data_5306 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5306 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the HIF-1alpha CTAD/p300 CH1 Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-26 _Entry.Accession_date 2002-02-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Steven Freedman . J. . 5306 2 Zhen-Yu Sun . J. . 5306 3 Florence Poy . . . 5306 4 Andrew Kung . L. . 5306 5 David Livingston . M. . 5306 6 Gerhard Wagner . . . 5306 7 Michael Eck . J. . 5306 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5306 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 805 5306 '13C chemical shifts' 557 5306 '15N chemical shifts' 146 5306 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 . . 2003-05-01 . update author 'correction of chemical shifts' 5306 2 . . 2002-05-15 . original author 'original release' 5306 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5306 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21957254 _Citation.DOI . _Citation.PubMed_ID 11959990 _Citation.Full_citation . _Citation.Title ; Structural Basis for Recruitment of CBP/p300 by Hypoxia-inducible Factor-1 alpha ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 99 _Citation.Journal_issue 8 _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 5367 _Citation.Page_last 5372 _Citation.Year 2002 _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 Steven Freedman . J. . 5306 1 2 Zhen-Yu Sun . J. . 5306 1 3 Florence Poy . . . 5306 1 4 Andrew Kung . L. . 5306 1 5 David Livingston . M. . 5306 1 6 Gerhard Wagner . . . 5306 1 7 Michael Eck . J. . 5306 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein-protein complex' 5306 1 NMR 5306 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HIF-1alpha-p300_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HIF-1alpha-p300_complex _Assembly.Entry_ID 5306 _Assembly.ID 1 _Assembly.Name 'hypoxia inducible factor-1alpha/p300 complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 5306 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 'HIF-1alpha C-terminal activation domain' 1 $CTAD . . . native . . . . . 5306 1 2 'p300 cysteine/histidine-rich 1 domain' 2 $CH1 . . . native . . . . . 5306 1 3 'ZINC (II) ION, I' 3 $ZN . . . native . . . . . 5306 1 4 'ZINC (II) ION, II' 3 $ZN . . . native . . . . . 5306 1 5 'ZINC (II) ION, III' 3 $ZN . . . native . . . . . 5306 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 3 'ZINC (II) ION, I' 3 ZN 1 1 ZN . 2 . 2 HIS 25 25 NE2 . . . . . . . . . . 5306 1 2 coordination single . 3 'ZINC (II) ION, I' 3 ZN 1 1 ZN . 2 . 2 CYS 29 29 SG . . . . . . . . . . 5306 1 3 coordination single . 3 'ZINC (II) ION, I' 3 ZN 1 1 ZN . 2 . 2 CYS 42 42 SG . . . . . . . . . . 5306 1 4 coordination single . 3 'ZINC (II) ION, I' 3 ZN 1 1 ZN . 2 . 2 CYS 47 47 SG . . . . . . . . . . 5306 1 5 coordination single . 4 'ZINC (II) ION, II' 3 ZN 1 1 ZN . 2 . 2 HIS 56 56 NE2 . . . . . . . . . . 5306 1 6 coordination single . 4 'ZINC (II) ION, II' 3 ZN 1 1 ZN . 2 . 2 CYS 60 60 SG . . . . . . . . . . 5306 1 7 coordination single . 4 'ZINC (II) ION, II' 3 ZN 1 1 ZN . 2 . 2 CYS 66 66 SG . . . . . . . . . . 5306 1 8 coordination single . 4 'ZINC (II) ION, II' 3 ZN 1 1 ZN . 2 . 2 CYS 71 71 SG . . . . . . . . . . 5306 1 9 coordination single . 5 'ZINC (II) ION, III' 3 ZN 1 1 ZN . 2 . 2 HIS 80 80 NE2 . . . . . . . . . . 5306 1 10 coordination single . 5 'ZINC (II) ION, III' 3 ZN 1 1 ZN . 2 . 2 CYS 84 84 SG . . . . . . . . . . 5306 1 11 coordination single . 5 'ZINC (II) ION, III' 3 ZN 1 1 ZN . 2 . 2 CYS 89 89 SG . . . . . . . . . . 5306 1 12 coordination single . 5 'ZINC (II) ION, III' 3 ZN 1 1 ZN . 2 . 2 CYS 92 92 SG . . . . . . . . . . 5306 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1L3E . . . . . . 5306 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hypoxia inducible factor-1alpha/p300 complex' system 5306 1 'HIF-1alpha/p300 complex' abbreviation 5306 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CTAD _Entity.Sf_category entity _Entity.Sf_framecode CTAD _Entity.Entry_ID 5306 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal activation domain of hypoxia inducible factor-1alpha' _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 ; GSMDESGLPQLTSYDCEVNA PIQGSRNLLQGEELLRALDQ VN ; _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 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The N-terminal glycine is vector-derived. N803 is hydroxylated under certain conditions. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5788 . p300_CH1 . . . . . 100.00 101 100.00 100.00 1.59e-66 . . . . 5306 1 2 no PDB 1L3E . "Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX" . . . . . 100.00 101 100.00 100.00 1.59e-66 . . . . 5306 1 3 no PDB 1P4Q . "Solution Structure Of The Cited2 Transactivation Domain In Complex With The P300 Ch1 Domain" . . . . . 100.00 101 100.00 100.00 1.59e-66 . . . . 5306 1 4 no DBJ BAC31311 . "unnamed protein product [Mus musculus]" . . . . . 100.00 714 100.00 100.00 5.64e-66 . . . . 5306 1 5 no DBJ BAG10860 . "E1A binding protein p300 [synthetic construct]" . . . . . 100.00 2414 100.00 100.00 2.33e-63 . . . . 5306 1 6 no EMBL CAF93378 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 94.06 492 98.95 100.00 2.69e-62 . . . . 5306 1 7 no EMBL CAF95299 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 94.06 2730 98.95 100.00 1.80e-58 . . . . 5306 1 8 no EMBL CAG04516 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 94.06 2539 98.95 100.00 2.05e-58 . . . . 5306 1 9 no EMBL CBN81203 . "Histone acetyltransferase p300 [Dicentrarchus labrax]" . . . . . 94.06 2912 98.95 100.00 1.00e-58 . . . . 5306 1 10 no EMBL CDQ80651 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 94.06 701 98.95 100.00 1.27e-60 . . . . 5306 1 11 no GB AAA18639 . "p300 protein [Homo sapiens]" . . . . . 100.00 2414 100.00 100.00 2.33e-63 . . . . 5306 1 12 no GB AAB31182 . "p300=transcription coactivator {N-terminal} [mice, Peptide Partial, 688 aa]" . . . . . 100.00 688 98.02 99.01 1.08e-64 . . . . 5306 1 13 no GB AAH53889 . "EP300 protein, partial [Homo sapiens]" . . . . . 100.00 1553 100.00 100.00 8.39e-64 . . . . 5306 1 14 no GB AAI44977 . "Ep300 protein [Mus musculus]" . . . . . 100.00 2415 100.00 100.00 2.38e-63 . . . . 5306 1 15 no GB AAI50682 . "Ep300 protein [Mus musculus]" . . . . . 100.00 2415 100.00 100.00 2.38e-63 . . . . 5306 1 16 no REF NP_001231599 . "histone acetyltransferase p300 [Pan troglodytes]" . . . . . 100.00 2411 100.00 100.00 2.33e-63 . . . . 5306 1 17 no REF NP_001253415 . "histone acetyltransferase p300 [Macaca mulatta]" . . . . . 100.00 2414 100.00 100.00 2.65e-63 . . . . 5306 1 18 no REF NP_001420 . "histone acetyltransferase p300 [Homo sapiens]" . . . . . 100.00 2414 100.00 100.00 2.33e-63 . . . . 5306 1 19 no REF NP_808489 . "histone acetyltransferase p300 [Mus musculus]" . . . . . 100.00 2412 100.00 100.00 2.64e-63 . . . . 5306 1 20 no REF XP_001076610 . "PREDICTED: histone acetyltransferase p300 isoform X1 [Rattus norvegicus]" . . . . . 100.00 2413 100.00 100.00 2.33e-63 . . . . 5306 1 21 no SP B2RWS6 . "RecName: Full=Histone acetyltransferase p300; Short=p300 HAT; AltName: Full=E1A-associated protein p300 [Mus musculus]" . . . . . 100.00 2412 100.00 100.00 2.64e-63 . . . . 5306 1 22 no SP Q09472 . "RecName: Full=Histone acetyltransferase p300; Short=p300 HAT; AltName: Full=E1A-associated protein p300 [Homo sapiens]" . . . . . 100.00 2414 100.00 100.00 2.33e-63 . . . . 5306 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal activation domain of hypoxia inducible factor-1alpha' common 5306 1 CTAD abbreviation 5306 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 -1 GLY . 5306 1 2 786 SER . 5306 1 3 787 MET . 5306 1 4 788 ASP . 5306 1 5 789 GLU . 5306 1 6 790 SER . 5306 1 7 791 GLY . 5306 1 8 792 LEU . 5306 1 9 793 PRO . 5306 1 10 794 GLN . 5306 1 11 795 LEU . 5306 1 12 796 THR . 5306 1 13 797 SER . 5306 1 14 798 TYR . 5306 1 15 799 ASP . 5306 1 16 800 CYS . 5306 1 17 801 GLU . 5306 1 18 802 VAL . 5306 1 19 803 ASN . 5306 1 20 804 ALA . 5306 1 21 805 PRO . 5306 1 22 806 ILE . 5306 1 23 807 GLN . 5306 1 24 808 GLY . 5306 1 25 809 SER . 5306 1 26 810 ARG . 5306 1 27 811 ASN . 5306 1 28 812 LEU . 5306 1 29 813 LEU . 5306 1 30 814 GLN . 5306 1 31 815 GLY . 5306 1 32 816 GLU . 5306 1 33 817 GLU . 5306 1 34 818 LEU . 5306 1 35 819 LEU . 5306 1 36 820 ARG . 5306 1 37 821 ALA . 5306 1 38 822 LEU . 5306 1 39 823 ASP . 5306 1 40 824 GLN . 5306 1 41 825 VAL . 5306 1 42 826 ASN . 5306 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 5306 1 . SER 2 2 5306 1 . MET 3 3 5306 1 . ASP 4 4 5306 1 . GLU 5 5 5306 1 . SER 6 6 5306 1 . GLY 7 7 5306 1 . LEU 8 8 5306 1 . PRO 9 9 5306 1 . GLN 10 10 5306 1 . LEU 11 11 5306 1 . THR 12 12 5306 1 . SER 13 13 5306 1 . TYR 14 14 5306 1 . ASP 15 15 5306 1 . CYS 16 16 5306 1 . GLU 17 17 5306 1 . VAL 18 18 5306 1 . ASN 19 19 5306 1 . ALA 20 20 5306 1 . PRO 21 21 5306 1 . ILE 22 22 5306 1 . GLN 23 23 5306 1 . GLY 24 24 5306 1 . SER 25 25 5306 1 . ARG 26 26 5306 1 . ASN 27 27 5306 1 . LEU 28 28 5306 1 . LEU 29 29 5306 1 . GLN 30 30 5306 1 . GLY 31 31 5306 1 . GLU 32 32 5306 1 . GLU 33 33 5306 1 . LEU 34 34 5306 1 . LEU 35 35 5306 1 . ARG 36 36 5306 1 . ALA 37 37 5306 1 . LEU 38 38 5306 1 . ASP 39 39 5306 1 . GLN 40 40 5306 1 . VAL 41 41 5306 1 . ASN 42 42 5306 1 stop_ save_ save_CH1 _Entity.Sf_category entity _Entity.Sf_framecode CH1 _Entity.Entry_ID 5306 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'p300 cysteine/histidine-rich 1 domain' _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 ; MGSGAHTADPEKRKLIQQQL VLLLHAHKCQRREQANGEVR QCNLPHCRTMKNVLNHMTHC QSGKSCQVAHCASSRQIISH WKNCTRHDCPVCLPLKNAGD K ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'CREB-binding protein (CBP) is a homologue of p300 containing a CH1 domain.' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q09472 . 'Histone acetyltransferase p300 (E1A-associated protein p300)' . . . . . 100.00 2414 100.00 100.00 5.52e-49 . . . . 5306 2 . . REF XP_001168324 . 'PREDICTED: hypothetical protein isoform 1 [Pan troglodytes]' . . . . . 100.00 1393 100.00 100.00 1.60e-56 . . . . 5306 2 . . REF XP_001102844 . 'PREDICTED: E1A binding protein p300 [Macaca mulatta]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5306 2 . . REF XP_001076610 . 'PREDICTED: similar to E1A binding protein p300 [Rattus norvegicus]' . . . . . 100.00 2413 100.00 100.00 4.67e-49 . . . . 5306 2 . . REF NP_808489 . 'E1A binding protein p300 [Mus musculus]' . . . . . 100.00 2412 100.00 100.00 4.79e-49 . . . . 5306 2 . . REF NP_001420 . 'E1A binding protein p300 [Homo sapiens]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5306 2 . . GenBank EAW60408 . 'E1A binding protein p300 [Homo sapiens]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5306 2 . . GenBank AAI50682 . 'Ep300 protein [Mus musculus]' . . . . . 100.00 2415 100.00 100.00 4.60e-49 . . . . 5306 2 . . GenBank AAH53889 . 'EP300 protein [Homo sapiens]' . . . . . 100.00 1553 100.00 100.00 2.24e-56 . . . . 5306 2 . . GenBank AAB31182 . 'p300=transcription coactivator {N-terminal} [mice, Peptide Partial, 688 aa]' . . . . . 100.00 688 98.02 99.01 1.18e-55 . . . . 5306 2 . . GenBank AAA18639 . 'p300 protein' . . . . . 100.00 2414 100.00 100.00 5.52e-49 . . . . 5306 2 . . EMBL CAH73688 . 'E1A binding protein p300 [Homo sapiens]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5306 2 . . EMBL CAH70384 . 'E1A binding protein p300 [Homo sapiens]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5306 2 . . EMBL CAG04516 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 90.10 2539 98.90 100.00 4.88e-42 . . . . 5306 2 . . EMBL CAF95299 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 94.06 2730 98.95 100.00 8.82e-45 . . . . 5306 2 . . EMBL CAF93378 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 94.06 492 98.95 100.00 1.31e-52 . . . . 5306 2 . . DBJ BAG10860 . 'E1A binding protein p300 [synthetic construct]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5306 2 . . DBJ BAC31311 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 714 100.00 100.00 8.22e-57 . . . . 5306 2 . . PDB 1P4Q . 'Solution Structure Of The Cited2 Transactivation Domain In Complex With The P300 Ch1 Domain' . . . . . 100.00 101 100.00 100.00 2.88e-52 . . . . 5306 2 . . PDB 1L3E . 'Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX' . . . . . 100.00 101 100.00 100.00 2.88e-52 . . . . 5306 2 . . BMRB 5788 . 'p300 cysteine/histidine-rich 1 domain' . . . . . 100.00 101 100.00 100.00 2.88e-52 . . . . 5306 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'p300 cysteine/histidine-rich 1 domain' common 5306 2 CH1 abbreviation 5306 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 323 MET . 5306 2 2 324 GLY . 5306 2 3 325 SER . 5306 2 4 326 GLY . 5306 2 5 327 ALA . 5306 2 6 328 HIS . 5306 2 7 329 THR . 5306 2 8 330 ALA . 5306 2 9 331 ASP . 5306 2 10 332 PRO . 5306 2 11 333 GLU . 5306 2 12 334 LYS . 5306 2 13 335 ARG . 5306 2 14 336 LYS . 5306 2 15 337 LEU . 5306 2 16 338 ILE . 5306 2 17 339 GLN . 5306 2 18 340 GLN . 5306 2 19 341 GLN . 5306 2 20 342 LEU . 5306 2 21 343 VAL . 5306 2 22 344 LEU . 5306 2 23 345 LEU . 5306 2 24 346 LEU . 5306 2 25 347 HIS . 5306 2 26 348 ALA . 5306 2 27 349 HIS . 5306 2 28 350 LYS . 5306 2 29 351 CYS . 5306 2 30 352 GLN . 5306 2 31 353 ARG . 5306 2 32 354 ARG . 5306 2 33 355 GLU . 5306 2 34 356 GLN . 5306 2 35 357 ALA . 5306 2 36 358 ASN . 5306 2 37 359 GLY . 5306 2 38 360 GLU . 5306 2 39 361 VAL . 5306 2 40 362 ARG . 5306 2 41 363 GLN . 5306 2 42 364 CYS . 5306 2 43 365 ASN . 5306 2 44 366 LEU . 5306 2 45 367 PRO . 5306 2 46 368 HIS . 5306 2 47 369 CYS . 5306 2 48 370 ARG . 5306 2 49 371 THR . 5306 2 50 372 MET . 5306 2 51 373 LYS . 5306 2 52 374 ASN . 5306 2 53 375 VAL . 5306 2 54 376 LEU . 5306 2 55 377 ASN . 5306 2 56 378 HIS . 5306 2 57 379 MET . 5306 2 58 380 THR . 5306 2 59 381 HIS . 5306 2 60 382 CYS . 5306 2 61 383 GLN . 5306 2 62 384 SER . 5306 2 63 385 GLY . 5306 2 64 386 LYS . 5306 2 65 387 SER . 5306 2 66 388 CYS . 5306 2 67 389 GLN . 5306 2 68 390 VAL . 5306 2 69 391 ALA . 5306 2 70 392 HIS . 5306 2 71 393 CYS . 5306 2 72 394 ALA . 5306 2 73 395 SER . 5306 2 74 396 SER . 5306 2 75 397 ARG . 5306 2 76 398 GLN . 5306 2 77 399 ILE . 5306 2 78 400 ILE . 5306 2 79 401 SER . 5306 2 80 402 HIS . 5306 2 81 403 TRP . 5306 2 82 404 LYS . 5306 2 83 405 ASN . 5306 2 84 406 CYS . 