data_5517 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5517 _Entry.Title ; NMR studies of the DNA-binding domain of B-Myb ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-09-11 _Entry.Accession_date 2002-09-11 _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 Gareth Jones . . . 5517 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5517 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 625 5517 '13C chemical shifts' 289 5517 '15N chemical shifts' 101 5517 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 2002-09-10 update BMRB 'update DNA residue label to two-letter code' 5517 1 . . 2003-06-12 2002-09-10 original author 'original release' 5517 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5517 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22699289 _Citation.DOI . _Citation.PubMed_ID 12815265 _Citation.Full_citation . _Citation.Title ; Sequence-specific Assignment of the B-Myb DNA-binding Domain (B-MybR2R3) bound to a 16 Base-pair DNA Target Site Corresponding to a Regulatory Site from the tom-1 Gene ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 4 _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 375 _Citation.Page_last 376 _Citation.Year 2003 _Citation.Details ; NMR studies of the minimal DNA-binding domain of chicken B-Myb (B-MybR2R3) when bound to a double stranded 16-mer DNA target containing the 6 base-pair sequence required for DNA binding by Myb proteins, 5'-AACGGA-3'" ; 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 Gareth Jones . J. . 5517 1 2 Mark Howard . . . 5517 1 3 Pauline McIntosh . . . 5517 1 4 Richard Williamson . A. . 5517 1 5 Mark Carr . D. . 5517 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DNA-binding 5517 1 NMR 5517 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5517 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels, C., Xia, T., Billeter, M., Guntert, P. and Wuthrich K. (1995) J. Biol. NMR 6, 1-10. The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_B_MybR2R3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_B_MybR2R3 _Assembly.Entry_ID 5517 _Assembly.ID 1 _Assembly.Name B-MybR2R3 _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 'all free' _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 complex 5517 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 'B-MybR2R3 unit 1' 1 $B_MybR2R3 . . . native . . . . . 5517 1 2 'tom1a 16mer' 2 $tom1a_1 . . . native . . . . . 5517 1 3 'tom1a 16mer' 3 $tom1a_2 . . . native . . . . . 5517 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 1A5J . . . . . ; Here the B-MybR2R3 protein is bound to a 16 mer DNA duplex of: 5'-TCCTTAACGGACTGAG-3' 3'-AGGAATTGCCTGACTC-5' ; 5517 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID B-MybR2R3 system 5517 1 B-MybR2R3 abbreviation 5517 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcription regulatory protein' 5517 1 'involved in cell-cycle regulation' 5517 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_B_MybR2R3 _Entity.Sf_category entity _Entity.Sf_framecode B_MybR2R3 _Entity.Entry_ID 5517 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name B-MybR2R3-tom1a _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 ; GIPDLVKGPWTKEEDQKVIE LVKKYGTKQWTLIAKHLKGR LGKQCRERWHNHLNPEVKKS SWTEEEDRIIFEAHKVLGNR WAEIAKLLPGRTDNAVKNHW NSTIKRKVDT ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13095 _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 4114 . B-MYB . . . . . 100.00 110 100.00 100.00 1.97e-72 . . . . 5517 1 2 no PDB 1A5J . "Chicken B-Myb Dna Binding Domain, Repeat 2 And Repeat3, Nmr, 32 Structures" . . . . . 99.09 110 100.00 100.00 1.58e-71 . . . . 5517 1 3 no DBJ BAC25979 . "unnamed protein product [Mus musculus]" . . . . . 98.18 704 97.22 98.15 4.15e-66 . . . . 5517 1 4 no DBJ BAG37322 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1 5 no DBJ BAH13925 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 676 97.22 98.15 2.73e-66 . . . . 5517 1 6 no DBJ BAI46683 . "v-myb myeloblastosis viral oncogene homolog (avian)-like 2 [synthetic construct]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1 7 no EMBL CAA31655 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1 8 no EMBL CAA47839 . "B-myb [Gallus gallus]" . . . . . 98.18 686 100.00 100.00 3.09e-68 . . . . 5517 1 9 no EMBL CAA49898 . "B-myb [Mus musculus]" . . . . . 98.18 704 97.22 98.15 4.15e-66 . . . . 5517 1 10 no GB AAH07585 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1 11 no GB AAH50842 . "Myeloblastosis oncogene-like 2 [Mus musculus]" . . . . . 98.18 704 97.22 98.15 4.15e-66 . . . . 5517 1 12 no GB AAH53555 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1 13 no GB AAI18124 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Bos taurus]" . . . . . 98.18 695 97.22 98.15 3.43e-66 . . . . 5517 1 14 no GB AAP36828 . "Homo sapiens v-myb myeloblastosis viral oncogene homolog (avian)-like 2 [synthetic construct]" . . . . . 98.18 701 97.22 98.15 5.44e-66 . . . . 5517 1 15 no REF NP_001068916 . "myb-related protein B [Bos taurus]" . . . . . 98.18 695 97.22 98.15 3.43e-66 . . . . 5517 1 16 no REF NP_001100006 . "myb-related protein B [Rattus norvegicus]" . . . . . 98.18 704 97.22 98.15 4.42e-66 . . . . 5517 1 17 no REF NP_001231398 . "myb-related protein B [Sus scrofa]" . . . . . 98.18 697 97.22 98.15 2.41e-66 . . . . 5517 1 18 no REF NP_001252784 . "myb-related protein B [Macaca mulatta]" . . . . . 98.18 700 97.22 98.15 3.74e-66 . . . . 5517 1 19 no REF NP_001265539 . "myb-related protein B isoform 2 [Homo sapiens]" . . . . . 98.18 676 97.22 98.15 2.73e-66 . . . . 5517 1 20 no SP P10244 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2 [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1 21 no SP P48972 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2 [Mus musculus]" . . . . . 98.18 704 97.22 98.15 4.15e-66 . . . . 5517 1 22 no SP Q03237 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2 [Gallus gallus]" . . . . . 98.18 686 100.00 100.00 3.09e-68 . . . . 5517 1 23 no TPG DAA23198 . "TPA: v-myb myeloblastosis viral oncogene homolog-like 2 [Bos taurus]" . . . . . 98.18 695 97.22 98.15 3.43e-66 . . . . 5517 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID B-MybR2R3-tom1a common 5517 1 B-MybR2R3-tom1a abbreviation 5517 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5517 1 2 . ILE . 5517 1 3 . PRO . 5517 1 4 . ASP . 5517 1 5 . LEU . 5517 1 6 . VAL . 5517 1 7 . LYS . 5517 1 8 . GLY . 5517 1 9 . PRO . 5517 1 10 . TRP . 5517 1 11 . THR . 5517 1 12 . LYS . 5517 1 13 . GLU . 5517 1 14 . GLU . 5517 1 15 . ASP . 5517 1 16 . GLN . 5517 1 17 . LYS . 5517 1 18 . VAL . 5517 1 19 . ILE . 5517 1 20 . GLU . 5517 1 21 . LEU . 5517 1 22 . VAL . 5517 1 23 . LYS . 5517 1 24 . LYS . 5517 1 25 . TYR . 5517 1 26 . GLY . 5517 1 27 . THR . 5517 1 28 . LYS . 5517 1 29 . GLN . 5517 1 30 . TRP . 5517 1 31 . THR . 5517 1 32 . LEU . 5517 1 33 . ILE . 5517 1 34 . ALA . 5517 1 35 . LYS . 5517 1 36 . HIS . 5517 1 37 . LEU . 5517 1 38 . LYS . 5517 1 39 . GLY . 5517 1 40 . ARG . 5517 1 41 . LEU . 5517 1 42 . GLY . 5517 1 43 . LYS . 5517 1 44 . GLN . 5517 1 45 . CYS . 5517 1 46 . ARG . 5517 1 47 . GLU . 5517 1 48 . ARG . 5517 1 49 . TRP . 5517 1 50 . HIS . 5517 1 51 . ASN . 5517 1 52 . HIS . 5517 1 53 . LEU . 5517 1 54 . ASN . 5517 1 55 . PRO . 5517 1 56 . GLU . 5517 1 57 . VAL . 5517 1 58 . LYS . 5517 1 59 . LYS . 5517 1 60 . SER . 5517 1 61 . SER . 5517 1 62 . TRP . 5517 1 63 . THR . 5517 1 64 . GLU . 5517 1 65 . GLU . 5517 1 66 . GLU . 5517 1 67 . ASP . 5517 1 68 . ARG . 5517 1 69 . ILE . 5517 1 70 . ILE . 5517 1 71 . PHE . 5517 1 72 . GLU . 5517 1 73 . ALA . 5517 1 74 . HIS . 5517 1 75 . LYS . 5517 1 76 . VAL . 5517 1 77 . LEU . 5517 1 78 . GLY . 5517 1 79 . ASN . 5517 1 80 . ARG . 5517 1 81 . TRP . 5517 1 82 . ALA . 5517 1 83 . GLU . 5517 1 84 . ILE . 5517 1 85 . ALA . 5517 1 86 . LYS . 5517 1 87 . LEU . 5517 1 88 . LEU . 5517 1 89 . PRO . 5517 1 90 . GLY . 5517 1 91 . ARG . 5517 1 92 . THR . 5517 1 93 . ASP . 5517 1 94 . ASN . 5517 1 95 . ALA . 5517 1 96 . VAL . 5517 1 97 . LYS . 5517 1 98 . ASN . 5517 1 99 . HIS . 5517 1 100 . TRP . 5517 1 101 . ASN . 5517 1 102 . SER . 5517 1 103 . THR . 5517 1 104 . ILE . 5517 1 105 . LYS . 5517 1 106 . ARG . 5517 1 107 . LYS . 5517 1 108 . VAL . 5517 1 109 . ASP . 5517 1 110 . THR . 5517 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5517 1 . ILE 2 2 5517 1 . PRO 3 3 5517 1 . ASP 4 4 5517 1 . LEU 5 5 5517 1 . VAL 6 6 5517 1 . LYS 7 7 5517 1 . GLY 8 8 5517 1 . PRO 9 9 5517 1 . TRP 10 10 5517 1 . THR 11 11 5517 1 . LYS 12 12 5517 1 . GLU 13 13 5517 1 . GLU 14 14 5517 1 . ASP 15 15 5517 1 . GLN 16 16 5517 1 . LYS 17 17 5517 1 . VAL 18 18 5517 1 . ILE 19 19 5517 1 . GLU 20 20 5517 1 . LEU 21 21 5517 1 . VAL 22 22 5517 1 . LYS 23 23 5517 1 . LYS 24 24 5517 1 . TYR 25 25 5517 1 . GLY 26 26 5517 1 . THR 27 27 5517 1 . LYS 28 28 5517 1 . GLN 29 29 5517 1 . TRP 30 30 5517 1 . THR 31 31 5517 1 . LEU 32 32 5517 1 . ILE 33 33 5517 1 . ALA 34 34 5517 1 . LYS 35 35 5517 1 . HIS 36 36 5517 1 . LEU 37 37 5517 1 . LYS 38 38 5517 1 . GLY 39 39 5517 1 . ARG 40 40 5517 1 . LEU 41 41 5517 1 . GLY 42 42 5517 1 . LYS 43 43 5517 1 . GLN 44 44 5517 1 . CYS 45 45 5517 1 . ARG 46 46 5517 1 . GLU 47 47 5517 1 . ARG 48 48 5517 1 . TRP 49 49 5517 1 . HIS 50 50 5517 1 . ASN 51 51 5517 1 . HIS 52 52 5517 1 . LEU 53 53 5517 1 . ASN 54 54 5517 1 . PRO 55 55 5517 1 . GLU 56 56 5517 1 . VAL 57 57 5517 1 . LYS 58 58 5517 1 . LYS 59 59 5517 1 . SER 60 60 5517 1 . SER 61 61 5517 1 . TRP 62 62 5517 1 . THR 63 63 5517 1 . GLU 64 64 5517 1 . GLU 65 65 5517 1 . GLU 66 66 5517 1 . ASP 67 67 5517 1 . ARG 68 68 5517 1 . ILE 69 69 5517 1 . ILE 70 70 5517 1 . PHE 71 71 5517 1 . GLU 72 72 5517 1 . ALA 73 73 5517 1 . HIS 74 74 5517 1 . LYS 75 75 5517 1 . VAL 76 76 5517 1 . LEU 77 77 5517 1 . GLY 78 78 5517 1 . ASN 79 79 5517 1 . ARG 80 80 5517 1 . TRP 81 81 5517 1 . ALA 82 82 5517 1 . GLU 83 83 5517 1 . ILE 84 84 5517 1 . ALA 85 85 5517 1 . LYS 86 86 5517 1 . LEU 87 87 5517 1 . LEU 88 88 5517 1 . PRO 89 89 5517 1 . GLY 90 90 5517 1 . ARG 91 91 5517 1 . THR 92 92 5517 1 . ASP 93 93 5517 1 . ASN 94 94 5517 1 . ALA 95 95 5517 1 . VAL 96 96 5517 1 . LYS 97 97 5517 1 . ASN 98 98 5517 1 . HIS 99 99 5517 1 . TRP 100 100 5517 1 . ASN 101 101 5517 1 . SER 102 102 5517 1 . THR 103 103 5517 1 . ILE 104 104 5517 1 . LYS 105 105 5517 1 . ARG 106 106 5517 1 . LYS 107 107 5517 1 . VAL 108 108 5517 1 . ASP 109 109 5517 1 . THR 110 110 5517 1 stop_ save_ save_tom1a_1 _Entity.Sf_category entity _Entity.Sf_framecode tom1a_1 _Entity.Entry_ID 5517 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name tom1a _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 CTCAGTCCGTTAAGGA _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 16 _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 4879 _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 tom1a common 5517 2 tom1a abbreviation 5517 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . 