data_5349 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5349 _Entry.Title ; PBX Homeodomain-DNA complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-04-19 _Entry.Accession_date 2002-04-22 _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 Tara Sprules . . . 5349 2 Nancy Green . C. . 5349 3 Mark Featherstone . S. . 5349 4 Kalle Gehring . . . 5349 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5349 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 5349 '1H chemical shifts' 778 5349 '15N chemical shifts' 89 5349 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 2002-04-19 update BMRB 'update DNA residue label to two-letter code' 5349 1 . . 2003-01-06 2002-04-19 original author 'original release' 5349 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5349 _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 'Lock and Key Binding of the HOX YPWM Peptide to the PBX Homeodomain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _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 1053 _Citation.Page_last 1058 _Citation.Year 2003 _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 Tara Sprules . . . 5349 1 2 Nancy Green . C. . 5349 1 3 Mark Featherstone . S. . 5349 1 4 Kalle Gehring . . . 5349 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PBX-DNA complex' 5349 1 'PBX homeodomain' 5349 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PBX-DNA_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PBX-DNA_complex _Assembly.Entry_ID 5349 _Assembly.ID 1 _Assembly.Name 'Extended PBX Homeodomain-DNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state '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 heterodimer 5349 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 'Extended PBX Homeodomain' 1 $PBX . . . native . . . . . 5349 1 2 '14mer DNA duplex' 2 $DNA . . . native . . . . . 5349 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 . PDB 1LFU . . . . . . 5349 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Extended PBX Homeodomain-DNA complex' system 5349 1 'PBX-DNA complex' abbreviation 5349 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factor' 5349 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PBX _Entity.Sf_category entity _Entity.Sf_framecode PBX _Entity.Entry_ID 5349 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PBX homeodomain' _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 ; MARRKRRNFNKQATEILNEY FYSHLSNPYPSEEAKEELAK KSGITVSQVSNWFGNKRIRY KKNIGKFQEEANIYAAKTAV TA ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2015-01-28 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 BMRB 4357 . Pbx1-HD-short . . . . . 98.78 87 98.77 98.77 9.32e-50 . . . . 5349 1 2 no BMRB 4358 . Pbx1-HD-long . . . . . 98.78 87 98.77 98.77 9.32e-50 . . . . 5349 1 3 no BMRB 4359 . Pbx1 . . . . . 98.78 87 98.77 98.77 9.32e-50 . . . . 5349 1 4 no PDB 1B72 . "Pbx1, Homeobox Protein Hox-B1DNA TERNARY COMPLEX" . . . . . 98.78 87 98.77 98.77 9.32e-50 . . . . 5349 1 5 no PDB 1LFU . "Nmr Solution Stucture Of The Extended Pbx Homeodomain Bound To Dna" . . . . . 100.00 82 100.00 100.00 3.25e-51 . . . . 5349 1 6 no PDB 1PUF . "Crystal Structure Of Hoxa9 And Pbx1 Homeodomains Bound To Dna" . . . . . 89.02 73 98.63 98.63 5.57e-44 . . . . 5349 1 7 no DBJ BAA96135 . "PBX1A [Gallus gallus]" . . . . . 98.78 430 98.77 98.77 3.34e-48 . . . . 5349 1 8 no DBJ BAA96136 . "PBX1B [Gallus gallus]" . . . . . 98.78 347 98.77 98.77 2.20e-48 . . . . 5349 1 9 no DBJ BAB83538 . "pre-B-cell leukemia transcription factor 1 [Macaca fascicularis]" . . . . . 98.78 325 97.53 97.53 8.93e-48 . . . . 5349 1 10 no DBJ BAF84104 . "unnamed protein product [Homo sapiens]" . . . . . 98.78 430 98.77 98.77 3.52e-48 . . . . 5349 1 11 no DBJ BAG10741 . "pre-B-cell leukemia transcription factor 1 [synthetic construct]" . . . . . 98.78 430 98.77 98.77 3.41e-48 . . . . 5349 1 12 no GB AAA21832 . "homeobox protein [Mus musculus]" . . . . . 98.78 347 98.77 98.77 1.53e-48 . . . . 5349 1 13 no GB AAA36484 . "homeobox-containing protein, partial [Homo sapiens]" . . . . . 98.78 342 98.77 98.77 1.42e-48 . . . . 5349 1 14 no GB AAA36764 . "E2A/PRL fusion protein, partial [Homo sapiens]" . . . . . 98.78 550 98.77 98.77 9.58e-45 . . . . 5349 1 15 no GB AAA60031 . "PBX1a [Homo sapiens]" . . . . . 98.78 430 98.77 98.77 3.41e-48 . . . . 5349 1 16 no GB AAB71191 . "PBX1a [Mus musculus]" . . . . . 98.78 430 98.77 98.77 3.41e-48 . . . . 5349 1 17 no PIR B33061 . "homeotic protein prl - human" . . . . . 98.78 342 98.77 98.77 1.42e-48 . . . . 5349 1 18 no REF NP_001094151 . "pre-B-cell leukemia transcription factor 1 isoform b [Rattus norvegicus]" . . . . . 98.78 347 98.77 98.77 1.53e-48 . . . . 5349 1 19 no REF NP_001128334 . "pre-B-cell leukemia transcription factor 1 isoform a [Rattus norvegicus]" . . . . . 98.78 430 98.77 98.77 3.41e-48 . . . . 5349 1 20 no REF NP_001179697 . "pre-B-cell leukemia transcription factor 1 [Bos taurus]" . . . . . 98.78 430 98.77 98.77 3.41e-48 . . . . 5349 1 21 no REF NP_001191890 . "pre-B-cell leukemia transcription factor 1 isoform 2 [Homo sapiens]" . . . . . 98.78 347 98.77 98.77 1.53e-48 . . . . 5349 1 22 no REF NP_001191892 . "pre-B-cell leukemia transcription factor 1 isoform 3 [Homo sapiens]" . . . . . 98.78 420 98.77 98.77 6.73e-48 . . . . 5349 1 23 no SP P40424 . "RecName: Full=Pre-B-cell leukemia transcription factor 1; AltName: Full=Homeobox protein PBX1; AltName: Full=Homeobox protein P" . . . . . 98.78 430 98.77 98.77 3.41e-48 . . . . 5349 1 24 no SP P41778 . "RecName: Full=Pre-B-cell leukemia transcription factor 1; AltName: Full=Homeobox protein PBX1 [Mus musculus]" . . . . . 98.78 430 98.77 98.77 3.41e-48 . . . . 5349 1 25 no TPG DAA32038 . "TPA: pre-B-cell leukemia homeobox 1 [Bos taurus]" . . . . . 98.78 430 98.77 98.77 3.41e-48 . . . . 5349 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PBX homeodomain' common 5349 1 'PBX HD' abbreviation 5349 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 5349 1 2 1 ALA . 5349 1 3 2 ARG . 5349 1 4 3 ARG . 5349 1 5 4 LYS . 5349 1 6 5 ARG . 5349 1 7 6 ARG . 5349 1 8 7 ASN . 5349 1 9 8 PHE . 5349 1 10 9 ASN . 5349 1 11 10 LYS . 5349 1 12 11 GLN . 5349 1 13 12 ALA . 5349 1 14 13 THR . 5349 1 15 14 GLU . 5349 1 16 15 ILE . 5349 1 17 16 LEU . 5349 1 18 17 ASN . 5349 1 19 18 GLU . 5349 1 20 19 TYR . 5349 1 21 20 PHE . 5349 1 22 21 TYR . 5349 1 23 22 SER . 5349 1 24 23 HIS . 5349 1 25 23a LEU . 5349 1 26 23b SER . 5349 1 27 23c ASN . 5349 1 28 24 PRO . 5349 1 29 25 TYR . 5349 1 30 26 PRO . 5349 1 31 27 SER . 5349 1 32 28 GLU . 5349 1 33 29 GLU . 5349 1 34 30 ALA . 5349 1 35 31 LYS . 5349 1 36 32 GLU . 5349 1 37 33 GLU . 5349 1 38 34 LEU . 5349 1 39 35 ALA . 5349 1 40 36 LYS . 5349 1 41 37 LYS . 5349 1 42 38 SER . 5349 1 43 39 GLY . 5349 1 44 40 ILE . 5349 1 45 41 THR . 5349 1 46 42 VAL . 5349 1 47 43 SER . 5349 1 48 44 GLN . 5349 1 49 45 VAL . 5349 1 50 46 SER . 5349 1 51 47 ASN . 5349 1 52 48 TRP . 5349 1 53 49 PHE . 5349 1 54 50 GLY . 5349 1 55 51 ASN . 5349 1 56 52 LYS . 5349 1 57 53 ARG . 5349 1 58 54 ILE . 5349 1 59 55 ARG . 5349 1 60 56 TYR . 5349 1 61 57 LYS . 5349 1 62 58 LYS . 5349 1 63 59 ASN . 5349 1 64 60 ILE . 5349 1 65 61 GLY . 5349 1 66 62 LYS . 5349 1 67 63 PHE . 5349 1 68 64 GLN . 5349 1 69 65 GLU . 5349 1 70 66 GLU . 5349 1 71 67 ALA . 5349 1 72 68 ASN . 5349 1 73 69 ILE . 5349 1 74 70 TYR . 5349 1 75 71 ALA . 5349 1 76 72 ALA . 5349 1 77 73 LYS . 5349 1 78 74 THR . 5349 1 79 75 ALA . 5349 1 80 76 VAL . 5349 1 81 77 THR . 5349 1 82 78 ALA . 5349 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 5349 1 . ALA 2 2 5349 1 . ARG 3 3 5349 1 . ARG 4 4 5349 1 . LYS 5 5 5349 1 . ARG 6 6 5349 1 . ARG 7 7 5349 1 . ASN 8 8 5349 1 . PHE 9 9 5349 1 . ASN 10 10 5349 1 . LYS 11 11 5349 1 . GLN 12 12 5349 1 . ALA 13 13 5349 1 . THR 14 14 5349 1 . GLU 15 15 5349 1 . ILE 16 16 5349 1 . LEU 17 17 5349 1 . ASN 18 18 5349 1 . GLU 19 19 5349 1 . TYR 20 20 5349 1 . PHE 21 21 5349 1 . TYR 22 22 5349 1 . SER 23 23 5349 1 . HIS 24 24 5349 1 . LEU 25 25 5349 1 . SER 26 26 5349 1 . ASN 27 27 5349 1 . PRO 28 28 5349 1 . TYR 29 29 5349 1 . PRO 30 30 5349 1 . SER 31 31 5349 1 . GLU 32 32 5349 1 . GLU 33 33 5349 1 . ALA 34 34 5349 1 . LYS 35 35 5349 1 . GLU 36 36 5349 1 . GLU 37 37 5349 1 . LEU 38 38 5349 1 . ALA 39 39 5349 1 . LYS 40 40 5349 1 . LYS 41 41 5349 1 . SER 42 42 5349 1 . GLY 43 43 5349 1 . ILE 44 44 5349 1 . THR 45 45 5349 1 . VAL 46 46 5349 1 . SER 47 47 5349 1 . GLN 48 48 5349 1 . VAL 49 49 5349 1 . SER 50 50 5349 1 . ASN 51 51 5349 1 . TRP 52 52 5349 1 . PHE 53 53 5349 1 . GLY 54 54 5349 1 . ASN 55 55 5349 1 . LYS 56 56 5349 1 . ARG 57 57 5349 1 . ILE 58 58 5349 1 . ARG 59 59 5349 1 . TYR 60 60 5349 1 . LYS 61 61 5349 1 . LYS 62 62 5349 1 . ASN 63 63 5349 1 . ILE 64 64 5349 1 . GLY 65 65 5349 1 . LYS 66 66 5349 1 . PHE 67 67 5349 1 . GLN 68 68 5349 1 . GLU 69 69 5349 1 . GLU 70 70 5349 1 . ALA 71 71 5349 1 . ASN 72 72 5349 1 . ILE 73 73 5349 1 . TYR 74 74 5349 1 . ALA 75 75 5349 1 . ALA 76 76 5349 1 . LYS 77 77 5349 1 . THR 78 78 5349 1 . ALA 79 79 5349 1 . VAL 80 80 5349 1 . THR 81 81 5349 1 . ALA 82 82 5349 1 stop_ save_ save_DNA _Entity.Sf_category entity _Entity.Sf_framecode DNA _Entity.Entry_ID 5349 _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 ; GCGCATGATTGCCCGGGCAA TCATGCGC ; _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 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DNA common 5349 2 DNA abbreviation 5349 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 . DG . 5349 2 2 . DC . 5349 2 3 . DG . 5349 2 4 . DC . 5349 2 5 . DA . 5349 2 6 . DT . 5349 2 7 . DG . 5349 2 8 . DA . 5349 2 9 . DT . 5349 2 10 . DT . 5349 2 11 . DG . 5349 2 12 . DC . 5349 2 13 . DC . 5349 2 14 . DC . 5349 2 15 . DG . 5349 2 16 . DG . 5349 2 17 . DG . 5349 2 18 . DC . 5349 2 19 . DA . 5349 2 20 . DA . 5349 2 21 . DT . 5349 2 22 . DC . 5349 2 23 . DA . 5349 2 24 . DT . 5349 2 25 . DG . 5349 2 26 . DC . 5349 2 27 . DG . 5349 2 28 . DC . 5349 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 . DG 1 1 5349 2 . DC 2 2 5349 2 . DG 3 3 5349 2 . DC 4 4 5349 2 . DA 5 5 5349 2 . DT 6 6 5349 2 . DG 7 7 5349 2 . DA 8 8 5349 2 . DT 9 9 5349 2 . DT 10 10 5349 2 . DG 11 11 5349 2 . DC 12 12 5349 2 . DC 13 13 5349 2 . DC 14 14 5349 2 . DG 15 15 5349 2 . DG 16 16 5349 2 . DG 17 17 5349 2 . DC 18 18 5349 2 . DA 19 19 5349 2 . DA 20 20 5349 2 . DT 21 21 5349 2 . DC 22 22 5349 2 . DA 23 23 5349 2 . DT 24 24 5349 2 . DG 25 25 5349 2 . DC 26 26 5349 2 . DG 27 27 5349 2 . DC 28 28 5349 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5349 _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 $PBX . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . PBX1 . . . . 5349 1 2 2 $DNA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 'The sequence was not derived from a natural source.' . . 5349 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 5349 _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 $PBX . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 Gold' . . . . . . . . . . . . plasmid . . pET11a . . . . . . 5349 1 2 2 $DNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5349 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5349 _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 'PBX homeodomain' [U-15N] . . 1 $PBX . . 1.5 . . mM . . . . 5349 1 2 DNA . . . 2 $DNA . . 1.5 . . mM . . . . 5349 1 3 DSS . . . . . . . 0.2 . . mM . . . . 5349 1 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 5349 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5349 _Sample.ID 2 _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 'PBX homeodomain' '[U-15N; U-13C]' . . 