 H 1 3.69 . . 2 . . . . . . . . 4248 1 868 . 1 1 78 78 LYS N N 15 119.33 . . 1 . . . . . . . . 4248 1 869 . 1 1 78 78 LYS H H 1 7.92 . . 1 . . . . . . . . 4248 1 870 . 1 1 78 78 LYS CA C 13 54.65 . . 1 . . . . . . . . 4248 1 871 . 1 1 78 78 LYS HA H 1 4.27 . . 1 . . . . . . . . 4248 1 872 . 1 1 78 78 LYS CB C 13 30.20 . . 1 . . . . . . . . 4248 1 873 . 1 1 78 78 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 4248 1 874 . 1 1 78 78 LYS CG C 13 22.93 . . 1 . . . . . . . . 4248 1 875 . 1 1 78 78 LYS HG2 H 1 1.59 . . 2 . . . . . . . . 4248 1 876 . 1 1 78 78 LYS HG3 H 1 1.28 . . 2 . . . . . . . . 4248 1 877 . 1 1 78 78 LYS CD C 13 26.15 . . 1 . . . . . . . . 4248 1 878 . 1 1 78 78 LYS HD2 H 1 1.72 . . 2 . . . . . . . . 4248 1 879 . 1 1 78 78 LYS CE C 13 40.23 . . 1 . . . . . . . . 4248 1 880 . 1 1 78 78 LYS HE2 H 1 3.14 . . 2 . . . . . . . . 4248 1 881 . 1 1 79 79 LYS N N 15 121.09 . . 1 . . . . . . . . 4248 1 882 . 1 1 79 79 LYS H H 1 8.79 . . 1 . . . . . . . . 4248 1 883 . 1 1 79 79 LYS CA C 13 54.75 . . 1 . . . . . . . . 4248 1 884 . 1 1 79 79 LYS HA H 1 4.34 . . 1 . . . . . . . . 4248 1 885 . 1 1 79 79 LYS CB C 13 29.60 . . 1 . . . . . . . . 4248 1 886 . 1 1 79 79 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 4248 1 887 . 1 1 79 79 LYS CG C 13 22.48 . . 1 . . . . . . . . 4248 1 888 . 1 1 79 79 LYS HG2 H 1 1.66 . . 2 . . . . . . . . 4248 1 889 . 1 1 79 79 LYS HG3 H 1 1.53 . . 2 . . . . . . . . 4248 1 890 . 1 1 79 79 LYS CD C 13 26.52 . . 1 . . . . . . . . 4248 1 891 . 1 1 79 79 LYS HD2 H 1 1.90 . . 2 . . . . . . . . 4248 1 892 . 1 1 79 79 LYS CE C 13 39.87 . . 1 . . . . . . . . 4248 1 893 . 1 1 79 79 LYS HE2 H 1 3.17 . . 2 . . . . . . . . 4248 1 894 . 1 1 80 80 LYS N N 15 122.26 . . 1 . . . . . . . . 4248 1 895 . 1 1 80 80 LYS H H 1 8.18 . . 1 . . . . . . . . 4248 1 896 . 1 1 80 80 LYS CA C 13 54.04 . . 1 . . . . . . . . 4248 1 897 . 1 1 80 80 LYS HA H 1 4.37 . . 1 . . . . . . . . 4248 1 898 . 1 1 80 80 LYS CB C 13 30.57 . . 1 . . . . . . . . 4248 1 899 . 1 1 80 80 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4248 1 900 . 1 1 80 80 LYS CG C 13 22.19 . . 1 . . . . . . . . 4248 1 901 . 1 1 80 80 LYS HG2 H 1 1.51 . . 2 . . . . . . . . 4248 1 902 . 1 1 80 80 LYS CD C 13 26.61 . . 1 . . . . . . . . 4248 1 903 . 1 1 80 80 LYS HD2 H 1 1.88 . . 2 . . . . . . . . 4248 1 904 . 1 1 80 80 LYS CE C 13 39.98 . . 1 . . . . . . . . 4248 1 905 . 1 1 80 80 LYS HE2 H 1 3.09 . . 2 . . . . . . . . 4248 1 906 . 1 1 81 81 LYS N N 15 122.85 . . 1 . . . . . . . . 4248 1 907 . 1 1 81 81 LYS H H 1 8.47 . . 1 . . . . . . . . 4248 1 908 . 1 1 81 81 LYS CA C 13 53.91 . . 1 . . . . . . . . 4248 1 909 . 1 1 81 81 LYS HA H 1 4.35 . . 1 . . . . . . . . 