data_4901 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4901 _Entry.Title ; 1H, 15N, 13C assignments of the N-terminal domain of the human TFIIH p62 subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-22 _Entry.Accession_date 2000-11-22 _Entry.Last_release_date 2001-04-26 _Entry.Original_release_date 2001-04-26 _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 Virginie Gervais . . . 4901 2 Valerie Lamour . . . 4901 3 Florence Gaudin . . . 4901 4 Jean-Claude Thierry . . . 4901 5 Bruno Kieffer . . . 4901 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4901 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 729 4901 '13C chemical shifts' 316 4901 '15N chemical shifts' 108 4901 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-04-26 2000-11-22 original author . 4901 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4901 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N, 13C resonances of the N-terminal domain of the human TFIIH p62 subunit ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 3 _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 281 _Citation.Page_last 282 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Virginie Gervais . . . 4901 1 2 Valerie Lamour . . . 4901 1 3 Florence Gaudin . . . 4901 1 4 Jean-Claude Thierry . . . 4901 1 5 Bruno Kieffer . . . 4901 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID p62 4901 1 'transcription factor' 4901 1 TFIIH 4901 1 'heteronuclear NMR' 4901 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 4901 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 1529339 _Citation.Full_citation ; Fischer L, Gerard M, Chalut C, Lutz Y, Humbert S, Kanno M, Chambon P, Egly JM. Cloning of the 62-kilodalton component of basic transcription factor BTF2. Science. 1992 Sep 4;257(5075):1392-5. ; _Citation.Title 'Cloning of the 62-kilodalton component of basic transcription factor BTF2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 257 _Citation.Journal_issue 5075 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0036-8075 _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 1392 _Citation.Page_last 1395 _Citation.Year 1992 _Citation.Details ; Cloning of the mammalian basic transcription factors serves as a major step in understanding the mechanism of transcription initiation. The 62-kilodalton component (p62) of one of these transcription factors, BTF2 was cloned and overexpressed. A monoclonal antibody to this polypeptide inhibited transcription in vitro. Immunoaffinity experiments demonstrated that the 62-kilodalton component is closely associated with the other polypeptides present in the BTF2 factor. Sequence similarity suggests that BTF2 may be the human counterpart of RNA polymerase II initiation factor b from yeast. ; 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 L. Fischer L. . . 4901 2 2 M. Gerard M. . . 4901 2 3 C. Chalut C. . . 4901 2 4 Y. Lutz Y. . . 4901 2 5 S. Humbert S. . . 4901 2 6 M. Kanno M. . . 4901 2 7 P. Chambon P. . . 4901 2 8 J.M. Egly J. M. . 4901 2 stop_ save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 4901 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 1 _Citation.Page_last 10 _Citation.Year 1995 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Bartels . . . 4901 3 2 T.-H. Xia . . . 4901 3 3 Martin Billeter . . . 4901 3 4 Peter Guntert . . . 4901 3 5 Kurt Wuthrich . . . 4901 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'spectrum analysis' 4901 3 software 4901 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p62_Tfb1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p62_Tfb1 _Assembly.Entry_ID 4901 _Assembly.ID 1 _Assembly.Name 'p62 N-terminal domain' _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 monomer 4901 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 'p62 monomer' 1 $p62_monomer . . . native . . . . . 4901 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'p62 N-terminal domain' system 4901 1 p62/Tfb1 abbreviation 4901 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p62_monomer _Entity.Sf_category entity _Entity.Sf_framecode p62_monomer _Entity.Entry_ID 4901 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human TFIIH p62 subunit' _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 ; GSMATSSEEVLLIVKKVRQK KQDGALYLMAERIAWAPEGK DRFTISHMYADIKCQKISPE GKAKIQLQLVLHAGDTTNFH FSNESTAVKERDAVKDLLQQ LLPKFKRKAN ; _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 12432 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1PFJ . "Solution Structure Of The N-Terminal PhPTB DOMAIN OF THE Tfiih P62 Subunit" . . . . . 98.18 108 100.00 100.00 6.42e-73 . . . . 4901 1 2 no PDB 2RNR . "Solution Structure Of The Complex Between Tfiie Alpha C- Terminal Acidic Domain And Tfiih P62 Ph Domain" . . . . . 100.00 110 100.00 100.00 1.47e-74 . . . . 4901 1 3 no PDB 2RUK . "Solution Structure Of The Complex Between P53 Transactivation Domain 2 And Tfiih P62 Ph Domain" . . . . . 100.00 110 100.00 100.00 1.47e-74 . . . . 4901 1 4 no DBJ BAB15621 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 548 100.00 100.00 4.32e-68 . . . . 4901 1 5 no DBJ BAB23789 . "unnamed protein product [Mus musculus]" . . . . . 98.18 547 100.00 100.00 4.81e-68 . . . . 4901 1 6 no DBJ BAE02479 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.18 537 100.00 100.00 3.31e-68 . . . . 4901 1 7 no DBJ BAG10896 . "TFIIH basal transcription factor complex p62 subunit [synthetic construct]" . . . . . 98.18 548 100.00 100.00 4.51e-68 . . . . 4901 1 8 no DBJ BAG35811 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 548 100.00 100.00 4.85e-68 . . . . 4901 1 9 no EMBL CAA05340 . "62 kDa subunit of TFIIH [Mus musculus]" . . . . . 98.18 547 100.00 100.00 5.01e-68 . . . . 4901 1 10 no EMBL CAG33649 . "GTF2H1 [Homo sapiens]" . . . . . 98.18 548 100.00 100.00 4.51e-68 . . . . 4901 1 11 no GB AAA58399 . "basic transcription factor 62kD subunit [Homo sapiens]" . . . . . 98.18 548 100.00 100.00 4.51e-68 . . . . 4901 1 12 no GB AAB23294 . "basic transcription factor 2 62 kda component, BTF2 p62 subunit=RNA polymerase II initiation factor b homolog [human, HeLa cell" . . . . . 98.18 548 100.00 100.00 4.51e-68 . . . . 4901 1 13 no GB AAH00365 . "General transcription factor IIH, polypeptide 1, 62kDa [Homo sapiens]" . . . . . 98.18 548 100.00 100.00 4.51e-68 . . . . 4901 1 14 no GB AAH04452 . "General transcription factor IIH, polypeptide 1, 62kDa [Homo sapiens]" . . . . . 98.18 548 100.00 100.00 4.51e-68 . . . . 4901 1 15 no GB AAH52837 . "Gtf2h1 protein [Mus musculus]" . . . . . 74.55 521 100.00 100.00 9.98e-50 . . . . 4901 1 16 no REF NP_001039615 . "general transcription factor IIH subunit 1 [Bos taurus]" . . . . . 74.55 522 100.00 100.00 1.11e-49 . . . . 4901 1 17 no REF NP_001101955 . "general transcription factor IIH subunit 1 [Rattus norvegicus]" . . . . . 98.18 516 100.00 100.00 2.61e-68 . . . . 4901 1 18 no REF NP_001135779 . "general transcription factor IIH subunit 1 [Homo sapiens]" . . . . . 98.18 548 100.00 100.00 4.51e-68 . . . . 4901 1 19 no REF NP_001186521 . "general transcription factor IIH subunit 1 [Gallus gallus]" . . . . . 98.18 548 99.07 100.00 1.06e-67 . . . . 4901 1 20 no REF NP_001271594 . "uncharacterized protein LOC101867170 [Macaca fascicularis]" . . . . . 98.18 537 100.00 100.00 3.31e-68 . . . . 4901 1 21 no SP P32780 . "RecName: Full=General transcription factor IIH subunit 1; AltName: Full=Basic transcription factor 2 62 kDa subunit; Short=BTF2" . . . . . 98.18 548 100.00 100.00 4.51e-68 . . . . 4901 1 22 no SP Q9DBA9 . "RecName: Full=General transcription factor IIH subunit 1; AltName: Full=Basic transcription factor 2 62 kDa subunit; Short=BTF2" . . . . . 98.18 547 100.00 100.00 5.01e-68 . . . . 4901 1 23 no TPG DAA13968 . "TPA: general transcription factor IIH, polypeptide 1, 62kDa [Bos taurus]" . . . . . 74.55 522 100.00 100.00 1.11e-49 . . . . 4901 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'human TFIIH p62 subunit' common 4901 1 p62/Tfb1 abbreviation 4901 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 . 4901 1 2 . SER . 4901 1 3 . MET . 4901 1 4 . ALA . 4901 1 5 . THR . 4901 1 6 . SER . 4901 1 7 . SER . 4901 1 8 . GLU . 4901 1 9 . GLU . 4901 1 10 . VAL . 4901 1 11 . LEU . 4901 1 12 . LEU . 4901 1 13 . ILE . 4901 1 14 . VAL . 4901 1 15 . LYS . 4901 1 16 . LYS . 4901 1 17 . VAL . 4901 1 18 . ARG . 4901 1 19 . GLN . 4901 1 20 . LYS . 4901 1 21 . LYS . 4901 1 22 . GLN . 4901 1 23 . ASP . 4901 1 24 . GLY . 4901 1 25 . ALA . 4901 1 26 . LEU . 4901 1 27 . TYR . 4901 1 28 . LEU . 4901 1 29 . MET . 4901 1 30 . ALA . 4901 1 31 . GLU . 4901 1 32 . ARG . 4901 1 33 . ILE . 4901 1 34 . ALA . 4901 1 35 . TRP . 4901 1 36 . ALA . 4901 1 37 . PRO . 4901 1 38 . GLU . 4901 1 39 . GLY . 4901 1 40 . LYS . 4901 1 41 . ASP . 4901 1 42 . ARG . 4901 1 43 . PHE . 4901 1 44 . THR . 4901 1 45 . ILE . 4901 1 46 . SER . 4901 1 47 . HIS . 4901 1 48 . MET . 4901 1 49 . TYR . 4901 1 50 . ALA . 4901 1 51 . ASP . 4901 1 52 . ILE . 4901 1 53 . LYS . 4901 1 54 . CYS . 4901 1 55 . GLN . 4901 1 56 . LYS . 4901 1 57 . ILE . 4901 1 58 . SER . 4901 1 59 . PRO . 4901 1 60 . GLU . 4901 1 61 . GLY . 4901 1 62 . LYS . 4901 1 63 . ALA . 4901 1 64 . LYS . 4901 1 65 . ILE . 4901 1 66 . GLN . 4901 1 67 . LEU . 4901 1 68 . GLN . 4901 1 69 . LEU . 4901 1 70 . VAL . 4901 1 71 . LEU . 4901 1 72 . HIS . 4901 1 73 . ALA . 4901 1 74 . GLY . 4901 1 75 . ASP . 4901 1 76 . THR . 4901 1 77 . THR . 4901 1 78 . ASN . 4901 1 79 . PHE . 4901 1 80 . HIS . 4901 1 81 . PHE . 4901 1 82 . SER . 4901 1 83 . ASN . 4901 1 84 . GLU . 4901 1 85 . SER . 4901 1 86 . THR . 4901 1 87 . ALA . 4901 1 88 . VAL . 4901 1 89 . LYS . 4901 1 90 . GLU . 4901 1 91 . ARG . 4901 1 92 . ASP . 4901 1 93 . ALA . 4901 1 94 . VAL . 4901 1 95 . LYS . 4901 1 96 . ASP . 4901 1 97 . LEU . 4901 1 98 . LEU . 4901 1 99 . GLN . 4901 1 100 . GLN . 4901 1 101 . LEU . 4901 1 102 . LEU . 4901 1 103 . PRO . 4901 1 104 . LYS . 4901 1 105 . PHE . 4901 1 106 . LYS . 4901 1 107 . ARG . 4901 1 108 . LYS . 4901 1 109 . ALA . 4901 1 110 . ASN . 4901 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 4901 1 . SER 2 2 4901 1 . MET 3 3 4901 1 . ALA 4 4 4901 1 . THR 5 5 4901 1 . SER 6 6 4901 1 . SER 7 7 4901 1 . GLU 8 8 4901 1 . GLU 9 9 4901 1 . VAL 10 10 4901 1 . LEU 11 11 4901 1 . LEU 12 12 4901 1 . ILE 13 13 4901 1 . VAL 14 14 4901 1 . LYS 15 15 4901 1 . LYS 16 16 4901 1 . VAL 17 17 4901 1 . ARG 18 18 4901 1 . GLN 19 19 4901 1 . LYS 20 20 4901 1 . LYS 21 21 4901 1 . GLN 22 22 4901 1 . ASP 23 23 4901 1 . GLY 24 24 4901 1 . ALA 25 25 4901 1 . LEU 26 26 4901 1 . TYR 27 27 4901 1 . LEU 28 28 4901 1 . MET 29 29 4901 1 . ALA 30 30 4901 1 . GLU 31 31 4901 1 . ARG 32 32 4901 1 . ILE 33 33 4901 1 . ALA 34 34 4901 1 . TRP 35 35 4901 1 . ALA 36 36 4901 1 . PRO 37 37 4901 1 . GLU 38 38 4901 1 . GLY 39 39 4901 1 . LYS 40 40 4901 1 . ASP 41 41 4901 1 . ARG 42 42 4901 1 . PHE 43 43 4901 1 . THR 44 44 4901 1 . ILE 45 45 4901 1 . SER 46 46 4901 1 . HIS 47 47 4901 1 . MET 48 48 4901 1 . TYR 49 49 4901 1 . ALA 50 50 4901 1 . ASP 51 51 4901 1 . ILE 52 52 4901 1 . LYS 53 53 4901 1 . CYS 54 54 4901 1 . GLN 55 55 4901 1 . LYS 56 56 4901 1 . ILE 57 57 4901 1 . SER 58 58 4901 1 . PRO 59 59 4901 1 . GLU 60 60 4901 1 . GLY 61 61 4901 1 . LYS 62 62 4901 1 . ALA 63 63 4901 1 . LYS 64 64 4901 1 . ILE 65 65 4901 1 . GLN 66 66 4901 1 . LEU 67 67 4901 1 . GLN 68 68 4901 1 . LEU 69 69 4901 1 . VAL 70 70 4901 1 . LEU 71 71 4901 1 . HIS 72 72 4901 1 . ALA 73 73 4901 1 . GLY 74 74 4901 1 . ASP 75 75 4901 1 . THR 76 76 4901 1 . THR 77 77 4901 1 . ASN 78 78 4901 1 . PHE 79 79 4901 1 . HIS 80 80 4901 1 . PHE 81 81 4901 1 . SER 82 82 4901 1 . ASN 83 83 4901 1 . GLU 84 84 4901 1 . SER 85 85 4901 1 . THR 86 86 4901 1 . ALA 87 87 4901 1 . VAL 88 88 4901 1 . LYS 89 89 4901 1 . GLU 90 90 4901 1 . ARG 91 91 4901 1 . ASP 92 92 4901 1 . ALA 93 93 4901 1 . VAL 94 94 4901 1 . LYS 95 95 4901 1 . ASP 96 96 4901 1 . LEU 97 97 4901 1 . LEU 98 98 4901 1 . GLN 99 99 4901 1 . GLN 100 100 4901 1 . LEU 101 101 4901 1 . LEU 102 102 4901 1 . PRO 103 103 4901 1 . LYS 104 104 4901 1 . PHE 105 105 4901 1 . LYS 106 106 4901 1 . ARG 107 107 4901 1 . LYS 108 108 4901 1 . ALA 109 109 4901 1 . ASN 110 110 4901 1 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 4901 _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 $p62_monomer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . pGEX-4T2 . 