1 $PBX . . 1.9 . . mM . . . . 5349 2 2 DNA . . . 2 $DNA . . 1.9 . . mM . . . . 5349 2 3 DSS . . . . . . . 0.2 . . mM . . . . 5349 2 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 5349 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5349 _Sample.ID 3 _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 'PBX homeodomain' . . . 1 $PBX . . 1.4 . . mM . . . . 5349 3 2 DNA . . . 2 $DNA . . 1.4 . . mM . . . . 5349 3 3 DSS . . . . . . . 0.2 . . mM . . . . 5349 3 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 5349 3 stop_ save_ ####################### # Sample conditions # ####################### save_standard_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_conditions _Sample_condition_list.Entry_ID 5349 _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 pH 7.0 0.05 n/a 5349 1 temperature 303 0.5 K 5349 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5349 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5349 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5349 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 5349 1 2 spectrometer_2 Varian INOVA . 750 . . . 5349 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 5349 _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 '15N HSQC-NOESY' . . . . . . . . . . . . . . . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 5349 1 2 '13C HSQC-NOESY' . . . . . . . . . . . . . . . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 5349 1 3 HNHA . . . . . . . . . . . . . . . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 5349 1 4 '2D NOESY' . . . . . . . . . . . . . . . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 5349 1 5 CBCACONH . . . . . . . . . . . . . . . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 5349 1 6 '13C HSQC' . . . . . . . . . . . . . . . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 5349 1 7 '13C-filtered NOESY' . . . . . . . . . . . . . . . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 5349 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5349 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5349 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5349 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5349 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_PBX_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PBX_chemical_shifts _Assigned_chem_shift_list.Entry_ID 5349 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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_1 . 5349 1 . . 2 $sample_2 . 5349 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 55.5 0.20 . 1 . . . . . . . . 5349 1 2 . 1 1 1 1 MET HA H 1 4.47 0.01 . 1 . . . . . . . . 5349 1 3 . 1 1 1 1 MET CB C 13 33.1 0.20 . 1 . . . . . . . . 5349 1 4 . 1 1 1 1 MET HB2 H 1 2.08 0.01 . 2 . . . . . . . . 5349 1 5 . 1 1 1 1 MET HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5349 1 6 . 1 1 1 1 MET CG C 13 31.1 0.20 . 1 . . . . . . . . 5349 1 7 . 1 1 1 1 MET HG2 H 1 2.65 0.01 . 1 . . . . . . . . 5349 1 8 . 1 1 1 1 MET HG3 H 1 2.65 0.01 . 1 . . . . . . . . 5349 1 9 . 1 1 1 1 MET HE1 H 1 2.15 0.01 . 1 . . . . . . . . 5349 1 10 . 1 1 1 1 MET HE2 H 1 2.15 0.01 . 1 . . . . . . . . 5349 1 11 . 1 1 1 1 MET HE3 H 1 2.15 0.01 . 1 . . . . . . . . 5349 1 12 . 1 1 1 1 MET CE C 13 17.0 0.20 . 1 . . . . . . . . 5349 1 13 . 1 1 2 2 ALA N N 15 127.2 0.25 . 1 . . . . . . . . 5349 1 14 . 1 1 2 2 ALA H H 1 8.53 0.01 . 1 . . . . . . . . 5349 1 15 . 1 1 2 2 ALA CA C 13 52.4 0.20 . 1 . . . . . . . . 5349 1 16 . 1 1 2 2 ALA HA H 1 4.40 0.01 . 1 . . . . . . . . 5349 1 17 . 1 1 2 2 ALA HB1 H 1 1.44 0.01 . 1 . . . . . . . . 5349 1 18 . 1 1 2 2 ALA HB2 H 1 1.44 0.01 . 1 . . . . . . . . 5349 1 19 . 1 1 2 2 ALA HB3 H 1 1.44 0.01 . 1 . . . . . . . . 5349 1 20 . 1 1 2 2 ALA CB C 13 19.4 0.20 . 1 . . . . . . . . 5349 1 21 . 1 1 3 3 ARG N N 15 123.7 0.25 . 1 . . . . . . . . 5349 1 22 . 1 1 3 3 ARG H H 1 8.57 0.01 . 1 . . . . . . . . 5349 1 23 . 1 1 3 3 ARG CA C 13 56.1 0.20 . 1 . . . . . . . . 5349 1 24 . 1 1 3 3 ARG HA H 1 4.37 0.01 . 1 . . . . . . . . 5349 1 25 . 1 1 3 3 ARG CB C 13 31.1 0.20 . 1 . . . . . . . . 5349 1 26 . 1 1 3 3 ARG HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5349 1 27 . 1 1 3 3 ARG HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5349 1 28 . 1 1 3 3 ARG CG C 13 27.5 0.20 . 1 . . . . . . . . 5349 1 29 . 1 1 3 3 ARG HG2 H 1 1.74 0.01 . 2 . . . . . . . . 5349 1 30 . 1 1 3 3 ARG HG3 H 1 1.69 0.01 . 2 . . . . . . . . 5349 1 31 . 1 1 3 3 ARG CD C 13 43.5 0.20 . 1 . . . . . . . . 5349 1 32 . 1 1 3 3 ARG HD2 H 1 3.25 0.01 . 1 . . . . . . . . 5349 1 33 . 1 1 3 3 ARG HD3 H 1 3.25 0.01 . 1 . . . . . . . . 5349 1 34 . 1 1 4 4 ARG N N 15 121.6 0.25 . 1 . . . . . . . . 5349 1 35 . 1 1 4 4 ARG H H 1 8.43 0.01 . 1 . . . . . . . . 5349 1 36 . 1 1 4 4 ARG CA C 13 55.7 0.20 . 1 . . . . . . . . 5349 1 37 . 1 1 4 4 ARG HA H 1 4.38 0.01 . 1 . . . . . . . . 5349 1 38 . 1 1 4 4 ARG CB C 13 31.3 0.20 . 1 . . . . . . . . 5349 1 39 . 1 1 4 4 ARG HB2 H 1 1.91 0.01 . 2 . . . . . . . . 5349 1 40 . 1 1 4 4 ARG HB3 H 1 1.80 0.01 . 2 . . . . . . . . 5349 1 41 . 1 1 4 4 ARG CG C 13 27.4 0.20 . 1 . . . . . . . . 5349 1 42 . 1 1 4 4 ARG HG2 H 1 1.69 0.01 . 1 . . . . . . . . 5349 1 43 . 1 1 4 4 ARG HG3 H 1 1.69 0.01 . 1 . . . . . . . . 5349 1 44 . 1 1 4 4 ARG CD C 13 43.5 0.20 . 1 . . . . . . . . 5349 1 45 . 1 1 4 4 ARG HD2 H 1 3.26 0.01 . 1 . . . . . . . . 5349 1 46 . 1 1 4 4 ARG HD3 H 1 3.26 0.01 . 1 . . . . . . . . 5349 1 47 . 1 1 5 5 LYS N N 15 123.2 0.25 . 1 . . . . . . . . 5349 1 48 . 1 1 5 5 LYS H H 1 8.34 0.01 . 1 . . . . . . . . 5349 1 49 . 1 1 5 5 LYS CA C 13 56.0 0.20 . 1 . . . . . . . . 5349 1 50 . 1 1 5 5 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 5349 1 51 . 1 1 5 5 LYS CB C 13 33.3 0.20 . 1 . . . . . . . . 5349 1 52 . 1 1 5 5 LYS HB2 H 1 1.81 0.01 . 2 . . . . . . . . 5349 1 53 . 1 1 5 5 LYS HB3 H 1 1.77 0.01 . 2 . . . . . . . . 5349 1 54 . 1 1 5 5 LYS CG C 13 24.9 0.20 . 1 . . . . . . . . 5349 1 55 . 1 1 5 5 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 5349 1 56 . 1 1 5 5 LYS HG3 H 1 1.48 0.01 . 1 . . . . . . . . 5349 1 57 . 1 1 5 5 LYS CD C 13 28.9 0.20 . 1 . . . . . . . . 5349 1 58 . 1 1 5 5 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 5349 1 59 . 1 1 5 5 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 5349 1 60 . 1 1 5 5 LYS CE C 13 42.1 0.20 . 1 . . . . . . . . 5349 1 61 . 1 1 5 5 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5349 1 62 . 1 1 5 5 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5349 1 63 . 1 1 6 6 ARG N N 15 126.5 0.25 . 1 . . . . . . . . 5349 1 64 . 1 1 6 6 ARG H H 1 8.48 0.01 . 1 . . . . . . . . 5349 1 65 . 1 1 6 6 ARG CA C 13 56.5 0.20 . 1 . . . . . . . . 5349 1 66 . 1 1 6 6 ARG HA H 1 4.21 0.01 . 1 . . . . . . . . 5349 1 67 . 1 1 6 6 ARG CB C 13 31.5 0.20 . 1 . . . . . . . . 5349 1 68 . 1 1 6 6 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5349 1 69 . 1 1 6 6 ARG HB3 H 1 1.74 0.01 . 2 . . . . . . . . 5349 1 70 . 1 1 6 6 ARG HG2 H 1 1.39 0.01 . 1 . . . . . . . . 5349 1 71 . 1 1 6 6 ARG HG3 H 1 1.39 0.01 . 1 . . . . . . . . 5349 1 72 . 1 1 6 6 ARG CD C 13 43.1 0.20 . 1 . . . . . . . . 5349 1 73 . 1 1 6 6 ARG HD2 H 1 2.97 0.01 . 1 . . . . . . . . 5349 1 74 . 1 1 6 6 ARG HD3 H 1 2.97 0.01 . 1 . . . . . . . . 5349 1 75 . 1 1 7 7 ARG N N 15 123.5 0.25 . 1 . . . . . . . . 5349 1 76 . 1 1 7 7 ARG H H 1 7.98 0.01 . 1 . . . . . . . . 5349 1 77 . 1 1 7 7 ARG CA C 13 54.8 0.20 . 1 . . . . . . . . 5349 1 78 . 1 1 7 7 ARG HA H 1 4.37 0.01 . 1 . . . . . . . . 5349 1 79 . 1 1 7 7 ARG CB C 13 32.3 0.20 . 1 . . . . . . . . 5349 1 80 . 1 1 7 7 ARG HB2 H 1 1.86 0.01 . 2 . . . . . . . . 5349 1 81 . 1 1 7 7 ARG HB3 H 1 1.72 0.01 . 2 . . . . . . . . 5349 1 82 . 1 1 7 7 ARG CG C 13 26.9 0.20 . 1 . . . . . . . . 5349 1 83 . 1 1 7 7 ARG HG2 H 1 1.68 0.01 . 1 . . . . . . . . 5349 1 84 . 1 1 7 7 ARG HG3 H 1 1.68 0.01 . 1 . . . . . . . . 5349 1 85 . 1 1 7 7 ARG CD C 13 43.4 0.20 . 1 . . . . . . . . 5349 1 86 . 1 1 7 7 ARG HD2 H 1 3.26 0.01 . 1 . . . . . . . . 5349 1 87 . 1 1 7 7 ARG HD3 H 1 3.26 0.01 . 1 . . . . . . . . 5349 1 88 . 1 1 8 8 ASN N N 15 121.4 0.25 . 1 . . . . . . . . 5349 1 89 . 1 1 8 8 ASN H H 1 8.54 0.01 . 1 . . . . . . . . 5349 1 90 . 1 1 8 8 ASN CA C 13 52.7 0.20 . 1 . . . . . . . . 5349 1 91 . 1 1 8 8 ASN HA H 1 4.54 0.01 . 1 . . . . . . . . 5349 1 92 . 1 1 8 8 ASN CB C 13 38.4 0.20 . 1 . . . . . . . . 5349 1 93 . 1 1 8 8 ASN HB2 H 1 2.92 0.01 . 2 . . . . . . . . 5349 1 94 . 1 1 8 8 ASN HB3 H 1 2.66 0.01 . 2 . . . . . . . . 5349 1 95 . 1 1 8 8 ASN ND2 N 15 111.9 0.25 . 1 . . . . . . . . 5349 1 96 . 1 1 8 8 ASN HD21 H 1 7.59 0.01 . 2 . . . . . . . . 5349 1 97 . 1 1 8 8 ASN HD22 H 1 7.18 0.01 . 2 . . . . . . . . 5349 1 98 . 1 1 9 9 PHE N N 15 123.9 0.25 . 1 . . . . . . . . 5349 1 99 . 1 1 9 9 PHE H H 1 9.34 0.01 . 1 . . . . . . . . 5349 1 100 . 1 1 9 9 PHE CA C 13 55.4 0.20 . 1 . . . . . . . . 5349 1 101 . 1 1 9 9 PHE HA H 1 4.93 0.01 . 1 . . . . . . . . 5349 1 102 . 1 1 9 9 PHE CB C 13 38.5 0.20 . 1 . . . . . . . . 5349 1 103 . 1 1 9 9 PHE HB2 H 1 3.28 0.01 . 2 . . . . . . . . 5349 1 104 . 1 1 9 9 PHE HB3 H 1 2.99 0.01 . 2 . . . . . . . . 5349 1 105 . 1 1 9 9 PHE CD1 C 13 130.8 0.20 . 3 . . . . . . . . 5349 1 106 . 1 1 9 9 PHE CE1 C 13 131.7 0.20 . 3 . . . . . . . . 5349 1 107 . 1 1 9 9 PHE CZ C 13 129.5 0.20 . 1 . . . . . . . . 5349 1 108 . 1 1 9 9 PHE HZ H 1 7.54 0.01 . 1 . . . . . . . . 5349 1 109 . 1 1 9 9 PHE HD1 H 1 7.27 0.01 . 1 . . . . . . . . 5349 1 110 . 1 1 9 9 PHE HD2 H 1 7.27 0.01 . 1 . . . . . . . . 5349 1 111 . 1 1 9 9 PHE HE1 H 1 7.51 0.01 . 1 . . . . . . . . 5349 1 112 . 1 1 9 9 PHE HE2 H 1 7.51 0.01 . 1 . . . . . . . . 5349 1 113 . 1 1 10 10 ASN N N 15 121.2 0.25 . 1 . . . . . . . . 5349 1 114 . 1 1 10 10 ASN H H 1 8.89 0.01 . 1 . . . . . . . . 5349 1 115 . 1 1 10 10 ASN CA C 13 52.9 0.20 . 1 . . . . . . . . 5349 1 116 . 1 1 10 10 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 5349 1 117 . 1 1 10 10 ASN CB C 13 38.9 0.20 . 1 . . . . . . . . 5349 1 118 . 1 1 10 10 ASN HB2 H 1 3.24 0.01 . 2 . . . . . . . . 5349 1 119 . 1 1 10 10 ASN HB3 H 1 3.03 0.01 . 2 . . . . . . . . 5349 1 120 . 1 1 10 10 ASN ND2 N 15 113.8 0.25 . 1 . . . . . . . . 5349 1 121 . 1 1 10 10 ASN HD21 H 1 7.71 0.01 . 2 . . . . . . . . 5349 1 122 . 1 1 10 10 ASN HD22 H 1 7.06 0.01 . 2 . . . . . . . . 5349 1 123 . 1 1 11 11 LYS N N 15 122.4 0.25 . 1 . . . . . . . . 5349 1 124 . 1 1 11 11 LYS H H 1 8.70 0.01 . 1 . . . . . . . . 5349 1 125 . 1 1 11 11 LYS CA C 13 59.2 0.20 . 1 . . . . . . . . 5349 1 126 . 1 1 11 11 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 5349 1 127 . 1 1 11 11 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 5349 1 128 . 1 1 11 11 LYS HB2 H 1 1.95 0.01 . 2 . . . . . . . . 5349 1 129 . 1 1 11 11 LYS HB3 H 1 1.91 0.01 . 2 . . . . . . . . 5349 1 130 . 1 1 12 12 GLN N N 15 118.7 0.25 . 1 . . . . . . . . 5349 1 131 . 1 1 12 12 GLN H H 1 8.39 0.01 . 1 . . . . . . . . 5349 1 132 . 1 1 12 12 GLN CA C 13 59.2 0.20 . 1 . . . . . . . . 5349 1 133 . 1 1 12 12 GLN HA H 1 4.15 0.01 . 1 . . . . . . . . 5349 1 134 . 1 1 12 12 GLN CB C 13 28.1 0.20 . 1 . . . . . . . . 5349 1 135 . 1 1 12 12 GLN HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5349 1 136 . 1 1 12 12 GLN HB3 H 1 2.08 0.01 . 2 . . . . . . . . 5349 1 137 . 1 1 12 12 GLN CG C 13 34.5 0.20 . 1 . . . . . . . . 5349 1 138 . 1 1 12 12 GLN HG2 H 1 2.47 0.01 . 1 . . . . . . . . 5349 1 139 . 1 1 12 12 GLN HG3 H 1 2.47 0.01 . 