4248 1 910 . 1 1 81 81 LYS CB C 13 30.20 . . 1 . . . . . . . . 4248 1 911 . 1 1 81 81 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4248 1 912 . 1 1 81 81 LYS CG C 13 22.10 . . 1 . . . . . . . . 4248 1 913 . 1 1 81 81 LYS HG2 H 1 1.51 . . 2 . . . . . . . . 4248 1 914 . 1 1 81 81 LYS CD C 13 26.49 . . 1 . . . . . . . . 4248 1 915 . 1 1 81 81 LYS HD2 H 1 1.88 . . 2 . . . . . . . . 4248 1 916 . 1 1 81 81 LYS CE C 13 39.94 . . 1 . . . . . . . . 4248 1 917 . 1 1 81 81 LYS HE2 H 1 3.09 . . 2 . . . . . . . . 4248 1 918 . 1 1 82 82 ARG N N 15 122.26 . . 1 . . . . . . . . 4248 1 919 . 1 1 82 82 ARG H H 1 8.30 . . 1 . . . . . . . . 4248 1 920 . 1 1 82 82 ARG CA C 13 53.95 . . 1 . . . . . . . . 4248 1 921 . 1 1 82 82 ARG HA H 1 4.37 . . 1 . . . . . . . . 4248 1 922 . 1 1 82 82 ARG CB C 13 28.36 . . 1 . . . . . . . . 4248 1 923 . 1 1 82 82 ARG HB2 H 1 1.89 . . 2 . . . . . . . . 4248 1 924 . 1 1 82 82 ARG CG C 13 24.65 . . 1 . . . . . . . . 4248 1 925 . 1 1 82 82 ARG HG2 H 1 1.76 . . 2 . . . . . . . . 4248 1 926 . 1 1 82 82 ARG CD C 13 41.28 . . 1 . . . . . . . . 4248 1 927 . 1 1 82 82 ARG HD2 H 1 3.31 . . 2 . . . . . . . . 4248 1 928 . 1 1 83 83 LYS N N 15 122.85 . . 1 . . . . . . . . 4248 1 929 . 1 1 83 83 LYS H H 1 8.41 . . 1 . . . . . . . . 4248 1 930 . 1 1 83 83 LYS CA C 13 53.71 . . 1 . . . . . . . . 4248 1 931 . 1 1 83 83 LYS HA H 1 4.51 . . 1 . . . . . . . . 4248 1 932 . 1 1 83 83 LYS CB C 13 30.90 . . 1 . . . . . . . . 4248 1 933 . 1 1 83 83 LYS HB2 H 1 1.91 . . 2 . . . . . . . . 4248 1 934 . 1 1 83 83 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 4248 1 935 . 1 1 83 83 LYS CG C 13 22.12 . . 1 . . . . . . . . 4248 1 936 . 1 1 83 83 LYS HG2 H 1 1.56 . . 2 . . . . . . . . 4248 1 937 . 1 1 83 83 LYS CD C 13 26.54 . . 1 . . . . . . . . 4248 1 938 . 1 1 83 83 LYS HD2 H 1 1.81 . . 2 . . . . . . . . 4248 1 939 . 1 1 83 83 LYS CE C 13 39.95 . . 1 . . . . . . . . 4248 1 940 . 1 1 83 83 LYS HE2 H 1 3.13 . . 2 . . . . . . . . 4248 1 941 . 1 1 84 84 ARG N N 15 122.56 . . 1 . . . . . . . . 4248 1 942 . 1 1 84 84 ARG H H 1 8.67 . . 1 . . . . . . . . 4248 1 943 . 1 1 84 84 ARG CA C 13 53.91 . . 1 . . . . . . . . 4248 1 944 . 1 1 84 84 ARG HA H 1 4.42 . . 1 . . . . . . . . 4248 1 945 . 1 1 84 84 ARG CB C 13 28.53 . . 1 . . . . . . . . 4248 1 946 . 1 1 84 84 ARG HB2 H 1 1.91 . . 2 . . . . . . . . 4248 1 947 . 1 1 84 84 ARG HB3 H 1 1.85 . . 2 . . . . . . . . 4248 1 948 . 1 1 84 84 ARG CG C 13 24.62 . . 1 . . . . . . . . 4248 1 949 . 1 1 84 84 ARG HG2 H 1 1.71 . . 2 . . . . . . . . 4248 1 950 . 1 1 84 84 ARG CD C 13 40.14 . . 1 . . . . . . . . 4248 1 951 . 1 1 84 84 ARG HD2 H 1 3.29 . . 2 . . . . . . . . 4248 1 952 . 1 1 85 85 GLU N N 15 122.56 . . 