data_4312 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4312 _Entry.Title ; 1H, 15N and 13C Resonance Assignments for the Bromodomain of the Histone Acetyltransferase hsP/CAF ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-02-28 _Entry.Accession_date 1999-03-01 _Entry.Last_release_date 1999-03-03 _Entry.Original_release_date 1999-03-03 _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 Christophe Dhalluin . . . 4312 2 Justin Carlson . . . 4312 3 Lei Zeng . . . 4312 4 Cheng He . . . 4312 5 Aneel Aggarwal . K. . 4312 6 Ming-Ming Zhou . . . 4312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 4312 '15N chemical shifts' 107 4312 '1H chemical shifts' 708 4312 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 . . 1999-03-03 1999-02-28 original author . 4312 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4312 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Dhalluin, C., Carlson, J., Zeng, L., He, C., Aggarwal, A. K., and Zhou, M-M., "1H, 15N and 13C Resonance Assignments for the Bromodomain of the Histone Acetyltransferase hsP/CAF," J. Biomol. NMR, in preparation. ; _Citation.Title ; 1H, 15N and 13C Resonance Assignments for the Bromodomain of the Histone Acetyltransferase hsP/CAF ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 Christophe Dhalluin . . . 4312 1 2 Justin Carlson . . . 4312 1 3 Lei Zeng . . . 4312 1 4 Cheng He . . . 4312 1 5 Aneel Aggarwal . K. . 4312 1 6 Ming-Ming Zhou . . . 4312 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'histone acetyltransferase bromodomain' 4312 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4312 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F., Grzesiek, S., Vuister, G. W., Zhu, G. Pfeifer, J. and Bax, A (1995) J. Biomol. NMR 6, 277-293. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F Delaglio F. . . 4312 2 2 S Grzesiek S. . . 4312 2 3 'G W' Vuister G. W. . 4312 2 4 G Zhu G. . . 4312 2 5 J Pfeifer J. . . 4312 2 6 A Bax A. . . 4312 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4312 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Johnson, B. A. and Blevins, R. A. (1994) J. Biomol. NMR 4, 603-614.' _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 4312 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8684459 _Citation.Full_citation 'X.J.Yang,V.V.Ogryzko,J.I.Nishikawa,B.H.Howard,Y.Nakatani, Nature (1996) 382, 319.' _Citation.Title 'A p300/CBP-associated factor that competes with the adenoviral oncoprotein E1A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 382 _Citation.Journal_issue 6589 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0028-0836 _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 319 _Citation.Page_last 324 _Citation.Year 1996 _Citation.Details ; The adenoviral oncoprotein E1A induces progression through the cell cycle by binding to the products of the p300/CBP and retinoblastoma gene families. A new cellular p300/CBP-associated factor (P/CAF) having intrinsic histone acetylase activity has been identified that competes with E1A. Exogenous expression of P/CAF in HeLa cells inhibits cell-cycle progression and counteracts the mitogenic activity of E1A. E1A disturbs the normal cellular interaction between p300/CBP and its associated histone acetylase. ; 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 'X J' Yang X. J. . 4312 4 2 'V V' Ogryzko V. V. . 4312 4 3 J Nishikawa J. . . 4312 4 4 'B H' Howard B. H. . 4312 4 5 Y Nakatani Y. . . 4312 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_brd _Assembly.Sf_category assembly _Assembly.Sf_framecode brd _Assembly.Entry_ID 4312 _Assembly.ID 1 _Assembly.Name bromodomain _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.3.1.48 _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 4312 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 'brd subunit 1' 1 $brd_monomer . . . native . . . . . 4312 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1B91 . 'A Chain A, Nmr Structure Of A Histone Acetyltranferase Bromodomain' . . . . 4312 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID brd abbreviation 4312 1 bromodomain system 4312 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'histone acetylated lysine recognition' 4312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_brd_monomer _Entity.Sf_category entity _Entity.Sf_framecode brd_monomer _Entity.Entry_ID 4312 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'histone acetyltransferase bromodomain' _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 ; GSHMSKEPRDPDQLYSTLKS ILQQVKSHQSAWPFMEPVKR TEAPGYYEVIRSPMDLKTMS ERLKNRYYVSKKLFMADLQR VFTNCKEYNAPESEYYKCAN ILEKFFFSKIKEAGLIDK ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first 4 residues (GSHM) do not belong to the protein. First residue (Ser 719), last residue (Lys 832) No disulfides exist in the molecule ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JM4 . "Nmr Structure Of PCAF BROMODOMAIN IN COMPLEX WITH HIV-1 Tat Peptide" . . . . . 100.00 118 98.31 98.31 2.39e-79 . . . . 4312 1 2 no PDB 1N72 . "Structure And Ligand Of A Histone Acetyltransferase Bromodomain" . . . . . 100.00 118 98.31 98.31 2.39e-79 . . . . 4312 1 3 no PDB 1WUG . "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np1" . . . . . 100.00 118 98.31 98.31 2.39e-79 . . . . 4312 1 4 no PDB 1WUM . "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np2" . . . . . 100.00 118 98.31 98.31 2.39e-79 . . . . 4312 1 5 no PDB 1ZS5 . "Structure-Based Evaluation Of Selective And Non-Selective Small Molecules That Block Hiv-1 Tat And Pcaf Association" . . . . . 100.00 118 98.31 98.31 2.39e-79 . . . . 4312 1 6 no PDB 2RNW . "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" . . . . . 100.00 118 98.31 98.31 2.39e-79 . . . . 4312 1 7 no PDB 2RNX . "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" . . . . . 100.00 118 98.31 98.31 2.39e-79 . . . . 4312 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID brd abbreviation 4312 1 'histone acetyltransferase bromodomain' common 4312 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 -4 GLY . 4312 1 2 -3 SER . 4312 1 3 -2 HIS . 4312 1 4 -1 MET . 4312 1 5 719 SER . 4312 1 6 720 LYS . 4312 1 7 721 GLU . 4312 1 8 722 PRO . 4312 1 9 723 ARG . 4312 1 10 724 ASP . 4312 1 11 725 PRO . 4312 1 12 726 ASP . 4312 1 13 727 GLN . 4312 1 14 728 LEU . 4312 1 15 729 TYR . 4312 1 16 730 SER . 4312 1 17 731 THR . 4312 1 18 732 LEU . 4312 1 19 733 LYS . 4312 1 20 734 SER . 4312 1 21 735 ILE . 4312 1 22 736 LEU . 4312 1 23 737 GLN . 4312 1 24 738 GLN . 4312 1 25 739 VAL . 4312 1 26 740 LYS . 4312 1 27 741 SER . 4312 1 28 742 HIS . 4312 1 29 743 GLN . 4312 1 30 744 SER . 4312 1 31 745 ALA . 4312 1 32 746 TRP . 4312 1 33 747 PRO . 4312 1 34 748 PHE . 4312 1 35 749 MET . 4312 1 36 750 GLU . 4312 1 37 751 PRO . 4312 1 38 752 VAL . 4312 1 39 753 LYS . 4312 1 40 754 ARG . 4312 1 41 755 THR . 4312 1 42 756 GLU . 4312 1 43 757 ALA . 4312 1 44 758 PRO . 4312 1 45 759 GLY . 4312 1 46 760 TYR . 4312 1 47 761 TYR . 4312 1 48 762 GLU . 4312 1 49 763 VAL . 4312 1 50 764 ILE . 4312 1 51 765 ARG . 4312 1 52 766 SER . 4312 1 53 767 PRO . 4312 1 54 768 MET . 4312 1 55 769 ASP . 4312 1 56 770 LEU . 4312 1 57 771 LYS . 4312 1 58 772 THR . 4312 1 59 773 MET . 4312 1 60 774 SER . 4312 1 61 775 GLU . 4312 1 62 776 ARG . 4312 1 63 777 LEU . 4312 1 64 778 LYS . 4312 1 65 779 ASN . 4312 1 66 780 ARG . 4312 1 67 781 TYR . 4312 1 68 782 TYR . 4312 1 69 783 VAL . 4312 1 70 784 SER . 4312 1 71 785 LYS . 4312 1 72 786 LYS . 4312 1 73 787 LEU . 4312 1 74 788 PHE . 4312 1 75 789 MET . 4312 1 76 790 ALA . 4312 1 77 791 ASP . 4312 1 78 792 LEU . 4312 1 79 793 GLN . 4312 1 80 794 ARG . 4312 1 81 795 VAL . 4312 1 82 796 PHE . 4312 1 83 797 THR . 4312 1 84 798 ASN . 4312 1 85 799 CYS . 4312 1 86 800 LYS . 4312 1 87 801 GLU . 4312 1 88 802 TYR . 4312 1 89 803 ASN . 4312 1 90 804 ALA . 4312 1 91 805 PRO . 4312 1 92 806 GLU . 4312 1 93 807 SER . 4312 1 94 808 GLU . 4312 1 95 809 TYR . 4312 1 96 810 TYR . 4312 1 97 811 LYS . 4312 1 98 812 CYS . 4312 1 99 813 ALA . 4312 1 100 814 ASN . 4312 1 101 815 ILE . 4312 1 102 816 LEU . 4312 1 103 817 GLU . 4312 1 104 818 LYS . 4312 1 105 819 PHE . 4312 1 106 820 PHE . 4312 1 107 821 PHE . 4312 1 108 822 SER . 4312 1 109 823 LYS . 4312 1 110 824 ILE . 4312 1 111 825 LYS . 4312 1 112 826 GLU . 4312 1 113 827 ALA . 4312 1 114 828 GLY . 4312 1 115 829 LEU . 4312 1 116 830 ILE . 4312 1 117 831 ASP . 4312 1 118 832 LYS . 4312 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 4312 1 . SER 2 2 4312 1 . HIS 3 3 4312 1 . MET 4 4 4312 1 . SER 5 5 4312 1 . LYS 6 6 4312 1 . GLU 7 7 4312 1 . PRO 8 8 4312 1 . ARG 9 9 4312 1 . ASP 10 10 4312 1 . PRO 11 11 4312 1 . ASP 12 12 4312 1 . GLN 13 13 4312 1 . LEU 14 14 4312 1 . TYR 15 15 4312 1 . SER 16 16 4312 1 . THR 17 17 4312 1 . LEU 18 18 4312 1 . LYS 19 19 4312 1 . SER 20 20 4312 1 . ILE 21 21 4312 1 . LEU 22 22 4312 1 . GLN 23 23 4312 1 . GLN 24 24 4312 1 . VAL 25 25 4312 1 . LYS 26 26 4312 1 . SER 27 27 4312 1 . HIS 28 28 4312 1 . GLN 29 29 4312 1 . SER 30 30 4312 1 . ALA 31 31 4312 1 . TRP 32 32 4312 1 . PRO 33 33 4312 1 . PHE 34 34 4312 1 . MET 35 35 4312 1 . GLU 36 36 4312 1 . PRO 37 37 4312 1 . VAL 38 38 4312 1 . LYS 39 39 4312 1 . ARG 40 40 4312 1 . THR 41 41 4312 1 . GLU 42 42 4312 1 . ALA 43 43 4312 1 . PRO 44 44 4312 1 . GLY 45 45 4312 1 . TYR 46 46 4312 1 . TYR 47 47 4312 1 . GLU 48 48 4312 1 . VAL 49 49 4312 1 . ILE 50 50 4312 1 . ARG 51 51 4312 1 . SER 52 52 4312 1 . PRO 53 53 4312 1 . MET 54 54 4312 1 . ASP 55 55 4312 1 . LEU 56 56 4312 1 . LYS 57 57 4312 1 . THR 58 58 4312 1 . MET 59 59 4312 1 . SER 60 60 4312 1 . GLU 61 61 4312 1 . ARG 62 62 4312 1 . LEU 63 63 4312 1 . LYS 64 64 4312 1 . ASN 65 65 4312 1 . ARG 66 66 4312 1 . TYR 67 67 4312 1 . TYR 68 68 4312 1 . VAL 69 69 4312 1 . SER 70 70 4312 1 . LYS 71 71 4312 1 . LYS 72 72 4312 1 . LEU 73 73 4312 1 . PHE 74 74 4312 1 . MET 75 75 4312 1 . ALA 76 76 4312 1 . ASP 77 77 4312 1 . LEU 78 78 4312 1 . GLN 79 79 4312 1 . ARG 80 80 4312 1 . VAL 81 81 4312 1 . PHE 82 82 4312 1 . THR 83 83 4312 1 . ASN 84 84 4312 1 . CYS 85 85 4312 1 . LYS 86 86 4312 1 . GLU 87 87 4312 1 . TYR 88 88 4312 1 . ASN 89 89 4312 1 . ALA 90 90 4312 1 . PRO 91 91 4312 1 . GLU 92 92 4312 1 . SER 93 93 4312 1 . GLU 94 94 4312 1 . TYR 95 95 4312 1 . TYR 96 96 4312 1 . LYS 97 97 4312 1 . CYS 98 98 4312 1 . ALA 99 99 4312 1 . ASN 100 100 4312 1 . ILE 101 101 4312 1 . LEU 102 102 4312 1 . GLU 103 103 4312 1 . LYS 104 104 4312 1 . PHE 105 105 4312 1 . PHE 106 106 4312 1 . PHE 107 107 4312 1 . SER 108 108 4312 1 . LYS 109 109 4312 1 . ILE 110 110 4312 1 . LYS 111 111 4312 1 . GLU 112 112 4312 1 . ALA 113 113 4312 1 . GLY 114 114 4312 1 . LEU 115 115 4312 1 . ILE 116 116 4312 1 . ASP 117 117 4312 1 . LYS 118 118 4312 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 4312 _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 $brd_monomer . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . cytoplasm . . . . . . . . 4312 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 4312 _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 $brd_monomer . 'recombinant technology' 'Escherichia coli' 'E. Coli' . . Escherichia coli . . . . . . BL21(DE3) . . . . . . plasmid . . pET14b . . . . . . 