5306 2 85 407 THR . 5306 2 86 408 ARG . 5306 2 87 409 HIS . 5306 2 88 410 ASP . 5306 2 89 411 CYS . 5306 2 90 412 PRO . 5306 2 91 413 VAL . 5306 2 92 414 CYS . 5306 2 93 415 LEU . 5306 2 94 416 PRO . 5306 2 95 417 LEU . 5306 2 96 418 LYS . 5306 2 97 419 ASN . 5306 2 98 420 ALA . 5306 2 99 421 GLY . 5306 2 100 422 ASP . 5306 2 101 423 LYS . 5306 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5306 2 . GLY 2 2 5306 2 . SER 3 3 5306 2 . GLY 4 4 5306 2 . ALA 5 5 5306 2 . HIS 6 6 5306 2 . THR 7 7 5306 2 . ALA 8 8 5306 2 . ASP 9 9 5306 2 . PRO 10 10 5306 2 . GLU 11 11 5306 2 . LYS 12 12 5306 2 . ARG 13 13 5306 2 . LYS 14 14 5306 2 . LEU 15 15 5306 2 . ILE 16 16 5306 2 . GLN 17 17 5306 2 . GLN 18 18 5306 2 . GLN 19 19 5306 2 . LEU 20 20 5306 2 . VAL 21 21 5306 2 . LEU 22 22 5306 2 . LEU 23 23 5306 2 . LEU 24 24 5306 2 . HIS 25 25 5306 2 . ALA 26 26 5306 2 . HIS 27 27 5306 2 . LYS 28 28 5306 2 . CYS 29 29 5306 2 . GLN 30 30 5306 2 . ARG 31 31 5306 2 . ARG 32 32 5306 2 . GLU 33 33 5306 2 . GLN 34 34 5306 2 . ALA 35 35 5306 2 . ASN 36 36 5306 2 . GLY 37 37 5306 2 . GLU 38 38 5306 2 . VAL 39 39 5306 2 . ARG 40 40 5306 2 . GLN 41 41 5306 2 . CYS 42 42 5306 2 . ASN 43 43 5306 2 . LEU 44 44 5306 2 . PRO 45 45 5306 2 . HIS 46 46 5306 2 . CYS 47 47 5306 2 . ARG 48 48 5306 2 . THR 49 49 5306 2 . MET 50 50 5306 2 . LYS 51 51 5306 2 . ASN 52 52 5306 2 . VAL 53 53 5306 2 . LEU 54 54 5306 2 . ASN 55 55 5306 2 . HIS 56 56 5306 2 . MET 57 57 5306 2 . THR 58 58 5306 2 . HIS 59 59 5306 2 . CYS 60 60 5306 2 . GLN 61 61 5306 2 . SER 62 62 5306 2 . GLY 63 63 5306 2 . LYS 64 64 5306 2 . SER 65 65 5306 2 . CYS 66 66 5306 2 . GLN 67 67 5306 2 . VAL 68 68 5306 2 . ALA 69 69 5306 2 . HIS 70 70 5306 2 . CYS 71 71 5306 2 . ALA 72 72 5306 2 . SER 73 73 5306 2 . SER 74 74 5306 2 . ARG 75 75 5306 2 . GLN 76 76 5306 2 . ILE 77 77 5306 2 . ILE 78 78 5306 2 . SER 79 79 5306 2 . HIS 80 80 5306 2 . TRP 81 81 5306 2 . LYS 82 82 5306 2 . ASN 83 83 5306 2 . CYS 84 84 5306 2 . THR 85 85 5306 2 . ARG 86 86 5306 2 . HIS 87 87 5306 2 . ASP 88 88 5306 2 . CYS 89 89 5306 2 . PRO 90 90 5306 2 . VAL 91 91 5306 2 . CYS 92 92 5306 2 . LEU 93 93 5306 2 . PRO 94 94 5306 2 . LEU 95 95 5306 2 . LYS 96 96 5306 2 . ASN 97 97 5306 2 . ALA 98 98 5306 2 . GLY 99 99 5306 2 . ASP 100 100 5306 2 . LYS 101 101 5306 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5306 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . ZN . 5306 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5306 _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 $CTAD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5306 1 2 2 $CH1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5306 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 5306 _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 $CTAD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'GST-CTAD is coexpressed with CH1, purified as a complex, and the GST removed by proteolysis.' . . 5306 1 2 2 $CH1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'GST-CTAD is coexpressed with CH1, purified as a complex, and the GST removed by proteolysis.' . . 5306 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 5306 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 5306 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5306 ZN [Zn++] SMILES CACTVS 3.341 5306 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5306 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5306 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 5306 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 5306 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 5306 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5306 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5306 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5306 _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 'C-terminal activation domain of hypoxia inducible factor-1alpha' . . . 1 $CTAD . . 1.0 0.8 1.2 mM . . . . 5306 1 2 'p300 cysteine/histidine-rich 1 domain' . . . 2 $CH1 . . 1.0 0.8 1.2 mM . . . . 5306 1 3 ZnSO4 . . . . . . . 0.1 . . mM . . . . 5306 1 4 DTT . . . . . . . 1 . . mM . . . . 5306 1 5 NaCl . . . . . . . 100 . . mM . . . . 5306 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5306 _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 'C-terminal activation domain of hypoxia inducible factor-1alpha' [U-15N] . . 1 $CTAD . . 1.0 0.8 1.2 mM . . . . 5306 2 2 'p300 cysteine/histidine-rich 1 domain' [U-15N] . . 2 $CH1 . . 1.0 0.8 1.2 mM . . . . 5306 2 3 ZnSO4 . . . . . . . 0.1 . . mM . . . . 5306 2 4 DTT . . . . . . . 1 . . mM . . . . 5306 2 5 NaCl . . . . . . . 100 . . mM . . . . 5306 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5306 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal activation domain of hypoxia inducible factor-1alpha' '[U-13C; U-15N]' . . 1 $CTAD . . 1.0 0.8 1.2 mM . . . . 5306 3 2 'p300 cysteine/histidine-rich 1 domain' '[U-13C; U-15N]' . . 2 $CH1 . . 1.0 0.8 1.2 mM . . . . 5306 3 3 ZnSO4 . . . . . . . 0.1 . . mM . . . . 5306 3 4 DTT . . . . . . . 1 . . mM . . . . 5306 3 5 NaCl . . . . . . . 100 . . mM . . . . 5306 3 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5306 _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 6.0 0.2 n/a 5306 1 temperature 298 1 K 5306 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5306 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5306 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5306 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5306 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 500 . . . 5306 1 2 NMR_spectrometer_2 Varian UnityInova . 750 . . . 5306 1 3 NMR_spectrometer_3 Varian Unity . 500 . . . 5306 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 5306 _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 . . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5306 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 5306 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5306 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5306 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5306 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 5306 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5306 1 . . 2 $sample_2 . 5306 1 . . 3 $sample_3 . 5306 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY N N 15 114.327 0.000 . . . . . . . . . . 5306 1 2 . 1 1 1 1 GLY H H 1 8.285 0.000 . . . . . . . . . . 5306 1 3 . 1 1 1 1 GLY CA C 13 44.878 0.000 . . . . . . . . . . 5306 1 4 . 1 1 1 1 GLY C C 13 174.688 0.008 . . . . . . . . . . 5306 1 5 . 1 1 2 2 SER N N 15 115.662 0.000 . . . . . . . . . . 5306 1 6 . 1 1 2 2 SER H H 1 8.397 0.000 . . . . . . . . . . 5306 1 7 . 1 1 2 2 SER CA C 13 58.628 0.000 . . . . . . . . . . 5306 1 8 . 1 1 2 2 SER HA H 1 4.486 0.002 . . . . . . . . . . 5306 1 9 . 1 1 2 2 SER CB C 13 63.316 0.000 . . . . . . . . . . 5306 1 10 . 1 1 2 2 SER C C 13 174.864 0.000 . . . . . . . . . . 5306 1 11 . 1 1 3 3 MET N N 15 121.568 0.000 . . . . . . . . . . 5306 1 12 . 1 1 3 3 MET H H 1 8.600 0.003 . . . . . . . . . . 5306 1 13 . 1 1 3 3 MET CA C 13 55.503 0.000 . . . . . . . . . . 5306 1 14 . 1 1 3 3 MET HA H 1 4.532 0.002 . . . . . . . . . . 5306 1 15 . 1 1 3 3 MET CB C 13 32.378 0.000 . . . . . . . . . . 5306 1 16 . 1 1 3 3 MET HB2 H 1 2.100 0.003 . . . . . . . . . . 5306 1 17 . 1 1 3 3 MET HB3 H 1 2.006 0.003 . . . . . . . . . . 5306 1 18 . 1 1 3 3 MET CG C 13 32.066 0.000 . . . . . . . . . . 5306 1 19 . 1 1 3 3 MET HG2 H 1 2.595 0.003 . . . . . . . . . . 5306 1 20 . 1 1 3 3 MET HG3 H 1 2.512 0.004 . . . . . . . . . . 5306 1 21 . 1 1 3 3 MET C C 13 176.004 0.011 . . . . . . . . . . 5306 1 22 . 1 1 4 4 ASP N N 15 120.686 0.010 . . . . . . . . . . 5306 1 23 . 1 1 4 4 ASP H H 1 8.210 0.002 . . . . . . . . . . 5306 1 24 . 1 1 4 4 ASP CA C 13 54.253 0.000 . . . . . . . . . . 5306 1 25 . 1 1 4 4 ASP HA H 1 4.582 0.001 . . . . . . . . . . 5306 1 26 . 1 1 4 4 ASP CB C 13 40.816 0.000 . . . . . . . . . . 5306 1 27 . 1 1 4 4 ASP HB2 H 1 2.692 0.034 . . . . . . . . . . 5306 1 28 . 1 1 4 4 ASP HB3 H 1 2.632 0.003 . . . . . . . . . . 5306 1 29 . 1 1 4 4 ASP C C 13 176.389 0.002 . . . . . . . . . . 5306 1 30 . 1 1 5 5 GLU N N 15 121.565 0.008 . . . . . . . . . . 5306 1 31 . 1 1 5 5 GLU H H 1 8.395 0.001 . . . . . . . . . . 5306 1 32 . 1 1 5 5 GLU CA C 13 56.753 0.000 . . . . . . . . . . 5306 1 33 . 1 1 5 5 GLU HA H 1 4.318 0.002 . . . . . . . . . . 5306 1 34 . 1 1 5 5 GLU CB C 13 29.930 0.117 . . . . . . . . . . 5306 1 35 . 1 1 5 5 GLU HB2 H 1 2.121 0.009 . . . . . . . . . . 5306 1 36 . 1 1 5 5 GLU HB3 H 1 1.963 0.004 . . . . . . . . . . 5306 1 37 . 1 1 5 5 GLU CG C 13 35.816 0.000 . . . . . . . . . . 5306 1 38 . 1 1 5 5 GLU C C 13 176.699 0.000 . . . . . . . . . . 5306 1 39 . 1 1 6 6 SER N N 15 116.755 0.000 . . . . . . . . . . 5306 1 40 . 1 1 6 6 SER H H 1 8.392 0.003 . . . . . . . . . . 5306 1 41 . 1 1 6 6 SER CA C 13 58.628 0.000 . . . . . . . . . . 5306 1 42 . 1 1 6 6 SER HA H 1 4.470 0.001 . . . . . . . . . . 5306 1 43 . 1 1 6 6 SER CB C 13 63.628 0.000 . . . . . . . . . . 5306 1 44 . 1 1 6 6 SER HB2 H 1 4.016 0.000 . . . . . . . . . . 5306 1 45 . 1 1 6 6 SER HB3 H 1 3.952 0.001 . . . . . . . . . . 5306 1 46 . 1 1 6 6 SER C C 13 175.020 0.029 . . . . . . . . . . 5306 1 47 . 1 1 7 7 GLY N N 15 110.188 0.010 . . . . . . . . . . 5306 1 48 . 1 1 7 7 GLY H H 1 8.392 0.002 . . . . . . . . . . 5306 1 49 . 1 1 7 7 GLY CA C 13 44.878 0.000 . . . . . . . . . . 5306 1 50 . 1 1 7 7 GLY C C 13 173.126 0.002 . . . . . . . . . . 5306 1 51 . 1 1 8 8 LEU N N 15 123.974 0.000 . . . . . . . . . . 5306 1 52 . 1 1 8 8 LEU H H 1 7.998 0.002 . . . . . . . . . . 5306 1 53 . 1 1 8 8 LEU CA C 13 52.066 0.000 . . . . . . . . . . 5306 1 54 . 1 1 8 8 LEU HA H 1 4.293 0.002 . . . . . . . . . . 5306 1 55 . 1 1 8 8 LEU CB C 13 42.378 0.000 . . . . . . . . . . 5306 1 56 . 1 1 8 8 LEU HB2 H 1 1.386 0.005 . . . . . . . . . . 5306 1 57 . 1 1 8 8 LEU HB3 H 1 0.560 0.003 . . . . . . . . . . 5306 1 58 . 1 1 8 8 LEU CG C 13 26.128 0.000 . . . . . . . . . . 5306 1 59 . 1 1 8 8 LEU HG H 1 1.074 0.003 . . . . . . . . . . 5306 1 60 . 1 1 8 8 LEU HD11 H 1 0.385 0.001 . 1 . . . . . . . . 5306 1 61 . 1 1 8 8 LEU HD12 H 1 0.385 0.001 . 1 . . . . . . . . 5306 1 62 . 1 1 8 8 LEU HD13 H 1 0.385 0.001 . 1 . . . . . . . . 5306 1 63 . 1 1 8 8 LEU HD21 H 1 0.200 0.001 . 1 . . . . . . . . 5306 1 64 . 1 1 8 8 LEU HD22 H 1 0.200 0.001 . 1 . . . . . . . . 5306 1 65 . 1 1 8 8 LEU HD23 H 1 0.200 0.001 . 1 . . . . . . . . 5306 1 66 . 1 1 8 8 LEU CD1 C 13 23.941 0.000 . . . . . . . . . . 5306 1 67 . 1 1 8 8 LEU CD2 C 13 24.462 0.233 . . . . . . . . . . 5306 1 68 . 1 1 8 8 LEU C C 13 174.525 0.000 . . . . . . . . . . 5306 1 69 . 1 1 9 9 PRO CD C 13 50.503 0.000 . . . . . . . . . . 5306 1 70 . 1 1 9 9 PRO CA C 13 62.691 0.000 . . . . . . . . . . 5306 1 71 . 1 1 9 9 PRO HA H 1 4.290 0.001 . . . . . . . . . . 5306 1 72 . 1 1 9 9 PRO CB C 13 31.753 0.000 . . . . . . . . . . 5306 1 73 . 1 1 9 9 PRO HB2 H 1 2.244 0.004 . . . . . . . . . . 5306 1 74 . 1 1 9 9 PRO HB3 H 1 1.699 0.001 . . . . . . . . . . 5306 1 75 . 1 1 9 9 PRO CG C 13 27.378 0.000 . . . . . . . . . . 5306 1 76 . 1 1 9 9 PRO HG2 H 1 2.054 0.007 . . . . . . . . . . 5306 1 77 . 1 1 9 9 PRO HG3 H 1 1.963 0.001 . . . . . . . . . . 5306 1 78 . 1 1 9 9 PRO HD2 H 1 3.842 0.001 . . . . . . . . . . 5306 1 79 . 1 1 9 9 PRO HD3 H 1 3.386 0.002 . . . . . . . . . . 5306 1 80 . 1 1 9 9 PRO C C 13 176.286 0.000 . . . . . . . . . . 5306 1 81 . 1 1 10 10 GLN N N 15 121.579 0.029 . . . . . . . . . . 5306 1 82 . 1 1 10 10 GLN H H 1 8.530 0.007 . . . . . . . . . . 5306 1 83 . 1 1 10 10 GLN CA C 13 54.878 0.000 . . . . . . . . . . 5306 1 84 . 1 1 10 10 GLN HA H 1 4.456 0.003 . . . . . . . . . . 5306 1 85 . 1 1 10 10 GLN CB C 13 28.316 0.000 . . . . . . . . . . 5306 1 86 . 1 1 10 10 GLN HB2 H 1 1.888 0.000 . . . . . . . . . . 5306 1 87 . 1 1 10 10 GLN HB3 H 1 1.838 0.007 . . . . . . . . . . 5306 1 88 . 1 1 10 10 GLN CG C 13 34.253 0.000 . . . . . . . . . . 5306 1 89 . 1 1 10 10 GLN NE2 N 15 112.380 0.000 . . . . . . . . . . 5306 1 90 . 1 1 10 10 GLN HE21 H 1 7.600 0.001 . . . . . . . . . . 5306 1 91 . 1 1 10 10 GLN HE22 H 1 6.859 0.007 . . . . . . . . . . 5306 1 92 . 1 1 10 10 GLN C C 13 175.763 0.021 . . . . . . . . . . 5306 1 93 . 1 1 11 11 LEU N N 15 128.349 0.000 . . . . . . . . . . 5306 1 94 . 1 1 11 11 LEU H H 1 9.182 0.004 . . . . . . . . . . 5306 1 95 . 1 1 11 11 LEU CA C 13 53.003 0.000 . . . . . . . . . . 5306 1 96 . 1 1 11 11 LEU HA H 1 4.702 0.002 . . . . . . . . . . 5306 1 97 . 1 1 11 11 LEU CB C 13 43.628 0.000 . . . . . . . . . . 5306 1 98 . 1 1 11 11 LEU HB2 H 1 1.538 0.002 . . . . . . . . . . 5306 1 99 . 1 1 11 11 LEU HB3 H 1 1.354 0.001 . . . . . . . . . . 5306 1 100 . 1 1 11 11 LEU CG C 13 26.753 0.000 . . . . . . . . . . 5306 1 101 . 1 1 11 11 LEU HG H 1 1.709 0.003 . . . . . . . . . . 5306 1 102 . 1 1 11 11 LEU HD11 H 1 0.825 0.002 . 1 . . . . . . . . 5306 1 103 . 1 1 11 11 LEU HD12 H 1 0.825 0.002 . 1 . . . . . . . . 5306 1 104 . 1 1 11 11 LEU HD13 H 1 0.825 0.002 . 1 . . . . . . . . 5306 1 105 . 1 1 11 11 LEU HD21 H 1 0.736 0.001 . 1 . . . . . . . . 5306 1 106 . 1 1 11 11 LEU HD22 H 1 0.736 0.001 . 1 . . . . . . . . 5306 1 107 . 1 1 11 11 LEU HD23 H 1 0.736 0.001 . 1 . . . . . . . . 5306 1 108 . 1 1 11 11 LEU CD1 C 13 23.003 0.000 . . . . . . . . . . 5306 1 109 . 1 1 11 11 LEU CD2 C 13 26.753 0.000 . . . . . . . . . . 5306 1 110 . 1 1 11 11 LEU C C 13 177.480 0.025 . . . . . . . . . . 5306 1 111 . 1 1 12 12 THR N N 15 112.818 0.000 . . . . . . . . . . 5306 1 112 . 1 1 12 12 THR H H 1 9.241 0.003 . . . . . . . . . . 5306 1 113 . 1 1 12 12 THR CA C 13 59.878 0.000 . . . . . . . . . . 5306 1 114 . 1 1 12 12 THR HA H 1 4.601 0.001 . . . . . . . . . . 5306 1 115 . 1 1 12 12 THR CB C 13 71.441 0.000 . . . . . . . . . . 5306 1 116 . 1 1 12 12 THR HB H 1 4.689 0.001 . . . . . . . . . . 5306 1 117 . 1 1 12 12 THR HG21 H 1 1.351 0.002 . 1 . . . . . . . . 5306 1 118 . 1 1 12 12 THR HG22 H 1 1.351 0.002 . 1 . . . . . . . . 5306 1 119 . 1 1 12 12 THR HG23 H 1 1.351 0.002 . 1 . . . . . . . . 5306 1 120 . 1 1 12 12 THR CG2 C 13 21.656 0.000 . . . . . . . . . . 5306 1 121 . 1 1 12 12 THR C C 13 176.493 0.000 . . . . . . . . . . 5306 1 122 . 1 1 13 13 SER N N 15 117.191 0.007 . . . . . . . . . . 5306 1 123 . 1 1 13 13 SER H H 1 9.129 0.007 . . . . . . . . . . 5306 1 124 . 