1 . . . . . . . . 5349 1 140 . 1 1 12 12 GLN NE2 N 15 112.8 0.25 . 1 . . . . . . . . 5349 1 141 . 1 1 12 12 GLN HE21 H 1 7.50 0.01 . 1 . . . . . . . . 5349 1 142 . 1 1 12 12 GLN HE22 H 1 6.90 0.01 . 1 . . . . . . . . 5349 1 143 . 1 1 13 13 ALA N N 15 121.8 0.25 . 1 . . . . . . . . 5349 1 144 . 1 1 13 13 ALA H H 1 7.85 0.01 . 1 . . . . . . . . 5349 1 145 . 1 1 13 13 ALA CA C 13 54.9 0.20 . 1 . . . . . . . . 5349 1 146 . 1 1 13 13 ALA HA H 1 4.00 0.01 . 1 . . . . . . . . 5349 1 147 . 1 1 13 13 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 5349 1 148 . 1 1 13 13 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 5349 1 149 . 1 1 13 13 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5349 1 150 . 1 1 13 13 ALA CB C 13 18.4 0.20 . 1 . . . . . . . . 5349 1 151 . 1 1 14 14 THR N N 15 111.7 0.25 . 1 . . . . . . . . 5349 1 152 . 1 1 14 14 THR H H 1 8.01 0.01 . 1 . . . . . . . . 5349 1 153 . 1 1 14 14 THR CA C 13 66.8 0.20 . 1 . . . . . . . . 5349 1 154 . 1 1 14 14 THR HA H 1 3.61 0.01 . 1 . . . . . . . . 5349 1 155 . 1 1 14 14 THR CB C 13 68.5 0.20 . 1 . . . . . . . . 5349 1 156 . 1 1 14 14 THR HB H 1 4.37 0.01 . 1 . . . . . . . . 5349 1 157 . 1 1 14 14 THR HG21 H 1 1.48 0.01 . 1 . . . . . . . . 5349 1 158 . 1 1 14 14 THR HG22 H 1 1.48 0.01 . 1 . . . . . . . . 5349 1 159 . 1 1 14 14 THR HG23 H 1 1.48 0.01 . 1 . . . . . . . . 5349 1 160 . 1 1 14 14 THR CG2 C 13 23.1 0.20 . 1 . . . . . . . . 5349 1 161 . 1 1 15 15 GLU N N 15 122.4 0.25 . 1 . . . . . . . . 5349 1 162 . 1 1 15 15 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 5349 1 163 . 1 1 15 15 GLU CA C 13 60.0 0.20 . 1 . . . . . . . . 5349 1 164 . 1 1 15 15 GLU HA H 1 4.33 0.01 . 1 . . . . . . . . 5349 1 165 . 1 1 15 15 GLU CB C 13 29.7 0.20 . 1 . . . . . . . . 5349 1 166 . 1 1 15 15 GLU HB2 H 1 2.30 0.01 . 2 . . . . . . . . 5349 1 167 . 1 1 15 15 GLU HB3 H 1 2.19 0.01 . 2 . . . . . . . . 5349 1 168 . 1 1 15 15 GLU CG C 13 37.8 0.20 . 1 . . . . . . . . 5349 1 169 . 1 1 15 15 GLU HG2 H 1 2.61 0.01 . 2 . . . . . . . . 5349 1 170 . 1 1 15 15 GLU HG3 H 1 2.47 0.01 . 2 . . . . . . . . 5349 1 171 . 1 1 16 16 ILE N N 15 121.2 0.25 . 1 . . . . . . . . 5349 1 172 . 1 1 16 16 ILE H H 1 7.37 0.01 . 1 . . . . . . . . 5349 1 173 . 1 1 16 16 ILE CA C 13 64.3 0.20 . 1 . . . . . . . . 5349 1 174 . 1 1 16 16 ILE HA H 1 3.78 0.01 . 1 . . . . . . . . 5349 1 175 . 1 1 16 16 ILE CB C 13 38.2 0.20 . 1 . . . . . . . . 5349 1 176 . 1 1 16 16 ILE HB H 1 1.98 0.01 . 1 . . . . . . . . 5349 1 177 . 1 1 16 16 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 5349 1 178 . 1 1 16 16 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 5349 1 179 . 1 1 16 16 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 5349 1 180 . 1 1 16 16 ILE CG2 C 13 17.7 0.20 . 2 . . . . . . . . 5349 1 181 . 1 1 16 16 ILE CG1 C 13 29.4 0.20 . 2 . . . . . . . . 5349 1 182 . 1 1 16 16 ILE HG12 H 1 1.72 0.01 . 2 . . . . . . . . 5349 1 183 . 1 1 16 16 ILE HG13 H 1 1.27 0.01 . 2 . . . . . . . . 5349 1 184 . 1 1 16 16 ILE HD11 H 1 0.79 0.01 . 1 . . . . . . . . 5349 1 185 . 1 1 16 16 ILE HD12 H 1 0.79 0.01 . 1 . . . . . . . . 5349 1 186 . 1 1 16 16 ILE HD13 H 1 0.79 0.01 . 1 . . . . . . . . 5349 1 187 . 1 1 16 16 ILE CD1 C 13 13.7 0.20 . 1 . . . . . . . . 5349 1 188 . 1 1 17 17 LEU N N 15 122.5 0.25 . 1 . . . . . . . . 5349 1 189 . 1 1 17 17 LEU H H 1 7.69 0.01 . 1 . . . . . . . . 5349 1 190 . 1 1 17 17 LEU CA C 13 58.3 0.20 . 1 . . . . . . . . 5349 1 191 . 1 1 17 17 LEU HA H 1 3.59 0.01 . 1 . . . . . . . . 5349 1 192 . 1 1 17 17 LEU CB C 13 37.6 0.20 . 1 . . . . . . . . 5349 1 193 . 1 1 17 17 LEU HB2 H 1 0.37 0.01 . 2 . . . . . . . . 5349 1 194 . 1 1 17 17 LEU HB3 H 1 -1.03 0.01 . 2 . . . . . . . . 5349 1 195 . 1 1 17 17 LEU CG C 13 25.8 0.20 . 1 . . . . . . . . 5349 1 196 . 1 1 17 17 LEU HG H 1 1.38 0.01 . 1 . . . . . . . . 5349 1 197 . 1 1 17 17 LEU HD11 H 1 -0.35 0.01 . 2 . . . . . . . . 5349 1 198 . 1 1 17 17 LEU HD12 H 1 -0.35 0.01 . 2 . . . . . . . . 5349 1 199 . 1 1 17 17 LEU HD13 H 1 -0.35 0.01 . 2 . . . . . . . . 5349 1 200 . 1 1 17 17 LEU HD21 H 1 0.43 0.01 . 2 . . . . . . . . 5349 1 201 . 1 1 17 17 LEU HD22 H 1 0.43 0.01 . 2 . . . . . . . . 5349 1 202 . 1 1 17 17 LEU HD23 H 1 0.43 0.01 . 2 . . . . . . . . 5349 1 203 . 1 1 17 17 LEU CD1 C 13 23.4 0.20 . 2 . . . . . . . . 5349 1 204 . 1 1 17 17 LEU CD2 C 13 22.9 0.20 . 2 . . . . . . . . 5349 1 205 . 1 1 18 18 ASN N N 15 119.1 0.25 . 1 . . . . . . . . 5349 1 206 . 1 1 18 18 ASN H H 1 8.54 0.01 . 1 . . . . . . . . 5349 1 207 . 1 1 18 18 ASN CA C 13 56.3 0.20 . 1 . . . . . . . . 5349 1 208 . 1 1 18 18 ASN HA H 1 4.65 0.01 . 1 . . . . . . . . 5349 1 209 . 1 1 18 18 ASN CB C 13 37.8 0.20 . 1 . . . . . . . . 5349 1 210 . 1 1 18 18 ASN HB2 H 1 2.76 0.01 . 2 . . . . . . . . 5349 1 211 . 1 1 18 18 ASN HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5349 1 212 . 1 1 18 18 ASN ND2 N 15 111.9 0.25 . 1 . . . . . . . . 5349 1 213 . 1 1 18 18 ASN HD21 H 1 7.61 0.01 . 2 . . . . . . . . 5349 1 214 . 1 1 18 18 ASN HD22 H 1 6.82 0.01 . 2 . . . . . . . . 5349 1 215 . 1 1 19 19 GLU N N 15 120.8 0.25 . 1 . . . . . . . . 5349 1 216 . 1 1 19 19 GLU H H 1 8.43 0.01 . 1 . . . . . . . . 5349 1 217 . 1 1 19 19 GLU CA C 13 60.3 0.20 . 1 . . . . . . . . 5349 1 218 . 1 1 19 19 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5349 1 219 . 1 1 19 19 GLU CB C 13 29.2 0.20 . 1 . . . . . . . . 5349 1 220 . 1 1 19 19 GLU HB2 H 1 2.38 0.01 . 2 . . . . . . . . 5349 1 221 . 1 1 19 19 GLU HB3 H 1 2.25 0.01 . 2 . . . . . . . . 5349 1 222 . 1 1 19 19 GLU CG C 13 36.9 0.20 . 1 . . . . . . . . 5349 1 223 . 1 1 19 19 GLU HG2 H 1 2.65 0.01 . 2 . . . . . . . . 5349 1 224 . 1 1 19 19 GLU HG3 H 1 2.39 0.01 . 2 . . . . . . . . 5349 1 225 . 1 1 20 20 TYR N N 15 120.6 0.25 . 1 . . . . . . . . 5349 1 226 . 1 1 20 20 TYR H H 1 7.80 0.01 . 1 . . . . . . . . 5349 1 227 . 1 1 20 20 TYR CA C 13 62.5 0.20 . 1 . . . . . . . . 5349 1 228 . 1 1 20 20 TYR HA H 1 4.15 0.01 . 1 . . . . . . . . 5349 1 229 . 1 1 20 20 TYR CB C 13 38.6 0.20 . 1 . . . . . . . . 5349 1 230 . 1 1 20 20 TYR HB2 H 1 3.41 0.01 . 2 . . . . . . . . 5349 1 231 . 1 1 20 20 TYR HB3 H 1 3.21 0.01 . 2 . . . . . . . . 5349 1 232 . 1 1 20 20 TYR CD1 C 13 133.7 0.20 . 3 . . . . . . . . 5349 1 233 . 1 1 20 20 TYR CE1 C 13 116.9 0.20 . 3 . . . . . . . . 5349 1 234 . 1 1 20 20 TYR HE1 H 1 6.28 0.01 . 1 . . . . . . . . 5349 1 235 . 1 1 20 20 TYR HE2 H 1 6.28 0.01 . 1 . . . . . . . . 5349 1 236 . 1 1 20 20 TYR HD1 H 1 7.04 0.01 . 1 . . . . . . . . 5349 1 237 . 1 1 20 20 TYR HD2 H 1 7.04 0.01 . 1 . . . . . . . . 5349 1 238 . 1 1 21 21 PHE N N 15 123.7 0.25 . 1 . . . . . . . . 5349 1 239 . 1 1 21 21 PHE H H 1 9.42 0.01 . 1 . . . . . . . . 5349 1 240 . 1 1 21 21 PHE CA C 13 64.1 0.20 . 1 . . . . . . . . 5349 1 241 . 1 1 21 21 PHE HA H 1 3.97 0.01 . 1 . . . . . . . . 5349 1 242 . 1 1 21 21 PHE CB C 13 39.8 0.20 . 1 . . . . . . . . 5349 1 243 . 1 1 21 21 PHE HB2 H 1 3.31 0.01 . 2 . . . . . . . . 5349 1 244 . 1 1 21 21 PHE HB3 H 1 3.14 0.01 . 2 . . . . . . . . 5349 1 245 . 1 1 21 21 PHE CD1 C 13 131.2 0.20 . 3 . . . . . . . . 5349 1 246 . 1 1 21 21 PHE CE1 C 13 131.1 0.20 . 3 . . . . . . . . 5349 1 247 . 1 1 21 21 PHE CZ C 13 129.4 0.20 . 1 . . . . . . . . 5349 1 248 . 1 1 21 21 PHE HZ H 1 6.38 0.01 . 1 . . . . . . . . 5349 1 249 . 1 1 21 21 PHE HD1 H 1 6.23 0.01 . 1 . . . . . . . . 5349 1 250 . 1 1 21 21 PHE HD2 H 1 6.23 0.01 . 1 . . . . . . . . 5349 1 251 . 1 1 21 21 PHE HE1 H 1 6.42 0.01 . 1 . . . . . . . . 5349 1 252 . 1 1 21 21 PHE HE2 H 1 6.42 0.01 . 1 . . . . . . . . 5349 1 253 . 1 1 22 22 TYR N N 15 113.0 0.25 . 1 . . . . . . . . 5349 1 254 . 1 1 22 22 TYR H H 1 8.84 0.01 . 1 . . . . . . . . 5349 1 255 . 1 1 22 22 TYR CA C 13 62.9 0.20 . 1 . . . . . . . . 5349 1 256 . 1 1 22 22 TYR HA H 1 4.08 0.01 . 1 . . . . . . . . 5349 1 257 . 1 1 22 22 TYR CB C 13 37.5 0.20 . 1 . . . . . . . . 5349 1 258 . 1 1 22 22 TYR HB2 H 1 3.25 0.01 . 2 . . . . . . . . 5349 1 259 . 1 1 22 22 TYR HB3 H 1 2.80 0.01 . 2 . . . . . . . . 5349 1 260 . 1 1 22 22 TYR CD1 C 13 133.5 0.20 . 3 . . . . . . . . 5349 1 261 . 1 1 22 22 TYR CE1 C 13 118.4 0.20 . 3 . . . . . . . . 5349 1 262 . 1 1 22 22 TYR HE1 H 1 6.93 0.01 . 1 . . . . . . . . 5349 1 263 . 1 1 22 22 TYR HE2 H 1 6.93 0.01 . 1 . . . . . . . . 5349 1 264 . 1 1 22 22 TYR HD1 H 1 7.25 0.01 . 1 . . . . . . . . 5349 1 265 . 1 1 22 22 TYR HD2 H 1 7.25 0.01 . 1 . . . . . . . . 5349 1 266 . 1 1 23 23 SER N N 15 114.0 0.25 . 1 . . . . . . . . 5349 1 267 . 1 1 23 23 SER H H 1 7.71 0.01 . 1 . . . . . . . . 5349 1 268 . 1 1 23 23 SER CA C 13 59.4 0.20 . 1 . . . . . . . . 5349 1 269 . 1 1 23 23 SER HA H 1 4.53 0.01 . 1 . . . . . . . . 5349 1 270 . 1 1 23 23 SER CB C 13 63.8 0.20 . 1 . . . . . . . . 5349 1 271 . 1 1 23 23 SER HB2 H 1 3.98 0.01 . 2 . . . . . . . . 5349 1 272 . 1 1 23 23 SER HB3 H 1 3.94 0.01 . 2 . . . . . . . . 5349 1 273 . 1 1 24 24 HIS N N 15 121.6 0.25 . 1 . . . . . . . . 5349 1 274 . 1 1 24 24 HIS H H 1 7.57 0.01 . 1 . . . . . . . . 5349 1 275 . 1 1 24 24 HIS CA C 13 55.7 0.20 . 1 . . . . . . . . 5349 1 276 . 1 1 24 24 HIS HA H 1 4.73 0.01 . 1 . . . . . . . . 5349 1 277 . 1 1 24 24 HIS CB C 13 27.5 0.20 . 1 . . . . . . . . 5349 1 278 . 1 1 24 24 HIS HB2 H 1 3.54 0.01 . 2 . . . . . . . . 5349 1 279 . 1 1 24 24 HIS HB3 H 1 2.30 0.01 . 2 . . . . . . . . 5349 1 280 . 1 1 24 24 HIS CD2 C 13 119.3 0.20 . 1 . . . . . . . . 5349 1 281 . 1 1 24 24 HIS CE1 C 13 135.5 0.20 . 1 . . . . . . . . 5349 1 282 . 1 1 24 24 HIS HD2 H 1 7.09 0.01 . 1 . . . . . . . . 5349 1 283 . 1 1 24 24 HIS HE1 H 1 7.94 0.01 . 1 . . . . . . . . 5349 1 284 . 1 1 25 25 LEU N N 15 122.2 0.25 . 1 . . . . . . . . 5349 1 285 . 1 1 25 25 LEU H H 1 7.12 0.01 . 1 . . . . . . . . 5349 1 286 . 1 1 25 25 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 5349 1 287 . 1 1 25 25 LEU HA H 1 3.45 0.01 . 1 . . . . . . . . 5349 1 288 . 1 1 25 25 LEU CB C 13 42.6 0.20 . 1 . . . . . . . . 5349 1 289 . 1 1 25 25 LEU HB2 H 1 1.62 0.01 . 2 . . . . . . . . 5349 1 290 . 1 1 25 25 LEU HB3 H 1 1.50 0.01 . 2 . . . . . . . . 5349 1 291 . 1 1 25 25 LEU CG C 13 26.6 0.20 . 1 . . . . . . . . 5349 1 292 . 1 1 25 25 LEU HG H 1 1.55 0.01 . 1 . . . . . . . . 5349 1 293 . 1 1 25 25 LEU HD11 H 1 0.62 0.01 . 2 . . . . . . . . 5349 1 294 . 1 1 25 25 LEU HD12 H 1 0.62 0.01 . 2 . . . . . . . . 5349 1 295 . 1 1 25 25 LEU HD13 H 1 0.62 0.01 . 2 . . . . . . . . 5349 1 296 . 1 1 25 25 LEU HD21 H 1 0.56 0.01 . 2 . . . . . . . . 5349 1 297 . 1 1 25 25 LEU HD22 H 1 0.56 0.01 . 2 . . . . . . . . 5349 1 298 . 1 1 25 25 LEU HD23 H 1 0.56 0.01 . 2 . . . . . . . . 5349 1 299 . 1 1 25 25 LEU CD1 C 13 24.9 0.20 . 2 . . . . . . . . 5349 1 300 . 1 1 25 25 LEU CD2 C 13 24.7 0.20 . 2 . . . . . . . . 5349 1 301 . 1 1 26 26 SER N N 15 110.5 0.25 . 1 . . . . . . . . 5349 1 302 . 1 1 26 26 SER H H 1 8.14 0.01 . 1 . . . . . . . . 5349 1 303 . 1 1 26 26 SER CA C 13 59.7 0.20 . 1 . . . . . . . . 5349 1 304 . 1 1 26 26 SER HA H 1 4.29 0.01 . 1 . . . . . . . . 5349 1 305 . 1 1 26 26 SER CB C 13 63.0 0.20 . 1 . . . . . . . . 5349 1 306 . 1 1 26 26 SER HB2 H 1 3.99 0.01 . 2 . . . . . . . . 5349 1 307 . 1 1 26 26 SER HB3 H 1 3.88 0.01 . 2 . . . . . . . . 5349 1 308 . 1 1 27 27 ASN N N 15 116.3 0.25 . 1 . . . . . . . . 5349 1 309 . 1 1 27 27 ASN H H 1 7.66 0.01 . 1 . . . . . . . . 5349 1 310 . 1 1 27 27 ASN CA C 13 52.7 0.20 . 1 . . . . . . . . 5349 1 311 . 1 1 27 27 ASN HA H 1 5.14 0.01 . 1 . . . . . . . . 5349 1 312 . 1 1 27 27 ASN CB C 13 38.5 0.20 . 1 . . . . . . . . 5349 1 313 . 1 1 27 27 ASN HB2 H 1 2.92 0.01 . 2 . . . . . . . . 5349 1 314 . 