4312 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4312 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'histone acetyltransferase bromodomain' '[U-13C; U-15N; U-75% 2H]' . . 1 $brd_monomer . . 1.0 . . mM . . . . 4312 1 2 'phosphate buffer' . . . . . . . 100 . . mM . . . . 4312 1 3 'perdeuterated DTT' . . . . . . . 5 . . mM . . . . 4312 1 4 EDTA . . . . . . . 0.5 . . mM . . . . 4312 1 5 H2O . . . . . . . 90 . . % . . . . 4312 1 6 D2O . . . . . . . 10 . . % . . . . 4312 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4312 _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 'histone acetyltransferase bromodomain' '[U-13C; U-15N]' . . 1 $brd_monomer . . 1.0 . . mM . . . . 4312 2 2 'phosphate buffer' . . . . . . . 100 . . mM . . . . 4312 2 3 'perdeuterated DTT' . . . . . . . 5 . . mM . . . . 4312 2 4 EDTA . . . . . . . 0.5 . . mM . . . . 4312 2 5 H2O . . . . . . . 90 . . % . . . . 4312 2 6 D2O . . . . . . . 10 . . % . . . . 4312 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4312 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 na 4312 1 temperature 303 0.1 K 4312 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4312 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra Processing' 4312 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 4312 1 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 4312 _Software.ID 2 _Software.Name NMRVIEW _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra analysis' 4312 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 4312 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4312 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4312 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4312 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 4312 1 2 spectrometer_2 Bruker DRX . 600 . . . 4312 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 4312 _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 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 3 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 4 '3D HN(CO)CACB' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 5 '3D (H)C(CO)NH-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 6 '3D HNHA' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 7 '3D HCCH TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 8 '15N edited TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 9 '15N edited NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 10 '13C edited NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4312 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4312 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4312 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 4312 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4312 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 4312 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $sample_2 . 4312 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 6 6 LYS HA H 1 4.36 . . 1 . . . . . . . . 4312 1 2 . 1 1 6 6 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 4312 1 3 . 1 1 6 6 LYS HB3 H 1 1.88 . . 1 . . . . . . . . 4312 1 4 . 1 1 6 6 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4312 1 5 . 1 1 6 6 LYS HG3 H 1 1.58 . . 1 . . . . . . . . 4312 1 6 . 1 1 6 6 LYS HD3 H 1 1.70 . . 1 . . . . . . . . 4312 1 7 . 1 1 6 6 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4312 1 8 . 1 1 6 6 LYS CA C 13 56.30 . . 1 . . . . . . . . 4312 1 9 . 1 1 6 6 LYS CB C 13 33.14 . . 1 . . . . . . . . 4312 1 10 . 1 1 6 6 LYS CG C 13 25.43 . . 1 . . . . . . . . 4312 1 11 . 1 1 6 6 LYS CD C 13 29.83 . . 1 . . . . . . . . 4312 1 12 . 1 1 6 6 LYS CE C 13 41.96 . . 1 . . . . . . . . 4312 1 13 . 1 1 7 7 GLU H H 1 8.32 . . 1 . . . . . . . . 4312 1 14 . 1 1 7 7 GLU HA H 1 4.54 . . 1 . . . . . . . . 4312 1 15 . 1 1 7 7 GLU HB2 H 1 1.89 . . 1 . . . . . . . . 4312 1 16 . 1 1 7 7 GLU HB3 H 1 2.02 . . 1 . . . . . . . . 4312 1 17 . 1 1 7 7 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 4312 1 18 . 1 1 7 7 GLU CA C 13 54.62 . . 1 . . . . . . . . 4312 1 19 . 1 1 7 7 GLU CB C 13 29.83 . . 1 . . . . . . . . 4312 1 20 . 1 1 7 7 GLU CG C 13 35.89 . . 1 . . . . . . . . 4312 1 21 . 1 1 7 7 GLU N N 15 122.99 . . 1 . . . . . . . . 4312 1 22 . 1 1 8 8 PRO HA H 1 4.39 . . 1 . . . . . . . . 4312 1 23 . 1 1 8 8 PRO HB2 H 1 1.88 . . 1 . . . . . . . . 4312 1 24 . 1 1 8 8 PRO HB3 H 1 2.22 . . 1 . . . . . . . . 4312 1 25 . 1 1 8 8 PRO HG3 H 1 2.03 . . 1 . . . . . . . . 4312 1 26 . 1 1 8 8 PRO HD2 H 1 3.66 . . 1 . . . . . . . . 4312 1 27 . 1 1 8 8 PRO HD3 H 1 3.80 . . 1 . . . . . . . . 4312 1 28 . 1 1 8 8 PRO CA C 13 63.43 . . 1 . . . . . . . . 4312 1 29 . 1 1 8 8 PRO CB C 13 32.03 . . 1 . . . . . . . . 4312 1 30 . 1 1 8 8 PRO CG C 13 27.63 . . 1 . . . . . . . . 4312 1 31 . 1 1 8 8 PRO CD C 13 50.76 . . 1 . . . . . . . . 4312 1 32 . 1 1 9 9 ARG H H 1 8.42 . . 1 . . . . . . . . 4312 1 33 . 1 1 9 9 ARG HA H 1 4.33 . . 1 . . . . . . . . 4312 1 34 . 1 1 9 9 ARG HB2 H 1 1.76 . . 1 . . . . . . . . 4312 1 35 . 1 1 9 9 ARG HB3 H 1 1.81 . . 1 . . . . . . . . 4312 1 36 . 1 1 9 9 ARG HG3 H 1 1.68 . . 1 . . . . . . . . 4312 1 37 . 1 1 9 9 ARG HD3 H 1 3.16 . . 1 . . . . . . . . 4312 1 38 . 1 1 9 9 ARG CA C 13 63.43 . . 1 . . . . . . . . 4312 1 39 . 1 1 9 9 ARG CB C 13 30.93 . . 1 . . . . . . . . 4312 1 40 . 1 1 9 9 ARG CG C 13 27.63 . . 1 . . . . . . . . 4312 1 41 . 1 1 9 9 ARG CD C 13 43.60 . . 1 . . . . . . . . 4312 1 42 . 1 1 9 9 ARG N N 15 121.19 . . 1 . . . . . . . . 4312 1 43 . 1 1 10 10 ASP H H 1 8.27 . . 1 . . . . . . . . 4312 1 44 . 1 1 10 10 ASP HA H 1 4.87 . . 1 . . . . . . . . 4312 1 45 . 1 1 10 10 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4312 1 46 . 1 1 10 10 ASP HB3 H 1 2.75 . . 1 . . . . . . . . 4312 1 47 . 1 1 10 10 ASP CA C 13 52.41 . . 1 . . . . . . . . 4312 1 48 . 1 1 10 10 ASP CB C 13 41.40 . . 1 . . . . . . . . 4312 1 49 . 1 1 10 10 ASP N N 15 122.01 . . 1 . . . . . . . . 4312 1 50 . 1 1 11 11 PRO HA H 1 4.33 . . 1 . . . . . . . . 4312 1 51 . 1 1 11 11 PRO HB2 H 1 1.97 . . 1 . . . . . . . . 4312 1 52 . 1 1 11 11 PRO HB3 H 1 2.33 . . 1 . . . . . . . . 4312 1 53 . 1 1 11 11 PRO HG3 H 1 2.03 . . 1 . . . . . . . . 4312 1 54 . 1 1 11 11 PRO HD3 H 1 3.87 . . 1 . . . . . . . . 4312 1 55 . 1 1 11 11 PRO CA C 13 65.08 . . 1 . . . . . . . . 4312 1 56 . 1 1 11 11 PRO CB C 13 32.59 . . 1 . . . . . . . . 4312 1 57 . 1 1 11 11 PRO CG C 13 27.63 . . 1 . . . . . . . . 4312 1 58 . 1 1 11 11 PRO CD C 13 51.31 . . 1 . . . . . . . . 4312 1 59 . 1 1 12 12 ASP H H 1 8.40 . . 1 . . . . . . . . 4312 1 60 . 1 1 12 12 ASP HA H 1 4.69 . . 1 . . . . . . . . 4312 1 61 . 1 1 12 12 ASP HB2 H 1 2.73 . . 1 . . . . . . . . 4312 1 62 . 1 1 12 12 ASP HB3 H 1 2.79 . . 1 . . . . . . . . 4312 1 63 . 1 1 12 12 ASP CA C 13 55.72 . . 1 . . . . . . . . 4312 1 64 . 1 1 12 12 ASP CB C 13 40.55 . . 1 . . . . . . . . 4312 1 65 . 1 1 12 12 ASP N N 15 119.72 . . 1 . . . . . . . . 4312 1 66 . 1 1 13 13 GLN H H 1 8.20 . . 1 . . . . . . . . 4312 1 67 . 1 1 13 13 GLN HA H 1 4.16 . . 1 . . . . . . . . 4312 1 68 . 1 1 13 13 GLN HB3 H 1 2.15 . . 1 . . . . . . . . 4312 1 69 . 1 1 13 13 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 4312 1 70 . 1 1 13 13 GLN HG3 H 1 2.52 . . 1 . . . . . . . . 4312 1 71 . 1 1 13 13 GLN CA C 13 55.92 . . 1 . . . . . . . . 4312 1 72 . 1 1 13 13 GLN CB C 13 28.73 . . 1 . . . . . . . . 4312 1 73 . 1 1 13 13 GLN CG C 13 34.24 . . 1 . . . . . . . . 4312 1 74 . 1 1 13 13 GLN N N 15 121.36 . . 1 . . . . . . . . 4312 1 75 . 1 1 14 14 LEU H H 1 8.21 . . 1 . . . . . . . . 4312 1 76 . 1 1 14 14 LEU HA H 1 4.04 . . 1 . . . . . . . . 4312 1 77 . 1 1 14 14 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 4312 1 78 . 1 1 14 14 LEU HB3 H 1 1.85 . . 1 . . . . . . . . 4312 1 79 . 1 1 14 14 LEU HG H 1 1.48 . . 1 . . . . . . . . 4312 1 80 . 1 1 14 14 LEU HD11 H 1 0.79 . . 1 . . . . . . . . 4312 1 81 . 1 1 14 14 LEU HD12 H 1 0.79 . . 1 . . . . . . . . 4312 1 82 . 1 1 14 14 LEU HD13 H 1 0.79 . . 1 . . . . . . . . 4312 1 83 . 1 1 14 14 LEU HD21 H 1 0.79 . . 1 . . . . . . . . 4312 1 84 . 1 1 14 14 LEU HD22 H 1 0.79 . . 1 . . . . . . . . 4312 1 85 . 1 1 14 14 LEU HD23 H 1 0.79 . . 1 . . . . . . . . 4312 1 86 . 1 1 14 14 LEU CA C 13 58.47 . . 1 . . . . . . . . 4312 1 87 . 1 1 14 14 LEU CB C 13 41.40 . . 1 . . . . . . . . 4312 1 88 . 1 1 14 14 LEU CG C 13 27.08 . . 1 . . . . . . . . 4312 1 89 . 1 1 14 14 LEU CD1 C 13 25.97 . . 1 . . . . . . . . 4312 1 90 . 1 1 14 14 LEU CD2 C 13 23.23 . . 1 . . . . . . . . 4312 1 91 . 1 1 14 14 LEU N N 15 121.36 . . 1 . . . . . . . . 4312 1 92 . 1 1 15 15 TYR H H 1 8.02 . . 1 . . . . . . . . 4312 1 93 . 1 1 15 15 TYR HA H 1 4.04 . . 1 . . . . . . . . 4312 1 94 . 1 1 15 15 TYR HB2 H 1 3.02 . . 1 . . . . . . . . 4312 1 95 . 1 1 15 15 TYR HB3 H 1 3.21 . . 1 . . . . . . . . 4312 1 96 . 1 1 15 15 TYR HD1 H 1 7.05 . . 3 . . . . . . . . 4312 1 97 . 1 1 15 15 TYR HE1 H 1 6.88 . . 3 . . . . . . . . 4312 1 98 . 1 1 15 15 TYR CA C 13 62.32 . . 1 . . . . . . . . 4312 1 99 . 1 1 15 15 TYR CB C 13 38.64 . . 1 . . . . . . . . 4312 1 100 . 1 1 15 15 TYR CD1 C 13 134.35 . . 3 . . . . . . . . 4312 1 101 . 1 1 15 15 TYR CE1 C 13 119.48 . . 3 . . . . . . . . 4312 1 102 . 1 1 15 15 TYR N N 15 119.06 . . 1 . . . . . . . . 4312 1 103 . 1 1 16 16 SER H H 1 8.17 . . 1 . . . . . . . . 4312 1 104 . 1 1 16 16 SER HA H 1 3.92 . . 1 . . . . . . . . 4312 1 105 . 1 1 16 16 SER HB3 H 1 4.00 . . 1 . . . . . . . . 4312 1 106 . 1 1 16 16 SER N N 15 112.17 . . 1 . . . . . . . . 4312 1 107 . 1 1 17 17 THR H H 1 8.06 . . 1 . . . . . . . . 4312 1 108 . 1 1 17 17 THR HA H 1 3.92 . . 1 . . . . . . . . 4312 1 109 . 1 1 17 17 THR HB H 1 4.25 . . 1 . . . . . . . . 4312 1 110 . 1 1 17 17 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4312 1 111 . 1 1 17 17 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4312 1 112 . 1 1 17 17 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4312 1 113 . 1 1 17 17 THR CA C 13 66.73 . . 1 . . . . . . . . 4312 1 114 . 1 1 17 17 THR CB C 13 68.93 . . 1 . . . . . . . . 4312 1 115 . 1 1 17 17 THR CG2 C 13 21.57 . . 1 . . . . . . . . 4312 1 116 . 1 1 17 17 THR N N 15 120.37 . . 1 . . . . . . . . 4312 1 117 . 1 1 18 18 LEU H H 1 8.46 . . 1 . . . . . . . . 4312 1 118 . 1 1 18 18 LEU HA H 1 3.29 . . 1 . . . . . . . . 4312 1 119 . 1 1 18 18 LEU HB2 H 1 0.29 . . 1 . . . . . . . . 4312 1 120 . 1 1 18 18 LEU HB3 H 1 1.53 . . 1 . . . . . . . . 4312 1 121 . 1 1 18 18 LEU HG H 1 1.68 . . 1 . . . . . . . . 4312 1 122 . 1 1 18 18 LEU HD11 H 1 0.47 . . 1 . . . . . . . . 4312 1 123 . 1 1 18 18 LEU HD12 H 1 0.47 . . 1 . . . . . . . . 4312 1 124 . 1 1 18 18 LEU HD13 H 1 0.47 . . 1 . . . . . . . . 4312 1 125 . 1 1 18 18 LEU HD21 H 1 -0.19 . . 1 . . . . . . . . 4312 1 126 . 1 1 18 18 LEU HD22 H 1 -0.19 . . 1 . . . . . . . . 4312 1 127 . 1 1 18 18 LEU HD23 H 1 -0.19 . . 1 . . . . . . . . 4312 1 128 . 1 1 18 18 LEU CA C 13 57.92 . . 1 . . . . . . . . 4312 1 129 . 1 1 18 18 LEU CB C 13 39.75 . . 1 . . . . . . . . 4312 1 130 . 1 1 18 18 LEU CG C 13 24.88 . . 1 . . . . . . . . 4312 1 131 . 1 1 18 18 LEU CD1 C 13 25.43 . . 1 . . . . . . . . 4312 1 132 . 1 1 18 18 LEU CD2 C 13 19.92 . . 1 . . . . . . . . 4312 1 133 . 1 1 18 18 LEU N N 15 120.54 . . 1 . . . . . . . . 4312 1 134 . 1 1 19 19 LYS H H 1 8.56 . . 1 . . . . . . . . 4312 1 135 . 1 1 19 19 LYS HA H 1 3.68 . . 1 . . . . . . . . 4312 1 136 . 1 1 19 19 LYS HB2 H 1 1.36 . . 1 . . . . . . . . 