1 1 13 13 SER CA C 13 62.331 0.000 . . . . . . . . . . 5306 1 125 . 1 1 13 13 SER HA H 1 4.747 0.000 . . . . . . . . . . 5306 1 126 . 1 1 13 13 SER C C 13 176.830 0.000 . . . . . . . . . . 5306 1 127 . 1 1 14 14 TYR N N 15 121.576 0.025 . . . . . . . . . . 5306 1 128 . 1 1 14 14 TYR H H 1 8.069 0.002 . . . . . . . . . . 5306 1 129 . 1 1 14 14 TYR CA C 13 61.128 0.000 . . . . . . . . . . 5306 1 130 . 1 1 14 14 TYR HA H 1 4.180 0.001 . . . . . . . . . . 5306 1 131 . 1 1 14 14 TYR CB C 13 38.003 0.000 . . . . . . . . . . 5306 1 132 . 1 1 14 14 TYR HB2 H 1 3.095 0.003 . . . . . . . . . . 5306 1 133 . 1 1 14 14 TYR HB3 H 1 2.790 0.002 . . . . . . . . . . 5306 1 134 . 1 1 14 14 TYR C C 13 176.723 0.003 . . . . . . . . . . 5306 1 135 . 1 1 15 15 ASP N N 15 117.630 0.000 . . . . . . . . . . 5306 1 136 . 1 1 15 15 ASP H H 1 7.944 0.003 . . . . . . . . . . 5306 1 137 . 1 1 15 15 ASP CA C 13 57.378 0.000 . . . . . . . . . . 5306 1 138 . 1 1 15 15 ASP HA H 1 4.197 0.001 . . . . . . . . . . 5306 1 139 . 1 1 15 15 ASP CB C 13 41.441 0.000 . . . . . . . . . . 5306 1 140 . 1 1 15 15 ASP HB2 H 1 3.082 0.004 . . . . . . . . . . 5306 1 141 . 1 1 15 15 ASP HB3 H 1 2.222 0.001 . . . . . . . . . . 5306 1 142 . 1 1 15 15 ASP C C 13 180.367 0.025 . . . . . . . . . . 5306 1 143 . 1 1 16 16 CYS N N 15 117.849 0.000 . . . . . . . . . . 5306 1 144 . 1 1 16 16 CYS H H 1 7.614 0.004 . . . . . . . . . . 5306 1 145 . 1 1 16 16 CYS CA C 13 63.316 0.000 . . . . . . . . . . 5306 1 146 . 1 1 16 16 CYS HA H 1 3.983 0.002 . . . . . . . . . . 5306 1 147 . 1 1 16 16 CYS CB C 13 27.066 0.000 . . . . . . . . . . 5306 1 148 . 1 1 16 16 CYS HB2 H 1 3.056 0.003 . . . . . . . . . . 5306 1 149 . 1 1 16 16 CYS HB3 H 1 2.548 0.002 . . . . . . . . . . 5306 1 150 . 1 1 16 16 CYS C C 13 174.957 0.034 . . . . . . . . . . 5306 1 151 . 1 1 17 17 GLU N N 15 122.224 0.000 . . . . . . . . . . 5306 1 152 . 1 1 17 17 GLU H H 1 8.520 0.003 . . . . . . . . . . 5306 1 153 . 1 1 17 17 GLU CA C 13 58.941 0.000 . . . . . . . . . . 5306 1 154 . 1 1 17 17 GLU HA H 1 3.848 0.002 . . . . . . . . . . 5306 1 155 . 1 1 17 17 GLU CB C 13 29.253 0.000 . . . . . . . . . . 5306 1 156 . 1 1 17 17 GLU HB2 H 1 2.062 0.001 . . . . . . . . . . 5306 1 157 . 1 1 17 17 GLU HB3 H 1 1.862 0.000 . . . . . . . . . . 5306 1 158 . 1 1 17 17 GLU CG C 13 36.441 0.000 . . . . . . . . . . 5306 1 159 . 1 1 17 17 GLU HG2 H 1 2.312 0.000 . . . . . . . . . . 5306 1 160 . 1 1 17 17 GLU HG3 H 1 2.084 0.000 . . . . . . . . . . 5306 1 161 . 1 1 17 17 GLU C C 13 178.578 0.016 . . . . . . . . . . 5306 1 162 . 1 1 18 18 VAL N N 15 113.701 0.025 . . . . . . . . . . 5306 1 163 . 1 1 18 18 VAL H H 1 7.576 0.004 . . . . . . . . . . 5306 1 164 . 1 1 18 18 VAL CA C 13 64.566 0.000 . . . . . . . . . . 5306 1 165 . 1 1 18 18 VAL HA H 1 3.636 0.001 . . . . . . . . . . 5306 1 166 . 1 1 18 18 VAL CB C 13 32.378 0.000 . . . . . . . . . . 5306 1 167 . 1 1 18 18 VAL HB H 1 1.656 0.003 . . . . . . . . . . 5306 1 168 . 1 1 18 18 VAL HG11 H 1 0.584 0.001 . 1 . . . . . . . . 5306 1 169 . 1 1 18 18 VAL HG12 H 1 0.584 0.001 . 1 . . . . . . . . 5306 1 170 . 1 1 18 18 VAL HG13 H 1 0.584 0.001 . 1 . . . . . . . . 5306 1 171 . 1 1 18 18 VAL HG21 H 1 0.527 0.001 . 1 . . . . . . . . 5306 1 172 . 1 1 18 18 VAL HG22 H 1 0.527 0.001 . 1 . . . . . . . . 5306 1 173 . 1 1 18 18 VAL HG23 H 1 0.527 0.001 . 1 . . . . . . . . 5306 1 174 . 1 1 18 18 VAL CG1 C 13 20.503 0.000 . . . . . . . . . . 5306 1 175 . 1 1 18 18 VAL CG2 C 13 21.441 0.000 . . . . . . . . . . 5306 1 176 . 1 1 18 18 VAL C C 13 177.311 0.009 . . . . . . . . . . 5306 1 177 . 1 1 19 19 ASN N N 15 113.253 0.006 . . . . . . . . . . 5306 1 178 . 1 1 19 19 ASN H H 1 7.054 0.003 . . . . . . . . . . 5306 1 179 . 1 1 19 19 ASN CA C 13 54.878 0.000 . . . . . . . . . . 5306 1 180 . 1 1 19 19 ASN HA H 1 4.521 0.001 . . . . . . . . . . 5306 1 181 . 1 1 19 19 ASN CB C 13 41.128 0.000 . . . . . . . . . . 5306 1 182 . 1 1 19 19 ASN HB2 H 1 2.471 0.001 . . . . . . . . . . 5306 1 183 . 1 1 19 19 ASN HB3 H 1 2.174 0.002 . . . . . . . . . . 5306 1 184 . 1 1 19 19 ASN ND2 N 15 115.443 0.000 . . . . . . . . . . 5306 1 185 . 1 1 19 19 ASN HD21 H 1 7.894 0.002 . . . . . . . . . . 5306 1 186 . 1 1 19 19 ASN HD22 H 1 7.671 0.004 . . . . . . . . . . 5306 1 187 . 1 1 19 19 ASN C C 13 173.421 0.017 . . . . . . . . . . 5306 1 188 . 1 1 20 20 ALA N N 15 122.880 0.000 . . . . . . . . . . 5306 1 189 . 1 1 20 20 ALA H H 1 8.120 0.002 . . . . . . . . . . 5306 1 190 . 1 1 20 20 ALA CA C 13 49.566 0.000 . . . . . . . . . . 5306 1 191 . 1 1 20 20 ALA HA H 1 4.080 0.002 . . . . . . . . . . 5306 1 192 . 1 1 20 20 ALA HB1 H 1 0.861 0.001 . 1 . . . . . . . . 5306 1 193 . 1 1 20 20 ALA HB2 H 1 0.861 0.001 . 1 . . . . . . . . 5306 1 194 . 1 1 20 20 ALA HB3 H 1 0.861 0.001 . 1 . . . . . . . . 5306 1 195 . 1 1 20 20 ALA CB C 13 17.378 0.000 . . . . . . . . . . 5306 1 196 . 1 1 20 20 ALA C C 13 171.575 0.000 . . . . . . . . . . 5306 1 197 . 1 1 21 21 PRO CD C 13 49.878 0.000 . . . . . . . . . . 5306 1 198 . 1 1 21 21 PRO CA C 13 63.316 0.000 . . . . . . . . . . 5306 1 199 . 1 1 21 21 PRO HA H 1 4.447 0.002 . . . . . . . . . . 5306 1 200 . 1 1 21 21 PRO CB C 13 32.378 0.000 . . . . . . . . . . 5306 1 201 . 1 1 21 21 PRO HB2 H 1 2.432 0.001 . . . . . . . . . . 5306 1 202 . 1 1 21 21 PRO HB3 H 1 1.872 0.002 . . . . . . . . . . 5306 1 203 . 1 1 21 21 PRO CG C 13 27.066 0.000 . . . . . . . . . . 5306 1 204 . 1 1 21 21 PRO HD2 H 1 3.323 0.002 . . . . . . . . . . 5306 1 205 . 1 1 21 21 PRO HD3 H 1 3.183 0.036 . . . . . . . . . . 5306 1 206 . 1 1 21 21 PRO C C 13 178.949 0.000 . . . . . . . . . . 5306 1 207 . 1 1 22 22 ILE N N 15 122.662 0.000 . . . . . . . . . . 5306 1 208 . 1 1 22 22 ILE H H 1 8.984 0.002 . . . . . . . . . . 5306 1 209 . 1 1 22 22 ILE CA C 13 61.128 0.000 . . . . . . . . . . 5306 1 210 . 1 1 22 22 ILE HA H 1 4.226 0.001 . . . . . . . . . . 5306 1 211 . 1 1 22 22 ILE CB C 13 39.253 0.000 . . . . . . . . . . 5306 1 212 . 1 1 22 22 ILE HB H 1 1.730 0.001 . . . . . . . . . . 5306 1 213 . 1 1 22 22 ILE HG21 H 1 0.818 0.001 . 1 . . . . . . . . 5306 1 214 . 1 1 22 22 ILE HG22 H 1 0.818 0.001 . 1 . . . . . . . . 5306 1 215 . 1 1 22 22 ILE HG23 H 1 0.818 0.001 . 1 . . . . . . . . 5306 1 216 . 1 1 22 22 ILE CG2 C 13 18.316 0.000 . . . . . . . . . . 5306 1 217 . 1 1 22 22 ILE CG1 C 13 27.378 0.000 . . . . . . . . . . 5306 1 218 . 1 1 22 22 ILE HD11 H 1 0.841 0.008 . 1 . . . . . . . . 5306 1 219 . 1 1 22 22 ILE HD12 H 1 0.841 0.008 . 1 . . . . . . . . 5306 1 220 . 1 1 22 22 ILE HD13 H 1 0.841 0.008 . 1 . . . . . . . . 5306 1 221 . 1 1 22 22 ILE CD1 C 13 14.566 0.000 . . . . . . . . . . 5306 1 222 . 1 1 22 22 ILE C C 13 175.745 0.012 . . . . . . . . . . 5306 1 223 . 1 1 23 23 GLN N N 15 127.037 0.000 . . . . . . . . . . 5306 1 224 . 1 1 23 23 GLN H H 1 8.583 0.002 . . . . . . . . . . 5306 1 225 . 1 1 23 23 GLN CA C 13 56.128 0.000 . . . . . . . . . . 5306 1 226 . 1 1 23 23 GLN HA H 1 4.284 0.001 . . . . . . . . . . 5306 1 227 . 1 1 23 23 GLN CB C 13 29.253 0.000 . . . . . . . . . . 5306 1 228 . 1 1 23 23 GLN HB2 H 1 2.349 0.009 . . . . . . . . . . 5306 1 229 . 1 1 23 23 GLN HB3 H 1 2.035 0.001 . . . . . . . . . . 5306 1 230 . 1 1 23 23 GLN CG C 13 33.941 0.000 . . . . . . . . . . 5306 1 231 . 1 1 23 23 GLN HG2 H 1 2.362 0.001 . . . . . . . . . . 5306 1 232 . 1 1 23 23 GLN HG3 H 1 2.310 0.001 . . . . . . . . . . 5306 1 233 . 1 1 23 23 GLN NE2 N 15 113.255 0.000 . . . . . . . . . . 5306 1 234 . 1 1 23 23 GLN HE21 H 1 7.520 0.003 . . . . . . . . . . 5306 1 235 . 1 1 23 23 GLN HE22 H 1 7.108 0.004 . . . . . . . . . . 5306 1 236 . 1 1 23 23 GLN C C 13 176.176 0.013 . . . . . . . . . . 5306 1 237 . 1 1 24 24 GLY N N 15 110.412 0.000 . . . . . . . . . . 5306 1 238 . 1 1 24 24 GLY H H 1 8.488 0.003 . . . . . . . . . . 5306 1 239 . 1 1 24 24 GLY CA C 13 45.503 0.000 . . . . . . . . . . 5306 1 240 . 1 1 24 24 GLY HA2 H 1 4.059 0.002 . . . . . . . . . . 5306 1 241 . 1 1 24 24 GLY HA3 H 1 3.789 0.001 . . . . . . . . . . 5306 1 242 . 1 1 24 24 GLY C C 13 174.366 0.000 . . . . . . . . . . 5306 1 243 . 1 1 25 25 SER N N 15 115.880 0.000 . . . . . . . . . . 5306 1 244 . 1 1 25 25 SER H H 1 8.340 0.009 . . . . . . . . . . 5306 1 245 . 1 1 25 25 SER CA C 13 58.316 0.000 . . . . . . . . . . 5306 1 246 . 1 1 25 25 SER HA H 1 4.243 0.001 . . . . . . . . . . 5306 1 247 . 1 1 25 25 SER CB C 13 62.378 0.000 . . . . . . . . . . 5306 1 248 . 1 1 25 25 SER HB2 H 1 3.915 0.000 . . . . . . . . . . 5306 1 249 . 1 1 25 25 SER HB3 H 1 3.869 0.000 . . . . . . . . . . 5306 1 250 . 1 1 25 25 SER C C 13 174.874 0.000 . . . . . . . . . . 5306 1 251 . 1 1 26 26 ARG N N 15 119.599 0.000 . . . . . . . . . . 5306 1 252 . 1 1 26 26 ARG H H 1 7.823 0.004 . . . . . . . . . . 5306 1 253 . 1 1 26 26 ARG CA C 13 56.128 0.000 . . . . . . . . . . 5306 1 254 . 1 1 26 26 ARG HA H 1 4.156 0.001 . . . . . . . . . . 5306 1 255 . 1 1 26 26 ARG CB C 13 29.878 0.000 . . . . . . . . . . 5306 1 256 . 1 1 26 26 ARG HB2 H 1 1.903 0.001 . . . . . . . . . . 5306 1 257 . 1 1 26 26 ARG HB3 H 1 1.720 0.002 . . . . . . . . . . 5306 1 258 . 1 1 26 26 ARG CG C 13 27.066 0.000 . . . . . . . . . . 5306 1 259 . 1 1 26 26 ARG HG2 H 1 1.729 0.000 . . . . . . . . . . 5306 1 260 . 1 1 26 26 ARG CD C 13 43.003 0.000 . . . . . . . . . . 5306 1 261 . 1 1 26 26 ARG C C 13 175.340 0.038 . . . . . . . . . . 5306 1 262 . 1 1 27 27 ASN N N 15 117.202 0.026 . . . . . . . . . . 5306 1 263 . 1 1 27 27 ASN H H 1 8.045 0.003 . . . . . . . . . . 5306 1 264 . 1 1 27 27 ASN CA C 13 52.691 0.000 . . . . . . . . . . 5306 1 265 . 1 1 27 27 ASN HA H 1 4.660 0.002 . . . . . . . . . . 5306 1 266 . 1 1 27 27 ASN CB C 13 39.253 0.000 . . . . . . . . . . 5306 1 267 . 1 1 27 27 ASN HB2 H 1 2.780 0.002 . . . . . . . . . . 5306 1 268 . 1 1 27 27 ASN HB3 H 1 2.602 0.001 . . . . . . . . . . 5306 1 269 . 1 1 27 27 ASN ND2 N 15 112.818 0.000 . . . . . . . . . . 5306 1 270 . 1 1 27 27 ASN HD21 H 1 7.557 0.002 . . . . . . . . . . 5306 1 271 . 1 1 27 27 ASN HD22 H 1 6.943 0.005 . . . . . . . . . . 5306 1 272 . 1 1 27 27 ASN C C 13 174.581 0.013 . . . . . . . . . . 5306 1 273 . 1 1 28 28 LEU N N 15 120.693 0.000 . . . . . . . . . . 5306 1 274 . 1 1 28 28 LEU H H 1 8.068 0.004 . . . . . . . . . . 5306 1 275 . 1 1 28 28 LEU CA C 13 54.253 0.000 . . . . . . . . . . 5306 1 276 . 1 1 28 28 LEU HA H 1 4.190 0.001 . . . . . . . . . . 5306 1 277 . 1 1 28 28 LEU CB C 13 42.066 0.000 . . . . . . . . . . 5306 1 278 . 1 1 28 28 LEU HB2 H 1 1.584 0.002 . . . . . . . . . . 5306 1 279 . 1 1 28 28 LEU HB3 H 1 1.290 0.004 . . . . . . . . . . 5306 1 280 . 1 1 28 28 LEU CG C 13 27.066 0.000 . . . . . . . . . . 5306 1 281 . 1 1 28 28 LEU HG H 1 1.630 0.002 . . . . . . . . . . 5306 1 282 . 1 1 28 28 LEU HD11 H 1 0.894 0.001 . 1 . . . . . . . . 5306 1 283 . 1 1 28 28 LEU HD12 H 1 0.894 0.001 . 1 . . . . . . . . 5306 1 284 . 1 1 28 28 LEU HD13 H 1 0.894 0.001 . 1 . . . . . . . . 5306 1 285 . 1 1 28 28 LEU HD21 H 1 0.846 0.001 . 1 . . . . . . . . 5306 1 286 . 1 1 28 28 LEU HD22 H 1 0.846 0.001 . 1 . . . . . . . . 5306 1 287 . 1 1 28 28 LEU HD23 H 1 0.846 0.001 . 1 . . . . . . . . 5306 1 288 . 1 1 28 28 LEU CD1 C 13 24.878 0.000 . . . . . . . . . . 5306 1 289 . 1 1 28 28 LEU CD2 C 13 23.941 0.000 . . . . . . . . . . 5306 1 290 . 1 1 28 28 LEU C C 13 177.265 0.013 . . . . . . . . . . 5306 1 291 . 1 1 29 29 LEU N N 15 123.764 0.026 . . . . . . . . . . 5306 1 292 . 1 1 29 29 LEU H H 1 7.940 0.001 . . . . . . . . . . 5306 1 293 . 1 1 29 29 LEU CA C 13 54.878 0.000 . . . . . . . . . . 5306 1 294 . 1 1 29 29 LEU HA H 1 4.225 0.003 . . . . . . . . . . 5306 1 295 . 1 1 29 29 LEU CB C 13 43.003 0.000 . . . . . . . . . . 5306 1 296 . 1 1 29 29 LEU HB2 H 1 1.574 0.004 . . . . . . . . . . 5306 1 297 . 1 1 29 29 LEU HB3 H 1 1.020 0.016 . . . . . . . . . . 5306 1 298 . 1 1 29 29 LEU CG C 13 26.753 0.000 . . . . . . . . . . 5306 1 299 . 1 1 29 29 LEU HG H 1 1.843 0.003 . . . . . . . . . . 5306 1 300 . 1 1 29 29 LEU HD11 H 1 0.824 0.001 . 1 . . . . . . . . 5306 1 301 . 1 1 29 29 LEU HD12 H 1 0.824 0.001 . 1 . . . . . . . . 5306 1 302 . 1 1 29 29 LEU HD13 H 1 0.824 0.001 . 1 . . . . . . . . 5306 1 303 . 1 1 29 29 LEU HD21 H 1 0.826 0.000 . 1 . . . . . . . . 5306 1 304 . 1 1 29 29 LEU HD22 H 1 0.826 0.000 . 1 . . . . . . . . 5306 1 305 . 1 1 29 29 LEU HD23 H 1 0.826 0.000 . 1 . . . . . . . . 5306 1 306 . 1 1 29 29 LEU CD1 C 13 26.441 0.000 . . . . . . . . . . 5306 1 307 . 1 1 29 29 LEU CD2 C 13 22.691 0.000 . . . . . . . . . . 5306 1 308 . 1 1 29 29 LEU C C 13 175.626 0.020 . . . . . . . . . . 5306 1 309 . 1 1 30 30 GLN N N 15 116.104 0.021 . . . . . . . . . . 5306 1 310 . 1 1 30 30 GLN H H 1 8.523 0.006 . . . . . . . . . . 5306 1 311 . 1 1 30 30 GLN CA C 13 53.628 0.000 . . . . . . . . . . 5306 1 312 . 1 1 30 30 GLN HA H 1 4.321 0.001 . . . . . . . . . . 5306 1 313 . 1 1 30 30 GLN CB C 13 32.378 0.000 . . . . . . . . . . 5306 1 314 . 1 1 30 30 GLN HB2 H 1 2.089 0.001 . . . . . . . . . . 5306 1 315 . 1 1 30 30 GLN HB3 H 1 1.881 0.002 . . . . . . . . . . 5306 1 316 . 1 1 30 30 GLN CG C 13 32.691 0.000 . . . . . . . . . . 5306 1 317 . 1 1 30 30 GLN HG2 H 1 2.569 0.000 . . . . . . . . . . 5306 1 318 . 1 1 30 30 GLN HG3 H 1 2.335 0.000 . . . . . . . . . . 5306 1 319 . 1 1 30 30 GLN NE2 N 15 111.505 0.000 . . . . . . . . . . 5306 1 320 . 1 1 30 30 GLN HE21 H 1 7.347 0.002 . . . . . . . . . . 5306 1 321 . 1 1 30 30 GLN HE22 H 1 6.743 0.003 . . . . . . . . . . 5306 1 322 . 1 1 30 30 GLN C C 13 175.921 0.000 . . . . . . . . . . 5306 1 323 . 1 1 31 31 GLY N N 15 109.764 0.026 . . . . . . . . . . 5306 1 324 . 1 1 31 31 GLY H H 1 8.926 0.002 . . . . . . . . . . 5306 1 325 . 1 1 31 31 GLY CA C 13 46.441 0.000 . . . . . . . . . . 5306 1 326 . 1 1 31 31 GLY HA2 H 1 4.101 0.001 . . . . . . . . . . 5306 1 327 . 1 1 31 31 GLY HA3 H 1 3.923 0.001 . . . . . . . . . . 5306 1 328 . 1 1 31 31 GLY C C 13 175.466 0.001 . . . . . . . . . . 5306 1 329 . 1 1 32 32 GLU N N 15 124.191 0.007 . . . . . . . . . . 5306 1 330 . 1 1 32 32 GLU H H 1 9.041 0.006 . . . . . . . . . . 5306 1 331 . 1 1 32 32 GLU CA C 13 58.941 0.000 . . . . . . . . . . 5306 1 332 . 1 1 32 32 GLU HA H 1 3.923 0.001 . . . . . . . . . . 5306 1 333 . 1 1 32 32 GLU CB C 13 28.941 0.000 . . . . . . . . . . 5306 1 334 . 1 1 32 32 GLU CG C 13 36.441 0.000 . . . . . . . . . . 5306 1 335 . 1 1 32 32 GLU C C 13 178.092 0.005 . . . . . . . . . . 5306 1 336 . 1 1 33 33 GLU N N 15 117.412 0.001 . . . . . . . . . . 