'BTF2 p62' . . . . 4901 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 4901 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p62_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4901 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4901 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The isotope labeling is over 98%.' _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 'human TFIIH p62 subunit' '[13C; U-98% 15N]' . . 1 $p62_monomer . . 1.5 . . mM . . . . 4901 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4901 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human TFIIH p62 subunit' . . . 1 $p62_monomer . . 2.4 . . mM . . . . 4901 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4901 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.1 n/a 4901 1 temperature 293 0.1 K 4901 1 pressure 1 . atm 4901 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4901 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details 'Molecular Simulations Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing' 4901 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4901 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.10 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra assignment' 4901 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $reference_2 4901 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4901 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4901 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4901 _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_1 Bruker DRX . 600 . . . 4901 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 4901 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 4901 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '15N HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 2 HNCA . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 5 HNCACB . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 6 15N-TOCSY-HSQC . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 7 15N-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 9 C(CO)NH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 10 H(CCO)NH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 11 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 12 '2D NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 1 13 '2D TOCSY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4901 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 4901 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4901 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4901 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4901 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 15N-TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4901 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 4901 _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 . . . . . . . . . . 4901 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4901 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4901 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 4901 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . _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 . 4901 1 . . 2 $sample_2 . 4901 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 4 4 ALA H H 1 8.38 0.02 . 1 . . . . . . . . 4901 1 2 . 1 1 4 4 ALA HA H 1 4.48 0.02 . 1 . . . . . . . . 4901 1 3 . 1 1 4 4 ALA HB1 H 1 1.60 0.02 . 1 . . . . . . . . 4901 1 4 . 1 1 4 4 ALA HB2 H 1 1.60 0.02 . 1 . . . . . . . . 4901 1 5 . 1 1 4 4 ALA HB3 H 1 1.60 0.02 . 1 . . . . . . . . 4901 1 6 . 1 1 4 4 ALA CA C 13 52.77 0.25 . 1 . . . . . . . . 4901 1 7 . 1 1 4 4 ALA CB C 13 19.75 0.25 . 1 . . . . . . . . 4901 1 8 . 1 1 4 4 ALA N N 15 124.60 0.1 . 1 . . . . . . . . 4901 1 9 . 1 1 5 5 THR H H 1 8.31 0.02 . 1 . . . . . . . . 4901 1 10 . 1 1 5 5 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 4901 1 11 . 1 1 5 5 THR HB H 1 3.65 0.02 . 1 . . . . . . . . 4901 1 12 . 1 1 5 5 THR HG21 H 1 1.39 0.02 . 1 . . . . . . . . 4901 1 13 . 1 1 5 5 THR HG22 H 1 1.39 0.02 . 1 . . . . . . . . 4901 1 14 . 1 1 5 5 THR HG23 H 1 1.39 0.02 . 1 . . . . . . . . 4901 1 15 . 1 1 5 5 THR CA C 13 63.23 0.25 . 1 . . . . . . . . 4901 1 16 . 1 1 5 5 THR CB C 13 68.88 0.25 . 1 . . . . . . . . 4901 1 17 . 1 1 5 5 THR CG2 C 13 20.90 0.25 . 1 . . . . . . . . 4901 1 18 . 1 1 5 5 THR N N 15 112.3 0.1 . 1 . . . . . . . . 4901 1 19 . 1 1 6 6 SER H H 1 8.84 0.02 . 1 . . . . . . . . 4901 1 20 . 1 1 6 6 SER HA H 1 5.09 0.02 . 1 . . . . . . . . 4901 1 21 . 1 1 6 6 SER HB2 H 1 2.65 0.02 . 1 . . . . . . . . 4901 1 22 . 1 1 6 6 SER HB3 H 1 2.11 0.02 . 1 . . . . . . . . 4901 1 23 . 1 1 6 6 SER CA C 13 62.67 0.25 . 1 . . . . . . . . 4901 1 24 . 1 1 6 6 SER CB C 13 70.84 0.25 . 1 . . . . . . . . 4901 1 25 . 1 1 6 6 SER N N 15 125.9 0.1 . 1 . . . . . . . . 4901 1 26 . 1 1 7 7 SER H H 1 8.41 0.02 . 1 . . . . . . . . 4901 1 27 . 1 1 7 7 SER HA H 1 4.53 0.02 . 1 . . . . . . . . 4901 1 28 . 1 1 7 7 SER HB2 H 1 4.01 0.02 . 1 . . . . . . . . 4901 1 29 . 1 1 7 7 SER HB3 H 1 4.01 0.02 . 1 . . . . . . . . 4901 1 30 . 1 1 7 7 SER CA C 13 58.26 0.25 . 1 . . . . . . . . 4901 1 31 . 1 1 7 7 SER CB C 13 63.23 0.25 . 1 . . . . . . . . 4901 1 32 . 1 1 7 7 SER N N 15 116.60 0.1 . 1 . . . . . . . . 4901 1 33 . 1 1 8 8 GLU H H 1 8.15 0.02 . 1 . . . . . . . . 4901 1 34 . 1 1 8 8 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 4901 1 35 . 1 1 8 8 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4901 1 36 . 1 1 8 8 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4901 1 37 . 1 1 8 8 GLU HG2 H 1 2.37 0.02 . 1 . . . . . . . . 4901 1 38 . 1 1 8 8 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4901 1 39 . 1 1 8 8 GLU CA C 13 56.40 0.25 . 1 . . . . . . . . 4901 1 40 . 1 1 8 8 GLU CB C 13 30.31 0.25 . 1 . . . . . . . . 4901 1 41 . 1 1 8 8 GLU CG C 13 32.17 0.25 . 1 . . . . . . . . 4901 1 42 . 1 1 8 8 GLU N N 15 123.78 0.1 . 1 . . . . . . . . 4901 1 43 . 1 1 9 9 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 4901 1 44 . 1 1 9 9 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 4901 1 45 . 1 1 9 9 GLU HB2 H 1 2.00 0.02 . 1 . . . . . . . . 4901 1 46 . 1 1 9 9 GLU HB3 H 1 2.13 0.02 . 1 . . . . . . . . 4901 1 47 . 1 1 9 9 GLU HG2 H 1 2.37 0.02 . 1 . . . . . . . . 4901 1 48 . 1 1 9 9 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4901 1 49 . 1 1 9 9 GLU CA C 13 57.02 0.25 . 1 . . . . . . . . 4901 1 50 . 1 1 9 9 GLU CB C 13 29.69 0.25 . 1 . . . . . . . . 4901 1 51 . 1 1 9 9 GLU CG C 13 35.28 0.25 . 1 . . . . . . . . 4901 1 52 . 1 1 9 9 GLU N N 15 126.09 0.1 . 1 . . . . . . . . 4901 1 53 . 1 1 10 10 VAL H H 1 8.63 0.02 . 1 . . . . . . . . 4901 1 54 . 1 1 10 10 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 4901 1 55 . 1 1 10 10 VAL HB H 1 2.18 0.02 . 1 . . . . . . . . 4901 1 56 . 1 1 10 10 VAL HG11 H 1 1.20 0.02 . 1 . . . . . . . . 4901 1 57 . 1 1 10 10 VAL HG12 H 1 1.20 0.02 . 1 . . . . . . . . 4901 1 58 . 1 1 10 10 VAL HG13 H 1 1.20 0.02 . 1 . . . . . . . . 4901 1 59 . 1 1 10 10 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . 4901 1 60 . 1 1 10 10 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . 4901 1 61 . 1 1 10 10 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . 4901 1 62 . 1 1 10 10 VAL CA C 13 61.99 0.25 . 1 . . . . . . . . 4901 1 63 . 1 1 10 10 VAL CB C 13 33.41 0.25 . 1 . . . . . . . . 4901 1 64 . 1 1 10 10 VAL CG1 C 13 20.99 0.25 . 1 . . . . . . . . 4901 1 65 . 1 1 10 10 VAL CG2 C 13 21.61 0.25 . 1 . . . . . . . . 4901 1 66 . 1 1 10 10 VAL N N 15 124.96 0.1 . 1 . . . . . . . . 4901 1 67 . 1 1 11 11 LEU H H 1 9.69 0.02 . 1 . . . . . . . . 4901 1 68 . 1 1 11 11 LEU HA H 1 4.47 0.02 . 1 . . . . . . . . 4901 1 69 . 1 1 11 11 LEU HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4901 1 70 . 1 1 11 11 LEU HB3 H 1 1.57 0.02 . 1 . . . . . . . . 4901 1 71 . 1 1 11 11 LEU HG H 1 1.19 0.02 . 1 . . . . . . . . 4901 1 72 . 1 1 11 11 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4901 1 73 . 1 1 11 11 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4901 1 74 . 1 1 11 11 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4901 1 75 . 1 1 11 11 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 4901 1 76 . 1 1 11 11 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 4901 1 77 . 1 1 11 11 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 4901 1 78 . 1 1 11 11 LEU CA C 13 55.16 0.25 . 1 . . . . . . . . 4901 1 79 . 1 1 11 11 LEU CB C 13 42.11 0.25 . 1 . . . . . . . . 4901 1 80 . 1 1 11 11 LEU CG C 13 27.82 0.25 . 1 . . . . . . . . 4901 1 81 . 1 1 11 11 LEU CD1 C 13 26.58 0.25 . 1 . . . . . . . . 4901 1 82 . 1 1 11 11 LEU CD2 C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 83 . 1 1 11 11 LEU N N 15 127.63 0.1 . 1 . . . . . . . . 4901 1 84 . 1 1 12 12 LEU H H 1 7.82 0.02 . 1 . . . . . . . . 4901 1 85 . 1 1 12 12 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 4901 1 86 . 1 1 12 12 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4901 1 87 . 1 1 12 12 LEU HB3 H 1 1.54 0.02 . 1 . . . . . . . . 4901 1 88 . 1 1 12 12 LEU HG H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 89 . 1 1 12 12 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 4901 1 90 . 1 1 12 12 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 4901 1 91 . 1 1 12 12 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 4901 1 92 . 1 1 12 12 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 4901 1 93 . 1 1 12 12 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 4901 1 94 . 1 1 12 12 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 4901 1 95 . 1 1 12 12 LEU CA C 13 55.98 0.25 . 1 . . . . . . . . 4901 1 96 . 1 1 12 12 LEU CB C 13 45.84 0.25 . 1 . . . . . . . . 4901 1 97 . 1 1 12 12 LEU CG C 13 26.58 0.25 . 1 . . . . . . . . 4901 1 98 . 1 1 12 12 LEU CD1 C 13 24.96 0.25 . 1 . . . . . . . . 4901 1 99 . 1 1 12 12 LEU CD2 C 13 25.34 0.25 . 1 . . . . . . . . 4901 1 100 . 1 1 12 12 LEU N N 15 119.03 0.1 . 1 . . . . . . . . 4901 1 101 . 1 1 13 13 ILE H H 1 8.21 0.02 . 1 . . . . . . . . 4901 1 102 . 1 1 13 13 ILE HA H 1 4.84 0.02 . 1 . . . . . . . . 4901 1 103 . 1 1 13 13 ILE HB H 1 1.35 0.02 . 1 . . . . . . . . 4901 1 104 . 1 1 13 13 ILE HG12 H 1 0.80 0.02 . 1 . . . . . . . . 4901 1 105 . 1 1 13 13 ILE HG13 H 1 0.80 0.02 . 1 . . . . . . . . 4901 1 106 . 1 1 13 13 ILE HG21 H 1 0.28 0.02 . 1 . . . . . . . . 4901 1 107 . 1 1 13 13 ILE HG22 H 1 0.28 0.02 . 1 . . . . . . . . 4901 1 108 . 1 1 13 13 ILE HG23 H 1 0.28 0.02 . 1 . . . . . . . . 4901 1 109 . 1 1 13 13 ILE HD11 H 1 0.27 0.02 . 1 . . . . . . . . 4901 1 110 . 1 1 13 13 ILE HD12 H 1 0.27 0.02 . 1 . . . . . . . . 4901 1 111 . 1 1 13 13 ILE HD13 H 1 0.27 0.02 . 1 . . . . . . . . 4901 1 112 . 1 1 13 13 ILE CA C 13 60.13 0.25 . 1 . . . . . . . . 4901 1 113 . 1 1 13 13 ILE CB C 13 40.87 0.25 . 1 . . . . . . . . 4901 1 114 . 1 1 13 13 ILE CG1 C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 115 . 1 1 13 13 ILE CG2 C 13 16.02 0.25 . 1 . . . . . . . . 4901 1 116 . 1 1 13 13 ILE CD1 C 13 14.15 0.25 . 1 . . . . . . . . 4901 1 117 . 1 1 13 13 ILE N N 15 124.89 0.1 . 1 . . . . . . . . 4901 1 118 . 1 1 14 14 VAL H H 1 9.40 0.02 . 1 . . . . . . . . 4901 1 119 . 1 1 14 14 VAL HA H 1 4.37 0.02 . 1 . . . . . . . . 4901 1 120 . 1 1 14 14 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 4901 1 121 . 