5517 2 2 . DT . 5517 2 3 . DC . 5517 2 4 . DA . 5517 2 5 . DG . 5517 2 6 . DT . 5517 2 7 . DC . 5517 2 8 . DC . 5517 2 9 . DG . 5517 2 10 . DT . 5517 2 11 . DT . 5517 2 12 . DA . 5517 2 13 . DA . 5517 2 14 . DG . 5517 2 15 . DG . 5517 2 16 . DA . 5517 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DC 1 1 5517 2 . DT 2 2 5517 2 . DC 3 3 5517 2 . DA 4 4 5517 2 . DG 5 5 5517 2 . DT 6 6 5517 2 . DC 7 7 5517 2 . DC 8 8 5517 2 . DG 9 9 5517 2 . DT 10 10 5517 2 . DT 11 11 5517 2 . DA 12 12 5517 2 . DA 13 13 5517 2 . DG 14 14 5517 2 . DG 15 15 5517 2 . DA 16 16 5517 2 stop_ save_ save_tom1a_2 _Entity.Sf_category entity _Entity.Sf_framecode tom1a_2 _Entity.Entry_ID 5517 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name tom1a _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 TCCTTAACGGACTGAG _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 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4879 _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 tom1a common 5517 3 tom1a abbreviation 5517 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DT . 5517 3 2 . DC . 5517 3 3 . DC . 5517 3 4 . DT . 5517 3 5 . DT . 5517 3 6 . DA . 5517 3 7 . DA . 5517 3 8 . DC . 5517 3 9 . DG . 5517 3 10 . DG . 5517 3 11 . DA . 5517 3 12 . DC . 5517 3 13 . DT . 5517 3 14 . DG . 5517 3 15 . DA . 5517 3 16 . DG . 5517 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DT 1 1 5517 3 . DC 2 2 5517 3 . DC 3 3 5517 3 . DT 4 4 5517 3 . DT 5 5 5517 3 . DA 6 6 5517 3 . DA 7 7 5517 3 . DC 8 8 5517 3 . DG 9 9 5517 3 . DG 10 10 5517 3 . DA 11 11 5517 3 . DC 12 12 5517 3 . DT 13 13 5517 3 . DG 14 14 5517 3 . DA 15 15 5517 3 . DG 16 16 5517 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5517 _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 $B_MybR2R3 . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . Nucleus . . . b-myb . . . . 5517 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 5517 _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 2 $tom1a_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . Oswel . . . . 5517 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5517 _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 B-MybR2R3-tom1a '[U-15N; U-13C]-All but Pro' . . 1 $B_MybR2R3 . . 1.9 . . mM . . . . 5517 1 2 tom1a . . . 2 $tom1a_1 . . 1.9 . . mM . . . . 5517 1 3 tom1a . . . 3 $tom1a_2 . . 1.9 . . mM . . . . 5517 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5517 _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 6.2 0.2 n/a 5517 1 temperature 293 1 K 5517 1 stop_ save_ ############################ # Computer software used # ############################ save_XEasy _Software.Sf_category software _Software.Sf_framecode XEasy _Software.Entry_ID 5517 _Software.ID 1 _Software.Name XEasy _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 5517 1 'manual assignment' 5517 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 5517 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5517 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5517 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5517 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 5517 _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 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1 2 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1 3 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1 4 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1 5 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1 6 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5517 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEasy _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5517 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEasy _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5517 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEasy _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5517 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEasy _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5517 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEasy _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5517 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEasy _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5517 _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 1.0 . . . . . . . . . 5517 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5517 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5517 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5517 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _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 ; In the B-MybR2R3 samples used here proline residues were unlabelled. Residues 46-49 were undetected due to conformational heterogeneity in this region of the protein. ; _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 . 5517 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 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 5517 1 2 . 1 1 1 1 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 5517 1 3 . 1 1 1 1 GLY CA C 13 43.20 0.2 . 1 . . . . . . . . 5517 1 4 . 1 1 2 2 ILE HA H 1 4.50 0.01 . 1 . . . . . . . . 5517 1 5 . 1 1 2 2 ILE HB H 1 1.90 0.01 . 1 . . . . . . . . 5517 1 6 . 1 1 2 2 ILE HG12 H 1 1.51 0.01 . 1 . . . . . . . . 5517 1 7 . 1 1 2 2 ILE HG13 H 1 1.22 0.01 . 1 . . . . . . . . 5517 1 8 . 1 1 2 2 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 9 . 1 1 2 2 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 10 . 1 1 2 2 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 11 . 1 1 2 2 ILE H H 1 8.65 0.01 . 1 . . . . . . . . 5517 1 12 . 1 1 2 2 ILE CA C 13 59.40 0.2 . 1 . . . . . . . . 5517 1 13 . 1 1 2 2 ILE CB C 13 38.30 0.2 . 1 . . . . . . . . 5517 1 14 . 1 1 2 2 ILE CD1 C 13 12.90 0.2 . 1 . . . . . . . . 5517 1 15 . 1 1 2 2 ILE CG1 C 13 26.70 0.2 . 1 . . . . . . . . 5517 1 16 . 1 1 2 2 ILE N N 15 121.50 0.2 . 1 . . . . . . . . 5517 1 17 . 1 1 4 4 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 5517 1 18 . 1 1 4 4 ASP HB2 H 1 2.65 0.01 . 1 . . . . . . . . 5517 1 19 . 1 1 4 4 ASP HB3 H 1 2.57 0.01 . 1 . . . . . . . . 5517 1 20 . 1 1 4 4 ASP H H 1 8.33 0.01 . 1 . . . . . . . . 5517 1 21 . 1 1 4 4 ASP CA C 13 54.70 0.2 . 1 . . . . . . . . 5517 1 22 . 1 1 4 4 ASP CB C 13 40.80 0.2 . 1 . . . . . . . . 5517 1 23 . 1 1 4 4 ASP N N 15 119.20 0.2 . 1 . . . . . . . . 5517 1 24 . 1 1 5 5 LEU HA H 1 4.30 0.01 . 1 . . . . . . . . 5517 1 25 . 1 1 5 5 LEU HB2 H 1 1.58 0.01 . 1 . . . . . . . . 5517 1 26 . 1 1 5 5 LEU HB3 H 1 1.58 0.01 . 1 . . . . . . . . 5517 1 27 . 1 1 5 5 LEU HD11 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 28 . 1 1 5 5 LEU HD12 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 29 . 1 1 5 5 LEU HD13 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 30 . 1 1 5 5 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 5517 1 31 . 1 1 5 5 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 5517 1 32 . 1 1 5 5 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 5517 1 33 . 1 1 5 5 LEU H H 1 7.79 0.01 . 1 . . . . . . . . 5517 1 34 . 1 1 5 5 LEU CA C 13 55.30 0.2 . 1 . . . . . . . . 5517 1 35 . 1 1 5 5 LEU N N 15 120.80 0.2 . 1 . . . . . . . . 5517 1 36 . 1 1 6 6 VAL HA H 1 4.08 0.01 . 1 . . . . . . . . 5517 1 37 . 1 1 6 6 VAL HB H 1 1.92 0.01 . 1 . . . . . . . . 5517 1 38 . 1 1 6 6 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 5517 1 39 . 1 1 6 6 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 5517 1 40 . 1 1 6 6 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 5517 1 41 . 1 1 6 6 VAL HG21 H 1 0.75 0.01 . 1 . . . . . . . . 5517 1 42 . 1 1 6 6 VAL HG22 H 1 0.75 0.01 . 1 . . . . . . . . 5517 1 43 . 1 1 6 6 VAL HG23 H 1 0.75 0.01 . 1 . . . . . . . . 5517 1 44 . 1 1 6 6 VAL H H 1 8.84 0.01 . 1 . . . . . . . . 5517 1 45 . 1 1 6 6 VAL CA C 13 62.10 0.2 . 1 . . . . . . . . 5517 1 46 . 1 1 6 6 VAL CB C 13 33.00 0.2 . 1 . . . . . . . . 5517 1 47 . 1 1 6 6 VAL CG1 C 13 20.80 0.2 . 1 . . . . . . . . 5517 1 48 . 1 1 6 6 VAL CG2 C 13 21.00 0.2 . 1 . . . . . . . . 5517 1 49 . 1 1 6 6 VAL N N 15 123.80 0.2 . 1 . . . . . . . . 5517 1 50 . 1 1 7 7 LYS HA H 1 4.43 0.01 . 1 . . . . . . . . 5517 1 51 . 1 1 7 7 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 5517 1 52 . 1 1 7 7 LYS HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5517 1 53 . 1 1 7 7 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1 54 . 1 1 7 7 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1 55 . 1 1 7 7 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 5517 1 56 . 1 1 7 7 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 5517 1 57 . 1 1 7 7 LYS HG2 H 1 1.39 0.01 . 1 . . . . . . . . 5517 1 58 . 1 1 7 7 LYS HG3 H 1 1.39 0.01 . 1 . . . . . . . . 5517 1 59 . 1 1 7 7 LYS H H 1 8.24 0.01 . 1 . . . . . . . . 5517 1 60 . 1 1 7 7 LYS CA C 13 55.00 0.2 . 1 . . . . . . . . 5517 1 61 . 1 1 7 7 LYS CB C 13 34.30 0.2 . 1 . . . . . . . . 5517 1 62 . 1 1 7 7 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 63 . 1 1 7 7 LYS CE C 13 42.10 0.2 . 1 . . . . . . . . 5517 1 64 . 1 1 7 7 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1 65 . 1 1 7 7 LYS N N 15 125.30 0.2 . 1 . . . . . . . . 5517 1 66 . 1 1 8 8 GLY HA2 H 1 4.27 0.01 . 1 . . . . . . . . 5517 1 67 . 1 1 8 8 GLY HA3 H 1 3.98 0.01 . 1 . . . . . . . . 5517 1 68 . 1 1 8 8 GLY H H 1 8.82 0.01 . 1 . . . . . . . . 5517 1 69 . 1 1 8 8 GLY CA C 13 44.40 0.2 . 1 . . . . . . . . 5517 1 70 . 1 1 8 8 GLY N N 15 111.20 0.2 . 1 . . . . . . . . 5517 1 71 . 1 1 10 10 TRP HA H 1 4.24 0.01 . 1 . . . . . . . . 5517 1 72 . 1 1 10 10 TRP H H 1 9.04 0.01 . 1 . . . . . . . . 5517 1 73 . 1 1 10 10 TRP CA C 13 58.40 0.2 . 1 . . . . . . . . 5517 1 74 . 1 1 10 10 TRP CB C 13 26.60 0.2 . 1 . . . . . . . . 5517 1 75 . 1 1 10 10 TRP N N 15 125.50 0.2 . 1 . . . . . . . . 5517 1 76 . 1 1 11 11 THR HA H 1 4.68 0.01 . 1 . . . . . . . . 5517 1 77 . 1 1 11 11 THR HB H 1 4.82 0.01 . 1 . . . . . . . . 5517 1 78 . 1 1 11 11 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1 79 . 1 1 11 11 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1 80 . 1 1 11 11 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1 81 . 1 1 11 11 THR H H 1 8.87 0.01 . 1 . . . . . . . . 5517 1 82 . 1 1 11 11 THR CA C 13 59.90 0.2 . 