1 . . . . . . . . 4248 1 953 . 1 1 85 85 GLU H H 1 8.49 . . 1 . . . . . . . . 4248 1 954 . 1 1 85 85 GLU CA C 13 54.26 . . 1 . . . . . . . . 4248 1 955 . 1 1 85 85 GLU HA H 1 4.36 . . 1 . . . . . . . . 4248 1 956 . 1 1 85 85 GLU CB C 13 28.01 . . 1 . . . . . . . . 4248 1 957 . 1 1 85 85 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 4248 1 958 . 1 1 85 85 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 4248 1 959 . 1 1 85 85 GLU CG C 13 33.84 . . 1 . . . . . . . . 4248 1 960 . 1 1 85 85 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 4248 1 961 . 1 1 86 86 LYS N N 15 126.67 . . 1 . . . . . . . . 4248 1 962 . 1 1 86 86 LYS H H 1 7.95 . . 1 . . . . . . . . 4248 1 963 . 1 1 86 86 LYS CA C 13 55.62 . . 1 . . . . . . . . 4248 1 964 . 1 1 86 86 LYS HA H 1 4.20 . . 1 . . . . . . . . 4248 1 965 . 1 1 86 86 LYS CB C 13 31.40 . . 1 . . . . . . . . 4248 1 966 . 1 1 86 86 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4248 1 967 . 1 1 86 86 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 4248 1 968 . 1 1 86 86 LYS CG C 13 22.13 . . 1 . . . . . . . . 4248 1 969 . 1 1 86 86 LYS HG2 H 1 1.44 . . 2 . . . . . . . . 4248 1 970 . 1 1 86 86 LYS CD C 13 26.58 . . 1 . . . . . . . . 4248 1 971 . 1 1 86 86 LYS HD2 H 1 1.73 . . 2 . . . . . . . . 4248 1 972 . 1 1 86 86 LYS CE C 13 39.94 . . 1 . . . . . . . . 4248 1 973 . 1 1 86 86 LYS HE2 H 1 3.05 . . 2 . . . . . . . . 4248 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4248 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4248 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 DC H1' H 1 5.726 . . 1 . . . . . . . . 4248 2 2 . 2 2 1 1 DC H2'' H 1 1.900 . . 1 . . . . . . . . 4248 2 3 . 2 2 1 1 DC H2' H 1 2.415 . . 1 . . . . . . . . 4248 2 4 . 2 2 1 1 DC H3' H 1 4.437 . . 1 . . . . . . . . 4248 2 5 . 2 2 1 1 DC H4' H 1 4.087 . . 1 . . . . . . . . 4248 2 6 . 2 2 1 1 DC H5' H 1 3.777 . . 1 . . . . . . . . 4248 2 7 . 2 2 1 1 DC H5'' H 1 3.753 . . 1 . . . . . . . . 4248 2 8 . 2 2 1 1 DC H5 H 1 5.990 . . 1 . . . . . . . . 4248 2 9 . 2 2 1 1 DC H6 H 1 7.701 . . 1 . . . . . . . . 4248 2 10 . 2 2 2 2 DA H1' H 1 6.240 . . 1 . . . . . . . . 4248 2 11 . 2 2 2 2 DA H2'' H 1 2.820 . . 1 . . . . . . . . 4248 2 12 . 2 2 2 2 DA H2' H 1 2.909 . . 1 . . . . . . . . 4248 2 13 . 2 2 2 2 DA H3' H 1 5.504 . . 1 . . . . . . . . 4248 2 14 . 2 2 2 2 DA H4' H 1 4.439 . . 1 . . . . . . . . 4248 2 15 . 2 2 2 2 DA H5' H 1 4.179 . . 1 . . . . . . . . 4248 2 16 . 2 2 2 2 DA H5'' H 1 4.067 . . 1 . . . . . . . . 4248 2 17 . 2 2 2 2 DA H2 H 1 7.938 . . 1 . . . . . . . . 4248 2 18 . 2 2 2 2 DA H8 H 1 8.382 . . 1 . . . . . . . . 4248 2 19 . 2 2 3 3 DC H1' H 1 5.944 . . 1 . . . . . . . . 4248 2 20 . 