5306 1 337 . 1 1 33 33 GLU H H 1 8.067 0.004 . . . . . . . . . . 5306 1 338 . 1 1 33 33 GLU CA C 13 58.941 0.000 . . . . . . . . . . 5306 1 339 . 1 1 33 33 GLU HA H 1 3.965 0.002 . . . . . . . . . . 5306 1 340 . 1 1 33 33 GLU CB C 13 29.878 0.000 . . . . . . . . . . 5306 1 341 . 1 1 33 33 GLU CG C 13 36.441 0.000 . . . . . . . . . . 5306 1 342 . 1 1 33 33 GLU HG2 H 1 2.505 0.002 . . . . . . . . . . 5306 1 343 . 1 1 33 33 GLU HG3 H 1 2.350 0.000 . . . . . . . . . . 5306 1 344 . 1 1 33 33 GLU C C 13 179.832 0.028 . . . . . . . . . . 5306 1 345 . 1 1 34 34 LEU N N 15 118.730 0.023 . . . . . . . . . . 5306 1 346 . 1 1 34 34 LEU H H 1 7.335 0.003 . . . . . . . . . . 5306 1 347 . 1 1 34 34 LEU CA C 13 57.691 0.000 . . . . . . . . . . 5306 1 348 . 1 1 34 34 LEU HA H 1 3.764 0.001 . . . . . . . . . . 5306 1 349 . 1 1 34 34 LEU CB C 13 42.066 0.000 . . . . . . . . . . 5306 1 350 . 1 1 34 34 LEU HB2 H 1 1.668 0.002 . . . . . . . . . . 5306 1 351 . 1 1 34 34 LEU HB3 H 1 1.365 0.001 . . . . . . . . . . 5306 1 352 . 1 1 34 34 LEU CG C 13 27.378 0.000 . . . . . . . . . . 5306 1 353 . 1 1 34 34 LEU HG H 1 1.270 0.001 . . . . . . . . . . 5306 1 354 . 1 1 34 34 LEU HD11 H 1 0.904 0.001 . 1 . . . . . . . . 5306 1 355 . 1 1 34 34 LEU HD12 H 1 0.904 0.001 . 1 . . . . . . . . 5306 1 356 . 1 1 34 34 LEU HD13 H 1 0.904 0.001 . 1 . . . . . . . . 5306 1 357 . 1 1 34 34 LEU HD21 H 1 0.834 0.003 . 1 . . . . . . . . 5306 1 358 . 1 1 34 34 LEU HD22 H 1 0.834 0.003 . 1 . . . . . . . . 5306 1 359 . 1 1 34 34 LEU HD23 H 1 0.834 0.003 . 1 . . . . . . . . 5306 1 360 . 1 1 34 34 LEU CD1 C 13 25.566 0.125 . . . . . . . . . . 5306 1 361 . 1 1 34 34 LEU CD2 C 13 25.816 0.000 . . . . . . . . . . 5306 1 362 . 1 1 34 34 LEU C C 13 176.505 0.013 . . . . . . . . . . 5306 1 363 . 1 1 35 35 LEU N N 15 115.005 0.000 . . . . . . . . . . 5306 1 364 . 1 1 35 35 LEU H H 1 6.670 0.004 . . . . . . . . . . 5306 1 365 . 1 1 35 35 LEU CA C 13 56.753 0.000 . . . . . . . . . . 5306 1 366 . 1 1 35 35 LEU HA H 1 3.662 0.002 . . . . . . . . . . 5306 1 367 . 1 1 35 35 LEU CB C 13 40.503 0.000 . . . . . . . . . . 5306 1 368 . 1 1 35 35 LEU HB2 H 1 1.931 0.003 . . . . . . . . . . 5306 1 369 . 1 1 35 35 LEU HB3 H 1 1.415 0.002 . . . . . . . . . . 5306 1 370 . 1 1 35 35 LEU CG C 13 27.066 0.000 . . . . . . . . . . 5306 1 371 . 1 1 35 35 LEU HG H 1 1.576 0.001 . . . . . . . . . . 5306 1 372 . 1 1 35 35 LEU HD11 H 1 1.001 0.002 . 1 . . . . . . . . 5306 1 373 . 1 1 35 35 LEU HD12 H 1 1.001 0.002 . 1 . . . . . . . . 5306 1 374 . 1 1 35 35 LEU HD13 H 1 1.001 0.002 . 1 . . . . . . . . 5306 1 375 . 1 1 35 35 LEU HD21 H 1 0.749 0.001 . 1 . . . . . . . . 5306 1 376 . 1 1 35 35 LEU HD22 H 1 0.749 0.001 . 1 . . . . . . . . 5306 1 377 . 1 1 35 35 LEU HD23 H 1 0.749 0.001 . 1 . . . . . . . . 5306 1 378 . 1 1 35 35 LEU CD1 C 13 25.191 0.000 . . . . . . . . . . 5306 1 379 . 1 1 35 35 LEU CD2 C 13 22.066 0.000 . . . . . . . . . . 5306 1 380 . 1 1 35 35 LEU C C 13 178.936 0.013 . . . . . . . . . . 5306 1 381 . 1 1 36 36 ARG N N 15 116.543 0.022 . . . . . . . . . . 5306 1 382 . 1 1 36 36 ARG H H 1 7.909 0.002 . . . . . . . . . . 5306 1 383 . 1 1 36 36 ARG CA C 13 58.628 0.000 . . . . . . . . . . 5306 1 384 . 1 1 36 36 ARG HA H 1 4.141 0.000 . . . . . . . . . . 5306 1 385 . 1 1 36 36 ARG CB C 13 30.191 0.000 . . . . . . . . . . 5306 1 386 . 1 1 36 36 ARG HB2 H 1 1.871 0.000 . . . . . . . . . . 5306 1 387 . 1 1 36 36 ARG CG C 13 27.378 0.000 . . . . . . . . . . 5306 1 388 . 1 1 36 36 ARG HG2 H 1 1.812 0.002 . . . . . . . . . . 5306 1 389 . 1 1 36 36 ARG HG3 H 1 1.773 0.001 . . . . . . . . . . 5306 1 390 . 1 1 36 36 ARG CD C 13 43.316 0.000 . . . . . . . . . . 5306 1 391 . 1 1 36 36 ARG C C 13 179.359 0.020 . . . . . . . . . . 5306 1 392 . 1 1 37 37 ALA N N 15 119.378 0.006 . . . . . . . . . . 5306 1 393 . 1 1 37 37 ALA H H 1 7.453 0.003 . . . . . . . . . . 5306 1 394 . 1 1 37 37 ALA CA C 13 54.253 0.000 . . . . . . . . . . 5306 1 395 . 1 1 37 37 ALA HA H 1 4.117 0.001 . . . . . . . . . . 5306 1 396 . 1 1 37 37 ALA HB1 H 1 1.464 0.001 . 1 . . . . . . . . 5306 1 397 . 1 1 37 37 ALA HB2 H 1 1.464 0.001 . 1 . . . . . . . . 5306 1 398 . 1 1 37 37 ALA HB3 H 1 1.464 0.001 . 1 . . . . . . . . 5306 1 399 . 1 1 37 37 ALA CB C 13 18.941 0.000 . . . . . . . . . . 5306 1 400 . 1 1 37 37 ALA C C 13 179.039 0.011 . . . . . . . . . . 5306 1 401 . 1 1 38 38 LEU N N 15 115.443 0.000 . . . . . . . . . . 5306 1 402 . 1 1 38 38 LEU H H 1 7.176 0.003 . . . . . . . . . . 5306 1 403 . 1 1 38 38 LEU CA C 13 55.503 0.000 . . . . . . . . . . 5306 1 404 . 1 1 38 38 LEU HA H 1 4.203 0.001 . . . . . . . . . . 5306 1 405 . 1 1 38 38 LEU CB C 13 41.128 0.000 . . . . . . . . . . 5306 1 406 . 1 1 38 38 LEU HB3 H 1 1.363 0.000 . . . . . . . . . . 5306 1 407 . 1 1 38 38 LEU CG C 13 26.066 0.306 . . . . . . . . . . 5306 1 408 . 1 1 38 38 LEU HG H 1 1.776 0.001 . . . . . . . . . . 5306 1 409 . 1 1 38 38 LEU HD11 H 1 0.606 0.002 . 1 . . . . . . . . 5306 1 410 . 1 1 38 38 LEU HD12 H 1 0.606 0.002 . 1 . . . . . . . . 5306 1 411 . 1 1 38 38 LEU HD13 H 1 0.606 0.002 . 1 . . . . . . . . 5306 1 412 . 1 1 38 38 LEU HD21 H 1 0.509 0.001 . 1 . . . . . . . . 5306 1 413 . 1 1 38 38 LEU HD22 H 1 0.509 0.001 . 1 . . . . . . . . 5306 1 414 . 1 1 38 38 LEU HD23 H 1 0.509 0.001 . 1 . . . . . . . . 5306 1 415 . 1 1 38 38 LEU CD1 C 13 26.441 0.000 . . . . . . . . . . 5306 1 416 . 1 1 38 38 LEU CD2 C 13 22.378 0.000 . . . . . . . . . . 5306 1 417 . 1 1 38 38 LEU C C 13 177.062 0.012 . . . . . . . . . . 5306 1 418 . 1 1 39 39 ASP N N 15 118.505 0.000 . . . . . . . . . . 5306 1 419 . 1 1 39 39 ASP H H 1 7.593 0.005 . . . . . . . . . . 5306 1 420 . 1 1 39 39 ASP CA C 13 55.191 0.000 . . . . . . . . . . 5306 1 421 . 1 1 39 39 ASP HA H 1 4.764 0.000 . . . . . . . . . . 5306 1 422 . 1 1 39 39 ASP CB C 13 41.128 0.000 . . . . . . . . . . 5306 1 423 . 1 1 39 39 ASP HB2 H 1 2.846 0.000 . . . . . . . . . . 5306 1 424 . 1 1 39 39 ASP HB3 H 1 2.810 0.006 . . . . . . . . . . 5306 1 425 . 1 1 39 39 ASP C C 13 176.607 0.013 . . . . . . . . . . 5306 1 426 . 1 1 40 40 GLN N N 15 119.599 0.000 . . . . . . . . . . 5306 1 427 . 1 1 40 40 GLN H H 1 7.913 0.002 . . . . . . . . . . 5306 1 428 . 1 1 40 40 GLN CA C 13 56.128 0.000 . . . . . . . . . . 5306 1 429 . 1 1 40 40 GLN HA H 1 4.411 0.000 . . . . . . . . . . 5306 1 430 . 1 1 40 40 GLN CB C 13 29.566 0.000 . . . . . . . . . . 5306 1 431 . 1 1 40 40 GLN HB2 H 1 2.227 0.001 . . . . . . . . . . 5306 1 432 . 1 1 40 40 GLN HB3 H 1 2.143 0.001 . . . . . . . . . . 5306 1 433 . 1 1 40 40 GLN CG C 13 34.253 0.000 . . . . . . . . . . 5306 1 434 . 1 1 40 40 GLN HG2 H 1 2.434 0.001 . . . . . . . . . . 5306 1 435 . 1 1 40 40 GLN HG3 H 1 2.401 0.001 . . . . . . . . . . 5306 1 436 . 1 1 40 40 GLN C C 13 175.612 0.000 . . . . . . . . . . 5306 1 437 . 1 1 41 41 VAL N N 15 120.474 0.000 . . . . . . . . . . 5306 1 438 . 1 1 41 41 VAL H H 1 8.129 0.004 . . . . . . . . . . 5306 1 439 . 1 1 41 41 VAL CA C 13 62.066 0.000 . . . . . . . . . . 5306 1 440 . 1 1 41 41 VAL HA H 1 4.239 0.001 . . . . . . . . . . 5306 1 441 . 1 1 41 41 VAL CB C 13 32.691 0.000 . . . . . . . . . . 5306 1 442 . 1 1 41 41 VAL HB H 1 2.184 0.001 . . . . . . . . . . 5306 1 443 . 1 1 41 41 VAL CG1 C 13 21.128 0.000 . . . . . . . . . . 5306 1 444 . 1 1 41 41 VAL CG2 C 13 20.191 0.000 . . . . . . . . . . 5306 1 445 . 1 1 41 41 VAL HG11 H 1 0.982 0.001 . 1 . . . . . . . . 5306 1 446 . 1 1 41 41 VAL HG12 H 1 0.982 0.001 . 1 . . . . . . . . 5306 1 447 . 1 1 41 41 VAL HG13 H 1 0.982 0.001 . 1 . . . . . . . . 5306 1 448 . 1 1 41 41 VAL HG21 H 1 0.982 0.001 . 1 . . . . . . . . 5306 1 449 . 1 1 41 41 VAL HG22 H 1 0.982 0.001 . 1 . . . . . . . . 5306 1 450 . 1 1 41 41 VAL HG23 H 1 0.982 0.001 . 1 . . . . . . . . 5306 1 451 . 1 1 41 41 VAL C C 13 174.991 0.000 . . . . . . . . . . 5306 1 452 . 1 1 42 42 ASN N N 15 127.474 0.000 . . . . . . . . . . 5306 1 453 . 1 1 42 42 ASN H H 1 8.024 0.001 . . . . . . . . . . 5306 1 454 . 1 1 42 42 ASN CA C 13 54.566 0.000 . . . . . . . . . . 5306 1 455 . 1 1 42 42 ASN HA H 1 4.473 0.001 . . . . . . . . . . 5306 1 456 . 1 1 42 42 ASN CB C 13 40.191 0.000 . . . . . . . . . . 5306 1 457 . 1 1 42 42 ASN HB2 H 1 2.766 0.002 . . . . . . . . . . 5306 1 458 . 1 1 42 42 ASN HB3 H 1 2.645 0.004 . . . . . . . . . . 5306 1 459 . 1 1 42 42 ASN ND2 N 15 112.599 0.000 . . . . . . . . . . 5306 1 460 . 1 1 42 42 ASN HD21 H 1 7.392 0.002 . . . . . . . . . . 5306 1 461 . 1 1 42 42 ASN HD22 H 1 6.744 0.008 . . . . . . . . . . 5306 1 462 . 1 1 42 42 ASN C C 13 179.494 0.000 . . . . . . . . . . 5306 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5306 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5306 2 . . 2 $sample_2 . 5306 2 . . 3 $sample_3 . 5306 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 3 3 SER CA C 13 58.003 0.000 . . . . . . . . . . 5306 2 2 . 2 2 3 3 SER HA H 1 4.491 0.002 . . . . . . . . . . 5306 2 3 . 2 2 3 3 SER CB C 13 63.316 0.000 . . . . . . . . . . 5306 2 4 . 2 2 3 3 SER C C 13 175.184 0.000 . . . . . . . . . . 5306 2 5 . 2 2 4 4 GLY N N 15 110.851 0.003 . . . . . . . . . . 5306 2 6 . 2 2 4 4 GLY H H 1 8.456 0.003 . . . . . . . . . . 5306 2 7 . 2 2 4 4 GLY CA C 13 44.878 0.000 . . . . . . . . . . 5306 2 8 . 2 2 4 4 GLY C C 13 173.822 0.012 . . . . . . . . . . 5306 2 9 . 2 2 5 5 ALA N N 15 123.317 0.002 . . . . . . . . . . 5306 2 10 . 2 2 5 5 ALA H H 1 8.094 0.003 . . . . . . . . . . 5306 2 11 . 2 2 5 5 ALA CA C 13 52.066 0.000 . . . . . . . . . . 5306 2 12 . 2 2 5 5 ALA HA H 1 4.267 0.000 . . . . . . . . . . 5306 2 13 . 2 2 5 5 ALA HB1 H 1 1.312 0.001 . 1 . . . . . . . . 5306 2 14 . 2 2 5 5 ALA HB2 H 1 1.312 0.001 . 1 . . . . . . . . 5306 2 15 . 2 2 5 5 ALA HB3 H 1 1.312 0.001 . 1 . . . . . . . . 5306 2 16 . 2 2 5 5 ALA CB C 13 18.941 0.000 . . . . . . . . . . 5306 2 17 . 2 2 5 5 ALA C C 13 177.544 0.039 . . . . . . . . . . 5306 2 18 . 2 2 6 6 HIS N N 15 118.305 0.025 . . . . . . . . . . 5306 2 19 . 2 2 6 6 HIS H H 1 8.365 0.001 . . . . . . . . . . 5306 2 20 . 2 2 6 6 HIS CA C 13 55.191 0.000 . . . . . . . . . . 5306 2 21 . 2 2 6 6 HIS HA H 1 4.774 0.001 . . . . . . . . . . 5306 2 22 . 2 2 6 6 HIS CB C 13 29.566 0.000 . . . . . . . . . . 5306 2 23 . 2 2 6 6 HIS HB2 H 1 3.270 0.000 . . . . . . . . . . 5306 2 24 . 2 2 6 6 HIS HB3 H 1 3.154 0.004 . . . . . . . . . . 5306 2 25 . 2 2 6 6 HIS C C 13 174.876 0.030 . . . . . . . . . . 5306 2 26 . 2 2 7 7 THR N N 15 115.468 0.044 . . . . . . . . . . 5306 2 27 . 2 2 7 7 THR H H 1 8.039 0.014 . . . . . . . . . . 5306 2 28 . 2 2 7 7 THR CA C 13 61.441 0.000 . . . . . . . . . . 5306 2 29 . 2 2 7 7 THR HA H 1 4.322 0.001 . . . . . . . . . . 5306 2 30 . 2 2 7 7 THR CB C 13 69.566 0.000 . . . . . . . . . . 5306 2 31 . 2 2 7 7 THR HB H 1 4.147 0.000 . . . . . . . . . . 5306 2 32 . 2 2 7 7 THR HG21 H 1 1.205 0.000 . 1 . . . . . . . . 5306 2 33 . 2 2 7 7 THR HG22 H 1 1.205 0.000 . 1 . . . . . . . . 5306 2 34 . 2 2 7 7 THR HG23 H 1 1.205 0.000 . 1 . . . . . . . . 5306 2 35 . 2 2 7 7 THR CG2 C 13 21.441 0.000 . . . . . . . . . . 5306 2 36 . 2 2 7 7 THR C C 13 173.657 0.025 . . . . . . . . . . 5306 2 37 . 2 2 8 8 ALA N N 15 126.612 0.031 . . . . . . . . . . 5306 2 38 . 2 2 8 8 ALA H H 1 8.375 0.006 . . . . . . . . . . 5306 2 39 . 2 2 8 8 ALA CA C 13 52.378 0.000 . . . . . . . . . . 5306 2 40 . 2 2 8 8 ALA HA H 1 4.167 0.001 . . . . . . . . . . 5306 2 41 . 2 2 8 8 ALA HB1 H 1 1.350 0.002 . 1 . . . . . . . . 5306 2 42 . 2 2 8 8 ALA HB2 H 1 1.350 0.002 . 1 . . . . . . . . 5306 2 43 . 2 2 8 8 ALA HB3 H 1 1.350 0.002 . 1 . . . . . . . . 5306 2 44 . 2 2 8 8 ALA CB C 13 18.941 0.000 . . . . . . . . . . 5306 2 45 . 2 2 8 8 ALA C C 13 176.854 0.000 . . . . . . . . . . 5306 2 46 . 2 2 9 9 ASP N N 15 121.578 0.028 . . . . . . . . . . 5306 2 47 . 2 2 9 9 ASP H H 1 8.666 0.002 . . . . . . . . . . 5306 2 48 . 2 2 9 9 ASP CA C 13 51.128 0.000 . . . . . . . . . . 5306 2 49 . 2 2 9 9 ASP HA H 1 5.057 0.001 . . . . . . . . . . 5306 2 50 . 2 2 9 9 ASP CB C 13 42.691 0.000 . . . . . . . . . . 5306 2 51 . 2 2 9 9 ASP HB2 H 1 2.770 0.001 . . . . . . . . . . 5306 2 52 . 2 2 9 9 ASP HB3 H 1 2.675 0.006 . . . . . . . . . . 5306 2 53 . 2 2 9 9 ASP C C 13 174.680 0.000 . . . . . . . . . . 5306 2 54 . 2 2 10 10 PRO CD C 13 51.128 0.000 . . . . . . . . . . 5306 2 55 . 2 2 10 10 PRO CA C 13 64.878 0.000 . . . . . . . . . . 5306 2 56 . 2 2 10 10 PRO HA H 1 4.205 0.000 . . . . . . . . . . 5306 2 57 . 2 2 10 10 PRO CB C 13 32.378 0.000 . . . . . . . . . . 5306 2 58 . 2 2 10 10 PRO HB2 H 1 2.399 0.006 . . . . . . . . . . 5306 2 59 . 2 2 10 10 PRO HB3 H 1 2.036 0.000 . . . . . . . . . . 5306 2 60 . 2 2 10 10 PRO CG C 13 27.378 0.000 . . . . . . . . . . 5306 2 61 . 2 2 10 10 PRO HG2 H 1 2.154 0.002 . . . . . . . . . . 5306 2 62 . 2 2 10 10 PRO HG3 H 1 2.038 0.001 . . . . . . . . . . 5306 2 63 . 2 2 10 10 PRO HD2 H 1 3.941 0.004 . . . . . . . . . . 5306 2 64 . 2 2 10 10 PRO HD3 H 1 3.875 0.004 . . . . . . . . . . 5306 2 65 . 2 2 10 10 PRO C C 13 178.898 0.000 . . . . . . . . . . 5306 2 66 . 2 2 11 11 GLU N N 15 118.501 0.008 . . . . . . . . . . 5306 2 67 . 2 2 11 11 GLU H H 1 8.297 0.003 . . . . . . . . . . 5306 2 68 . 2 2 11 11 GLU CA C 13 58.628 0.000 . . . . . . . . . . 5306 2 69 . 2 2 11 11 GLU HA H 1 4.145 0.002 . . . . . . . . . . 5306 2 70 . 2 2 11 11 GLU CB C 13 28.941 0.000 . . . . . . . . . . 5306 2 71 . 2 2 11 11 GLU HB2 H 1 2.122 0.001 . . . . . . . . . . 5306 2 72 . 2 2 11 11 GLU HB3 H 1 2.087 0.001 . . . . . . . . . . 5306 2 73 . 2 2 11 11 GLU CG C 13 35.816 0.000 . . . . . . . . . . 5306 2 74 . 2 2 11 11 GLU HG2 H 1 2.351 0.000 . . . . . . . . . . 5306 2 75 . 2 2 11 11 GLU HG3 H 1 2.236 0.000 . . . . . . . . . . 5306 2 76 . 2 2 11 11 GLU C C 13 179.417 0.013 . . . . . . . . . . 5306 2 77 . 2 2 12 12 LYS N N 15 118.946 0.011 . . . . . . . . . . 5306 2 78 . 2 2 12 12 LYS H H 1 7.791 0.003 . . . . . . . . . . 5306 2 79 . 2 2 12 12 LYS CA C 13 58.003 0.000 . . . . . . . . . . 5306 2 80 . 2 2 12 12 LYS HA H 1 3.985 0.004 . . . . . . . . . . 5306 2 81 . 2 2 12 12 LYS CB C 13 31.753 0.000 . . . . . . . . . . 5306 2 82 . 2 2 12 12 LYS CG C 13 25.191 0.000 . . . . . . . . . . 5306 2 83 . 2 2 12 12 LYS CD C 13 28.316 0.000 . . . . . . . . . . 5306 2 84 . 2 2 12 12 LYS CE C 13 41.753 0.000 . . . . . . . . . . 5306 2 85 . 2 2 12 12 LYS C C 13 178.860 0.013 . . . . . . . . . . 5306 2 86 . 2 2 13 13 ARG N N 15 117.856 0.024 . . . . . . . . . . 5306 2 87 . 2 2 13 13 ARG H H 1 8.123 0.005 . . . . . . . . . . 