1 1 14 14 VAL HG11 H 1 1.21 0.02 . 1 . . . . . . . . 4901 1 122 . 1 1 14 14 VAL HG12 H 1 1.21 0.02 . 1 . . . . . . . . 4901 1 123 . 1 1 14 14 VAL HG13 H 1 1.21 0.02 . 1 . . . . . . . . 4901 1 124 . 1 1 14 14 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4901 1 125 . 1 1 14 14 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4901 1 126 . 1 1 14 14 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4901 1 127 . 1 1 14 14 VAL CA C 13 61.37 0.25 . 1 . . . . . . . . 4901 1 128 . 1 1 14 14 VAL CB C 13 34.03 0.25 . 1 . . . . . . . . 4901 1 129 . 1 1 14 14 VAL CG1 C 13 21.61 0.25 . 1 . . . . . . . . 4901 1 130 . 1 1 14 14 VAL CG2 C 13 20.37 0.25 . 1 . . . . . . . . 4901 1 131 . 1 1 14 14 VAL N N 15 127.82 0.1 . 1 . . . . . . . . 4901 1 132 . 1 1 15 15 LYS H H 1 8.77 0.02 . 1 . . . . . . . . 4901 1 133 . 1 1 15 15 LYS HA H 1 4.49 0.02 . 1 . . . . . . . . 4901 1 134 . 1 1 15 15 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4901 1 135 . 1 1 15 15 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4901 1 136 . 1 1 15 15 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 4901 1 137 . 1 1 15 15 LYS HG3 H 1 1.52 0.02 . 1 . . . . . . . . 4901 1 138 . 1 1 15 15 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4901 1 139 . 1 1 15 15 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4901 1 140 . 1 1 15 15 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 4901 1 141 . 1 1 15 15 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 4901 1 142 . 1 1 15 15 LYS CA C 13 56.40 0.25 . 1 . . . . . . . . 4901 1 143 . 1 1 15 15 LYS CB C 13 33.41 0.25 . 1 . . . . . . . . 4901 1 144 . 1 1 15 15 LYS CG C 13 24.72 0.25 . 1 . . . . . . . . 4901 1 145 . 1 1 15 15 LYS CD C 13 28.44 0.25 . 1 . . . . . . . . 4901 1 146 . 1 1 15 15 LYS CE C 13 40.87 0.25 . 1 . . . . . . . . 4901 1 147 . 1 1 15 15 LYS N N 15 124.93 0.1 . 1 . . . . . . . . 4901 1 148 . 1 1 16 16 LYS H H 1 8.82 0.02 . 1 . . . . . . . . 4901 1 149 . 1 1 16 16 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4901 1 150 . 1 1 16 16 LYS HB2 H 1 2.18 0.02 . 1 . . . . . . . . 4901 1 151 . 1 1 16 16 LYS HB3 H 1 2.09 0.02 . 1 . . . . . . . . 4901 1 152 . 1 1 16 16 LYS HG2 H 1 1.89 0.02 . 1 . . . . . . . . 4901 1 153 . 1 1 16 16 LYS HG3 H 1 1.89 0.02 . 1 . . . . . . . . 4901 1 154 . 1 1 16 16 LYS HD2 H 1 1.97 0.02 . 1 . . . . . . . . 4901 1 155 . 1 1 16 16 LYS HD3 H 1 1.97 0.02 . 1 . . . . . . . . 4901 1 156 . 1 1 16 16 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 4901 1 157 . 1 1 16 16 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 4901 1 158 . 1 1 16 16 LYS CA C 13 57.64 0.25 . 1 . . . . . . . . 4901 1 159 . 1 1 16 16 LYS CB C 13 28.44 0.25 . 1 . . . . . . . . 4901 1 160 . 1 1 16 16 LYS CG C 13 25.34 0.25 . 1 . . . . . . . . 4901 1 161 . 1 1 16 16 LYS CD C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 162 . 1 1 16 16 LYS CE C 13 41.70 0.25 . 1 . . . . . . . . 4901 1 163 . 1 1 16 16 LYS N N 15 115.79 0.1 . 1 . . . . . . . . 4901 1 164 . 1 1 17 17 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 4901 1 165 . 1 1 17 17 VAL HA H 1 4.66 0.02 . 1 . . . . . . . . 4901 1 166 . 1 1 17 17 VAL HB H 1 1.68 0.02 . 1 . . . . . . . . 4901 1 167 . 1 1 17 17 VAL HG11 H 1 0.52 0.02 . 1 . . . . . . . . 4901 1 168 . 1 1 17 17 VAL HG12 H 1 0.52 0.02 . 1 . . . . . . . . 4901 1 169 . 1 1 17 17 VAL HG13 H 1 0.52 0.02 . 1 . . . . . . . . 4901 1 170 . 1 1 17 17 VAL HG21 H 1 0.52 0.02 . 1 . . . . . . . . 4901 1 171 . 1 1 17 17 VAL HG22 H 1 0.52 0.02 . 1 . . . . . . . . 4901 1 172 . 1 1 17 17 VAL HG23 H 1 0.52 0.02 . 1 . . . . . . . . 4901 1 173 . 1 1 17 17 VAL CA C 13 61.37 0.25 . 1 . . . . . . . . 4901 1 174 . 1 1 17 17 VAL CB C 13 32.80 0.25 . 1 . . . . . . . . 4901 1 175 . 1 1 17 17 VAL CG1 C 13 22.23 0.25 . 1 . . . . . . . . 4901 1 176 . 1 1 17 17 VAL N N 15 121.18 0.1 . 1 . . . . . . . . 4901 1 177 . 1 1 18 18 ARG H H 1 10.06 0.02 . 1 . . . . . . . . 4901 1 178 . 1 1 18 18 ARG HA H 1 5.74 0.02 . 1 . . . . . . . . 4901 1 179 . 1 1 18 18 ARG HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4901 1 180 . 1 1 18 18 ARG HB3 H 1 1.63 0.02 . 2 . . . . . . . . 4901 1 181 . 1 1 18 18 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 4901 1 182 . 1 1 18 18 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 4901 1 183 . 1 1 18 18 ARG HD2 H 1 3.08 0.02 . 1 . . . . . . . . 4901 1 184 . 1 1 18 18 ARG HD3 H 1 3.08 0.02 . 1 . . . . . . . . 4901 1 185 . 1 1 18 18 ARG CA C 13 55.86 0.25 . 1 . . . . . . . . 4901 1 186 . 1 1 18 18 ARG CB C 13 32.79 0.25 . 1 . . . . . . . . 4901 1 187 . 1 1 18 18 ARG CG C 13 27.82 0.25 . 1 . . . . . . . . 4901 1 188 . 1 1 18 18 ARG CD C 13 41.49 0.25 . 1 . . . . . . . . 4901 1 189 . 1 1 18 18 ARG N N 15 129.76 0.1 . 1 . . . . . . . . 4901 1 190 . 1 1 19 19 GLN H H 1 8.33 0.02 . 1 . . . . . . . . 4901 1 191 . 1 1 19 19 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 4901 1 192 . 1 1 19 19 GLN HB2 H 1 0.63 0.02 . 1 . . . . . . . . 4901 1 193 . 1 1 19 19 GLN HB3 H 1 0.38 0.02 . 1 . . . . . . . . 4901 1 194 . 1 1 19 19 GLN HG2 H 1 1.69 0.02 . 1 . . . . . . . . 4901 1 195 . 1 1 19 19 GLN HG3 H 1 1.69 0.02 . 1 . . . . . . . . 4901 1 196 . 1 1 19 19 GLN HE21 H 1 6.88 0.02 . 1 . . . . . . . . 4901 1 197 . 1 1 19 19 GLN HE22 H 1 5.67 0.02 . 1 . . . . . . . . 4901 1 198 . 1 1 19 19 GLN CA C 13 55.78 0.25 . 1 . . . . . . . . 4901 1 199 . 1 1 19 19 GLN CB C 13 28.44 0.25 . 1 . . . . . . . . 4901 1 200 . 1 1 19 19 GLN CG C 13 29.69 0.25 . 1 . . . . . . . . 4901 1 201 . 1 1 19 19 GLN N N 15 122.72 0.1 . 1 . . . . . . . . 4901 1 202 . 1 1 19 19 GLN NE2 N 15 109.72 0.1 . 1 . . . . . . . . 4901 1 203 . 1 1 20 20 LYS H H 1 9.54 0.02 . 1 . . . . . . . . 4901 1 204 . 1 1 20 20 LYS HA H 1 3.83 0.02 . 1 . . . . . . . . 4901 1 205 . 1 1 20 20 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4901 1 206 . 1 1 20 20 LYS HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4901 1 207 . 1 1 20 20 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 4901 1 208 . 1 1 20 20 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 4901 1 209 . 1 1 20 20 LYS HD2 H 1 1.43 0.02 . 1 . . . . . . . . 4901 1 210 . 1 1 20 20 LYS HD3 H 1 1.43 0.02 . 1 . . . . . . . . 4901 1 211 . 1 1 20 20 LYS HE2 H 1 3.09 0.02 . 1 . . . . . . . . 4901 1 212 . 1 1 20 20 LYS HE3 H 1 3.09 0.02 . 1 . . . . . . . . 4901 1 213 . 1 1 20 20 LYS CA C 13 58.26 0.25 . 1 . . . . . . . . 4901 1 214 . 1 1 20 20 LYS CB C 13 27.82 0.25 . 1 . . . . . . . . 4901 1 215 . 1 1 20 20 LYS CG C 13 23.47 0.25 . 1 . . . . . . . . 4901 1 216 . 1 1 20 20 LYS CD C 13 30.21 0.25 . 1 . . . . . . . . 4901 1 217 . 1 1 20 20 LYS CE C 13 38.38 0.25 . 1 . . . . . . . . 4901 1 218 . 1 1 20 20 LYS N N 15 126.29 0.1 . 1 . . . . . . . . 4901 1 219 . 1 1 21 21 LYS H H 1 8.87 0.02 . 1 . . . . . . . . 4901 1 220 . 1 1 21 21 LYS HA H 1 3.83 0.02 . 1 . . . . . . . . 4901 1 221 . 1 1 21 21 LYS HB2 H 1 2.11 0.02 . 1 . . . . . . . . 4901 1 222 . 1 1 21 21 LYS HB3 H 1 2.11 0.02 . 1 . . . . . . . . 4901 1 223 . 1 1 21 21 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 4901 1 224 . 1 1 21 21 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 4901 1 225 . 1 1 21 21 LYS HD2 H 1 1.77 0.02 . 1 . . . . . . . . 4901 1 226 . 1 1 21 21 LYS HD3 H 1 1.77 0.02 . 1 . . . . . . . . 4901 1 227 . 1 1 21 21 LYS CA C 13 58.26 0.25 . 1 . . . . . . . . 4901 1 228 . 1 1 21 21 LYS CB C 13 31.21 0.25 . 1 . . . . . . . . 4901 1 229 . 1 1 21 21 LYS CG C 13 28.44 0.25 . 1 . . . . . . . . 4901 1 230 . 1 1 21 21 LYS CD C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 231 . 1 1 21 21 LYS N N 15 111.06 0.1 . 1 . . . . . . . . 4901 1 232 . 1 1 22 22 GLN H H 1 7.87 0.02 . 1 . . . . . . . . 4901 1 233 . 1 1 22 22 GLN HA H 1 4.85 0.02 . 1 . . . . . . . . 4901 1 234 . 1 1 22 22 GLN HB2 H 1 2.53 0.02 . 1 . . . . . . . . 4901 1 235 . 1 1 22 22 GLN HB3 H 1 2.49 0.02 . 1 . . . . . . . . 4901 1 236 . 1 1 22 22 GLN HG2 H 1 2.72 0.02 . 1 . . . . . . . . 4901 1 237 . 1 1 22 22 GLN HG3 H 1 2.68 0.02 . 1 . . . . . . . . 4901 1 238 . 1 1 22 22 GLN HE21 H 1 7.78 0.02 . 1 . . . . . . . . 4901 1 239 . 1 1 22 22 GLN HE22 H 1 7.10 0.02 . 1 . . . . . . . . 4901 1 240 . 1 1 22 22 GLN CA C 13 54.54 0.25 . 1 . . . . . . . . 4901 1 241 . 1 1 22 22 GLN CB C 13 30.93 0.25 . 1 . . . . . . . . 4901 1 242 . 1 1 22 22 GLN CG C 13 34.03 0.25 . 1 . . . . . . . . 4901 1 243 . 1 1 22 22 GLN N N 15 118.97 0.1 . 1 . . . . . . . . 4901 1 244 . 1 1 22 22 GLN NE2 N 15 112.03 0.1 . 1 . . . . . . . . 4901 1 245 . 1 1 23 23 ASP H H 1 8.97 0.02 . 1 . . . . . . . . 4901 1 246 . 1 1 23 23 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 4901 1 247 . 1 1 23 23 ASP HB2 H 1 2.73 0.02 . 1 . . . . . . . . 4901 1 248 . 1 1 23 23 ASP HB3 H 1 2.61 0.02 . 1 . . . . . . . . 4901 1 249 . 1 1 23 23 ASP CA C 13 55.78 0.25 . 1 . . . . . . . . 4901 1 250 . 1 1 23 23 ASP CB C 13 42.11 0.25 . 1 . . . . . . . . 4901 1 251 . 1 1 23 23 ASP N N 15 123.11 0.1 . 1 . . . . . . . . 4901 1 252 . 1 1 24 24 GLY H H 1 7.96 0.02 . 1 . . . . . . . . 4901 1 253 . 1 1 24 24 GLY HA2 H 1 4.16 0.02 . 1 . . . . . . . . 4901 1 254 . 1 1 24 24 GLY HA3 H 1 4.03 0.02 . 1 . . . . . . . . 4901 1 255 . 1 1 24 24 GLY CA C 13 45.22 0.25 . 1 . . . . . . . . 4901 1 256 . 1 1 24 24 GLY N N 15 111.74 0.1 . 1 . . . . . . . . 4901 1 257 . 1 1 25 25 ALA H H 1 7.91 0.02 . 1 . . . . . . . . 4901 1 258 . 1 1 25 25 ALA HA H 1 5.22 0.02 . 1 . . . . . . . . 4901 1 259 . 1 1 25 25 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 4901 1 260 . 1 1 25 25 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 4901 1 261 . 1 1 25 25 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4901 1 262 . 1 1 25 25 ALA CA C 13 50.19 0.25 . 1 . . . . . . . . 4901 1 263 . 1 1 25 25 ALA CB C 13 20.99 0.25 . 1 . . . . . . . . 4901 1 264 . 1 1 25 25 ALA N N 15 121.08 0.1 . 1 . . . . . . . . 4901 1 265 . 1 1 26 26 LEU H H 1 9.19 0.02 . 1 . . . . . . . . 4901 1 266 . 1 1 26 26 LEU HA H 1 5.02 0.02 . 1 . . . . . . . . 4901 1 267 . 1 1 26 26 LEU HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4901 1 268 . 1 1 26 26 LEU HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4901 1 269 . 1 1 26 26 LEU HG H 1 0.97 0.02 . 1 . . . . . . . . 4901 1 270 . 1 1 26 26 LEU HD11 H 1 0.59 0.02 . 1 . . . . . . . . 4901 1 271 . 1 1 26 26 LEU HD12 H 1 0.59 0.02 . 1 . . . . . . . . 4901 1 272 . 1 1 26 26 LEU HD13 H 1 0.59 0.02 . 1 . . . . . . . . 4901 1 273 . 1 1 26 26 LEU HD21 H 1 0.25 0.02 . 1 . . . . . . . . 4901 1 274 . 1 1 26 26 LEU HD22 H 1 0.25 0.02 . 1 . . . . . . . . 4901 1 275 . 1 1 26 26 LEU HD23 H 1 0.25 0.02 . 1 . . . . . . . . 4901 1 276 . 1 1 26 26 LEU CA C 13 53.29 0.25 . 1 . . . . . . . . 4901 1 277 . 1 1 26 26 LEU CB C 13 42.73 0.25 . 1 . . . . . . . . 4901 1 278 . 1 1 26 26 LEU CG C 13 25.95 0.25 . 1 . . . . . . . . 4901 1 279 . 1 1 26 26 LEU CD1 C 13 26.58 0.25 . 1 . . . . . . . . 4901 1 280 . 1 1 26 26 LEU CD2 C 13 22.85 0.25 . 1 . . . . . . . . 4901 1 281 . 1 1 26 26 LEU N N 15 123.71 0.1 . 1 . . . . . . . . 4901 1 282 . 1 1 27 27 TYR H H 1 9.72 0.02 . 1 . . . . . . . . 4901 1 283 . 1 1 27 27 TYR HA H 1 5.08 0.02 . 1 . . . . . . . . 4901 1 284 . 1 1 27 27 TYR HB2 H 1 2.84 0.02 . 1 . . . . . . . . 4901 1 285 . 1 1 27 27 TYR HB3 H 1 2.78 0.02 . 1 . . . . . . . . 4901 1 286 . 1 1 27 27 TYR HD1 H 1 7.20 0.02 . 1 . . . . . . . . 4901 1 287 . 1 1 27 27 TYR HD2 H 1 7.20 0.02 . 1 . . . . . . . . 4901 1 288 . 1 1 27 27 TYR HE1 H 1 7.06 0.02 . 1 . . . . . . . . 4901 1 289 . 1 1 27 27 TYR HE2 H 1 7.06 0.02 . 1 . . . . . . . . 4901 1 290 . 1 1 27 27 TYR CA C 13 56.40 0.25 . 1 . . . . . . . . 4901 1 291 . 1 1 27 27 TYR CB C 13 40.87 0.25 . 1 . . . . . . . . 4901 1 292 . 1 1 27 27 TYR N N 15 125.24 0.1 . 1 . . . . . . . . 4901 1 293 . 1 1 28 28 LEU H H 1 9.40 0.02 . 1 . . . . . . . . 4901 1 294 . 1 1 28 28 LEU HA H 1 4.91 0.02 . 1 . . . . . . . . 