1 1 27 27 ASN HB3 H 1 2.84 0.01 . 2 . . . . . . . . 5349 1 315 . 1 1 27 27 ASN ND2 N 15 111.3 0.25 . 1 . . . . . . . . 5349 1 316 . 1 1 27 27 ASN HD21 H 1 7.49 0.01 . 2 . . . . . . . . 5349 1 317 . 1 1 27 27 ASN HD22 H 1 6.89 0.01 . 2 . . . . . . . . 5349 1 318 . 1 1 28 28 PRO CD C 13 49.0 0.20 . 1 . . . . . . . . 5349 1 319 . 1 1 28 28 PRO CA C 13 63.5 0.20 . 1 . . . . . . . . 5349 1 320 . 1 1 28 28 PRO HA H 1 4.73 0.01 . 1 . . . . . . . . 5349 1 321 . 1 1 28 28 PRO CB C 13 27.93 0.20 . 1 . . . . . . . . 5349 1 322 . 1 1 28 28 PRO HB2 H 1 2.34 0.01 . 1 . . . . . . . . 5349 1 323 . 1 1 28 28 PRO HB3 H 1 2.34 0.01 . 1 . . . . . . . . 5349 1 324 . 1 1 28 28 PRO HD2 H 1 3.65 0.01 . 1 . . . . . . . . 5349 1 325 . 1 1 28 28 PRO HD3 H 1 3.65 0.01 . 1 . . . . . . . . 5349 1 326 . 1 1 29 29 TYR N N 15 120.8 0.25 . 1 . . . . . . . . 5349 1 327 . 1 1 29 29 TYR H H 1 7.85 0.01 . 1 . . . . . . . . 5349 1 328 . 1 1 29 29 TYR CA C 13 55.7 0.20 . 1 . . . . . . . . 5349 1 329 . 1 1 29 29 TYR HA H 1 4.72 0.01 . 1 . . . . . . . . 5349 1 330 . 1 1 29 29 TYR CB C 13 38.3 0.20 . 1 . . . . . . . . 5349 1 331 . 1 1 29 29 TYR HB2 H 1 2.92 0.01 . 2 . . . . . . . . 5349 1 332 . 1 1 29 29 TYR HB3 H 1 2.67 0.01 . 2 . . . . . . . . 5349 1 333 . 1 1 29 29 TYR CD1 C 13 133.3 0.20 . 3 . . . . . . . . 5349 1 334 . 1 1 29 29 TYR CE1 C 13 117.3 0.20 . 3 . . . . . . . . 5349 1 335 . 1 1 29 29 TYR HE1 H 1 6.86 0.01 . 1 . . . . . . . . 5349 1 336 . 1 1 29 29 TYR HE2 H 1 6.86 0.01 . 1 . . . . . . . . 5349 1 337 . 1 1 29 29 TYR HD1 H 1 7.13 0.01 . 1 . . . . . . . . 5349 1 338 . 1 1 29 29 TYR HD2 H 1 7.13 0.01 . 1 . . . . . . . . 5349 1 339 . 1 1 30 30 PRO CD C 13 50.5 0.20 . 1 . . . . . . . . 5349 1 340 . 1 1 30 30 PRO CA C 13 62.5 0.20 . 1 . . . . . . . . 5349 1 341 . 1 1 30 30 PRO HA H 1 4.22 0.01 . 1 . . . . . . . . 5349 1 342 . 1 1 30 30 PRO CB C 13 30.9 0.20 . 1 . . . . . . . . 5349 1 343 . 1 1 30 30 PRO HB2 H 1 1.45 0.01 . 2 . . . . . . . . 5349 1 344 . 1 1 30 30 PRO HB3 H 1 1.38 0.01 . 2 . . . . . . . . 5349 1 345 . 1 1 30 30 PRO CG C 13 26.2 0.20 . 1 . . . . . . . . 5349 1 346 . 1 1 30 30 PRO HG2 H 1 0.94 0.01 . 2 . . . . . . . . 5349 1 347 . 1 1 30 30 PRO HG3 H 1 0.12 0.01 . 2 . . . . . . . . 5349 1 348 . 1 1 30 30 PRO HD2 H 1 3.40 0.01 . 2 . . . . . . . . 5349 1 349 . 1 1 30 30 PRO HD3 H 1 2.53 0.01 . 2 . . . . . . . . 5349 1 350 . 1 1 31 31 SER CA C 13 57.1 0.20 . 1 . . . . . . . . 5349 1 351 . 1 1 31 31 SER HA H 1 4.44 0.01 . 1 . . . . . . . . 5349 1 352 . 1 1 31 31 SER CB C 13 65.0 0.20 . 1 . . . . . . . . 5349 1 353 . 1 1 31 31 SER HB2 H 1 4.45 0.01 . 2 . . . . . . . . 5349 1 354 . 1 1 31 31 SER HB3 H 1 4.15 0.01 . 2 . . . . . . . . 5349 1 355 . 1 1 32 32 GLU N N 15 122.0 0.25 . 1 . . . . . . . . 5349 1 356 . 1 1 32 32 GLU H H 1 9.09 0.01 . 1 . . . . . . . . 5349 1 357 . 1 1 32 32 GLU CA C 13 60.6 0.20 . 1 . . . . . . . . 5349 1 358 . 1 1 32 32 GLU HA H 1 3.87 0.01 . 1 . . . . . . . . 5349 1 359 . 1 1 32 32 GLU CB C 13 29.0 0.20 . 1 . . . . . . . . 5349 1 360 . 1 1 32 32 GLU HB2 H 1 2.11 0.01 . 1 . . . . . . . . 5349 1 361 . 1 1 32 32 GLU HB3 H 1 2.11 0.01 . 1 . . . . . . . . 5349 1 362 . 1 1 32 32 GLU CG C 13 36.1 0.20 . 1 . . . . . . . . 5349 1 363 . 1 1 32 32 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 5349 1 364 . 1 1 32 32 GLU HG3 H 1 2.36 0.01 . 2 . . . . . . . . 5349 1 365 . 1 1 33 33 GLU N N 15 119.1 0.25 . 1 . . . . . . . . 5349 1 366 . 1 1 33 33 GLU H H 1 8.60 0.01 . 1 . . . . . . . . 5349 1 367 . 1 1 33 33 GLU CA C 13 59.8 0.20 . 1 . . . . . . . . 5349 1 368 . 1 1 33 33 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 5349 1 369 . 1 1 33 33 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 5349 1 370 . 1 1 33 33 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5349 1 371 . 1 1 33 33 GLU HB3 H 1 1.96 0.01 . 2 . . . . . . . . 5349 1 372 . 1 1 33 33 GLU CG C 13 36.8 0.20 . 1 . . . . . . . . 5349 1 373 . 1 1 33 33 GLU HG2 H 1 2.33 0.01 . 1 . . . . . . . . 5349 1 374 . 1 1 33 33 GLU HG3 H 1 2.33 0.01 . 1 . . . . . . . . 5349 1 375 . 1 1 34 34 ALA N N 15 125.1 0.25 . 1 . . . . . . . . 5349 1 376 . 1 1 34 34 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 5349 1 377 . 1 1 34 34 ALA CA C 13 54.8 0.20 . 1 . . . . . . . . 5349 1 378 . 1 1 34 34 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 5349 1 379 . 1 1 34 34 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 5349 1 380 . 1 1 34 34 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 5349 1 381 . 1 1 34 34 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 5349 1 382 . 1 1 34 34 ALA CB C 13 18.0 0.20 . 1 . . . . . . . . 5349 1 383 . 1 1 35 35 LYS N N 15 118.5 0.25 . 1 . . . . . . . . 5349 1 384 . 1 1 35 35 LYS H H 1 8.80 0.01 . 1 . . . . . . . . 5349 1 385 . 1 1 35 35 LYS CA C 13 61.0 0.20 . 1 . . . . . . . . 5349 1 386 . 1 1 35 35 LYS HA H 1 3.63 0.01 . 1 . . . . . . . . 5349 1 387 . 1 1 35 35 LYS CB C 13 33.7 0.20 . 1 . . . . . . . . 5349 1 388 . 1 1 35 35 LYS HB2 H 1 2.11 0.01 . 2 . . . . . . . . 5349 1 389 . 1 1 35 35 LYS HB3 H 1 1.62 0.01 . 2 . . . . . . . . 5349 1 390 . 1 1 35 35 LYS CG C 13 27.0 0.20 . 1 . . . . . . . . 5349 1 391 . 1 1 35 35 LYS HG3 H 1 0.76 0.01 . 2 . . . . . . . . 5349 1 392 . 1 1 35 35 LYS CD C 13 30.5 0.20 . 1 . . . . . . . . 5349 1 393 . 1 1 35 35 LYS HD2 H 1 1.64 0.01 . 2 . . . . . . . . 5349 1 394 . 1 1 35 35 LYS HD3 H 1 1.57 0.01 . 2 . . . . . . . . 5349 1 395 . 1 1 35 35 LYS CE C 13 42.0 0.20 . 1 . . . . . . . . 5349 1 396 . 1 1 35 35 LYS HE2 H 1 2.95 0.01 . 2 . . . . . . . . 5349 1 397 . 1 1 35 35 LYS HE3 H 1 2.73 0.01 . 2 . . . . . . . . 5349 1 398 . 1 1 36 36 GLU N N 15 119.1 0.25 . 1 . . . . . . . . 5349 1 399 . 1 1 36 36 GLU H H 1 7.92 0.01 . 1 . . . . . . . . 5349 1 400 . 1 1 36 36 GLU CA C 13 59.6 0.20 . 1 . . . . . . . . 5349 1 401 . 1 1 36 36 GLU HA H 1 3.90 0.01 . 1 . . . . . . . . 5349 1 402 . 1 1 36 36 GLU CB C 13 29.2 0.20 . 1 . . . . . . . . 5349 1 403 . 1 1 36 36 GLU HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5349 1 404 . 1 1 36 36 GLU HB3 H 1 2.13 0.01 . 2 . . . . . . . . 5349 1 405 . 1 1 36 36 GLU CG C 13 36.3 0.20 . 1 . . . . . . . . 5349 1 406 . 1 1 36 36 GLU HG2 H 1 2.44 0.01 . 2 . . . . . . . . 5349 1 407 . 1 1 36 36 GLU HG3 H 1 2.27 0.01 . 2 . . . . . . . . 5349 1 408 . 1 1 37 37 GLU N N 15 121.6 0.25 . 1 . . . . . . . . 5349 1 409 . 1 1 37 37 GLU H H 1 7.74 0.01 . 1 . . . . . . . . 5349 1 410 . 1 1 37 37 GLU CA C 13 59.5 0.20 . 1 . . . . . . . . 5349 1 411 . 1 1 37 37 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 5349 1 412 . 1 1 37 37 GLU CB C 13 29.5 0.20 . 1 . . . . . . . . 5349 1 413 . 1 1 37 37 GLU HB2 H 1 2.16 0.01 . 2 . . . . . . . . 5349 1 414 . 1 1 37 37 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5349 1 415 . 1 1 37 37 GLU CG C 13 36.1 0.20 . 1 . . . . . . . . 5349 1 416 . 1 1 37 37 GLU HG2 H 1 2.36 0.01 . 2 . . . . . . . . 5349 1 417 . 1 1 37 37 GLU HG3 H 1 2.22 0.01 . 2 . . . . . . . . 5349 1 418 . 1 1 38 38 LEU N N 15 120.4 0.25 . 1 . . . . . . . . 5349 1 419 . 1 1 38 38 LEU H H 1 8.48 0.01 . 1 . . . . . . . . 5349 1 420 . 1 1 38 38 LEU CA C 13 57.8 0.20 . 1 . . . . . . . . 5349 1 421 . 1 1 38 38 LEU HA H 1 3.83 0.01 . 1 . . . . . . . . 5349 1 422 . 1 1 38 38 LEU CB C 13 42.4 0.20 . 1 . . . . . . . . 5349 1 423 . 1 1 38 38 LEU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5349 1 424 . 1 1 38 38 LEU HB3 H 1 1.01 0.01 . 2 . . . . . . . . 5349 1 425 . 1 1 38 38 LEU CG C 13 26.8 0.20 . 1 . . . . . . . . 5349 1 426 . 1 1 38 38 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 5349 1 427 . 1 1 38 38 LEU HD11 H 1 0.08 0.01 . 2 . . . . . . . . 5349 1 428 . 1 1 38 38 LEU HD12 H 1 0.08 0.01 . 2 . . . . . . . . 5349 1 429 . 1 1 38 38 LEU HD13 H 1 0.08 0.01 . 2 . . . . . . . . 5349 1 430 . 1 1 38 38 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . 5349 1 431 . 1 1 38 38 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . 5349 1 432 . 1 1 38 38 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . 5349 1 433 . 1 1 38 38 LEU CD1 C 13 24.8 0.20 . 2 . . . . . . . . 5349 1 434 . 1 1 38 38 LEU CD2 C 13 23.0 0.20 . 2 . . . . . . . . 5349 1 435 . 1 1 39 39 ALA N N 15 126.1 0.25 . 1 . . . . . . . . 5349 1 436 . 1 1 39 39 ALA H H 1 8.67 0.01 . 1 . . . . . . . . 5349 1 437 . 1 1 39 39 ALA CA C 13 55.8 0.20 . 1 . . . . . . . . 5349 1 438 . 1 1 39 39 ALA HA H 1 3.59 0.01 . 1 . . . . . . . . 5349 1 439 . 1 1 39 39 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 5349 1 440 . 1 1 39 39 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 5349 1 441 . 1 1 39 39 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 5349 1 442 . 1 1 39 39 ALA CB C 13 18.3 0.20 . 1 . . . . . . . . 5349 1 443 . 1 1 40 40 LYS N N 15 118.5 0.25 . 1 . . . . . . . . 5349 1 444 . 1 1 40 40 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 5349 1 445 . 1 1 40 40 LYS CA C 13 59.3 0.20 . 1 . . . . . . . . 5349 1 446 . 1 1 40 40 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 5349 1 447 . 1 1 40 40 LYS CB C 13 32.4 0.20 . 1 . . . . . . . . 5349 1 448 . 1 1 40 40 LYS HB2 H 1 2.00 0.01 . 1 . . . . . . . . 5349 1 449 . 1 1 40 40 LYS HB3 H 1 2.00 0.01 . 1 . . . . . . . . 5349 1 450 . 1 1 40 40 LYS CG C 13 25.2 0.20 . 1 . . . . . . . . 5349 1 451 . 1 1 40 40 LYS HG2 H 1 1.64 0.01 . 2 . . . . . . . . 5349 1 452 . 1 1 40 40 LYS HG3 H 1 1.47 0.01 . 2 . . . . . . . . 5349 1 453 . 1 1 40 40 LYS CD C 13 29.3 0.20 . 1 . . . . . . . . 5349 1 454 . 1 1 40 40 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 5349 1 455 . 1 1 40 40 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 5349 1 456 . 1 1 40 40 LYS CE C 13 42.0 0.20 . 1 . . . . . . . . 5349 1 457 . 1 1 40 40 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 5349 1 458 . 1 1 40 40 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 5349 1 459 . 1 1 41 41 LYS N N 15 117.9 0.25 . 1 . . . . . . . . 5349 1 460 . 1 1 41 41 LYS H H 1 8.14 0.01 . 1 . . . . . . . . 5349 1 461 . 1 1 41 41 LYS CA C 13 59.0 0.20 . 1 . . . . . . . . 5349 1 462 . 1 1 41 41 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 5349 1 463 . 1 1 41 41 LYS CB C 13 33.8 0.20 . 1 . . . . . . . . 5349 1 464 . 1 1 41 41 LYS HB2 H 1 1.86 0.01 . 1 . . . . . . . . 5349 1 465 . 1 1 41 41 LYS HB3 H 1 1.86 0.01 . 1 . . . . . . . . 5349 1 466 . 1 1 41 41 LYS CG C 13 25.9 0.20 . 1 . . . . . . . . 5349 1 467 . 1 1 41 41 LYS HG2 H 1 1.74 0.01 . 2 . . . . . . . . 5349 1 468 . 1 1 41 41 LYS HG3 H 1 1.52 0.01 . 2 . . . . . . . . 5349 1 469 . 1 1 41 41 LYS CD C 13 29.5 0.20 . 1 . . . . . . . . 5349 1 470 . 1 1 41 41 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 5349 1 471 . 1 1 41 41 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 5349 1 472 . 1 1 41 41 LYS CE C 13 41.9 0.20 . 1 . . . . . . . . 5349 1 473 . 1 1 41 41 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 5349 1 474 . 1 1 41 41 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 5349 1 475 . 1 1 42 42 SER N N 15 112.6 0.25 . 1 . . . . . . . . 5349 1 476 . 1 1 42 42 SER H H 1 8.04 0.01 . 1 . . . . . . . . 5349 1 477 . 1 1 42 42 SER CA C 13 60.4 0.20 . 1 . . . . . . . . 5349 1 478 . 1 1 42 42 SER HA H 1 4.16 0.01 . 1 . . . . . . . . 5349 1 479 . 1 1 42 42 SER CB C 13 64.8 0.20 . 1 . . . . . . . . 5349 1 480 . 1 1 42 42 SER HB2 H 1 3.75 0.01 . 2 . . . . . . . . 5349 1 481 . 1 1 42 42 SER HB3 H 1 3.58 0.01 . 2 . . . . . . . . 5349 1 482 . 1 1 43 43 GLY N N 15 111.5 0.25 . 1 . . . . . . . . 5349 1 483 . 1 1 43 43 GLY H H 1 8.05 0.01 . 1 . . . . . . . . 5349 1 484 . 1 1 43 43 GLY CA C 13 46.2 0.20 . 1 . . . . . . . . 5349 1 485 . 1 1 43 43 GLY HA2 H 1 4.07 0.01 . 