5306 2 88 . 2 2 13 13 ARG CA C 13 60.503 0.000 . . . . . . . . . . 5306 2 89 . 2 2 13 13 ARG HA H 1 3.655 0.000 . . . . . . . . . . 5306 2 90 . 2 2 13 13 ARG CB C 13 29.878 0.000 . . . . . . . . . . 5306 2 91 . 2 2 13 13 ARG HB2 H 1 1.944 0.004 . . . . . . . . . . 5306 2 92 . 2 2 13 13 ARG HB3 H 1 1.791 0.001 . . . . . . . . . . 5306 2 93 . 2 2 13 13 ARG CG C 13 28.003 0.000 . . . . . . . . . . 5306 2 94 . 2 2 13 13 ARG CD C 13 43.941 0.000 . . . . . . . . . . 5306 2 95 . 2 2 13 13 ARG C C 13 177.478 0.002 . . . . . . . . . . 5306 2 96 . 2 2 14 14 LYS N N 15 118.734 0.028 . . . . . . . . . . 5306 2 97 . 2 2 14 14 LYS H H 1 7.514 0.005 . . . . . . . . . . 5306 2 98 . 2 2 14 14 LYS CA C 13 59.253 0.000 . . . . . . . . . . 5306 2 99 . 2 2 14 14 LYS HA H 1 4.143 0.000 . . . . . . . . . . 5306 2 100 . 2 2 14 14 LYS CB C 13 31.753 0.000 . . . . . . . . . . 5306 2 101 . 2 2 14 14 LYS CG C 13 24.566 0.000 . . . . . . . . . . 5306 2 102 . 2 2 14 14 LYS HG2 H 1 1.576 0.002 . . . . . . . . . . 5306 2 103 . 2 2 14 14 LYS HG3 H 1 1.406 0.001 . . . . . . . . . . 5306 2 104 . 2 2 14 14 LYS CD C 13 28.941 0.000 . . . . . . . . . . 5306 2 105 . 2 2 14 14 LYS CE C 13 41.753 0.000 . . . . . . . . . . 5306 2 106 . 2 2 14 14 LYS C C 13 178.876 0.003 . . . . . . . . . . 5306 2 107 . 2 2 15 15 LEU N N 15 118.736 0.031 . . . . . . . . . . 5306 2 108 . 2 2 15 15 LEU H H 1 7.530 0.004 . . . . . . . . . . 5306 2 109 . 2 2 15 15 LEU CA C 13 58.316 0.000 . . . . . . . . . . 5306 2 110 . 2 2 15 15 LEU HA H 1 4.079 0.001 . . . . . . . . . . 5306 2 111 . 2 2 15 15 LEU CB C 13 41.753 0.000 . . . . . . . . . . 5306 2 112 . 2 2 15 15 LEU HB2 H 1 2.053 0.000 . . . . . . . . . . 5306 2 113 . 2 2 15 15 LEU HB3 H 1 1.510 0.002 . . . . . . . . . . 5306 2 114 . 2 2 15 15 LEU CG C 13 26.441 0.000 . . . . . . . . . . 5306 2 115 . 2 2 15 15 LEU HG H 1 1.941 0.004 . . . . . . . . . . 5306 2 116 . 2 2 15 15 LEU CD1 C 13 25.503 0.000 . . . . . . . . . . 5306 2 117 . 2 2 15 15 LEU CD2 C 13 22.066 0.000 . . . . . . . . . . 5306 2 118 . 2 2 15 15 LEU HD11 H 1 0.863 0.001 . 1 . . . . . . . . 5306 2 119 . 2 2 15 15 LEU HD12 H 1 0.863 0.001 . 1 . . . . . . . . 5306 2 120 . 2 2 15 15 LEU HD13 H 1 0.863 0.001 . 1 . . . . . . . . 5306 2 121 . 2 2 15 15 LEU HD21 H 1 0.863 0.001 . 1 . . . . . . . . 5306 2 122 . 2 2 15 15 LEU HD22 H 1 0.863 0.001 . 1 . . . . . . . . 5306 2 123 . 2 2 15 15 LEU HD23 H 1 0.863 0.001 . 1 . . . . . . . . 5306 2 124 . 2 2 15 15 LEU C C 13 180.354 0.014 . . . . . . . . . . 5306 2 125 . 2 2 16 16 ILE N N 15 122.003 0.006 . . . . . . . . . . 5306 2 126 . 2 2 16 16 ILE H H 1 8.261 0.002 . . . . . . . . . . 5306 2 127 . 2 2 16 16 ILE CA C 13 65.503 0.000 . . . . . . . . . . 5306 2 128 . 2 2 16 16 ILE HA H 1 3.380 0.001 . . . . . . . . . . 5306 2 129 . 2 2 16 16 ILE CB C 13 37.378 0.000 . . . . . . . . . . 5306 2 130 . 2 2 16 16 ILE HB H 1 1.957 0.001 . . . . . . . . . . 5306 2 131 . 2 2 16 16 ILE HG21 H 1 0.735 0.003 . 1 . . . . . . . . 5306 2 132 . 2 2 16 16 ILE HG22 H 1 0.735 0.003 . 1 . . . . . . . . 5306 2 133 . 2 2 16 16 ILE HG23 H 1 0.735 0.003 . 1 . . . . . . . . 5306 2 134 . 2 2 16 16 ILE CG2 C 13 17.066 0.000 . . . . . . . . . . 5306 2 135 . 2 2 16 16 ILE CG1 C 13 30.503 0.000 . . . . . . . . . . 5306 2 136 . 2 2 16 16 ILE HD11 H 1 0.646 0.002 . 1 . . . . . . . . 5306 2 137 . 2 2 16 16 ILE HD12 H 1 0.646 0.002 . 1 . . . . . . . . 5306 2 138 . 2 2 16 16 ILE HD13 H 1 0.646 0.002 . 1 . . . . . . . . 5306 2 139 . 2 2 16 16 ILE CD1 C 13 15.816 0.000 . . . . . . . . . . 5306 2 140 . 2 2 16 16 ILE C C 13 176.822 0.000 . . . . . . . . . . 5306 2 141 . 2 2 17 17 GLN N N 15 119.160 0.006 . . . . . . . . . . 5306 2 142 . 2 2 17 17 GLN H H 1 8.219 0.003 . . . . . . . . . . 5306 2 143 . 2 2 17 17 GLN CA C 13 59.566 0.000 . . . . . . . . . . 5306 2 144 . 2 2 17 17 GLN HA H 1 3.798 0.001 . . . . . . . . . . 5306 2 145 . 2 2 17 17 GLN CB C 13 29.253 0.000 . . . . . . . . . . 5306 2 146 . 2 2 17 17 GLN HB2 H 1 2.398 0.002 . . . . . . . . . . 5306 2 147 . 2 2 17 17 GLN HB3 H 1 2.233 0.001 . . . . . . . . . . 5306 2 148 . 2 2 17 17 GLN CG C 13 34.253 0.000 . . . . . . . . . . 5306 2 149 . 2 2 17 17 GLN HG2 H 1 2.709 0.002 . . . . . . . . . . 5306 2 150 . 2 2 17 17 GLN HG3 H 1 2.404 0.005 . . . . . . . . . . 5306 2 151 . 2 2 17 17 GLN NE2 N 15 111.068 0.000 . . . . . . . . . . 5306 2 152 . 2 2 17 17 GLN HE21 H 1 7.698 0.005 . . . . . . . . . . 5306 2 153 . 2 2 17 17 GLN HE22 H 1 6.642 0.005 . . . . . . . . . . 5306 2 154 . 2 2 17 17 GLN C C 13 177.564 0.043 . . . . . . . . . . 5306 2 155 . 2 2 18 18 GLN N N 15 116.535 0.007 . . . . . . . . . . 5306 2 156 . 2 2 18 18 GLN H H 1 8.220 0.003 . . . . . . . . . . 5306 2 157 . 2 2 18 18 GLN CA C 13 58.316 0.000 . . . . . . . . . . 5306 2 158 . 2 2 18 18 GLN HA H 1 3.951 0.000 . . . . . . . . . . 5306 2 159 . 2 2 18 18 GLN CB C 13 28.316 0.000 . . . . . . . . . . 5306 2 160 . 2 2 18 18 GLN HB2 H 1 2.156 0.001 . . . . . . . . . . 5306 2 161 . 2 2 18 18 GLN HB3 H 1 2.074 0.000 . . . . . . . . . . 5306 2 162 . 2 2 18 18 GLN CG C 13 34.566 0.000 . . . . . . . . . . 5306 2 163 . 2 2 18 18 GLN HG2 H 1 2.510 0.000 . . . . . . . . . . 5306 2 164 . 2 2 18 18 GLN HG3 H 1 2.401 0.001 . . . . . . . . . . 5306 2 165 . 2 2 18 18 GLN NE2 N 15 111.068 0.000 . . . . . . . . . . 5306 2 166 . 2 2 18 18 GLN HE21 H 1 7.762 0.002 . . . . . . . . . . 5306 2 167 . 2 2 18 18 GLN HE22 H 1 6.898 0.005 . . . . . . . . . . 5306 2 168 . 2 2 18 18 GLN C C 13 178.169 0.021 . . . . . . . . . . 5306 2 169 . 2 2 19 19 GLN N N 15 121.787 0.000 . . . . . . . . . . 5306 2 170 . 2 2 19 19 GLN H H 1 8.315 0.000 . . . . . . . . . . 5306 2 171 . 2 2 19 19 GLN CA C 13 59.878 0.000 . . . . . . . . . . 5306 2 172 . 2 2 19 19 GLN HA H 1 3.803 0.004 . . . . . . . . . . 5306 2 173 . 2 2 19 19 GLN CB C 13 27.378 0.000 . . . . . . . . . . 5306 2 174 . 2 2 19 19 GLN CG C 13 34.253 0.000 . . . . . . . . . . 5306 2 175 . 2 2 19 19 GLN HG2 H 1 2.087 0.000 . . . . . . . . . . 5306 2 176 . 2 2 19 19 GLN HG3 H 1 2.062 0.010 . . . . . . . . . . 5306 2 177 . 2 2 19 19 GLN C C 13 177.353 0.021 . . . . . . . . . . 5306 2 178 . 2 2 20 20 LEU N N 15 120.481 0.024 . . . . . . . . . . 5306 2 179 . 2 2 20 20 LEU H H 1 8.406 0.002 . . . . . . . . . . 5306 2 180 . 2 2 20 20 LEU CA C 13 58.316 0.000 . . . . . . . . . . 5306 2 181 . 2 2 20 20 LEU HA H 1 3.952 0.002 . . . . . . . . . . 5306 2 182 . 2 2 20 20 LEU CB C 13 40.816 0.000 . . . . . . . . . . 5306 2 183 . 2 2 20 20 LEU HB2 H 1 1.957 0.004 . . . . . . . . . . 5306 2 184 . 2 2 20 20 LEU HB3 H 1 1.275 0.005 . . . . . . . . . . 5306 2 185 . 2 2 20 20 LEU CG C 13 26.441 0.000 . . . . . . . . . . 5306 2 186 . 2 2 20 20 LEU HG H 1 1.077 0.001 . . . . . . . . . . 5306 2 187 . 2 2 20 20 LEU HD11 H 1 0.349 0.053 . 1 . . . . . . . . 5306 2 188 . 2 2 20 20 LEU HD12 H 1 0.349 0.053 . 1 . . . . . . . . 5306 2 189 . 2 2 20 20 LEU HD13 H 1 0.349 0.053 . 1 . . . . . . . . 5306 2 190 . 2 2 20 20 LEU HD21 H 1 0.662 0.005 . 1 . . . . . . . . 5306 2 191 . 2 2 20 20 LEU HD22 H 1 0.662 0.005 . 1 . . . . . . . . 5306 2 192 . 2 2 20 20 LEU HD23 H 1 0.662 0.005 . 1 . . . . . . . . 5306 2 193 . 2 2 20 20 LEU CD1 C 13 20.503 0.000 . . . . . . . . . . 5306 2 194 . 2 2 20 20 LEU CD2 C 13 26.128 0.000 . . . . . . . . . . 5306 2 195 . 2 2 20 20 LEU C C 13 177.479 0.000 . . . . . . . . . . 5306 2 196 . 2 2 21 21 VAL N N 15 118.287 0.000 . . . . . . . . . . 5306 2 197 . 2 2 21 21 VAL H H 1 8.315 0.001 . . . . . . . . . . 5306 2 198 . 2 2 21 21 VAL CA C 13 67.066 0.000 . . . . . . . . . . 5306 2 199 . 2 2 21 21 VAL HA H 1 3.444 0.001 . . . . . . . . . . 5306 2 200 . 2 2 21 21 VAL CB C 13 31.753 0.000 . . . . . . . . . . 5306 2 201 . 2 2 21 21 VAL HB H 1 2.157 0.003 . . . . . . . . . . 5306 2 202 . 2 2 21 21 VAL HG11 H 1 0.912 0.003 . 1 . . . . . . . . 5306 2 203 . 2 2 21 21 VAL HG12 H 1 0.912 0.003 . 1 . . . . . . . . 5306 2 204 . 2 2 21 21 VAL HG13 H 1 0.912 0.003 . 1 . . . . . . . . 5306 2 205 . 2 2 21 21 VAL HG21 H 1 1.077 0.002 . 1 . . . . . . . . 5306 2 206 . 2 2 21 21 VAL HG22 H 1 1.077 0.002 . 1 . . . . . . . . 5306 2 207 . 2 2 21 21 VAL HG23 H 1 1.077 0.002 . 1 . . . . . . . . 5306 2 208 . 2 2 21 21 VAL CG1 C 13 20.816 0.000 . . . . . . . . . . 5306 2 209 . 2 2 21 21 VAL CG2 C 13 23.628 0.000 . . . . . . . . . . 5306 2 210 . 2 2 21 21 VAL C C 13 179.425 0.000 . . . . . . . . . . 5306 2 211 . 2 2 22 22 LEU N N 15 120.700 0.023 . . . . . . . . . . 5306 2 212 . 2 2 22 22 LEU H H 1 7.736 0.002 . . . . . . . . . . 5306 2 213 . 2 2 22 22 LEU CA C 13 57.476 0.000 . . . . . . . . . . 5306 2 214 . 2 2 22 22 LEU HA H 1 4.102 0.005 . . . . . . . . . . 5306 2 215 . 2 2 22 22 LEU CB C 13 43.003 0.000 . . . . . . . . . . 5306 2 216 . 2 2 22 22 LEU HB2 H 1 1.962 0.002 . . . . . . . . . . 5306 2 217 . 2 2 22 22 LEU HB3 H 1 1.426 0.004 . . . . . . . . . . 5306 2 218 . 2 2 22 22 LEU CG C 13 27.691 0.000 . . . . . . . . . . 5306 2 219 . 2 2 22 22 LEU HG H 1 1.707 0.001 . . . . . . . . . . 5306 2 220 . 2 2 22 22 LEU HD11 H 1 0.875 0.011 . 1 . . . . . . . . 5306 2 221 . 2 2 22 22 LEU HD12 H 1 0.875 0.011 . 1 . . . . . . . . 5306 2 222 . 2 2 22 22 LEU HD13 H 1 0.875 0.011 . 1 . . . . . . . . 5306 2 223 . 2 2 22 22 LEU HD21 H 1 0.844 0.002 . 1 . . . . . . . . 5306 2 224 . 2 2 22 22 LEU HD22 H 1 0.844 0.002 . 1 . . . . . . . . 5306 2 225 . 2 2 22 22 LEU HD23 H 1 0.844 0.002 . 1 . . . . . . . . 5306 2 226 . 2 2 22 22 LEU CD1 C 13 24.253 0.000 . . . . . . . . . . 5306 2 227 . 2 2 22 22 LEU CD2 C 13 25.191 0.000 . . . . . . . . . . 5306 2 228 . 2 2 22 22 LEU C C 13 178.745 0.011 . . . . . . . . . . 5306 2 229 . 2 2 23 23 LEU N N 15 122.879 0.005 . . . . . . . . . . 5306 2 230 . 2 2 23 23 LEU H H 1 8.488 0.002 . . . . . . . . . . 5306 2 231 . 2 2 23 23 LEU CA C 13 58.941 0.000 . . . . . . . . . . 5306 2 232 . 2 2 23 23 LEU HA H 1 3.861 0.005 . . . . . . . . . . 5306 2 233 . 2 2 23 23 LEU CB C 13 42.691 0.000 . . . . . . . . . . 5306 2 234 . 2 2 23 23 LEU HB2 H 1 2.092 0.001 . . . . . . . . . . 5306 2 235 . 2 2 23 23 LEU HB3 H 1 1.198 0.009 . . . . . . . . . . 5306 2 236 . 2 2 23 23 LEU CG C 13 27.378 0.000 . . . . . . . . . . 5306 2 237 . 2 2 23 23 LEU HG H 1 1.871 0.000 . . . . . . . . . . 5306 2 238 . 2 2 23 23 LEU HD11 H 1 0.904 0.003 . 1 . . . . . . . . 5306 2 239 . 2 2 23 23 LEU HD12 H 1 0.904 0.003 . 1 . . . . . . . . 5306 2 240 . 2 2 23 23 LEU HD13 H 1 0.904 0.003 . 1 . . . . . . . . 5306 2 241 . 2 2 23 23 LEU HD21 H 1 0.952 0.002 . 1 . . . . . . . . 5306 2 242 . 2 2 23 23 LEU HD22 H 1 0.952 0.002 . 1 . . . . . . . . 5306 2 243 . 2 2 23 23 LEU HD23 H 1 0.952 0.002 . 1 . . . . . . . . 5306 2 244 . 2 2 23 23 LEU CD1 C 13 24.878 0.000 . . . . . . . . . . 5306 2 245 . 2 2 23 23 LEU CD2 C 13 23.316 0.000 . . . . . . . . . . 5306 2 246 . 2 2 23 23 LEU C C 13 177.949 0.011 . . . . . . . . . . 5306 2 247 . 2 2 24 24 LEU N N 15 118.287 0.000 . . . . . . . . . . 5306 2 248 . 2 2 24 24 LEU H H 1 8.324 0.001 . . . . . . . . . . 5306 2 249 . 2 2 24 24 LEU CA C 13 58.420 0.233 . . . . . . . . . . 5306 2 250 . 2 2 24 24 LEU HA H 1 3.871 0.001 . . . . . . . . . . 5306 2 251 . 2 2 24 24 LEU CB C 13 41.441 0.000 . . . . . . . . . . 5306 2 252 . 2 2 24 24 LEU HB2 H 1 1.795 0.002 . . . . . . . . . . 5306 2 253 . 2 2 24 24 LEU HB3 H 1 1.368 0.004 . . . . . . . . . . 5306 2 254 . 2 2 24 24 LEU CG C 13 27.066 0.000 . . . . . . . . . . 5306 2 255 . 2 2 24 24 LEU HG H 1 1.297 0.004 . . . . . . . . . . 5306 2 256 . 2 2 24 24 LEU HD11 H 1 0.297 0.001 . 1 . . . . . . . . 5306 2 257 . 2 2 24 24 LEU HD12 H 1 0.297 0.001 . 1 . . . . . . . . 5306 2 258 . 2 2 24 24 LEU HD13 H 1 0.297 0.001 . 1 . . . . . . . . 5306 2 259 . 2 2 24 24 LEU HD21 H 1 0.606 0.002 . 1 . . . . . . . . 5306 2 260 . 2 2 24 24 LEU HD22 H 1 0.606 0.002 . 1 . . . . . . . . 5306 2 261 . 2 2 24 24 LEU HD23 H 1 0.606 0.002 . 1 . . . . . . . . 5306 2 262 . 2 2 24 24 LEU CD1 C 13 25.191 0.000 . . . . . . . . . . 5306 2 263 . 2 2 24 24 LEU CD2 C 13 23.316 0.000 . . . . . . . . . . 5306 2 264 . 2 2 24 24 LEU C C 13 180.167 0.010 . . . . . . . . . . 5306 2 265 . 2 2 25 25 HIS N N 15 117.193 0.000 . . . . . . . . . . 5306 2 266 . 2 2 25 25 HIS H H 1 8.242 0.002 . . . . . . . . . . 5306 2 267 . 2 2 25 25 HIS CA C 13 60.191 0.000 . . . . . . . . . . 5306 2 268 . 2 2 25 25 HIS HA H 1 4.100 0.001 . . . . . . . . . . 5306 2 269 . 2 2 25 25 HIS CB C 13 27.378 0.000 . . . . . . . . . . 5306 2 270 . 2 2 25 25 HIS HB2 H 1 3.357 0.001 . . . . . . . . . . 5306 2 271 . 2 2 25 25 HIS HB3 H 1 3.253 0.002 . . . . . . . . . . 5306 2 272 . 2 2 25 25 HIS HD2 H 1 7.160 0.001 . . . . . . . . . . 5306 2 273 . 2 2 25 25 HIS HE1 H 1 7.921 0.001 . . . . . . . . . . 5306 2 274 . 2 2 25 25 HIS C C 13 176.660 0.039 . . . . . . . . . . 5306 2 275 . 2 2 26 26 ALA N N 15 121.787 0.000 . . . . . . . . . . 5306 2 276 . 2 2 26 26 ALA H H 1 9.223 0.005 . . . . . . . . . . 5306 2 277 . 2 2 26 26 ALA CA C 13 55.191 0.000 . . . . . . . . . . 5306 2 278 . 2 2 26 26 ALA HA H 1 3.993 0.002 . . . . . . . . . . 5306 2 279 . 2 2 26 26 ALA HB1 H 1 1.499 0.001 . 1 . . . . . . . . 5306 2 280 . 2 2 26 26 ALA HB2 H 1 1.499 0.001 . 1 . . . . . . . . 5306 2 281 . 2 2 26 26 ALA HB3 H 1 1.499 0.001 . 1 . . . . . . . . 5306 2 282 . 2 2 26 26 ALA CB C 13 18.628 0.000 . . . . . . . . . . 5306 2 283 . 2 2 26 26 ALA C C 13 178.913 0.011 . . . . . . . . . . 5306 2 284 . 2 2 27 27 HIS N N 15 115.224 0.000 . . . . . . . . . . 5306 2 285 . 2 2 27 27 HIS H H 1 8.007 0.003 . . . . . . . . . . 5306 2 286 . 2 2 27 27 HIS CA C 13 58.628 0.000 . . . . . . . . . . 5306 2 287 . 2 2 27 27 HIS HA H 1 4.381 0.001 . . . . . . . . . . 5306 2 288 . 2 2 27 27 HIS CB C 13 31.128 0.000 . . . . . . . . . . 5306 2 289 . 2 2 27 27 HIS HB2 H 1 3.133 0.006 . . . . . . . . . . 5306 2 290 . 2 2 27 27 HIS HB3 H 1 3.060 0.002 . . . . . . . . . . 5306 2 291 . 2 2 27 27 HIS HD2 H 1 6.987 0.002 . . . . . . . . . . 5306 2 292 . 2 2 27 27 HIS C C 13 177.014 0.005 . . . . . . . . . . 5306 2 293 . 2 2 28 28 LYS N N 15 118.724 0.000 . . . . . . . . . . 5306 2 294 . 2 2 28 28 LYS H H 1 7.186 0.004 . . . . . . . . . . 5306 2 295 . 2 2 28 28 LYS CA C 13 58.628 0.000 . . . . . . . . . . 5306 2 296 . 2 2 28 28 LYS HA H 1 3.744 0.000 . . . . . . . . . . 5306 2 297 . 2 2 28 28 LYS CB C 13 27.284 11.391 . . . . . . . . . . 5306 2 298 . 2 2 28 28 LYS HB2 H 1 1.822 0.001 . . . . . . . . . . 5306 2 299 . 2 2 28 28 LYS HB3 H 1 1.781 0.003 . . . . . . . . . . 5306 2 300 . 