4901 1 295 . 1 1 28 28 LEU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4901 1 296 . 1 1 28 28 LEU HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4901 1 297 . 1 1 28 28 LEU HG H 1 1.78 0.02 . 1 . . . . . . . . 4901 1 298 . 1 1 28 28 LEU HD11 H 1 1.12 0.02 . 1 . . . . . . . . 4901 1 299 . 1 1 28 28 LEU HD12 H 1 1.12 0.02 . 1 . . . . . . . . 4901 1 300 . 1 1 28 28 LEU HD13 H 1 1.12 0.02 . 1 . . . . . . . . 4901 1 301 . 1 1 28 28 LEU HD21 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 302 . 1 1 28 28 LEU HD22 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 303 . 1 1 28 28 LEU HD23 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 304 . 1 1 28 28 LEU CA C 13 57.02 0.25 . 1 . . . . . . . . 4901 1 305 . 1 1 28 28 LEU CB C 13 40.87 0.25 . 1 . . . . . . . . 4901 1 306 . 1 1 28 28 LEU CG C 13 30.93 0.25 . 1 . . . . . . . . 4901 1 307 . 1 1 28 28 LEU CD1 C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 308 . 1 1 28 28 LEU N N 15 124.36 0.1 . 1 . . . . . . . . 4901 1 309 . 1 1 29 29 MET H H 1 9.02 0.02 . 1 . . . . . . . . 4901 1 310 . 1 1 29 29 MET HA H 1 5.43 0.02 . 1 . . . . . . . . 4901 1 311 . 1 1 29 29 MET HB2 H 1 2.37 0.02 . 1 . . . . . . . . 4901 1 312 . 1 1 29 29 MET HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4901 1 313 . 1 1 29 29 MET HG2 H 1 2.69 0.02 . 1 . . . . . . . . 4901 1 314 . 1 1 29 29 MET HG3 H 1 2.60 0.02 . 1 . . . . . . . . 4901 1 315 . 1 1 29 29 MET CA C 13 53.29 0.25 . 1 . . . . . . . . 4901 1 316 . 1 1 29 29 MET CB C 13 32.79 0.25 . 1 . . . . . . . . 4901 1 317 . 1 1 29 29 MET CG C 13 33.41 0.25 . 1 . . . . . . . . 4901 1 318 . 1 1 29 29 MET N N 15 122.01 0.1 . 1 . . . . . . . . 4901 1 319 . 1 1 30 30 ALA H H 1 8.09 0.02 . 1 . . . . . . . . 4901 1 320 . 1 1 30 30 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 4901 1 321 . 1 1 30 30 ALA HB1 H 1 1.78 0.02 . 1 . . . . . . . . 4901 1 322 . 1 1 30 30 ALA HB2 H 1 1.78 0.02 . 1 . . . . . . . . 4901 1 323 . 1 1 30 30 ALA HB3 H 1 1.78 0.02 . 1 . . . . . . . . 4901 1 324 . 1 1 30 30 ALA CA C 13 56.40 0.25 . 1 . . . . . . . . 4901 1 325 . 1 1 30 30 ALA CB C 13 19.75 0.25 . 1 . . . . . . . . 4901 1 326 . 1 1 30 30 ALA N N 15 120.89 0.1 . 1 . . . . . . . . 4901 1 327 . 1 1 31 31 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 4901 1 328 . 1 1 31 31 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 4901 1 329 . 1 1 31 31 GLU HB2 H 1 2.35 0.02 . 1 . . . . . . . . 4901 1 330 . 1 1 31 31 GLU HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4901 1 331 . 1 1 31 31 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . 4901 1 332 . 1 1 31 31 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 4901 1 333 . 1 1 31 31 GLU CA C 13 55.16 0.25 . 1 . . . . . . . . 4901 1 334 . 1 1 31 31 GLU CB C 13 30.93 0.25 . 1 . . . . . . . . 4901 1 335 . 1 1 31 31 GLU CG C 13 35.28 0.25 . 1 . . . . . . . . 4901 1 336 . 1 1 31 31 GLU N N 15 107.31 0.1 . 1 . . . . . . . . 4901 1 337 . 1 1 32 32 ARG H H 1 6.69 0.02 . 1 . . . . . . . . 4901 1 338 . 1 1 32 32 ARG HA H 1 3.94 0.02 . 1 . . . . . . . . 4901 1 339 . 1 1 32 32 ARG HB2 H 1 1.12 0.02 . 1 . . . . . . . . 4901 1 340 . 1 1 32 32 ARG HB3 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 341 . 1 1 32 32 ARG HG2 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 342 . 1 1 32 32 ARG HG3 H 1 0.85 0.02 . 1 . . . . . . . . 4901 1 343 . 1 1 32 32 ARG HD2 H 1 2.87 0.02 . 1 . . . . . . . . 4901 1 344 . 1 1 32 32 ARG HD3 H 1 2.74 0.02 . 1 . . . . . . . . 4901 1 345 . 1 1 32 32 ARG CA C 13 52.67 0.25 . 1 . . . . . . . . 4901 1 346 . 1 1 32 32 ARG CB C 13 32.79 0.25 . 1 . . . . . . . . 4901 1 347 . 1 1 32 32 ARG CG C 13 25.16 0.25 . 1 . . . . . . . . 4901 1 348 . 1 1 32 32 ARG N N 15 115.56 0.1 . 1 . . . . . . . . 4901 1 349 . 1 1 33 33 ILE H H 1 8.38 0.02 . 1 . . . . . . . . 4901 1 350 . 1 1 33 33 ILE HA H 1 5.27 0.02 . 1 . . . . . . . . 4901 1 351 . 1 1 33 33 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 4901 1 352 . 1 1 33 33 ILE HG12 H 1 1.20 0.02 . 1 . . . . . . . . 4901 1 353 . 1 1 33 33 ILE HG13 H 1 1.20 0.02 . 1 . . . . . . . . 4901 1 354 . 1 1 33 33 ILE HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4901 1 355 . 1 1 33 33 ILE HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4901 1 356 . 1 1 33 33 ILE HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4901 1 357 . 1 1 33 33 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 4901 1 358 . 1 1 33 33 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 4901 1 359 . 1 1 33 33 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 4901 1 360 . 1 1 33 33 ILE CA C 13 57.64 0.25 . 1 . . . . . . . . 4901 1 361 . 1 1 33 33 ILE CB C 13 40.87 0.25 . 1 . . . . . . . . 4901 1 362 . 1 1 33 33 ILE CG1 C 13 22.23 0.25 . 1 . . . . . . . . 4901 1 363 . 1 1 33 33 ILE CG2 C 13 15.70 0.25 . 1 . . . . . . . . 4901 1 364 . 1 1 33 33 ILE CD1 C 13 11.67 0.25 . 1 . . . . . . . . 4901 1 365 . 1 1 33 33 ILE N N 15 117.33 0.1 . 1 . . . . . . . . 4901 1 366 . 1 1 34 34 ALA H H 1 9.38 0.02 . 1 . . . . . . . . 4901 1 367 . 1 1 34 34 ALA HA H 1 5.11 0.02 . 1 . . . . . . . . 4901 1 368 . 1 1 34 34 ALA HB1 H 1 0.38 0.02 . 1 . . . . . . . . 4901 1 369 . 1 1 34 34 ALA HB2 H 1 0.38 0.02 . 1 . . . . . . . . 4901 1 370 . 1 1 34 34 ALA HB3 H 1 0.38 0.02 . 1 . . . . . . . . 4901 1 371 . 1 1 34 34 ALA CA C 13 50.19 0.25 . 1 . . . . . . . . 4901 1 372 . 1 1 34 34 ALA CB C 13 20.99 0.25 . 1 . . . . . . . . 4901 1 373 . 1 1 34 34 ALA N N 15 128.45 0.1 . 1 . . . . . . . . 4901 1 374 . 1 1 35 35 TRP H H 1 8.87 0.02 . 1 . . . . . . . . 4901 1 375 . 1 1 35 35 TRP HA H 1 5.83 0.02 . 1 . . . . . . . . 4901 1 376 . 1 1 35 35 TRP HB2 H 1 3.29 0.02 . 1 . . . . . . . . 4901 1 377 . 1 1 35 35 TRP HB3 H 1 3.05 0.02 . 1 . . . . . . . . 4901 1 378 . 1 1 35 35 TRP HE3 H 1 7.63 0.02 . 1 . . . . . . . . 4901 1 379 . 1 1 35 35 TRP HZ2 H 1 7.41 0.02 . 1 . . . . . . . . 4901 1 380 . 1 1 35 35 TRP HZ3 H 1 7.01 0.02 . 1 . . . . . . . . 4901 1 381 . 1 1 35 35 TRP HH2 H 1 7.08 0.02 . 1 . . . . . . . . 4901 1 382 . 1 1 35 35 TRP CA C 13 56.40 0.25 . 1 . . . . . . . . 4901 1 383 . 1 1 35 35 TRP CB C 13 34.03 0.25 . 1 . . . . . . . . 4901 1 384 . 1 1 35 35 TRP N N 15 119.74 0.1 . 1 . . . . . . . . 4901 1 385 . 1 1 36 36 ALA H H 1 8.19 0.02 . 1 . . . . . . . . 4901 1 386 . 1 1 36 36 ALA HA H 1 5.16 0.02 . 1 . . . . . . . . 4901 1 387 . 1 1 36 36 ALA HB1 H 1 1.15 0.02 . 1 . . . . . . . . 4901 1 388 . 1 1 36 36 ALA HB2 H 1 1.15 0.02 . 1 . . . . . . . . 4901 1 389 . 1 1 36 36 ALA HB3 H 1 1.15 0.02 . 1 . . . . . . . . 4901 1 390 . 1 1 36 36 ALA CA C 13 48.93 0.25 . 1 . . . . . . . . 4901 1 391 . 1 1 36 36 ALA CB C 13 20.99 0.25 . 1 . . . . . . . . 4901 1 392 . 1 1 36 36 ALA N N 15 129.72 0.1 . 1 . . . . . . . . 4901 1 393 . 1 1 37 37 PRO HA H 1 4.21 0.02 . 1 . . . . . . . . 4901 1 394 . 1 1 37 37 PRO HB2 H 1 2.42 0.02 . 1 . . . . . . . . 4901 1 395 . 1 1 37 37 PRO HB3 H 1 2.42 0.02 . 1 . . . . . . . . 4901 1 396 . 1 1 37 37 PRO HG2 H 1 2.14 0.02 . 2 . . . . . . . . 4901 1 397 . 1 1 37 37 PRO HG3 H 1 2.07 0.02 . 2 . . . . . . . . 4901 1 398 . 1 1 37 37 PRO HD2 H 1 3.49 0.02 . 2 . . . . . . . . 4901 1 399 . 1 1 37 37 PRO HD3 H 1 3.85 0.02 . 2 . . . . . . . . 4901 1 400 . 1 1 37 37 PRO CA C 13 63.29 0.25 . 1 . . . . . . . . 4901 1 401 . 1 1 37 37 PRO CB C 13 32.52 0.25 . 1 . . . . . . . . 4901 1 402 . 1 1 37 37 PRO CG C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 403 . 1 1 37 37 PRO CD C 13 49.57 0.25 . 1 . . . . . . . . 4901 1 404 . 1 1 37 37 PRO N N 15 121.57 0.1 . 1 . . . . . . . . 4901 1 405 . 1 1 38 38 GLU H H 1 8.70 0.02 . 1 . . . . . . . . 4901 1 406 . 1 1 38 38 GLU HA H 1 4.35 0.02 . 1 . . . . . . . . 4901 1 407 . 1 1 38 38 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 4901 1 408 . 1 1 38 38 GLU HB3 H 1 2.08 0.02 . 1 . . . . . . . . 4901 1 409 . 1 1 38 38 GLU HG2 H 1 2.37 0.02 . 1 . . . . . . . . 4901 1 410 . 1 1 38 38 GLU HG3 H 1 2.37 0.02 . 1 . . . . . . . . 4901 1 411 . 1 1 38 38 GLU CA C 13 57.64 0.25 . 1 . . . . . . . . 4901 1 412 . 1 1 38 38 GLU CB C 13 29.69 0.25 . 1 . . . . . . . . 4901 1 413 . 1 1 38 38 GLU CG C 13 35.89 0.25 . 1 . . . . . . . . 4901 1 414 . 1 1 38 38 GLU N N 15 121.57 0.1 . 1 . . . . . . . . 4901 1 415 . 1 1 39 39 GLY H H 1 8.60 0.02 . 1 . . . . . . . . 4901 1 416 . 1 1 39 39 GLY HA2 H 1 4.25 0.02 . 1 . . . . . . . . 4901 1 417 . 1 1 39 39 GLY HA3 H 1 3.74 0.02 . 1 . . . . . . . . 4901 1 418 . 1 1 39 39 GLY CA C 13 45.22 0.25 . 1 . . . . . . . . 4901 1 419 . 1 1 39 39 GLY N N 15 110.68 0.25 . 1 . . . . . . . . 4901 1 420 . 1 1 40 40 LYS H H 1 7.95 0.02 . 1 . . . . . . . . 4901 1 421 . 1 1 40 40 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 4901 1 422 . 1 1 40 40 LYS HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4901 1 423 . 1 1 40 40 LYS HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4901 1 424 . 1 1 40 40 LYS HG2 H 1 1.50 0.02 . 1 . . . . . . . . 4901 1 425 . 1 1 40 40 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 4901 1 426 . 1 1 40 40 LYS HD2 H 1 1.77 0.02 . 1 . . . . . . . . 4901 1 427 . 1 1 40 40 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4901 1 428 . 1 1 40 40 LYS CA C 13 55.16 0.25 . 1 . . . . . . . . 4901 1 429 . 1 1 40 40 LYS CB C 13 34.03 0.25 . 1 . . . . . . . . 4901 1 430 . 1 1 40 40 LYS CG C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 431 . 1 1 40 40 LYS CD C 13 27.20 0.25 . 1 . . . . . . . . 4901 1 432 . 1 1 40 40 LYS N N 15 119.16 0.1 . 1 . . . . . . . . 4901 1 433 . 1 1 41 41 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 4901 1 434 . 1 1 41 41 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 4901 1 435 . 1 1 41 41 ASP HB2 H 1 2.83 0.02 . 1 . . . . . . . . 4901 1 436 . 1 1 41 41 ASP HB3 H 1 2.58 0.02 . 1 . . . . . . . . 4901 1 437 . 1 1 41 41 ASP CA C 13 53.91 0.25 . 1 . . . . . . . . 4901 1 438 . 1 1 41 41 ASP CB C 13 40.25 0.25 . 1 . . . . . . . . 4901 1 439 . 1 1 41 41 ASP N N 15 118.77 0.1 . 1 . . . . . . . . 4901 1 440 . 1 1 42 42 ARG H H 1 6.93 0.02 . 1 . . . . . . . . 4901 1 441 . 1 1 42 42 ARG HA H 1 4.30 0.02 . 1 . . . . . . . . 4901 1 442 . 1 1 42 42 ARG HB2 H 1 1.75 0.02 . 1 . . . . . . . . 4901 1 443 . 1 1 42 42 ARG HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4901 1 444 . 1 1 42 42 ARG HG2 H 1 1.54 0.02 . 1 . . . . . . . . 4901 1 445 . 1 1 42 42 ARG HG3 H 1 1.54 0.02 . 1 . . . . . . . . 4901 1 446 . 1 1 42 42 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 4901 1 447 . 1 1 42 42 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 4901 1 448 . 1 1 42 42 ARG CA C 13 54.54 0.25 . 1 . . . . . . . . 4901 1 449 . 1 1 42 42 ARG CB C 13 32.17 0.25 . 1 . . . . . . . . 4901 1 450 . 1 1 42 42 ARG CG C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 451 . 1 1 42 42 ARG CD C 13 42.83 0.25 . 1 . . . . . . . . 4901 1 452 . 1 1 42 42 ARG N N 15 115.50 0.1 . 1 . . . . . . . . 4901 1 453 . 1 1 43 43 PHE H H 1 8.10 0.02 . 1 . . . . . . . . 4901 1 454 . 1 1 43 43 PHE HA H 1 4.76 0.02 . 1 . . . . . . . . 4901 1 455 . 1 1 43 43 PHE HB2 H 1 3.27 0.02 . 1 . . . . . . . . 4901 1 456 . 1 1 43 43 PHE HB3 H 1 2.80 0.02 . 1 . . . . . . . . 4901 1 457 . 1 1 43 43 PHE HD1 H 1 7.05 0.02 . 1 . . . . . . . . 4901 1 458 . 1 1 43 43 PHE HD2 H 1 7.05 0.02 . 1 . . . . . . . . 4901 1 459 . 1 1 43 43 PHE HE1 H 1 6.65 0.02 . 1 . . . . . . . . 4901 1 460 . 1 1 43 43 PHE HE2 H 1 6.65 0.02 . 1 . . . . . . . . 4901 1 461 . 1 1 43 43 PHE HZ H 1 6.53 0.02 . 1 . . . . . . . . 4901 1 462 . 1 1 43 43 PHE CA C 13 57.64 0.25 . 1 . . . . . . . . 4901 1 463 . 1 1 43 43 PHE CB C 13 39.38 0.25 . 1 . . . . . . . . 4901 1 464 . 1 1 43 43 PHE N N 15 119.06 0.1 . 1 . . . . . . . . 4901 1 465 . 1 1 44 44 THR H H 1 8.82 0.02 . 1 . . . . . . . . 4901 1 466 . 1 1 44 44 THR HA H 1 4.67 0.02 . 1 . . . . . . . . 4901 1 467 . 1 1 44 44 THR HB H 1 3.96 0.02 . 1 . . . . . . . . 4901 1 468 . 1 1 44 44 THR HG21 H 1 1.35 0.02 . 