2 . . . . . . . . 5349 1 486 . 1 1 43 43 GLY HA3 H 1 3.90 0.01 . 2 . . . . . . . . 5349 1 487 . 1 1 44 44 ILE N N 15 115.4 0.25 . 1 . . . . . . . . 5349 1 488 . 1 1 44 44 ILE H H 1 7.44 0.01 . 1 . . . . . . . . 5349 1 489 . 1 1 44 44 ILE CA C 13 59.8 0.20 . 1 . . . . . . . . 5349 1 490 . 1 1 44 44 ILE HA H 1 4.83 0.01 . 1 . . . . . . . . 5349 1 491 . 1 1 44 44 ILE CB C 13 38.3 0.20 . 1 . . . . . . . . 5349 1 492 . 1 1 44 44 ILE HB H 1 2.09 0.01 . 1 . . . . . . . . 5349 1 493 . 1 1 44 44 ILE HG21 H 1 0.22 0.01 . 1 . . . . . . . . 5349 1 494 . 1 1 44 44 ILE HG22 H 1 0.22 0.01 . 1 . . . . . . . . 5349 1 495 . 1 1 44 44 ILE HG23 H 1 0.22 0.01 . 1 . . . . . . . . 5349 1 496 . 1 1 44 44 ILE CG2 C 13 16.6 0.20 . 2 . . . . . . . . 5349 1 497 . 1 1 44 44 ILE CG1 C 13 23.5 0.20 . 2 . . . . . . . . 5349 1 498 . 1 1 44 44 ILE HG12 H 1 1.25 0.01 . 2 . . . . . . . . 5349 1 499 . 1 1 44 44 ILE HG13 H 1 0.94 0.01 . 2 . . . . . . . . 5349 1 500 . 1 1 44 44 ILE HD11 H 1 0.13 0.01 . 1 . . . . . . . . 5349 1 501 . 1 1 44 44 ILE HD12 H 1 0.13 0.01 . 1 . . . . . . . . 5349 1 502 . 1 1 44 44 ILE HD13 H 1 0.13 0.01 . 1 . . . . . . . . 5349 1 503 . 1 1 44 44 ILE CD1 C 13 13.9 0.20 . 1 . . . . . . . . 5349 1 504 . 1 1 45 45 THR N N 15 109.7 0.25 . 1 . . . . . . . . 5349 1 505 . 1 1 45 45 THR H H 1 8.78 0.01 . 1 . . . . . . . . 5349 1 506 . 1 1 45 45 THR CA C 13 60.9 0.20 . 1 . . . . . . . . 5349 1 507 . 1 1 45 45 THR HA H 1 4.60 0.01 . 1 . . . . . . . . 5349 1 508 . 1 1 45 45 THR CB C 13 71.4 0.20 . 1 . . . . . . . . 5349 1 509 . 1 1 45 45 THR HB H 1 4.79 0.01 . 1 . . . . . . . . 5349 1 510 . 1 1 45 45 THR HG21 H 1 1.33 0.01 . 1 . . . . . . . . 5349 1 511 . 1 1 45 45 THR HG22 H 1 1.33 0.01 . 1 . . . . . . . . 5349 1 512 . 1 1 45 45 THR HG23 H 1 1.33 0.01 . 1 . . . . . . . . 5349 1 513 . 1 1 45 45 THR CG2 C 13 21.6 0.20 . 1 . . . . . . . . 5349 1 514 . 1 1 46 46 VAL N N 15 121.0 0.25 . 1 . . . . . . . . 5349 1 515 . 1 1 46 46 VAL H H 1 8.88 0.01 . 1 . . . . . . . . 5349 1 516 . 1 1 46 46 VAL CA C 13 67.6 0.20 . 1 . . . . . . . . 5349 1 517 . 1 1 46 46 VAL HA H 1 3.51 0.01 . 1 . . . . . . . . 5349 1 518 . 1 1 46 46 VAL CB C 13 31.5 0.20 . 1 . . . . . . . . 5349 1 519 . 1 1 46 46 VAL HB H 1 2.09 0.01 . 1 . . . . . . . . 5349 1 520 . 1 1 46 46 VAL HG11 H 1 1.00 0.01 . 2 . . . . . . . . 5349 1 521 . 1 1 46 46 VAL HG12 H 1 1.00 0.01 . 2 . . . . . . . . 5349 1 522 . 1 1 46 46 VAL HG13 H 1 1.00 0.01 . 2 . . . . . . . . 5349 1 523 . 1 1 46 46 VAL HG21 H 1 1.04 0.01 . 2 . . . . . . . . 5349 1 524 . 1 1 46 46 VAL HG22 H 1 1.04 0.01 . 2 . . . . . . . . 5349 1 525 . 1 1 46 46 VAL HG23 H 1 1.04 0.01 . 2 . . . . . . . . 5349 1 526 . 1 1 46 46 VAL CG1 C 13 21.6 0.20 . 1 . . . . . . . . 5349 1 527 . 1 1 46 46 VAL CG2 C 13 23.6 0.20 . 1 . . . . . . . . 5349 1 528 . 1 1 47 47 SER N N 15 116.7 0.25 . 1 . . . . . . . . 5349 1 529 . 1 1 47 47 SER H H 1 8.32 0.01 . 1 . . . . . . . . 5349 1 530 . 1 1 47 47 SER CA C 13 62.4 0.20 . 1 . . . . . . . . 5349 1 531 . 1 1 47 47 SER HA H 1 4.29 0.01 . 1 . . . . . . . . 5349 1 532 . 1 1 47 47 SER CB C 13 62.5 0.20 . 1 . . . . . . . . 5349 1 533 . 1 1 47 47 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 5349 1 534 . 1 1 47 47 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 5349 1 535 . 1 1 48 48 GLN N N 15 122.1 0.25 . 1 . . . . . . . . 5349 1 536 . 1 1 48 48 GLN H H 1 7.83 0.01 . 1 . . . . . . . . 5349 1 537 . 1 1 48 48 GLN CA C 13 59.6 0.20 . 1 . . . . . . . . 5349 1 538 . 1 1 48 48 GLN HA H 1 4.40 0.01 . 1 . . . . . . . . 5349 1 539 . 1 1 48 48 GLN HB2 H 1 2.61 0.01 . 2 . . . . . . . . 5349 1 540 . 1 1 48 48 GLN HB3 H 1 2.18 0.01 . 2 . . . . . . . . 5349 1 541 . 1 1 48 48 GLN CG C 13 35.1 0.20 . 1 . . . . . . . . 5349 1 542 . 1 1 48 48 GLN HG2 H 1 3.26 0.01 . 2 . . . . . . . . 5349 1 543 . 1 1 48 48 GLN HG3 H 1 2.58 0.01 . 2 . . . . . . . . 5349 1 544 . 1 1 48 48 GLN NE2 N 15 114.3 0.25 . 1 . . . . . . . . 5349 1 545 . 1 1 48 48 GLN HE21 H 1 8.74 0.01 . 1 . . . . . . . . 5349 1 546 . 1 1 48 48 GLN HE22 H 1 6.85 0.01 . 1 . . . . . . . . 5349 1 547 . 1 1 49 49 VAL N N 15 123.7 0.25 . 1 . . . . . . . . 5349 1 548 . 1 1 49 49 VAL H H 1 8.60 0.01 . 1 . . . . . . . . 5349 1 549 . 1 1 49 49 VAL CA C 13 67.7 0.20 . 1 . . . . . . . . 5349 1 550 . 1 1 49 49 VAL HA H 1 3.68 0.01 . 1 . . . . . . . . 5349 1 551 . 1 1 49 49 VAL CB C 13 31.9 0.20 . 1 . . . . . . . . 5349 1 552 . 1 1 49 49 VAL HB H 1 2.57 0.01 . 1 . . . . . . . . 5349 1 553 . 1 1 49 49 VAL HG11 H 1 1.08 0.01 . 2 . . . . . . . . 5349 1 554 . 1 1 49 49 VAL HG12 H 1 1.08 0.01 . 2 . . . . . . . . 5349 1 555 . 1 1 49 49 VAL HG13 H 1 1.08 0.01 . 2 . . . . . . . . 5349 1 556 . 1 1 49 49 VAL HG21 H 1 0.97 0.01 . 2 . . . . . . . . 5349 1 557 . 1 1 49 49 VAL HG22 H 1 0.97 0.01 . 2 . . . . . . . . 5349 1 558 . 1 1 49 49 VAL HG23 H 1 0.97 0.01 . 2 . . . . . . . . 5349 1 559 . 1 1 49 49 VAL CG1 C 13 22.8 0.20 . 1 . . . . . . . . 5349 1 560 . 1 1 49 49 VAL CG2 C 13 22.8 0.20 . 1 . . . . . . . . 5349 1 561 . 1 1 50 50 SER N N 15 117.3 0.25 . 1 . . . . . . . . 5349 1 562 . 1 1 50 50 SER H H 1 8.91 0.01 . 1 . . . . . . . . 5349 1 563 . 1 1 50 50 SER CA C 13 63.0 0.20 . 1 . . . . . . . . 5349 1 564 . 1 1 50 50 SER HA H 1 4.25 0.01 . 1 . . . . . . . . 5349 1 565 . 1 1 50 50 SER CB C 13 62.6 0.20 . 1 . . . . . . . . 5349 1 566 . 1 1 50 50 SER HB2 H 1 4.25 0.01 . 2 . . . . . . . . 5349 1 567 . 1 1 50 50 SER HB3 H 1 4.18 0.01 . 2 . . . . . . . . 5349 1 568 . 1 1 51 51 ASN N N 15 121.6 0.25 . 1 . . . . . . . . 5349 1 569 . 1 1 51 51 ASN H H 1 8.78 0.01 . 1 . . . . . . . . 5349 1 570 . 1 1 51 51 ASN CA C 13 55.5 0.20 . 1 . . . . . . . . 5349 1 571 . 1 1 51 51 ASN HA H 1 4.57 0.01 . 1 . . . . . . . . 5349 1 572 . 1 1 51 51 ASN CB C 13 37.8 0.20 . 1 . . . . . . . . 5349 1 573 . 1 1 51 51 ASN HB2 H 1 3.28 0.01 . 2 . . . . . . . . 5349 1 574 . 1 1 51 51 ASN HB3 H 1 2.79 0.01 . 2 . . . . . . . . 5349 1 575 . 1 1 51 51 ASN ND2 N 15 111.5 0.25 . 1 . . . . . . . . 5349 1 576 . 1 1 51 51 ASN HD21 H 1 8.19 0.01 . 2 . . . . . . . . 5349 1 577 . 1 1 51 51 ASN HD22 H 1 7.10 0.01 . 2 . . . . . . . . 5349 1 578 . 1 1 52 52 TRP N N 15 123.7 0.25 . 1 . . . . . . . . 5349 1 579 . 1 1 52 52 TRP H H 1 8.56 0.01 . 1 . . . . . . . . 5349 1 580 . 1 1 52 52 TRP CA C 13 61.8 0.20 . 1 . . . . . . . . 5349 1 581 . 1 1 52 52 TRP HA H 1 4.80 0.01 . 1 . . . . . . . . 5349 1 582 . 1 1 52 52 TRP CB C 13 29.4 0.20 . 1 . . . . . . . . 5349 1 583 . 1 1 52 52 TRP HB2 H 1 3.61 0.01 . 2 . . . . . . . . 5349 1 584 . 1 1 52 52 TRP HB3 H 1 3.44 0.01 . 2 . . . . . . . . 5349 1 585 . 1 1 52 52 TRP CD1 C 13 128.4 0.20 . 1 . . . . . . . . 5349 1 586 . 1 1 52 52 TRP CE3 C 13 121.0 0.20 . 1 . . . . . . . . 5349 1 587 . 1 1 52 52 TRP NE1 N 15 130.4 0.25 . 1 . . . . . . . . 5349 1 588 . 1 1 52 52 TRP HD1 H 1 7.43 0.01 . 1 . . . . . . . . 5349 1 589 . 1 1 52 52 TRP HE3 H 1 6.31 0.01 . 1 . . . . . . . . 5349 1 590 . 1 1 52 52 TRP CZ3 C 13 120.8 0.20 . 1 . . . . . . . . 5349 1 591 . 1 1 52 52 TRP CZ2 C 13 115.1 0.20 . 1 . . . . . . . . 5349 1 592 . 1 1 52 52 TRP HE1 H 1 10.31 0.01 . 1 . . . . . . . . 5349 1 593 . 1 1 52 52 TRP HZ3 H 1 5.58 0.01 . 1 . . . . . . . . 5349 1 594 . 1 1 52 52 TRP CH2 C 13 123.9 0.20 . 1 . . . . . . . . 5349 1 595 . 1 1 52 52 TRP HZ2 H 1 7.14 0.01 . 1 . . . . . . . . 5349 1 596 . 1 1 52 52 TRP HH2 H 1 6.49 0.01 . 1 . . . . . . . . 5349 1 597 . 1 1 53 53 PHE N N 15 118.7 0.25 . 1 . . . . . . . . 5349 1 598 . 1 1 53 53 PHE H H 1 8.92 0.01 . 1 . . . . . . . . 5349 1 599 . 1 1 53 53 PHE CA C 13 63.6 0.20 . 1 . . . . . . . . 5349 1 600 . 1 1 53 53 PHE HA H 1 3.90 0.01 . 1 . . . . . . . . 5349 1 601 . 1 1 53 53 PHE CB C 13 39.7 0.20 . 1 . . . . . . . . 5349 1 602 . 1 1 53 53 PHE HB2 H 1 3.44 0.01 . 2 . . . . . . . . 5349 1 603 . 1 1 53 53 PHE HB3 H 1 3.31 0.01 . 2 . . . . . . . . 5349 1 604 . 1 1 53 53 PHE CD1 C 13 132.2 0.20 . 3 . . . . . . . . 5349 1 605 . 1 1 53 53 PHE CE1 C 13 130.9 0.20 . 3 . . . . . . . . 5349 1 606 . 1 1 53 53 PHE HD1 H 1 7.80 0.01 . 1 . . . . . . . . 5349 1 607 . 1 1 53 53 PHE HD2 H 1 7.80 0.01 . 1 . . . . . . . . 5349 1 608 . 1 1 53 53 PHE HE1 H 1 7.23 0.01 . 1 . . . . . . . . 5349 1 609 . 1 1 53 53 PHE HE2 H 1 7.23 0.01 . 1 . . . . . . . . 5349 1 610 . 1 1 54 54 GLY N N 15 108.2 0.25 . 1 . . . . . . . . 5349 1 611 . 1 1 54 54 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 5349 1 612 . 1 1 54 54 GLY CA C 13 48.4 0.20 . 1 . . . . . . . . 5349 1 613 . 1 1 54 54 GLY HA2 H 1 4.08 0.01 . 2 . . . . . . . . 5349 1 614 . 1 1 54 54 GLY HA3 H 1 3.85 0.01 . 2 . . . . . . . . 5349 1 615 . 1 1 55 55 ASN N N 15 119.5 0.25 . 1 . . . . . . . . 5349 1 616 . 1 1 55 55 ASN H H 1 8.23 0.01 . 1 . . . . . . . . 5349 1 617 . 1 1 55 55 ASN CA C 13 55.7 0.20 . 1 . . . . . . . . 5349 1 618 . 1 1 55 55 ASN HA H 1 4.46 0.01 . 1 . . . . . . . . 5349 1 619 . 1 1 55 55 ASN CB C 13 38.3 0.20 . 1 . . . . . . . . 5349 1 620 . 1 1 55 55 ASN HB2 H 1 2.66 0.01 . 2 . . . . . . . . 5349 1 621 . 1 1 55 55 ASN HB3 H 1 2.46 0.01 . 2 . . . . . . . . 5349 1 622 . 1 1 56 56 LYS N N 15 121.6 0.25 . 1 . . . . . . . . 5349 1 623 . 1 1 56 56 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5349 1 624 . 1 1 56 56 LYS CA C 13 58.1 0.20 . 1 . . . . . . . . 5349 1 625 . 1 1 56 56 LYS HA H 1 3.29 0.01 . 1 . . . . . . . . 5349 1 626 . 1 1 56 56 LYS CB C 13 32.0 0.20 . 1 . . . . . . . . 5349 1 627 . 1 1 56 56 LYS HB2 H 1 0.75 0.01 . 2 . . . . . . . . 5349 1 628 . 1 1 56 56 LYS HB3 H 1 -0.06 0.01 . 2 . . . . . . . . 5349 1 629 . 1 1 56 56 LYS CG C 13 21.6 0.20 . 1 . . . . . . . . 5349 1 630 . 1 1 56 56 LYS HG2 H 1 -0.42 0.01 . 2 . . . . . . . . 5349 1 631 . 1 1 56 56 LYS HG3 H 1 -0.85 0.01 . 2 . . . . . . . . 5349 1 632 . 1 1 56 56 LYS CD C 13 28.6 0.20 . 1 . . . . . . . . 5349 1 633 . 1 1 56 56 LYS HD2 H 1 0.87 0.01 . 2 . . . . . . . . 5349 1 634 . 1 1 56 56 LYS HD3 H 1 0.12 0.01 . 2 . . . . . . . . 5349 1 635 . 1 1 56 56 LYS CE C 13 41.4 0.20 . 1 . . . . . . . . 5349 1 636 . 1 1 56 56 LYS HE2 H 1 2.14 0.01 . 1 . . . . . . . . 5349 1 637 . 1 1 56 56 LYS HE3 H 1 2.14 0.01 . 1 . . . . . . . . 5349 1 638 . 1 1 57 57 ARG N N 15 115.6 0.25 . 1 . . . . . . . . 5349 1 639 . 1 1 57 57 ARG H H 1 8.48 0.01 . 1 . . . . . . . . 5349 1 640 . 1 1 57 57 ARG CA C 13 61.2 0.20 . 1 . . . . . . . . 5349 1 641 . 1 1 57 57 ARG HA H 1 3.96 0.01 . 1 . . . . . . . . 5349 1 642 . 1 1 57 57 ARG CB C 13 32.3 0.20 . 1 . . . . . . . . 5349 1 643 . 1 1 57 57 ARG HB2 H 1 2.31 0.01 . 1 . . . . . . . . 5349 1 644 . 1 1 57 57 ARG HB3 H 1 2.31 0.01 . 1 . . . . . . . . 5349 1 645 . 1 1 57 57 ARG HG2 H 1 1.84 0.01 . 2 . . . . . . . . 5349 1 646 . 1 1 57 57 ARG HG3 H 1 1.53 0.01 . 2 . . . . . . . . 5349 1 647 . 1 1 57 57 ARG CD C 13 43.3 0.20 . 1 . . . . . . . . 5349 1 648 . 1 1 57 57 ARG HD2 H 1 2.88 0.01 . 2 . . . . . . . . 5349 1 649 . 1 1 57 57 ARG HD3 H 1 2.63 0.01 . 2 . . . . . . . . 5349 1 650 . 1 1 58 58 ILE N N 15 118.1 0.25 . 1 . . . . . . . . 5349 1 651 . 1 1 58 58 ILE H H 1 7.36 0.01 . 1 . . . . . . . . 5349 1 652 . 1 1 58 58 ILE CA C 13 63.0 0.20 . 1 . . . . . . . . 5349 1 653 . 1 1 58 58 ILE HA H 1 4.06 0.01 . 1 . . . . . . . . 5349 1 654 . 1 1 58 58 ILE CB C 13 37.3 0.20 . 1 . . . . . . . . 5349 1 655 . 1 1 58 58 ILE HB H 1 2.25 0.01 . 1 . . . . . . . . 5349 1 656 . 1 1 58 58 ILE HG21 H 1 1.16 0.01 . 1 . . . . . . . . 5349 1 657 . 1 1 58 58 ILE HG22 H 1 1.16 0.01 . 1 . . . . . . . . 5349 1 658 . 1 1 58 58 ILE HG23 H 1 1.16 0.01 . 1 . . . . . . . . 5349 1 659 . 1 1 58 58 ILE CG2 C 13 18.4 0.20 . 2 . . . . . . . . 5349 1 660 . 1 1 58 58 ILE CG1 C 13 29.8 0.20 . 2 . . . . . . . . 5349 1 661 . 