2 2 3 3 DC H2'' H 1 2.195 . . 1 . . . . . . . . 4248 2 21 . 2 2 3 3 DC H2' H 1 2.501 . . 1 . . . . . . . . 4248 2 22 . 2 2 3 3 DC H3' H 1 4.797 . . 1 . . . . . . . . 4248 2 23 . 2 2 3 3 DC H4' H 1 4.240 . . 1 . . . . . . . . 4248 2 24 . 2 2 3 3 DC H5' H 1 3.602 . . 1 . . . . . . . . 4248 2 25 . 2 2 3 3 DC H5 H 1 5.325 . . 1 . . . . . . . . 4248 2 26 . 2 2 3 3 DC H6 H 1 7.387 . . 1 . . . . . . . . 4248 2 27 . 2 2 4 4 DC H1' H 1 5.982 . . 1 . . . . . . . . 4248 2 28 . 2 2 4 4 DC H2'' H 1 2.133 . . 1 . . . . . . . . 4248 2 29 . 2 2 4 4 DC H2' H 1 2.541 . . 1 . . . . . . . . 4248 2 30 . 2 2 4 4 DC H3' H 1 4.875 . . 1 . . . . . . . . 4248 2 31 . 2 2 4 4 DC H4' H 1 4.177 . . 1 . . . . . . . . 4248 2 32 . 2 2 4 4 DC H5 H 1 5.416 . . 1 . . . . . . . . 4248 2 33 . 2 2 4 4 DC H6 H 1 7.531 . . 1 . . . . . . . . 4248 2 34 . 2 2 5 5 DC H1' H 1 6.046 . . 1 . . . . . . . . 4248 2 35 . 2 2 5 5 DC H2'' H 1 2.400 . . 1 . . . . . . . . 4248 2 36 . 2 2 5 5 DC H2' H 1 1.950 . . 1 . . . . . . . . 4248 2 37 . 2 2 5 5 DC H3' H 1 4.893 . . 1 . . . . . . . . 4248 2 38 . 2 2 5 5 DC H4' H 1 4.048 . . 1 . . . . . . . . 4248 2 39 . 2 2 5 5 DC H5 H 1 5.715 . . 1 . . . . . . . . 4248 2 40 . 2 2 5 5 DC H6 H 1 7.515 . . 1 . . . . . . . . 4248 2 41 . 2 2 6 6 DT H1' H 1 6.325 . . 1 . . . . . . . . 4248 2 42 . 2 2 6 6 DT H2'' H 1 2.268 . . 1 . . . . . . . . 4248 2 43 . 2 2 6 6 DT H2' H 1 1.898 . . 1 . . . . . . . . 4248 2 44 . 2 2 6 6 DT H3' H 1 5.022 . . 1 . . . . . . . . 4248 2 45 . 2 2 6 6 DT H4' H 1 3.676 . . 1 . . . . . . . . 4248 2 46 . 2 2 6 6 DT H5' H 1 3.993 . . 2 . . . . . . . . 4248 2 47 . 2 2 6 6 DT H5'' H 1 4.132 . . 2 . . . . . . . . 4248 2 48 . 2 2 6 6 DT H6 H 1 7.334 . . 1 . . . . . . . . 4248 2 49 . 2 2 6 6 DT H71 H 1 2.028 . . 1 . . . . . . . . 4248 2 50 . 2 2 6 6 DT H72 H 1 2.028 . . 1 . . . . . . . . 4248 2 51 . 2 2 6 6 DT H73 H 1 2.028 . . 1 . . . . . . . . 4248 2 52 . 2 2 7 7 DT H1' H 1 6.202 . . 1 . . . . . . . . 4248 2 53 . 2 2 7 7 DT H2'' H 1 1.683 . . 1 . . . . . . . . 4248 2 54 . 2 2 7 7 DT H2' H 1 1.411 . . 1 . . . . . . . . 4248 2 55 . 2 2 7 7 DT H3' H 1 4.835 . . 1 . . . . . . . . 4248 2 56 . 2 2 7 7 DT H4' H 1 3.917 . . 1 . . . . . . . . 4248 2 57 . 2 2 7 7 DT H5' H 1 4.219 . . 2 . . . . . . . . 4248 2 58 . 2 2 7 7 DT H5'' H 1 4.061 . . 2 . . . . . . . . 4248 2 59 . 2 2 7 7 DT H6 H 1 7.022 . . 1 . . . . . . . . 4248 2 60 . 2 2 7 7 DT H71 H 1 1.976 . . 1 . . . . . . . . 4248 2 61 . 2 2 7 7 DT H72 H 1 1.976 . . 1 . . . . . . . . 4248 2 62 . 2 2 7 7 DT H73 H 1 1.976 . . 1 . . . . . . . . 4248 2 63 . 2 2 8 8 DT H1' H 1 5.465 . . 1 . . . . . . . . 4248 2 64 . 2 2 8 8 DT H2'' H 1 2.563 . . 1 . . . . . . . . 4248 2 65 . 2 2 8 8 DT H2' H 1 2.129 . . 1 . . . . . . . . 