1 . . . . . . . . 4901 1 469 . 1 1 44 44 THR HG22 H 1 1.35 0.02 . 1 . . . . . . . . 4901 1 470 . 1 1 44 44 THR HG23 H 1 1.35 0.02 . 1 . . . . . . . . 4901 1 471 . 1 1 44 44 THR CA C 13 61.99 0.25 . 1 . . . . . . . . 4901 1 472 . 1 1 44 44 THR CB C 13 68.82 0.25 . 1 . . . . . . . . 4901 1 473 . 1 1 44 44 THR CG2 C 13 21.61 0.25 . 1 . . . . . . . . 4901 1 474 . 1 1 44 44 THR N N 15 112.9 0.1 . 1 . . . . . . . . 4901 1 475 . 1 1 45 45 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 4901 1 476 . 1 1 45 45 ILE HA H 1 4.38 0.02 . 1 . . . . . . . . 4901 1 477 . 1 1 45 45 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 4901 1 478 . 1 1 45 45 ILE HG12 H 1 1.59 0.02 . 1 . . . . . . . . 4901 1 479 . 1 1 45 45 ILE HG13 H 1 1.59 0.02 . 1 . . . . . . . . 4901 1 480 . 1 1 45 45 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 4901 1 481 . 1 1 45 45 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 4901 1 482 . 1 1 45 45 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 4901 1 483 . 1 1 45 45 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 4901 1 484 . 1 1 45 45 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 4901 1 485 . 1 1 45 45 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 4901 1 486 . 1 1 45 45 ILE CA C 13 60.13 0.25 . 1 . . . . . . . . 4901 1 487 . 1 1 45 45 ILE CB C 13 41.490 0.25 . 1 . . . . . . . . 4901 1 488 . 1 1 45 45 ILE CG1 C 13 29.06 0.25 . 1 . . . . . . . . 4901 1 489 . 1 1 45 45 ILE CG2 C 13 15.40 0.25 . 1 . . . . . . . . 4901 1 490 . 1 1 45 45 ILE CD1 C 13 16.64 0.25 . 1 . . . . . . . . 4901 1 491 . 1 1 45 45 ILE N N 15 122.82 0.1 . 1 . . . . . . . . 4901 1 492 . 1 1 46 46 SER H H 1 8.24 0.02 . 1 . . . . . . . . 4901 1 493 . 1 1 46 46 SER HA H 1 4.8 0.02 . 1 . . . . . . . . 4901 1 494 . 1 1 46 46 SER HB2 H 1 3.62 0.02 . 1 . . . . . . . . 4901 1 495 . 1 1 46 46 SER HB3 H 1 3.40 0.02 . 1 . . . . . . . . 4901 1 496 . 1 1 46 46 SER CA C 13 57.64 0.25 . 1 . . . . . . . . 4901 1 497 . 1 1 46 46 SER CB C 13 62.61 0.25 . 1 . . . . . . . . 4901 1 498 . 1 1 46 46 SER N N 15 118.97 0.1 . 1 . . . . . . . . 4901 1 499 . 1 1 47 47 HIS H H 1 9.19 0.02 . 1 . . . . . . . . 4901 1 500 . 1 1 47 47 HIS HA H 1 5.10 0.02 . 1 . . . . . . . . 4901 1 501 . 1 1 47 47 HIS HB2 H 1 2.85 0.02 . 1 . . . . . . . . 4901 1 502 . 1 1 47 47 HIS HB3 H 1 2.69 0.02 . 1 . . . . . . . . 4901 1 503 . 1 1 47 47 HIS HD2 H 1 6.43 0.02 . 1 . . . . . . . . 4901 1 504 . 1 1 47 47 HIS HE1 H 1 7.68 0.02 . 1 . . . . . . . . 4901 1 505 . 1 1 47 47 HIS CA C 13 56.40 0.25 . 1 . . . . . . . . 4901 1 506 . 1 1 47 47 HIS CB C 13 40.87 0.25 . 1 . . . . . . . . 4901 1 507 . 1 1 47 47 HIS N N 15 123.93 0.1 . 1 . . . . . . . . 4901 1 508 . 1 1 48 48 MET H H 1 9.40 0.02 . 1 . . . . . . . . 4901 1 509 . 1 1 48 48 MET HA H 1 4.42 0.02 . 1 . . . . . . . . 4901 1 510 . 1 1 48 48 MET HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4901 1 511 . 1 1 48 48 MET HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4901 1 512 . 1 1 48 48 MET HG2 H 1 2.66 0.02 . 1 . . . . . . . . 4901 1 513 . 1 1 48 48 MET HG3 H 1 2.56 0.02 . 1 . . . . . . . . 4901 1 514 . 1 1 48 48 MET CA C 13 54.54 0.25 . 1 . . . . . . . . 4901 1 515 . 1 1 48 48 MET CB C 13 39.63 0.25 . 1 . . . . . . . . 4901 1 516 . 1 1 48 48 MET CG C 13 32.17 0.25 . 1 . . . . . . . . 4901 1 517 . 1 1 48 48 MET N N 15 123.49 0.1 . 1 . . . . . . . . 4901 1 518 . 1 1 49 49 TYR H H 1 7.93 0.02 . 1 . . . . . . . . 4901 1 519 . 1 1 49 49 TYR HA H 1 4.34 0.02 . 1 . . . . . . . . 4901 1 520 . 1 1 49 49 TYR HB2 H 1 3.04 0.02 . 1 . . . . . . . . 4901 1 521 . 1 1 49 49 TYR HB3 H 1 2.44 0.02 . 1 . . . . . . . . 4901 1 522 . 1 1 49 49 TYR HD1 H 1 6.74 0.02 . 1 . . . . . . . . 4901 1 523 . 1 1 49 49 TYR HD2 H 1 6.74 0.02 . 1 . . . . . . . . 4901 1 524 . 1 1 49 49 TYR HE1 H 1 7.68 0.02 . 1 . . . . . . . . 4901 1 525 . 1 1 49 49 TYR HE2 H 1 7.68 0.02 . 1 . . . . . . . . 4901 1 526 . 1 1 49 49 TYR CA C 13 60.75 0.25 . 1 . . . . . . . . 4901 1 527 . 1 1 49 49 TYR CB C 13 34.52 0.25 . 1 . . . . . . . . 4901 1 528 . 1 1 49 49 TYR N N 15 124.26 0.1 . 1 . . . . . . . . 4901 1 529 . 1 1 50 50 ALA H H 1 9.07 0.02 . 1 . . . . . . . . 4901 1 530 . 1 1 50 50 ALA HA H 1 4.47 0.02 . 1 . . . . . . . . 4901 1 531 . 1 1 50 50 ALA HB1 H 1 1.62 0.02 . 1 . . . . . . . . 4901 1 532 . 1 1 50 50 ALA HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4901 1 533 . 1 1 50 50 ALA HB3 H 1 1.62 0.02 . 1 . . . . . . . . 4901 1 534 . 1 1 50 50 ALA CA C 13 54.54 0.25 . 1 . . . . . . . . 4901 1 535 . 1 1 50 50 ALA CB C 13 20.37 0.25 . 1 . . . . . . . . 4901 1 536 . 1 1 50 50 ALA N N 15 118.68 0.1 . 1 . . . . . . . . 4901 1 537 . 1 1 51 51 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 4901 1 538 . 1 1 51 51 ASP HA H 1 5.13 0.02 . 1 . . . . . . . . 4901 1 539 . 1 1 51 51 ASP HB2 H 1 3.14 0.02 . 1 . . . . . . . . 4901 1 540 . 1 1 51 51 ASP HB3 H 1 3.04 0.02 . 1 . . . . . . . . 4901 1 541 . 1 1 51 51 ASP CA C 13 55.16 0.25 . 1 . . . . . . . . 4901 1 542 . 1 1 51 51 ASP CB C 13 41.49 0.25 . 1 . . . . . . . . 4901 1 543 . 1 1 51 51 ASP N N 15 114.15 0.1 . 1 . . . . . . . . 4901 1 544 . 1 1 52 52 ILE H H 1 7.83 0.02 . 1 . . . . . . . . 4901 1 545 . 1 1 52 52 ILE HA H 1 3.92 0.02 . 1 . . . . . . . . 4901 1 546 . 1 1 52 52 ILE HB H 1 2.16 0.02 . 1 . . . . . . . . 4901 1 547 . 1 1 52 52 ILE HG12 H 1 1.97 0.02 . 1 . . . . . . . . 4901 1 548 . 1 1 52 52 ILE HG13 H 1 1.04 0.02 . 1 . . . . . . . . 4901 1 549 . 1 1 52 52 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4901 1 550 . 1 1 52 52 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4901 1 551 . 1 1 52 52 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4901 1 552 . 1 1 52 52 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 553 . 1 1 52 52 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 554 . 1 1 52 52 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 555 . 1 1 52 52 ILE CA C 13 61.99 0.25 . 1 . . . . . . . . 4901 1 556 . 1 1 52 52 ILE CB C 13 39.00 0.25 . 1 . . . . . . . . 4901 1 557 . 1 1 52 52 ILE CG1 C 13 23.47 0.25 . 1 . . . . . . . . 4901 1 558 . 1 1 52 52 ILE CG2 C 13 17.88 0.25 . 1 . . . . . . . . 4901 1 559 . 1 1 52 52 ILE CD1 C 13 14.13 0.25 . 1 . . . . . . . . 4901 1 560 . 1 1 52 52 ILE N N 15 124.37 0.1 . 1 . . . . . . . . 4901 1 561 . 1 1 53 53 LYS H H 1 9.21 0.02 . 1 . . . . . . . . 4901 1 562 . 1 1 53 53 LYS HA H 1 3.68 0.02 . 1 . . . . . . . . 4901 1 563 . 1 1 53 53 LYS HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4901 1 564 . 1 1 53 53 LYS HB3 H 1 1.36 0.02 . 1 . . . . . . . . 4901 1 565 . 1 1 53 53 LYS HG2 H 1 0.71 0.02 . 1 . . . . . . . . 4901 1 566 . 1 1 53 53 LYS HG3 H 1 0.71 0.02 . 1 . . . . . . . . 4901 1 567 . 1 1 53 53 LYS HD2 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 568 . 1 1 53 53 LYS HD3 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 569 . 1 1 53 53 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 4901 1 570 . 1 1 53 53 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 4901 1 571 . 1 1 53 53 LYS CA C 13 58.26 0.25 . 1 . . . . . . . . 4901 1 572 . 1 1 53 53 LYS CB C 13 33.51 0.25 . 1 . . . . . . . . 4901 1 573 . 1 1 53 53 LYS CD C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 574 . 1 1 53 53 LYS N N 15 127.76 0.1 . 1 . . . . . . . . 4901 1 575 . 1 1 54 54 CYS H H 1 8.01 0.02 . 1 . . . . . . . . 4901 1 576 . 1 1 54 54 CYS HA H 1 4.80 0.02 . 1 . . . . . . . . 4901 1 577 . 1 1 54 54 CYS HB2 H 1 3.64 0.02 . 1 . . . . . . . . 4901 1 578 . 1 1 54 54 CYS HB3 H 1 3.62 0.02 . 1 . . . . . . . . 4901 1 579 . 1 1 54 54 CYS CA C 13 55.16 0.25 . 1 . . . . . . . . 4901 1 580 . 1 1 54 54 CYS CB C 13 45.22 0.25 . 1 . . . . . . . . 4901 1 581 . 1 1 54 54 CYS N N 15 110.01 0.1 . 1 . . . . . . . . 4901 1 582 . 1 1 55 55 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 4901 1 583 . 1 1 55 55 GLN HA H 1 5.77 0.02 . 1 . . . . . . . . 4901 1 584 . 1 1 55 55 GLN HB2 H 1 2.28 0.02 . 1 . . . . . . . . 4901 1 585 . 1 1 55 55 GLN HB3 H 1 2.22 0.02 . 1 . . . . . . . . 4901 1 586 . 1 1 55 55 GLN HG2 H 1 1.62 0.02 . 1 . . . . . . . . 4901 1 587 . 1 1 55 55 GLN HG3 H 1 1.62 0.02 . 1 . . . . . . . . 4901 1 588 . 1 1 55 55 GLN HE21 H 1 7.53 0.02 . 1 . . . . . . . . 4901 1 589 . 1 1 55 55 GLN HE22 H 1 6.94 0.02 . 1 . . . . . . . . 4901 1 590 . 1 1 55 55 GLN CA C 13 52.67 0.25 . 1 . . . . . . . . 4901 1 591 . 1 1 55 55 GLN CB C 13 30.93 0.25 . 1 . . . . . . . . 4901 1 592 . 1 1 55 55 GLN CG C 13 31.55 0.25 . 1 . . . . . . . . 4901 1 593 . 1 1 55 55 GLN N N 15 115.33 0.1 . 1 . . . . . . . . 4901 1 594 . 1 1 55 55 GLN NE2 N 15 111.26 0.1 . 1 . . . . . . . . 4901 1 595 . 1 1 56 56 LYS H H 1 9.27 0.02 . 1 . . . . . . . . 4901 1 596 . 1 1 56 56 LYS HA H 1 4.77 0.02 . 1 . . . . . . . . 4901 1 597 . 1 1 56 56 LYS HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4901 1 598 . 1 1 56 56 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4901 1 599 . 1 1 56 56 LYS HG2 H 1 1.69 0.02 . 1 . . . . . . . . 4901 1 600 . 1 1 56 56 LYS HG3 H 1 1.69 0.02 . 1 . . . . . . . . 4901 1 601 . 1 1 56 56 LYS HD2 H 1 1.39 0.02 . 1 . . . . . . . . 4901 1 602 . 1 1 56 56 LYS HD3 H 1 1.39 0.02 . 1 . . . . . . . . 4901 1 603 . 1 1 56 56 LYS HE2 H 1 3.50 0.02 . 1 . . . . . . . . 4901 1 604 . 1 1 56 56 LYS HE3 H 1 3.50 0.02 . 1 . . . . . . . . 4901 1 605 . 1 1 56 56 LYS CA C 13 55.16 0.25 . 1 . . . . . . . . 4901 1 606 . 1 1 56 56 LYS CB C 13 35.90 0.25 . 1 . . . . . . . . 4901 1 607 . 1 1 56 56 LYS CG C 13 24.72 0.25 . 1 . . . . . . . . 4901 1 608 . 1 1 56 56 LYS CD C 13 28.44 0.25 . 1 . . . . . . . . 4901 1 609 . 1 1 56 56 LYS CE C 13 46.46 0.25 . 1 . . . . . . . . 4901 1 610 . 1 1 56 56 LYS N N 15 119.54 0.1 . 1 . . . . . . . . 4901 1 611 . 1 1 57 57 ILE H H 1 8.74 0.02 . 1 . . . . . . . . 4901 1 612 . 1 1 57 57 ILE HA H 1 4.79 0.02 . 1 . . . . . . . . 4901 1 613 . 1 1 57 57 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 4901 1 614 . 1 1 57 57 ILE HG12 H 1 1.49 0.02 . 1 . . . . . . . . 4901 1 615 . 1 1 57 57 ILE HG13 H 1 1.49 0.02 . 1 . . . . . . . . 4901 1 616 . 1 1 57 57 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4901 1 617 . 1 1 57 57 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4901 1 618 . 1 1 57 57 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4901 1 619 . 1 1 57 57 ILE HD11 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 620 . 1 1 57 57 ILE HD12 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 621 . 1 1 57 57 ILE HD13 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 622 . 1 1 57 57 ILE CA C 13 60.03 0.25 . 1 . . . . . . . . 4901 1 623 . 1 1 57 57 ILE CB C 13 39.63 0.25 . 1 . . . . . . . . 4901 1 624 . 1 1 57 57 ILE CG1 C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 625 . 1 1 57 57 ILE CG2 C 13 19.75 0.25 . 1 . . . . . . . . 4901 1 626 . 1 1 57 57 ILE CD1 C 13 14.15 0.25 . 1 . . . . . . . . 4901 1 627 . 1 1 57 57 ILE N N 15 119.30 0.1 . 1 . . . . . . . . 4901 1 628 . 1 1 58 58 SER H H 1 8.23 0.02 . 1 . . . . . . . . 4901 1 629 . 1 1 58 58 SER HA H 1 4.82 0.02 . 1 . . . . . . . . 4901 1 630 . 1 1 58 58 SER N N 15 121.61 0.1 . 1 . . . . . . . . 4901 1 631 . 1 1 61 61 GLY H H 1 8.82 0.02 . 1 . . . . . . . . 4901 1 632 . 1 1 61 61 GLY HA2 H 1 4.24 0.02 . 1 . . . . . . . . 4901 1 633 . 1 1 61 61 GLY HA3 H 1 4.01 0.02 . 1 . . . . . . . . 4901 1 634 . 1 1 61 61 GLY CA C 13 45.22 0.25 . 1 . . . . . . . . 4901 1 635 . 1 1 61 61 GLY N N 15 112.75 0.1 . 1 . . . . . . . . 4901 1 636 . 1 1 62 62 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 4901 1 637 . 1 1 62 62 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4901 1 638 . 1 1 62 62 LYS HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4901 1 639 . 1 1 62 62 LYS HB3 H 1 1.33 0.02 . 1 . . . . . . . . 4901 1 640 . 1 1 62 62 LYS HG2 H 1 1.21 0.02 . 1 . . . . . . . . 4901 1 641 . 1 1 62 62 LYS HG3 H 1 1.21 0.02 . 1 . . . . . . . . 