1 1 58 58 ILE HG12 H 1 1.88 0.01 . 2 . . . . . . . . 5349 1 662 . 1 1 58 58 ILE HG13 H 1 1.79 0.01 . 2 . . . . . . . . 5349 1 663 . 1 1 58 58 ILE HD11 H 1 1.15 0.01 . 1 . . . . . . . . 5349 1 664 . 1 1 58 58 ILE HD12 H 1 1.15 0.01 . 1 . . . . . . . . 5349 1 665 . 1 1 58 58 ILE HD13 H 1 1.15 0.01 . 1 . . . . . . . . 5349 1 666 . 1 1 58 58 ILE CD1 C 13 12.8 0.20 . 1 . . . . . . . . 5349 1 667 . 1 1 59 59 ARG N N 15 121.4 0.25 . 1 . . . . . . . . 5349 1 668 . 1 1 59 59 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 5349 1 669 . 1 1 59 59 ARG CA C 13 60.4 0.20 . 1 . . . . . . . . 5349 1 670 . 1 1 59 59 ARG HA H 1 3.99 0.01 . 1 . . . . . . . . 5349 1 671 . 1 1 60 60 TYR N N 15 121.6 0.25 . 1 . . . . . . . . 5349 1 672 . 1 1 60 60 TYR H H 1 8.70 0.01 . 1 . . . . . . . . 5349 1 673 . 1 1 60 60 TYR CA C 13 61.2 0.20 . 1 . . . . . . . . 5349 1 674 . 1 1 60 60 TYR HA H 1 3.99 0.01 . 1 . . . . . . . . 5349 1 675 . 1 1 60 60 TYR CB C 13 39.0 0.20 . 1 . . . . . . . . 5349 1 676 . 1 1 60 60 TYR HB2 H 1 3.04 0.01 . 2 . . . . . . . . 5349 1 677 . 1 1 60 60 TYR HB3 H 1 2.69 0.01 . 2 . . . . . . . . 5349 1 678 . 1 1 60 60 TYR CD1 C 13 133.3 0.20 . 3 . . . . . . . . 5349 1 679 . 1 1 60 60 TYR CE1 C 13 118.3 0.20 . 3 . . . . . . . . 5349 1 680 . 1 1 60 60 TYR HE1 H 1 6.96 0.01 . 1 . . . . . . . . 5349 1 681 . 1 1 60 60 TYR HE2 H 1 6.96 0.01 . 1 . . . . . . . . 5349 1 682 . 1 1 60 60 TYR HD1 H 1 7.04 0.01 . 1 . . . . . . . . 5349 1 683 . 1 1 60 60 TYR HD2 H 1 7.04 0.01 . 1 . . . . . . . . 5349 1 684 . 1 1 61 61 LYS N N 15 115.8 0.25 . 1 . . . . . . . . 5349 1 685 . 1 1 61 61 LYS H H 1 7.32 0.01 . 1 . . . . . . . . 5349 1 686 . 1 1 61 61 LYS CA C 13 58.6 0.20 . 1 . . . . . . . . 5349 1 687 . 1 1 61 61 LYS HA H 1 3.95 0.01 . 1 . . . . . . . . 5349 1 688 . 1 1 61 61 LYS CB C 13 32.4 0.20 . 1 . . . . . . . . 5349 1 689 . 1 1 61 61 LYS HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5349 1 690 . 1 1 61 61 LYS HB3 H 1 1.96 0.01 . 2 . . . . . . . . 5349 1 691 . 1 1 61 61 LYS CG C 13 25.4 0.20 . 1 . . . . . . . . 5349 1 692 . 1 1 61 61 LYS HG2 H 1 1.71 0.01 . 2 . . . . . . . . 5349 1 693 . 1 1 61 61 LYS HG3 H 1 1.59 0.01 . 2 . . . . . . . . 5349 1 694 . 1 1 61 61 LYS CD C 13 29.1 0.20 . 1 . . . . . . . . 5349 1 695 . 1 1 61 61 LYS HD2 H 1 1.79 0.01 . 1 . . . . . . . . 5349 1 696 . 1 1 61 61 LYS HD3 H 1 1.79 0.01 . 1 . . . . . . . . 5349 1 697 . 1 1 61 61 LYS CE C 13 42.1 0.20 . 1 . . . . . . . . 5349 1 698 . 1 1 61 61 LYS HE2 H 1 3.08 0.01 . 1 . . . . . . . . 5349 1 699 . 1 1 61 61 LYS HE3 H 1 3.08 0.01 . 1 . . . . . . . . 5349 1 700 . 1 1 62 62 LYS N N 15 118.3 0.25 . 1 . . . . . . . . 5349 1 701 . 1 1 62 62 LYS H H 1 7.61 0.01 . 1 . . . . . . . . 5349 1 702 . 1 1 62 62 LYS CA C 13 57.9 0.20 . 1 . . . . . . . . 5349 1 703 . 1 1 62 62 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 5349 1 704 . 1 1 62 62 LYS CB C 13 33.2 0.20 . 1 . . . . . . . . 5349 1 705 . 1 1 62 62 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 5349 1 706 . 1 1 62 62 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 5349 1 707 . 1 1 62 62 LYS CG C 13 25.0 0.20 . 1 . . . . . . . . 5349 1 708 . 1 1 62 62 LYS HG2 H 1 1.64 0.01 . 2 . . . . . . . . 5349 1 709 . 1 1 62 62 LYS HG3 H 1 1.57 0.01 . 2 . . . . . . . . 5349 1 710 . 1 1 62 62 LYS CD C 13 29.1 0.20 . 1 . . . . . . . . 5349 1 711 . 1 1 62 62 LYS HD2 H 1 1.79 0.01 . 1 . . . . . . . . 5349 1 712 . 1 1 62 62 LYS HD3 H 1 1.79 0.01 . 1 . . . . . . . . 5349 1 713 . 1 1 62 62 LYS CE C 13 41.9 0.20 . 1 . . . . . . . . 5349 1 714 . 1 1 62 62 LYS HE2 H 1 3.08 0.01 . 1 . . . . . . . . 5349 1 715 . 1 1 62 62 LYS HE3 H 1 3.08 0.01 . 1 . . . . . . . . 5349 1 716 . 1 1 63 63 ASN N N 15 118.3 0.25 . 1 . . . . . . . . 5349 1 717 . 1 1 63 63 ASN H H 1 7.64 0.01 . 1 . . . . . . . . 5349 1 718 . 1 1 63 63 ASN CA C 13 52.4 0.20 . 1 . . . . . . . . 5349 1 719 . 1 1 63 63 ASN HA H 1 4.91 0.01 . 1 . . . . . . . . 5349 1 720 . 1 1 63 63 ASN CB C 13 38.8 0.20 . 1 . . . . . . . . 5349 1 721 . 1 1 63 63 ASN HB2 H 1 3.04 0.01 . 2 . . . . . . . . 5349 1 722 . 1 1 63 63 ASN HB3 H 1 2.77 0.01 . 2 . . . . . . . . 5349 1 723 . 1 1 63 63 ASN ND2 N 15 113.6 0.25 . 1 . . . . . . . . 5349 1 724 . 1 1 63 63 ASN HD21 H 1 7.81 0.01 . 2 . . . . . . . . 5349 1 725 . 1 1 63 63 ASN HD22 H 1 6.99 0.01 . 2 . . . . . . . . 5349 1 726 . 1 1 64 64 ILE N N 15 123.8 0.25 . 1 . . . . . . . . 5349 1 727 . 1 1 64 64 ILE H H 1 8.07 0.01 . 1 . . . . . . . . 5349 1 728 . 1 1 64 64 ILE CA C 13 64.6 0.20 . 1 . . . . . . . . 5349 1 729 . 1 1 64 64 ILE HA H 1 3.83 0.01 . 1 . . . . . . . . 5349 1 730 . 1 1 64 64 ILE CB C 13 38.3 0.20 . 1 . . . . . . . . 5349 1 731 . 1 1 64 64 ILE HB H 1 1.79 0.01 . 1 . . . . . . . . 5349 1 732 . 1 1 64 64 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 5349 1 733 . 1 1 64 64 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 5349 1 734 . 1 1 64 64 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 5349 1 735 . 1 1 64 64 ILE CG2 C 13 17.1 0.20 . 2 . . . . . . . . 5349 1 736 . 1 1 64 64 ILE CG1 C 13 28.4 0.20 . 2 . . . . . . . . 5349 1 737 . 1 1 64 64 ILE HG12 H 1 1.41 0.01 . 2 . . . . . . . . 5349 1 738 . 1 1 64 64 ILE HG13 H 1 1.00 0.01 . 2 . . . . . . . . 5349 1 739 . 1 1 64 64 ILE HD11 H 1 0.86 0.01 . 1 . . . . . . . . 5349 1 740 . 1 1 64 64 ILE HD12 H 1 0.86 0.01 . 1 . . . . . . . . 5349 1 741 . 1 1 64 64 ILE HD13 H 1 0.86 0.01 . 1 . . . . . . . . 5349 1 742 . 1 1 64 64 ILE CD1 C 13 13.5 0.20 . 1 . . . . . . . . 5349 1 743 . 1 1 65 65 GLY N N 15 109.5 0.25 . 1 . . . . . . . . 5349 1 744 . 1 1 65 65 GLY H H 1 8.58 0.01 . 1 . . . . . . . . 5349 1 745 . 1 1 65 65 GLY CA C 13 46.7 0.20 . 1 . . . . . . . . 5349 1 746 . 1 1 65 65 GLY HA2 H 1 3.95 0.01 . 1 . . . . . . . . 5349 1 747 . 1 1 65 65 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 5349 1 748 . 1 1 66 66 LYS N N 15 122.2 0.25 . 1 . . . . . . . . 5349 1 749 . 1 1 66 66 LYS H H 1 7.71 0.01 . 1 . . . . . . . . 5349 1 750 . 1 1 66 66 LYS CA C 13 57.8 0.20 . 1 . . . . . . . . 5349 1 751 . 1 1 66 66 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 5349 1 752 . 1 1 66 66 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 5349 1 753 . 1 1 66 66 LYS HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5349 1 754 . 1 1 66 66 LYS HB3 H 1 1.71 0.01 . 2 . . . . . . . . 5349 1 755 . 1 1 66 66 LYS CG C 13 24.8 0.20 . 1 . . . . . . . . 5349 1 756 . 1 1 66 66 LYS HG2 H 1 1.32 0.01 . 2 . . . . . . . . 5349 1 757 . 1 1 66 66 LYS HG3 H 1 1.14 0.01 . 2 . . . . . . . . 5349 1 758 . 1 1 66 66 LYS CD C 13 29.2 0.20 . 1 . . . . . . . . 5349 1 759 . 1 1 66 66 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 5349 1 760 . 1 1 66 66 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 5349 1 761 . 1 1 66 66 LYS CE C 13 42.0 0.20 . 1 . . . . . . . . 5349 1 762 . 1 1 66 66 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 5349 1 763 . 1 1 66 66 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 5349 1 764 . 1 1 67 67 PHE N N 15 118.5 0.25 . 1 . . . . . . . . 5349 1 765 . 1 1 67 67 PHE H H 1 7.85 0.01 . 1 . . . . . . . . 5349 1 766 . 1 1 67 67 PHE CA C 13 59.2 0.20 . 1 . . . . . . . . 5349 1 767 . 1 1 67 67 PHE HA H 1 4.73 0.01 . 1 . . . . . . . . 5349 1 768 . 1 1 67 67 PHE CB C 13 40.0 0.20 . 1 . . . . . . . . 5349 1 769 . 1 1 67 67 PHE HB2 H 1 4.04 0.01 . 2 . . . . . . . . 5349 1 770 . 1 1 67 67 PHE HB3 H 1 3.15 0.01 . 2 . . . . . . . . 5349 1 771 . 1 1 67 67 PHE CD1 C 13 132.8 0.20 . 3 . . . . . . . . 5349 1 772 . 1 1 67 67 PHE CE1 C 13 131.5 0.20 . 3 . . . . . . . . 5349 1 773 . 1 1 67 67 PHE CZ C 13 129.6 0.20 . 1 . . . . . . . . 5349 1 774 . 1 1 67 67 PHE HZ H 1 7.31 0.01 . 1 . . . . . . . . 5349 1 775 . 1 1 67 67 PHE HD1 H 1 7.58 0.01 . 1 . . . . . . . . 5349 1 776 . 1 1 67 67 PHE HD2 H 1 7.58 0.01 . 1 . . . . . . . . 5349 1 777 . 1 1 67 67 PHE HE1 H 1 7.38 0.01 . 1 . . . . . . . . 5349 1 778 . 1 1 67 67 PHE HE2 H 1 7.38 0.01 . 1 . . . . . . . . 5349 1 779 . 1 1 68 68 GLN N N 15 121.0 0.25 . 1 . . . . . . . . 5349 1 780 . 1 1 68 68 GLN H H 1 7.84 0.01 . 1 . . . . . . . . 5349 1 781 . 1 1 68 68 GLN CA C 13 58.7 0.20 . 1 . . . . . . . . 5349 1 782 . 1 1 68 68 GLN HA H 1 4.18 0.01 . 1 . . . . . . . . 5349 1 783 . 1 1 68 68 GLN CB C 13 29.0 0.20 . 1 . . . . . . . . 5349 1 784 . 1 1 68 68 GLN HB2 H 1 2.26 0.01 . 2 . . . . . . . . 5349 1 785 . 1 1 68 68 GLN HB3 H 1 2.15 0.01 . 2 . . . . . . . . 5349 1 786 . 1 1 68 68 GLN CG C 13 34.1 0.20 . 1 . . . . . . . . 5349 1 787 . 1 1 68 68 GLN HG2 H 1 2.51 0.01 . 1 . . . . . . . . 5349 1 788 . 1 1 68 68 GLN HG3 H 1 2.51 0.01 . 1 . . . . . . . . 5349 1 789 . 1 1 68 68 GLN NE2 N 15 114.0 0.25 . 1 . . . . . . . . 5349 1 790 . 1 1 68 68 GLN HE21 H 1 7.51 0.01 . 1 . . . . . . . . 5349 1 791 . 1 1 68 68 GLN HE22 H 1 6.97 0.01 . 1 . . . . . . . . 5349 1 792 . 1 1 69 69 GLU N N 15 120.2 0.25 . 1 . . . . . . . . 5349 1 793 . 1 1 69 69 GLU H H 1 8.27 0.01 . 1 . . . . . . . . 5349 1 794 . 1 1 69 69 GLU CA C 13 59.2 0.20 . 1 . . . . . . . . 5349 1 795 . 1 1 69 69 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 5349 1 796 . 1 1 69 69 GLU CB C 13 29.2 0.20 . 1 . . . . . . . . 5349 1 797 . 1 1 69 69 GLU HB2 H 1 2.12 0.01 . 1 . . . . . . . . 5349 1 798 . 1 1 69 69 GLU HB3 H 1 2.12 0.01 . 1 . . . . . . . . 5349 1 799 . 1 1 69 69 GLU CG C 13 36.5 0.20 . 1 . . . . . . . . 5349 1 800 . 1 1 69 69 GLU HG2 H 1 2.37 0.01 . 2 . . . . . . . . 5349 1 801 . 1 1 69 69 GLU HG3 H 1 2.29 0.01 . 2 . . . . . . . . 5349 1 802 . 1 1 70 70 GLU N N 15 121.8 0.25 . 1 . . . . . . . . 5349 1 803 . 1 1 70 70 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 5349 1 804 . 1 1 70 70 GLU CA C 13 59.4 0.20 . 1 . . . . . . . . 5349 1 805 . 1 1 70 70 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 5349 1 806 . 1 1 70 70 GLU CB C 13 30.1 0.20 . 1 . . . . . . . . 5349 1 807 . 1 1 70 70 GLU HB2 H 1 2.36 0.01 . 1 . . . . . . . . 5349 1 808 . 1 1 70 70 GLU HB3 H 1 2.36 0.01 . 1 . . . . . . . . 5349 1 809 . 1 1 70 70 GLU CG C 13 36.6 0.20 . 1 . . . . . . . . 5349 1 810 . 1 1 70 70 GLU HG2 H 1 2.60 0.01 . 2 . . . . . . . . 5349 1 811 . 1 1 70 70 GLU HG3 H 1 2.49 0.01 . 2 . . . . . . . . 5349 1 812 . 1 1 71 71 ALA N N 15 122.8 0.25 . 1 . . . . . . . . 5349 1 813 . 1 1 71 71 ALA H H 1 8.60 0.01 . 1 . . . . . . . . 5349 1 814 . 1 1 71 71 ALA CA C 13 54.8 0.20 . 1 . . . . . . . . 5349 1 815 . 1 1 71 71 ALA HA H 1 3.38 0.01 . 1 . . . . . . . . 5349 1 816 . 1 1 71 71 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5349 1 817 . 1 1 71 71 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5349 1 818 . 1 1 71 71 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5349 1 819 . 1 1 71 71 ALA CB C 13 18.5 0.20 . 1 . . . . . . . . 5349 1 820 . 1 1 72 72 ASN N N 15 116.7 0.25 . 1 . . . . . . . . 5349 1 821 . 1 1 72 72 ASN H H 1 7.94 0.01 . 1 . . . . . . . . 5349 1 822 . 1 1 72 72 ASN CA C 13 55.2 0.20 . 1 . . . . . . . . 5349 1 823 . 1 1 72 72 ASN HA H 1 4.51 0.01 . 1 . . . . . . . . 5349 1 824 . 1 1 72 72 ASN CB C 13 38.3 0.20 . 1 . . . . . . . . 5349 1 825 . 1 1 72 72 ASN HB2 H 1 2.97 0.01 . 2 . . . . . . . . 5349 1 826 . 1 1 72 72 ASN HB3 H 1 2.85 0.01 . 2 . . . . . . . . 5349 1 827 . 1 1 72 72 ASN ND2 N 15 113.0 0.25 . 1 . . . . . . . . 5349 1 828 . 1 1 72 72 ASN HD21 H 1 7.62 0.01 . 2 . . . . . . . . 5349 1 829 . 1 1 72 72 ASN HD22 H 1 6.92 0.01 . 2 . . . . . . . . 5349 1 830 . 1 1 73 73 ILE N N 15 122.2 0.25 . 1 . . . . . . . . 5349 1 831 . 1 1 73 73 ILE H H 1 7.83 0.01 . 1 . . . . . . . . 5349 1 832 . 1 1 73 73 ILE CA C 13 64.1 0.20 . 1 . . . . . . . . 5349 1 833 . 1 1 73 73 ILE HA H 1 3.76 0.01 . 