1 . . . . . . . . 5517 1 83 . 1 1 11 11 THR CB C 13 71.80 0.2 . 1 . . . . . . . . 5517 1 84 . 1 1 11 11 THR CG2 C 13 21.60 0.2 . 1 . . . . . . . . 5517 1 85 . 1 1 11 11 THR N N 15 117.00 0.2 . 1 . . . . . . . . 5517 1 86 . 1 1 12 12 LYS HA H 1 4.19 0.01 . 1 . . . . . . . . 5517 1 87 . 1 1 12 12 LYS HB2 H 1 1.95 0.01 . 1 . . . . . . . . 5517 1 88 . 1 1 12 12 LYS HB3 H 1 1.95 0.01 . 1 . . . . . . . . 5517 1 89 . 1 1 12 12 LYS HD2 H 1 1.76 0.01 . 1 . . . . . . . . 5517 1 90 . 1 1 12 12 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 5517 1 91 . 1 1 12 12 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 5517 1 92 . 1 1 12 12 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 5517 1 93 . 1 1 12 12 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 5517 1 94 . 1 1 12 12 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 5517 1 95 . 1 1 12 12 LYS H H 1 8.87 0.01 . 1 . . . . . . . . 5517 1 96 . 1 1 12 12 LYS CA C 13 59.40 0.2 . 1 . . . . . . . . 5517 1 97 . 1 1 12 12 LYS CB C 13 32.10 0.2 . 1 . . . . . . . . 5517 1 98 . 1 1 12 12 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 99 . 1 1 12 12 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1 100 . 1 1 12 12 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1 101 . 1 1 12 12 LYS N N 15 121.20 0.2 . 1 . . . . . . . . 5517 1 102 . 1 1 13 13 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 5517 1 103 . 1 1 13 13 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 5517 1 104 . 1 1 13 13 GLU HB3 H 1 1.96 0.01 . 1 . . . . . . . . 5517 1 105 . 1 1 13 13 GLU HG2 H 1 2.43 0.01 . 1 . . . . . . . . 5517 1 106 . 1 1 13 13 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 5517 1 107 . 1 1 13 13 GLU H H 1 8.66 0.01 . 1 . . . . . . . . 5517 1 108 . 1 1 13 13 GLU CA C 13 60.10 0.2 . 1 . . . . . . . . 5517 1 109 . 1 1 13 13 GLU CB C 13 29.40 0.2 . 1 . . . . . . . . 5517 1 110 . 1 1 13 13 GLU CG C 13 37.10 0.2 . 1 . . . . . . . . 5517 1 111 . 1 1 13 13 GLU N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1 112 . 1 1 14 14 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5517 1 113 . 1 1 14 14 GLU HB2 H 1 2.51 0.01 . 1 . . . . . . . . 5517 1 114 . 1 1 14 14 GLU HB3 H 1 2.47 0.01 . 1 . . . . . . . . 5517 1 115 . 1 1 14 14 GLU HG2 H 1 2.53 0.01 . 1 . . . . . . . . 5517 1 116 . 1 1 14 14 GLU HG3 H 1 2.53 0.01 . 1 . . . . . . . . 5517 1 117 . 1 1 14 14 GLU H H 1 7.91 0.01 . 1 . . . . . . . . 5517 1 118 . 1 1 14 14 GLU CA C 13 60.20 0.2 . 1 . . . . . . . . 5517 1 119 . 1 1 14 14 GLU CB C 13 31.90 0.2 . 1 . . . . . . . . 5517 1 120 . 1 1 14 14 GLU CG C 13 35.90 0.2 . 1 . . . . . . . . 5517 1 121 . 1 1 14 14 GLU N N 15 121.40 0.2 . 1 . . . . . . . . 5517 1 122 . 1 1 15 15 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 5517 1 123 . 1 1 15 15 ASP HB2 H 1 2.64 0.01 . 1 . . . . . . . . 5517 1 124 . 1 1 15 15 ASP HB3 H 1 2.51 0.01 . 1 . . . . . . . . 5517 1 125 . 1 1 15 15 ASP H H 1 8.67 0.01 . 1 . . . . . . . . 5517 1 126 . 1 1 15 15 ASP CA C 13 57.50 0.2 . 1 . . . . . . . . 5517 1 127 . 1 1 15 15 ASP CB C 13 39.80 0.2 . 1 . . . . . . . . 5517 1 128 . 1 1 15 15 ASP N N 15 120.30 0.2 . 1 . . . . . . . . 5517 1 129 . 1 1 16 16 GLN HA H 1 4.04 0.01 . 1 . . . . . . . . 5517 1 130 . 1 1 16 16 GLN HB2 H 1 2.26 0.01 . 1 . . . . . . . . 5517 1 131 . 1 1 16 16 GLN HB3 H 1 2.18 0.01 . 1 . . . . . . . . 5517 1 132 . 1 1 16 16 GLN HG2 H 1 2.57 0.01 . 1 . . . . . . . . 5517 1 133 . 1 1 16 16 GLN HG3 H 1 2.52 0.01 . 1 . . . . . . . . 5517 1 134 . 1 1 16 16 GLN H H 1 8.23 0.01 . 1 . . . . . . . . 5517 1 135 . 1 1 16 16 GLN CA C 13 58.60 0.2 . 1 . . . . . . . . 5517 1 136 . 1 1 16 16 GLN CB C 13 28.50 0.2 . 1 . . . . . . . . 5517 1 137 . 1 1 16 16 GLN CG C 13 33.90 0.2 . 1 . . . . . . . . 5517 1 138 . 1 1 16 16 GLN N N 15 116.30 0.2 . 1 . . . . . . . . 5517 1 139 . 1 1 17 17 LYS HA H 1 4.24 0.01 . 1 . . . . . . . . 5517 1 140 . 1 1 17 17 LYS HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5517 1 141 . 1 1 17 17 LYS HB3 H 1 2.02 0.01 . 1 . . . . . . . . 5517 1 142 . 1 1 17 17 LYS HD2 H 1 1.80 0.01 . 1 . . . . . . . . 5517 1 143 . 1 1 17 17 LYS HD3 H 1 1.79 0.01 . 1 . . . . . . . . 5517 1 144 . 1 1 17 17 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 5517 1 145 . 1 1 17 17 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5517 1 146 . 1 1 17 17 LYS HG2 H 1 1.57 0.01 . 1 . . . . . . . . 5517 1 147 . 1 1 17 17 LYS HG3 H 1 1.57 0.01 . 1 . . . . . . . . 5517 1 148 . 1 1 17 17 LYS H H 1 7.83 0.01 . 1 . . . . . . . . 5517 1 149 . 1 1 17 17 LYS CA C 13 59.10 0.2 . 1 . . . . . . . . 5517 1 150 . 1 1 17 17 LYS CB C 13 32.30 0.2 . 1 . . . . . . . . 5517 1 151 . 1 1 17 17 LYS CD C 13 28.80 0.2 . 1 . . . . . . . . 5517 1 152 . 1 1 17 17 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1 153 . 1 1 17 17 LYS CG C 13 26.90 0.2 . 1 . . . . . . . . 5517 1 154 . 1 1 17 17 LYS N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1 155 . 1 1 18 18 VAL HA H 1 3.65 0.01 . 1 . . . . . . . . 5517 1 156 . 1 1 18 18 VAL H H 1 8.84 0.01 . 1 . . . . . . . . 5517 1 157 . 1 1 18 18 VAL CA C 13 68.40 0.2 . 1 . . . . . . . . 5517 1 158 . 1 1 18 18 VAL N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1 159 . 1 1 19 19 ILE HA H 1 3.71 0.01 . 1 . . . . . . . . 5517 1 160 . 1 1 19 19 ILE HB H 1 2.08 0.01 . 1 . . . . . . . . 5517 1 161 . 1 1 19 19 ILE HG12 H 1 1.08 0.01 . 1 . . . . . . . . 5517 1 162 . 1 1 19 19 ILE HG13 H 1 1.08 0.01 . 1 . . . . . . . . 5517 1 163 . 1 1 19 19 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 5517 1 164 . 1 1 19 19 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 5517 1 165 . 1 1 19 19 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 5517 1 166 . 1 1 19 19 ILE H H 1 8.38 0.01 . 1 . . . . . . . . 5517 1 167 . 1 1 19 19 ILE CA C 13 56.80 0.2 . 1 . . . . . . . . 5517 1 168 . 1 1 19 19 ILE CB C 13 37.80 0.2 . 1 . . . . . . . . 5517 1 169 . 1 1 19 19 ILE CD1 C 13 12.90 0.2 . 1 . . . . . . . . 5517 1 170 . 1 1 19 19 ILE CG2 C 13 16.90 0.2 . 1 . . . . . . . . 5517 1 171 . 1 1 19 19 ILE N N 15 119.20 0.2 . 1 . . . . . . . . 5517 1 172 . 1 1 20 20 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5517 1 173 . 1 1 20 20 GLU HB2 H 1 2.20 0.01 . 1 . . . . . . . . 5517 1 174 . 1 1 20 20 GLU HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5517 1 175 . 1 1 20 20 GLU HG2 H 1 2.42 0.01 . 1 . . . . . . . . 5517 1 176 . 1 1 20 20 GLU HG3 H 1 2.27 0.01 . 1 . . . . . . . . 5517 1 177 . 1 1 20 20 GLU H H 1 8.09 0.01 . 1 . . . . . . . . 5517 1 178 . 1 1 20 20 GLU CA C 13 59.20 0.2 . 1 . . . . . . . . 5517 1 179 . 1 1 20 20 GLU CB C 13 29.70 0.2 . 1 . . . . . . . . 5517 1 180 . 1 1 20 20 GLU CG C 13 36.20 0.2 . 1 . . . . . . . . 5517 1 181 . 1 1 20 20 GLU N N 15 119.20 0.2 . 1 . . . . . . . . 5517 1 182 . 1 1 21 21 LEU HA H 1 4.10 0.01 . 1 . . . . . . . . 5517 1 183 . 1 1 21 21 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 5517 1 184 . 1 1 21 21 LEU CA C 13 57.70 0.2 . 1 . . . . . . . . 5517 1 185 . 1 1 21 21 LEU N N 15 121.50 0.2 . 1 . . . . . . . . 5517 1 186 . 1 1 22 22 VAL HA H 1 3.49 0.01 . 1 . . . . . . . . 5517 1 187 . 1 1 22 22 VAL HB H 1 1.50 0.01 . 1 . . . . . . . . 5517 1 188 . 1 1 22 22 VAL HG11 H 1 0.38 0.01 . 1 . . . . . . . . 5517 1 189 . 1 1 22 22 VAL HG12 H 1 0.38 0.01 . 1 . . . . . . . . 5517 1 190 . 1 1 22 22 VAL HG13 H 1 0.38 0.01 . 1 . . . . . . . . 5517 1 191 . 1 1 22 22 VAL HG21 H 1 -0.44 0.01 . 1 . . . . . . . . 5517 1 192 . 1 1 22 22 VAL HG22 H 1 -0.44 0.01 . 1 . . . . . . . . 5517 1 193 . 1 1 22 22 VAL HG23 H 1 -0.44 0.01 . 1 . . . . . . . . 5517 1 194 . 1 1 22 22 VAL H H 1 8.97 0.01 . 1 . . . . . . . . 5517 1 195 . 1 1 22 22 VAL CA C 13 65.40 0.2 . 1 . . . . . . . . 5517 1 196 . 1 1 22 22 VAL CB C 13 31.40 0.2 . 1 . . . . . . . . 5517 1 197 . 1 1 22 22 VAL CG1 C 13 23.60 0.2 . 1 . . . . . . . . 5517 1 198 . 1 1 22 22 VAL CG2 C 13 20.30 0.2 . 1 . . . . . . . . 5517 1 199 . 1 1 22 22 VAL N N 15 123.50 0.2 . 1 . . . . . . . . 5517 1 200 . 1 1 23 23 LYS HA H 1 3.88 0.01 . 1 . . . . . . . . 5517 1 201 . 1 1 23 23 LYS HB2 H 1 1.90 0.01 . 1 . . . . . . . . 5517 1 202 . 1 1 23 23 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5517 1 203 . 1 1 23 23 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 5517 1 204 . 1 1 23 23 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 5517 1 205 . 1 1 23 23 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1 206 . 1 1 23 23 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5517 1 207 . 1 1 23 23 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 5517 1 208 . 1 1 23 23 LYS HG3 H 1 1.34 0.01 . 1 . . . . . . . . 5517 1 209 . 1 1 23 23 LYS H H 1 7.59 0.01 . 1 . . . . . . . . 5517 1 210 . 1 1 23 23 LYS CA C 13 59.70 0.2 . 1 . . . . . . . . 5517 1 211 . 1 1 23 23 LYS CB C 13 32.10 0.2 . 1 . . . . . . . . 5517 1 212 . 1 1 23 23 LYS CD C 13 29.50 0.2 . 1 . . . . . . . . 5517 1 213 . 1 1 23 23 LYS CE C 13 41.80 0.2 . 1 . . . . . . . . 5517 1 214 . 1 1 23 23 LYS CG C 13 25.20 0.2 . 1 . . . . . . . . 5517 1 215 . 1 1 23 23 LYS N N 15 121.00 0.2 . 1 . . . . . . . . 5517 1 216 . 1 1 24 24 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 5517 1 217 . 1 1 24 24 LYS HB2 H 1 1.68 0.01 . 1 . . . . . . . . 5517 1 218 . 1 1 24 24 LYS HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5517 1 219 . 1 1 24 24 LYS HD2 H 1 1.32 0.01 . 1 . . . . . . . . 5517 1 220 . 1 1 24 24 LYS HD3 H 1 1.18 0.01 . 1 . . . . . . . . 5517 1 221 . 1 1 24 24 LYS HE2 H 1 2.72 0.01 . 1 . . . . . . . . 5517 1 222 . 1 1 24 24 LYS HE3 H 1 2.69 0.01 . 1 . . . . . . . . 5517 1 223 . 1 1 24 24 LYS HG2 H 1 0.90 0.01 . 1 . . . . . . . . 5517 1 224 . 1 1 24 24 LYS HG3 H 1 0.31 0.01 . 1 . . . . . . . . 5517 1 225 . 1 1 24 24 LYS H H 1 7.05 0.01 . 1 . . . . . . . . 5517 1 226 . 1 1 24 24 LYS CA C 13 58.70 0.2 . 1 . . . . . . . . 5517 1 227 . 1 1 24 24 LYS CB C 13 34.00 0.2 . 1 . . . . . . . . 5517 1 228 . 1 1 24 24 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 229 . 1 1 24 24 LYS CE C 13 41.80 0.2 . 1 . . . . . . . . 5517 1 230 . 1 1 24 24 LYS CG C 13 24.10 0.2 . 1 . . . . . . . . 5517 1 231 . 1 1 24 24 LYS N N 15 116.70 0.2 . 1 . . . . . . . . 5517 1 232 . 1 1 25 25 TYR HA H 1 4.55 0.01 . 1 . . . . . . . . 5517 1 233 . 1 1 25 25 TYR HB2 H 1 3.00 0.01 . 1 . . . . . . . . 5517 1 234 . 1 1 25 25 TYR HB3 H 1 2.50 0.01 . 1 . . . . . . . . 5517 1 235 . 1 1 25 25 TYR H H 1 8.73 0.01 . 1 . . . . . . . . 5517 1 236 . 1 1 25 25 TYR CA C 13 58.60 0.2 . 1 . . . . . . . . 5517 1 237 . 1 1 25 25 TYR CB C 13 39.70 0.2 . 1 . . . . . . . . 5517 1 238 . 1 1 25 25 TYR N N 15 115.00 0.2 . 1 . . . . . . . . 5517 1 239 . 1 1 26 26 GLY HA2 H 1 4.19 0.01 . 