4312 1 137 . 1 1 19 19 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 4312 1 138 . 1 1 19 19 LYS HG3 H 1 1.28 . . 1 . . . . . . . . 4312 1 139 . 1 1 19 19 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 4312 1 140 . 1 1 19 19 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4312 1 141 . 1 1 19 19 LYS CA C 13 60.12 . . 1 . . . . . . . . 4312 1 142 . 1 1 19 19 LYS CB C 13 32.59 . . 1 . . . . . . . . 4312 1 143 . 1 1 19 19 LYS CG C 13 24.88 . . 1 . . . . . . . . 4312 1 144 . 1 1 19 19 LYS CD C 13 29.84 . . 1 . . . . . . . . 4312 1 145 . 1 1 19 19 LYS CE C 13 41.96 . . 1 . . . . . . . . 4312 1 146 . 1 1 19 19 LYS N N 15 118.57 . . 1 . . . . . . . . 4312 1 147 . 1 1 20 20 SER H H 1 7.54 . . 1 . . . . . . . . 4312 1 148 . 1 1 20 20 SER HA H 1 4.28 . . 1 . . . . . . . . 4312 1 149 . 1 1 20 20 SER HB3 H 1 4.06 . . 1 . . . . . . . . 4312 1 150 . 1 1 20 20 SER CA C 13 61.23 . . 1 . . . . . . . . 4312 1 151 . 1 1 20 20 SER CB C 13 63.88 . . 1 . . . . . . . . 4312 1 152 . 1 1 20 20 SER N N 15 113.16 . . 1 . . . . . . . . 4312 1 153 . 1 1 21 21 ILE H H 1 7.95 . . 1 . . . . . . . . 4312 1 154 . 1 1 21 21 ILE HA H 1 3.79 . . 1 . . . . . . . . 4312 1 155 . 1 1 21 21 ILE HB H 1 1.88 . . 1 . . . . . . . . 4312 1 156 . 1 1 21 21 ILE HG12 H 1 1.05 . . 1 . . . . . . . . 4312 1 157 . 1 1 21 21 ILE HG13 H 1 1.75 . . 1 . . . . . . . . 4312 1 158 . 1 1 21 21 ILE HG21 H 1 1.00 . . 1 . . . . . . . . 4312 1 159 . 1 1 21 21 ILE HG22 H 1 1.00 . . 1 . . . . . . . . 4312 1 160 . 1 1 21 21 ILE HG23 H 1 1.00 . . 1 . . . . . . . . 4312 1 161 . 1 1 21 21 ILE HD11 H 1 0.62 . . 1 . . . . . . . . 4312 1 162 . 1 1 21 21 ILE HD12 H 1 0.62 . . 1 . . . . . . . . 4312 1 163 . 1 1 21 21 ILE HD13 H 1 0.62 . . 1 . . . . . . . . 4312 1 164 . 1 1 21 21 ILE CA C 13 65.08 . . 1 . . . . . . . . 4312 1 165 . 1 1 21 21 ILE CB C 13 38.09 . . 1 . . . . . . . . 4312 1 166 . 1 1 21 21 ILE CG1 C 13 28.73 . . 1 . . . . . . . . 4312 1 167 . 1 1 21 21 ILE CG2 C 13 17.17 . . 1 . . . . . . . . 4312 1 168 . 1 1 21 21 ILE CD1 C 13 13.86 . . 1 . . . . . . . . 4312 1 169 . 1 1 21 21 ILE N N 15 120.70 . . 1 . . . . . . . . 4312 1 170 . 1 1 22 22 LEU H H 1 8.84 . . 1 . . . . . . . . 4312 1 171 . 1 1 22 22 LEU HA H 1 4.09 . . 1 . . . . . . . . 4312 1 172 . 1 1 22 22 LEU HB2 H 1 1.70 . . 1 . . . . . . . . 4312 1 173 . 1 1 22 22 LEU HB3 H 1 2.09 . . 1 . . . . . . . . 4312 1 174 . 1 1 22 22 LEU HG H 1 1.76 . . 1 . . . . . . . . 4312 1 175 . 1 1 22 22 LEU HD11 H 1 1.06 . . 1 . . . . . . . . 4312 1 176 . 1 1 22 22 LEU HD12 H 1 1.06 . . 1 . . . . . . . . 4312 1 177 . 1 1 22 22 LEU HD13 H 1 1.06 . . 1 . . . . . . . . 4312 1 178 . 1 1 22 22 LEU HD21 H 1 0.98 . . 1 . . . . . . . . 4312 1 179 . 1 1 22 22 LEU HD22 H 1 0.98 . . 1 . . . . . . . . 4312 1 180 . 1 1 22 22 LEU HD23 H 1 0.98 . . 1 . . . . . . . . 4312 1 181 . 1 1 22 22 LEU CA C 13 58.47 . . 1 . . . . . . . . 4312 1 182 . 1 1 22 22 LEU CB C 13 41.95 . . 1 . . . . . . . . 4312 1 183 . 1 1 22 22 LEU CG C 13 27.33 . . 1 . . . . . . . . 4312 1 184 . 1 1 22 22 LEU CD1 C 13 26.53 . . 1 . . . . . . . . 4312 1 185 . 1 1 22 22 LEU CD2 C 13 23.78 . . 1 . . . . . . . . 4312 1 186 . 1 1 22 22 LEU N N 15 119.88 . . 1 . . . . . . . . 4312 1 187 . 1 1 23 23 GLN H H 1 8.51 . . 1 . . . . . . . . 4312 1 188 . 1 1 23 23 GLN HA H 1 4.03 . . 1 . . . . . . . . 4312 1 189 . 1 1 23 23 GLN HB2 H 1 2.26 . . 1 . . . . . . . . 4312 1 190 . 1 1 23 23 GLN HB3 H 1 2.33 . . 1 . . . . . . . . 4312 1 191 . 1 1 23 23 GLN HG2 H 1 2.46 . . 1 . . . . . . . . 4312 1 192 . 1 1 23 23 GLN HG3 H 1 2.54 . . 1 . . . . . . . . 4312 1 193 . 1 1 23 23 GLN CA C 13 59.02 . . 1 . . . . . . . . 4312 1 194 . 1 1 23 23 GLN CB C 13 28.18 . . 1 . . . . . . . . 4312 1 195 . 1 1 23 23 GLN CG C 13 34.24 . . 1 . . . . . . . . 4312 1 196 . 1 1 23 23 GLN N N 15 117.26 . . 1 . . . . . . . . 4312 1 197 . 1 1 24 24 GLN H H 1 8.03 . . 1 . . . . . . . . 4312 1 198 . 1 1 24 24 GLN HA H 1 4.20 . . 1 . . . . . . . . 4312 1 199 . 1 1 24 24 GLN HB2 H 1 2.47 . . 1 . . . . . . . . 4312 1 200 . 1 1 24 24 GLN HB3 H 1 2.48 . . 1 . . . . . . . . 4312 1 201 . 1 1 24 24 GLN HG2 H 1 2.47 . . 1 . . . . . . . . 4312 1 202 . 1 1 24 24 GLN HG3 H 1 2.84 . . 1 . . . . . . . . 4312 1 203 . 1 1 24 24 GLN HE21 H 1 6.92 . . 1 . . . . . . . . 4312 1 204 . 1 1 24 24 GLN HE22 H 1 7.02 . . 1 . . . . . . . . 4312 1 205 . 1 1 24 24 GLN CA C 13 59.57 . . 1 . . . . . . . . 4312 1 206 . 1 1 24 24 GLN CB C 13 29.84 . . 1 . . . . . . . . 4312 1 207 . 1 1 24 24 GLN CG C 13 35.34 . . 1 . . . . . . . . 4312 1 208 . 1 1 24 24 GLN N N 15 118.90 . . 1 . . . . . . . . 4312 1 209 . 1 1 24 24 GLN NE2 N 15 110.37 . . 1 . . . . . . . . 4312 1 210 . 1 1 25 25 VAL H H 1 8.53 . . 1 . . . . . . . . 4312 1 211 . 1 1 25 25 VAL HA H 1 3.84 . . 1 . . . . . . . . 4312 1 212 . 1 1 25 25 VAL HB H 1 2.38 . . 1 . . . . . . . . 4312 1 213 . 1 1 25 25 VAL HG11 H 1 1.18 . . 1 . . . . . . . . 4312 1 214 . 1 1 25 25 VAL HG12 H 1 1.18 . . 1 . . . . . . . . 4312 1 215 . 1 1 25 25 VAL HG13 H 1 1.18 . . 1 . . . . . . . . 4312 1 216 . 1 1 25 25 VAL HG21 H 1 1.03 . . 1 . . . . . . . . 4312 1 217 . 1 1 25 25 VAL HG22 H 1 1.03 . . 1 . . . . . . . . 4312 1 218 . 1 1 25 25 VAL HG23 H 1 1.03 . . 1 . . . . . . . . 4312 1 219 . 1 1 25 25 VAL CA C 13 67.83 . . 1 . . . . . . . . 4312 1 220 . 1 1 25 25 VAL CB C 13 32.03 . . 1 . . . . . . . . 4312 1 221 . 1 1 25 25 VAL CG1 C 13 23.33 . . 1 . . . . . . . . 4312 1 222 . 1 1 25 25 VAL CG2 C 13 22.12 . . 1 . . . . . . . . 4312 1 223 . 1 1 25 25 VAL N N 15 119.72 . . 1 . . . . . . . . 4312 1 224 . 1 1 26 26 LYS H H 1 8.57 . . 1 . . . . . . . . 4312 1 225 . 1 1 26 26 LYS HA H 1 3.89 . . 1 . . . . . . . . 4312 1 226 . 1 1 26 26 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 4312 1 227 . 1 1 26 26 LYS HG3 H 1 1.02 . . 1 . . . . . . . . 4312 1 228 . 1 1 26 26 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 4312 1 229 . 1 1 26 26 LYS CA C 13 59.57 . . 1 . . . . . . . . 4312 1 230 . 1 1 26 26 LYS CB C 13 32.38 . . 1 . . . . . . . . 4312 1 231 . 1 1 26 26 LYS N N 15 114.63 . . 1 . . . . . . . . 4312 1 232 . 1 1 27 27 SER H H 1 7.56 . . 1 . . . . . . . . 4312 1 233 . 1 1 27 27 SER HA H 1 4.45 . . 1 . . . . . . . . 4312 1 234 . 1 1 27 27 SER HB3 H 1 4.00 . . 1 . . . . . . . . 4312 1 235 . 1 1 27 27 SER CA C 13 59.02 . . 1 . . . . . . . . 4312 1 236 . 1 1 27 27 SER CB C 13 63.98 . . 1 . . . . . . . . 4312 1 237 . 1 1 27 27 SER N N 15 110.37 . . 1 . . . . . . . . 4312 1 238 . 1 1 28 28 HIS H H 1 7.54 . . 1 . . . . . . . . 4312 1 239 . 1 1 28 28 HIS HA H 1 3.97 . . 1 . . . . . . . . 4312 1 240 . 1 1 28 28 HIS HB2 H 1 2.80 . . 1 . . . . . . . . 4312 1 241 . 1 1 28 28 HIS HB3 H 1 2.99 . . 1 . . . . . . . . 4312 1 242 . 1 1 28 28 HIS HD2 H 1 4.98 . . 1 . . . . . . . . 4312 1 243 . 1 1 28 28 HIS HE1 H 1 7.52 . . 1 . . . . . . . . 4312 1 244 . 1 1 28 28 HIS CA C 13 58.47 . . 1 . . . . . . . . 4312 1 245 . 1 1 28 28 HIS CB C 13 32.59 . . 1 . . . . . . . . 4312 1 246 . 1 1 28 28 HIS CD2 C 13 118.93 . . 1 . . . . . . . . 4312 1 247 . 1 1 28 28 HIS CE1 C 13 138.75 . . 1 . . . . . . . . 4312 1 248 . 1 1 28 28 HIS N N 15 125.62 . . 1 . . . . . . . . 4312 1 249 . 1 1 29 29 GLN H H 1 8.54 . . 1 . . . . . . . . 4312 1 250 . 1 1 29 29 GLN HA H 1 4.21 . . 1 . . . . . . . . 4312 1 251 . 1 1 29 29 GLN HB3 H 1 2.11 . . 1 . . . . . . . . 4312 1 252 . 1 1 29 29 GLN HG3 H 1 2.39 . . 1 . . . . . . . . 4312 1 253 . 1 1 29 29 GLN HE21 H 1 6.87 . . 1 . . . . . . . . 4312 1 254 . 1 1 29 29 GLN HE22 H 1 7.58 . . 1 . . . . . . . . 4312 1 255 . 1 1 29 29 GLN CA C 13 59.12 . . 1 . . . . . . . . 4312 1 256 . 1 1 29 29 GLN CB C 13 29.83 . . 1 . . . . . . . . 4312 1 257 . 1 1 29 29 GLN CG C 13 33.69 . . 1 . . . . . . . . 4312 1 258 . 1 1 29 29 GLN N N 15 128.57 . . 1 . . . . . . . . 4312 1 259 . 1 1 29 29 GLN NE2 N 15 112.17 . . 1 . . . . . . . . 4312 1 260 . 1 1 30 30 SER H H 1 11.67 . . 1 . . . . . . . . 4312 1 261 . 1 1 30 30 SER HA H 1 4.84 . . 1 . . . . . . . . 4312 1 262 . 1 1 30 30 SER HB2 H 1 3.93 . . 1 . . . . . . . . 4312 1 263 . 1 1 30 30 SER HB3 H 1 4.33 . . 1 . . . . . . . . 4312 1 264 . 1 1 30 30 SER CA C 13 60.12 . . 1 . . . . . . . . 4312 1 265 . 1 1 30 30 SER CB C 13 63.98 . . 1 . . . . . . . . 4312 1 266 . 1 1 30 30 SER N N 15 119.06 . . 1 . . . . . . . . 4312 1 267 . 1 1 31 31 ALA H H 1 7.87 . . 1 . . . . . . . . 4312 1 268 . 1 1 31 31 ALA HA H 1 4.40 . . 1 . . . . . . . . 4312 1 269 . 1 1 31 31 ALA HB1 H 1 1.69 . . 1 . . . . . . . . 4312 1 270 . 1 1 31 31 ALA HB2 H 1 1.69 . . 1 . . . . . . . . 4312 1 271 . 1 1 31 31 ALA HB3 H 1 1.69 . . 1 . . . . . . . . 4312 1 272 . 1 1 31 31 ALA CA C 13 53.51 . . 1 . . . . . . . . 4312 1 273 . 1 1 31 31 ALA CB C 13 20.47 . . 1 . . . . . . . . 4312 1 274 . 1 1 31 31 ALA N N 15 117.58 . . 1 . . . . . . . . 4312 1 275 . 1 1 32 32 TRP H H 1 7.13 . . 1 . . . . . . . . 4312 1 276 . 1 1 32 32 TRP HA H 1 4.37 . . 1 . . . . . . . . 4312 1 277 . 1 1 32 32 TRP HB2 H 1 3.35 . . 1 . . . . . . . . 4312 1 278 . 1 1 32 32 TRP HB3 H 1 3.59 . . 1 . . . . . . . . 4312 1 279 . 1 1 32 32 TRP HD1 H 1 7.90 . . 1 . . . . . . . . 4312 1 280 . 1 1 32 32 TRP HE1 H 1 10.47 . . 1 . . . . . . . . 4312 1 281 . 1 1 32 32 TRP HE3 H 1 7.34 . . 1 . . . . . . . . 4312 1 282 . 1 1 32 32 TRP HZ2 H 1 7.38 . . 1 . . . . . . . . 4312 1 283 . 1 1 32 32 TRP HZ3 H 1 7.20 . . 1 . . . . . . . . 4312 1 284 . 1 1 32 32 TRP HH2 H 1 7.15 . . 1 . . . . . . . . 4312 1 285 . 1 1 32 32 TRP CA C 13 60.69 . . 1 . . . . . . . . 4312 1 286 . 1 1 32 32 TRP CB C 13 27.63 . . 1 . . . . . . . . 4312 1 287 . 1 1 32 32 TRP CD1 C 13 128.84 . . 1 . . . . . . . . 4312 1 288 . 1 1 32 32 TRP CE3 C 13 122.23 . . 1 . . . . . . . . 4312 1 289 . 1 1 32 32 TRP CZ2 C 13 116.18 . . 1 . . . . . . . . 4312 1 290 . 1 1 32 32 TRP CZ3 C 13 123.34 . . 1 . . . . . . . . 4312 1 291 . 1 1 32 32 TRP CH2 C 13 126.09 . . 1 . . . . . . . . 4312 1 292 . 1 1 32 32 TRP N N 15 116.60 . . 1 . . . . . . . . 4312 1 293 . 1 1 32 32 TRP NE1 N 15 131.86 . . 1 . . . . . . . . 4312 1 294 . 1 1 33 33 PRO HA H 1 3.76 . . 1 . . . . . . . . 4312 1 295 . 1 1 33 33 PRO HB2 H 1 -0.78 . . 1 . . . . . . . . 4312 1 296 . 1 1 33 33 PRO HB3 H 1 0.49 . . 1 . . . . . . . . 4312 1 297 . 1 1 33 33 PRO HG2 H 1 -0.93 . . 1 . . . . . . . . 4312 1 298 . 1 1 33 33 PRO HG3 H 1 0.23 . . 1 . . . . . . . . 4312 1 299 . 1 1 33 33 PRO HD2 H 1 1.57 . . 1 . . . . . . . . 4312 1 300 . 1 1 33 33 PRO HD3 H 1 2.18 . . 1 . . . . . . . . 4312 1 301 . 1 1 33 33 PRO CA C 13 64.53 . . 1 . . . . . . . . 4312 1 302 . 1 1 33 33 PRO CB C 13 29.84 . . 1 . . . . . . . . 4312 1 303 . 1 1 33 33 PRO CG C 13 26.53 . . 1 . . . . . . . . 4312 1 304 . 1 1 33 33 PRO CD C 13 50.21 . . 1 . . . . . . . . 4312 1 305 . 1 1 34 34 PHE H H 1 7.58 . . 1 . . . . . . . . 4312 1 306 . 1 1 34 34 PHE HA H 1 4.93 . . 1 . . . . . . . . 4312 1 307 . 1 1 34 34 PHE HB2 H 1 2.53 . . 1 . . . . . . . . 4312 1 308 . 1 1 34 34 PHE HB3 H 1 3.49 . . 1 . . . . . . . . 4312 1 309 . 1 1 34 34 PHE HD1 H 1 7.10 . . 3 . . . . . . . . 4312 1 310 . 1 1 34 34 PHE HE1 H 1 7.17 . . 3 . . . . . . . . 4312 1 311 . 1 1 34 34 PHE HZ H 1 7.30 . . 1 . . . . . . . . 4312 1 312 . 1 1 34 34 PHE CA C 13 55.72 . . 1 . . . . . . . . 4312 1 313 . 1 1 34 34 PHE CB C 13 39.20 . . 1 . . . . . . . . 4312 1 314 . 1 1 34 34 PHE CD1 C 13 133.25 . . 3 . . . . . . . . 4312 1 315 . 1 1 34 34 PHE N N 15 113.32 . . 1 . . . . . . . . 4312 1 316 . 