1 . . . . . . . . 5349 1 834 . 1 1 73 73 ILE CB C 13 38.1 0.20 . 1 . . . . . . . . 5349 1 835 . 1 1 73 73 ILE HB H 1 1.83 0.01 . 1 . . . . . . . . 5349 1 836 . 1 1 73 73 ILE HG21 H 1 0.44 0.01 . 1 . . . . . . . . 5349 1 837 . 1 1 73 73 ILE HG22 H 1 0.44 0.01 . 1 . . . . . . . . 5349 1 838 . 1 1 73 73 ILE HG23 H 1 0.44 0.01 . 1 . . . . . . . . 5349 1 839 . 1 1 73 73 ILE CG2 C 13 16.5 0.20 . 2 . . . . . . . . 5349 1 840 . 1 1 73 73 ILE CG1 C 13 28.4 0.20 . 2 . . . . . . . . 5349 1 841 . 1 1 73 73 ILE HG12 H 1 1.56 0.01 . 2 . . . . . . . . 5349 1 842 . 1 1 73 73 ILE HG13 H 1 1.09 0.01 . 2 . . . . . . . . 5349 1 843 . 1 1 73 73 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 5349 1 844 . 1 1 73 73 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 5349 1 845 . 1 1 73 73 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 5349 1 846 . 1 1 73 73 ILE CD1 C 13 13.1 0.20 . 1 . . . . . . . . 5349 1 847 . 1 1 74 74 TYR N N 15 119.1 0.25 . 1 . . . . . . . . 5349 1 848 . 1 1 74 74 TYR H H 1 7.81 0.01 . 1 . . . . . . . . 5349 1 849 . 1 1 74 74 TYR CA C 13 61.2 0.20 . 1 . . . . . . . . 5349 1 850 . 1 1 74 74 TYR HA H 1 4.28 0.01 . 1 . . . . . . . . 5349 1 851 . 1 1 74 74 TYR CB C 13 38.6 0.20 . 1 . . . . . . . . 5349 1 852 . 1 1 74 74 TYR HB2 H 1 3.29 0.01 . 2 . . . . . . . . 5349 1 853 . 1 1 74 74 TYR HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5349 1 854 . 1 1 74 74 TYR CD1 C 13 133.7 0.20 . 3 . . . . . . . . 5349 1 855 . 1 1 74 74 TYR CE1 C 13 118.4 0.20 . 3 . . . . . . . . 5349 1 856 . 1 1 74 74 TYR HE1 H 1 6.94 0.01 . 1 . . . . . . . . 5349 1 857 . 1 1 74 74 TYR HE2 H 1 6.94 0.01 . 1 . . . . . . . . 5349 1 858 . 1 1 74 74 TYR HD1 H 1 7.26 0.01 . 1 . . . . . . . . 5349 1 859 . 1 1 74 74 TYR HD2 H 1 7.26 0.01 . 1 . . . . . . . . 5349 1 860 . 1 1 75 75 ALA N N 15 124.1 0.25 . 1 . . . . . . . . 5349 1 861 . 1 1 75 75 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 5349 1 862 . 1 1 75 75 ALA CA C 13 53.7 0.20 . 1 . . . . . . . . 5349 1 863 . 1 1 75 75 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 5349 1 864 . 1 1 75 75 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5349 1 865 . 1 1 75 75 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5349 1 866 . 1 1 75 75 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5349 1 867 . 1 1 75 75 ALA CB C 13 18.6 0.20 . 1 . . . . . . . . 5349 1 868 . 1 1 76 76 ALA N N 15 121.6 0.25 . 1 . . . . . . . . 5349 1 869 . 1 1 76 76 ALA H H 1 7.76 0.01 . 1 . . . . . . . . 5349 1 870 . 1 1 76 76 ALA CA C 13 53.1 0.20 . 1 . . . . . . . . 5349 1 871 . 1 1 76 76 ALA HA H 1 4.29 0.01 . 1 . . . . . . . . 5349 1 872 . 1 1 76 76 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 5349 1 873 . 1 1 76 76 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5349 1 874 . 1 1 76 76 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5349 1 875 . 1 1 76 76 ALA CB C 13 18.8 0.20 . 1 . . . . . . . . 5349 1 876 . 1 1 77 77 LYS N N 15 120.0 0.25 . 1 . . . . . . . . 5349 1 877 . 1 1 77 77 LYS H H 1 7.93 0.01 . 1 . . . . . . . . 5349 1 878 . 1 1 77 77 LYS CA C 13 57.0 0.20 . 1 . . . . . . . . 5349 1 879 . 1 1 77 77 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 5349 1 880 . 1 1 77 77 LYS CB C 13 33.0 0.20 . 1 . . . . . . . . 5349 1 881 . 1 1 77 77 LYS HB2 H 1 1.95 0.01 . 2 . . . . . . . . 5349 1 882 . 1 1 77 77 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5349 1 883 . 1 1 77 77 LYS CG C 13 25.0 0.20 . 1 . . . . . . . . 5349 1 884 . 1 1 77 77 LYS HG2 H 1 1.56 0.01 . 2 . . . . . . . . 5349 1 885 . 1 1 77 77 LYS HG3 H 1 1.50 0.01 . 2 . . . . . . . . 5349 1 886 . 1 1 77 77 LYS CD C 13 29.2 0.20 . 1 . . . . . . . . 5349 1 887 . 1 1 77 77 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 5349 1 888 . 1 1 77 77 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 5349 1 889 . 1 1 77 77 LYS CE C 13 41.9 0.20 . 1 . . . . . . . . 5349 1 890 . 1 1 77 77 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 5349 1 891 . 1 1 77 77 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 5349 1 892 . 1 1 78 78 THR N N 15 114.2 0.25 . 1 . . . . . . . . 5349 1 893 . 1 1 78 78 THR H H 1 7.91 0.01 . 1 . . . . . . . . 5349 1 894 . 1 1 78 78 THR CA C 13 62.0 0.20 . 1 . . . . . . . . 5349 1 895 . 1 1 78 78 THR HA H 1 4.34 0.01 . 1 . . . . . . . . 5349 1 896 . 1 1 78 78 THR CB C 13 69.8 0.20 . 1 . . . . . . . . 5349 1 897 . 1 1 78 78 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 5349 1 898 . 1 1 78 78 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5349 1 899 . 1 1 78 78 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5349 1 900 . 1 1 78 78 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5349 1 901 . 1 1 78 78 THR CG2 C 13 21.7 0.20 . 1 . . . . . . . . 5349 1 902 . 1 1 79 79 ALA N N 15 127.2 0.25 . 1 . . . . . . . . 5349 1 903 . 1 1 79 79 ALA H H 1 8.07 0.01 . 1 . . . . . . . . 5349 1 904 . 1 1 79 79 ALA CA C 13 52.5 0.20 . 1 . . . . . . . . 5349 1 905 . 1 1 79 79 ALA HA H 1 4.40 0.01 . 1 . . . . . . . . 5349 1 906 . 1 1 79 79 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 5349 1 907 . 1 1 79 79 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5349 1 908 . 1 1 79 79 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5349 1 909 . 1 1 79 79 ALA CB C 13 19.3 0.20 . 1 . . . . . . . . 5349 1 910 . 1 1 80 80 VAL N N 15 120.2 0.25 . 1 . . . . . . . . 5349 1 911 . 1 1 80 80 VAL H H 1 8.10 0.01 . 1 . . . . . . . . 5349 1 912 . 1 1 80 80 VAL CA C 13 62.3 0.20 . 1 . . . . . . . . 5349 1 913 . 1 1 80 80 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 5349 1 914 . 1 1 80 80 VAL CB C 13 32.9 0.20 . 1 . . . . . . . . 5349 1 915 . 1 1 80 80 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 5349 1 916 . 1 1 80 80 VAL HG11 H 1 0.98 0.01 . 2 . . . . . . . . 5349 1 917 . 1 1 80 80 VAL HG12 H 1 0.98 0.01 . 2 . . . . . . . . 5349 1 918 . 1 1 80 80 VAL HG13 H 1 0.98 0.01 . 2 . . . . . . . . 5349 1 919 . 1 1 80 80 VAL HG21 H 1 1.00 0.01 . 2 . . . . . . . . 5349 1 920 . 1 1 80 80 VAL HG22 H 1 1.00 0.01 . 2 . . . . . . . . 5349 1 921 . 1 1 80 80 VAL HG23 H 1 1.00 0.01 . 2 . . . . . . . . 5349 1 922 . 1 1 80 80 VAL CG1 C 13 21.3 0.20 . 1 . . . . . . . . 5349 1 923 . 1 1 80 80 VAL CG2 C 13 20.5 0.20 . 1 . . . . . . . . 5349 1 924 . 1 1 81 81 THR N N 15 119.1 0.25 . 1 . . . . . . . . 5349 1 925 . 1 1 81 81 THR H H 1 8.21 0.01 . 1 . . . . . . . . 5349 1 926 . 1 1 81 81 THR CA C 13 61.6 0.20 . 1 . . . . . . . . 5349 1 927 . 1 1 81 81 THR HA H 1 4.40 0.01 . 1 . . . . . . . . 5349 1 928 . 1 1 81 81 THR CB C 13 70.0 0.20 . 1 . . . . . . . . 5349 1 929 . 1 1 81 81 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 5349 1 930 . 1 1 81 81 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5349 1 931 . 1 1 81 81 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5349 1 932 . 1 1 81 81 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5349 1 933 . 1 1 81 81 THR CG2 C 13 21.5 0.20 . 1 . . . . . . . . 5349 1 934 . 1 1 82 82 ALA N N 15 106.8 0.25 . 1 . . . . . . . . 5349 1 935 . 1 1 82 82 ALA H H 1 8.00 0.01 . 1 . . . . . . . . 5349 1 936 . 1 1 82 82 ALA CA C 13 53.9 0.20 . 1 . . . . . . . . 5349 1 937 . 1 1 82 82 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 5349 1 938 . 1 1 82 82 ALA HB1 H 1 1.36 0.01 . 1 . . . . . . . . 5349 1 939 . 1 1 82 82 ALA HB2 H 1 1.36 0.01 . 1 . . . . . . . . 5349 1 940 . 1 1 82 82 ALA HB3 H 1 1.36 0.01 . 1 . . . . . . . . 5349 1 941 . 1 1 82 82 ALA CB C 13 20.3 0.20 . 1 . . . . . . . . 5349 1 stop_ save_ save_DNA_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode DNA_chemical_shifts _Assigned_chem_shift_list.Entry_ID 5349 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 2 $sample_2 . 5349 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 DG H4' H 1 3.72 0.01 . 1 . . . . . . . . 5349 2 2 . 2 2 1 1 DG C1' C 13 85.2 0.20 . 1 . . . . . . . . 5349 2 3 . 2 2 1 1 DG H1' H 1 6.00 0.01 . 1 . . . . . . . . 5349 2 4 . 2 2 1 1 DG C8 C 13 138.8 0.20 . 1 . . . . . . . . 5349 2 5 . 2 2 1 1 DG H8 H 1 7.96 0.01 . 1 . . . . . . . . 5349 2 6 . 2 2 1 1 DG H2' H 1 2.80 0.01 . 1 . . . . . . . . 5349 2 7 . 2 2 1 1 DG H2'' H 1 2.60 0.01 . 1 . . . . . . . . 5349 2 8 . 2 2 1 1 DG H3' H 1 4.86 0.01 . 1 . . . . . . . . 5349 2 9 . 2 2 2 2 DC H4' H 1 4.20 0.01 . 1 . . . . . . . . 5349 2 10 . 2 2 2 2 DC C1' C 13 86.6 0.20 . 1 . . . . . . . . 5349 2 11 . 2 2 2 2 DC H1' H 1 5.75 0.01 . 1 . . . . . . . . 5349 2 12 . 2 2 2 2 DC C6 C 13 142.8 0.20 . 1 . . . . . . . . 5349 2 13 . 2 2 2 2 DC H6 H 1 7.39 0.01 . 1 . . . . . . . . 5349 2 14 . 2 2 2 2 DC C5 C 13 98.3 0.20 . 1 . . . . . . . . 5349 2 15 . 2 2 2 2 DC H5 H 1 5.40 0.01 . 1 . . . . . . . . 5349 2 16 . 2 2 2 2 DC H2' H 1 2.43 0.01 . 1 . . . . . . . . 5349 2 17 . 2 2 2 2 DC H2'' H 1 2.07 0.01 . 1 . . . . . . . . 5349 2 18 . 2 2 2 2 DC H3' H 1 4.87 0.01 . 1 . . . . . . . . 5349 2 19 . 2 2 3 3 DG H4' H 1 4.37 0.01 . 1 . . . . . . . . 5349 2 20 . 2 2 3 3 DG H1' H 1 5.86 0.01 . 1 . . . . . . . . 5349 2 21 . 2 2 3 3 DG H8 H 1 7.88 0.01 . 1 . . . . . . . . 5349 2 22 . 2 2 3 3 DG H1 H 1 12.92 0.01 . 1 . . . . . . . . 5349 2 23 . 2 2 3 3 DG H2' H 1 2.72 0.01 . 1 . . . . . . . . 5349 2 24 . 2 2 3 3 DG H2'' H 1 2.64 0.01 . 1 . . . . . . . . 5349 2 25 . 2 2 3 3 DG H3' H 1 4.99 0.01 . 1 . . . . . . . . 5349 2 26 . 2 2 4 4 DC H4' H 1 4.19 0.01 . 1 . . . . . . . . 5349 2 27 . 2 2 4 4 DC C1' C 13 86.6 0.20 . 1 . . . . . . . . 5349 2 28 . 2 2 4 4 DC H1' H 1 5.61 0.01 . 1 . . . . . . . . 5349 2 29 . 2 2 4 4 DC C6 C 13 142.5 0.20 . 1 . . . . . . . . 5349 2 30 . 2 2 4 4 DC H6 H 1 7.36 0.01 . 1 . . . . . . . . 5349 2 31 . 2 2 4 4 DC C5 C 13 98.7 0.20 . 1 . . . . . . . . 5349 2 32 . 2 2 4 4 DC H5 H 1 5.41 0.01 . 1 . . . . . . . . 5349 2 33 . 2 2 4 4 DC H2' H 1 2.43 0.01 . 1 . . . . . . . . 5349 2 34 . 2 2 4 4 DC H2'' H 1 2.10 0.01 . 1 . . . . . . . . 5349 2 35 . 2 2 4 4 DC H3' H 1 4.84 0.01 . 1 . . . . . . . . 5349 2 36 . 2 2 5 5 DA H4' H 1 4.40 0.01 . 1 . . . . . . . . 5349 2 37 . 2 2 5 5 DA C1' C 13 85.2 0.20 . 1 . . . . . . . . 5349 2 38 . 2 2 5 5 DA H1' H 1 6.22 0.01 . 1 . . . . . . . . 5349 2 39 . 2 2 5 5 DA C8 C 13 141.7 0.20 . 1 . . . . . . . . 5349 2 40 . 2 2 5 5 DA H8 H 1 8.20 0.01 . 1 . . . . . . . . 5349 2 41 . 2 2 5 5 DA H2' H 1 2.93 0.01 . 1 . . . . . . . . 5349 2 42 . 2 2 5 5 DA H2'' H 1 2.55 0.01 . 1 . . . . . . . . 5349 2 43 . 2 2 5 5 DA H3' H 1 5.00 0.01 . 1 . . . . . . . . 5349 2 44 . 2 2 6 6 DT H4' H 1 4.03 0.01 . 1 . . . . . . . . 5349 2 45 . 2 2 6 6 DT H1' H 1 5.25 0.01 . 1 . . . . . . . . 5349 2 46 . 2 2 6 6 DT C6 C 13 138.7 0.20 . 1 . . . . . . . . 5349 2 47 . 2 2 6 6 DT H6 H 1 6.94 0.01 . 1 . . . . . . . . 5349 2 48 . 2 2 6 6 DT H71 H 1 1.3 0.20 . 1 . . . . . . . . 5349 2 49 . 2 2 6 6 DT H72 H 1 1.3 0.20 . 1 . . . . . . . . 5349 2 50 . 2 2 6 6 DT H73 H 1 1.3 0.20 . 1 . . . . . . . . 5349 2 51 . 2 2 6 6 DT H3 H 1 13.63 0.01 . 1 . . . . . . . . 5349 2 52 . 2 2 6 6 DT H2' H 1 1.97 0.01 . 1 . . . . . . . . 5349 2 53 . 2 2 6 6 DT H2'' H 1 1.91 0.01 . 1 . . . . . . . . 5349 2 54 . 2 2 6 6 DT H3' H 1 4.82 0.01 . 1 . . . . . . . . 5349 2 55 . 2 2 7 7 DG H1' H 1 5.88 0.01 . 1 . . . . . . . . 5349 2 56 . 2 2 7 7 DG C8 C 13 138.7 0.20 . 1 . . . . . . . . 5349 2 57 . 2 2 7 7 DG H8 H 1 7.70 0.01 . 1 . . . . . . . . 5349 2 58 . 2 2 7 7 DG H1 H 1 13.52 0.01 . 1 . . . . . . . . 5349 2 59 . 2 2 7 7 DG H2' H 1 3.10 0.01 . 1 . . . . . . . . 5349 2 60 . 2 2 7 7 DG H2'' H 1 2.80 0.01 . 1 . . . . . . . . 5349 2 61 . 2 2 8 8 DA H4' H 1 4.43 0.01 . 1 . . . . . . . . 5349 2 62 . 2 2 8 8 DA C1' C 13 84.5 0.20 . 1 . . . . . . . . 5349 2 63 . 2 2 8 8 DA H1' H 1 6.14 0.01 . 