1 . . . . . . . . 5517 1 240 . 1 1 26 26 GLY HA3 H 1 3.72 0.01 . 1 . . . . . . . . 5517 1 241 . 1 1 26 26 GLY H H 1 8.49 0.01 . 1 . . . . . . . . 5517 1 242 . 1 1 26 26 GLY CA C 13 44.40 0.2 . 1 . . . . . . . . 5517 1 243 . 1 1 26 26 GLY N N 15 111.20 0.2 . 1 . . . . . . . . 5517 1 244 . 1 1 27 27 THR HA H 1 3.47 0.01 . 1 . . . . . . . . 5517 1 245 . 1 1 27 27 THR HG21 H 1 0.78 0.01 . 1 . . . . . . . . 5517 1 246 . 1 1 27 27 THR HG22 H 1 0.78 0.01 . 1 . . . . . . . . 5517 1 247 . 1 1 27 27 THR HG23 H 1 0.78 0.01 . 1 . . . . . . . . 5517 1 248 . 1 1 27 27 THR H H 1 7.73 0.01 . 1 . . . . . . . . 5517 1 249 . 1 1 27 27 THR CA C 13 60.70 0.2 . 1 . . . . . . . . 5517 1 250 . 1 1 27 27 THR CB C 13 63.50 0.2 . 1 . . . . . . . . 5517 1 251 . 1 1 27 27 THR CG2 C 13 21.50 0.2 . 1 . . . . . . . . 5517 1 252 . 1 1 27 27 THR N N 15 104.20 0.2 . 1 . . . . . . . . 5517 1 253 . 1 1 28 28 LYS HA H 1 4.46 0.01 . 1 . . . . . . . . 5517 1 254 . 1 1 28 28 LYS HB2 H 1 2.03 0.01 . 1 . . . . . . . . 5517 1 255 . 1 1 28 28 LYS HB3 H 1 2.02 0.01 . 1 . . . . . . . . 5517 1 256 . 1 1 28 28 LYS HD2 H 1 1.78 0.01 . 1 . . . . . . . . 5517 1 257 . 1 1 28 28 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 5517 1 258 . 1 1 28 28 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1 259 . 1 1 28 28 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1 260 . 1 1 28 28 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5517 1 261 . 1 1 28 28 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 5517 1 262 . 1 1 28 28 LYS H H 1 8.07 0.01 . 1 . . . . . . . . 5517 1 263 . 1 1 28 28 LYS CA C 13 55.10 0.2 . 1 . . . . . . . . 5517 1 264 . 1 1 28 28 LYS CB C 13 33.60 0.2 . 1 . . . . . . . . 5517 1 265 . 1 1 28 28 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 266 . 1 1 28 28 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1 267 . 1 1 28 28 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1 268 . 1 1 28 28 LYS N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1 269 . 1 1 29 29 GLN HA H 1 4.79 0.01 . 1 . . . . . . . . 5517 1 270 . 1 1 29 29 GLN HB2 H 1 2.15 0.01 . 1 . . . . . . . . 5517 1 271 . 1 1 29 29 GLN HB3 H 1 1.41 0.01 . 1 . . . . . . . . 5517 1 272 . 1 1 29 29 GLN HG2 H 1 2.31 0.01 . 1 . . . . . . . . 5517 1 273 . 1 1 29 29 GLN HG3 H 1 2.12 0.01 . 1 . . . . . . . . 5517 1 274 . 1 1 29 29 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 5517 1 275 . 1 1 29 29 GLN CA C 13 54.30 0.2 . 1 . . . . . . . . 5517 1 276 . 1 1 29 29 GLN CB C 13 29.80 0.2 . 1 . . . . . . . . 5517 1 277 . 1 1 29 29 GLN CG C 13 34.00 0.2 . 1 . . . . . . . . 5517 1 278 . 1 1 29 29 GLN N N 15 120.20 0.2 . 1 . . . . . . . . 5517 1 279 . 1 1 30 30 TRP HA H 1 4.21 0.01 . 1 . . . . . . . . 5517 1 280 . 1 1 30 30 TRP HB2 H 1 3.45 0.01 . 1 . . . . . . . . 5517 1 281 . 1 1 30 30 TRP HB3 H 1 3.45 0.01 . 1 . . . . . . . . 5517 1 282 . 1 1 30 30 TRP H H 1 7.61 0.01 . 1 . . . . . . . . 5517 1 283 . 1 1 30 30 TRP CA C 13 59.90 0.2 . 1 . . . . . . . . 5517 1 284 . 1 1 30 30 TRP CB C 13 37.90 0.2 . 1 . . . . . . . . 5517 1 285 . 1 1 30 30 TRP N N 15 122.20 0.2 . 1 . . . . . . . . 5517 1 286 . 1 1 31 31 THR HA H 1 4.05 0.01 . 1 . . . . . . . . 5517 1 287 . 1 1 31 31 THR HB H 1 4.30 0.01 . 1 . . . . . . . . 5517 1 288 . 1 1 31 31 THR HG21 H 1 1.41 0.01 . 1 . . . . . . . . 5517 1 289 . 1 1 31 31 THR HG22 H 1 1.41 0.01 . 1 . . . . . . . . 5517 1 290 . 1 1 31 31 THR HG23 H 1 1.41 0.01 . 1 . . . . . . . . 5517 1 291 . 1 1 31 31 THR H H 1 8.74 0.01 . 1 . . . . . . . . 5517 1 292 . 1 1 31 31 THR CA C 13 66.80 0.2 . 1 . . . . . . . . 5517 1 293 . 1 1 31 31 THR CB C 13 68.50 0.2 . 1 . . . . . . . . 5517 1 294 . 1 1 31 31 THR CG2 C 13 21.90 0.2 . 1 . . . . . . . . 5517 1 295 . 1 1 31 31 THR N N 15 115.70 0.2 . 1 . . . . . . . . 5517 1 296 . 1 1 32 32 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5517 1 297 . 1 1 32 32 LEU H H 1 7.56 0.01 . 1 . . . . . . . . 5517 1 298 . 1 1 32 32 LEU CA C 13 57.80 0.2 . 1 . . . . . . . . 5517 1 299 . 1 1 32 32 LEU N N 15 124.00 0.2 . 1 . . . . . . . . 5517 1 300 . 1 1 33 33 ILE HA H 1 3.54 0.01 . 1 . . . . . . . . 5517 1 301 . 1 1 33 33 ILE HB H 1 2.25 0.01 . 1 . . . . . . . . 5517 1 302 . 1 1 33 33 ILE HD11 H 1 0.51 0.01 . 1 . . . . . . . . 5517 1 303 . 1 1 33 33 ILE HD12 H 1 0.51 0.01 . 1 . . . . . . . . 5517 1 304 . 1 1 33 33 ILE HD13 H 1 0.51 0.01 . 1 . . . . . . . . 5517 1 305 . 1 1 33 33 ILE HG12 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1 306 . 1 1 33 33 ILE HG13 H 1 1.06 0.01 . 1 . . . . . . . . 5517 1 307 . 1 1 33 33 ILE HG21 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 308 . 1 1 33 33 ILE HG22 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 309 . 1 1 33 33 ILE HG23 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 310 . 1 1 33 33 ILE H H 1 7.75 0.01 . 1 . . . . . . . . 5517 1 311 . 1 1 33 33 ILE CA C 13 66.50 0.2 . 1 . . . . . . . . 5517 1 312 . 1 1 33 33 ILE CB C 13 38.30 0.2 . 1 . . . . . . . . 5517 1 313 . 1 1 33 33 ILE CD1 C 13 13.40 0.2 . 1 . . . . . . . . 5517 1 314 . 1 1 33 33 ILE CG1 C 13 30.00 0.2 . 1 . . . . . . . . 5517 1 315 . 1 1 33 33 ILE CG2 C 13 16.00 0.2 . 1 . . . . . . . . 5517 1 316 . 1 1 33 33 ILE N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1 317 . 1 1 34 34 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 5517 1 318 . 1 1 34 34 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1 319 . 1 1 34 34 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1 320 . 1 1 34 34 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1 321 . 1 1 34 34 ALA H H 1 8.65 0.01 . 1 . . . . . . . . 5517 1 322 . 1 1 34 34 ALA CA C 13 55.40 0.2 . 1 . . . . . . . . 5517 1 323 . 1 1 34 34 ALA CB C 13 18.70 0.2 . 1 . . . . . . . . 5517 1 324 . 1 1 34 34 ALA N N 15 120.70 0.2 . 1 . . . . . . . . 5517 1 325 . 1 1 35 35 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 5517 1 326 . 1 1 35 35 LYS HB2 H 1 1.97 0.01 . 1 . . . . . . . . 5517 1 327 . 1 1 35 35 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5517 1 328 . 1 1 35 35 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 5517 1 329 . 1 1 35 35 LYS HD3 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1 330 . 1 1 35 35 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1 331 . 1 1 35 35 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1 332 . 1 1 35 35 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1 333 . 1 1 35 35 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1 334 . 1 1 35 35 LYS H H 1 7.64 0.01 . 1 . . . . . . . . 5517 1 335 . 1 1 35 35 LYS CA C 13 58.70 0.2 . 1 . . . . . . . . 5517 1 336 . 1 1 35 35 LYS CB C 13 32.40 0.2 . 1 . . . . . . . . 5517 1 337 . 1 1 35 35 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 338 . 1 1 35 35 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1 339 . 1 1 35 35 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1 340 . 1 1 35 35 LYS N N 15 117.00 0.2 . 1 . . . . . . . . 5517 1 341 . 1 1 36 36 HIS HA H 1 4.45 0.01 . 1 . . . . . . . . 5517 1 342 . 1 1 36 36 HIS HB2 H 1 3.41 0.01 . 1 . . . . . . . . 5517 1 343 . 1 1 36 36 HIS HB3 H 1 3.26 0.01 . 1 . . . . . . . . 5517 1 344 . 1 1 36 36 HIS H H 1 7.96 0.01 . 1 . . . . . . . . 5517 1 345 . 1 1 36 36 HIS CA C 13 57.60 0.2 . 1 . . . . . . . . 5517 1 346 . 1 1 36 36 HIS CB C 13 30.80 0.2 . 1 . . . . . . . . 5517 1 347 . 1 1 36 36 HIS N N 15 115.50 0.2 . 1 . . . . . . . . 5517 1 348 . 1 1 37 37 LEU HA H 1 4.54 0.01 . 1 . . . . . . . . 5517 1 349 . 1 1 37 37 LEU HB2 H 1 1.70 0.01 . 1 . . . . . . . . 5517 1 350 . 1 1 37 37 LEU HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5517 1 351 . 1 1 37 37 LEU HG H 1 1.81 0.01 . 1 . . . . . . . . 5517 1 352 . 1 1 37 37 LEU H H 1 8.04 0.01 . 1 . . . . . . . . 5517 1 353 . 1 1 37 37 LEU CA C 13 54.70 0.2 . 1 . . . . . . . . 5517 1 354 . 1 1 37 37 LEU N N 15 124.30 0.2 . 1 . . . . . . . . 5517 1 355 . 1 1 38 38 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 5517 1 356 . 1 1 38 38 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 5517 1 357 . 1 1 38 38 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5517 1 358 . 1 1 38 38 LYS HD2 H 1 1.67 0.01 . 1 . . . . . . . . 5517 1 359 . 1 1 38 38 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 5517 1 360 . 1 1 38 38 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1 361 . 1 1 38 38 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1 362 . 1 1 38 38 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1 363 . 1 1 38 38 LYS HG3 H 1 1.35 0.01 . 1 . . . . . . . . 5517 1 364 . 1 1 38 38 LYS H H 1 8.16 0.01 . 1 . . . . . . . . 5517 1 365 . 1 1 38 38 LYS CA C 13 57.50 0.2 . 1 . . . . . . . . 5517 1 366 . 1 1 38 38 LYS CB C 13 32.60 0.2 . 1 . . . . . . . . 5517 1 367 . 1 1 38 38 LYS CD C 13 28.90 0.2 . 1 . . . . . . . . 5517 1 368 . 1 1 38 38 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1 369 . 1 1 38 38 LYS CG C 13 24.30 0.2 . 1 . . . . . . . . 5517 1 370 . 1 1 38 38 LYS N N 15 119.00 0.2 . 1 . . . . . . . . 5517 1 371 . 1 1 39 39 GLY HA2 H 1 4.07 0.01 . 1 . . . . . . . . 5517 1 372 . 1 1 39 39 GLY HA3 H 1 3.80 0.01 . 1 . . . . . . . . 5517 1 373 . 1 1 39 39 GLY H H 1 8.72 0.01 . 1 . . . . . . . . 5517 1 374 . 1 1 39 39 GLY CA C 13 46.20 0.2 . 1 . . . . . . . . 5517 1 375 . 1 1 39 39 GLY N N 15 111.20 0.2 . 1 . . . . . . . . 5517 1 376 . 1 1 40 40 ARG HA H 1 4.99 0.01 . 1 . . . . . . . . 5517 1 377 . 1 1 40 40 ARG HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1 378 . 1 1 40 40 ARG HB3 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1 379 . 1 1 40 40 ARG HD2 H 1 2.87 0.01 . 1 . . . . . . . . 5517 1 380 . 1 1 40 40 ARG HD3 H 1 2.68 0.01 . 1 . . . . . . . . 5517 1 381 . 1 1 40 40 ARG H H 1 7.41 0.01 . 1 . . . . . . . . 5517 1 382 . 1 1 40 40 ARG CA C 13 52.50 0.2 . 1 . . . . . . . . 5517 1 383 . 1 1 40 40 ARG CB C 13 29.80 0.2 . 1 . . . . . . . . 5517 1 384 . 1 1 40 40 ARG CD C 13 38.30 0.2 . 1 . . . . . . . . 5517 1 385 . 1 1 40 40 ARG N N 15 115.50 0.2 . 1 . . . . . . . . 5517 1 386 . 1 1 41 41 LEU HA H 1 4.78 0.01 . 1 . . . . . . . . 5517 1 387 . 1 1 41 41 LEU HD11 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 388 . 1 1 41 41 LEU HD12 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 389 . 1 1 41 41 LEU HD13 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 390 . 1 1 41 41 LEU HD21 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 391 . 1 1 41 41 LEU HD22 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 392 . 1 1 41 41 LEU HD23 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1 393 . 1 1 41 41 LEU H H 1 9.30 0.01 . 1 . . . . . . . . 5517 1 394 . 1 1 41 41 LEU CA C 13 53.30 0.2 . 1 . . . . . . . . 5517 1 395 . 