1 1 35 35 MET H H 1 7.12 . . 1 . . . . . . . . 4312 1 317 . 1 1 35 35 MET HA H 1 4.29 . . 1 . . . . . . . . 4312 1 318 . 1 1 35 35 MET HB2 H 1 2.17 . . 1 . . . . . . . . 4312 1 319 . 1 1 35 35 MET HB3 H 1 2.23 . . 1 . . . . . . . . 4312 1 320 . 1 1 35 35 MET HG3 H 1 2.85 . . 1 . . . . . . . . 4312 1 321 . 1 1 35 35 MET HE1 H 1 2.17 . . 1 . . . . . . . . 4312 1 322 . 1 1 35 35 MET HE2 H 1 2.17 . . 1 . . . . . . . . 4312 1 323 . 1 1 35 35 MET HE3 H 1 2.17 . . 1 . . . . . . . . 4312 1 324 . 1 1 35 35 MET CA C 13 56.82 . . 1 . . . . . . . . 4312 1 325 . 1 1 35 35 MET CB C 13 32.59 . . 1 . . . . . . . . 4312 1 326 . 1 1 35 35 MET CG C 13 33.14 . . 1 . . . . . . . . 4312 1 327 . 1 1 35 35 MET CE C 13 17.17 . . 1 . . . . . . . . 4312 1 328 . 1 1 35 35 MET N N 15 117.75 . . 1 . . . . . . . . 4312 1 329 . 1 1 36 36 GLU H H 1 7.71 . . 1 . . . . . . . . 4312 1 330 . 1 1 36 36 GLU HA H 1 4.85 . . 1 . . . . . . . . 4312 1 331 . 1 1 36 36 GLU HB2 H 1 1.73 . . 1 . . . . . . . . 4312 1 332 . 1 1 36 36 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4312 1 333 . 1 1 36 36 GLU HG3 H 1 2.16 . . 1 . . . . . . . . 4312 1 334 . 1 1 36 36 GLU CA C 13 53.52 . . 1 . . . . . . . . 4312 1 335 . 1 1 36 36 GLU CB C 13 31.49 . . 1 . . . . . . . . 4312 1 336 . 1 1 36 36 GLU CG C 13 35.89 . . 1 . . . . . . . . 4312 1 337 . 1 1 36 36 GLU N N 15 113.81 . . 1 . . . . . . . . 4312 1 338 . 1 1 37 37 PRO HA H 1 4.24 . . 1 . . . . . . . . 4312 1 339 . 1 1 37 37 PRO HB2 H 1 1.68 . . 1 . . . . . . . . 4312 1 340 . 1 1 37 37 PRO HB3 H 1 2.33 . . 1 . . . . . . . . 4312 1 341 . 1 1 37 37 PRO HG2 H 1 1.98 . . 1 . . . . . . . . 4312 1 342 . 1 1 37 37 PRO HG3 H 1 2.13 . . 1 . . . . . . . . 4312 1 343 . 1 1 37 37 PRO HD3 H 1 3.67 . . 1 . . . . . . . . 4312 1 344 . 1 1 37 37 PRO CA C 13 62.88 . . 1 . . . . . . . . 4312 1 345 . 1 1 37 37 PRO CB C 13 32.04 . . 1 . . . . . . . . 4312 1 346 . 1 1 37 37 PRO CG C 13 27.08 . . 1 . . . . . . . . 4312 1 347 . 1 1 37 37 PRO CD C 13 50.76 . . 1 . . . . . . . . 4312 1 348 . 1 1 38 38 VAL H H 1 8.12 . . 1 . . . . . . . . 4312 1 349 . 1 1 38 38 VAL HA H 1 3.55 . . 1 . . . . . . . . 4312 1 350 . 1 1 38 38 VAL HB H 1 1.15 . . 1 . . . . . . . . 4312 1 351 . 1 1 38 38 VAL HG11 H 1 0.46 . . 1 . . . . . . . . 4312 1 352 . 1 1 38 38 VAL HG12 H 1 0.46 . . 1 . . . . . . . . 4312 1 353 . 1 1 38 38 VAL HG13 H 1 0.46 . . 1 . . . . . . . . 4312 1 354 . 1 1 38 38 VAL HG21 H 1 0.17 . . 1 . . . . . . . . 4312 1 355 . 1 1 38 38 VAL HG22 H 1 0.17 . . 1 . . . . . . . . 4312 1 356 . 1 1 38 38 VAL HG23 H 1 0.17 . . 1 . . . . . . . . 4312 1 357 . 1 1 38 38 VAL CA C 13 63.43 . . 1 . . . . . . . . 4312 1 358 . 1 1 38 38 VAL CB C 13 32.58 . . 1 . . . . . . . . 4312 1 359 . 1 1 38 38 VAL CG1 C 13 21.57 . . 1 . . . . . . . . 4312 1 360 . 1 1 38 38 VAL CG2 C 13 21.57 . . 1 . . . . . . . . 4312 1 361 . 1 1 38 38 VAL N N 15 124.45 . . 1 . . . . . . . . 4312 1 362 . 1 1 39 39 LYS H H 1 9.04 . . 1 . . . . . . . . 4312 1 363 . 1 1 39 39 LYS HA H 1 4.37 . . 1 . . . . . . . . 4312 1 364 . 1 1 39 39 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 4312 1 365 . 1 1 39 39 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4312 1 366 . 1 1 39 39 LYS HD3 H 1 1.67 . . 1 . . . . . . . . 4312 1 367 . 1 1 39 39 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4312 1 368 . 1 1 39 39 LYS CA C 13 56.31 . . 1 . . . . . . . . 4312 1 369 . 1 1 39 39 LYS CB C 13 32.88 . . 1 . . . . . . . . 4312 1 370 . 1 1 39 39 LYS N N 15 129.88 . . 1 . . . . . . . . 4312 1 371 . 1 1 40 40 ARG H H 1 8.05 . . 1 . . . . . . . . 4312 1 372 . 1 1 40 40 ARG N N 15 120.21 . . 1 . . . . . . . . 4312 1 373 . 1 1 41 41 THR HA H 1 4.04 . . 1 . . . . . . . . 4312 1 374 . 1 1 41 41 THR HB H 1 4.29 . . 1 . . . . . . . . 4312 1 375 . 1 1 41 41 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4312 1 376 . 1 1 41 41 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4312 1 377 . 1 1 41 41 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4312 1 378 . 1 1 41 41 THR CA C 13 63.43 . . 1 . . . . . . . . 4312 1 379 . 1 1 41 41 THR CB C 13 68.38 . . 1 . . . . . . . . 4312 1 380 . 1 1 41 41 THR CG2 C 13 22.67 . . 1 . . . . . . . . 4312 1 381 . 1 1 42 42 GLU H H 1 7.21 . . 1 . . . . . . . . 4312 1 382 . 1 1 42 42 GLU HA H 1 4.45 . . 1 . . . . . . . . 4312 1 383 . 1 1 42 42 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4312 1 384 . 1 1 42 42 GLU HB3 H 1 2.17 . . 1 . . . . . . . . 4312 1 385 . 1 1 42 42 GLU HG3 H 1 2.29 . . 1 . . . . . . . . 4312 1 386 . 1 1 42 42 GLU CA C 13 56.27 . . 1 . . . . . . . . 4312 1 387 . 1 1 42 42 GLU CB C 13 30.93 . . 1 . . . . . . . . 4312 1 388 . 1 1 42 42 GLU CG C 13 36.44 . . 1 . . . . . . . . 4312 1 389 . 1 1 42 42 GLU N N 15 118.73 . . 1 . . . . . . . . 4312 1 390 . 1 1 43 43 ALA H H 1 7.38 . . 1 . . . . . . . . 4312 1 391 . 1 1 43 43 ALA HA H 1 4.94 . . 1 . . . . . . . . 4312 1 392 . 1 1 43 43 ALA HB1 H 1 1.08 . . 1 . . . . . . . . 4312 1 393 . 1 1 43 43 ALA HB2 H 1 1.08 . . 1 . . . . . . . . 4312 1 394 . 1 1 43 43 ALA HB3 H 1 1.08 . . 1 . . . . . . . . 4312 1 395 . 1 1 43 43 ALA CA C 13 50.22 . . 1 . . . . . . . . 4312 1 396 . 1 1 43 43 ALA CB C 13 19.37 . . 1 . . . . . . . . 4312 1 397 . 1 1 43 43 ALA N N 15 122.50 . . 1 . . . . . . . . 4312 1 398 . 1 1 44 44 PRO HA H 1 4.50 . . 1 . . . . . . . . 4312 1 399 . 1 1 44 44 PRO HB2 H 1 2.03 . . 1 . . . . . . . . 4312 1 400 . 1 1 44 44 PRO HB3 H 1 2.37 . . 1 . . . . . . . . 4312 1 401 . 1 1 44 44 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 4312 1 402 . 1 1 44 44 PRO HG3 H 1 2.12 . . 1 . . . . . . . . 4312 1 403 . 1 1 44 44 PRO HD2 H 1 3.52 . . 1 . . . . . . . . 4312 1 404 . 1 1 44 44 PRO HD3 H 1 3.72 . . 1 . . . . . . . . 4312 1 405 . 1 1 44 44 PRO CA C 13 65.08 . . 1 . . . . . . . . 4312 1 406 . 1 1 44 44 PRO CB C 13 31.49 . . 1 . . . . . . . . 4312 1 407 . 1 1 44 44 PRO CG C 13 27.63 . . 1 . . . . . . . . 4312 1 408 . 1 1 44 44 PRO CD C 13 50.21 . . 1 . . . . . . . . 4312 1 409 . 1 1 46 46 TYR H H 1 7.95 . . 1 . . . . . . . . 4312 1 410 . 1 1 46 46 TYR HA H 1 3.54 . . 1 . . . . . . . . 4312 1 411 . 1 1 46 46 TYR HB2 H 1 2.49 . . 1 . . . . . . . . 4312 1 412 . 1 1 46 46 TYR HB3 H 1 2.69 . . 1 . . . . . . . . 4312 1 413 . 1 1 46 46 TYR HD1 H 1 5.12 . . 3 . . . . . . . . 4312 1 414 . 1 1 46 46 TYR HE1 H 1 6.07 . . 3 . . . . . . . . 4312 1 415 . 1 1 46 46 TYR CA C 13 62.33 . . 1 . . . . . . . . 4312 1 416 . 1 1 46 46 TYR CB C 13 39.75 . . 1 . . . . . . . . 4312 1 417 . 1 1 46 46 TYR CD1 C 13 133.80 . . 3 . . . . . . . . 4312 1 418 . 1 1 46 46 TYR CE1 C 13 118.38 . . 3 . . . . . . . . 4312 1 419 . 1 1 46 46 TYR N N 15 122.50 . . 1 . . . . . . . . 4312 1 420 . 1 1 47 47 TYR H H 1 8.22 . . 1 . . . . . . . . 4312 1 421 . 1 1 47 47 TYR HA H 1 4.10 . . 1 . . . . . . . . 4312 1 422 . 1 1 47 47 TYR HB2 H 1 2.80 . . 1 . . . . . . . . 4312 1 423 . 1 1 47 47 TYR HB3 H 1 3.19 . . 1 . . . . . . . . 4312 1 424 . 1 1 47 47 TYR HD1 H 1 7.34 . . 3 . . . . . . . . 4312 1 425 . 1 1 47 47 TYR HE1 H 1 6.65 . . 3 . . . . . . . . 4312 1 426 . 1 1 47 47 TYR CA C 13 60.68 . . 1 . . . . . . . . 4312 1 427 . 1 1 47 47 TYR CB C 13 37.55 . . 1 . . . . . . . . 4312 1 428 . 1 1 47 47 TYR CD1 C 13 134.90 . . 3 . . . . . . . . 4312 1 429 . 1 1 47 47 TYR CE1 C 13 118.93 . . 3 . . . . . . . . 4312 1 430 . 1 1 47 47 TYR N N 15 113.16 . . 1 . . . . . . . . 4312 1 431 . 1 1 48 48 GLU H H 1 7.70 . . 1 . . . . . . . . 4312 1 432 . 1 1 48 48 GLU HA H 1 4.21 . . 1 . . . . . . . . 4312 1 433 . 1 1 48 48 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4312 1 434 . 1 1 48 48 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 4312 1 435 . 1 1 48 48 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 4312 1 436 . 1 1 48 48 GLU CA C 13 57.92 . . 1 . . . . . . . . 4312 1 437 . 1 1 48 48 GLU CB C 13 29.48 . . 1 . . . . . . . . 4312 1 438 . 1 1 48 48 GLU CG C 13 37.55 . . 1 . . . . . . . . 4312 1 439 . 1 1 48 48 GLU N N 15 117.91 . . 1 . . . . . . . . 4312 1 440 . 1 1 49 49 VAL H H 1 7.13 . . 1 . . . . . . . . 4312 1 441 . 1 1 49 49 VAL HA H 1 4.08 . . 1 . . . . . . . . 4312 1 442 . 1 1 49 49 VAL HB H 1 2.02 . . 1 . . . . . . . . 4312 1 443 . 1 1 49 49 VAL HG11 H 1 1.04 . . 1 . . . . . . . . 4312 1 444 . 1 1 49 49 VAL HG12 H 1 1.04 . . 1 . . . . . . . . 4312 1 445 . 1 1 49 49 VAL HG13 H 1 1.04 . . 1 . . . . . . . . 4312 1 446 . 1 1 49 49 VAL HG21 H 1 0.99 . . 1 . . . . . . . . 4312 1 447 . 1 1 49 49 VAL HG22 H 1 0.99 . . 1 . . . . . . . . 4312 1 448 . 1 1 49 49 VAL HG23 H 1 0.99 . . 1 . . . . . . . . 4312 1 449 . 1 1 49 49 VAL CA C 13 63.43 . . 1 . . . . . . . . 4312 1 450 . 1 1 49 49 VAL CB C 13 33.69 . . 1 . . . . . . . . 4312 1 451 . 1 1 49 49 VAL CG1 C 13 21.02 . . 1 . . . . . . . . 4312 1 452 . 1 1 49 49 VAL CG2 C 13 21.57 . . 1 . . . . . . . . 4312 1 453 . 1 1 49 49 VAL N N 15 115.45 . . 1 . . . . . . . . 4312 1 454 . 1 1 50 50 ILE H H 1 7.95 . . 1 . . . . . . . . 4312 1 455 . 1 1 50 50 ILE HA H 1 3.92 . . 1 . . . . . . . . 4312 1 456 . 1 1 50 50 ILE HB H 1 1.21 . . 1 . . . . . . . . 4312 1 457 . 1 1 50 50 ILE HG12 H 1 0.22 . . 1 . . . . . . . . 4312 1 458 . 1 1 50 50 ILE HG13 H 1 0.80 . . 1 . . . . . . . . 4312 1 459 . 1 1 50 50 ILE HG21 H 1 0.38 . . 1 . . . . . . . . 4312 1 460 . 1 1 50 50 ILE HG22 H 1 0.38 . . 1 . . . . . . . . 4312 1 461 . 1 1 50 50 ILE HG23 H 1 0.38 . . 1 . . . . . . . . 4312 1 462 . 1 1 50 50 ILE HD11 H 1 0.54 . . 1 . . . . . . . . 4312 1 463 . 1 1 50 50 ILE HD12 H 1 0.54 . . 1 . . . . . . . . 4312 1 464 . 1 1 50 50 ILE HD13 H 1 0.54 . . 1 . . . . . . . . 4312 1 465 . 1 1 50 50 ILE CA C 13 57.92 . . 1 . . . . . . . . 4312 1 466 . 1 1 50 50 ILE CB C 13 34.24 . . 1 . . . . . . . . 4312 1 467 . 1 1 50 50 ILE CG1 C 13 24.88 . . 1 . . . . . . . . 4312 1 468 . 1 1 50 50 ILE CG2 C 13 16.62 . . 1 . . . . . . . . 4312 1 469 . 1 1 50 50 ILE CD1 C 13 9.46 . . 1 . . . . . . . . 4312 1 470 . 1 1 50 50 ILE N N 15 122.83 . . 1 . . . . . . . . 4312 1 471 . 1 1 51 51 ARG H H 1 7.75 . . 1 . . . . . . . . 4312 1 472 . 1 1 51 51 ARG HA H 1 3.88 . . 1 . . . . . . . . 4312 1 473 . 1 1 51 51 ARG HB2 H 1 1.21 . . 1 . . . . . . . . 4312 1 474 . 1 1 51 51 ARG HB3 H 1 1.39 . . 1 . . . . . . . . 4312 1 475 . 1 1 51 51 ARG HG2 H 1 1.17 . . 1 . . . . . . . . 4312 1 476 . 1 1 51 51 ARG HG3 H 1 1.32 . . 1 . . . . . . . . 4312 1 477 . 1 1 51 51 ARG HD3 H 1 2.97 . . 1 . . . . . . . . 4312 1 478 . 1 1 51 51 ARG CA C 13 57.37 . . 1 . . . . . . . . 4312 1 479 . 1 1 51 51 ARG CB C 13 30.94 . . 1 . . . . . . . . 4312 1 480 . 1 1 51 51 ARG CG C 13 27.08 . . 1 . . . . . . . . 4312 1 481 . 1 1 51 51 ARG CD C 13 43.05 . . 1 . . . . . . . . 4312 1 482 . 1 1 51 51 ARG N N 15 125.29 . . 1 . . . . . . . . 4312 1 483 . 1 1 52 52 SER H H 1 8.39 . . 1 . . . . . . . . 4312 1 484 . 1 1 52 52 SER HA H 1 4.98 . . 1 . . . . . . . . 4312 1 485 . 1 1 52 52 SER HB2 H 1 2.91 . . 1 . . . . . . . . 4312 1 486 . 1 1 52 52 SER HB3 H 1 3.03 . . 1 . . . . . . . . 4312 1 487 . 1 1 52 52 SER CA C 13 54.62 . . 1 . . . . . . . . 4312 1 488 . 1 1 52 52 SER CB C 13 66.20 . . 1 . . . . . . . . 4312 1 489 . 1 1 52 52 SER N N 15 116.60 . . 1 . . . . . . . . 4312 1 490 . 1 1 53 53 PRO HA H 1 4.08 . . 1 . . . . . . . . 4312 1 491 . 1 1 53 53 PRO HB3 H 1 2.21 . . 1 . . . . . . . . 4312 1 492 . 1 1 53 53 PRO HG2 H 1 1.88 . . 1 . . . . . . . . 4312 1 493 . 1 1 53 53 PRO HG3 H 1 2.18 . . 1 . . . . . . . . 4312 1 494 . 