4248 2 66 . 2 2 8 8 DT H3' H 1 4.799 . . 1 . . . . . . . . 4248 2 67 . 2 2 8 8 DT H4' H 1 3.833 . . 1 . . . . . . . . 4248 2 68 . 2 2 8 8 DT H6 H 1 7.247 . . 1 . . . . . . . . 4248 2 69 . 2 2 8 8 DT H71 H 1 1.909 . . 1 . . . . . . . . 4248 2 70 . 2 2 8 8 DT H72 H 1 1.909 . . 1 . . . . . . . . 4248 2 71 . 2 2 8 8 DT H73 H 1 1.909 . . 1 . . . . . . . . 4248 2 72 . 2 2 9 9 DG H1' H 1 5.533 . . 1 . . . . . . . . 4248 2 73 . 2 2 9 9 DG H2'' H 1 2.857 . . 1 . . . . . . . . 4248 2 74 . 2 2 9 9 DG H2' H 1 2.772 . . 1 . . . . . . . . 4248 2 75 . 2 2 9 9 DG H3' H 1 5.366 . . 1 . . . . . . . . 4248 2 76 . 2 2 9 9 DG H4' H 1 3.829 . . 1 . . . . . . . . 4248 2 77 . 2 2 9 9 DG H5' H 1 4.493 . . 2 . . . . . . . . 4248 2 78 . 2 2 9 9 DG H5'' H 1 3.620 . . 2 . . . . . . . . 4248 2 79 . 2 2 9 9 DG H8 H 1 8.015 . . 1 . . . . . . . . 4248 2 80 . 2 2 10 10 DA H1' H 1 6.298 . . 1 . . . . . . . . 4248 2 81 . 2 2 10 10 DA H2'' H 1 3.125 . . 1 . . . . . . . . 4248 2 82 . 2 2 10 10 DA H2' H 1 2.958 . . 1 . . . . . . . . 4248 2 83 . 2 2 10 10 DA H3' H 1 5.198 . . 1 . . . . . . . . 4248 2 84 . 2 2 10 10 DA H4' H 1 4.476 . . 1 . . . . . . . . 4248 2 85 . 2 2 10 10 DA H5' H 1 4.014 . . 2 . . . . . . . . 4248 2 86 . 2 2 10 10 DA H2 H 1 7.513 . . 1 . . . . . . . . 4248 2 87 . 2 2 10 10 DA H8 H 1 8.233 . . 1 . . . . . . . . 4248 2 88 . 2 2 11 11 DA H1' H 1 5.781 . . 1 . . . . . . . . 4248 2 89 . 2 2 11 11 DA H2' H 1 2.784 . . 1 . . . . . . . . 4248 2 90 . 2 2 11 11 DA H2'' H 1 2.471 . . 1 . . . . . . . . 4248 2 91 . 2 2 11 11 DA H3' H 1 5.108 . . 1 . . . . . . . . 4248 2 92 . 2 2 11 11 DA H4' H 1 4.461 . . 1 . . . . . . . . 4248 2 93 . 2 2 11 11 DA H2 H 1 7.395 . . 1 . . . . . . . . 4248 2 94 . 2 2 11 11 DA H8 H 1 8.000 . . 1 . . . . . . . . 4248 2 95 . 2 2 12 12 DG H1' H 1 5.473 . . 1 . . . . . . . . 4248 2 96 . 2 2 12 12 DG H2' H 1 2.379 . . 1 . . . . . . . . 4248 2 97 . 2 2 12 12 DG H2'' H 1 1.160 . . 1 . . . . . . . . 4248 2 98 . 2 2 12 12 DG H3' H 1 4.244 . . 1 . . . . . . . . 4248 2 99 . 2 2 12 12 DG H4' H 1 3.604 . . 1 . . . . . . . . 4248 2 100 . 2 2 12 12 DG H5' H 1 2.901 . . 2 . . . . . . . . 4248 2 101 . 2 2 12 12 DG H8 H 1 7.341 . . 1 . . . . . . . . 4248 2 102 . 2 2 13 13 DC H1' H 1 5.866 . . 1 . . . . . . . . 4248 2 103 . 2 2 13 13 DC H2'' H 1 2.517 . . 1 . . . . . . . . 4248 2 104 . 2 2 13 13 DC H2' H 1 2.212 . . 1 . . . . . . . . 4248 2 105 . 2 2 13 13 DC H3' H 1 4.649 . . 1 . . . . . . . . 4248 2 106 . 2 2 13 13 DC H4' H 1 4.144 . . 1 . . . . . . . . 4248 2 107 . 2 2 13 13 DC H5' H 1 3.962 . . 2 . . . . . . . . 4248 2 108 . 2 2 13 13 DC H5'' H 1 3.533 . . 2 . . . . . . . . 4248 2 109 . 2 2 13 13 DC H5 H 1 4.870 . . 1 . . . . . . . . 4248 2 110 . 