1 1 41 41 LEU N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1 396 . 1 1 42 42 GLY HA2 H 1 4.08 0.01 . 1 . . . . . . . . 5517 1 397 . 1 1 42 42 GLY HA3 H 1 3.79 0.01 . 1 . . . . . . . . 5517 1 398 . 1 1 42 42 GLY H H 1 10.00 0.01 . 1 . . . . . . . . 5517 1 399 . 1 1 42 42 GLY CA C 13 48.90 0.2 . 1 . . . . . . . . 5517 1 400 . 1 1 42 42 GLY N N 15 114.50 0.2 . 1 . . . . . . . . 5517 1 401 . 1 1 43 43 LYS HA H 1 3.90 0.01 . 1 . . . . . . . . 5517 1 402 . 1 1 43 43 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 5517 1 403 . 1 1 43 43 LYS HB3 H 1 1.79 0.01 . 1 . . . . . . . . 5517 1 404 . 1 1 43 43 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5517 1 405 . 1 1 43 43 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 5517 1 406 . 1 1 43 43 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1 407 . 1 1 43 43 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1 408 . 1 1 43 43 LYS HG2 H 1 1.55 0.01 . 1 . . . . . . . . 5517 1 409 . 1 1 43 43 LYS HG3 H 1 1.37 0.01 . 1 . . . . . . . . 5517 1 410 . 1 1 43 43 LYS H H 1 8.95 0.01 . 1 . . . . . . . . 5517 1 411 . 1 1 43 43 LYS CA C 13 59.60 0.2 . 1 . . . . . . . . 5517 1 412 . 1 1 43 43 LYS CB C 13 32.20 0.2 . 1 . . . . . . . . 5517 1 413 . 1 1 43 43 LYS CD C 13 29.30 0.2 . 1 . . . . . . . . 5517 1 414 . 1 1 43 43 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1 415 . 1 1 43 43 LYS CG C 13 24.80 0.2 . 1 . . . . . . . . 5517 1 416 . 1 1 43 43 LYS N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1 417 . 1 1 44 44 GLN HB2 H 1 2.54 0.01 . 1 . . . . . . . . 5517 1 418 . 1 1 44 44 GLN HB3 H 1 2.54 0.01 . 1 . . . . . . . . 5517 1 419 . 1 1 44 44 GLN HG2 H 1 2.36 0.01 . 1 . . . . . . . . 5517 1 420 . 1 1 44 44 GLN HG3 H 1 2.36 0.01 . 1 . . . . . . . . 5517 1 421 . 1 1 44 44 GLN H H 1 7.09 0.01 . 1 . . . . . . . . 5517 1 422 . 1 1 44 44 GLN CA C 13 58.30 0.2 . 1 . . . . . . . . 5517 1 423 . 1 1 44 44 GLN CB C 13 27.90 0.2 . 1 . . . . . . . . 5517 1 424 . 1 1 44 44 GLN CG C 13 34.00 0.2 . 1 . . . . . . . . 5517 1 425 . 1 1 44 44 GLN N N 15 117.00 0.2 . 1 . . . . . . . . 5517 1 426 . 1 1 45 45 CYS HA H 1 4.46 0.01 . 1 . . . . . . . . 5517 1 427 . 1 1 45 45 CYS HB2 H 1 3.73 0.01 . 1 . . . . . . . . 5517 1 428 . 1 1 45 45 CYS HB3 H 1 2.82 0.01 . 1 . . . . . . . . 5517 1 429 . 1 1 45 45 CYS H H 1 8.06 0.01 . 1 . . . . . . . . 5517 1 430 . 1 1 45 45 CYS CA C 13 63.40 0.2 . 1 . . . . . . . . 5517 1 431 . 1 1 45 45 CYS CB C 13 27.20 0.2 . 1 . . . . . . . . 5517 1 432 . 1 1 45 45 CYS N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1 433 . 1 1 50 50 HIS HA H 1 3.86 0.01 . 1 . . . . . . . . 5517 1 434 . 1 1 50 50 HIS HB2 H 1 3.16 0.01 . 1 . . . . . . . . 5517 1 435 . 1 1 50 50 HIS HB3 H 1 3.02 0.01 . 1 . . . . . . . . 5517 1 436 . 1 1 50 50 HIS H H 1 9.06 0.01 . 1 . . . . . . . . 5517 1 437 . 1 1 50 50 HIS CA C 13 59.60 0.2 . 1 . . . . . . . . 5517 1 438 . 1 1 50 50 HIS CB C 13 30.00 0.2 . 1 . . . . . . . . 5517 1 439 . 1 1 50 50 HIS N N 15 113.70 0.2 . 1 . . . . . . . . 5517 1 440 . 1 1 51 51 ASN HA H 1 4.87 0.01 . 1 . . . . . . . . 5517 1 441 . 1 1 51 51 ASN HB2 H 1 3.05 0.01 . 1 . . . . . . . . 5517 1 442 . 1 1 51 51 ASN HB3 H 1 3.05 0.01 . 1 . . . . . . . . 5517 1 443 . 1 1 51 51 ASN H H 1 7.92 0.01 . 1 . . . . . . . . 5517 1 444 . 1 1 51 51 ASN CA C 13 53.70 0.2 . 1 . . . . . . . . 5517 1 445 . 1 1 51 51 ASN N N 15 107.50 0.2 . 1 . . . . . . . . 5517 1 446 . 1 1 52 52 HIS HA H 1 4.59 0.01 . 1 . . . . . . . . 5517 1 447 . 1 1 52 52 HIS HB2 H 1 3.01 0.01 . 1 . . . . . . . . 5517 1 448 . 1 1 52 52 HIS HB3 H 1 3.01 0.01 . 1 . . . . . . . . 5517 1 449 . 1 1 52 52 HIS H H 1 7.31 0.01 . 1 . . . . . . . . 5517 1 450 . 1 1 52 52 HIS CA C 13 58.10 0.2 . 1 . . . . . . . . 5517 1 451 . 1 1 52 52 HIS CB C 13 29.50 0.2 . 1 . . . . . . . . 5517 1 452 . 1 1 52 52 HIS N N 15 114.50 0.2 . 1 . . . . . . . . 5517 1 453 . 1 1 53 53 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 5517 1 454 . 1 1 53 53 LEU HB2 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1 455 . 1 1 53 53 LEU HB3 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1 456 . 1 1 53 53 LEU HG H 1 1.03 0.01 . 1 . . . . . . . . 5517 1 457 . 1 1 53 53 LEU H H 1 7.67 0.01 . 1 . . . . . . . . 5517 1 458 . 1 1 53 53 LEU CA C 13 55.40 0.2 . 1 . . . . . . . . 5517 1 459 . 1 1 53 53 LEU N N 15 116.70 0.2 . 1 . . . . . . . . 5517 1 460 . 1 1 54 54 ASN H H 1 7.47 0.01 . 1 . . . . . . . . 5517 1 461 . 1 1 54 54 ASN CA C 13 50.40 0.2 . 1 . . . . . . . . 5517 1 462 . 1 1 54 54 ASN CB C 13 39.00 0.2 . 1 . . . . . . . . 5517 1 463 . 1 1 54 54 ASN N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1 464 . 1 1 56 56 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5517 1 465 . 1 1 56 56 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 5517 1 466 . 1 1 56 56 GLU HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5517 1 467 . 1 1 56 56 GLU HG2 H 1 2.37 0.01 . 1 . . . . . . . . 5517 1 468 . 1 1 56 56 GLU HG3 H 1 2.34 0.01 . 1 . . . . . . . . 5517 1 469 . 1 1 56 56 GLU H H 1 7.34 0.01 . 1 . . . . . . . . 5517 1 470 . 1 1 56 56 GLU CA C 13 56.40 0.2 . 1 . . . . . . . . 5517 1 471 . 1 1 56 56 GLU CB C 13 30.30 0.2 . 1 . . . . . . . . 5517 1 472 . 1 1 56 56 GLU CG C 13 35.90 0.2 . 1 . . . . . . . . 5517 1 473 . 1 1 56 56 GLU N N 15 115.20 0.2 . 1 . . . . . . . . 5517 1 474 . 1 1 57 57 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 5517 1 475 . 1 1 57 57 VAL HB H 1 1.72 0.01 . 1 . . . . . . . . 5517 1 476 . 1 1 57 57 VAL HG11 H 1 0.70 0.01 . 1 . . . . . . . . 5517 1 477 . 1 1 57 57 VAL HG12 H 1 0.70 0.01 . 1 . . . . . . . . 5517 1 478 . 1 1 57 57 VAL HG13 H 1 0.70 0.01 . 1 . . . . . . . . 5517 1 479 . 1 1 57 57 VAL HG21 H 1 0.69 0.01 . 1 . . . . . . . . 5517 1 480 . 1 1 57 57 VAL HG22 H 1 0.69 0.01 . 1 . . . . . . . . 5517 1 481 . 1 1 57 57 VAL HG23 H 1 0.69 0.01 . 1 . . . . . . . . 5517 1 482 . 1 1 57 57 VAL H H 1 7.38 0.01 . 1 . . . . . . . . 5517 1 483 . 1 1 57 57 VAL CA C 13 63.60 0.2 . 1 . . . . . . . . 5517 1 484 . 1 1 57 57 VAL CB C 13 31.80 0.2 . 1 . . . . . . . . 5517 1 485 . 1 1 57 57 VAL CG1 C 13 21.00 0.2 . 1 . . . . . . . . 5517 1 486 . 1 1 57 57 VAL CG2 C 13 21.00 0.2 . 1 . . . . . . . . 5517 1 487 . 1 1 57 57 VAL N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1 488 . 1 1 58 58 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 5517 1 489 . 1 1 58 58 LYS HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5517 1 490 . 1 1 58 58 LYS HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5517 1 491 . 1 1 58 58 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1 492 . 1 1 58 58 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1 493 . 1 1 58 58 LYS HE2 H 1 2.80 0.01 . 1 . . . . . . . . 5517 1 494 . 1 1 58 58 LYS HE3 H 1 2.75 0.01 . 1 . . . . . . . . 5517 1 495 . 1 1 58 58 LYS HG2 H 1 1.30 0.01 . 1 . . . . . . . . 5517 1 496 . 1 1 58 58 LYS HG3 H 1 1.11 0.01 . 1 . . . . . . . . 5517 1 497 . 1 1 58 58 LYS H H 1 9.36 0.01 . 1 . . . . . . . . 5517 1 498 . 1 1 58 58 LYS CA C 13 55.10 0.2 . 1 . . . . . . . . 5517 1 499 . 1 1 58 58 LYS CB C 13 34.90 0.2 . 1 . . . . . . . . 5517 1 500 . 1 1 58 58 LYS CD C 13 28.80 0.2 . 1 . . . . . . . . 5517 1 501 . 1 1 58 58 LYS CE C 13 41.40 0.2 . 1 . . . . . . . . 5517 1 502 . 1 1 58 58 LYS CG C 13 24.90 0.2 . 1 . . . . . . . . 5517 1 503 . 1 1 58 58 LYS N N 15 129.80 0.2 . 1 . . . . . . . . 5517 1 504 . 1 1 59 59 LYS HA H 1 4.44 0.01 . 1 . . . . . . . . 5517 1 505 . 1 1 59 59 LYS HB2 H 1 1.57 0.01 . 1 . . . . . . . . 5517 1 506 . 1 1 59 59 LYS HB3 H 1 2.03 0.01 . 1 . . . . . . . . 5517 1 507 . 1 1 59 59 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5517 1 508 . 1 1 59 59 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 5517 1 509 . 1 1 59 59 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1 510 . 1 1 59 59 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1 511 . 1 1 59 59 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1 512 . 1 1 59 59 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1 513 . 1 1 59 59 LYS H H 1 8.68 0.01 . 1 . . . . . . . . 5517 1 514 . 1 1 59 59 LYS CA C 13 54.70 0.2 . 1 . . . . . . . . 5517 1 515 . 1 1 59 59 LYS CB C 13 32.80 0.2 . 1 . . . . . . . . 5517 1 516 . 1 1 59 59 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 517 . 1 1 59 59 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1 518 . 1 1 59 59 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1 519 . 1 1 59 59 LYS N N 15 123.50 0.2 . 1 . . . . . . . . 5517 1 520 . 1 1 60 60 SER HA H 1 4.32 0.01 . 1 . . . . . . . . 5517 1 521 . 1 1 60 60 SER HB2 H 1 3.97 0.01 . 1 . . . . . . . . 5517 1 522 . 1 1 60 60 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 5517 1 523 . 1 1 60 60 SER H H 1 7.11 0.01 . 1 . . . . . . . . 5517 1 524 . 1 1 60 60 SER CA C 13 56.90 0.2 . 1 . . . . . . . . 5517 1 525 . 1 1 60 60 SER CB C 13 64.30 0.2 . 1 . . . . . . . . 5517 1 526 . 1 1 60 60 SER N N 15 113.20 0.2 . 1 . . . . . . . . 5517 1 527 . 1 1 61 61 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5517 1 528 . 1 1 61 61 SER HB2 H 1 3.94 0.01 . 1 . . . . . . . . 5517 1 529 . 1 1 61 61 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 5517 1 530 . 1 1 61 61 SER H H 1 8.55 0.01 . 1 . . . . . . . . 5517 1 531 . 1 1 61 61 SER CA C 13 59.40 0.2 . 1 . . . . . . . . 5517 1 532 . 1 1 61 61 SER CB C 13 63.30 0.2 . 1 . . . . . . . . 5517 1 533 . 1 1 61 61 SER N N 15 116.70 0.2 . 1 . . . . . . . . 5517 1 534 . 1 1 62 62 TRP HA H 1 4.37 0.01 . 1 . . . . . . . . 5517 1 535 . 1 1 62 62 TRP HB2 H 1 3.07 0.01 . 1 . . . . . . . . 5517 1 536 . 1 1 62 62 TRP HB3 H 1 2.83 0.01 . 1 . . . . . . . . 5517 1 537 . 1 1 62 62 TRP H H 1 8.41 0.01 . 1 . . . . . . . . 5517 1 538 . 1 1 62 62 TRP CA C 13 57.20 0.2 . 1 . . . . . . . . 5517 1 539 . 1 1 62 62 TRP CB C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 540 . 1 1 62 62 TRP N N 15 125.00 0.2 . 1 . . . . . . . . 5517 1 541 . 1 1 63 63 THR HA H 1 4.68 0.01 . 1 . . . . . . . . 5517 1 542 . 1 1 63 63 THR HB H 1 4.79 0.01 . 1 . . . . . . . . 5517 1 543 . 1 1 63 63 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1 544 . 1 1 63 63 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1 545 . 1 1 63 63 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1 546 . 1 1 63 63 THR H H 1 9.38 0.01 . 1 . . . . . . . . 5517 1 547 . 1 1 63 63 THR CA C 13 60.00 0.2 . 1 . . . . . . . . 5517 1 548 . 1 1 63 63 THR CB C 13 71.80 0.2 . 1 . . . . . . . . 5517 1 549 . 1 1 63 63 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5517 1 550 . 1 1 63 63 THR N N 15 117.70 0.2 . 1 . . . . . . . . 5517 1 551 . 1 1 64 64 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 5517 1 552 . 