1 1 53 53 PRO HD2 H 1 3.39 . . 1 . . . . . . . . 4312 1 495 . 1 1 53 53 PRO HD3 H 1 3.62 . . 1 . . . . . . . . 4312 1 496 . 1 1 53 53 PRO CA C 13 63.43 . . 1 . . . . . . . . 4312 1 497 . 1 1 53 53 PRO CB C 13 32.59 . . 1 . . . . . . . . 4312 1 498 . 1 1 53 53 PRO CG C 13 28.18 . . 1 . . . . . . . . 4312 1 499 . 1 1 53 53 PRO CD C 13 50.76 . . 1 . . . . . . . . 4312 1 500 . 1 1 54 54 MET H H 1 8.43 . . 1 . . . . . . . . 4312 1 501 . 1 1 54 54 MET HA H 1 4.93 . . 1 . . . . . . . . 4312 1 502 . 1 1 54 54 MET HB2 H 1 1.35 . . 1 . . . . . . . . 4312 1 503 . 1 1 54 54 MET HB3 H 1 1.99 . . 1 . . . . . . . . 4312 1 504 . 1 1 54 54 MET HG3 H 1 2.69 . . 1 . . . . . . . . 4312 1 505 . 1 1 54 54 MET HE1 H 1 1.93 . . 1 . . . . . . . . 4312 1 506 . 1 1 54 54 MET HE2 H 1 1.93 . . 1 . . . . . . . . 4312 1 507 . 1 1 54 54 MET HE3 H 1 1.93 . . 1 . . . . . . . . 4312 1 508 . 1 1 54 54 MET CA C 13 54.07 . . 1 . . . . . . . . 4312 1 509 . 1 1 54 54 MET CB C 13 31.49 . . 1 . . . . . . . . 4312 1 510 . 1 1 54 54 MET CG C 13 30.93 . . 1 . . . . . . . . 4312 1 511 . 1 1 54 54 MET CE C 13 14.41 . . 1 . . . . . . . . 4312 1 512 . 1 1 54 54 MET N N 15 119.06 . . 1 . . . . . . . . 4312 1 513 . 1 1 55 55 ASP H H 1 7.37 . . 1 . . . . . . . . 4312 1 514 . 1 1 55 55 ASP HA H 1 4.75 . . 1 . . . . . . . . 4312 1 515 . 1 1 55 55 ASP HB3 H 1 2.37 . . 1 . . . . . . . . 4312 1 516 . 1 1 55 55 ASP CA C 13 53.52 . . 1 . . . . . . . . 4312 1 517 . 1 1 55 55 ASP CB C 13 44.15 . . 1 . . . . . . . . 4312 1 518 . 1 1 55 55 ASP N N 15 119.06 . . 1 . . . . . . . . 4312 1 519 . 1 1 56 56 LEU H H 1 9.05 . . 1 . . . . . . . . 4312 1 520 . 1 1 56 56 LEU HA H 1 4.04 . . 1 . . . . . . . . 4312 1 521 . 1 1 56 56 LEU HB2 H 1 1.40 . . 1 . . . . . . . . 4312 1 522 . 1 1 56 56 LEU HB3 H 1 2.10 . . 1 . . . . . . . . 4312 1 523 . 1 1 56 56 LEU HG H 1 1.71 . . 1 . . . . . . . . 4312 1 524 . 1 1 56 56 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4312 1 525 . 1 1 56 56 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4312 1 526 . 1 1 56 56 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4312 1 527 . 1 1 56 56 LEU HD21 H 1 0.63 . . 1 . . . . . . . . 4312 1 528 . 1 1 56 56 LEU HD22 H 1 0.63 . . 1 . . . . . . . . 4312 1 529 . 1 1 56 56 LEU HD23 H 1 0.63 . . 1 . . . . . . . . 4312 1 530 . 1 1 56 56 LEU CA C 13 57.92 . . 1 . . . . . . . . 4312 1 531 . 1 1 56 56 LEU CB C 13 41.40 . . 1 . . . . . . . . 4312 1 532 . 1 1 56 56 LEU CG C 13 27.08 . . 1 . . . . . . . . 4312 1 533 . 1 1 56 56 LEU CD1 C 13 27.08 . . 1 . . . . . . . . 4312 1 534 . 1 1 56 56 LEU CD2 C 13 22.68 . . 1 . . . . . . . . 4312 1 535 . 1 1 56 56 LEU N N 15 116.27 . . 1 . . . . . . . . 4312 1 536 . 1 1 57 57 LYS H H 1 8.74 . . 1 . . . . . . . . 4312 1 537 . 1 1 57 57 LYS HA H 1 4.20 . . 1 . . . . . . . . 4312 1 538 . 1 1 57 57 LYS HB2 H 1 2.22 . . 1 . . . . . . . . 4312 1 539 . 1 1 57 57 LYS HB3 H 1 2.33 . . 1 . . . . . . . . 4312 1 540 . 1 1 57 57 LYS HG2 H 1 1.40 . . 1 . . . . . . . . 4312 1 541 . 1 1 57 57 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 4312 1 542 . 1 1 57 57 LYS HD2 H 1 1.70 . . 1 . . . . . . . . 4312 1 543 . 1 1 57 57 LYS HD3 H 1 1.79 . . 1 . . . . . . . . 4312 1 544 . 1 1 57 57 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4312 1 545 . 1 1 57 57 LYS CA C 13 60.68 . . 1 . . . . . . . . 4312 1 546 . 1 1 57 57 LYS CB C 13 32.04 . . 1 . . . . . . . . 4312 1 547 . 1 1 57 57 LYS CG C 13 25.28 . . 1 . . . . . . . . 4312 1 548 . 1 1 57 57 LYS CD C 13 30.39 . . 1 . . . . . . . . 4312 1 549 . 1 1 57 57 LYS CE C 13 41.95 . . 1 . . . . . . . . 4312 1 550 . 1 1 57 57 LYS N N 15 128.08 . . 1 . . . . . . . . 4312 1 551 . 1 1 58 58 THR H H 1 9.45 . . 1 . . . . . . . . 4312 1 552 . 1 1 58 58 THR HA H 1 3.85 . . 1 . . . . . . . . 4312 1 553 . 1 1 58 58 THR HB H 1 4.09 . . 1 . . . . . . . . 4312 1 554 . 1 1 58 58 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4312 1 555 . 1 1 58 58 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4312 1 556 . 1 1 58 58 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4312 1 557 . 1 1 58 58 THR CA C 13 67.04 . . 1 . . . . . . . . 4312 1 558 . 1 1 58 58 THR CB C 13 67.83 . . 1 . . . . . . . . 4312 1 559 . 1 1 58 58 THR CG2 C 13 22.12 . . 1 . . . . . . . . 4312 1 560 . 1 1 58 58 THR N N 15 122.18 . . 1 . . . . . . . . 4312 1 561 . 1 1 59 59 MET H H 1 7.88 . . 1 . . . . . . . . 4312 1 562 . 1 1 59 59 MET HA H 1 4.32 . . 1 . . . . . . . . 4312 1 563 . 1 1 59 59 MET HB2 H 1 1.92 . . 1 . . . . . . . . 4312 1 564 . 1 1 59 59 MET HB3 H 1 2.09 . . 1 . . . . . . . . 4312 1 565 . 1 1 59 59 MET HG2 H 1 2.50 . . 1 . . . . . . . . 4312 1 566 . 1 1 59 59 MET HG3 H 1 2.62 . . 1 . . . . . . . . 4312 1 567 . 1 1 59 59 MET HE1 H 1 1.24 . . 1 . . . . . . . . 4312 1 568 . 1 1 59 59 MET HE2 H 1 1.24 . . 1 . . . . . . . . 4312 1 569 . 1 1 59 59 MET HE3 H 1 1.24 . . 1 . . . . . . . . 4312 1 570 . 1 1 59 59 MET CA C 13 60.68 . . 1 . . . . . . . . 4312 1 571 . 1 1 59 59 MET CB C 13 33.34 . . 1 . . . . . . . . 4312 1 572 . 1 1 59 59 MET CG C 13 33.14 . . 1 . . . . . . . . 4312 1 573 . 1 1 59 59 MET CE C 13 16.62 . . 1 . . . . . . . . 4312 1 574 . 1 1 59 59 MET N N 15 117.91 . . 1 . . . . . . . . 4312 1 575 . 1 1 60 60 SER H H 1 7.96 . . 1 . . . . . . . . 4312 1 576 . 1 1 60 60 SER HA H 1 4.20 . . 1 . . . . . . . . 4312 1 577 . 1 1 60 60 SER HB2 H 1 4.04 . . 1 . . . . . . . . 4312 1 578 . 1 1 60 60 SER HB3 H 1 4.37 . . 1 . . . . . . . . 4312 1 579 . 1 1 60 60 SER CA C 13 62.88 . . 1 . . . . . . . . 4312 1 580 . 1 1 60 60 SER CB C 13 62.88 . . 1 . . . . . . . . 4312 1 581 . 1 1 60 60 SER N N 15 116.11 . . 1 . . . . . . . . 4312 1 582 . 1 1 61 61 GLU H H 1 8.15 . . 1 . . . . . . . . 4312 1 583 . 1 1 61 61 GLU HA H 1 4.04 . . 1 . . . . . . . . 4312 1 584 . 1 1 61 61 GLU HB2 H 1 2.06 . . 1 . . . . . . . . 4312 1 585 . 1 1 61 61 GLU HB3 H 1 2.25 . . 1 . . . . . . . . 4312 1 586 . 1 1 61 61 GLU HG2 H 1 2.18 . . 1 . . . . . . . . 4312 1 587 . 1 1 61 61 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 4312 1 588 . 1 1 61 61 GLU CA C 13 59.57 . . 1 . . . . . . . . 4312 1 589 . 1 1 61 61 GLU CB C 13 29.28 . . 1 . . . . . . . . 4312 1 590 . 1 1 61 61 GLU CG C 13 36.44 . . 1 . . . . . . . . 4312 1 591 . 1 1 61 61 GLU N N 15 124.47 . . 1 . . . . . . . . 4312 1 592 . 1 1 62 62 ARG H H 1 8.39 . . 1 . . . . . . . . 4312 1 593 . 1 1 62 62 ARG HA H 1 3.87 . . 1 . . . . . . . . 4312 1 594 . 1 1 62 62 ARG HB2 H 1 1.08 . . 1 . . . . . . . . 4312 1 595 . 1 1 62 62 ARG HB3 H 1 2.05 . . 1 . . . . . . . . 4312 1 596 . 1 1 62 62 ARG HG2 H 1 0.88 . . 1 . . . . . . . . 4312 1 597 . 1 1 62 62 ARG HG3 H 1 1.72 . . 1 . . . . . . . . 4312 1 598 . 1 1 62 62 ARG HD2 H 1 2.05 . . 1 . . . . . . . . 4312 1 599 . 1 1 62 62 ARG HD3 H 1 2.58 . . 1 . . . . . . . . 4312 1 600 . 1 1 62 62 ARG CA C 13 60.68 . . 1 . . . . . . . . 4312 1 601 . 1 1 62 62 ARG CB C 13 30.39 . . 1 . . . . . . . . 4312 1 602 . 1 1 62 62 ARG CG C 13 29.28 . . 1 . . . . . . . . 4312 1 603 . 1 1 62 62 ARG CD C 13 44.15 . . 1 . . . . . . . . 4312 1 604 . 1 1 62 62 ARG N N 15 120.37 . . 1 . . . . . . . . 4312 1 605 . 1 1 63 63 LEU H H 1 8.86 . . 1 . . . . . . . . 4312 1 606 . 1 1 63 63 LEU HA H 1 4.69 . . 1 . . . . . . . . 4312 1 607 . 1 1 63 63 LEU HB2 H 1 1.93 . . 1 . . . . . . . . 4312 1 608 . 1 1 63 63 LEU HB3 H 1 2.29 . . 1 . . . . . . . . 4312 1 609 . 1 1 63 63 LEU HG H 1 1.83 . . 1 . . . . . . . . 4312 1 610 . 1 1 63 63 LEU HD11 H 1 1.07 . . 1 . . . . . . . . 4312 1 611 . 1 1 63 63 LEU HD12 H 1 1.07 . . 1 . . . . . . . . 4312 1 612 . 1 1 63 63 LEU HD13 H 1 1.07 . . 1 . . . . . . . . 4312 1 613 . 1 1 63 63 LEU HD21 H 1 0.87 . . 1 . . . . . . . . 4312 1 614 . 1 1 63 63 LEU HD22 H 1 0.87 . . 1 . . . . . . . . 4312 1 615 . 1 1 63 63 LEU HD23 H 1 0.87 . . 1 . . . . . . . . 4312 1 616 . 1 1 63 63 LEU CA C 13 58.47 . . 1 . . . . . . . . 4312 1 617 . 1 1 63 63 LEU CB C 13 42.62 . . 1 . . . . . . . . 4312 1 618 . 1 1 63 63 LEU CG C 13 27.08 . . 1 . . . . . . . . 4312 1 619 . 1 1 63 63 LEU CD1 C 13 25.43 . . 1 . . . . . . . . 4312 1 620 . 1 1 63 63 LEU CD2 C 13 27.08 . . 1 . . . . . . . . 4312 1 621 . 1 1 63 63 LEU N N 15 120.21 . . 1 . . . . . . . . 4312 1 622 . 1 1 64 64 LYS H H 1 7.96 . . 1 . . . . . . . . 4312 1 623 . 1 1 64 64 LYS HA H 1 4.33 . . 1 . . . . . . . . 4312 1 624 . 1 1 64 64 LYS HB3 H 1 2.06 . . 1 . . . . . . . . 4312 1 625 . 1 1 64 64 LYS HG3 H 1 1.60 . . 1 . . . . . . . . 4312 1 626 . 1 1 64 64 LYS HD3 H 1 1.80 . . 1 . . . . . . . . 4312 1 627 . 1 1 64 64 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 4312 1 628 . 1 1 64 64 LYS CA C 13 59.57 . . 1 . . . . . . . . 4312 1 629 . 1 1 64 64 LYS CB C 13 32.59 . . 1 . . . . . . . . 4312 1 630 . 1 1 64 64 LYS CG C 13 24.88 . . 1 . . . . . . . . 4312 1 631 . 1 1 64 64 LYS CD C 13 29.84 . . 1 . . . . . . . . 4312 1 632 . 1 1 64 64 LYS CE C 13 41.95 . . 1 . . . . . . . . 4312 1 633 . 1 1 64 64 LYS N N 15 120.37 . . 1 . . . . . . . . 4312 1 634 . 1 1 65 65 ASN H H 1 7.95 . . 1 . . . . . . . . 4312 1 635 . 1 1 65 65 ASN HA H 1 4.77 . . 1 . . . . . . . . 4312 1 636 . 1 1 65 65 ASN HB2 H 1 2.77 . . 1 . . . . . . . . 4312 1 637 . 1 1 65 65 ASN HB3 H 1 3.02 . . 1 . . . . . . . . 4312 1 638 . 1 1 65 65 ASN HD21 H 1 6.97 . . 1 . . . . . . . . 4312 1 639 . 1 1 65 65 ASN HD22 H 1 7.60 . . 1 . . . . . . . . 4312 1 640 . 1 1 65 65 ASN CA C 13 53.51 . . 1 . . . . . . . . 4312 1 641 . 1 1 65 65 ASN CB C 13 38.09 . . 1 . . . . . . . . 4312 1 642 . 1 1 65 65 ASN N N 15 116.11 . . 1 . . . . . . . . 4312 1 643 . 1 1 65 65 ASN ND2 N 15 112.67 . . 1 . . . . . . . . 4312 1 644 . 1 1 66 66 ARG H H 1 8.16 . . 1 . . . . . . . . 4312 1 645 . 1 1 66 66 ARG HA H 1 4.41 . . 1 . . . . . . . . 4312 1 646 . 1 1 66 66 ARG HB2 H 1 2.02 . . 1 . . . . . . . . 4312 1 647 . 1 1 66 66 ARG HB3 H 1 2.10 . . 1 . . . . . . . . 4312 1 648 . 1 1 66 66 ARG HG2 H 1 1.53 . . 1 . . . . . . . . 4312 1 649 . 1 1 66 66 ARG HG3 H 1 1.54 . . 1 . . . . . . . . 4312 1 650 . 1 1 66 66 ARG HD2 H 1 3.02 . . 1 . . . . . . . . 4312 1 651 . 1 1 66 66 ARG HD3 H 1 3.06 . . 1 . . . . . . . . 4312 1 652 . 1 1 66 66 ARG CA C 13 56.82 . . 1 . . . . . . . . 4312 1 653 . 1 1 66 66 ARG CB C 13 25.43 . . 1 . . . . . . . . 4312 1 654 . 1 1 66 66 ARG CG C 13 27.63 . . 1 . . . . . . . . 4312 1 655 . 1 1 66 66 ARG CD C 13 43.05 . . 1 . . . . . . . . 4312 1 656 . 1 1 66 66 ARG N N 15 114.14 . . 1 . . . . . . . . 4312 1 657 . 1 1 67 67 TYR H H 1 8.22 . . 1 . . . . . . . . 4312 1 658 . 1 1 67 67 TYR HA H 1 4.06 . . 1 . . . . . . . . 4312 1 659 . 1 1 67 67 TYR HB2 H 1 2.06 . . 1 . . . . . . . . 4312 1 660 . 1 1 67 67 TYR HB3 H 1 2.95 . . 1 . . . . . . . . 4312 1 661 . 1 1 67 67 TYR HD1 H 1 6.29 . . 3 . . . . . . . . 4312 1 662 . 1 1 67 67 TYR HE1 H 1 6.71 . . 3 . . . . . . . . 4312 1 663 . 1 1 67 67 TYR CA C 13 60.12 . . 1 . . . . . . . . 4312 1 664 . 1 1 67 67 TYR CB C 13 40.85 . . 1 . . . . . . . . 4312 1 665 . 1 1 67 67 TYR CD1 C 13 134.35 . . 3 . . . . . . . . 4312 1 666 . 1 1 67 67 TYR CE1 C 13 118.93 . . 3 . . . . . . . . 4312 1 667 . 1 1 67 67 TYR N N 15 116.76 . . 1 . . . . . . . . 4312 1 668 . 1 1 68 68 TYR H H 1 8.01 . . 1 . . . . . . . . 4312 1 669 . 1 1 68 68 TYR HA H 1 4.53 . . 1 . . . . . . . . 4312 1 670 . 1 1 68 68 TYR HB2 H 1 2.91 . . 1 . . . . . . . . 4312 1 671 . 1 1 68 68 TYR HB3 H 1 3.06 . . 1 . . . . . . . . 4312 1 672 . 1 1 68 68 TYR HD1 H 1 7.17 . . 3 . . . . . . . . 