2 2 28 28 LYS CG C 13 24.878 0.000 . . . . . . . . . . 5306 2 301 . 2 2 28 28 LYS HG2 H 1 1.575 0.001 . . . . . . . . . . 5306 2 302 . 2 2 28 28 LYS HG3 H 1 1.394 0.001 . . . . . . . . . . 5306 2 303 . 2 2 28 28 LYS CD C 13 28.941 0.000 . . . . . . . . . . 5306 2 304 . 2 2 28 28 LYS CE C 13 42.066 0.000 . . . . . . . . . . 5306 2 305 . 2 2 28 28 LYS C C 13 177.783 0.010 . . . . . . . . . . 5306 2 306 . 2 2 29 29 CYS N N 15 123.974 0.000 . . . . . . . . . . 5306 2 307 . 2 2 29 29 CYS H H 1 8.713 0.001 . . . . . . . . . . 5306 2 308 . 2 2 29 29 CYS CA C 13 62.378 0.000 . . . . . . . . . . 5306 2 309 . 2 2 29 29 CYS HA H 1 3.677 0.005 . . . . . . . . . . 5306 2 310 . 2 2 29 29 CYS CB C 13 29.253 0.000 . . . . . . . . . . 5306 2 311 . 2 2 29 29 CYS HB2 H 1 2.563 0.001 . . . . . . . . . . 5306 2 312 . 2 2 29 29 CYS HB3 H 1 2.059 0.005 . . . . . . . . . . 5306 2 313 . 2 2 29 29 CYS C C 13 177.445 0.000 . . . . . . . . . . 5306 2 314 . 2 2 30 30 GLN N N 15 119.162 0.000 . . . . . . . . . . 5306 2 315 . 2 2 30 30 GLN H H 1 8.212 0.005 . . . . . . . . . . 5306 2 316 . 2 2 30 30 GLN CA C 13 57.691 0.000 . . . . . . . . . . 5306 2 317 . 2 2 30 30 GLN HA H 1 4.164 0.000 . . . . . . . . . . 5306 2 318 . 2 2 30 30 GLN CB C 13 28.765 0.000 . . . . . . . . . . 5306 2 319 . 2 2 30 30 GLN HB2 H 1 2.308 0.000 . . . . . . . . . . 5306 2 320 . 2 2 30 30 GLN HB3 H 1 2.078 0.000 . . . . . . . . . . 5306 2 321 . 2 2 30 30 GLN CG C 13 33.941 0.000 . . . . . . . . . . 5306 2 322 . 2 2 30 30 GLN NE2 N 15 111.068 0.000 . . . . . . . . . . 5306 2 323 . 2 2 30 30 GLN HE21 H 1 7.492 0.003 . . . . . . . . . . 5306 2 324 . 2 2 30 30 GLN HE22 H 1 6.799 0.008 . . . . . . . . . . 5306 2 325 . 2 2 30 30 GLN C C 13 177.372 0.000 . . . . . . . . . . 5306 2 326 . 2 2 31 31 ARG N N 15 119.378 0.005 . . . . . . . . . . 5306 2 327 . 2 2 31 31 ARG H H 1 7.679 0.003 . . . . . . . . . . 5306 2 328 . 2 2 31 31 ARG CA C 13 58.003 0.000 . . . . . . . . . . 5306 2 329 . 2 2 31 31 ARG HA H 1 4.040 0.001 . . . . . . . . . . 5306 2 330 . 2 2 31 31 ARG CB C 13 29.566 0.000 . . . . . . . . . . 5306 2 331 . 2 2 31 31 ARG CG C 13 26.910 0.156 . . . . . . . . . . 5306 2 332 . 2 2 31 31 ARG HG2 H 1 1.500 0.000 . . . . . . . . . . 5306 2 333 . 2 2 31 31 ARG HG3 H 1 1.480 0.001 . . . . . . . . . . 5306 2 334 . 2 2 31 31 ARG CD C 13 43.003 0.000 . . . . . . . . . . 5306 2 335 . 2 2 31 31 ARG C C 13 178.327 0.002 . . . . . . . . . . 5306 2 336 . 2 2 32 32 ARG N N 15 120.037 0.001 . . . . . . . . . . 5306 2 337 . 2 2 32 32 ARG H H 1 7.904 0.003 . . . . . . . . . . 5306 2 338 . 2 2 32 32 ARG CA C 13 57.691 0.000 . . . . . . . . . . 5306 2 339 . 2 2 32 32 ARG HA H 1 4.143 0.000 . . . . . . . . . . 5306 2 340 . 2 2 32 32 ARG CB C 13 30.191 0.000 . . . . . . . . . . 5306 2 341 . 2 2 32 32 ARG CG C 13 26.851 0.000 . . . . . . . . . . 5306 2 342 . 2 2 32 32 ARG CD C 13 43.316 0.000 . . . . . . . . . . 5306 2 343 . 2 2 32 32 ARG C C 13 177.630 0.002 . . . . . . . . . . 5306 2 344 . 2 2 33 33 GLU N N 15 120.255 0.000 . . . . . . . . . . 5306 2 345 . 2 2 33 33 GLU H H 1 8.055 0.002 . . . . . . . . . . 5306 2 346 . 2 2 33 33 GLU CA C 13 57.691 0.000 . . . . . . . . . . 5306 2 347 . 2 2 33 33 GLU HA H 1 4.163 0.002 . . . . . . . . . . 5306 2 348 . 2 2 33 33 GLU CB C 13 29.566 0.000 . . . . . . . . . . 5306 2 349 . 2 2 33 33 GLU HB2 H 1 2.122 0.000 . . . . . . . . . . 5306 2 350 . 2 2 33 33 GLU HB3 H 1 2.078 0.000 . . . . . . . . . . 5306 2 351 . 2 2 33 33 GLU CG C 13 36.441 0.000 . . . . . . . . . . 5306 2 352 . 2 2 33 33 GLU HG2 H 1 2.431 0.001 . . . . . . . . . . 5306 2 353 . 2 2 33 33 GLU HG3 H 1 2.308 0.002 . . . . . . . . . . 5306 2 354 . 2 2 33 33 GLU C C 13 177.868 0.003 . . . . . . . . . . 5306 2 355 . 2 2 34 34 GLN N N 15 118.721 0.008 . . . . . . . . . . 5306 2 356 . 2 2 34 34 GLN H H 1 8.109 0.006 . . . . . . . . . . 5306 2 357 . 2 2 34 34 GLN CA C 13 56.441 0.000 . . . . . . . . . . 5306 2 358 . 2 2 34 34 GLN HA H 1 4.225 0.000 . . . . . . . . . . 5306 2 359 . 2 2 34 34 GLN CB C 13 28.628 0.000 . . . . . . . . . . 5306 2 360 . 2 2 34 34 GLN HB2 H 1 2.108 0.000 . . . . . . . . . . 5306 2 361 . 2 2 34 34 GLN HB3 H 1 2.080 0.002 . . . . . . . . . . 5306 2 362 . 2 2 34 34 GLN CG C 13 33.941 0.000 . . . . . . . . . . 5306 2 363 . 2 2 34 34 GLN HG2 H 1 2.492 0.000 . . . . . . . . . . 5306 2 364 . 2 2 34 34 GLN HG3 H 1 2.472 0.001 . . . . . . . . . . 5306 2 365 . 2 2 34 34 GLN C C 13 176.854 0.000 . . . . . . . . . . 5306 2 366 . 2 2 35 35 ALA N N 15 122.439 0.008 . . . . . . . . . . 5306 2 367 . 2 2 35 35 ALA H H 1 7.960 0.003 . . . . . . . . . . 5306 2 368 . 2 2 35 35 ALA CA C 13 53.003 0.000 . . . . . . . . . . 5306 2 369 . 2 2 35 35 ALA HA H 1 4.275 0.000 . . . . . . . . . . 5306 2 370 . 2 2 35 35 ALA HB1 H 1 1.426 0.000 . 1 . . . . . . . . 5306 2 371 . 2 2 35 35 ALA HB2 H 1 1.426 0.000 . 1 . . . . . . . . 5306 2 372 . 2 2 35 35 ALA HB3 H 1 1.426 0.000 . 1 . . . . . . . . 5306 2 373 . 2 2 35 35 ALA CB C 13 18.941 0.000 . . . . . . . . . . 5306 2 374 . 2 2 35 35 ALA C C 13 177.922 0.004 . . . . . . . . . . 5306 2 375 . 2 2 36 36 ASN N N 15 115.443 0.001 . . . . . . . . . . 5306 2 376 . 2 2 36 36 ASN H H 1 8.096 0.002 . . . . . . . . . . 5306 2 377 . 2 2 36 36 ASN CA C 13 53.003 0.000 . . . . . . . . . . 5306 2 378 . 2 2 36 36 ASN HA H 1 4.699 0.001 . . . . . . . . . . 5306 2 379 . 2 2 36 36 ASN CB C 13 38.628 0.000 . . . . . . . . . . 5306 2 380 . 2 2 36 36 ASN HB2 H 1 2.868 0.002 . . . . . . . . . . 5306 2 381 . 2 2 36 36 ASN HB3 H 1 2.823 0.002 . . . . . . . . . . 5306 2 382 . 2 2 36 36 ASN C C 13 175.617 0.002 . . . . . . . . . . 5306 2 383 . 2 2 37 37 GLY N N 15 108.889 0.026 . . . . . . . . . . 5306 2 384 . 2 2 37 37 GLY H H 1 8.223 0.002 . . . . . . . . . . 5306 2 385 . 2 2 37 37 GLY CA C 13 45.503 0.000 . . . . . . . . . . 5306 2 386 . 2 2 37 37 GLY C C 13 174.059 0.000 . . . . . . . . . . 5306 2 387 . 2 2 38 38 GLU N N 15 119.819 0.002 . . . . . . . . . . 5306 2 388 . 2 2 38 38 GLU H H 1 8.092 0.001 . . . . . . . . . . 5306 2 389 . 2 2 38 38 GLU CA C 13 55.816 0.000 . . . . . . . . . . 5306 2 390 . 2 2 38 38 GLU HA H 1 4.300 0.001 . . . . . . . . . . 5306 2 391 . 2 2 38 38 GLU CB C 13 30.191 0.000 . . . . . . . . . . 5306 2 392 . 2 2 38 38 GLU CG C 13 35.816 0.000 . . . . . . . . . . 5306 2 393 . 2 2 38 38 GLU C C 13 176.079 0.001 . . . . . . . . . . 5306 2 394 . 2 2 39 39 VAL N N 15 121.565 0.007 . . . . . . . . . . 5306 2 395 . 2 2 39 39 VAL H H 1 8.122 0.003 . . . . . . . . . . 5306 2 396 . 2 2 39 39 VAL CA C 13 54.644 12.855 . . . . . . . . . . 5306 2 397 . 2 2 39 39 VAL HA H 1 4.090 0.001 . . . . . . . . . . 5306 2 398 . 2 2 39 39 VAL CB C 13 32.378 0.000 . . . . . . . . . . 5306 2 399 . 2 2 39 39 VAL HB H 1 2.040 0.000 . . . . . . . . . . 5306 2 400 . 2 2 39 39 VAL HG11 H 1 0.883 0.000 . 1 . . . . . . . . 5306 2 401 . 2 2 39 39 VAL HG12 H 1 0.883 0.000 . 1 . . . . . . . . 5306 2 402 . 2 2 39 39 VAL HG13 H 1 0.883 0.000 . 1 . . . . . . . . 5306 2 403 . 2 2 39 39 VAL HG21 H 1 0.915 0.000 . 1 . . . . . . . . 5306 2 404 . 2 2 39 39 VAL HG22 H 1 0.915 0.000 . 1 . . . . . . . . 5306 2 405 . 2 2 39 39 VAL HG23 H 1 0.915 0.000 . 1 . . . . . . . . 5306 2 406 . 2 2 39 39 VAL CG1 C 13 20.816 0.000 . . . . . . . . . . 5306 2 407 . 2 2 39 39 VAL CG2 C 13 20.503 0.000 . . . . . . . . . . 5306 2 408 . 2 2 39 39 VAL C C 13 175.879 0.011 . . . . . . . . . . 5306 2 409 . 2 2 40 40 ARG N N 15 125.514 0.026 . . . . . . . . . . 5306 2 410 . 2 2 40 40 ARG H H 1 8.470 0.003 . . . . . . . . . . 5306 2 411 . 2 2 40 40 ARG CA C 13 55.503 0.000 . . . . . . . . . . 5306 2 412 . 2 2 40 40 ARG HA H 1 4.342 0.000 . . . . . . . . . . 5306 2 413 . 2 2 40 40 ARG CB C 13 30.816 0.000 . . . . . . . . . . 5306 2 414 . 2 2 40 40 ARG HB2 H 1 1.607 0.003 . . . . . . . . . . 5306 2 415 . 2 2 40 40 ARG HB3 H 1 1.573 0.002 . . . . . . . . . . 5306 2 416 . 2 2 40 40 ARG CG C 13 26.753 0.000 . . . . . . . . . . 5306 2 417 . 2 2 40 40 ARG HG2 H 1 1.770 0.006 . . . . . . . . . . 5306 2 418 . 2 2 40 40 ARG HG3 H 1 1.720 0.005 . . . . . . . . . . 5306 2 419 . 2 2 40 40 ARG CD C 13 43.003 0.000 . . . . . . . . . . 5306 2 420 . 2 2 40 40 ARG HD2 H 1 3.180 0.005 . . . . . . . . . . 5306 2 421 . 2 2 40 40 ARG HD3 H 1 3.166 0.000 . . . . . . . . . . 5306 2 422 . 2 2 40 40 ARG C C 13 175.721 0.000 . . . . . . . . . . 5306 2 423 . 2 2 41 41 GLN N N 15 122.893 0.031 . . . . . . . . . . 5306 2 424 . 2 2 41 41 GLN H H 1 8.518 0.003 . . . . . . . . . . 5306 2 425 . 2 2 41 41 GLN CA C 13 55.503 0.000 . . . . . . . . . . 5306 2 426 . 2 2 41 41 GLN HA H 1 4.232 0.000 . . . . . . . . . . 5306 2 427 . 2 2 41 41 GLN CB C 13 29.253 0.000 . . . . . . . . . . 5306 2 428 . 2 2 41 41 GLN HB2 H 1 1.987 0.001 . . . . . . . . . . 5306 2 429 . 2 2 41 41 GLN HB3 H 1 1.915 0.000 . . . . . . . . . . 5306 2 430 . 2 2 41 41 GLN CG C 13 33.941 0.000 . . . . . . . . . . 5306 2 431 . 2 2 41 41 GLN NE2 N 15 112.818 0.000 . . . . . . . . . . 5306 2 432 . 2 2 41 41 GLN HE21 H 1 7.541 0.004 . . . . . . . . . . 5306 2 433 . 2 2 41 41 GLN HE22 H 1 6.860 0.001 . . . . . . . . . . 5306 2 434 . 2 2 41 41 GLN C C 13 175.141 0.005 . . . . . . . . . . 5306 2 435 . 2 2 42 42 CYS N N 15 126.380 0.000 . . . . . . . . . . 5306 2 436 . 2 2 42 42 CYS H H 1 8.609 0.005 . . . . . . . . . . 5306 2 437 . 2 2 42 42 CYS CA C 13 59.878 0.000 . . . . . . . . . . 5306 2 438 . 2 2 42 42 CYS HA H 1 4.235 0.001 . . . . . . . . . . 5306 2 439 . 2 2 42 42 CYS CB C 13 29.878 0.000 . . . . . . . . . . 5306 2 440 . 2 2 42 42 CYS HB2 H 1 2.794 0.000 . . . . . . . . . . 5306 2 441 . 2 2 42 42 CYS HB3 H 1 2.741 0.001 . . . . . . . . . . 5306 2 442 . 2 2 42 42 CYS C C 13 175.896 0.028 . . . . . . . . . . 5306 2 443 . 2 2 43 43 ASN N N 15 127.689 0.009 . . . . . . . . . . 5306 2 444 . 2 2 43 43 ASN H H 1 8.731 0.010 . . . . . . . . . . 5306 2 445 . 2 2 43 43 ASN CA C 13 52.378 0.000 . . . . . . . . . . 5306 2 446 . 2 2 43 43 ASN HA H 1 4.918 0.002 . . . . . . . . . . 5306 2 447 . 2 2 43 43 ASN CB C 13 39.253 0.000 . . . . . . . . . . 5306 2 448 . 2 2 43 43 ASN HB2 H 1 2.852 0.002 . . . . . . . . . . 5306 2 449 . 2 2 43 43 ASN HB3 H 1 2.722 0.006 . . . . . . . . . . 5306 2 450 . 2 2 43 43 ASN ND2 N 15 112.162 0.000 . . . . . . . . . . 5306 2 451 . 2 2 43 43 ASN HD21 H 1 7.491 0.004 . . . . . . . . . . 5306 2 452 . 2 2 43 43 ASN HD22 H 1 6.807 0.004 . . . . . . . . . . 5306 2 453 . 2 2 43 43 ASN C C 13 176.596 0.000 . . . . . . . . . . 5306 2 454 . 2 2 44 44 LEU CA C 13 53.941 0.000 . . . . . . . . . . 5306 2 455 . 2 2 44 44 LEU HA H 1 4.389 0.001 . . . . . . . . . . 5306 2 456 . 2 2 44 44 LEU CB C 13 41.441 0.000 . . . . . . . . . . 5306 2 457 . 2 2 44 44 LEU CG C 13 26.441 0.000 . . . . . . . . . . 5306 2 458 . 2 2 44 44 LEU HG H 1 1.423 0.000 . . . . . . . . . . 5306 2 459 . 2 2 44 44 LEU HD11 H 1 0.577 0.002 . 1 . . . . . . . . 5306 2 460 . 2 2 44 44 LEU HD12 H 1 0.577 0.002 . 1 . . . . . . . . 5306 2 461 . 2 2 44 44 LEU HD13 H 1 0.577 0.002 . 1 . . . . . . . . 5306 2 462 . 2 2 44 44 LEU HD21 H 1 0.274 0.005 . 1 . . . . . . . . 5306 2 463 . 2 2 44 44 LEU HD22 H 1 0.274 0.005 . 1 . . . . . . . . 5306 2 464 . 2 2 44 44 LEU HD23 H 1 0.274 0.005 . 1 . . . . . . . . 5306 2 465 . 2 2 44 44 LEU CD1 C 13 23.941 0.000 . . . . . . . . . . 5306 2 466 . 2 2 44 44 LEU CD2 C 13 23.316 0.000 . . . . . . . . . . 5306 2 467 . 2 2 45 45 PRO HA H 1 4.452 0.000 . . . . . . . . . . 5306 2 468 . 2 2 45 45 PRO HB2 H 1 2.360 0.005 . . . . . . . . . . 5306 2 469 . 2 2 45 45 PRO HB3 H 1 1.847 0.002 . . . . . . . . . . 5306 2 470 . 2 2 45 45 PRO HG2 H 1 2.109 0.002 . . . . . . . . . . 5306 2 471 . 2 2 45 45 PRO HG3 H 1 1.968 0.002 . . . . . . . . . . 5306 2 472 . 2 2 46 46 HIS HD2 H 1 7.056 0.000 . . . . . . . . . . 5306 2 473 . 2 2 47 47 CYS N N 15 124.193 0.000 . . . . . . . . . . 5306 2 474 . 2 2 47 47 CYS H H 1 7.692 0.001 . . . . . . . . . . 5306 2 475 . 2 2 47 47 CYS CA C 13 64.253 0.000 . . . . . . . . . . 5306 2 476 . 2 2 47 47 CYS HA H 1 3.978 0.003 . . . . . . . . . . 5306 2 477 . 2 2 47 47 CYS CB C 13 28.628 0.000 . . . . . . . . . . 5306 2 478 . 2 2 47 47 CYS HB2 H 1 3.074 0.007 . . . . . . . . . . 5306 2 479 . 2 2 47 47 CYS HB3 H 1 2.708 0.004 . . . . . . . . . . 5306 2 480 . 2 2 47 47 CYS C C 13 176.545 0.000 . . . . . . . . . . 5306 2 481 . 2 2 48 48 ARG N N 15 117.412 0.000 . . . . . . . . . . 5306 2 482 . 2 2 48 48 ARG H H 1 8.362 0.004 . . . . . . . . . . 5306 2 483 . 2 2 48 48 ARG CA C 13 59.253 0.000 . . . . . . . . . . 5306 2 484 . 2 2 48 48 ARG HA H 1 3.914 0.003 . . . . . . . . . . 5306 2 485 . 2 2 48 48 ARG CB C 13 28.316 0.000 . . . . . . . . . . 5306 2 486 . 2 2 48 48 ARG HB2 H 1 2.023 0.002 . . . . . . . . . . 5306 2 487 . 2 2 48 48 ARG HB3 H 1 1.949 0.001 . . . . . . . . . . 5306 2 488 . 2 2 48 48 ARG CG C 13 26.128 0.000 . . . . . . . . . . 5306 2 489 . 2 2 48 48 ARG HG2 H 1 1.783 0.002 . . . . . . . . . . 5306 2 490 . 2 2 48 48 ARG HG3 H 1 1.744 0.025 . . . . . . . . . . 5306 2 491 . 2 2 48 48 ARG CD C 13 42.378 0.000 . . . . . . . . . . 5306 2 492 . 2 2 48 48 ARG HD2 H 1 3.306 0.000 . . . . . . . . . . 5306 2 493 . 2 2 48 48 ARG HD3 H 1 3.246 0.008 . . . . . . . . . . 5306 2 494 . 2 2 48 48 ARG C C 13 178.756 0.001 . . . . . . . . . . 5306 2 495 . 2 2 49 49 THR N N 15 114.787 0.000 . . . . . . . . . . 5306 2 496 . 2 2 49 49 THR H H 1 7.798 0.002 . . . . . . . . . . 5306 2 497 . 2 2 49 49 THR CA C 13 66.128 0.000 . . . . . . . . . . 5306 2 498 . 2 2 49 49 THR HA H 1 3.963 0.000 . . . . . . . . . . 5306 2 499 . 2 2 49 49 THR CB C 13 68.628 0.000 . . . . . . . . . . 5306 2 500 . 2 2 49 49 THR HB H 1 4.211 0.003 . . . . . . . . . . 5306 2 501 . 2 2 49 49 THR HG21 H 1 1.243 0.001 . 1 . . . . . . . . 5306 2 502 . 2 2 49 49 THR HG22 H 1 1.243 0.001 . 1 . . . . . . . . 5306 2 503 . 2 2 49 49 THR HG23 H 1 1.243 0.001 . 1 . . . . . . . . 5306 2 504 . 2 2 49 49 THR CG2 C 13 21.441 0.000 . . . . . . . . . . 5306 2 505 . 2 2 49 49 THR C C 13 176.558 0.000 . . . . . . . . . . 5306 2 506 . 2 2 50 50 MET N N 15 120.046 0.030 . . . . . . . . . . 5306 2 507 . 2 2 50 50 MET H H 1 8.051 0.002 . . . . . . . . . . 5306 2 508 . 2 2 50 50 MET CA C 13 56.753 0.000 . . . . . . . . . . 5306 2 509 . 2 2 50 50 MET HA H 1 4.521 0.001 . . . . . . . . . . 5306 2 510 . 2 2 50 50 MET CB C 13 31.753 0.000 . . . . . . . . . . 5306 2 511 . 2 2 50 50 MET HB2 H 1 2.222 0.002 . . . . . . . . . . 5306 2 512 . 2 2 50 50 MET HB3 H 1 1.841 0.001 . . . . . . . . . . 