4901 1 642 . 1 1 62 62 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 4901 1 643 . 1 1 62 62 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 4901 1 644 . 1 1 62 62 LYS CA C 13 56.40 0.25 . 1 . . . . . . . . 4901 1 645 . 1 1 62 62 LYS CB C 13 32.79 0.25 . 1 . . . . . . . . 4901 1 646 . 1 1 62 62 LYS CG C 13 28.44 0.25 . 1 . . . . . . . . 4901 1 647 . 1 1 62 62 LYS CD C 13 24.72 0.25 . 1 . . . . . . . . 4901 1 648 . 1 1 62 62 LYS N N 15 117.33 0.1 . 1 . . . . . . . . 4901 1 649 . 1 1 63 63 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 4901 1 650 . 1 1 63 63 ALA HA H 1 4.41 0.02 . 1 . . . . . . . . 4901 1 651 . 1 1 63 63 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4901 1 652 . 1 1 63 63 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4901 1 653 . 1 1 63 63 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4901 1 654 . 1 1 63 63 ALA CA C 13 52.67 0.25 . 1 . . . . . . . . 4901 1 655 . 1 1 63 63 ALA CB C 13 19.75 0.25 . 1 . . . . . . . . 4901 1 656 . 1 1 63 63 ALA N N 15 125.71 0.1 . 1 . . . . . . . . 4901 1 657 . 1 1 64 64 LYS H H 1 8.03 0.02 . 1 . . . . . . . . 4901 1 658 . 1 1 64 64 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 4901 1 659 . 1 1 64 64 LYS CA C 13 54.63 0.25 . 1 . . . . . . . . 4901 1 660 . 1 1 64 64 LYS CB C 13 31.39 0.25 . 1 . . . . . . . . 4901 1 661 . 1 1 64 64 LYS N N 15 124.82 0.1 . 1 . . . . . . . . 4901 1 662 . 1 1 65 65 ILE H H 1 9.15 0.02 . 1 . . . . . . . . 4901 1 663 . 1 1 65 65 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 4901 1 664 . 1 1 65 65 ILE HB H 1 2.60 0.02 . 1 . . . . . . . . 4901 1 665 . 1 1 65 65 ILE HG12 H 1 1.48 0.02 . 1 . . . . . . . . 4901 1 666 . 1 1 65 65 ILE HG13 H 1 1.48 0.02 . 1 . . . . . . . . 4901 1 667 . 1 1 65 65 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 668 . 1 1 65 65 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 669 . 1 1 65 65 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 670 . 1 1 65 65 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 4901 1 671 . 1 1 65 65 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 4901 1 672 . 1 1 65 65 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 4901 1 673 . 1 1 65 65 ILE CA C 13 60.13 0.25 . 1 . . . . . . . . 4901 1 674 . 1 1 65 65 ILE CB C 13 34.03 0.25 . 1 . . . . . . . . 4901 1 675 . 1 1 65 65 ILE CG1 C 13 26.58 0.25 . 1 . . . . . . . . 4901 1 676 . 1 1 65 65 ILE CG2 C 13 17.26 0.25 . 1 . . . . . . . . 4901 1 677 . 1 1 65 65 ILE CD1 C 13 16.64 0.25 . 1 . . . . . . . . 4901 1 678 . 1 1 65 65 ILE N N 15 125.13 0.1 . 1 . . . . . . . . 4901 1 679 . 1 1 66 66 GLN H H 1 8.75 0.02 . 1 . . . . . . . . 4901 1 680 . 1 1 66 66 GLN HA H 1 6.23 0.02 . 1 . . . . . . . . 4901 1 681 . 1 1 66 66 GLN HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4901 1 682 . 1 1 66 66 GLN HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4901 1 683 . 1 1 66 66 GLN HG2 H 1 2.38 0.02 . 1 . . . . . . . . 4901 1 684 . 1 1 66 66 GLN HG3 H 1 2.20 0.02 . 1 . . . . . . . . 4901 1 685 . 1 1 66 66 GLN HE21 H 1 7.56 0.02 . 1 . . . . . . . . 4901 1 686 . 1 1 66 66 GLN HE22 H 1 6.89 0.02 . 1 . . . . . . . . 4901 1 687 . 1 1 66 66 GLN CA C 13 53.91 0.25 . 1 . . . . . . . . 4901 1 688 . 1 1 66 66 GLN CB C 13 32.79 0.25 . 1 . . . . . . . . 4901 1 689 . 1 1 66 66 GLN CG C 13 34.65 0.25 . 1 . . . . . . . . 4901 1 690 . 1 1 66 66 GLN N N 15 125.90 0.1 . 1 . . . . . . . . 4901 1 691 . 1 1 66 66 GLN NE2 N 15 110.48 0.1 . 1 . . . . . . . . 4901 1 692 . 1 1 67 67 LEU H H 1 9.20 0.02 . 1 . . . . . . . . 4901 1 693 . 1 1 67 67 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . 4901 1 694 . 1 1 67 67 LEU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4901 1 695 . 1 1 67 67 LEU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4901 1 696 . 1 1 67 67 LEU HG H 1 1.90 0.02 . 1 . . . . . . . . 4901 1 697 . 1 1 67 67 LEU HD11 H 1 1.14 0.02 . 1 . . . . . . . . 4901 1 698 . 1 1 67 67 LEU HD12 H 1 1.14 0.02 . 1 . . . . . . . . 4901 1 699 . 1 1 67 67 LEU HD13 H 1 1.14 0.02 . 1 . . . . . . . . 4901 1 700 . 1 1 67 67 LEU HD21 H 1 1.06 0.02 . 1 . . . . . . . . 4901 1 701 . 1 1 67 67 LEU HD22 H 1 1.06 0.02 . 1 . . . . . . . . 4901 1 702 . 1 1 67 67 LEU HD23 H 1 1.06 0.02 . 1 . . . . . . . . 4901 1 703 . 1 1 67 67 LEU CA C 13 55.16 0.25 . 1 . . . . . . . . 4901 1 704 . 1 1 67 67 LEU CB C 13 48.94 0.25 . 1 . . . . . . . . 4901 1 705 . 1 1 67 67 LEU CG C 13 26.58 0.25 . 1 . . . . . . . . 4901 1 706 . 1 1 67 67 LEU CD1 C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 707 . 1 1 67 67 LEU CD2 C 13 23.47 0.25 . 1 . . . . . . . . 4901 1 708 . 1 1 67 67 LEU N N 15 123.40 0.1 . 1 . . . . . . . . 4901 1 709 . 1 1 68 68 GLN H H 1 9.37 0.02 . 1 . . . . . . . . 4901 1 710 . 1 1 68 68 GLN HA H 1 5.49 0.02 . 1 . . . . . . . . 4901 1 711 . 1 1 68 68 GLN HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4901 1 712 . 1 1 68 68 GLN HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4901 1 713 . 1 1 68 68 GLN HG2 H 1 2.26 0.02 . 1 . . . . . . . . 4901 1 714 . 1 1 68 68 GLN HG3 H 1 2.26 0.02 . 1 . . . . . . . . 4901 1 715 . 1 1 68 68 GLN HE21 H 1 7.63 0.02 . 1 . . . . . . . . 4901 1 716 . 1 1 68 68 GLN HE22 H 1 6.81 0.02 . 1 . . . . . . . . 4901 1 717 . 1 1 68 68 GLN CA C 13 53.91 0.25 . 1 . . . . . . . . 4901 1 718 . 1 1 68 68 GLN CB C 13 32.79 0.25 . 1 . . . . . . . . 4901 1 719 . 1 1 68 68 GLN CG C 13 34.66 0.25 . 1 . . . . . . . . 4901 1 720 . 1 1 68 68 GLN N N 15 125.23 0.1 . 1 . . . . . . . . 4901 1 721 . 1 1 68 68 GLN NE2 N 15 110.48 0.1 . 1 . . . . . . . . 4901 1 722 . 1 1 69 69 LEU H H 1 9.24 0.02 . 1 . . . . . . . . 4901 1 723 . 1 1 69 69 LEU HA H 1 5.00 0.02 . 1 . . . . . . . . 4901 1 724 . 1 1 69 69 LEU HB2 H 1 1.95 0.02 . 1 . . . . . . . . 4901 1 725 . 1 1 69 69 LEU HB3 H 1 1.86 0.02 . 1 . . . . . . . . 4901 1 726 . 1 1 69 69 LEU HG H 1 1.98 0.02 . 1 . . . . . . . . 4901 1 727 . 1 1 69 69 LEU HD11 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 728 . 1 1 69 69 LEU HD12 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 729 . 1 1 69 69 LEU HD13 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 730 . 1 1 69 69 LEU HD21 H 1 1.20 0.02 . 1 . . . . . . . . 4901 1 731 . 1 1 69 69 LEU HD22 H 1 1.20 0.02 . 1 . . . . . . . . 4901 1 732 . 1 1 69 69 LEU HD23 H 1 1.20 0.02 . 1 . . . . . . . . 4901 1 733 . 1 1 69 69 LEU CA C 13 53.29 0.25 . 1 . . . . . . . . 4901 1 734 . 1 1 69 69 LEU CB C 13 42.73 0.25 . 1 . . . . . . . . 4901 1 735 . 1 1 69 69 LEU CG C 13 26.58 0.25 . 1 . . . . . . . . 4901 1 736 . 1 1 69 69 LEU CD1 C 13 20.37 0.25 . 1 . . . . . . . . 4901 1 737 . 1 1 69 69 LEU CD2 C 13 22.85 0.25 . 1 . . . . . . . . 4901 1 738 . 1 1 69 69 LEU N N 15 122.43 0.1 . 1 . . . . . . . . 4901 1 739 . 1 1 70 70 VAL H H 1 8.61 0.02 . 1 . . . . . . . . 4901 1 740 . 1 1 70 70 VAL HA H 1 4.37 0.02 . 1 . . . . . . . . 4901 1 741 . 1 1 70 70 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 4901 1 742 . 1 1 70 70 VAL HG11 H 1 0.89 0.02 . 1 . . . . . . . . 4901 1 743 . 1 1 70 70 VAL HG12 H 1 0.89 0.02 . 1 . . . . . . . . 4901 1 744 . 1 1 70 70 VAL HG13 H 1 0.89 0.02 . 1 . . . . . . . . 4901 1 745 . 1 1 70 70 VAL HG21 H 1 1.19 0.02 . 1 . . . . . . . . 4901 1 746 . 1 1 70 70 VAL HG22 H 1 1.19 0.02 . 1 . . . . . . . . 4901 1 747 . 1 1 70 70 VAL HG23 H 1 1.19 0.02 . 1 . . . . . . . . 4901 1 748 . 1 1 70 70 VAL CA C 13 61.37 0.25 . 1 . . . . . . . . 4901 1 749 . 1 1 70 70 VAL CB C 13 32.17 0.25 . 1 . . . . . . . . 4901 1 750 . 1 1 70 70 VAL CG1 C 13 20.37 0.25 . 1 . . . . . . . . 4901 1 751 . 1 1 70 70 VAL CG2 C 13 21.61 0.25 . 1 . . . . . . . . 4901 1 752 . 1 1 70 70 VAL N N 15 123.01 0.1 . 1 . . . . . . . . 4901 1 753 . 1 1 71 71 LEU H H 1 8.90 0.02 . 1 . . . . . . . . 4901 1 754 . 1 1 71 71 LEU HA H 1 4.68 0.02 . 1 . . . . . . . . 4901 1 755 . 1 1 71 71 LEU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4901 1 756 . 1 1 71 71 LEU HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4901 1 757 . 1 1 71 71 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 4901 1 758 . 1 1 71 71 LEU HD11 H 1 0.23 0.02 . 1 . . . . . . . . 4901 1 759 . 1 1 71 71 LEU HD12 H 1 0.23 0.02 . 1 . . . . . . . . 4901 1 760 . 1 1 71 71 LEU HD13 H 1 0.23 0.02 . 1 . . . . . . . . 4901 1 761 . 1 1 71 71 LEU HD21 H 1 0.56 0.02 . 1 . . . . . . . . 4901 1 762 . 1 1 71 71 LEU HD22 H 1 0.56 0.02 . 1 . . . . . . . . 4901 1 763 . 1 1 71 71 LEU HD23 H 1 0.56 0.02 . 1 . . . . . . . . 4901 1 764 . 1 1 71 71 LEU CA C 13 53.91 0.25 . 1 . . . . . . . . 4901 1 765 . 1 1 71 71 LEU CB C 13 40.15 0.25 . 1 . . . . . . . . 4901 1 766 . 1 1 71 71 LEU CG C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 767 . 1 1 71 71 LEU CD1 C 13 22.23 0.25 . 1 . . . . . . . . 4901 1 768 . 1 1 71 71 LEU CD2 C 13 21.61 0.25 . 1 . . . . . . . . 4901 1 769 . 1 1 71 71 LEU N N 15 127.58 0.1 . 1 . . . . . . . . 4901 1 770 . 1 1 72 72 HIS H H 1 8.26 0.25 . 1 . . . . . . . . 4901 1 771 . 1 1 72 72 HIS HA H 1 4.32 0.25 . 1 . . . . . . . . 4901 1 772 . 1 1 72 72 HIS HB2 H 1 3.14 0.25 . 2 . . . . . . . . 4901 1 773 . 1 1 72 72 HIS HB3 H 1 3.11 0.25 . 2 . . . . . . . . 4901 1 774 . 1 1 72 72 HIS HD2 H 1 7.01 0.02 . 1 . . . . . . . . 4901 1 775 . 1 1 72 72 HIS HE1 H 1 7.92 0.02 . 1 . . . . . . . . 4901 1 776 . 1 1 72 72 HIS CA C 13 61.37 0.25 . 1 . . . . . . . . 4901 1 777 . 1 1 72 72 HIS CB C 13 30.31 0.25 . 1 . . . . . . . . 4901 1 778 . 1 1 72 72 HIS N N 15 121.57 0.1 . 1 . . . . . . . . 4901 1 779 . 1 1 73 73 ALA H H 1 8.67 0.02 . 1 . . . . . . . . 4901 1 780 . 1 1 73 73 ALA HA H 1 4.41 0.02 . 1 . . . . . . . . 4901 1 781 . 1 1 73 73 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 4901 1 782 . 1 1 73 73 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 4901 1 783 . 1 1 73 73 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 4901 1 784 . 1 1 73 73 ALA CA C 13 53.29 0.25 . 1 . . . . . . . . 4901 1 785 . 1 1 73 73 ALA CB C 13 18.50 0.25 . 1 . . . . . . . . 4901 1 786 . 1 1 73 73 ALA N N 15 117.52 0.1 . 1 . . . . . . . . 4901 1 787 . 1 1 74 74 GLY H H 1 7.68 0.02 . 1 . . . . . . . . 4901 1 788 . 1 1 74 74 GLY HA2 H 1 4.58 0.02 . 1 . . . . . . . . 4901 1 789 . 1 1 74 74 GLY HA3 H 1 3.69 0.02 . 1 . . . . . . . . 4901 1 790 . 1 1 74 74 GLY CA C 13 45.22 0.25 . 1 . . . . . . . . 4901 1 791 . 1 1 74 74 GLY N N 15 104.34 0.1 . 1 . . . . . . . . 4901 1 792 . 1 1 75 75 ASP H H 1 8.01 0.02 . 1 . . . . . . . . 4901 1 793 . 1 1 75 75 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 4901 1 794 . 1 1 75 75 ASP HB2 H 1 2.75 0.02 . 1 . . . . . . . . 4901 1 795 . 1 1 75 75 ASP HB3 H 1 2.56 0.02 . 1 . . . . . . . . 4901 1 796 . 1 1 75 75 ASP CA C 13 53.91 0.25 . 1 . . . . . . . . 4901 1 797 . 1 1 75 75 ASP CB C 13 41.49 0.25 . 1 . . . . . . . . 4901 1 798 . 1 1 75 75 ASP N N 15 118.48 0.1 . 1 . . . . . . . . 4901 1 799 . 1 1 76 76 THR H H 1 8.36 0.02 . 1 . . . . . . . . 4901 1 800 . 1 1 76 76 THR HA H 1 5.32 0.02 . 1 . . . . . . . . 4901 1 801 . 1 1 76 76 THR HB H 1 3.95 0.02 . 1 . . . . . . . . 4901 1 802 . 1 1 76 76 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 4901 1 803 . 1 1 76 76 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 4901 1 804 . 1 1 76 76 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 4901 1 805 . 1 1 76 76 THR CA C 13 60.13 0.25 . 1 . . . . . . . . 4901 1 806 . 1 1 76 76 THR CB C 13 71.90 0.25 . 1 . . . . . . . . 4901 1 807 . 1 1 76 76 THR CG2 C 13 20.37 0.25 . 1 . . . . . . . . 4901 1 808 . 1 1 76 76 THR N N 15 110.68 0.1 . 1 . . . . . . . . 4901 1 809 . 1 1 77 77 THR H H 1 8.69 0.02 . 1 . . . . . . . . 4901 1 810 . 1 1 77 77 THR HA H 1 4.33 0.02 . 1 . . . . . . . . 4901 1 811 . 1 1 77 77 THR HB H 1 3.67 0.02 . 1 . . . . . . . . 4901 1 812 . 1 1 77 77 THR HG21 H 1 0.58 0.02 . 1 . . . . . . . . 4901 1 813 . 1 1 77 77 THR HG22 H 1 0.58 0.02 . 1 . . . . . . . . 4901 1 814 . 1 1 77 77 THR HG23 H 1 0.58 0.02 . 1 . . . . . . . . 4901 1 815 . 