4312 1 673 . 1 1 68 68 TYR HE1 H 1 7.29 . . 3 . . . . . . . . 4312 1 674 . 1 1 68 68 TYR CA C 13 57.92 . . 1 . . . . . . . . 4312 1 675 . 1 1 68 68 TYR CB C 13 36.44 . . 1 . . . . . . . . 4312 1 676 . 1 1 68 68 TYR CD1 C 13 133.25 . . 3 . . . . . . . . 4312 1 677 . 1 1 68 68 TYR CE1 C 13 120.58 . . 3 . . . . . . . . 4312 1 678 . 1 1 68 68 TYR N N 15 114.63 . . 1 . . . . . . . . 4312 1 679 . 1 1 69 69 VAL H H 1 7.70 . . 1 . . . . . . . . 4312 1 680 . 1 1 69 69 VAL HA H 1 4.08 . . 1 . . . . . . . . 4312 1 681 . 1 1 69 69 VAL HB H 1 2.32 . . 1 . . . . . . . . 4312 1 682 . 1 1 69 69 VAL HG11 H 1 0.94 . . 1 . . . . . . . . 4312 1 683 . 1 1 69 69 VAL HG12 H 1 0.94 . . 1 . . . . . . . . 4312 1 684 . 1 1 69 69 VAL HG13 H 1 0.94 . . 1 . . . . . . . . 4312 1 685 . 1 1 69 69 VAL HG21 H 1 0.82 . . 1 . . . . . . . . 4312 1 686 . 1 1 69 69 VAL HG22 H 1 0.82 . . 1 . . . . . . . . 4312 1 687 . 1 1 69 69 VAL HG23 H 1 0.82 . . 1 . . . . . . . . 4312 1 688 . 1 1 69 69 VAL CA C 13 62.33 . . 1 . . . . . . . . 4312 1 689 . 1 1 69 69 VAL CB C 13 31.50 . . 1 . . . . . . . . 4312 1 690 . 1 1 69 69 VAL CG1 C 13 21.57 . . 1 . . . . . . . . 4312 1 691 . 1 1 69 69 VAL CG2 C 13 18.82 . . 1 . . . . . . . . 4312 1 692 . 1 1 69 69 VAL N N 15 115.78 . . 1 . . . . . . . . 4312 1 693 . 1 1 70 70 SER H H 1 7.42 . . 1 . . . . . . . . 4312 1 694 . 1 1 70 70 SER HA H 1 4.74 . . 1 . . . . . . . . 4312 1 695 . 1 1 70 70 SER HB2 H 1 3.75 . . 1 . . . . . . . . 4312 1 696 . 1 1 70 70 SER HB3 H 1 4.20 . . 1 . . . . . . . . 4312 1 697 . 1 1 70 70 SER CA C 13 55.72 . . 1 . . . . . . . . 4312 1 698 . 1 1 70 70 SER CB C 13 66.18 . . 1 . . . . . . . . 4312 1 699 . 1 1 70 70 SER N N 15 111.35 . . 1 . . . . . . . . 4312 1 700 . 1 1 71 71 LYS HA H 1 4.02 . . 1 . . . . . . . . 4312 1 701 . 1 1 71 71 LYS CA C 13 59.03 . . 1 . . . . . . . . 4312 1 702 . 1 1 71 71 LYS CB C 13 31.59 . . 1 . . . . . . . . 4312 1 703 . 1 1 72 72 LYS H H 1 8.24 . . 1 . . . . . . . . 4312 1 704 . 1 1 72 72 LYS HA H 1 4.06 . . 1 . . . . . . . . 4312 1 705 . 1 1 72 72 LYS HB3 H 1 1.78 . . 1 . . . . . . . . 4312 1 706 . 1 1 72 72 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4312 1 707 . 1 1 72 72 LYS HE2 H 1 3.04 . . 1 . . . . . . . . 4312 1 708 . 1 1 72 72 LYS HE3 H 1 3.14 . . 1 . . . . . . . . 4312 1 709 . 1 1 72 72 LYS CA C 13 59.72 . . 1 . . . . . . . . 4312 1 710 . 1 1 72 72 LYS CB C 13 30.39 . . 1 . . . . . . . . 4312 1 711 . 1 1 72 72 LYS CG C 13 24.53 . . 1 . . . . . . . . 4312 1 712 . 1 1 72 72 LYS CD C 13 28.18 . . 1 . . . . . . . . 4312 1 713 . 1 1 72 72 LYS CE C 13 41.67 . . 1 . . . . . . . . 4312 1 714 . 1 1 72 72 LYS N N 15 120.21 . . 1 . . . . . . . . 4312 1 715 . 1 1 73 73 LEU H H 1 7.42 . . 1 . . . . . . . . 4312 1 716 . 1 1 73 73 LEU HA H 1 4.21 . . 1 . . . . . . . . 4312 1 717 . 1 1 73 73 LEU HB2 H 1 1.89 . . 1 . . . . . . . . 4312 1 718 . 1 1 73 73 LEU HB3 H 1 2.00 . . 1 . . . . . . . . 4312 1 719 . 1 1 73 73 LEU HG H 1 1.79 . . 1 . . . . . . . . 4312 1 720 . 1 1 73 73 LEU HD11 H 1 0.92 . . 1 . . . . . . . . 4312 1 721 . 1 1 73 73 LEU HD12 H 1 0.92 . . 1 . . . . . . . . 4312 1 722 . 1 1 73 73 LEU HD13 H 1 0.92 . . 1 . . . . . . . . 4312 1 723 . 1 1 73 73 LEU HD21 H 1 0.90 . . 1 . . . . . . . . 4312 1 724 . 1 1 73 73 LEU HD22 H 1 0.90 . . 1 . . . . . . . . 4312 1 725 . 1 1 73 73 LEU HD23 H 1 0.90 . . 1 . . . . . . . . 4312 1 726 . 1 1 73 73 LEU CA C 13 57.92 . . 1 . . . . . . . . 4312 1 727 . 1 1 73 73 LEU CB C 13 43.60 . . 1 . . . . . . . . 4312 1 728 . 1 1 73 73 LEU CG C 13 27.63 . . 1 . . . . . . . . 4312 1 729 . 1 1 73 73 LEU CD1 C 13 25.98 . . 1 . . . . . . . . 4312 1 730 . 1 1 73 73 LEU CD2 C 13 23.78 . . 1 . . . . . . . . 4312 1 731 . 1 1 73 73 LEU N N 15 118.73 . . 1 . . . . . . . . 4312 1 732 . 1 1 74 74 PHE H H 1 6.93 . . 1 . . . . . . . . 4312 1 733 . 1 1 74 74 PHE HA H 1 3.76 . . 1 . . . . . . . . 4312 1 734 . 1 1 74 74 PHE HB2 H 1 2.38 . . 1 . . . . . . . . 4312 1 735 . 1 1 74 74 PHE HB3 H 1 2.94 . . 1 . . . . . . . . 4312 1 736 . 1 1 74 74 PHE HD1 H 1 6.40 . . 3 . . . . . . . . 4312 1 737 . 1 1 74 74 PHE HE1 H 1 6.93 . . 3 . . . . . . . . 4312 1 738 . 1 1 74 74 PHE CA C 13 60.68 . . 1 . . . . . . . . 4312 1 739 . 1 1 74 74 PHE CB C 13 39.75 . . 1 . . . . . . . . 4312 1 740 . 1 1 74 74 PHE CD1 C 13 133.80 . . 3 . . . . . . . . 4312 1 741 . 1 1 74 74 PHE CE1 C 13 131.60 . . 3 . . . . . . . . 4312 1 742 . 1 1 74 74 PHE N N 15 118.73 . . 1 . . . . . . . . 4312 1 743 . 1 1 75 75 MET H H 1 8.49 . . 1 . . . . . . . . 4312 1 744 . 1 1 75 75 MET HA H 1 3.91 . . 1 . . . . . . . . 4312 1 745 . 1 1 75 75 MET HB2 H 1 2.21 . . 1 . . . . . . . . 4312 1 746 . 1 1 75 75 MET HB3 H 1 2.32 . . 1 . . . . . . . . 4312 1 747 . 1 1 75 75 MET HG2 H 1 2.61 . . 1 . . . . . . . . 4312 1 748 . 1 1 75 75 MET HG3 H 1 2.94 . . 1 . . . . . . . . 4312 1 749 . 1 1 75 75 MET HE1 H 1 2.03 . . 1 . . . . . . . . 4312 1 750 . 1 1 75 75 MET HE2 H 1 2.03 . . 1 . . . . . . . . 4312 1 751 . 1 1 75 75 MET HE3 H 1 2.03 . . 1 . . . . . . . . 4312 1 752 . 1 1 75 75 MET CA C 13 59.02 . . 1 . . . . . . . . 4312 1 753 . 1 1 75 75 MET CB C 13 32.59 . . 1 . . . . . . . . 4312 1 754 . 1 1 75 75 MET CG C 13 33.14 . . 1 . . . . . . . . 4312 1 755 . 1 1 75 75 MET CE C 13 17.17 . . 1 . . . . . . . . 4312 1 756 . 1 1 75 75 MET N N 15 116.27 . . 1 . . . . . . . . 4312 1 757 . 1 1 76 76 ALA H H 1 8.00 . . 1 . . . . . . . . 4312 1 758 . 1 1 76 76 ALA HA H 1 4.08 . . 1 . . . . . . . . 4312 1 759 . 1 1 76 76 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4312 1 760 . 1 1 76 76 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4312 1 761 . 1 1 76 76 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4312 1 762 . 1 1 76 76 ALA CA C 13 55.17 . . 1 . . . . . . . . 4312 1 763 . 1 1 76 76 ALA CB C 13 18.27 . . 1 . . . . . . . . 4312 1 764 . 1 1 76 76 ALA N N 15 119.72 . . 1 . . . . . . . . 4312 1 765 . 1 1 77 77 ASP H H 1 7.38 . . 1 . . . . . . . . 4312 1 766 . 1 1 77 77 ASP HA H 1 4.37 . . 1 . . . . . . . . 4312 1 767 . 1 1 77 77 ASP HB3 H 1 2.73 . . 1 . . . . . . . . 4312 1 768 . 1 1 77 77 ASP CA C 13 57.37 . . 1 . . . . . . . . 4312 1 769 . 1 1 77 77 ASP CB C 13 38.65 . . 1 . . . . . . . . 4312 1 770 . 1 1 77 77 ASP N N 15 119.72 . . 1 . . . . . . . . 4312 1 771 . 1 1 78 78 LEU H H 1 7.36 . . 1 . . . . . . . . 4312 1 772 . 1 1 78 78 LEU HA H 1 3.40 . . 1 . . . . . . . . 4312 1 773 . 1 1 78 78 LEU HB2 H 1 0.44 . . 1 . . . . . . . . 4312 1 774 . 1 1 78 78 LEU HB3 H 1 0.76 . . 1 . . . . . . . . 4312 1 775 . 1 1 78 78 LEU HG H 1 0.71 . . 1 . . . . . . . . 4312 1 776 . 1 1 78 78 LEU HD11 H 1 0.18 . . 1 . . . . . . . . 4312 1 777 . 1 1 78 78 LEU HD12 H 1 0.18 . . 1 . . . . . . . . 4312 1 778 . 1 1 78 78 LEU HD13 H 1 0.18 . . 1 . . . . . . . . 4312 1 779 . 1 1 78 78 LEU HD21 H 1 0.06 . . 1 . . . . . . . . 4312 1 780 . 1 1 78 78 LEU HD22 H 1 0.06 . . 1 . . . . . . . . 4312 1 781 . 1 1 78 78 LEU HD23 H 1 0.06 . . 1 . . . . . . . . 4312 1 782 . 1 1 78 78 LEU CA C 13 57.92 . . 1 . . . . . . . . 4312 1 783 . 1 1 78 78 LEU CB C 13 40.30 . . 1 . . . . . . . . 4312 1 784 . 1 1 78 78 LEU CG C 13 27.63 . . 1 . . . . . . . . 4312 1 785 . 1 1 78 78 LEU CD1 C 13 24.33 . . 1 . . . . . . . . 4312 1 786 . 1 1 78 78 LEU CD2 C 13 25.98 . . 1 . . . . . . . . 4312 1 787 . 1 1 78 78 LEU N N 15 119.55 . . 1 . . . . . . . . 4312 1 788 . 1 1 79 79 GLN H H 1 8.07 . . 1 . . . . . . . . 4312 1 789 . 1 1 79 79 GLN HA H 1 3.80 . . 1 . . . . . . . . 4312 1 790 . 1 1 79 79 GLN HB2 H 1 2.10 . . 1 . . . . . . . . 4312 1 791 . 1 1 79 79 GLN HB3 H 1 2.16 . . 1 . . . . . . . . 4312 1 792 . 1 1 79 79 GLN HG3 H 1 2.46 . . 1 . . . . . . . . 4312 1 793 . 1 1 79 79 GLN HE21 H 1 7.22 . . 1 . . . . . . . . 4312 1 794 . 1 1 79 79 GLN HE22 H 1 7.32 . . 1 . . . . . . . . 4312 1 795 . 1 1 79 79 GLN CA C 13 59.02 . . 1 . . . . . . . . 4312 1 796 . 1 1 79 79 GLN CB C 13 28.73 . . 1 . . . . . . . . 4312 1 797 . 1 1 79 79 GLN CG C 13 35.34 . . 1 . . . . . . . . 4312 1 798 . 1 1 79 79 GLN N N 15 114.14 . . 1 . . . . . . . . 4312 1 799 . 1 1 79 79 GLN NE2 N 15 111.35 . . 1 . . . . . . . . 4312 1 800 . 1 1 80 80 ARG H H 1 7.38 . . 1 . . . . . . . . 4312 1 801 . 1 1 80 80 ARG HA H 1 4.08 . . 1 . . . . . . . . 4312 1 802 . 1 1 80 80 ARG HB2 H 1 1.89 . . 1 . . . . . . . . 4312 1 803 . 1 1 80 80 ARG HB3 H 1 1.97 . . 1 . . . . . . . . 4312 1 804 . 1 1 80 80 ARG HG3 H 1 1.74 . . 1 . . . . . . . . 4312 1 805 . 1 1 80 80 ARG HD2 H 1 3.33 . . 1 . . . . . . . . 4312 1 806 . 1 1 80 80 ARG HD3 H 1 3.39 . . 1 . . . . . . . . 4312 1 807 . 1 1 80 80 ARG CA C 13 58.47 . . 1 . . . . . . . . 4312 1 808 . 1 1 80 80 ARG CB C 13 29.84 . . 1 . . . . . . . . 4312 1 809 . 1 1 80 80 ARG CG C 13 27.08 . . 1 . . . . . . . . 4312 1 810 . 1 1 80 80 ARG CD C 13 43.60 . . 1 . . . . . . . . 4312 1 811 . 1 1 80 80 ARG N N 15 118.57 . . 1 . . . . . . . . 4312 1 812 . 1 1 81 81 VAL H H 1 7.01 . . 1 . . . . . . . . 4312 1 813 . 1 1 81 81 VAL HA H 1 3.04 . . 1 . . . . . . . . 4312 1 814 . 1 1 81 81 VAL HB H 1 1.44 . . 1 . . . . . . . . 4312 1 815 . 1 1 81 81 VAL HG11 H 1 0.48 . . 1 . . . . . . . . 4312 1 816 . 1 1 81 81 VAL HG12 H 1 0.48 . . 1 . . . . . . . . 4312 1 817 . 1 1 81 81 VAL HG13 H 1 0.48 . . 1 . . . . . . . . 4312 1 818 . 1 1 81 81 VAL HG21 H 1 0.14 . . 1 . . . . . . . . 4312 1 819 . 1 1 81 81 VAL HG22 H 1 0.14 . . 1 . . . . . . . . 4312 1 820 . 1 1 81 81 VAL HG23 H 1 0.14 . . 1 . . . . . . . . 4312 1 821 . 1 1 81 81 VAL CA C 13 66.73 . . 1 . . . . . . . . 4312 1 822 . 1 1 81 81 VAL CB C 13 30.93 . . 1 . . . . . . . . 4312 1 823 . 1 1 81 81 VAL CG1 C 13 22.12 . . 1 . . . . . . . . 4312 1 824 . 1 1 81 81 VAL CG2 C 13 21.57 . . 1 . . . . . . . . 4312 1 825 . 1 1 81 81 VAL N N 15 117.91 . . 1 . . . . . . . . 4312 1 826 . 1 1 82 82 PHE H H 1 6.36 . . 1 . . . . . . . . 4312 1 827 . 1 1 82 82 PHE HA H 1 4.16 . . 1 . . . . . . . . 4312 1 828 . 1 1 82 82 PHE HB2 H 1 2.94 . . 1 . . . . . . . . 4312 1 829 . 1 1 82 82 PHE HB3 H 1 3.09 . . 1 . . . . . . . . 4312 1 830 . 1 1 82 82 PHE HD1 H 1 6.64 . . 3 . . . . . . . . 4312 1 831 . 1 1 82 82 PHE HE1 H 1 6.46 . . 3 . . . . . . . . 4312 1 832 . 1 1 82 82 PHE HZ H 1 6.41 . . 1 . . . . . . . . 4312 1 833 . 1 1 82 82 PHE CA C 13 58.47 . . 1 . . . . . . . . 4312 1 834 . 1 1 82 82 PHE CB C 13 38.10 . . 1 . . . . . . . . 4312 1 835 . 1 1 82 82 PHE CD1 C 13 132.15 . . 3 . . . . . . . . 4312 1 836 . 1 1 82 82 PHE CE1 C 13 131.60 . . 3 . . . . . . . . 4312 1 837 . 1 1 82 82 PHE CZ C 13 129.39 . . 1 . . . . . . . . 4312 1 838 . 1 1 82 82 PHE N N 15 116.93 . . 1 . . . . . . . . 4312 1 839 . 1 1 83 83 THR H H 1 9.05 . . 1 . . . . . . . . 4312 1 840 . 1 1 83 83 THR HA H 1 3.84 . . 1 . . . . . . . . 4312 1 841 . 1 1 83 83 THR HB H 1 4.21 . . 1 . . . . . . . . 4312 1 842 . 1 1 83 83 THR HG21 H 1 1.30 . . 1 . . . . . . . . 4312 1 843 . 1 1 83 83 THR HG22 H 1 1.30 . . 1 . . . . . . . . 4312 1 844 . 1 1 83 83 THR HG23 H 1 1.30 . . 1 . . . . . . . . 4312 1 845 . 1 1 83 83 THR CA C 13 66.73 . . 1 . . . . . . . . 4312 1 846 . 1 1 83 83 THR CB C 13 68.38 . . 1 . . . . . . . . 4312 1 847 . 1 1 83 83 THR CG2 C 13 22.12 . . 1 . . . . . . . . 4312 1 848 . 1 1 83 83 THR N N 15 115.29 . . 1 . . . . . . . . 4312 1 849 . 1 1 84 84 ASN H H 1 8.85 . . 1 . . . . . . . . 4312 1 850 . 1 1 84 84 ASN HA H 1 4.32 . . 1 . . . . . . . . 4312 1 851 . 1 1 84 84 ASN HB2 H 1 2.66 . . 1 . . . . . . . . 4312 1 852 . 1 1 84 84 ASN HB3 H 1 2.98 . . 