2 2 13 13 DC H6 H 1 7.324 . . 1 . . . . . . . . 4248 2 111 . 2 2 14 14 DT H1' H 1 6.237 . . 1 . . . . . . . . 4248 2 112 . 2 2 14 14 DT H2'' H 1 2.595 . . 1 . . . . . . . . 4248 2 113 . 2 2 14 14 DT H2' H 1 2.269 . . 1 . . . . . . . . 4248 2 114 . 2 2 14 14 DT H3' H 1 4.923 . . 1 . . . . . . . . 4248 2 115 . 2 2 14 14 DT H4' H 1 4.260 . . 1 . . . . . . . . 4248 2 116 . 2 2 14 14 DT H6 H 1 7.619 . . 1 . . . . . . . . 4248 2 117 . 2 2 14 14 DT H71 H 1 1.590 . . 1 . . . . . . . . 4248 2 118 . 2 2 14 14 DT H72 H 1 1.590 . . 1 . . . . . . . . 4248 2 119 . 2 2 14 14 DT H73 H 1 1.590 . . 1 . . . . . . . . 4248 2 120 . 2 2 15 15 DC H1' H 1 6.337 . . 1 . . . . . . . . 4248 2 121 . 2 2 15 15 DC H2' H 1 2.319 . . 1 . . . . . . . . 4248 2 122 . 2 2 15 15 DC H2'' H 1 2.319 . . 1 . . . . . . . . 4248 2 123 . 2 2 15 15 DC H3' H 1 4.606 . . 1 . . . . . . . . 4248 2 124 . 2 2 15 15 DC H4' H 1 4.072 . . 1 . . . . . . . . 4248 2 125 . 2 2 15 15 DC H5' H 1 4.221 . . 2 . . . . . . . . 4248 2 126 . 2 2 15 15 DC H5 H 1 5.875 . . 1 . . . . . . . . 4248 2 127 . 2 2 15 15 DC H6 H 1 7.726 . . 1 . . . . . . . . 4248 2 stop_ save_ save_assigned_chemical_shifts_three _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_three _Assigned_chem_shift_list.Entry_ID 4248 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4248 3 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 . 3 3 1 1 DG H1' H 1 5.584 . . 1 . . . . . . . . 4248 3 2 . 3 3 1 1 DG H2'' H 1 2.655 . . 1 . . . . . . . . 4248 3 3 . 3 3 1 1 DG H2' H 1 2.438 . . 1 . . . . . . . . 4248 3 4 . 3 3 1 1 DG H3' H 1 4.831 . . 1 . . . . . . . . 4248 3 5 . 3 3 1 1 DG H4' H 1 4.179 . . 1 . . . . . . . . 4248 3 6 . 3 3 1 1 DG H5' H 1 3.676 . . 2 . . . . . . . . 4248 3 7 . 3 3 1 1 DG H8 H 1 7.862 . . 1 . . . . . . . . 4248 3 8 . 3 3 2 2 DA H1' H 1 6.012 . . 1 . . . . . . . . 4248 3 9 . 3 3 2 2 DA H2'' H 1 2.900 . . 1 . . . . . . . . 4248 3 10 . 3 3 2 2 DA H2' H 1 2.735 . . 1 . . . . . . . . 4248 3 11 . 3 3 2 2 DA H3' H 1 5.066 . . 1 . . . . . . . . 4248 3 12 . 3 3 2 2 DA H4' H 1 4.431 . . 1 . . . . . . . . 4248 3 13 . 3 3 2 2 DA H2 H 1 7.944 . . 1 . . . . . . . . 4248 3 14 . 3 3 2 2 DA H8 H 1 8.172 . . 1 . . . . . . . . 4248 3 15 . 3 3 3 3 DG H1' H 1 5.882 . . 1 . . . . . . . . 4248 3 16 . 3 3 3 3 DG H2' H 1 2.722 . . 1 . . . . . . . . 4248 3 17 . 3 3 3 3 DG H2'' H 1 2.586 . . 1 . . . . . . . . 4248 3 18 . 3 3 3 3 DG H3' H 1 4.991 . . 1 . . . . . . . . 4248 3 19 . 3 3 3 3 DG H4' H 1 4.443 . . 1 . . . . . . . . 4248 3 20 . 3 3 3 3 DG H5' H 1 4.334 . . 2 . . . . . . . . 4248 3 21 . 3 3 3 3 DG H8 H 1 7.722 . . 1 . . . . . . . . 4248 3 22 . 3 3 4 4 DC H1' H 1 5.973 . . 1 . . . . . . . . 4248 3 23 . 3 3 4 4 DC H2'' H 1 2.659 . . 