1 1 77 77 THR CA C 13 65.57 0.25 . 1 . . . . . . . . 4901 1 816 . 1 1 77 77 THR CB C 13 70.76 0.25 . 1 . . . . . . . . 4901 1 817 . 1 1 77 77 THR CG2 C 13 22.90 0.02 . 1 . . . . . . . . 4901 1 818 . 1 1 77 77 THR N N 15 120.90 0.1 . 1 . . . . . . . . 4901 1 819 . 1 1 78 78 ASN H H 1 8.80 0.02 . 1 . . . . . . . . 4901 1 820 . 1 1 78 78 ASN HA H 1 5.22 0.02 . 1 . . . . . . . . 4901 1 821 . 1 1 78 78 ASN HB2 H 1 2.60 0.02 . 1 . . . . . . . . 4901 1 822 . 1 1 78 78 ASN HB3 H 1 2.52 0.02 . 1 . . . . . . . . 4901 1 823 . 1 1 78 78 ASN HD21 H 1 7.20 0.02 . 1 . . . . . . . . 4901 1 824 . 1 1 78 78 ASN HD22 H 1 6.82 0.02 . 1 . . . . . . . . 4901 1 825 . 1 1 78 78 ASN CA C 13 52.05 0.25 . 1 . . . . . . . . 4901 1 826 . 1 1 78 78 ASN CB C 13 41.49 0.25 . 1 . . . . . . . . 4901 1 827 . 1 1 78 78 ASN N N 15 125.42 0.1 . 1 . . . . . . . . 4901 1 828 . 1 1 78 78 ASN ND2 N 15 111.64 0.1 . 1 . . . . . . . . 4901 1 829 . 1 1 79 79 PHE H H 1 9.04 0.02 . 1 . . . . . . . . 4901 1 830 . 1 1 79 79 PHE HA H 1 5.07 0.02 . 1 . . . . . . . . 4901 1 831 . 1 1 79 79 PHE HB2 H 1 2.87 0.02 . 1 . . . . . . . . 4901 1 832 . 1 1 79 79 PHE HB3 H 1 2.66 0.02 . 1 . . . . . . . . 4901 1 833 . 1 1 79 79 PHE HD1 H 1 6.91 0.02 . 1 . . . . . . . . 4901 1 834 . 1 1 79 79 PHE HD2 H 1 6.91 0.02 . 1 . . . . . . . . 4901 1 835 . 1 1 79 79 PHE HE1 H 1 6.82 0.02 . 1 . . . . . . . . 4901 1 836 . 1 1 79 79 PHE HE2 H 1 6.82 0.02 . 1 . . . . . . . . 4901 1 837 . 1 1 79 79 PHE CA C 13 55.78 0.25 . 1 . . . . . . . . 4901 1 838 . 1 1 79 79 PHE CB C 13 41.49 0.25 . 1 . . . . . . . . 4901 1 839 . 1 1 79 79 PHE N N 15 121.37 0.1 . 1 . . . . . . . . 4901 1 840 . 1 1 80 80 HIS H H 1 9.05 0.02 . 1 . . . . . . . . 4901 1 841 . 1 1 80 80 HIS HA H 1 5.51 0.02 . 1 . . . . . . . . 4901 1 842 . 1 1 80 80 HIS HB2 H 1 3.21 0.02 . 2 . . . . . . . . 4901 1 843 . 1 1 80 80 HIS HB3 H 1 3.12 0.02 . 2 . . . . . . . . 4901 1 844 . 1 1 80 80 HIS HD2 H 1 7.16 0.02 . 1 . . . . . . . . 4901 1 845 . 1 1 80 80 HIS HE1 H 1 7.77 0.02 . 1 . . . . . . . . 4901 1 846 . 1 1 80 80 HIS CA C 13 52.67 0.25 . 1 . . . . . . . . 4901 1 847 . 1 1 80 80 HIS CB C 13 33.41 0.25 . 1 . . . . . . . . 4901 1 848 . 1 1 80 80 HIS N N 15 122.24 0.1 . 1 . . . . . . . . 4901 1 849 . 1 1 81 81 PHE H H 1 9.25 0.02 . 1 . . . . . . . . 4901 1 850 . 1 1 81 81 PHE HA H 1 4.48 0.02 . 1 . . . . . . . . 4901 1 851 . 1 1 81 81 PHE HB2 H 1 3.30 0.02 . 1 . . . . . . . . 4901 1 852 . 1 1 81 81 PHE HB3 H 1 3.11 0.02 . 1 . . . . . . . . 4901 1 853 . 1 1 81 81 PHE HD1 H 1 7.61 0.02 . 1 . . . . . . . . 4901 1 854 . 1 1 81 81 PHE HD2 H 1 7.61 0.02 . 1 . . . . . . . . 4901 1 855 . 1 1 81 81 PHE HE1 H 1 7.68 0.02 . 1 . . . . . . . . 4901 1 856 . 1 1 81 81 PHE HE2 H 1 7.68 0.02 . 1 . . . . . . . . 4901 1 857 . 1 1 81 81 PHE CA C 13 58.88 0.25 . 1 . . . . . . . . 4901 1 858 . 1 1 81 81 PHE CB C 13 37.76 0.25 . 1 . . . . . . . . 4901 1 859 . 1 1 81 81 PHE N N 15 130.49 0.1 . 1 . . . . . . . . 4901 1 860 . 1 1 82 82 SER H H 1 7.96 0.02 . 1 . . . . . . . . 4901 1 861 . 1 1 82 82 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 4901 1 862 . 1 1 82 82 SER HB2 H 1 4.10 0.02 . 1 . . . . . . . . 4901 1 863 . 1 1 82 82 SER HB3 H 1 3.99 0.02 . 1 . . . . . . . . 4901 1 864 . 1 1 82 82 SER CA C 13 58.26 0.25 . 1 . . . . . . . . 4901 1 865 . 1 1 82 82 SER CB C 13 66.34 0.25 . 1 . . . . . . . . 4901 1 866 . 1 1 82 82 SER N N 15 119.69 0.1 . 1 . . . . . . . . 4901 1 867 . 1 1 85 85 SER H H 1 8.78 0.02 . 1 . . . . . . . . 4901 1 868 . 1 1 85 85 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4901 1 869 . 1 1 85 85 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 4901 1 870 . 1 1 85 85 SER CA C 13 62.69 0.25 . 1 . . . . . . . . 4901 1 871 . 1 1 85 85 SER CB C 13 64.21 0.25 . 1 . . . . . . . . 4901 1 872 . 1 1 85 85 SER N N 15 111.55 0.1 . 1 . . . . . . . . 4901 1 873 . 1 1 86 86 THR H H 1 7.41 0.02 . 1 . . . . . . . . 4901 1 874 . 1 1 86 86 THR HA H 1 4.76 0.02 . 1 . . . . . . . . 4901 1 875 . 1 1 86 86 THR HB H 1 3.25 0.02 . 1 . . . . . . . . 4901 1 876 . 1 1 86 86 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 4901 1 877 . 1 1 86 86 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 4901 1 878 . 1 1 86 86 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 4901 1 879 . 1 1 86 86 THR CA C 13 61.37 0.25 . 1 . . . . . . . . 4901 1 880 . 1 1 86 86 THR CB C 13 69.82 0.25 . 1 . . . . . . . . 4901 1 881 . 1 1 86 86 THR CG2 C 13 20.99 0.25 . 1 . . . . . . . . 4901 1 882 . 1 1 86 86 THR N N 15 108.17 0.1 . 1 . . . . . . . . 4901 1 883 . 1 1 87 87 ALA H H 1 7.77 0.02 . 1 . . . . . . . . 4901 1 884 . 1 1 87 87 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 4901 1 885 . 1 1 87 87 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4901 1 886 . 1 1 87 87 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4901 1 887 . 1 1 87 87 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4901 1 888 . 1 1 87 87 ALA CA C 13 56.20 0.25 . 1 . . . . . . . . 4901 1 889 . 1 1 87 87 ALA CB C 13 19.65 0.25 . 1 . . . . . . . . 4901 1 890 . 1 1 87 87 ALA N N 15 124.87 0.1 . 1 . . . . . . . . 4901 1 891 . 1 1 88 88 VAL H H 1 8.43 0.02 . 1 . . . . . . . . 4901 1 892 . 1 1 88 88 VAL HA H 1 3.74 0.02 . 1 . . . . . . . . 4901 1 893 . 1 1 88 88 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . 4901 1 894 . 1 1 88 88 VAL HG11 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 895 . 1 1 88 88 VAL HG12 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 896 . 1 1 88 88 VAL HG13 H 1 1.07 0.02 . 1 . . . . . . . . 4901 1 897 . 1 1 88 88 VAL HG21 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 898 . 1 1 88 88 VAL HG22 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 899 . 1 1 88 88 VAL HG23 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 900 . 1 1 88 88 VAL CA C 13 66.96 0.25 . 1 . . . . . . . . 4901 1 901 . 1 1 88 88 VAL CB C 13 30.93 0.25 . 1 . . . . . . . . 4901 1 902 . 1 1 88 88 VAL CG1 C 13 13.53 0.25 . 1 . . . . . . . . 4901 1 903 . 1 1 88 88 VAL CG2 C 13 17.26 0.25 . 1 . . . . . . . . 4901 1 904 . 1 1 88 88 VAL N N 15 115.45 0.1 . 1 . . . . . . . . 4901 1 905 . 1 1 89 89 LYS H H 1 7.771 0.02 . 1 . . . . . . . . 4901 1 906 . 1 1 89 89 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 4901 1 907 . 1 1 89 89 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4901 1 908 . 1 1 89 89 LYS HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4901 1 909 . 1 1 89 89 LYS HG2 H 1 1.47 0.02 . 1 . . . . . . . . 4901 1 910 . 1 1 89 89 LYS HG3 H 1 1.47 0.02 . 1 . . . . . . . . 4901 1 911 . 1 1 89 89 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 4901 1 912 . 1 1 89 89 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 4901 1 913 . 1 1 89 89 LYS HE2 H 1 3.29 0.02 . 1 . . . . . . . . 4901 1 914 . 1 1 89 89 LYS HE3 H 1 3.29 0.02 . 1 . . . . . . . . 4901 1 915 . 1 1 89 89 LYS CA C 13 58.88 0.25 . 1 . . . . . . . . 4901 1 916 . 1 1 89 89 LYS CB C 13 32.17 0.25 . 1 . . . . . . . . 4901 1 917 . 1 1 89 89 LYS CG C 13 25.34 0.25 . 1 . . . . . . . . 4901 1 918 . 1 1 89 89 LYS CD C 13 30.93 0.25 . 1 . . . . . . . . 4901 1 919 . 1 1 89 89 LYS N N 15 118.92 0.1 . 1 . . . . . . . . 4901 1 920 . 1 1 90 90 GLU H H 1 8.55 0.02 . 1 . . . . . . . . 4901 1 921 . 1 1 90 90 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 4901 1 922 . 1 1 90 90 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4901 1 923 . 1 1 90 90 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4901 1 924 . 1 1 90 90 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 4901 1 925 . 1 1 90 90 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . 4901 1 926 . 1 1 90 90 GLU CA C 13 58.88 0.25 . 1 . . . . . . . . 4901 1 927 . 1 1 90 90 GLU CB C 13 31.45 0.25 . 1 . . . . . . . . 4901 1 928 . 1 1 90 90 GLU CG C 13 34.66 0.25 . 1 . . . . . . . . 4901 1 929 . 1 1 90 90 GLU N N 15 120.70 0.1 . 1 . . . . . . . . 4901 1 930 . 1 1 91 91 ARG H H 1 8.39 0.02 . 1 . . . . . . . . 4901 1 931 . 1 1 91 91 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 4901 1 932 . 1 1 91 91 ARG HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4901 1 933 . 1 1 91 91 ARG HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4901 1 934 . 1 1 91 91 ARG HG2 H 1 0.51 0.02 . 1 . . . . . . . . 4901 1 935 . 1 1 91 91 ARG HG3 H 1 0.51 0.02 . 1 . . . . . . . . 4901 1 936 . 1 1 91 91 ARG HD2 H 1 3.42 0.02 . 1 . . . . . . . . 4901 1 937 . 1 1 91 91 ARG HD3 H 1 3.42 0.02 . 1 . . . . . . . . 4901 1 938 . 1 1 91 91 ARG CA C 13 60.03 0.25 . 1 . . . . . . . . 4901 1 939 . 1 1 91 91 ARG CB C 13 27.89 0.25 . 1 . . . . . . . . 4901 1 940 . 1 1 91 91 ARG N N 15 119.30 0.1 . 1 . . . . . . . . 4901 1 941 . 1 1 92 92 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 4901 1 942 . 1 1 92 92 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 4901 1 943 . 1 1 92 92 ASP HB2 H 1 2.82 0.02 . 1 . . . . . . . . 4901 1 944 . 1 1 92 92 ASP HB3 H 1 2.64 0.02 . 1 . . . . . . . . 4901 1 945 . 1 1 92 92 ASP CA C 13 57.02 0.25 . 1 . . . . . . . . 4901 1 946 . 1 1 92 92 ASP CB C 13 39.63 0.25 . 1 . . . . . . . . 4901 1 947 . 1 1 92 92 ASP N N 15 119.45 0.1 . 1 . . . . . . . . 4901 1 948 . 1 1 93 93 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 4901 1 949 . 1 1 93 93 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 4901 1 950 . 1 1 93 93 ALA HB1 H 1 1.61 0.02 . 1 . . . . . . . . 4901 1 951 . 1 1 93 93 ALA HB2 H 1 1.61 0.02 . 1 . . . . . . . . 4901 1 952 . 1 1 93 93 ALA HB3 H 1 1.61 0.02 . 1 . . . . . . . . 4901 1 953 . 1 1 93 93 ALA CA C 13 55.16 0.02 . 1 . . . . . . . . 4901 1 954 . 1 1 93 93 ALA CB C 13 17.26 0.02 . 1 . . . . . . . . 4901 1 955 . 1 1 93 93 ALA N N 15 122.72 0.1 . 1 . . . . . . . . 4901 1 956 . 1 1 94 94 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 4901 1 957 . 1 1 94 94 VAL HA H 1 3.50 0.02 . 1 . . . . . . . . 4901 1 958 . 1 1 94 94 VAL HB H 1 2.35 0.02 . 1 . . . . . . . . 4901 1 959 . 1 1 94 94 VAL HG11 H 1 1.23 0.02 . 1 . . . . . . . . 4901 1 960 . 1 1 94 94 VAL HG12 H 1 1.23 0.02 . 1 . . . . . . . . 4901 1 961 . 1 1 94 94 VAL HG13 H 1 1.23 0.02 . 1 . . . . . . . . 4901 1 962 . 1 1 94 94 VAL HG21 H 1 1.08 0.02 . 1 . . . . . . . . 4901 1 963 . 1 1 94 94 VAL HG22 H 1 1.08 0.02 . 1 . . . . . . . . 4901 1 964 . 1 1 94 94 VAL HG23 H 1 1.08 0.02 . 1 . . . . . . . . 4901 1 965 . 1 1 94 94 VAL CA C 13 66.34 0.25 . 1 . . . . . . . . 4901 1 966 . 1 1 94 94 VAL CB C 13 31.55 0.25 . 1 . . . . . . . . 4901 1 967 . 1 1 94 94 VAL CG1 C 13 23.47 0.25 . 1 . . . . . . . . 4901 1 968 . 1 1 94 94 VAL CG2 C 13 25.34 0.25 . 1 . . . . . . . . 4901 1 969 . 1 1 94 94 VAL N N 15 119.35 0.1 . 1 . . . . . . . . 4901 1 970 . 1 1 95 95 LYS H H 1 8.90 0.02 . 1 . . . . . . . . 4901 1 971 . 1 1 95 95 LYS HA H 1 4.70 0.02 . 1 . . . . . . . . 4901 1 972 . 1 1 95 95 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4901 1 973 . 1 1 95 95 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4901 1 974 . 1 1 95 95 LYS HG2 H 1 1.68 0.02 . 1 . . . . . . . . 4901 1 975 . 1 1 95 95 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 4901 1 976 . 1 1 95 95 LYS HD2 H 1 1.87 0.02 . 1 . . . . . . . . 4901 1 977 . 1 1 95 95 LYS HE2 H 1 3.57 0.02 . 1 . . . . . . . . 4901 1 978 . 1 1 95 95 LYS CA C 13 58.26 0.25 . 1 . . . . . . . . 4901 1 979 . 1 1 95 95 LYS CB C 13 32.17 0.25 . 1 . . . . . . . . 4901 1 980 . 1 1 95 95 LYS CG C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 981 . 1 1 95 95 LYS CE C 13 40.25 0.25 . 1 . . . . . . . . 4901 1 982 . 1 1 95 95 LYS N N 15 120.80 0.1 . 1 . . . . . . . . 4901 1 983 . 1 1 96 96 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 4901 1 984 . 1 1 96 96 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 4901 1 985 . 1 1 96 96 ASP HB2 H 1 2.83 0.02 . 1 . . . . . . . . 4901 1 986 . 1 1 96 96 ASP HB3 H 1 2.65 0.02 . 1 . . . . . . . . 4901 1 987 . 1 1 96 96 ASP CA C 13 57.64 0.25 . 1 . . . . . . . . 4901 1 988 . 