1 . . . . . . . . 4312 1 853 . 1 1 84 84 ASN CA C 13 55.17 . . 1 . . . . . . . . 4312 1 854 . 1 1 84 84 ASN CB C 13 38.09 . . 1 . . . . . . . . 4312 1 855 . 1 1 84 84 ASN N N 15 120.70 . . 1 . . . . . . . . 4312 1 856 . 1 1 85 85 CYS H H 1 6.89 . . 1 . . . . . . . . 4312 1 857 . 1 1 85 85 CYS HA H 1 4.41 . . 1 . . . . . . . . 4312 1 858 . 1 1 85 85 CYS HB2 H 1 3.03 . . 1 . . . . . . . . 4312 1 859 . 1 1 85 85 CYS HB3 H 1 3.30 . . 1 . . . . . . . . 4312 1 860 . 1 1 85 85 CYS CA C 13 62.16 . . 1 . . . . . . . . 4312 1 861 . 1 1 85 85 CYS CB C 13 26.53 . . 1 . . . . . . . . 4312 1 862 . 1 1 85 85 CYS N N 15 116.93 . . 1 . . . . . . . . 4312 1 863 . 1 1 86 86 LYS H H 1 7.80 . . 1 . . . . . . . . 4312 1 864 . 1 1 86 86 LYS HA H 1 4.20 . . 1 . . . . . . . . 4312 1 865 . 1 1 86 86 LYS HB3 H 1 1.74 . . 1 . . . . . . . . 4312 1 866 . 1 1 86 86 LYS HG2 H 1 0.14 . . 1 . . . . . . . . 4312 1 867 . 1 1 86 86 LYS HG3 H 1 1.31 . . 1 . . . . . . . . 4312 1 868 . 1 1 86 86 LYS HD3 H 1 1.29 . . 1 . . . . . . . . 4312 1 869 . 1 1 86 86 LYS HE2 H 1 2.42 . . 1 . . . . . . . . 4312 1 870 . 1 1 86 86 LYS HE3 H 1 2.49 . . 1 . . . . . . . . 4312 1 871 . 1 1 86 86 LYS CA C 13 58.47 . . 1 . . . . . . . . 4312 1 872 . 1 1 86 86 LYS CB C 13 32.59 . . 1 . . . . . . . . 4312 1 873 . 1 1 86 86 LYS CG C 13 25.43 . . 1 . . . . . . . . 4312 1 874 . 1 1 86 86 LYS CD C 13 29.84 . . 1 . . . . . . . . 4312 1 875 . 1 1 86 86 LYS CE C 13 41.40 . . 1 . . . . . . . . 4312 1 876 . 1 1 86 86 LYS N N 15 116.76 . . 1 . . . . . . . . 4312 1 877 . 1 1 87 87 GLU H H 1 7.95 . . 1 . . . . . . . . 4312 1 878 . 1 1 87 87 GLU HA H 1 4.25 . . 1 . . . . . . . . 4312 1 879 . 1 1 87 87 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4312 1 880 . 1 1 87 87 GLU HB3 H 1 2.17 . . 1 . . . . . . . . 4312 1 881 . 1 1 87 87 GLU HG2 H 1 2.20 . . 1 . . . . . . . . 4312 1 882 . 1 1 87 87 GLU HG3 H 1 2.41 . . 1 . . . . . . . . 4312 1 883 . 1 1 87 87 GLU CA C 13 57.99 . . 1 . . . . . . . . 4312 1 884 . 1 1 87 87 GLU CB C 13 30.39 . . 1 . . . . . . . . 4312 1 885 . 1 1 87 87 GLU CG C 13 36.99 . . 1 . . . . . . . . 4312 1 886 . 1 1 87 87 GLU N N 15 117.91 . . 1 . . . . . . . . 4312 1 887 . 1 1 88 88 TYR H H 1 7.74 . . 1 . . . . . . . . 4312 1 888 . 1 1 88 88 TYR HA H 1 4.37 . . 1 . . . . . . . . 4312 1 889 . 1 1 88 88 TYR HB3 H 1 2.93 . . 1 . . . . . . . . 4312 1 890 . 1 1 88 88 TYR HD1 H 1 6.99 . . 3 . . . . . . . . 4312 1 891 . 1 1 88 88 TYR HE1 H 1 6.82 . . 3 . . . . . . . . 4312 1 892 . 1 1 88 88 TYR CA C 13 60.68 . . 1 . . . . . . . . 4312 1 893 . 1 1 88 88 TYR CB C 13 41.40 . . 1 . . . . . . . . 4312 1 894 . 1 1 88 88 TYR CD1 C 13 134.90 . . 3 . . . . . . . . 4312 1 895 . 1 1 88 88 TYR CE1 C 13 119.48 . . 3 . . . . . . . . 4312 1 896 . 1 1 88 88 TYR N N 15 116.60 . . 1 . . . . . . . . 4312 1 897 . 1 1 89 89 ASN H H 1 8.24 . . 1 . . . . . . . . 4312 1 898 . 1 1 89 89 ASN HA H 1 5.02 . . 1 . . . . . . . . 4312 1 899 . 1 1 89 89 ASN HB2 H 1 2.91 . . 1 . . . . . . . . 4312 1 900 . 1 1 89 89 ASN HB3 H 1 3.07 . . 1 . . . . . . . . 4312 1 901 . 1 1 89 89 ASN HD21 H 1 7.81 . . 1 . . . . . . . . 4312 1 902 . 1 1 89 89 ASN HD22 H 1 8.32 . . 1 . . . . . . . . 4312 1 903 . 1 1 89 89 ASN CA C 13 51.86 . . 1 . . . . . . . . 4312 1 904 . 1 1 89 89 ASN CB C 13 40.85 . . 1 . . . . . . . . 4312 1 905 . 1 1 89 89 ASN N N 15 115.94 . . 1 . . . . . . . . 4312 1 906 . 1 1 89 89 ASN ND2 N 15 118.73 . . 1 . . . . . . . . 4312 1 907 . 1 1 91 91 PRO HA H 1 2.42 . . 1 . . . . . . . . 4312 1 908 . 1 1 91 91 PRO HB3 H 1 1.95 . . 1 . . . . . . . . 4312 1 909 . 1 1 91 91 PRO HG2 H 1 1.56 . . 1 . . . . . . . . 4312 1 910 . 1 1 91 91 PRO HG3 H 1 1.65 . . 1 . . . . . . . . 4312 1 911 . 1 1 91 91 PRO HD2 H 1 3.60 . . 1 . . . . . . . . 4312 1 912 . 1 1 91 91 PRO HD3 H 1 3.71 . . 1 . . . . . . . . 4312 1 913 . 1 1 91 91 PRO CA C 13 63.98 . . 1 . . . . . . . . 4312 1 914 . 1 1 91 91 PRO CD C 13 50.76 . . 1 . . . . . . . . 4312 1 915 . 1 1 92 92 GLU H H 1 8.25 . . 1 . . . . . . . . 4312 1 916 . 1 1 92 92 GLU HA H 1 4.18 . . 1 . . . . . . . . 4312 1 917 . 1 1 92 92 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4312 1 918 . 1 1 92 92 GLU HB3 H 1 2.10 . . 1 . . . . . . . . 4312 1 919 . 1 1 92 92 GLU HG3 H 1 2.20 . . 1 . . . . . . . . 4312 1 920 . 1 1 92 92 GLU CA C 13 56.82 . . 1 . . . . . . . . 4312 1 921 . 1 1 92 92 GLU CB C 13 28.73 . . 1 . . . . . . . . 4312 1 922 . 1 1 92 92 GLU CG C 13 36.27 . . 1 . . . . . . . . 4312 1 923 . 1 1 92 92 GLU N N 15 112.99 . . 1 . . . . . . . . 4312 1 924 . 1 1 93 93 SER H H 1 8.11 . . 1 . . . . . . . . 4312 1 925 . 1 1 93 93 SER HA H 1 4.41 . . 1 . . . . . . . . 4312 1 926 . 1 1 93 93 SER HB2 H 1 4.16 . . 1 . . . . . . . . 4312 1 927 . 1 1 93 93 SER HB3 H 1 4.39 . . 1 . . . . . . . . 4312 1 928 . 1 1 93 93 SER CA C 13 58.47 . . 1 . . . . . . . . 4312 1 929 . 1 1 93 93 SER CB C 13 66.18 . . 1 . . . . . . . . 4312 1 930 . 1 1 93 93 SER N N 15 115.78 . . 1 . . . . . . . . 4312 1 931 . 1 1 94 94 GLU H H 1 9.06 . . 1 . . . . . . . . 4312 1 932 . 1 1 94 94 GLU HA H 1 4.23 . . 1 . . . . . . . . 4312 1 933 . 1 1 94 94 GLU HB3 H 1 2.17 . . 1 . . . . . . . . 4312 1 934 . 1 1 94 94 GLU HG3 H 1 2.53 . . 1 . . . . . . . . 4312 1 935 . 1 1 94 94 GLU CA C 13 59.57 . . 1 . . . . . . . . 4312 1 936 . 1 1 94 94 GLU CB C 13 29.84 . . 1 . . . . . . . . 4312 1 937 . 1 1 94 94 GLU CG C 13 36.44 . . 1 . . . . . . . . 4312 1 938 . 1 1 94 94 GLU N N 15 123.49 . . 1 . . . . . . . . 4312 1 939 . 1 1 95 95 TYR H H 1 8.07 . . 1 . . . . . . . . 4312 1 940 . 1 1 95 95 TYR HA H 1 3.83 . . 1 . . . . . . . . 4312 1 941 . 1 1 95 95 TYR HB2 H 1 2.74 . . 1 . . . . . . . . 4312 1 942 . 1 1 95 95 TYR HB3 H 1 3.02 . . 1 . . . . . . . . 4312 1 943 . 1 1 95 95 TYR HD1 H 1 6.89 . . 3 . . . . . . . . 4312 1 944 . 1 1 95 95 TYR HE1 H 1 7.01 . . 3 . . . . . . . . 4312 1 945 . 1 1 95 95 TYR CA C 13 60.12 . . 1 . . . . . . . . 4312 1 946 . 1 1 95 95 TYR CB C 13 37.55 . . 1 . . . . . . . . 4312 1 947 . 1 1 95 95 TYR CD1 C 13 132.70 . . 3 . . . . . . . . 4312 1 948 . 1 1 95 95 TYR CE1 C 13 120.03 . . 3 . . . . . . . . 4312 1 949 . 1 1 95 95 TYR N N 15 116.44 . . 1 . . . . . . . . 4312 1 950 . 1 1 96 96 TYR H H 1 7.36 . . 1 . . . . . . . . 4312 1 951 . 1 1 96 96 TYR HA H 1 3.82 . . 1 . . . . . . . . 4312 1 952 . 1 1 96 96 TYR HB2 H 1 2.50 . . 1 . . . . . . . . 4312 1 953 . 1 1 96 96 TYR HB3 H 1 3.39 . . 1 . . . . . . . . 4312 1 954 . 1 1 96 96 TYR HD1 H 1 7.09 . . 3 . . . . . . . . 4312 1 955 . 1 1 96 96 TYR HE1 H 1 7.00 . . 3 . . . . . . . . 4312 1 956 . 1 1 96 96 TYR CA C 13 61.78 . . 1 . . . . . . . . 4312 1 957 . 1 1 96 96 TYR CB C 13 40.30 . . 1 . . . . . . . . 4312 1 958 . 1 1 96 96 TYR CD1 C 13 136.55 . . 3 . . . . . . . . 4312 1 959 . 1 1 96 96 TYR CE1 C 13 119.48 . . 3 . . . . . . . . 4312 1 960 . 1 1 96 96 TYR N N 15 119.88 . . 1 . . . . . . . . 4312 1 961 . 1 1 97 97 LYS H H 1 8.07 . . 1 . . . . . . . . 4312 1 962 . 1 1 97 97 LYS HA H 1 4.20 . . 1 . . . . . . . . 4312 1 963 . 1 1 97 97 LYS HB3 H 1 2.09 . . 1 . . . . . . . . 4312 1 964 . 1 1 97 97 LYS HG2 H 1 1.58 . . 1 . . . . . . . . 4312 1 965 . 1 1 97 97 LYS HG3 H 1 1.82 . . 1 . . . . . . . . 4312 1 966 . 1 1 97 97 LYS HD3 H 1 1.81 . . 1 . . . . . . . . 4312 1 967 . 1 1 97 97 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4312 1 968 . 1 1 97 97 LYS CA C 13 60.68 . . 1 . . . . . . . . 4312 1 969 . 1 1 97 97 LYS CB C 13 32.59 . . 1 . . . . . . . . 4312 1 970 . 1 1 97 97 LYS CG C 13 25.98 . . 1 . . . . . . . . 4312 1 971 . 1 1 97 97 LYS CD C 13 29.83 . . 1 . . . . . . . . 4312 1 972 . 1 1 97 97 LYS CE C 13 41.96 . . 1 . . . . . . . . 4312 1 973 . 1 1 97 97 LYS N N 15 118.08 . . 1 . . . . . . . . 4312 1 974 . 1 1 98 98 CYS H H 1 8.52 . . 1 . . . . . . . . 4312 1 975 . 1 1 98 98 CYS HA H 1 4.20 . . 1 . . . . . . . . 4312 1 976 . 1 1 98 98 CYS HB2 H 1 3.06 . . 1 . . . . . . . . 4312 1 977 . 1 1 98 98 CYS HB3 H 1 3.40 . . 1 . . . . . . . . 4312 1 978 . 1 1 98 98 CYS CA C 13 65.09 . . 1 . . . . . . . . 4312 1 979 . 1 1 98 98 CYS CB C 13 27.08 . . 1 . . . . . . . . 4312 1 980 . 1 1 98 98 CYS N N 15 116.76 . . 1 . . . . . . . . 4312 1 981 . 1 1 99 99 ALA H H 1 8.31 . . 1 . . . . . . . . 4312 1 982 . 1 1 99 99 ALA HA H 1 3.83 . . 1 . . . . . . . . 4312 1 983 . 1 1 99 99 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4312 1 984 . 1 1 99 99 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4312 1 985 . 1 1 99 99 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4312 1 986 . 1 1 99 99 ALA CA C 13 55.56 . . 1 . . . . . . . . 4312 1 987 . 1 1 99 99 ALA CB C 13 18.27 . . 1 . . . . . . . . 4312 1 988 . 1 1 99 99 ALA N N 15 120.70 . . 1 . . . . . . . . 4312 1 989 . 1 1 100 100 ASN H H 1 8.07 . . 1 . . . . . . . . 4312 1 990 . 1 1 100 100 ASN HA H 1 4.33 . . 1 . . . . . . . . 4312 1 991 . 1 1 100 100 ASN HB2 H 1 2.83 . . 1 . . . . . . . . 4312 1 992 . 1 1 100 100 ASN HB3 H 1 2.88 . . 1 . . . . . . . . 4312 1 993 . 1 1 100 100 ASN CA C 13 56.27 . . 1 . . . . . . . . 4312 1 994 . 1 1 100 100 ASN CB C 13 38.65 . . 1 . . . . . . . . 4312 1 995 . 1 1 100 100 ASN N N 15 115.45 . . 1 . . . . . . . . 4312 1 996 . 1 1 101 101 ILE H H 1 7.91 . . 1 . . . . . . . . 4312 1 997 . 1 1 101 101 ILE HA H 1 3.65 . . 1 . . . . . . . . 4312 1 998 . 1 1 101 101 ILE HB H 1 1.92 . . 1 . . . . . . . . 4312 1 999 . 1 1 101 101 ILE HG12 H 1 1.20 . . 1 . . . . . . . . 4312 1 1000 . 1 1 101 101 ILE HG13 H 1 1.88 . . 1 . . . . . . . . 4312 1 1001 . 1 1 101 101 ILE HG21 H 1 1.02 . . 1 . . . . . . . . 4312 1 1002 . 1 1 101 101 ILE HG22 H 1 1.02 . . 1 . . . . . . . . 4312 1 1003 . 1 1 101 101 ILE HG23 H 1 1.02 . . 1 . . . . . . . . 4312 1 1004 . 1 1 101 101 ILE HD11 H 1 0.94 . . 1 . . . . . . . . 4312 1 1005 . 1 1 101 101 ILE HD12 H 1 0.94 . . 1 . . . . . . . . 4312 1 1006 . 1 1 101 101 ILE HD13 H 1 0.94 . . 1 . . . . . . . . 4312 1 1007 . 1 1 101 101 ILE CA C 13 65.08 . . 1 . . . . . . . . 4312 1 1008 . 1 1 101 101 ILE CB C 13 39.20 . . 1 . . . . . . . . 4312 1 1009 . 1 1 101 101 ILE CG1 C 13 29.28 . . 1 . . . . . . . . 4312 1 1010 . 1 1 101 101 ILE CG2 C 13 17.72 . . 1 . . . . . . . . 4312 1 1011 . 1 1 101 101 ILE CD1 C 13 13.86 . . 1 . . . . . . . . 4312 1 1012 . 1 1 101 101 ILE N N 15 119.88 . . 1 . . . . . . . . 4312 1 1013 . 1 1 102 102 LEU H H 1 8.56 . . 1 . . . . . . . . 4312 1 1014 . 1 1 102 102 LEU HA H 1 3.67 . . 1 . . . . . . . . 4312 1 1015 . 1 1 102 102 LEU HB2 H 1 1.20 . . 1 . . . . . . . . 4312 1 1016 . 1 1 102 102 LEU HB3 H 1 1.41 . . 1 . . . . . . . . 4312 1 1017 . 1 1 102 102 LEU HG H 1 1.58 . . 1 . . . . . . . . 4312 1 1018 . 1 1 102 102 LEU HD11 H 1 0.70 . . 1 . . . . . . . . 4312 1 1019 . 1 1 102 102 LEU HD12 H 1 0.70 . . 1 . . . . . . . . 4312 1 1020 . 1 1 102 102 LEU HD13 H 1 0.70 . . 1 . . . . . . . . 4312 1 1021 . 1 1 102 102 LEU HD21 H 1 0.70 . . 1 . . . . . . . . 4312 1 1022 . 1 1 102 102 LEU HD22 H 1 0.70 . . 1 . . . . . . . . 4312 1 1023 . 1 1 102 102 LEU HD23 H 1 0.70 . . 1 . . . . . . . . 4312 1 1024 . 1 1 102 102 LEU CA C 13 56.82 . . 1 . . . . . . . . 4312 1 1025 . 1 1 102 102 LEU CB C 13 41.95 . . 1 . . . . . . . . 4312 1 1026 . 1 1 102 102 LEU CG C 13 26.53 . . 1 . . . . . . . . 4312 1 1027 . 1 1 102 102 LEU CD1 C 13 24.33 . . 1 . . . . . . . . 4312 1 1028 . 1 1 102 102 LEU CD2 C 13 25.43 . . 1 . . . . . . . . 4312 1 1029 . 1 1 102 102 LEU N N 15 122.50 . . 1 . . . . . . . . 4312 1 1030 . 