1 1 64 64 GLU HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5517 1 553 . 1 1 64 64 GLU HB3 H 1 2.08 0.01 . 1 . . . . . . . . 5517 1 554 . 1 1 64 64 GLU HG2 H 1 2.43 0.01 . 1 . . . . . . . . 5517 1 555 . 1 1 64 64 GLU HG3 H 1 2.39 0.01 . 1 . . . . . . . . 5517 1 556 . 1 1 64 64 GLU H H 1 8.95 0.01 . 1 . . . . . . . . 5517 1 557 . 1 1 64 64 GLU CA C 13 59.70 0.2 . 1 . . . . . . . . 5517 1 558 . 1 1 64 64 GLU CB C 13 29.50 0.2 . 1 . . . . . . . . 5517 1 559 . 1 1 64 64 GLU CG C 13 36.50 0.2 . 1 . . . . . . . . 5517 1 560 . 1 1 64 64 GLU N N 15 120.50 0.2 . 1 . . . . . . . . 5517 1 561 . 1 1 65 65 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 5517 1 562 . 1 1 65 65 GLU HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5517 1 563 . 1 1 65 65 GLU HB3 H 1 1.95 0.01 . 1 . . . . . . . . 5517 1 564 . 1 1 65 65 GLU HG2 H 1 2.72 0.01 . 1 . . . . . . . . 5517 1 565 . 1 1 65 65 GLU HG3 H 1 2.42 0.01 . 1 . . . . . . . . 5517 1 566 . 1 1 65 65 GLU H H 1 8.44 0.01 . 1 . . . . . . . . 5517 1 567 . 1 1 65 65 GLU CA C 13 59.60 0.2 . 1 . . . . . . . . 5517 1 568 . 1 1 65 65 GLU CB C 13 29.60 0.2 . 1 . . . . . . . . 5517 1 569 . 1 1 65 65 GLU CG C 13 37.40 0.2 . 1 . . . . . . . . 5517 1 570 . 1 1 65 65 GLU N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1 571 . 1 1 66 66 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 5517 1 572 . 1 1 66 66 GLU HB2 H 1 2.16 0.01 . 1 . . . . . . . . 5517 1 573 . 1 1 66 66 GLU HB3 H 1 1.95 0.01 . 1 . . . . . . . . 5517 1 574 . 1 1 66 66 GLU H H 1 7.91 0.01 . 1 . . . . . . . . 5517 1 575 . 1 1 66 66 GLU CA C 13 59.80 0.2 . 1 . . . . . . . . 5517 1 576 . 1 1 66 66 GLU CB C 13 29.60 0.2 . 1 . . . . . . . . 5517 1 577 . 1 1 66 66 GLU N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1 578 . 1 1 67 67 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 5517 1 579 . 1 1 67 67 ASP HB2 H 1 2.84 0.01 . 1 . . . . . . . . 5517 1 580 . 1 1 67 67 ASP HB3 H 1 2.68 0.01 . 1 . . . . . . . . 5517 1 581 . 1 1 67 67 ASP H H 1 8.48 0.01 . 1 . . . . . . . . 5517 1 582 . 1 1 67 67 ASP CA C 13 57.80 0.2 . 1 . . . . . . . . 5517 1 583 . 1 1 67 67 ASP CB C 13 39.80 0.2 . 1 . . . . . . . . 5517 1 584 . 1 1 67 67 ASP N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1 585 . 1 1 68 68 ARG HA H 1 4.21 0.01 . 1 . . . . . . . . 5517 1 586 . 1 1 68 68 ARG HB2 H 1 2.15 0.01 . 1 . . . . . . . . 5517 1 587 . 1 1 68 68 ARG HB3 H 1 2.02 0.01 . 1 . . . . . . . . 5517 1 588 . 1 1 68 68 ARG HD2 H 1 3.33 0.01 . 1 . . . . . . . . 5517 1 589 . 1 1 68 68 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 5517 1 590 . 1 1 68 68 ARG HG2 H 1 1.87 0.01 . 1 . . . . . . . . 5517 1 591 . 1 1 68 68 ARG HG3 H 1 1.75 0.01 . 1 . . . . . . . . 5517 1 592 . 1 1 68 68 ARG H H 1 8.16 0.01 . 1 . . . . . . . . 5517 1 593 . 1 1 68 68 ARG CA C 13 59.90 0.2 . 1 . . . . . . . . 5517 1 594 . 1 1 68 68 ARG CB C 13 30.00 0.2 . 1 . . . . . . . . 5517 1 595 . 1 1 68 68 ARG CD C 13 43.10 0.2 . 1 . . . . . . . . 5517 1 596 . 1 1 68 68 ARG CG C 13 27.20 0.2 . 1 . . . . . . . . 5517 1 597 . 1 1 68 68 ARG N N 15 121.50 0.2 . 1 . . . . . . . . 5517 1 598 . 1 1 69 69 ILE HA H 1 3.76 0.01 . 1 . . . . . . . . 5517 1 599 . 1 1 69 69 ILE HB H 1 2.22 0.01 . 1 . . . . . . . . 5517 1 600 . 1 1 69 69 ILE HD11 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 601 . 1 1 69 69 ILE HD12 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 602 . 1 1 69 69 ILE HD13 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 603 . 1 1 69 69 ILE HG12 H 1 1.94 0.01 . 1 . . . . . . . . 5517 1 604 . 1 1 69 69 ILE HG13 H 1 1.14 0.01 . 1 . . . . . . . . 5517 1 605 . 1 1 69 69 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5517 1 606 . 1 1 69 69 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5517 1 607 . 1 1 69 69 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5517 1 608 . 1 1 69 69 ILE H H 1 8.15 0.01 . 1 . . . . . . . . 5517 1 609 . 1 1 69 69 ILE CA C 13 65.40 0.2 . 1 . . . . . . . . 5517 1 610 . 1 1 69 69 ILE CB C 13 38.10 0.2 . 1 . . . . . . . . 5517 1 611 . 1 1 69 69 ILE CD1 C 13 13.80 0.2 . 1 . . . . . . . . 5517 1 612 . 1 1 69 69 ILE CG1 C 13 29.80 0.2 . 1 . . . . . . . . 5517 1 613 . 1 1 69 69 ILE CG2 C 13 17.60 0.2 . 1 . . . . . . . . 5517 1 614 . 1 1 69 69 ILE N N 15 120.70 0.2 . 1 . . . . . . . . 5517 1 615 . 1 1 70 70 ILE HA H 1 3.61 0.01 . 1 . . . . . . . . 5517 1 616 . 1 1 70 70 ILE HB H 1 2.25 0.01 . 1 . . . . . . . . 5517 1 617 . 1 1 70 70 ILE HD11 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 618 . 1 1 70 70 ILE HD12 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 619 . 1 1 70 70 ILE HD13 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 620 . 1 1 70 70 ILE HG12 H 1 2.10 0.01 . 1 . . . . . . . . 5517 1 621 . 1 1 70 70 ILE HG13 H 1 0.97 0.01 . 1 . . . . . . . . 5517 1 622 . 1 1 70 70 ILE HG21 H 1 1.15 0.01 . 1 . . . . . . . . 5517 1 623 . 1 1 70 70 ILE HG22 H 1 1.15 0.01 . 1 . . . . . . . . 5517 1 624 . 1 1 70 70 ILE HG23 H 1 1.15 0.01 . 1 . . . . . . . . 5517 1 625 . 1 1 70 70 ILE H H 1 8.63 0.01 . 1 . . . . . . . . 5517 1 626 . 1 1 70 70 ILE CA C 13 66.50 0.2 . 1 . . . . . . . . 5517 1 627 . 1 1 70 70 ILE CB C 13 37.60 0.2 . 1 . . . . . . . . 5517 1 628 . 1 1 70 70 ILE CD1 C 13 13.70 0.2 . 1 . . . . . . . . 5517 1 629 . 1 1 70 70 ILE CG1 C 13 30.20 0.2 . 1 . . . . . . . . 5517 1 630 . 1 1 70 70 ILE CG2 C 13 18.20 0.2 . 1 . . . . . . . . 5517 1 631 . 1 1 70 70 ILE N N 15 119.00 0.2 . 1 . . . . . . . . 5517 1 632 . 1 1 71 71 PHE HA H 1 4.40 0.01 . 1 . . . . . . . . 5517 1 633 . 1 1 71 71 PHE HB2 H 1 3.42 0.01 . 1 . . . . . . . . 5517 1 634 . 1 1 71 71 PHE HB3 H 1 3.38 0.01 . 1 . . . . . . . . 5517 1 635 . 1 1 71 71 PHE H H 1 8.77 0.01 . 1 . . . . . . . . 5517 1 636 . 1 1 71 71 PHE CA C 13 62.30 0.2 . 1 . . . . . . . . 5517 1 637 . 1 1 71 71 PHE CB C 13 40.00 0.2 . 1 . . . . . . . . 5517 1 638 . 1 1 71 71 PHE N N 15 120.20 0.2 . 1 . . . . . . . . 5517 1 639 . 1 1 72 72 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 5517 1 640 . 1 1 72 72 GLU HB2 H 1 2.12 0.01 . 1 . . . . . . . . 5517 1 641 . 1 1 72 72 GLU HB3 H 1 2.12 0.01 . 1 . . . . . . . . 5517 1 642 . 1 1 72 72 GLU HG2 H 1 2.59 0.01 . 1 . . . . . . . . 5517 1 643 . 1 1 72 72 GLU HG3 H 1 2.59 0.01 . 1 . . . . . . . . 5517 1 644 . 1 1 72 72 GLU H H 1 8.75 0.01 . 1 . . . . . . . . 5517 1 645 . 1 1 72 72 GLU CA C 13 59.10 0.2 . 1 . . . . . . . . 5517 1 646 . 1 1 72 72 GLU CB C 13 29.50 0.2 . 1 . . . . . . . . 5517 1 647 . 1 1 72 72 GLU CG C 13 36.40 0.2 . 1 . . . . . . . . 5517 1 648 . 1 1 72 72 GLU N N 15 117.70 0.2 . 1 . . . . . . . . 5517 1 649 . 1 1 73 73 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 5517 1 650 . 1 1 73 73 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 5517 1 651 . 1 1 73 73 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 5517 1 652 . 1 1 73 73 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 5517 1 653 . 1 1 73 73 ALA H H 1 8.73 0.01 . 1 . . . . . . . . 5517 1 654 . 1 1 73 73 ALA CA C 13 54.50 0.2 . 1 . . . . . . . . 5517 1 655 . 1 1 73 73 ALA CB C 13 19.30 0.2 . 1 . . . . . . . . 5517 1 656 . 1 1 73 73 ALA N N 15 121.50 0.2 . 1 . . . . . . . . 5517 1 657 . 1 1 74 74 HIS HA H 1 3.70 0.01 . 1 . . . . . . . . 5517 1 658 . 1 1 74 74 HIS HB2 H 1 2.82 0.01 . 1 . . . . . . . . 5517 1 659 . 1 1 74 74 HIS HB3 H 1 2.82 0.01 . 1 . . . . . . . . 5517 1 660 . 1 1 74 74 HIS H H 1 9.21 0.01 . 1 . . . . . . . . 5517 1 661 . 1 1 74 74 HIS CA C 13 60.20 0.2 . 1 . . . . . . . . 5517 1 662 . 1 1 74 74 HIS CB C 13 27.80 0.2 . 1 . . . . . . . . 5517 1 663 . 1 1 74 74 HIS N N 15 117.50 0.2 . 1 . . . . . . . . 5517 1 664 . 1 1 75 75 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 5517 1 665 . 1 1 75 75 LYS HB2 H 1 1.87 0.01 . 1 . . . . . . . . 5517 1 666 . 1 1 75 75 LYS HB3 H 1 1.87 0.01 . 1 . . . . . . . . 5517 1 667 . 1 1 75 75 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 5517 1 668 . 1 1 75 75 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 5517 1 669 . 1 1 75 75 LYS HE2 H 1 2.77 0.01 . 1 . . . . . . . . 5517 1 670 . 1 1 75 75 LYS HE3 H 1 2.77 0.01 . 1 . . . . . . . . 5517 1 671 . 1 1 75 75 LYS HG2 H 1 1.54 0.01 . 1 . . . . . . . . 5517 1 672 . 1 1 75 75 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 5517 1 673 . 1 1 75 75 LYS H H 1 7.45 0.01 . 1 . . . . . . . . 5517 1 674 . 1 1 75 75 LYS CA C 13 59.50 0.2 . 1 . . . . . . . . 5517 1 675 . 1 1 75 75 LYS CB C 13 32.90 0.2 . 1 . . . . . . . . 5517 1 676 . 1 1 75 75 LYS CD C 13 29.50 0.2 . 1 . . . . . . . . 5517 1 677 . 1 1 75 75 LYS CE C 13 41.70 0.2 . 1 . . . . . . . . 5517 1 678 . 1 1 75 75 LYS CG C 13 24.80 0.2 . 1 . . . . . . . . 5517 1 679 . 1 1 75 75 LYS N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1 680 . 1 1 76 76 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 5517 1 681 . 1 1 76 76 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5517 1 682 . 1 1 76 76 VAL HG11 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 683 . 1 1 76 76 VAL HG12 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 684 . 1 1 76 76 VAL HG13 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 685 . 1 1 76 76 VAL HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 686 . 1 1 76 76 VAL HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 687 . 1 1 76 76 VAL HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 688 . 1 1 76 76 VAL H H 1 6.78 0.01 . 1 . . . . . . . . 5517 1 689 . 1 1 76 76 VAL CA C 13 63.50 0.2 . 1 . . . . . . . . 5517 1 690 . 1 1 76 76 VAL CB C 13 33.60 0.2 . 1 . . . . . . . . 5517 1 691 . 1 1 76 76 VAL CG1 C 13 20.80 0.2 . 1 . . . . . . . . 5517 1 692 . 1 1 76 76 VAL CG2 C 13 21.40 0.2 . 1 . . . . . . . . 5517 1 693 . 1 1 76 76 VAL N N 15 113.20 0.2 . 1 . . . . . . . . 5517 1 694 . 1 1 77 77 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 5517 1 695 . 1 1 77 77 LEU HD11 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1 696 . 1 1 77 77 LEU HD12 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1 697 . 1 1 77 77 LEU HD13 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1 698 . 1 1 77 77 LEU HD21 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1 699 . 1 1 77 77 LEU HD22 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1 700 . 1 1 77 77 LEU HD23 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1 701 . 1 1 77 77 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 5517 1 702 . 1 1 77 77 LEU H H 1 8.46 0.01 . 1 . . . . . . . . 5517 1 703 . 1 1 77 77 LEU CA C 13 55.40 0.2 . 1 . . . . . . . . 5517 1 704 . 1 1 77 77 LEU N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1 705 . 1 1 78 78 GLY HA2 H 1 3.45 0.01 . 1 . . . . . . . . 