1 . . . . . . . . 4248 3 24 . 3 3 4 4 DC H2' H 1 2.124 . . 1 . . . . . . . . 4248 3 25 . 3 3 4 4 DC H3' H 1 4.341 . . 1 . . . . . . . . 4248 3 26 . 3 3 4 4 DC H5 H 1 5.212 . . 1 . . . . . . . . 4248 3 27 . 3 3 4 4 DC H6 H 1 7.289 . . 1 . . . . . . . . 4248 3 28 . 3 3 5 5 DT H1' H 1 6.220 . . 1 . . . . . . . . 4248 3 29 . 3 3 5 5 DT H2'' H 1 2.668 . . 1 . . . . . . . . 4248 3 30 . 3 3 5 5 DT H2' H 1 2.280 . . 1 . . . . . . . . 4248 3 31 . 3 3 5 5 DT H3' H 1 4.986 . . 1 . . . . . . . . 4248 3 32 . 3 3 5 5 DT H4' H 1 4.359 . . 1 . . . . . . . . 4248 3 33 . 3 3 5 5 DT H6 H 1 7.565 . . 1 . . . . . . . . 4248 3 34 . 3 3 5 5 DT H71 H 1 1.638 . . 1 . . . . . . . . 4248 3 35 . 3 3 5 5 DT H72 H 1 1.638 . . 1 . . . . . . . . 4248 3 36 . 3 3 5 5 DT H73 H 1 1.638 . . 1 . . . . . . . . 4248 3 37 . 3 3 6 6 DT H1' H 1 5.800 . . 1 . . . . . . . . 4248 3 38 . 3 3 6 6 DT H2'' H 1 2.332 . . 1 . . . . . . . . 4248 3 39 . 3 3 6 6 DT H2' H 1 2.155 . . 1 . . . . . . . . 4248 3 40 . 3 3 6 6 DT H3' H 1 4.888 . . 1 . . . . . . . . 4248 3 41 . 3 3 6 6 DT H4' H 1 2.242 . . 1 . . . . . . . . 4248 3 42 . 3 3 6 6 DT H6 H 1 7.421 . . 1 . . . . . . . . 4248 3 43 . 3 3 6 6 DT H71 H 1 1.688 . . 1 . . . . . . . . 4248 3 44 . 3 3 6 6 DT H72 H 1 1.688 . . 1 . . . . . . . . 4248 3 45 . 3 3 6 6 DT H73 H 1 1.688 . . 1 . . . . . . . . 4248 3 46 . 3 3 7 7 DC H1' H 1 5.350 . . 1 . . . . . . . . 4248 3 47 . 3 3 7 7 DC H2' H 1 2.804 . . 2 . . . . . . . . 4248 3 48 . 3 3 7 7 DC H2'' H 1 2.043 . . 2 . . . . . . . . 4248 3 49 . 3 3 7 7 DC H3' H 1 5.276 . . 1 . . . . . . . . 4248 3 50 . 3 3 7 7 DC H4' H 1 4.575 . . 1 . . . . . . . . 4248 3 51 . 3 3 7 7 DC H5' H 1 4.390 . . 2 . . . . . . . . 4248 3 52 . 3 3 7 7 DC H5'' H 1 3.807 . . 2 . . . . . . . . 4248 3 53 . 3 3 7 7 DC H5 H 1 5.970 . . 1 . . . . . . . . 4248 3 54 . 3 3 7 7 DC H6 H 1 7.892 . . 1 . . . . . . . . 4248 3 55 . 3 3 8 8 DA H1' H 1 6.054 . . 1 . . . . . . . . 4248 3 56 . 3 3 8 8 DA H2'' H 1 2.230 . . 1 . . . . . . . . 4248 3 57 . 3 3 8 8 DA H2' H 1 1.699 . . 1 . . . . . . . . 4248 3 58 . 3 3 8 8 DA H3' H 1 4.890 . . 1 . . . . . . . . 4248 3 59 . 3 3 8 8 DA H4' H 1 4.215 . . 1 . . . . . . . . 4248 3 60 . 3 3 8 8 DA H2 H 1 7.720 . . 1 . . . . . . . . 4248 3 61 . 3 3 8 8 DA H8 H 1 8.393 . . 1 . . . . . . . . 4248 3 62 . 3 3 9 9 DA H1' H 1 5.707 . . 1 . . . . . . . . 4248 3 63 . 3 3 9 9 DA H2' H 1 2.664 . . 1 . . . . . . . . 4248 3 64 . 3 3 9 9 DA H2'' H 1 2.584 . . 1 . . . . . . . . 4248 3 65 . 3 3 9 9 DA H3' H 1 4.946 . . 1 . . . . . . . . 4248 3 66 . 3 3 9 9 DA H4' H 1 4.081 . . 1 . . . . . . . . 4248 3 67 . 3 3 9 9 DA H5' H 1 3.460 . . 2 . . . . . . . . 4248 3 68 . 3 3 9 9 DA H2 H 1 7.583 . . 1 . . . . . . . . 4248 3 69 . 