1 . . . . . . . . 5349 2 64 . 2 2 8 8 DA H8 H 1 7.51 0.01 . 1 . . . . . . . . 5349 2 65 . 2 2 8 8 DA H2 H 1 7.63 0.01 . 1 . . . . . . . . 5349 2 66 . 2 2 8 8 DA H2' H 1 2.82 0.01 . 1 . . . . . . . . 5349 2 67 . 2 2 8 8 DA H2'' H 1 2.47 0.01 . 1 . . . . . . . . 5349 2 68 . 2 2 8 8 DA H3' H 1 4.98 0.01 . 1 . . . . . . . . 5349 2 69 . 2 2 9 9 DT H1' H 1 5.96 0.01 . 1 . . . . . . . . 5349 2 70 . 2 2 9 9 DT C6 C 13 138.2 0.20 . 1 . . . . . . . . 5349 2 71 . 2 2 9 9 DT H6 H 1 7.17 0.01 . 1 . . . . . . . . 5349 2 72 . 2 2 9 9 DT H71 H 1 1.1 0.20 . 1 . . . . . . . . 5349 2 73 . 2 2 9 9 DT H72 H 1 1.1 0.20 . 1 . . . . . . . . 5349 2 74 . 2 2 9 9 DT H73 H 1 1.1 0.20 . 1 . . . . . . . . 5349 2 75 . 2 2 9 9 DT H3 H 1 13.06 0.01 . 1 . . . . . . . . 5349 2 76 . 2 2 9 9 DT H2' H 1 2.47 0.01 . 1 . . . . . . . . 5349 2 77 . 2 2 9 9 DT H2'' H 1 2.01 0.01 . 1 . . . . . . . . 5349 2 78 . 2 2 9 9 DT H3' H 1 4.82 0.01 . 1 . . . . . . . . 5349 2 79 . 2 2 10 10 DT H1' H 1 5.73 0.01 . 1 . . . . . . . . 5349 2 80 . 2 2 10 10 DT C6 C 13 139.7 0.20 . 1 . . . . . . . . 5349 2 81 . 2 2 10 10 DT H6 H 1 7.30 0.01 . 1 . . . . . . . . 5349 2 82 . 2 2 10 10 DT H71 H 1 1.6 0.20 . 1 . . . . . . . . 5349 2 83 . 2 2 10 10 DT H72 H 1 1.6 0.20 . 1 . . . . . . . . 5349 2 84 . 2 2 10 10 DT H73 H 1 1.6 0.20 . 1 . . . . . . . . 5349 2 85 . 2 2 10 10 DT H3 H 1 13.36 0.01 . 1 . . . . . . . . 5349 2 86 . 2 2 10 10 DT H2' H 1 2.40 0.01 . 1 . . . . . . . . 5349 2 87 . 2 2 10 10 DT H2'' H 1 2.08 0.01 . 1 . . . . . . . . 5349 2 88 . 2 2 10 10 DT H3' H 1 4.88 0.01 . 1 . . . . . . . . 5349 2 89 . 2 2 11 11 DG H4' H 1 4.43 0.01 . 1 . . . . . . . . 5349 2 90 . 2 2 11 11 DG H1' H 1 5.99 0.01 . 1 . . . . . . . . 5349 2 91 . 2 2 11 11 DG H8 H 1 7.92 0.01 . 1 . . . . . . . . 5349 2 92 . 2 2 11 11 DG H1 H 1 12.55 0.01 . 1 . . . . . . . . 5349 2 93 . 2 2 11 11 DG H2' H 1 2.81 0.01 . 1 . . . . . . . . 5349 2 94 . 2 2 11 11 DG H2'' H 1 2.71 0.01 . 1 . . . . . . . . 5349 2 95 . 2 2 11 11 DG H3' H 1 5.00 0.01 . 1 . . . . . . . . 5349 2 96 . 2 2 12 12 DC C1' C 13 86.6 0.20 . 1 . . . . . . . . 5349 2 97 . 2 2 12 12 DC H1' H 1 5.88 0.01 . 1 . . . . . . . . 5349 2 98 . 2 2 12 12 DC H6 H 1 7.32 0.01 . 1 . . . . . . . . 5349 2 99 . 2 2 12 12 DC C5 C 13 98.0 0.20 . 1 . . . . . . . . 5349 2 100 . 2 2 12 12 DC H5 H 1 5.35 0.01 . 1 . . . . . . . . 5349 2 101 . 2 2 12 12 DC H2' H 1 2.50 0.01 . 1 . . . . . . . . 5349 2 102 . 2 2 12 12 DC H2'' H 1 2.17 0.01 . 1 . . . . . . . . 5349 2 103 . 2 2 12 12 DC H3' H 1 4.99 0.01 . 1 . . . . . . . . 5349 2 104 . 2 2 13 13 DC H4' H 1 4.14 0.01 . 1 . . . . . . . . 5349 2 105 . 2 2 13 13 DC C1' C 13 86.9 0.20 . 1 . . . . . . . . 5349 2 106 . 2 2 13 13 DC H1' H 1 6.02 0.01 . 1 . . . . . . . . 5349 2 107 . 2 2 13 13 DC C6 C 13 143.2 0.20 . 1 . . . . . . . . 5349 2 108 . 2 2 13 13 DC H6 H 1 7.56 0.01 . 1 . . . . . . . . 5349 2 109 . 2 2 13 13 DC C5 C 13 98.7 0.20 . 1 . . . . . . . . 5349 2 110 . 2 2 13 13 DC H5 H 1 5.60 0.01 . 1 . . . . . . . . 5349 2 111 . 2 2 13 13 DC H2' H 1 2.48 0.01 . 1 . . . . . . . . 5349 2 112 . 2 2 13 13 DC H2'' H 1 2.19 0.01 . 1 . . . . . . . . 5349 2 113 . 2 2 13 13 DC H3' H 1 4.82 0.01 . 1 . . . . . . . . 5349 2 114 . 2 2 14 14 DC H4' H 1 4.05 0.01 . 1 . . . . . . . . 5349 2 115 . 2 2 14 14 DC C1' C 13 87.1 0.20 . 1 . . . . . . . . 5349 2 116 . 2 2 14 14 DC H1' H 1 6.27 0.01 . 1 . . . . . . . . 5349 2 117 . 2 2 14 14 DC C6 C 13 144.2 0.20 . 1 . . . . . . . . 5349 2 118 . 2 2 14 14 DC H6 H 1 7.72 0.01 . 1 . . . . . . . . 5349 2 119 . 2 2 14 14 DC C5 C 13 99.0 0.20 . 1 . . . . . . . . 5349 2 120 . 2 2 14 14 DC H5 H 1 5.86 0.01 . 1 . . . . . . . . 5349 2 121 . 2 2 14 14 DC H2' H 1 2.29 0.01 . 1 . . . . . . . . 5349 2 122 . 2 2 14 14 DC H3' H 1 4.57 0.01 . 1 . . . . . . . . 5349 2 123 . 2 2 15 15 DG H4' H 1 3.68 0.01 . 1 . . . . . . . . 5349 2 124 . 2 2 15 15 DG C1' C 13 85.4 0.20 . 1 . . . . . . . . 5349 2 125 . 2 2 15 15 DG H1' H 1 5.63 0.01 . 1 . . . . . . . . 5349 2 126 . 2 2 15 15 DG C8 C 13 139.1 0.20 . 1 . . . . . . . . 5349 2 127 . 2 2 15 15 DG H8 H 1 7.86 0.01 . 1 . . . . . . . . 5349 2 128 . 2 2 15 15 DG H2' H 1 2.66 0.01 . 1 . . . . . . . . 5349 2 129 . 2 2 15 15 DG H2'' H 1 2.50 0.01 . 1 . . . . . . . . 5349 2 130 . 2 2 15 15 DG H3' H 1 4.81 0.01 . 1 . . . . . . . . 5349 2 131 . 2 2 16 16 DG H1' H 1 5.84 0.01 . 1 . . . . . . . . 5349 2 132 . 2 2 16 16 DG H8 H 1 7.83 0.01 . 1 . . . . . . . . 5349 2 133 . 2 2 16 16 DG H1 H 1 13.10 0.01 . 1 . . . . . . . . 5349 2 134 . 2 2 16 16 DG H2' H 1 2.82 0.01 . 1 . . . . . . . . 5349 2 135 . 2 2 16 16 DG H2'' H 1 2.70 0.01 . 1 . . . . . . . . 5349 2 136 . 2 2 16 16 DG H3' H 1 5.01 0.01 . 1 . . . . . . . . 5349 2 137 . 2 2 17 17 DG H4' H 1 4.42 0.01 . 1 . . . . . . . . 5349 2 138 . 2 2 17 17 DG H1' H 1 5.88 0.01 . 1 . . . . . . . . 5349 2 139 . 2 2 17 17 DG C8 C 13 137.2 0.20 . 1 . . . . . . . . 5349 2 140 . 2 2 17 17 DG H8 H 1 7.68 0.01 . 1 . . . . . . . . 5349 2 141 . 2 2 17 17 DG H1 H 1 12.92 0.01 . 1 . . . . . . . . 5349 2 142 . 2 2 17 17 DG H2' H 1 2.82 0.01 . 1 . . . . . . . . 5349 2 143 . 2 2 17 17 DG H2'' H 1 2.57 0.01 . 1 . . . . . . . . 5349 2 144 . 2 2 17 17 DG H3' H 1 5.14 0.01 . 1 . . . . . . . . 5349 2 145 . 2 2 18 18 DC H4' H 1 4.27 0.01 . 1 . . . . . . . . 5349 2 146 . 2 2 18 18 DC C1' C 13 86.08 0.20 . 1 . . . . . . . . 5349 2 147 . 2 2 18 18 DC H1' H 1 5.86 0.01 . 1 . . . . . . . . 5349 2 148 . 2 2 18 18 DC H6 H 1 7.30 0.01 . 1 . . . . . . . . 5349 2 149 . 2 2 18 18 DC C5 C 13 98.3 0.20 . 1 . . . . . . . . 5349 2 150 . 2 2 18 18 DC H5 H 1 5.31 0.01 . 1 . . . . . . . . 5349 2 151 . 2 2 18 18 DC H2' H 1 2.32 0.01 . 1 . . . . . . . . 5349 2 152 . 2 2 18 18 DC H2'' H 1 1.77 0.01 . 1 . . . . . . . . 5349 2 153 . 2 2 18 18 DC H3' H 1 4.96 0.01 . 1 . . . . . . . . 5349 2 154 . 2 2 19 19 DA H4' H 1 4.34 0.01 . 1 . . . . . . . . 5349 2 155 . 2 2 19 19 DA H1' H 1 5.83 0.01 . 1 . . . . . . . . 5349 2 156 . 2 2 19 19 DA C8 C 13 139.7 0.20 . 1 . . . . . . . . 5349 2 157 . 2 2 19 19 DA H8 H 1 7.70 0.01 . 1 . . . . . . . . 5349 2 158 . 2 2 19 19 DA H2' H 1 2.94 0.01 . 1 . . . . . . . . 5349 2 159 . 2 2 19 19 DA H2'' H 1 2.56 0.01 . 1 . . . . . . . . 5349 2 160 . 2 2 19 19 DA H3' H 1 5.04 0.01 . 1 . . . . . . . . 5349 2 161 . 2 2 20 20 DA H4' H 1 4.47 0.01 . 1 . . . . . . . . 5349 2 162 . 2 2 20 20 DA C1' C 13 84.5 0.20 . 1 . . . . . . . . 5349 2 163 . 2 2 20 20 DA H1' H 1 6.16 0.01 . 1 . . . . . . . . 5349 2 164 . 2 2 20 20 DA C8 C 13 141.0 0.20 . 1 . . . . . . . . 5349 2 165 . 2 2 20 20 DA H8 H 1 8.13 0.01 . 1 . . . . . . . . 5349 2 166 . 2 2 20 20 DA H2 H 1 7.58 0.01 . 1 . . . . . . . . 5349 2 167 . 2 2 20 20 DA H2' H 1 2.96 0.01 . 1 . . . . . . . . 5349 2 168 . 2 2 20 20 DA H2'' H 1 2.51 0.01 . 1 . . . . . . . . 5349 2 169 . 2 2 20 20 DA H3' H 1 4.99 0.01 . 1 . . . . . . . . 5349 2 170 . 2 2 21 21 DT H4' H 1 4.08 0.01 . 1 . . . . . . . . 5349 2 171 . 2 2 21 21 DT C1' C 13 84.9 0.20 . 1 . . . . . . . . 5349 2 172 . 2 2 21 21 DT H1' H 1 5.54 0.01 . 1 . . . . . . . . 5349 2 173 . 2 2 21 21 DT C6 C 13 137.7 0.20 . 1 . . . . . . . . 5349 2 174 . 2 2 21 21 DT H6 H 1 6.88 0.01 . 1 . . . . . . . . 5349 2 175 . 2 2 21 21 DT H71 H 1 1.4 0.20 . 1 . . . . . . . . 5349 2 176 . 2 2 21 21 DT H72 H 1 1.4 0.20 . 1 . . . . . . . . 5349 2 177 . 2 2 21 21 DT H73 H 1 1.4 0.20 . 1 . . . . . . . . 5349 2 178 . 2 2 21 21 DT H3 H 1 12.20 0.01 . 1 . . . . . . . . 5349 2 179 . 2 2 21 21 DT H2' H 1 2.33 0.01 . 1 . . . . . . . . 5349 2 180 . 2 2 21 21 DT H2'' H 1 1.88 0.01 . 1 . . . . . . . . 5349 2 181 . 2 2 22 22 DC H4' H 1 4.04 0.01 . 1 . . . . . . . . 5349 2 182 . 2 2 22 22 DC C1' C 13 86.1 0.20 . 1 . . . . . . . . 5349 2 183 . 2 2 22 22 DC H1' H 1 5.79 0.01 . 1 . . . . . . . . 5349 2 184 . 2 2 22 22 DC C6 C 13 144.0 0.20 . 1 . . . . . . . . 5349 2 185 . 2 2 22 22 DC H6 H 1 7.30 0.01 . 1 . . . . . . . . 5349 2 186 . 2 2 22 22 DC C5 C 13 98.4 0.20 . 1 . . . . . . . . 5349 2 187 . 2 2 22 22 DC H5 H 1 5.46 0.01 . 1 . . . . . . . . 5349 2 188 . 2 2 22 22 DC H2' H 1 2.38 0.01 . 1 . . . . . . . . 5349 2 189 . 2 2 22 22 DC H2'' H 1 1.88 0.01 . 1 . . . . . . . . 5349 2 190 . 2 2 22 22 DC H3' H 1 4.85 0.01 . 1 . . . . . . . . 5349 2 191 . 2 2 23 23 DA H4' H 1 4.14 0.01 . 1 . . . . . . . . 5349 2 192 . 2 2 23 23 DA H1' H 1 6.02 0.01 . 1 . . . . . . . . 5349 2 193 . 2 2 23 23 DA C8 C 13 141.6 0.20 . 1 . . . . . . . . 5349 2 194 . 2 2 23 23 DA H8 H 1 8.34 0.01 . 1 . . . . . . . . 5349 2 195 . 2 2 23 23 DA H2 H 1 7.36 0.01 . 1 . . . . . . . . 5349 2 196 . 2 2 23 23 DA H2' H 1 2.74 0.01 . 1 . . . . . . . . 5349 2 197 . 2 2 23 23 DA H2'' H 1 2.71 0.01 . 1 . . . . . . . . 5349 2 198 . 2 2 23 23 DA H3' H 1 5.00 0.01 . 1 . . . . . . . . 5349 2 199 . 2 2 24 24 DT H4' H 1 4.23 0.01 . 1 . . . . . . . . 5349 2 200 . 2 2 24 24 DT H1' H 1 5.74 0.01 . 1 . . . . . . . . 5349 2 201 . 2 2 24 24 DT C6 C 13 138.2 0.20 . 1 . . . . . . . . 5349 2 202 . 2 2 24 24 DT H6 H 1 7.24 0.01 . 1 . . . . . . . . 5349 2 203 . 2 2 24 24 DT H71 H 1 1.4 0.20 . 1 . . . . . . . . 5349 2 204 . 2 2 24 24 DT H72 H 1 1.4 0.20 . 1 . . . . . . . . 5349 2 205 . 2 2 24 24 DT H73 H 1 1.4 0.20 . 1 . . . . . . . . 5349 2 206 . 2 2 24 24 DT H3 H 1 13.85 0.01 . 1 . . . . . . . . 5349 2 207 . 2 2 24 24 DT H2' H 1 2.51 0.01 . 1 . . . . . . . . 5349 2 208 . 2 2 24 24 DT H2'' H 1 2.23 0.01 . 1 . . . . . . . . 5349 2 209 . 2 2 24 24 DT H3' H 1 4.87 0.01 . 1 . . . . . . . . 5349 2 210 . 2 2 25 25 DG H4' H 1 4.26 0.01 . 1 . . . . . . . . 5349 2 211 . 2 2 25 25 DG H1' H 1 5.84 0.01 . 1 . . . . . . . . 5349 2 212 . 2 2 25 25 DG H8 H 1 7.82 0.01 . 1 . . . . . . . . 5349 2 213 . 2 2 25 25 DG H1 H 1 12.71 0.01 . 1 . . . . . . . . 5349 2 214 . 2 2 25 25 DG H2' H 1 2.72 0.01 . 1 . . . . . . . . 5349 2 215 . 2 2 25 25 DG H2'' H 1 2.59 0.01 . 1 . . . . . . . . 5349 2 216 . 2 2 25 25 DG H3' H 1 4.99 0.01 . 1 . . . . . . . . 5349 2 217 . 2 2 26 26 DC H4' H 1 4.14 0.01 . 1 . . . . . . . . 5349 2 218 . 2 2 26 26 DC C1' C 13 86.0 0.20 . 1 . . . . . . . . 5349 2 219 . 2 2 26 26 DC H1' H 1 5.65 0.01 . 1 . . . . . . . . 5349 2 220 . 2 2 26 26 DC C6 C 13 142.4 0.20 . 1 . . . . . . . . 5349 2 221 . 2 2 26 26 DC H6 H 1 7.26 0.01 . 1 . . . . . . . . 5349 2 222 . 2 2 26 26 DC C5 C 13 99.2 0.20 . 1 . . . . . . . . 5349 2 223 . 2 2 26 26 DC H5 H 1 5.32 0.01 . 1 . . . . . . . . 5349 2 224 . 2 2 26 26 DC H2' H 1 2.36 0.01 . 1 . . . . . . . . 5349 2 225 . 2 2 26 26 DC H2'' H 1 1.96 0.01 . 1 . . . . . . . . 5349 2 226 . 2 2 26 26 DC H3' H 1 4.83 0.01 . 1 . . . . . . . . 5349 2 227 . 2 2 27 27 DG H4' H 1 4.37 0.01 . 1 . . . . . . . . 5349 2 228 . 2 2 27 27 DG C1' C 13 84.6 0.20 . 1 . . . . . . . . 5349 2 229 . 2 2 27 27 DG H1' H 1 5.97 0.01 . 1 . . . . . . . . 5349 2 230 . 2 2 27 27 DG H8 H 1 7.90 0.01 . 1 . . . . . . . . 5349 2 231 . 2 2 27 27 DG H2' H 1 2.76 0.01 . 1 . . . . . . . . 5349 2 232 . 2 2 27 27 DG H2'' H 1 2.63 0.01 . 1 . . . . . . . . 5349 2 233 . 2 2 27 27 DG H3' H 1 4.99 0.01 . 1 . . . . . . . . 5349 2 234 . 2 2 28 28 DC H4' H 1 4.06 0.01 . 1 . . . . . . . . 5349 2 235 . 2 2 28 28 DC C1' C 13 86.5 0.20 . 1 . . . . . . . . 5349 2 236 . 2 2 28 28 DC H1' H 1 6.21 0.01 . 1 . . . . . . . . 5349 2 237 . 2 2 28 28 DC C6 C 13 143.3 0.20 . 1 . . . . . . . . 5349 2 238 . 2 2 28 28 DC H6 H 1 7.48 0.01 . 1 . . . . . . . . 5349 2 239 . 2 2 28 28 DC C5 C 13 98.5 0.20 . 1 . . . . . . . . 5349 2 240 . 2 2 28 28 DC H5 H 1 5.53 0.01 . 1 . . . . . . . . 5349 2 241 . 2 2 28 28 DC H2' H 1 2.22 0.01 . 1 . . . . . . . . 5349 2 242 . 2 2 28 28 DC H2'' H 1 2.19 0.01 . 1 . . . . . . . . 5349 2 243 . 2 2 28 28 DC H3' H 1 4.52 0.01 . 1 . . . . . . . . 5349 2 stop_ save_