1 1 96 96 ASP CB C 13 40.15 0.25 . 1 . . . . . . . . 4901 1 989 . 1 1 96 96 ASP N N 15 119.45 0.1 . 1 . . . . . . . . 4901 1 990 . 1 1 97 97 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 4901 1 991 . 1 1 97 97 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 4901 1 992 . 1 1 97 97 LEU HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4901 1 993 . 1 1 97 97 LEU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4901 1 994 . 1 1 97 97 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 4901 1 995 . 1 1 97 97 LEU HD11 H 1 0.98 0.02 . 1 . . . . . . . . 4901 1 996 . 1 1 97 97 LEU HD12 H 1 0.98 0.02 . 1 . . . . . . . . 4901 1 997 . 1 1 97 97 LEU HD13 H 1 0.98 0.02 . 1 . . . . . . . . 4901 1 998 . 1 1 97 97 LEU HD21 H 1 0.98 0.02 . 1 . . . . . . . . 4901 1 999 . 1 1 97 97 LEU HD22 H 1 0.98 0.02 . 1 . . . . . . . . 4901 1 1000 . 1 1 97 97 LEU HD23 H 1 0.98 0.02 . 1 . . . . . . . . 4901 1 1001 . 1 1 97 97 LEU CA C 13 58.26 0.25 . 1 . . . . . . . . 4901 1 1002 . 1 1 97 97 LEU CB C 13 41.49 0.25 . 1 . . . . . . . . 4901 1 1003 . 1 1 97 97 LEU CG C 13 24.78 0.25 . 1 . . . . . . . . 4901 1 1004 . 1 1 97 97 LEU CD1 C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 1005 . 1 1 97 97 LEU CD2 C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 1006 . 1 1 97 97 LEU N N 15 121.08 0.1 . 1 . . . . . . . . 4901 1 1007 . 1 1 98 98 LEU H H 1 9.05 0.02 . 1 . . . . . . . . 4901 1 1008 . 1 1 98 98 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 4901 1 1009 . 1 1 98 98 LEU HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4901 1 1010 . 1 1 98 98 LEU HB3 H 1 0.78 0.02 . 1 . . . . . . . . 4901 1 1011 . 1 1 98 98 LEU HG H 1 1.15 0.02 . 1 . . . . . . . . 4901 1 1012 . 1 1 98 98 LEU HD11 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 1013 . 1 1 98 98 LEU HD12 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 1014 . 1 1 98 98 LEU HD13 H 1 1.00 0.02 . 1 . . . . . . . . 4901 1 1015 . 1 1 98 98 LEU HD21 H 1 0.75 0.02 . 1 . . . . . . . . 4901 1 1016 . 1 1 98 98 LEU HD22 H 1 0.75 0.02 . 1 . . . . . . . . 4901 1 1017 . 1 1 98 98 LEU HD23 H 1 0.75 0.02 . 1 . . . . . . . . 4901 1 1018 . 1 1 98 98 LEU CA C 13 58.88 0.25 . 1 . . . . . . . . 4901 1 1019 . 1 1 98 98 LEU CB C 13 40.87 0.25 . 1 . . . . . . . . 4901 1 1020 . 1 1 98 98 LEU CG C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 1021 . 1 1 98 98 LEU CD1 C 13 23.47 0.25 . 1 . . . . . . . . 4901 1 1022 . 1 1 98 98 LEU CD2 C 13 20.37 0.25 . 1 . . . . . . . . 4901 1 1023 . 1 1 98 98 LEU N N 15 119.35 0.1 . 1 . . . . . . . . 4901 1 1024 . 1 1 99 99 GLN H H 1 8.46 0.02 . 1 . . . . . . . . 4901 1 1025 . 1 1 99 99 GLN HA H 1 4.13 0.02 . 1 . . . . . . . . 4901 1 1026 . 1 1 99 99 GLN HB2 H 1 2.34 0.02 . 1 . . . . . . . . 4901 1 1027 . 1 1 99 99 GLN HB3 H 1 2.20 0.02 . 1 . . . . . . . . 4901 1 1028 . 1 1 99 99 GLN HG2 H 1 2.58 0.02 . 1 . . . . . . . . 4901 1 1029 . 1 1 99 99 GLN HG3 H 1 2.49 0.02 . 1 . . . . . . . . 4901 1 1030 . 1 1 99 99 GLN HE21 H 1 7.19 0.02 . 1 . . . . . . . . 4901 1 1031 . 1 1 99 99 GLN HE22 H 1 6.62 0.02 . 1 . . . . . . . . 4901 1 1032 . 1 1 99 99 GLN CA C 13 58.26 0.25 . 1 . . . . . . . . 4901 1 1033 . 1 1 99 99 GLN CB C 13 28.24 0.25 . 1 . . . . . . . . 4901 1 1034 . 1 1 99 99 GLN CG C 13 33.41 0.25 . 1 . . . . . . . . 4901 1 1035 . 1 1 99 99 GLN N N 15 116.56 0.1 . 1 . . . . . . . . 4901 1 1036 . 1 1 99 99 GLN NE2 N 15 111.26 0.1 . 1 . . . . . . . . 4901 1 1037 . 1 1 100 100 GLN H H 1 7.32 0.02 . 1 . . . . . . . . 4901 1 1038 . 1 1 100 100 GLN HA H 1 4.35 0.02 . 1 . . . . . . . . 4901 1 1039 . 1 1 100 100 GLN HB2 H 1 2.30 0.02 . 1 . . . . . . . . 4901 1 1040 . 1 1 100 100 GLN HB3 H 1 2.30 0.02 . 1 . . . . . . . . 4901 1 1041 . 1 1 100 100 GLN HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4901 1 1042 . 1 1 100 100 GLN HG3 H 1 2.4 0.02 . 1 . . . . . . . . 4901 1 1043 . 1 1 100 100 GLN CA C 13 57.02 0.25 . 1 . . . . . . . . 4901 1 1044 . 1 1 100 100 GLN CB C 13 29.06 0.25 . 1 . . . . . . . . 4901 1 1045 . 1 1 100 100 GLN CG C 13 32.17 0.25 . 1 . . . . . . . . 4901 1 1046 . 1 1 100 100 GLN N N 15 114.49 0.1 . 1 . . . . . . . . 4901 1 1047 . 1 1 101 101 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 4901 1 1048 . 1 1 101 101 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 4901 1 1049 . 1 1 101 101 LEU HB2 H 1 1.17 0.02 . 2 . . . . . . . . 4901 1 1050 . 1 1 101 101 LEU HB3 H 1 0.99 0.02 . 2 . . . . . . . . 4901 1 1051 . 1 1 101 101 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 4901 1 1052 . 1 1 101 101 LEU HD11 H 1 0.82 0.02 . 1 . . . . . . . . 4901 1 1053 . 1 1 101 101 LEU HD12 H 1 0.82 0.02 . 1 . . . . . . . . 4901 1 1054 . 1 1 101 101 LEU HD13 H 1 0.82 0.02 . 1 . . . . . . . . 4901 1 1055 . 1 1 101 101 LEU HD21 H 1 0.69 0.02 . 1 . . . . . . . . 4901 1 1056 . 1 1 101 101 LEU HD22 H 1 0.69 0.02 . 1 . . . . . . . . 4901 1 1057 . 1 1 101 101 LEU HD23 H 1 0.69 0.02 . 1 . . . . . . . . 4901 1 1058 . 1 1 101 101 LEU CA C 13 57.02 0.25 . 1 . . . . . . . . 4901 1 1059 . 1 1 101 101 LEU CB C 13 42.79 0.25 . 1 . . . . . . . . 4901 1 1060 . 1 1 101 101 LEU CG C 13 27.82 0.25 . 1 . . . . . . . . 4901 1 1061 . 1 1 101 101 LEU CD1 C 13 23.47 0.25 . 1 . . . . . . . . 4901 1 1062 . 1 1 101 101 LEU CD2 C 13 25.34 0.25 . 1 . . . . . . . . 4901 1 1063 . 1 1 101 101 LEU N N 15 120.51 0.1 . 1 . . . . . . . . 4901 1 1064 . 1 1 102 102 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 4901 1 1065 . 1 1 102 102 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 4901 1 1066 . 1 1 102 102 LEU HB2 H 1 2.11 0.02 . 1 . . . . . . . . 4901 1 1067 . 1 1 102 102 LEU HB3 H 1 2.11 0.02 . 1 . . . . . . . . 4901 1 1068 . 1 1 102 102 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 4901 1 1069 . 1 1 102 102 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 4901 1 1070 . 1 1 102 102 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 4901 1 1071 . 1 1 102 102 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 4901 1 1072 . 1 1 102 102 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 4901 1 1073 . 1 1 102 102 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 4901 1 1074 . 1 1 102 102 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 4901 1 1075 . 1 1 102 102 LEU CA C 13 60.03 0.25 . 1 . . . . . . . . 4901 1 1076 . 1 1 102 102 LEU CB C 13 37.14 0.25 . 1 . . . . . . . . 4901 1 1077 . 1 1 102 102 LEU CG C 13 24.1 0.25 . 1 . . . . . . . . 4901 1 1078 . 1 1 102 102 LEU CD1 C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 1079 . 1 1 102 102 LEU CD2 C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 1080 . 1 1 102 102 LEU N N 15 116.75 0.1 . 1 . . . . . . . . 4901 1 1081 . 1 1 103 103 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 4901 1 1082 . 1 1 103 103 PRO HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4901 1 1083 . 1 1 103 103 PRO HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4901 1 1084 . 1 1 103 103 PRO HG2 H 1 1.58 0.02 . 2 . . . . . . . . 4901 1 1085 . 1 1 103 103 PRO HG3 H 1 1.49 0.02 . 2 . . . . . . . . 4901 1 1086 . 1 1 103 103 PRO HD2 H 1 3.84 0.02 . 2 . . . . . . . . 4901 1 1087 . 1 1 103 103 PRO HD3 H 1 3.09 0.02 . 2 . . . . . . . . 4901 1 1088 . 1 1 103 103 PRO CA C 13 64.47 0.25 . 1 . . . . . . . . 4901 1 1089 . 1 1 103 103 PRO CB C 13 28.82 0.25 . 1 . . . . . . . . 4901 1 1090 . 1 1 103 103 PRO CG C 13 25.96 0.25 . 1 . . . . . . . . 4901 1 1091 . 1 1 103 103 PRO CD C 13 50.81 0.25 . 1 . . . . . . . . 4901 1 1092 . 1 1 104 104 LYS H H 1 7.18 0.02 . 1 . . . . . . . . 4901 1 1093 . 1 1 104 104 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 4901 1 1094 . 1 1 104 104 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4901 1 1095 . 1 1 104 104 LYS HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4901 1 1096 . 1 1 104 104 LYS HG2 H 1 0.90 0.02 . 1 . . . . . . . . 4901 1 1097 . 1 1 104 104 LYS HG3 H 1 0.90 0.02 . 1 . . . . . . . . 4901 1 1098 . 1 1 104 104 LYS HD2 H 1 1.43 0.02 . 1 . . . . . . . . 4901 1 1099 . 1 1 104 104 LYS HD3 H 1 1.43 0.02 . 1 . . . . . . . . 4901 1 1100 . 1 1 104 104 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 4901 1 1101 . 1 1 104 104 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 4901 1 1102 . 1 1 104 104 LYS CA C 13 58.15 0.25 . 1 . . . . . . . . 4901 1 1103 . 1 1 104 104 LYS CB C 13 32.70 0.25 . 1 . . . . . . . . 4901 1 1104 . 1 1 104 104 LYS CG C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 1105 . 1 1 104 104 LYS CD C 13 24.72 0.25 . 1 . . . . . . . . 4901 1 1106 . 1 1 104 104 LYS CE C 13 40.25 0.25 . 1 . . . . . . . . 4901 1 1107 . 1 1 104 104 LYS N N 15 115.69 0.1 . 1 . . . . . . . . 4901 1 1108 . 1 1 105 105 PHE H H 1 7.44 0.02 . 1 . . . . . . . . 4901 1 1109 . 1 1 105 105 PHE HA H 1 4.56 0.02 . 1 . . . . . . . . 4901 1 1110 . 1 1 105 105 PHE HB2 H 1 2.60 0.02 . 1 . . . . . . . . 4901 1 1111 . 1 1 105 105 PHE HB3 H 1 2.54 0.02 . 1 . . . . . . . . 4901 1 1112 . 1 1 105 105 PHE HD1 H 1 7.52 0.02 . 1 . . . . . . . . 4901 1 1113 . 1 1 105 105 PHE HD2 H 1 7.52 0.02 . 1 . . . . . . . . 4901 1 1114 . 1 1 105 105 PHE HE1 H 1 7.47 0.02 . 1 . . . . . . . . 4901 1 1115 . 1 1 105 105 PHE HE2 H 1 7.47 0.02 . 1 . . . . . . . . 4901 1 1116 . 1 1 105 105 PHE CA C 13 57.64 0.25 . 1 . . . . . . . . 4901 1 1117 . 1 1 105 105 PHE CB C 13 40.87 0.25 . 1 . . . . . . . . 4901 1 1118 . 1 1 105 105 PHE N N 15 114.73 0.1 . 1 . . . . . . . . 4901 1 1119 . 1 1 106 106 LYS H H 1 7.17 0.02 . 1 . . . . . . . . 4901 1 1120 . 1 1 106 106 LYS HA H 1 4.49 0.02 . 1 . . . . . . . . 4901 1 1121 . 1 1 106 106 LYS HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4901 1 1122 . 1 1 106 106 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4901 1 1123 . 1 1 106 106 LYS HG2 H 1 1.65 0.02 . 1 . . . . . . . . 4901 1 1124 . 1 1 106 106 LYS HG3 H 1 1.65 0.02 . 1 . . . . . . . . 4901 1 1125 . 1 1 106 106 LYS HD2 H 1 1.81 0.02 . 1 . . . . . . . . 4901 1 1126 . 1 1 106 106 LYS HD3 H 1 1.81 0.02 . 1 . . . . . . . . 4901 1 1127 . 1 1 106 106 LYS HE2 H 1 3.07 0.02 . 1 . . . . . . . . 4901 1 1128 . 1 1 106 106 LYS HE3 H 1 3.07 0.02 . 1 . . . . . . . . 4901 1 1129 . 1 1 106 106 LYS CA C 13 57.02 0.25 . 1 . . . . . . . . 4901 1 1130 . 1 1 106 106 LYS CB C 13 32.79 0.25 . 1 . . . . . . . . 4901 1 1131 . 1 1 106 106 LYS CG C 13 24.09 0.25 . 1 . . . . . . . . 4901 1 1132 . 1 1 106 106 LYS CD C 13 28.44 0.25 . 1 . . . . . . . . 4901 1 1133 . 1 1 106 106 LYS CE C 13 39.00 0.25 . 1 . . . . . . . . 4901 1 1134 . 1 1 106 106 LYS N N 15 120.70 0.1 . 1 . . . . . . . . 4901 1 1135 . 1 1 107 107 ARG H H 1 8.75 0.02 . 1 . . . . . . . . 4901 1 1136 . 1 1 107 107 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 4901 1 1137 . 1 1 107 107 ARG HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4901 1 1138 . 1 1 107 107 ARG HB3 H 1 1.78 0.02 . 1 . . . . . . . . 4901 1 1139 . 1 1 107 107 ARG HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4901 1 1140 . 1 1 107 107 ARG HG3 H 1 1.49 0.02 . 1 . . . . . . . . 4901 1 1141 . 1 1 107 107 ARG HD2 H 1 3.10 0.02 . 1 . . . . . . . . 4901 1 1142 . 1 1 107 107 ARG HD3 H 1 3.10 0.02 . 1 . . . . . . . . 4901 1 1143 . 1 1 107 107 ARG CA C 13 55.60 0.25 . 1 . . . . . . . . 4901 1 1144 . 1 1 107 107 ARG CB C 13 30.93 0.25 . 1 . . . . . . . . 4901 1 1145 . 1 1 107 107 ARG CG C 13 24.78 0.25 . 1 . . . . . . . . 4901 1 1146 . 1 1 107 107 ARG CD C 13 42.11 0.25 . 1 . . . . . . . . 4901 1 1147 . 1 1 107 107 ARG N N 15 125.03 0.1 . 1 . . . . . . . . 4901 1 1148 . 1 1 108 108 LYS H H 1 8.62 0.02 . 1 . . . . . . . . 4901 1 1149 . 1 1 108 108 LYS N N 15 123.2 0.1 . 1 . . . . . . . . 4901 1 1150 . 1 1 109 109 ALA H H 1 8.64 0.02 . 1 . . . . . . . . 4901 1 1151 . 1 1 109 109 ALA CA C 13 44.22 0.25 . 1 . . . . . . . . 4901 1 1152 . 1 1 109 109 ALA CB C 13 24.82 0.25 . 1 . . . . . . . . 4901 1 1153 . 1 1 109 109 ALA N N 15 134.61 0.1 . 1 . . . . . . . . 4901 1 stop_ save_