1 1 103 103 GLU H H 1 8.07 . . 1 . . . . . . . . 4312 1 1031 . 1 1 103 103 GLU HA H 1 3.19 . . 1 . . . . . . . . 4312 1 1032 . 1 1 103 103 GLU HB2 H 1 1.31 . . 1 . . . . . . . . 4312 1 1033 . 1 1 103 103 GLU HB3 H 1 1.72 . . 1 . . . . . . . . 4312 1 1034 . 1 1 103 103 GLU HG2 H 1 1.92 . . 1 . . . . . . . . 4312 1 1035 . 1 1 103 103 GLU HG3 H 1 2.00 . . 1 . . . . . . . . 4312 1 1036 . 1 1 103 103 GLU CA C 13 60.12 . . 1 . . . . . . . . 4312 1 1037 . 1 1 103 103 GLU CB C 13 29.84 . . 1 . . . . . . . . 4312 1 1038 . 1 1 103 103 GLU CG C 13 37.55 . . 1 . . . . . . . . 4312 1 1039 . 1 1 103 103 GLU N N 15 120.70 . . 1 . . . . . . . . 4312 1 1040 . 1 1 104 104 LYS H H 1 7.14 . . 1 . . . . . . . . 4312 1 1041 . 1 1 104 104 LYS HA H 1 4.08 . . 1 . . . . . . . . 4312 1 1042 . 1 1 104 104 LYS HB3 H 1 1.93 . . 1 . . . . . . . . 4312 1 1043 . 1 1 104 104 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 4312 1 1044 . 1 1 104 104 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4312 1 1045 . 1 1 104 104 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4312 1 1046 . 1 1 104 104 LYS CA C 13 59.69 . . 1 . . . . . . . . 4312 1 1047 . 1 1 104 104 LYS CB C 13 32.59 . . 1 . . . . . . . . 4312 1 1048 . 1 1 104 104 LYS CG C 13 25.64 . . 1 . . . . . . . . 4312 1 1049 . 1 1 104 104 LYS CD C 13 29.28 . . 1 . . . . . . . . 4312 1 1050 . 1 1 104 104 LYS CE C 13 41.96 . . 1 . . . . . . . . 4312 1 1051 . 1 1 104 104 LYS N N 15 117.58 . . 1 . . . . . . . . 4312 1 1052 . 1 1 105 105 PHE H H 1 7.87 . . 1 . . . . . . . . 4312 1 1053 . 1 1 105 105 PHE HA H 1 4.33 . . 1 . . . . . . . . 4312 1 1054 . 1 1 105 105 PHE HB2 H 1 3.05 . . 1 . . . . . . . . 4312 1 1055 . 1 1 105 105 PHE HB3 H 1 3.13 . . 1 . . . . . . . . 4312 1 1056 . 1 1 105 105 PHE HD1 H 1 7.18 . . 3 . . . . . . . . 4312 1 1057 . 1 1 105 105 PHE CA C 13 61.23 . . 1 . . . . . . . . 4312 1 1058 . 1 1 105 105 PHE CB C 13 39.20 . . 1 . . . . . . . . 4312 1 1059 . 1 1 105 105 PHE CD1 C 13 133.80 . . 3 . . . . . . . . 4312 1 1060 . 1 1 105 105 PHE N N 15 121.03 . . 1 . . . . . . . . 4312 1 1061 . 1 1 106 106 PHE H H 1 9.13 . . 1 . . . . . . . . 4312 1 1062 . 1 1 106 106 PHE HA H 1 3.96 . . 1 . . . . . . . . 4312 1 1063 . 1 1 106 106 PHE HB2 H 1 3.07 . . 1 . . . . . . . . 4312 1 1064 . 1 1 106 106 PHE HB3 H 1 3.29 . . 1 . . . . . . . . 4312 1 1065 . 1 1 106 106 PHE HD1 H 1 6.90 . . 3 . . . . . . . . 4312 1 1066 . 1 1 106 106 PHE HE1 H 1 7.01 . . 3 . . . . . . . . 4312 1 1067 . 1 1 106 106 PHE CA C 13 60.69 . . 1 . . . . . . . . 4312 1 1068 . 1 1 106 106 PHE CB C 13 38.64 . . 1 . . . . . . . . 4312 1 1069 . 1 1 106 106 PHE CD1 C 13 133.25 . . 3 . . . . . . . . 4312 1 1070 . 1 1 106 106 PHE CE1 C 13 132.70 . . 3 . . . . . . . . 4312 1 1071 . 1 1 106 106 PHE N N 15 120.70 . . 1 . . . . . . . . 4312 1 1072 . 1 1 107 107 PHE H H 1 8.36 . . 1 . . . . . . . . 4312 1 1073 . 1 1 107 107 PHE HA H 1 3.84 . . 1 . . . . . . . . 4312 1 1074 . 1 1 107 107 PHE HB3 H 1 3.06 . . 1 . . . . . . . . 4312 1 1075 . 1 1 107 107 PHE HD1 H 1 7.17 . . 3 . . . . . . . . 4312 1 1076 . 1 1 107 107 PHE HE1 H 1 7.29 . . 3 . . . . . . . . 4312 1 1077 . 1 1 107 107 PHE HZ H 1 7.43 . . 1 . . . . . . . . 4312 1 1078 . 1 1 107 107 PHE CA C 13 61.77 . . 1 . . . . . . . . 4312 1 1079 . 1 1 107 107 PHE CB C 13 38.09 . . 1 . . . . . . . . 4312 1 1080 . 1 1 107 107 PHE CD1 C 13 133.25 . . 3 . . . . . . . . 4312 1 1081 . 1 1 107 107 PHE CE1 C 13 132.70 . . 3 . . . . . . . . 4312 1 1082 . 1 1 107 107 PHE CZ C 13 131.60 . . 1 . . . . . . . . 4312 1 1083 . 1 1 107 107 PHE N N 15 118.08 . . 1 . . . . . . . . 4312 1 1084 . 1 1 108 108 SER H H 1 7.91 . . 1 . . . . . . . . 4312 1 1085 . 1 1 108 108 SER HA H 1 4.20 . . 1 . . . . . . . . 4312 1 1086 . 1 1 108 108 SER HB3 H 1 4.01 . . 1 . . . . . . . . 4312 1 1087 . 1 1 108 108 SER CA C 13 61.77 . . 1 . . . . . . . . 4312 1 1088 . 1 1 108 108 SER CB C 13 62.88 . . 1 . . . . . . . . 4312 1 1089 . 1 1 108 108 SER N N 15 114.96 . . 1 . . . . . . . . 4312 1 1090 . 1 1 109 109 LYS H H 1 7.94 . . 1 . . . . . . . . 4312 1 1091 . 1 1 109 109 LYS HA H 1 4.01 . . 1 . . . . . . . . 4312 1 1092 . 1 1 109 109 LYS HB2 H 1 1.57 . . 1 . . . . . . . . 4312 1 1093 . 1 1 109 109 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 4312 1 1094 . 1 1 109 109 LYS HG3 H 1 0.83 . . 1 . . . . . . . . 4312 1 1095 . 1 1 109 109 LYS HD3 H 1 1.40 . . 1 . . . . . . . . 4312 1 1096 . 1 1 109 109 LYS HE2 H 1 2.42 . . 1 . . . . . . . . 4312 1 1097 . 1 1 109 109 LYS HE3 H 1 2.57 . . 1 . . . . . . . . 4312 1 1098 . 1 1 109 109 LYS CA C 13 56.82 . . 1 . . . . . . . . 4312 1 1099 . 1 1 109 109 LYS CB C 13 31.49 . . 1 . . . . . . . . 4312 1 1100 . 1 1 109 109 LYS CG C 13 23.23 . . 1 . . . . . . . . 4312 1 1101 . 1 1 109 109 LYS CD C 13 27.08 . . 1 . . . . . . . . 4312 1 1102 . 1 1 109 109 LYS CE C 13 42.50 . . 1 . . . . . . . . 4312 1 1103 . 1 1 109 109 LYS N N 15 120.86 . . 1 . . . . . . . . 4312 1 1104 . 1 1 110 110 ILE H H 1 8.10 . . 1 . . . . . . . . 4312 1 1105 . 1 1 110 110 ILE HA H 1 3.82 . . 1 . . . . . . . . 4312 1 1106 . 1 1 110 110 ILE HB H 1 1.75 . . 1 . . . . . . . . 4312 1 1107 . 1 1 110 110 ILE HG12 H 1 1.07 . . 1 . . . . . . . . 4312 1 1108 . 1 1 110 110 ILE HG13 H 1 1.14 . . 1 . . . . . . . . 4312 1 1109 . 1 1 110 110 ILE HG21 H 1 0.65 . . 1 . . . . . . . . 4312 1 1110 . 1 1 110 110 ILE HG22 H 1 0.65 . . 1 . . . . . . . . 4312 1 1111 . 1 1 110 110 ILE HG23 H 1 0.65 . . 1 . . . . . . . . 4312 1 1112 . 1 1 110 110 ILE HD11 H 1 0.54 . . 1 . . . . . . . . 4312 1 1113 . 1 1 110 110 ILE HD12 H 1 0.54 . . 1 . . . . . . . . 4312 1 1114 . 1 1 110 110 ILE HD13 H 1 0.54 . . 1 . . . . . . . . 4312 1 1115 . 1 1 110 110 ILE CA C 13 64.53 . . 1 . . . . . . . . 4312 1 1116 . 1 1 110 110 ILE CB C 13 36.99 . . 1 . . . . . . . . 4312 1 1117 . 1 1 110 110 ILE CG1 C 13 26.53 . . 1 . . . . . . . . 4312 1 1118 . 1 1 110 110 ILE CG2 C 13 18.82 . . 1 . . . . . . . . 4312 1 1119 . 1 1 110 110 ILE CD1 C 13 13.31 . . 1 . . . . . . . . 4312 1 1120 . 1 1 110 110 ILE N N 15 116.93 . . 1 . . . . . . . . 4312 1 1121 . 1 1 111 111 LYS H H 1 7.55 . . 1 . . . . . . . . 4312 1 1122 . 1 1 111 111 LYS HA H 1 4.04 . . 1 . . . . . . . . 4312 1 1123 . 1 1 111 111 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 4312 1 1124 . 1 1 111 111 LYS HB3 H 1 1.88 . . 1 . . . . . . . . 4312 1 1125 . 1 1 111 111 LYS HG2 H 1 1.30 . . 1 . . . . . . . . 4312 1 1126 . 1 1 111 111 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 4312 1 1127 . 1 1 111 111 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 4312 1 1128 . 1 1 111 111 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 4312 1 1129 . 1 1 111 111 LYS CA C 13 59.02 . . 1 . . . . . . . . 4312 1 1130 . 1 1 111 111 LYS CB C 13 32.36 . . 1 . . . . . . . . 4312 1 1131 . 1 1 111 111 LYS CG C 13 24.88 . . 1 . . . . . . . . 4312 1 1132 . 1 1 111 111 LYS CD C 13 29.28 . . 1 . . . . . . . . 4312 1 1133 . 1 1 111 111 LYS CE C 13 41.40 . . 1 . . . . . . . . 4312 1 1134 . 1 1 111 111 LYS N N 15 122.18 . . 1 . . . . . . . . 4312 1 1135 . 1 1 112 112 GLU H H 1 8.06 . . 1 . . . . . . . . 4312 1 1136 . 1 1 112 112 GLU HA H 1 4.00 . . 1 . . . . . . . . 4312 1 1137 . 1 1 112 112 GLU HB3 H 1 2.06 . . 1 . . . . . . . . 4312 1 1138 . 1 1 112 112 GLU HG2 H 1 2.21 . . 1 . . . . . . . . 4312 1 1139 . 1 1 112 112 GLU HG3 H 1 2.34 . . 1 . . . . . . . . 4312 1 1140 . 1 1 112 112 GLU CA C 13 59.02 . . 1 . . . . . . . . 4312 1 1141 . 1 1 112 112 GLU CB C 13 29.83 . . 1 . . . . . . . . 4312 1 1142 . 1 1 112 112 GLU CG C 13 36.05 . . 1 . . . . . . . . 4312 1 1143 . 1 1 112 112 GLU N N 15 121.19 . . 1 . . . . . . . . 4312 1 1144 . 1 1 113 113 ALA H H 1 7.62 . . 1 . . . . . . . . 4312 1 1145 . 1 1 113 113 ALA HA H 1 4.29 . . 1 . . . . . . . . 4312 1 1146 . 1 1 113 113 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4312 1 1147 . 1 1 113 113 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4312 1 1148 . 1 1 113 113 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4312 1 1149 . 1 1 113 113 ALA CA C 13 52.41 . . 1 . . . . . . . . 4312 1 1150 . 1 1 113 113 ALA CB C 13 19.92 . . 1 . . . . . . . . 4312 1 1151 . 1 1 113 113 ALA N N 15 117.75 . . 1 . . . . . . . . 4312 1 1152 . 1 1 114 114 GLY H H 1 7.74 . . 1 . . . . . . . . 4312 1 1153 . 1 1 114 114 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 4312 1 1154 . 1 1 114 114 GLY HA3 H 1 4.02 . . 1 . . . . . . . . 4312 1 1155 . 1 1 114 114 GLY CA C 13 45.90 . . 1 . . . . . . . . 4312 1 1156 . 1 1 114 114 GLY N N 15 105.85 . . 1 . . . . . . . . 4312 1 1157 . 1 1 115 115 LEU H H 1 7.74 . . 1 . . . . . . . . 4312 1 1158 . 1 1 115 115 LEU HA H 1 4.21 . . 1 . . . . . . . . 4312 1 1159 . 1 1 115 115 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 4312 1 1160 . 1 1 115 115 LEU HG H 1 1.54 . . 1 . . . . . . . . 4312 1 1161 . 1 1 115 115 LEU HD11 H 1 0.71 . . 1 . . . . . . . . 4312 1 1162 . 1 1 115 115 LEU HD12 H 1 0.71 . . 1 . . . . . . . . 4312 1 1163 . 1 1 115 115 LEU HD13 H 1 0.71 . . 1 . . . . . . . . 4312 1 1164 . 1 1 115 115 LEU CA C 13 55.72 . . 1 . . . . . . . . 4312 1 1165 . 1 1 115 115 LEU CB C 13 43.05 . . 1 . . . . . . . . 4312 1 1166 . 1 1 115 115 LEU CG C 13 27.63 . . 1 . . . . . . . . 4312 1 1167 . 1 1 115 115 LEU CD1 C 13 23.78 . . 1 . . . . . . . . 4312 1 1168 . 1 1 115 115 LEU N N 15 117.91 . . 1 . . . . . . . . 4312 1 1169 . 1 1 116 116 ILE H H 1 7.46 . . 1 . . . . . . . . 4312 1 1170 . 1 1 116 116 ILE HA H 1 4.23 . . 1 . . . . . . . . 4312 1 1171 . 1 1 116 116 ILE HB H 1 1.81 . . 1 . . . . . . . . 4312 1 1172 . 1 1 116 116 ILE HG12 H 1 0.92 . . 1 . . . . . . . . 4312 1 1173 . 1 1 116 116 ILE HG13 H 1 1.31 . . 1 . . . . . . . . 4312 1 1174 . 1 1 116 116 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 4312 1 1175 . 1 1 116 116 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 4312 1 1176 . 1 1 116 116 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 4312 1 1177 . 1 1 116 116 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 4312 1 1178 . 1 1 116 116 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 4312 1 1179 . 1 1 116 116 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 4312 1 1180 . 1 1 116 116 ILE CA C 13 60.68 . . 1 . . . . . . . . 4312 1 1181 . 1 1 116 116 ILE CB C 13 39.75 . . 1 . . . . . . . . 4312 1 1182 . 1 1 116 116 ILE CG1 C 13 27.08 . . 1 . . . . . . . . 4312 1 1183 . 1 1 116 116 ILE CG2 C 13 17.72 . . 1 . . . . . . . . 4312 1 1184 . 1 1 116 116 ILE CD1 C 13 13.31 . . 1 . . . . . . . . 4312 1 1185 . 1 1 116 116 ILE N N 15 115.45 . . 1 . . . . . . . . 4312 1 1186 . 1 1 117 117 ASP H H 1 8.27 . . 1 . . . . . . . . 4312 1 1187 . 1 1 117 117 ASP HA H 1 4.57 . . 1 . . . . . . . . 4312 1 1188 . 1 1 117 117 ASP HB2 H 1 2.54 . . 1 . . . . . . . . 4312 1 1189 . 1 1 117 117 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4312 1 1190 . 1 1 117 117 ASP CA C 13 54.62 . . 1 . . . . . . . . 4312 1 1191 . 1 1 117 117 ASP CB C 13 41.40 . . 1 . . . . . . . . 4312 1 1192 . 1 1 117 117 ASP N N 15 123.49 . . 1 . . . . . . . . 4312 1 1193 . 1 1 118 118 LYS H H 1 7.77 . . 1 . . . . . . . . 4312 1 1194 . 1 1 118 118 LYS HA H 1 4.08 . . 1 . . . . . . . . 4312 1 1195 . 1 1 118 118 LYS CA C 13 57.72 . . 1 . . . . . . . . 4312 1 1196 . 1 1 118 118 LYS CB C 13 33.41 . . 1 . . . . . . . . 4312 1 1197 . 1 1 118 118 LYS N N 15 125.45 . . 1 . . . . . . . . 4312 1 stop_ save_