5306 2 513 . 2 2 50 50 MET CG C 13 33.628 0.000 . . . . . . . . . . 5306 2 514 . 2 2 50 50 MET HG2 H 1 2.570 0.001 . . . . . . . . . . 5306 2 515 . 2 2 50 50 MET HG3 H 1 2.524 0.001 . . . . . . . . . . 5306 2 516 . 2 2 50 50 MET HE1 H 1 1.665 0.001 . 1 . . . . . . . . 5306 2 517 . 2 2 50 50 MET HE2 H 1 1.665 0.001 . 1 . . . . . . . . 5306 2 518 . 2 2 50 50 MET HE3 H 1 1.665 0.001 . 1 . . . . . . . . 5306 2 519 . 2 2 50 50 MET CE C 13 17.691 0.000 . . . . . . . . . . 5306 2 520 . 2 2 50 50 MET C C 13 178.713 0.000 . . . . . . . . . . 5306 2 521 . 2 2 51 51 LYS N N 15 122.667 0.021 . . . . . . . . . . 5306 2 522 . 2 2 51 51 LYS H H 1 9.179 0.005 . . . . . . . . . . 5306 2 523 . 2 2 51 51 LYS CA C 13 61.128 0.000 . . . . . . . . . . 5306 2 524 . 2 2 51 51 LYS HA H 1 3.872 0.007 . . . . . . . . . . 5306 2 525 . 2 2 51 51 LYS CB C 13 32.691 0.000 . . . . . . . . . . 5306 2 526 . 2 2 51 51 LYS HB2 H 1 2.055 0.009 . . . . . . . . . . 5306 2 527 . 2 2 51 51 LYS HB3 H 1 1.826 0.006 . . . . . . . . . . 5306 2 528 . 2 2 51 51 LYS CG C 13 27.378 0.000 . . . . . . . . . . 5306 2 529 . 2 2 51 51 LYS HG2 H 1 2.064 0.006 . . . . . . . . . . 5306 2 530 . 2 2 51 51 LYS HG3 H 1 1.184 0.002 . . . . . . . . . . 5306 2 531 . 2 2 51 51 LYS CD C 13 30.191 0.000 . . . . . . . . . . 5306 2 532 . 2 2 51 51 LYS HD2 H 1 1.692 0.003 . . . . . . . . . . 5306 2 533 . 2 2 51 51 LYS HD3 H 1 1.609 0.002 . . . . . . . . . . 5306 2 534 . 2 2 51 51 LYS CE C 13 42.066 0.000 . . . . . . . . . . 5306 2 535 . 2 2 51 51 LYS HE2 H 1 3.277 0.001 . . . . . . . . . . 5306 2 536 . 2 2 51 51 LYS HE3 H 1 2.700 0.002 . . . . . . . . . . 5306 2 537 . 2 2 51 51 LYS C C 13 178.887 0.014 . . . . . . . . . . 5306 2 538 . 2 2 52 52 ASN N N 15 117.412 0.000 . . . . . . . . . . 5306 2 539 . 2 2 52 52 ASN H H 1 7.941 0.002 . . . . . . . . . . 5306 2 540 . 2 2 52 52 ASN CA C 13 55.816 0.000 . . . . . . . . . . 5306 2 541 . 2 2 52 52 ASN HA H 1 4.558 0.000 . . . . . . . . . . 5306 2 542 . 2 2 52 52 ASN CB C 13 37.066 0.000 . . . . . . . . . . 5306 2 543 . 2 2 52 52 ASN HB2 H 1 3.185 0.002 . . . . . . . . . . 5306 2 544 . 2 2 52 52 ASN HB3 H 1 2.926 0.004 . . . . . . . . . . 5306 2 545 . 2 2 52 52 ASN C C 13 179.190 0.006 . . . . . . . . . . 5306 2 546 . 2 2 53 53 VAL N N 15 123.537 0.000 . . . . . . . . . . 5306 2 547 . 2 2 53 53 VAL H H 1 8.160 0.003 . . . . . . . . . . 5306 2 548 . 2 2 53 53 VAL CA C 13 68.238 2.030 . . . . . . . . . . 5306 2 549 . 2 2 53 53 VAL HA H 1 3.753 0.004 . . . . . . . . . . 5306 2 550 . 2 2 53 53 VAL CB C 13 31.753 0.000 . . . . . . . . . . 5306 2 551 . 2 2 53 53 VAL HB H 1 2.407 0.005 . . . . . . . . . . 5306 2 552 . 2 2 53 53 VAL HG11 H 1 0.963 0.002 . 1 . . . . . . . . 5306 2 553 . 2 2 53 53 VAL HG12 H 1 0.963 0.002 . 1 . . . . . . . . 5306 2 554 . 2 2 53 53 VAL HG13 H 1 0.963 0.002 . 1 . . . . . . . . 5306 2 555 . 2 2 53 53 VAL HG21 H 1 1.242 0.002 . 1 . . . . . . . . 5306 2 556 . 2 2 53 53 VAL HG22 H 1 1.242 0.002 . 1 . . . . . . . . 5306 2 557 . 2 2 53 53 VAL HG23 H 1 1.242 0.002 . 1 . . . . . . . . 5306 2 558 . 2 2 53 53 VAL CG1 C 13 20.816 0.000 . . . . . . . . . . 5306 2 559 . 2 2 53 53 VAL CG2 C 13 23.316 0.000 . . . . . . . . . . 5306 2 560 . 2 2 53 53 VAL C C 13 177.814 0.000 . . . . . . . . . . 5306 2 561 . 2 2 54 54 LEU N N 15 121.568 0.000 . . . . . . . . . . 5306 2 562 . 2 2 54 54 LEU H H 1 8.656 0.001 . . . . . . . . . . 5306 2 563 . 2 2 54 54 LEU CA C 13 58.941 0.000 . . . . . . . . . . 5306 2 564 . 2 2 54 54 LEU HA H 1 3.907 0.004 . . . . . . . . . . 5306 2 565 . 2 2 54 54 LEU CB C 13 41.753 0.000 . . . . . . . . . . 5306 2 566 . 2 2 54 54 LEU HB2 H 1 2.013 0.005 . . . . . . . . . . 5306 2 567 . 2 2 54 54 LEU HB3 H 1 1.496 0.002 . . . . . . . . . . 5306 2 568 . 2 2 54 54 LEU CG C 13 26.441 0.000 . . . . . . . . . . 5306 2 569 . 2 2 54 54 LEU HG H 1 1.749 0.001 . . . . . . . . . . 5306 2 570 . 2 2 54 54 LEU HD11 H 1 0.894 0.003 . 1 . . . . . . . . 5306 2 571 . 2 2 54 54 LEU HD12 H 1 0.894 0.003 . 1 . . . . . . . . 5306 2 572 . 2 2 54 54 LEU HD13 H 1 0.894 0.003 . 1 . . . . . . . . 5306 2 573 . 2 2 54 54 LEU HD21 H 1 0.741 0.001 . 1 . . . . . . . . 5306 2 574 . 2 2 54 54 LEU HD22 H 1 0.741 0.001 . 1 . . . . . . . . 5306 2 575 . 2 2 54 54 LEU HD23 H 1 0.741 0.001 . 1 . . . . . . . . 5306 2 576 . 2 2 54 54 LEU CD1 C 13 25.191 0.000 . . . . . . . . . . 5306 2 577 . 2 2 54 54 LEU CD2 C 13 23.628 0.000 . . . . . . . . . . 5306 2 578 . 2 2 54 54 LEU C C 13 178.745 0.032 . . . . . . . . . . 5306 2 579 . 2 2 55 55 ASN N N 15 116.099 0.000 . . . . . . . . . . 5306 2 580 . 2 2 55 55 ASN H H 1 8.077 0.004 . . . . . . . . . . 5306 2 581 . 2 2 55 55 ASN CA C 13 55.816 0.000 . . . . . . . . . . 5306 2 582 . 2 2 55 55 ASN HA H 1 4.464 0.005 . . . . . . . . . . 5306 2 583 . 2 2 55 55 ASN CB C 13 37.691 0.000 . . . . . . . . . . 5306 2 584 . 2 2 55 55 ASN C C 13 177.563 0.021 . . . . . . . . . . 5306 2 585 . 2 2 56 56 HIS N N 15 118.731 0.024 . . . . . . . . . . 5306 2 586 . 2 2 56 56 HIS H H 1 7.880 0.004 . . . . . . . . . . 5306 2 587 . 2 2 56 56 HIS CA C 13 59.253 0.000 . . . . . . . . . . 5306 2 588 . 2 2 56 56 HIS HA H 1 4.397 0.003 . . . . . . . . . . 5306 2 589 . 2 2 56 56 HIS CB C 13 27.378 0.000 . . . . . . . . . . 5306 2 590 . 2 2 56 56 HIS HB2 H 1 3.509 0.006 . . . . . . . . . . 5306 2 591 . 2 2 56 56 HIS HB3 H 1 3.396 0.003 . . . . . . . . . . 5306 2 592 . 2 2 56 56 HIS HD1 H 1 9.423 0.002 . . . . . . . . . . 5306 2 593 . 2 2 56 56 HIS HD2 H 1 7.219 0.001 . . . . . . . . . . 5306 2 594 . 2 2 56 56 HIS HE1 H 1 8.005 0.001 . . . . . . . . . . 5306 2 595 . 2 2 56 56 HIS C C 13 177.719 0.010 . . . . . . . . . . 5306 2 596 . 2 2 57 57 MET N N 15 119.599 0.000 . . . . . . . . . . 5306 2 597 . 2 2 57 57 MET H H 1 9.406 0.003 . . . . . . . . . . 5306 2 598 . 2 2 57 57 MET CA C 13 53.378 11.750 . . . . . . . . . . 5306 2 599 . 2 2 57 57 MET HA H 1 3.804 0.002 . . . . . . . . . . 5306 2 600 . 2 2 57 57 MET CB C 13 33.941 0.000 . . . . . . . . . . 5306 2 601 . 2 2 57 57 MET HB2 H 1 2.352 0.002 . . . . . . . . . . 5306 2 602 . 2 2 57 57 MET HB3 H 1 2.137 0.003 . . . . . . . . . . 5306 2 603 . 2 2 57 57 MET CG C 13 29.878 0.000 . . . . . . . . . . 5306 2 604 . 2 2 57 57 MET HG2 H 1 2.927 0.006 . . . . . . . . . . 5306 2 605 . 2 2 57 57 MET HG3 H 1 2.854 0.001 . . . . . . . . . . 5306 2 606 . 2 2 57 57 MET HE1 H 1 1.901 0.001 . 1 . . . . . . . . 5306 2 607 . 2 2 57 57 MET HE2 H 1 1.901 0.001 . 1 . . . . . . . . 5306 2 608 . 2 2 57 57 MET HE3 H 1 1.901 0.001 . 1 . . . . . . . . 5306 2 609 . 2 2 57 57 MET CE C 13 16.128 0.000 . . . . . . . . . . 5306 2 610 . 2 2 57 57 MET C C 13 178.877 0.004 . . . . . . . . . . 5306 2 611 . 2 2 58 58 THR N N 15 109.537 0.000 . . . . . . . . . . 5306 2 612 . 2 2 58 58 THR H H 1 8.535 0.001 . . . . . . . . . . 5306 2 613 . 2 2 58 58 THR CA C 13 64.878 0.000 . . . . . . . . . . 5306 2 614 . 2 2 58 58 THR HA H 1 3.685 0.002 . . . . . . . . . . 5306 2 615 . 2 2 58 58 THR CB C 13 68.628 0.000 . . . . . . . . . . 5306 2 616 . 2 2 58 58 THR HB H 1 3.999 0.001 . . . . . . . . . . 5306 2 617 . 2 2 58 58 THR HG21 H 1 1.160 0.002 . 1 . . . . . . . . 5306 2 618 . 2 2 58 58 THR HG22 H 1 1.160 0.002 . 1 . . . . . . . . 5306 2 619 . 2 2 58 58 THR HG23 H 1 1.160 0.002 . 1 . . . . . . . . 5306 2 620 . 2 2 58 58 THR CG2 C 13 21.441 0.000 . . . . . . . . . . 5306 2 621 . 2 2 58 58 THR C C 13 174.069 0.000 . . . . . . . . . . 5306 2 622 . 2 2 59 59 HIS N N 15 115.443 0.000 . . . . . . . . . . 5306 2 623 . 2 2 59 59 HIS H H 1 7.405 0.000 . . . . . . . . . . 5306 2 624 . 2 2 59 59 HIS CA C 13 54.878 0.000 . . . . . . . . . . 5306 2 625 . 2 2 59 59 HIS HA H 1 4.802 0.002 . . . . . . . . . . 5306 2 626 . 2 2 59 59 HIS CB C 13 29.253 0.000 . . . . . . . . . . 5306 2 627 . 2 2 59 59 HIS HB2 H 1 3.474 0.001 . . . . . . . . . . 5306 2 628 . 2 2 59 59 HIS HB3 H 1 3.024 0.001 . . . . . . . . . . 5306 2 629 . 2 2 59 59 HIS C C 13 172.977 0.005 . . . . . . . . . . 5306 2 630 . 2 2 60 60 CYS N N 15 123.768 0.031 . . . . . . . . . . 5306 2 631 . 2 2 60 60 CYS H H 1 6.990 0.001 . . . . . . . . . . 5306 2 632 . 2 2 60 60 CYS CA C 13 60.191 0.000 . . . . . . . . . . 5306 2 633 . 2 2 60 60 CYS HA H 1 4.100 0.001 . . . . . . . . . . 5306 2 634 . 2 2 60 60 CYS CB C 13 29.878 0.000 . . . . . . . . . . 5306 2 635 . 2 2 60 60 CYS HB2 H 1 2.506 0.002 . . . . . . . . . . 5306 2 636 . 2 2 60 60 CYS HB3 H 1 1.958 0.002 . . . . . . . . . . 5306 2 637 . 2 2 60 60 CYS C C 13 176.715 0.031 . . . . . . . . . . 5306 2 638 . 2 2 61 61 GLN N N 15 129.005 0.000 . . . . . . . . . . 5306 2 639 . 2 2 61 61 GLN H H 1 9.114 0.005 . . . . . . . . . . 5306 2 640 . 2 2 61 61 GLN CA C 13 55.191 0.000 . . . . . . . . . . 5306 2 641 . 2 2 61 61 GLN HA H 1 4.768 0.000 . . . . . . . . . . 5306 2 642 . 2 2 61 61 GLN CB C 13 29.253 0.000 . . . . . . . . . . 5306 2 643 . 2 2 61 61 GLN HB2 H 1 2.467 0.001 . . . . . . . . . . 5306 2 644 . 2 2 61 61 GLN HB3 H 1 1.895 0.000 . . . . . . . . . . 5306 2 645 . 2 2 61 61 GLN CG C 13 33.628 0.000 . . . . . . . . . . 5306 2 646 . 2 2 61 61 GLN HG2 H 1 2.406 0.001 . . . . . . . . . . 5306 2 647 . 2 2 61 61 GLN HG3 H 1 2.367 0.001 . . . . . . . . . . 5306 2 648 . 2 2 61 61 GLN C C 13 176.677 0.007 . . . . . . . . . . 5306 2 649 . 2 2 62 62 SER N N 15 118.731 0.024 . . . . . . . . . . 5306 2 650 . 2 2 62 62 SER H H 1 8.843 0.002 . . . . . . . . . . 5306 2 651 . 2 2 62 62 SER CA C 13 59.878 0.000 . . . . . . . . . . 5306 2 652 . 2 2 62 62 SER HA H 1 4.493 0.000 . . . . . . . . . . 5306 2 653 . 2 2 62 62 SER CB C 13 63.003 0.000 . . . . . . . . . . 5306 2 654 . 2 2 62 62 SER HB2 H 1 3.833 0.001 . . . . . . . . . . 5306 2 655 . 2 2 62 62 SER HB3 H 1 3.768 0.002 . . . . . . . . . . 5306 2 656 . 2 2 62 62 SER C C 13 174.403 0.000 . . . . . . . . . . 5306 2 657 . 2 2 63 63 GLY N N 15 109.537 0.000 . . . . . . . . . . 5306 2 658 . 2 2 63 63 GLY H H 1 8.200 0.003 . . . . . . . . . . 5306 2 659 . 2 2 63 63 GLY CA C 13 46.128 0.000 . . . . . . . . . . 5306 2 660 . 2 2 63 63 GLY HA2 H 1 3.941 0.000 . . . . . . . . . . 5306 2 661 . 2 2 63 63 GLY HA3 H 1 3.529 0.002 . . . . . . . . . . 5306 2 662 . 2 2 63 63 GLY C C 13 176.286 0.000 . . . . . . . . . . 5306 2 663 . 2 2 64 64 LYS N N 15 125.505 0.000 . . . . . . . . . . 5306 2 664 . 2 2 64 64 LYS H H 1 9.070 0.003 . . . . . . . . . . 5306 2 665 . 2 2 64 64 LYS CA C 13 58.628 0.000 . . . . . . . . . . 5306 2 666 . 2 2 64 64 LYS HA H 1 4.125 0.005 . . . . . . . . . . 5306 2 667 . 2 2 64 64 LYS CB C 13 31.753 0.000 . . . . . . . . . . 5306 2 668 . 2 2 64 64 LYS CG C 13 24.878 0.000 . . . . . . . . . . 5306 2 669 . 2 2 64 64 LYS CD C 13 29.253 0.000 . . . . . . . . . . 5306 2 670 . 2 2 64 64 LYS CE C 13 41.753 0.000 . . . . . . . . . . 5306 2 671 . 2 2 64 64 LYS C C 13 176.402 0.010 . . . . . . . . . . 5306 2 672 . 2 2 65 65 SER N N 15 112.378 0.006 . . . . . . . . . . 5306 2 673 . 2 2 65 65 SER H H 1 7.819 0.002 . . . . . . . . . . 5306 2 674 . 2 2 65 65 SER CA C 13 58.003 0.000 . . . . . . . . . . 5306 2 675 . 2 2 65 65 SER HA H 1 4.455 0.000 . . . . . . . . . . 5306 2 676 . 2 2 65 65 SER CB C 13 63.003 0.000 . . . . . . . . . . 5306 2 677 . 2 2 65 65 SER C C 13 173.713 0.000 . . . . . . . . . . 5306 2 678 . 2 2 66 66 CYS N N 15 124.190 0.007 . . . . . . . . . . 5306 2 679 . 2 2 66 66 CYS H H 1 7.363 0.003 . . . . . . . . . . 5306 2 680 . 2 2 66 66 CYS CA C 13 62.066 0.000 . . . . . . . . . . 5306 2 681 . 2 2 66 66 CYS HA H 1 3.917 0.000 . . . . . . . . . . 5306 2 682 . 2 2 66 66 CYS CB C 13 29.566 0.000 . . . . . . . . . . 5306 2 683 . 2 2 66 66 CYS HB2 H 1 2.819 0.001 . . . . . . . . . . 5306 2 684 . 2 2 66 66 CYS HB3 H 1 2.705 0.001 . . . . . . . . . . 5306 2 685 . 2 2 66 66 CYS C C 13 177.306 0.015 . . . . . . . . . . 5306 2 686 . 2 2 67 67 GLN N N 15 129.878 0.006 . . . . . . . . . . 5306 2 687 . 2 2 67 67 GLN H H 1 9.156 0.004 . . . . . . . . . . 5306 2 688 . 2 2 67 67 GLN CA C 13 55.191 0.000 . . . . . . . . . . 5306 2 689 . 2 2 67 67 GLN HA H 1 4.442 0.001 . . . . . . . . . . 5306 2 690 . 2 2 67 67 GLN CB C 13 28.941 0.000 . . . . . . . . . . 5306 2 691 . 2 2 67 67 GLN HB2 H 1 2.475 0.000 . . . . . . . . . . 5306 2 692 . 2 2 67 67 GLN CG C 13 33.941 0.000 . . . . . . . . . . 5306 2 693 . 2 2 67 67 GLN HG2 H 1 2.471 0.001 . . . . . . . . . . 5306 2 694 . 2 2 67 67 GLN HG3 H 1 2.403 0.000 . . . . . . . . . . 5306 2 695 . 2 2 67 67 GLN C C 13 176.275 0.010 . . . . . . . . . . 5306 2 696 . 2 2 68 68 VAL N N 15 127.693 0.000 . . . . . . . . . . 5306 2 697 . 2 2 68 68 VAL H H 1 9.260 0.001 . . . . . . . . . . 5306 2 698 . 2 2 68 68 VAL CA C 13 64.253 0.000 . . . . . . . . . . 5306 2 699 . 2 2 68 68 VAL HA H 1 3.593 0.000 . . . . . . . . . . 5306 2 700 . 2 2 68 68 VAL CB C 13 30.816 0.000 . . . . . . . . . . 5306 2 701 . 2 2 68 68 VAL HB H 1 1.860 0.003 . . . . . . . . . . 5306 2 702 . 2 2 68 68 VAL HG11 H 1 0.421 0.003 . 1 . . . . . . . . 5306 2 703 . 2 2 68 68 VAL HG12 H 1 0.421 0.003 . 1 . . . . . . . . 5306 2 704 . 2 2 68 68 VAL HG13 H 1 0.421 0.003 . 1 . . . . . . . . 5306 2 705 . 2 2 68 68 VAL HG21 H 1 0.558 0.001 . 1 . . . . . . . . 5306 2 706 . 2 2 68 68 VAL HG22 H 1 0.558 0.001 . 1 . . . . . . . . 5306 2 707 . 2 2 68 68 VAL HG23 H 1 0.558 0.001 . 1 . . . . . . . . 5306 2 708 . 2 2 68 68 VAL CG1 C 13 19.878 0.000 . . . . . . . . . . 5306 2 709 . 2 2 68 68 VAL CG2 C 13 22.378 0.000 . . . . . . . . . . 5306 2 710 . 2 2 68 68 VAL C C 13 177.070 0.010 . . . . . . . . . . 5306 2 711 . 2 2 69 69 ALA N N 15 106.265 0.028 . . . . . . . . . . 5306 2 712 . 2 2 69 69 ALA H H 1 8.650 0.003 . . . . . . . . . . 5306 2 713 . 2 2 69 69 ALA CA C 13 53.941 0.000 . . . . . . . . . . 5306 2 714 . 2 2 69 69 ALA HA H 1 3.687 0.000 . . . . . . . . . . 5306 2 715 . 2 2 69 69 ALA HB1 H 1 0.881 0.001 . 1 . . . . . . . . 5306 2 716 . 2 2 69 69 ALA HB2 H 1 0.881 0.001 . 1 . . . . . . . . 5306 2 717 . 2 2 69 69 ALA HB3 H 1 0.881 0.001 . 1 . . . . . . . . 5306 2 718 . 2 2 69 69 ALA CB C 13 17.378 0.000 . . . . . . . . . . 5306 2 719 . 2 2 69 69 ALA C C 13 177.207 0.042 . . . . . . . . . . 5306 2 720 . 2 2 70 70 HIS N N 15 110.206 0.031 . . . . . . . . . . 5306 2 721 . 2 2 70 70 HIS H H 1 8.005 0.000 . . . . . . . . . . 5306 2 722 . 2 2 70 70 HIS CA C 13 57.066 0.000 . . . . . . . . . . 5306 2 723 . 2 2 70 70 HIS HA H 1 4.414 0.003 . . . . . . . . . . 5306 2 724 . 2 2 70 70 HIS CB C 13 29.253 0.000 . . . . . . . . . . 5306 2 725 . 2 2 70 70 HIS HB2 H 1 3.676 0.002 . . . . . . . . . . 