5517 1 706 . 1 1 78 78 GLY HA3 H 1 2.37 0.01 . 1 . . . . . . . . 5517 1 707 . 1 1 78 78 GLY H H 1 7.62 0.01 . 1 . . . . . . . . 5517 1 708 . 1 1 78 78 GLY CA C 13 44.50 0.2 . 1 . . . . . . . . 5517 1 709 . 1 1 78 78 GLY N N 15 108.20 0.2 . 1 . . . . . . . . 5517 1 710 . 1 1 79 79 ASN HA H 1 3.06 0.01 . 1 . . . . . . . . 5517 1 711 . 1 1 79 79 ASN HB2 H 1 2.48 0.01 . 1 . . . . . . . . 5517 1 712 . 1 1 79 79 ASN HB3 H 1 2.36 0.01 . 1 . . . . . . . . 5517 1 713 . 1 1 79 79 ASN H H 1 8.00 0.01 . 1 . . . . . . . . 5517 1 714 . 1 1 79 79 ASN CA C 13 51.50 0.2 . 1 . . . . . . . . 5517 1 715 . 1 1 79 79 ASN CB C 13 35.30 0.2 . 1 . . . . . . . . 5517 1 716 . 1 1 79 79 ASN N N 15 124.00 0.2 . 1 . . . . . . . . 5517 1 717 . 1 1 80 80 ARG HA H 1 4.85 0.01 . 1 . . . . . . . . 5517 1 718 . 1 1 80 80 ARG HB2 H 1 1.11 0.01 . 1 . . . . . . . . 5517 1 719 . 1 1 80 80 ARG HB3 H 1 1.11 0.01 . 1 . . . . . . . . 5517 1 720 . 1 1 80 80 ARG HD2 H 1 3.11 0.01 . 1 . . . . . . . . 5517 1 721 . 1 1 80 80 ARG HD3 H 1 3.07 0.01 . 1 . . . . . . . . 5517 1 722 . 1 1 80 80 ARG HG2 H 1 1.49 0.01 . 1 . . . . . . . . 5517 1 723 . 1 1 80 80 ARG HG3 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1 724 . 1 1 80 80 ARG H H 1 7.01 0.01 . 1 . . . . . . . . 5517 1 725 . 1 1 80 80 ARG CA C 13 52.60 0.2 . 1 . . . . . . . . 5517 1 726 . 1 1 80 80 ARG CB C 13 28.40 0.2 . 1 . . . . . . . . 5517 1 727 . 1 1 80 80 ARG CD C 13 43.40 0.2 . 1 . . . . . . . . 5517 1 728 . 1 1 80 80 ARG CG C 13 26.50 0.2 . 1 . . . . . . . . 5517 1 729 . 1 1 80 80 ARG N N 15 123.80 0.2 . 1 . . . . . . . . 5517 1 730 . 1 1 81 81 TRP HA H 1 4.34 0.01 . 1 . . . . . . . . 5517 1 731 . 1 1 81 81 TRP HB2 H 1 3.63 0.01 . 1 . . . . . . . . 5517 1 732 . 1 1 81 81 TRP HB3 H 1 3.48 0.01 . 1 . . . . . . . . 5517 1 733 . 1 1 81 81 TRP H H 1 6.76 0.01 . 1 . . . . . . . . 5517 1 734 . 1 1 81 81 TRP CA C 13 59.00 0.2 . 1 . . . . . . . . 5517 1 735 . 1 1 81 81 TRP CB C 13 29.30 0.2 . 1 . . . . . . . . 5517 1 736 . 1 1 81 81 TRP N N 15 123.80 0.2 . 1 . . . . . . . . 5517 1 737 . 1 1 82 82 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 5517 1 738 . 1 1 82 82 ALA HB1 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1 739 . 1 1 82 82 ALA HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1 740 . 1 1 82 82 ALA HB3 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1 741 . 1 1 82 82 ALA H H 1 10.13 0.01 . 1 . . . . . . . . 5517 1 742 . 1 1 82 82 ALA CA C 13 55.80 0.2 . 1 . . . . . . . . 5517 1 743 . 1 1 82 82 ALA CB C 13 17.90 0.2 . 1 . . . . . . . . 5517 1 744 . 1 1 82 82 ALA N N 15 122.50 0.2 . 1 . . . . . . . . 5517 1 745 . 1 1 83 83 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5517 1 746 . 1 1 83 83 GLU HB2 H 1 1.91 0.01 . 1 . . . . . . . . 5517 1 747 . 1 1 83 83 GLU HB3 H 1 1.91 0.01 . 1 . . . . . . . . 5517 1 748 . 1 1 83 83 GLU HG2 H 1 2.27 0.01 . 1 . . . . . . . . 5517 1 749 . 1 1 83 83 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 5517 1 750 . 1 1 83 83 GLU H H 1 7.93 0.01 . 1 . . . . . . . . 5517 1 751 . 1 1 83 83 GLU CA C 13 58.80 0.2 . 1 . . . . . . . . 5517 1 752 . 1 1 83 83 GLU CB C 13 30.80 0.2 . 1 . . . . . . . . 5517 1 753 . 1 1 83 83 GLU CG C 13 36.70 0.2 . 1 . . . . . . . . 5517 1 754 . 1 1 83 83 GLU N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1 755 . 1 1 84 84 ILE HA H 1 3.50 0.01 . 1 . . . . . . . . 5517 1 756 . 1 1 84 84 ILE HD11 H 1 0.73 0.01 . 1 . . . . . . . . 5517 1 757 . 1 1 84 84 ILE HD12 H 1 0.73 0.01 . 1 . . . . . . . . 5517 1 758 . 1 1 84 84 ILE HD13 H 1 0.73 0.01 . 1 . . . . . . . . 5517 1 759 . 1 1 84 84 ILE HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5517 1 760 . 1 1 84 84 ILE HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5517 1 761 . 1 1 84 84 ILE HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5517 1 762 . 1 1 84 84 ILE H H 1 8.39 0.01 . 1 . . . . . . . . 5517 1 763 . 1 1 84 84 ILE CA C 13 65.90 0.2 . 1 . . . . . . . . 5517 1 764 . 1 1 84 84 ILE CB C 13 38.60 0.2 . 1 . . . . . . . . 5517 1 765 . 1 1 84 84 ILE CD1 C 13 12.70 0.2 . 1 . . . . . . . . 5517 1 766 . 1 1 84 84 ILE CG2 C 13 18.20 0.2 . 1 . . . . . . . . 5517 1 767 . 1 1 84 84 ILE N N 15 121.20 0.2 . 1 . . . . . . . . 5517 1 768 . 1 1 85 85 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 5517 1 769 . 1 1 85 85 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1 770 . 1 1 85 85 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1 771 . 1 1 85 85 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1 772 . 1 1 85 85 ALA H H 1 9.03 0.01 . 1 . . . . . . . . 5517 1 773 . 1 1 85 85 ALA CA C 13 55.50 0.2 . 1 . . . . . . . . 5517 1 774 . 1 1 85 85 ALA CB C 13 17.30 0.2 . 1 . . . . . . . . 5517 1 775 . 1 1 85 85 ALA N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1 776 . 1 1 86 86 LYS HA H 1 4.00 0.01 . 1 . . . . . . . . 5517 1 777 . 1 1 86 86 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 5517 1 778 . 1 1 86 86 LYS HB3 H 1 1.88 0.01 . 1 . . . . . . . . 5517 1 779 . 1 1 86 86 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 5517 1 780 . 1 1 86 86 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 5517 1 781 . 1 1 86 86 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5517 1 782 . 1 1 86 86 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5517 1 783 . 1 1 86 86 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1 784 . 1 1 86 86 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 5517 1 785 . 1 1 86 86 LYS H H 1 7.14 0.01 . 1 . . . . . . . . 5517 1 786 . 1 1 86 86 LYS CA C 13 59.20 0.2 . 1 . . . . . . . . 5517 1 787 . 1 1 86 86 LYS CB C 13 32.90 0.2 . 1 . . . . . . . . 5517 1 788 . 1 1 86 86 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 789 . 1 1 86 86 LYS CE C 13 41.70 0.2 . 1 . . . . . . . . 5517 1 790 . 1 1 86 86 LYS CG C 13 23.60 0.2 . 1 . . . . . . . . 5517 1 791 . 1 1 86 86 LYS N N 15 115.70 0.2 . 1 . . . . . . . . 5517 1 792 . 1 1 87 87 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 5517 1 793 . 1 1 87 87 LEU H H 1 7.89 0.01 . 1 . . . . . . . . 5517 1 794 . 1 1 87 87 LEU CA C 13 54.80 0.2 . 1 . . . . . . . . 5517 1 795 . 1 1 87 87 LEU N N 15 117.00 0.2 . 1 . . . . . . . . 5517 1 796 . 1 1 88 88 LEU HA H 1 4.85 0.01 . 1 . . . . . . . . 5517 1 797 . 1 1 88 88 LEU H H 1 7.56 0.01 . 1 . . . . . . . . 5517 1 798 . 1 1 88 88 LEU CA C 13 51.10 0.2 . 1 . . . . . . . . 5517 1 799 . 1 1 88 88 LEU N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1 800 . 1 1 90 90 GLY HA2 H 1 4.24 0.01 . 1 . . . . . . . . 5517 1 801 . 1 1 90 90 GLY HA3 H 1 3.98 0.01 . 1 . . . . . . . . 5517 1 802 . 1 1 90 90 GLY H H 1 8.80 0.01 . 1 . . . . . . . . 5517 1 803 . 1 1 90 90 GLY CA C 13 45.20 0.2 . 1 . . . . . . . . 5517 1 804 . 1 1 90 90 GLY N N 15 113.00 0.2 . 1 . . . . . . . . 5517 1 805 . 1 1 91 91 ARG HA H 1 4.99 0.01 . 1 . . . . . . . . 5517 1 806 . 1 1 91 91 ARG HB2 H 1 2.45 0.01 . 1 . . . . . . . . 5517 1 807 . 1 1 91 91 ARG HB3 H 1 2.45 0.01 . 1 . . . . . . . . 5517 1 808 . 1 1 91 91 ARG HD2 H 1 2.68 0.01 . 1 . . . . . . . . 5517 1 809 . 1 1 91 91 ARG HD3 H 1 2.68 0.01 . 1 . . . . . . . . 5517 1 810 . 1 1 91 91 ARG HG2 H 1 1.45 0.01 . 1 . . . . . . . . 5517 1 811 . 1 1 91 91 ARG HG3 H 1 1.12 0.01 . 1 . . . . . . . . 5517 1 812 . 1 1 91 91 ARG H H 1 8.22 0.01 . 1 . . . . . . . . 5517 1 813 . 1 1 91 91 ARG CA C 13 51.90 0.2 . 1 . . . . . . . . 5517 1 814 . 1 1 91 91 ARG CB C 13 31.20 0.2 . 1 . . . . . . . . 5517 1 815 . 1 1 91 91 ARG CG C 13 25.70 0.2 . 1 . . . . . . . . 5517 1 816 . 1 1 91 91 ARG N N 15 117.50 0.2 . 1 . . . . . . . . 5517 1 817 . 1 1 92 92 THR HA H 1 4.76 0.01 . 1 . . . . . . . . 5517 1 818 . 1 1 92 92 THR HB H 1 4.75 0.01 . 1 . . . . . . . . 5517 1 819 . 1 1 92 92 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . 5517 1 820 . 1 1 92 92 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . 5517 1 821 . 1 1 92 92 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . 5517 1 822 . 1 1 92 92 THR H H 1 7.71 0.01 . 1 . . . . . . . . 5517 1 823 . 1 1 92 92 THR CA C 13 59.30 0.2 . 1 . . . . . . . . 5517 1 824 . 1 1 92 92 THR CB C 13 72.10 0.2 . 1 . . . . . . . . 5517 1 825 . 1 1 92 92 THR CG2 C 13 21.90 0.2 . 1 . . . . . . . . 5517 1 826 . 1 1 92 92 THR N N 15 110.00 0.2 . 1 . . . . . . . . 5517 1 827 . 1 1 93 93 ASP HA H 1 4.00 0.01 . 1 . . . . . . . . 5517 1 828 . 1 1 93 93 ASP HB2 H 1 2.93 0.01 . 1 . . . . . . . . 5517 1 829 . 1 1 93 93 ASP HB3 H 1 2.93 0.01 . 1 . . . . . . . . 5517 1 830 . 1 1 93 93 ASP H H 1 9.43 0.01 . 1 . . . . . . . . 5517 1 831 . 1 1 93 93 ASP CA C 13 57.20 0.2 . 1 . . . . . . . . 5517 1 832 . 1 1 93 93 ASP CB C 13 38.60 0.2 . 1 . . . . . . . . 5517 1 833 . 1 1 93 93 ASP N N 15 121.20 0.2 . 1 . . . . . . . . 5517 1 834 . 1 1 94 94 ASN HA H 1 4.29 0.01 . 1 . . . . . . . . 5517 1 835 . 1 1 94 94 ASN HB2 H 1 2.73 0.01 . 1 . . . . . . . . 5517 1 836 . 1 1 94 94 ASN HB3 H 1 2.60 0.01 . 1 . . . . . . . . 5517 1 837 . 1 1 94 94 ASN H H 1 8.28 0.01 . 1 . . . . . . . . 5517 1 838 . 1 1 94 94 ASN CA C 13 56.50 0.2 . 1 . . . . . . . . 5517 1 839 . 1 1 94 94 ASN CB C 13 38.60 0.2 . 1 . . . . . . . . 5517 1 840 . 1 1 94 94 ASN N N 15 120.70 0.2 . 1 . . . . . . . . 5517 1 841 . 1 1 95 95 ALA HA H 1 4.53 0.01 . 1 . . . . . . . . 5517 1 842 . 1 1 95 95 ALA HB1 H 1 1.85 0.01 . 1 . . . . . . . . 5517 1 843 . 1 1 95 95 ALA HB2 H 1 1.85 0.01 . 1 . . . . . . . . 5517 1 844 . 1 1 95 95 ALA HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5517 1 845 . 1 1 95 95 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 5517 1 846 . 1 1 95 95 ALA CA C 13 55.10 0.2 . 1 . . . . . . . . 5517 1 847 . 1 1 95 95 ALA CB C 13 19.00 0.2 . 1 . . . . . . . . 5517 1 848 . 1 1 95 95 ALA N N 15 120.50 0.2 . 1 . . . . . . . . 5517 1 849 . 1 1 96 96 VAL HA H 1 3.54 0.01 . 1 . . . . . . . . 5517 1 850 . 1 1 96 96 VAL HB H 1 2.31 0.01 . 1 . . . . . . . . 5517 1 851 . 1 1 96 96 VAL HG11 H 1 1.31 0.01 . 1 . . . . . . . . 5517 1 852 . 1 1 96 96 VAL HG12 H 1 1.31 0.01 . 1 . . . . . . . . 5517 1 853 . 1 1 96 96 VAL HG13 H 1 1.31 0.01 . 1 . . . . . . . . 5517 1 854 . 1 1 96 96 VAL HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5517 1 855 . 1 1 96 96 VAL HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5517 1 856 . 1 1 96 96 VAL HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5517 1 857 . 1 1 96 96 VAL H H 1 8.73 0.01 . 1 . . . . . . . . 5517 1 858 . 1 1 96 96 VAL CA C 13 67.20 0.2 . 1 . . . . . . . . 5517 1 859 . 1 1 96 96 VAL CB C 13 32.10 0.2 . 1 . . . . . . . . 5517 1 860 . 1 1 96 96 VAL CG1 C 13 24.10 0.2 . 1 . . . . . . . . 5517 1 861 . 1 1 96 96 VAL CG2 C 13 22.20 0.2 . 1 . . . . . . . . 5517 1 862 . 1 1 96 96 VAL N N 15 119.20 0.2 . 