3 3 9 9 DA H8 H 1 8.316 . . 1 . . . . . . . . 4248 3 70 . 3 3 10 10 DA H1' H 1 5.457 . . 1 . . . . . . . . 4248 3 71 . 3 3 10 10 DA H2' H 1 2.544 . . 1 . . . . . . . . 4248 3 72 . 3 3 10 10 DA H2'' H 1 2.544 . . 1 . . . . . . . . 4248 3 73 . 3 3 10 10 DA H3' H 1 4.959 . . 1 . . . . . . . . 4248 3 74 . 3 3 10 10 DA H4' H 1 3.782 . . 1 . . . . . . . . 4248 3 75 . 3 3 10 10 DA H5' H 1 4.011 . . 2 . . . . . . . . 4248 3 76 . 3 3 10 10 DA H2 H 1 7.432 . . 1 . . . . . . . . 4248 3 77 . 3 3 10 10 DA H8 H 1 8.159 . . 1 . . . . . . . . 4248 3 78 . 3 3 11 11 DG H1' H 1 5.332 . . 1 . . . . . . . . 4248 3 79 . 3 3 11 11 DG H2' H 1 2.764 . . 1 . . . . . . . . 4248 3 80 . 3 3 11 11 DG H2'' H 1 2.764 . . 1 . . . . . . . . 4248 3 81 . 3 3 11 11 DG H3' H 1 4.971 . . 1 . . . . . . . . 4248 3 82 . 3 3 11 11 DG H4' H 1 4.423 . . 1 . . . . . . . . 4248 3 83 . 3 3 11 11 DG H5' H 1 3.866 . . 2 . . . . . . . . 4248 3 84 . 3 3 11 11 DG H8 H 1 7.836 . . 1 . . . . . . . . 4248 3 85 . 3 3 12 12 DG H1' H 1 5.995 . . 1 . . . . . . . . 4248 3 86 . 3 3 12 12 DG H2' H 1 2.909 . . 2 . . . . . . . . 4248 3 87 . 3 3 12 12 DG H2'' H 1 2.714 . . 2 . . . . . . . . 4248 3 88 . 3 3 12 12 DG H3' H 1 5.043 . . 1 . . . . . . . . 4248 3 89 . 3 3 12 12 DG H4' H 1 4.274 . . 1 . . . . . . . . 4248 3 90 . 3 3 12 12 DG H5' H 1 3.988 . . 2 . . . . . . . . 4248 3 91 . 3 3 12 12 DG H8 H 1 7.828 . . 1 . . . . . . . . 4248 3 92 . 3 3 13 13 DG H1' H 1 5.950 . . 1 . . . . . . . . 4248 3 93 . 3 3 13 13 DG H2' H 1 2.772 . . 2 . . . . . . . . 4248 3 94 . 3 3 13 13 DG H2'' H 1 2.508 . . 2 . . . . . . . . 4248 3 95 . 3 3 13 13 DG H3' H 1 4.938 . . 1 . . . . . . . . 4248 3 96 . 3 3 13 13 DG H4' H 1 4.395 . . 1 . . . . . . . . 4248 3 97 . 3 3 13 13 DG H8 H 1 7.634 . . 1 . . . . . . . . 4248 3 98 . 3 3 14 14 DT H1' H 1 5.895 . . 1 . . . . . . . . 4248 3 99 . 3 3 14 14 DT H2' H 1 2.394 . . 2 . . . . . . . . 4248 3 100 . 3 3 14 14 DT H2'' H 1 1.970 . . 2 . . . . . . . . 4248 3 101 . 3 3 14 14 DT H3' H 1 4.876 . . 1 . . . . . . . . 4248 3 102 . 3 3 14 14 DT H4' H 1 4.181 . . 1 . . . . . . . . 4248 3 103 . 3 3 14 14 DT H6 H 1 7.175 . . 1 . . . . . . . . 4248 3 104 . 3 3 14 14 DT H71 H 1 1.476 . . 1 . . . . . . . . 4248 3 105 . 3 3 14 14 DT H72 H 1 1.476 . . 1 . . . . . . . . 4248 3 106 . 3 3 14 14 DT H73 H 1 1.476 . . 1 . . . . . . . . 4248 3 107 . 3 3 15 15 DG H1' H 1 6.194 . . 1 . . . . . . . . 4248 3 108 . 3 3 15 15 DG H2' H 1 2.633 . . 1 . . . . . . . . 4248 3 109 . 3 3 15 15 DG H2'' H 1 2.400 . . 1 . . . . . . . . 4248 3 110 . 3 3 15 15 DG H3' H 1 4.703 . . 1 . . . . . . . . 4248 3 111 . 3 3 15 15 DG H4' H 1 4.189 . . 1 . . . . . . . . 4248 3 112 . 3 3 15 15 DG H8 H 1 7.926 . . 1 . . . . . . . . 4248 3 stop_ save_