1 . . . . . . . . 5517 1 863 . 1 1 97 97 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 5517 1 864 . 1 1 97 97 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5517 1 865 . 1 1 97 97 LYS HB3 H 1 1.27 0.01 . 1 . . . . . . . . 5517 1 866 . 1 1 97 97 LYS HD2 H 1 1.50 0.01 . 1 . . . . . . . . 5517 1 867 . 1 1 97 97 LYS HD3 H 1 1.50 0.01 . 1 . . . . . . . . 5517 1 868 . 1 1 97 97 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5517 1 869 . 1 1 97 97 LYS HE3 H 1 2.79 0.01 . 1 . . . . . . . . 5517 1 870 . 1 1 97 97 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1 871 . 1 1 97 97 LYS HG3 H 1 1.30 0.01 . 1 . . . . . . . . 5517 1 872 . 1 1 97 97 LYS H H 1 7.69 0.01 . 1 . . . . . . . . 5517 1 873 . 1 1 97 97 LYS CA C 13 58.90 0.2 . 1 . . . . . . . . 5517 1 874 . 1 1 97 97 LYS CB C 13 32.70 0.2 . 1 . . . . . . . . 5517 1 875 . 1 1 97 97 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 876 . 1 1 97 97 LYS CE C 13 41.70 0.2 . 1 . . . . . . . . 5517 1 877 . 1 1 97 97 LYS CG C 13 24.80 0.2 . 1 . . . . . . . . 5517 1 878 . 1 1 97 97 LYS N N 15 121.70 0.2 . 1 . . . . . . . . 5517 1 879 . 1 1 98 98 ASN HA H 1 4.51 0.01 . 1 . . . . . . . . 5517 1 880 . 1 1 98 98 ASN HB2 H 1 3.02 0.01 . 1 . . . . . . . . 5517 1 881 . 1 1 98 98 ASN HB3 H 1 2.90 0.01 . 1 . . . . . . . . 5517 1 882 . 1 1 98 98 ASN H H 1 8.51 0.01 . 1 . . . . . . . . 5517 1 883 . 1 1 98 98 ASN CA C 13 55.10 0.2 . 1 . . . . . . . . 5517 1 884 . 1 1 98 98 ASN CB C 13 41.30 0.2 . 1 . . . . . . . . 5517 1 885 . 1 1 98 98 ASN N N 15 116.20 0.2 . 1 . . . . . . . . 5517 1 886 . 1 1 99 99 HIS HA H 1 4.49 0.01 . 1 . . . . . . . . 5517 1 887 . 1 1 99 99 HIS HB2 H 1 2.88 0.01 . 1 . . . . . . . . 5517 1 888 . 1 1 99 99 HIS HB3 H 1 2.50 0.01 . 1 . . . . . . . . 5517 1 889 . 1 1 99 99 HIS H H 1 8.27 0.01 . 1 . . . . . . . . 5517 1 890 . 1 1 99 99 HIS CA C 13 57.70 0.2 . 1 . . . . . . . . 5517 1 891 . 1 1 99 99 HIS CB C 13 28.30 0.2 . 1 . . . . . . . . 5517 1 892 . 1 1 99 99 HIS N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1 893 . 1 1 100 100 TRP HA H 1 3.78 0.01 . 1 . . . . . . . . 5517 1 894 . 1 1 100 100 TRP HB2 H 1 3.09 0.01 . 1 . . . . . . . . 5517 1 895 . 1 1 100 100 TRP HB3 H 1 3.08 0.01 . 1 . . . . . . . . 5517 1 896 . 1 1 100 100 TRP H H 1 8.93 0.01 . 1 . . . . . . . . 5517 1 897 . 1 1 100 100 TRP CA C 13 60.80 0.2 . 1 . . . . . . . . 5517 1 898 . 1 1 100 100 TRP N N 15 122.20 0.2 . 1 . . . . . . . . 5517 1 899 . 1 1 101 101 ASN HA H 1 4.22 0.01 . 1 . . . . . . . . 5517 1 900 . 1 1 101 101 ASN HB2 H 1 2.84 0.01 . 1 . . . . . . . . 5517 1 901 . 1 1 101 101 ASN HB3 H 1 2.65 0.01 . 1 . . . . . . . . 5517 1 902 . 1 1 101 101 ASN H H 1 8.48 0.01 . 1 . . . . . . . . 5517 1 903 . 1 1 101 101 ASN CA C 13 55.90 0.2 . 1 . . . . . . . . 5517 1 904 . 1 1 101 101 ASN CB C 13 38.60 0.2 . 1 . . . . . . . . 5517 1 905 . 1 1 101 101 ASN N N 15 113.70 0.2 . 1 . . . . . . . . 5517 1 906 . 1 1 102 102 SER HA H 1 4.20 0.01 . 1 . . . . . . . . 5517 1 907 . 1 1 102 102 SER HB2 H 1 3.88 0.01 . 1 . . . . . . . . 5517 1 908 . 1 1 102 102 SER HB3 H 1 3.82 0.01 . 1 . . . . . . . . 5517 1 909 . 1 1 102 102 SER H H 1 8.34 0.01 . 1 . . . . . . . . 5517 1 910 . 1 1 102 102 SER CA C 13 60.40 0.2 . 1 . . . . . . . . 5517 1 911 . 1 1 102 102 SER CB C 13 64.70 0.2 . 1 . . . . . . . . 5517 1 912 . 1 1 102 102 SER N N 15 111.50 0.2 . 1 . . . . . . . . 5517 1 913 . 1 1 103 103 THR HA H 1 4.18 0.01 . 1 . . . . . . . . 5517 1 914 . 1 1 103 103 THR HB H 1 3.43 0.01 . 1 . . . . . . . . 5517 1 915 . 1 1 103 103 THR HG21 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 916 . 1 1 103 103 THR HG22 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 917 . 1 1 103 103 THR HG23 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1 918 . 1 1 103 103 THR H H 1 7.27 0.01 . 1 . . . . . . . . 5517 1 919 . 1 1 103 103 THR CA C 13 65.10 0.2 . 1 . . . . . . . . 5517 1 920 . 1 1 103 103 THR CB C 13 70.20 0.2 . 1 . . . . . . . . 5517 1 921 . 1 1 103 103 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5517 1 922 . 1 1 103 103 THR N N 15 113.2 0.2 . 1 . . . . . . . . 5517 1 923 . 1 1 104 104 ILE HA H 1 3.46 0.01 . 1 . . . . . . . . 5517 1 924 . 1 1 104 104 ILE HB H 1 1.40 0.01 . 1 . . . . . . . . 5517 1 925 . 1 1 104 104 ILE HD11 H 1 0.56 0.01 . 1 . . . . . . . . 5517 1 926 . 1 1 104 104 ILE HD12 H 1 0.56 0.01 . 1 . . . . . . . . 5517 1 927 . 1 1 104 104 ILE HD13 H 1 0.56 0.01 . 1 . . . . . . . . 5517 1 928 . 1 1 104 104 ILE HG12 H 1 0.71 0.01 . 1 . . . . . . . . 5517 1 929 . 1 1 104 104 ILE HG13 H 1 0.50 0.01 . 1 . . . . . . . . 5517 1 930 . 1 1 104 104 ILE HG21 H 1 0.57 0.01 . 1 . . . . . . . . 5517 1 931 . 1 1 104 104 ILE HG22 H 1 0.57 0.01 . 1 . . . . . . . . 5517 1 932 . 1 1 104 104 ILE HG23 H 1 0.57 0.01 . 1 . . . . . . . . 5517 1 933 . 1 1 104 104 ILE H H 1 7.33 0.01 . 1 . . . . . . . . 5517 1 934 . 1 1 104 104 ILE CA C 13 63.60 0.2 . 1 . . . . . . . . 5517 1 935 . 1 1 104 104 ILE CB C 13 39.30 0.2 . 1 . . . . . . . . 5517 1 936 . 1 1 104 104 ILE CD1 C 13 12.00 0.2 . 1 . . . . . . . . 5517 1 937 . 1 1 104 104 ILE CG1 C 13 27.00 0.2 . 1 . . . . . . . . 5517 1 938 . 1 1 104 104 ILE CG2 C 13 18.40 0.2 . 1 . . . . . . . . 5517 1 939 . 1 1 104 104 ILE N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1 940 . 1 1 105 105 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 5517 1 941 . 1 1 105 105 LYS HB2 H 1 1.77 0.01 . 1 . . . . . . . . 5517 1 942 . 1 1 105 105 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5517 1 943 . 1 1 105 105 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1 944 . 1 1 105 105 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1 945 . 1 1 105 105 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1 946 . 1 1 105 105 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1 947 . 1 1 105 105 LYS HG2 H 1 1.37 0.01 . 1 . . . . . . . . 5517 1 948 . 1 1 105 105 LYS HG3 H 1 1.37 0.01 . 1 . . . . . . . . 5517 1 949 . 1 1 105 105 LYS H H 1 7.98 0.01 . 1 . . . . . . . . 5517 1 950 . 1 1 105 105 LYS CA C 13 58.30 0.2 . 1 . . . . . . . . 5517 1 951 . 1 1 105 105 LYS CB C 13 31.50 0.2 . 1 . . . . . . . . 5517 1 952 . 1 1 105 105 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 953 . 1 1 105 105 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1 954 . 1 1 105 105 LYS CG C 13 24.50 0.2 . 1 . . . . . . . . 5517 1 955 . 1 1 105 105 LYS N N 15 119.80 0.2 . 1 . . . . . . . . 5517 1 956 . 1 1 106 106 ARG HA H 1 4.12 0.01 . 1 . . . . . . . . 5517 1 957 . 1 1 106 106 ARG HB2 H 1 1.81 0.01 . 1 . . . . . . . . 5517 1 958 . 1 1 106 106 ARG HB3 H 1 1.72 0.01 . 1 . . . . . . . . 5517 1 959 . 1 1 106 106 ARG HD2 H 1 3.17 0.01 . 1 . . . . . . . . 5517 1 960 . 1 1 106 106 ARG HD3 H 1 3.17 0.01 . 1 . . . . . . . . 5517 1 961 . 1 1 106 106 ARG HG2 H 1 1.59 0.01 . 1 . . . . . . . . 5517 1 962 . 1 1 106 106 ARG HG3 H 1 1.45 0.01 . 1 . . . . . . . . 5517 1 963 . 1 1 106 106 ARG H H 1 7.04 0.01 . 1 . . . . . . . . 5517 1 964 . 1 1 106 106 ARG CA C 13 56.60 0.2 . 1 . . . . . . . . 5517 1 965 . 1 1 106 106 ARG CB C 13 30.30 0.2 . 1 . . . . . . . . 5517 1 966 . 1 1 106 106 ARG CD C 13 43.30 0.2 . 1 . . . . . . . . 5517 1 967 . 1 1 106 106 ARG CG C 13 27.20 0.2 . 1 . . . . . . . . 5517 1 968 . 1 1 106 106 ARG N N 15 115.50 0.2 . 1 . . . . . . . . 5517 1 969 . 1 1 107 107 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 5517 1 970 . 1 1 107 107 LYS HB2 H 1 1.88 0.01 . 1 . . . . . . . . 5517 1 971 . 1 1 107 107 LYS HB3 H 1 1.74 0.01 . 1 . . . . . . . . 5517 1 972 . 1 1 107 107 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 5517 1 973 . 1 1 107 107 LYS HD3 H 1 1.34 0.01 . 1 . . . . . . . . 5517 1 974 . 1 1 107 107 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5517 1 975 . 1 1 107 107 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 5517 1 976 . 1 1 107 107 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5517 1 977 . 1 1 107 107 LYS HG3 H 1 1.34 0.01 . 1 . . . . . . . . 5517 1 978 . 1 1 107 107 LYS H H 1 7.68 0.01 . 1 . . . . . . . . 5517 1 979 . 1 1 107 107 LYS CA C 13 56.70 0.2 . 1 . . . . . . . . 5517 1 980 . 1 1 107 107 LYS CB C 13 33.00 0.2 . 1 . . . . . . . . 5517 1 981 . 1 1 107 107 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1 982 . 1 1 107 107 LYS CE C 13 41.70 0.2 . 1 . . . . . . . . 5517 1 983 . 1 1 107 107 LYS CG C 13 24.60 0.2 . 1 . . . . . . . . 5517 1 984 . 1 1 107 107 LYS N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1 985 . 1 1 108 108 VAL HA H 1 4.13 0.01 . 1 . . . . . . . . 5517 1 986 . 1 1 108 108 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 5517 1 987 . 1 1 108 108 VAL HG11 H 1 0.92 0.01 . 1 . . . . . . . . 5517 1 988 . 1 1 108 108 VAL HG12 H 1 0.92 0.01 . 1 . . . . . . . . 5517 1 989 . 1 1 108 108 VAL HG13 H 1 0.92 0.01 . 1 . . . . . . . . 5517 1 990 . 1 1 108 108 VAL HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 991 . 1 1 108 108 VAL HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 992 . 1 1 108 108 VAL HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1 993 . 1 1 108 108 VAL H H 1 7.62 0.01 . 1 . . . . . . . . 5517 1 994 . 1 1 108 108 VAL CA C 13 62.10 0.2 . 1 . . . . . . . . 5517 1 995 . 1 1 108 108 VAL CB C 13 33.10 0.2 . 1 . . . . . . . . 5517 1 996 . 1 1 108 108 VAL CG1 C 13 20.40 0.2 . 1 . . . . . . . . 5517 1 997 . 1 1 108 108 VAL CG2 C 13 21.08 0.2 . 1 . . . . . . . . 5517 1 998 . 1 1 108 108 VAL N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1 999 . 1 1 109 109 ASP HA H 1 4.71 0.01 . 1 . . . . . . . . 5517 1 1000 . 1 1 109 109 ASP HB2 H 1 2.74 0.01 . 1 . . . . . . . . 5517 1 1001 . 1 1 109 109 ASP HB3 H 1 2.59 0.01 . 1 . . . . . . . . 5517 1 1002 . 1 1 109 109 ASP H H 1 8.31 0.01 . 1 . . . . . . . . 5517 1 1003 . 1 1 109 109 ASP CA C 13 54.40 0.2 . 1 . . . . . . . . 5517 1 1004 . 1 1 109 109 ASP CB C 13 41.30 0.2 . 1 . . . . . . . . 5517 1 1005 . 1 1 109 109 ASP N N 15 123.70 0.2 . 1 . . . . . . . . 5517 1 1006 . 1 1 110 110 THR HA H 1 4.15 0.01 . 1 . . . . . . . . 5517 1 1007 . 1 1 110 110 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 5517 1 1008 . 1 1 110 110 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 1009 . 1 1 110 110 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 1010 . 1 1 110 110 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1 1011 . 1 1 110 110 THR H H 1 7.69 0.01 . 1 . . . . . . . . 5517 1 1012 . 1 1 110 110 THR CA C 13 63.10 0.2 . 1 . . . . . . . . 5517 1 1013 . 1 1 110 110 THR CB C 13 71.20 0.2 . 1 . . . . . . . . 5517 1 1014 . 1 1 110 110 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5517 1 1015 . 1 1 110 110 THR N N 15 119.00 0.2 . 1 . . . . . . . . 5517 1 stop_ save_