5306 2 726 . 2 2 70 70 HIS HB3 H 1 2.847 0.001 . . . . . . . . . . 5306 2 727 . 2 2 70 70 HIS HD2 H 1 6.530 0.001 . . . . . . . . . . 5306 2 728 . 2 2 70 70 HIS HE1 H 1 7.447 0.002 . . . . . . . . . . 5306 2 729 . 2 2 70 70 HIS C C 13 175.921 0.010 . . . . . . . . . . 5306 2 730 . 2 2 71 71 CYS N N 15 126.817 0.005 . . . . . . . . . . 5306 2 731 . 2 2 71 71 CYS H H 1 8.061 0.000 . . . . . . . . . . 5306 2 732 . 2 2 71 71 CYS CA C 13 63.628 0.000 . . . . . . . . . . 5306 2 733 . 2 2 71 71 CYS HA H 1 4.183 0.005 . . . . . . . . . . 5306 2 734 . 2 2 71 71 CYS CB C 13 29.878 0.000 . . . . . . . . . . 5306 2 735 . 2 2 71 71 CYS HB2 H 1 3.315 0.002 . . . . . . . . . . 5306 2 736 . 2 2 71 71 CYS HB3 H 1 2.541 0.006 . . . . . . . . . . 5306 2 737 . 2 2 71 71 CYS C C 13 175.157 0.000 . . . . . . . . . . 5306 2 738 . 2 2 72 72 ALA N N 15 119.161 0.005 . . . . . . . . . . 5306 2 739 . 2 2 72 72 ALA H H 1 8.802 0.004 . . . . . . . . . . 5306 2 740 . 2 2 72 72 ALA CA C 13 55.191 0.000 . . . . . . . . . . 5306 2 741 . 2 2 72 72 ALA HA H 1 4.320 0.005 . . . . . . . . . . 5306 2 742 . 2 2 72 72 ALA HB1 H 1 1.510 0.001 . 1 . . . . . . . . 5306 2 743 . 2 2 72 72 ALA HB2 H 1 1.510 0.001 . 1 . . . . . . . . 5306 2 744 . 2 2 72 72 ALA HB3 H 1 1.510 0.001 . 1 . . . . . . . . 5306 2 745 . 2 2 72 72 ALA CB C 13 17.691 0.000 . . . . . . . . . . 5306 2 746 . 2 2 72 72 ALA C C 13 182.150 0.015 . . . . . . . . . . 5306 2 747 . 2 2 73 73 SER N N 15 114.566 0.007 . . . . . . . . . . 5306 2 748 . 2 2 73 73 SER H H 1 9.082 0.002 . . . . . . . . . . 5306 2 749 . 2 2 73 73 SER CA C 13 59.878 0.000 . . . . . . . . . . 5306 2 750 . 2 2 73 73 SER HA H 1 4.068 0.008 . . . . . . . . . . 5306 2 751 . 2 2 73 73 SER CB C 13 61.753 0.000 . . . . . . . . . . 5306 2 752 . 2 2 73 73 SER C C 13 176.872 0.000 . . . . . . . . . . 5306 2 753 . 2 2 74 74 SER N N 15 120.255 0.000 . . . . . . . . . . 5306 2 754 . 2 2 74 74 SER H H 1 7.748 0.000 . . . . . . . . . . 5306 2 755 . 2 2 74 74 SER CA C 13 63.628 0.000 . . . . . . . . . . 5306 2 756 . 2 2 74 74 SER HA H 1 3.971 0.008 . . . . . . . . . . 5306 2 757 . 2 2 74 74 SER CB C 13 62.378 0.000 . . . . . . . . . . 5306 2 758 . 2 2 74 74 SER HB2 H 1 4.627 0.001 . . . . . . . . . . 5306 2 759 . 2 2 74 74 SER HB3 H 1 3.535 0.001 . . . . . . . . . . 5306 2 760 . 2 2 74 74 SER C C 13 175.115 0.000 . . . . . . . . . . 5306 2 761 . 2 2 75 75 ARG N N 15 123.972 0.006 . . . . . . . . . . 5306 2 762 . 2 2 75 75 ARG H H 1 8.996 0.002 . . . . . . . . . . 5306 2 763 . 2 2 75 75 ARG CA C 13 60.503 0.000 . . . . . . . . . . 5306 2 764 . 2 2 75 75 ARG HA H 1 3.692 0.003 . . . . . . . . . . 5306 2 765 . 2 2 75 75 ARG CB C 13 30.503 0.000 . . . . . . . . . . 5306 2 766 . 2 2 75 75 ARG HB2 H 1 2.124 0.003 . . . . . . . . . . 5306 2 767 . 2 2 75 75 ARG HB3 H 1 1.903 0.001 . . . . . . . . . . 5306 2 768 . 2 2 75 75 ARG CG C 13 27.671 0.000 . . . . . . . . . . 5306 2 769 . 2 2 75 75 ARG CD C 13 43.003 0.000 . . . . . . . . . . 5306 2 770 . 2 2 75 75 ARG HD2 H 1 3.526 0.001 . . . . . . . . . . 5306 2 771 . 2 2 75 75 ARG HD3 H 1 3.078 0.004 . . . . . . . . . . 5306 2 772 . 2 2 75 75 ARG NE N 15 110.412 0.000 . . . . . . . . . . 5306 2 773 . 2 2 75 75 ARG HE H 1 8.754 0.000 . . . . . . . . . . 5306 2 774 . 2 2 75 75 ARG C C 13 180.568 0.013 . . . . . . . . . . 5306 2 775 . 2 2 76 76 GLN N N 15 122.003 0.006 . . . . . . . . . . 5306 2 776 . 2 2 76 76 GLN H H 1 8.217 0.004 . . . . . . . . . . 5306 2 777 . 2 2 76 76 GLN CA C 13 58.941 0.000 . . . . . . . . . . 5306 2 778 . 2 2 76 76 GLN HA H 1 3.862 0.000 . . . . . . . . . . 5306 2 779 . 2 2 76 76 GLN CB C 13 26.851 0.000 . . . . . . . . . . 5306 2 780 . 2 2 76 76 GLN HB2 H 1 2.429 0.003 . . . . . . . . . . 5306 2 781 . 2 2 76 76 GLN HB3 H 1 2.411 0.003 . . . . . . . . . . 5306 2 782 . 2 2 76 76 GLN CG C 13 33.941 0.000 . . . . . . . . . . 5306 2 783 . 2 2 76 76 GLN C C 13 177.789 0.004 . . . . . . . . . . 5306 2 784 . 2 2 77 77 ILE N N 15 120.918 0.022 . . . . . . . . . . 5306 2 785 . 2 2 77 77 ILE H H 1 8.700 0.003 . . . . . . . . . . 5306 2 786 . 2 2 77 77 ILE CA C 13 66.753 0.000 . . . . . . . . . . 5306 2 787 . 2 2 77 77 ILE HA H 1 3.535 0.001 . . . . . . . . . . 5306 2 788 . 2 2 77 77 ILE CB C 13 38.628 0.000 . . . . . . . . . . 5306 2 789 . 2 2 77 77 ILE HB H 1 1.788 0.004 . . . . . . . . . . 5306 2 790 . 2 2 77 77 ILE HG21 H 1 0.828 0.002 . 1 . . . . . . . . 5306 2 791 . 2 2 77 77 ILE HG22 H 1 0.828 0.002 . 1 . . . . . . . . 5306 2 792 . 2 2 77 77 ILE HG23 H 1 0.828 0.002 . 1 . . . . . . . . 5306 2 793 . 2 2 77 77 ILE CG2 C 13 18.316 0.000 . . . . . . . . . . 5306 2 794 . 2 2 77 77 ILE CG1 C 13 28.941 0.000 . . . . . . . . . . 5306 2 795 . 2 2 77 77 ILE HD11 H 1 0.785 0.003 . 1 . . . . . . . . 5306 2 796 . 2 2 77 77 ILE HD12 H 1 0.785 0.003 . 1 . . . . . . . . 5306 2 797 . 2 2 77 77 ILE HD13 H 1 0.785 0.003 . 1 . . . . . . . . 5306 2 798 . 2 2 77 77 ILE CD1 C 13 13.941 0.000 . . . . . . . . . . 5306 2 799 . 2 2 77 77 ILE C C 13 177.814 0.000 . . . . . . . . . . 5306 2 800 . 2 2 78 78 ILE N N 15 119.816 0.006 . . . . . . . . . . 5306 2 801 . 2 2 78 78 ILE H H 1 8.968 0.002 . . . . . . . . . . 5306 2 802 . 2 2 78 78 ILE CA C 13 65.503 0.000 . . . . . . . . . . 5306 2 803 . 2 2 78 78 ILE HA H 1 3.660 0.001 . . . . . . . . . . 5306 2 804 . 2 2 78 78 ILE CB C 13 37.691 0.000 . . . . . . . . . . 5306 2 805 . 2 2 78 78 ILE HB H 1 1.666 0.002 . . . . . . . . . . 5306 2 806 . 2 2 78 78 ILE HG21 H 1 0.996 0.001 . 1 . . . . . . . . 5306 2 807 . 2 2 78 78 ILE HG22 H 1 0.996 0.001 . 1 . . . . . . . . 5306 2 808 . 2 2 78 78 ILE HG23 H 1 0.996 0.001 . 1 . . . . . . . . 5306 2 809 . 2 2 78 78 ILE CG2 C 13 18.941 0.000 . . . . . . . . . . 5306 2 810 . 2 2 78 78 ILE CG1 C 13 29.566 0.000 . . . . . . . . . . 5306 2 811 . 2 2 78 78 ILE HD11 H 1 0.783 0.001 . 1 . . . . . . . . 5306 2 812 . 2 2 78 78 ILE HD12 H 1 0.783 0.001 . 1 . . . . . . . . 5306 2 813 . 2 2 78 78 ILE HD13 H 1 0.783 0.001 . 1 . . . . . . . . 5306 2 814 . 2 2 78 78 ILE CD1 C 13 14.566 0.000 . . . . . . . . . . 5306 2 815 . 2 2 78 78 ILE C C 13 177.594 0.031 . . . . . . . . . . 5306 2 816 . 2 2 79 79 SER N N 15 114.796 0.026 . . . . . . . . . . 5306 2 817 . 2 2 79 79 SER H H 1 7.798 0.002 . . . . . . . . . . 5306 2 818 . 2 2 79 79 SER CA C 13 63.003 0.000 . . . . . . . . . . 5306 2 819 . 2 2 79 79 SER HA H 1 4.231 0.001 . . . . . . . . . . 5306 2 820 . 2 2 79 79 SER CB C 13 63.003 0.000 . . . . . . . . . . 5306 2 821 . 2 2 79 79 SER HB2 H 1 4.147 0.002 . . . . . . . . . . 5306 2 822 . 2 2 79 79 SER HB3 H 1 4.027 0.001 . . . . . . . . . . 5306 2 823 . 2 2 79 79 SER C C 13 176.035 0.000 . . . . . . . . . . 5306 2 824 . 2 2 80 80 HIS N N 15 121.786 0.002 . . . . . . . . . . 5306 2 825 . 2 2 80 80 HIS H H 1 8.555 0.006 . . . . . . . . . . 5306 2 826 . 2 2 80 80 HIS CA C 13 60.503 0.000 . . . . . . . . . . 5306 2 827 . 2 2 80 80 HIS HA H 1 3.980 0.006 . . . . . . . . . . 5306 2 828 . 2 2 80 80 HIS CB C 13 27.066 0.000 . . . . . . . . . . 5306 2 829 . 2 2 80 80 HIS HB2 H 1 3.587 0.004 . . . . . . . . . . 5306 2 830 . 2 2 80 80 HIS HB3 H 1 3.203 0.003 . . . . . . . . . . 5306 2 831 . 2 2 80 80 HIS HD2 H 1 6.662 0.001 . . . . . . . . . . 5306 2 832 . 2 2 80 80 HIS HE1 H 1 8.091 0.001 . . . . . . . . . . 5306 2 833 . 2 2 80 80 HIS C C 13 175.701 0.000 . . . . . . . . . . 5306 2 834 . 2 2 81 81 TRP N N 15 121.568 0.000 . . . . . . . . . . 5306 2 835 . 2 2 81 81 TRP H H 1 8.512 0.004 . . . . . . . . . . 5306 2 836 . 2 2 81 81 TRP CA C 13 59.878 0.000 . . . . . . . . . . 5306 2 837 . 2 2 81 81 TRP HA H 1 4.461 0.002 . . . . . . . . . . 5306 2 838 . 2 2 81 81 TRP CB C 13 29.566 0.000 . . . . . . . . . . 5306 2 839 . 2 2 81 81 TRP HB2 H 1 3.602 0.009 . . . . . . . . . . 5306 2 840 . 2 2 81 81 TRP HB3 H 1 3.395 0.004 . . . . . . . . . . 5306 2 841 . 2 2 81 81 TRP NE1 N 15 128.568 0.000 . . . . . . . . . . 5306 2 842 . 2 2 81 81 TRP HD1 H 1 7.051 0.002 . . . . . . . . . . 5306 2 843 . 2 2 81 81 TRP HE3 H 1 8.188 0.002 . . . . . . . . . . 5306 2 844 . 2 2 81 81 TRP HE1 H 1 9.900 0.006 . . . . . . . . . . 5306 2 845 . 2 2 81 81 TRP HZ3 H 1 7.038 0.001 . . . . . . . . . . 5306 2 846 . 2 2 81 81 TRP HZ2 H 1 7.461 0.001 . . . . . . . . . . 5306 2 847 . 2 2 81 81 TRP HH2 H 1 7.046 0.002 . . . . . . . . . . 5306 2 848 . 2 2 81 81 TRP C C 13 177.625 0.000 . . . . . . . . . . 5306 2 849 . 2 2 82 82 LYS N N 15 116.755 0.000 . . . . . . . . . . 5306 2 850 . 2 2 82 82 LYS H H 1 8.363 0.004 . . . . . . . . . . 5306 2 851 . 2 2 82 82 LYS CA C 13 57.691 0.000 . . . . . . . . . . 5306 2 852 . 2 2 82 82 LYS HA H 1 3.765 0.000 . . . . . . . . . . 5306 2 853 . 2 2 82 82 LYS CB C 13 32.378 0.000 . . . . . . . . . . 5306 2 854 . 2 2 82 82 LYS CG C 13 29.983 8.544 . . . . . . . . . . 5306 2 855 . 2 2 82 82 LYS CD C 13 28.628 0.000 . . . . . . . . . . 5306 2 856 . 2 2 82 82 LYS HD2 H 1 1.505 0.000 . . . . . . . . . . 5306 2 857 . 2 2 82 82 LYS HD3 H 1 1.463 0.000 . . . . . . . . . . 5306 2 858 . 2 2 82 82 LYS CE C 13 42.066 0.000 . . . . . . . . . . 5306 2 859 . 2 2 82 82 LYS C C 13 176.632 0.031 . . . . . . . . . . 5306 2 860 . 2 2 83 83 ASN N N 15 112.825 0.024 . . . . . . . . . . 5306 2 861 . 2 2 83 83 ASN H H 1 6.896 0.002 . . . . . . . . . . 5306 2 862 . 2 2 83 83 ASN CA C 13 53.316 0.000 . . . . . . . . . . 5306 2 863 . 2 2 83 83 ASN HA H 1 4.556 0.000 . . . . . . . . . . 5306 2 864 . 2 2 83 83 ASN CB C 13 41.441 0.000 . . . . . . . . . . 5306 2 865 . 2 2 83 83 ASN HB2 H 1 2.795 0.003 . . . . . . . . . . 5306 2 866 . 2 2 83 83 ASN HB3 H 1 2.541 0.002 . . . . . . . . . . 5306 2 867 . 2 2 83 83 ASN ND2 N 15 114.568 0.000 . . . . . . . . . . 5306 2 868 . 2 2 83 83 ASN HD21 H 1 7.535 0.001 . . . . . . . . . . 5306 2 869 . 2 2 83 83 ASN HD22 H 1 7.348 0.003 . . . . . . . . . . 5306 2 870 . 2 2 83 83 ASN C C 13 173.378 0.021 . . . . . . . . . . 5306 2 871 . 2 2 84 84 CYS N N 15 123.096 0.007 . . . . . . . . . . 5306 2 872 . 2 2 84 84 CYS H H 1 7.321 0.002 . . . . . . . . . . 5306 2 873 . 2 2 84 84 CYS CA C 13 60.816 0.000 . . . . . . . . . . 5306 2 874 . 2 2 84 84 CYS HA H 1 3.991 0.000 . . . . . . . . . . 5306 2 875 . 2 2 84 84 CYS CB C 13 28.316 0.000 . . . . . . . . . . 5306 2 876 . 2 2 84 84 CYS HB2 H 1 2.793 0.002 . . . . . . . . . . 5306 2 877 . 2 2 84 84 CYS HB3 H 1 1.911 0.002 . . . . . . . . . . 5306 2 878 . 2 2 84 84 CYS C C 13 176.379 0.009 . . . . . . . . . . 5306 2 879 . 2 2 85 85 THR N N 15 118.956 0.031 . . . . . . . . . . 5306 2 880 . 2 2 85 85 THR H H 1 8.437 0.003 . . . . . . . . . . 5306 2 881 . 2 2 85 85 THR CA C 13 60.503 0.000 . . . . . . . . . . 5306 2 882 . 2 2 85 85 THR HA H 1 4.507 0.004 . . . . . . . . . . 5306 2 883 . 2 2 85 85 THR CB C 13 69.253 0.000 . . . . . . . . . . 5306 2 884 . 2 2 85 85 THR HB H 1 4.507 0.001 . . . . . . . . . . 5306 2 885 . 2 2 85 85 THR HG21 H 1 1.079 0.000 . 1 . . . . . . . . 5306 2 886 . 2 2 85 85 THR HG22 H 1 1.079 0.000 . 1 . . . . . . . . 5306 2 887 . 2 2 85 85 THR HG23 H 1 1.079 0.000 . 1 . . . . . . . . 5306 2 888 . 2 2 85 85 THR CG2 C 13 21.128 0.000 . . . . . . . . . . 5306 2 889 . 2 2 86 86 ARG N N 15 112.818 0.000 . . . . . . . . . . 5306 2 890 . 2 2 86 86 ARG H H 1 8.404 0.001 . . . . . . . . . . 5306 2 891 . 2 2 86 86 ARG HA H 1 4.003 0.000 . . . . . . . . . . 5306 2 892 . 2 2 87 87 HIS CA C 13 57.691 0.000 . . . . . . . . . . 5306 2 893 . 2 2 87 87 HIS HA H 1 4.401 0.000 . . . . . . . . . . 5306 2 894 . 2 2 87 87 HIS CB C 13 28.628 0.000 . . . . . . . . . . 5306 2 895 . 2 2 87 87 HIS C C 13 174.634 0.000 . . . . . . . . . . 5306 2 896 . 2 2 88 88 ASP N N 15 116.537 0.000 . . . . . . . . . . 5306 2 897 . 2 2 88 88 ASP H H 1 8.208 0.004 . . . . . . . . . . 5306 2 898 . 2 2 88 88 ASP CA C 13 51.441 0.000 . . . . . . . . . . 5306 2 899 . 2 2 88 88 ASP HA H 1 4.521 0.000 . . . . . . . . . . 5306 2 900 . 2 2 88 88 ASP CB C 13 39.253 0.000 . . . . . . . . . . 5306 2 901 . 2 2 88 88 ASP HB2 H 1 2.828 0.001 . . . . . . . . . . 5306 2 902 . 2 2 88 88 ASP HB3 H 1 2.361 0.002 . . . . . . . . . . 5306 2 903 . 2 2 88 88 ASP C C 13 175.240 0.021 . . . . . . . . . . 5306 2 904 . 2 2 89 89 CYS N N 15 122.453 0.028 . . . . . . . . . . 5306 2 905 . 2 2 89 89 CYS H H 1 7.078 0.001 . . . . . . . . . . 5306 2 906 . 2 2 89 89 CYS CA C 13 57.378 0.000 . . . . . . . . . . 5306 2 907 . 2 2 89 89 CYS HA H 1 4.311 0.001 . . . . . . . . . . 5306 2 908 . 2 2 89 89 CYS CB C 13 30.503 0.000 . . . . . . . . . . 5306 2 909 . 2 2 89 89 CYS C C 13 174.529 0.000 . . . . . . . . . . 5306 2 910 . 2 2 90 90 PRO CD C 13 50.816 0.000 . . . . . . . . . . 5306 2 911 . 2 2 90 90 PRO CA C 13 63.628 0.000 . . . . . . . . . . 5306 2 912 . 2 2 90 90 PRO HA H 1 4.439 0.007 . . . . . . . . . . 5306 2 913 . 2 2 90 90 PRO CB C 13 32.378 0.000 . . . . . . . . . . 5306 2 914 . 2 2 90 90 PRO HB2 H 1 2.335 0.014 . . . . . . . . . . 5306 2 915 . 2 2 90 90 PRO HB3 H 1 1.869 0.017 . . . . . . . . . . 5306 2 916 . 2 2 90 90 PRO CG C 13 27.066 0.000 . . . . . . . . . . 5306 2 917 . 2 2 90 90 PRO HG2 H 1 2.098 0.008 . . . . . . . . . . 5306 2 918 . 2 2 90 90 PRO HG3 H 1 1.961 0.012 . . . . . . . . . . 5306 2 919 . 2 2 90 90 PRO C C 13 177.814 0.000 . . . . . . . . . . 5306 2 920 . 2 2 91 91 VAL N N 15 120.474 0.000 . . . . . . . . . . 5306 2 921 . 2 2 91 91 VAL H H 1 8.571 0.000 . . . . . . . . . . 5306 2 922 . 2 2 91 91 VAL CA C 13 66.128 0.000 . . . . . . . . . . 5306 2 923 . 2 2 91 91 VAL HA H 1 3.730 0.001 . . . . . . . . . . 5306 2 924 . 2 2 91 91 VAL CB C 13 33.003 0.000 . . . . . . . . . . 5306 2 925 . 2 2 91 91 VAL HB H 1 2.229 0.002 . . . . . . . . . . 5306 2 926 . 2 2 91 91 VAL HG11 H 1 0.848 0.006 . 1 . . . . . . . . 5306 2 927 . 2 2 91 91 VAL HG12 H 1 0.848 0.006 . 1 . . . . . . . . 5306 2 928 . 2 2 91 91 VAL HG13 H 1 0.848 0.006 . 1 . . . . . . . . 5306 2 929 . 2 2 91 91 VAL HG21 H 1 0.864 0.001 . 1 . . . . . . . . 5306 2 930 . 2 2 91 91 VAL HG22 H 1 0.864 0.001 . 1 . . . . . . . . 5306 2 931 . 2 2 91 91 VAL HG23 H 1 0.864 0.001 . 1 . . . . . . . . 5306 2 932 . 2 2 91 91 VAL CG1 C 13 22.066 0.000 . . . . . . . . . . 5306 2 933 . 2 2 91 91 VAL CG2 C 13 21.441 0.000 . . . . . . . . . . 5306 2 934 . 2 2 91 91 VAL C C 13 176.537 0.000 . . . . . . . . . . 5306 2 935 . 2 2 92 92 CYS N N 15 118.283 0.014 . . . . . . . . . . 5306 2 936 . 2 2 92 92 CYS H H 1 8.379 0.001 . . . . . . . . . . 5306 2 937 . 2 2 92 92 CYS CA C 13 63.316 0.000 . . . . . . . . . . 5306 2 938 . 2 2 92 92 CYS HA H 1 4.234 0.004 . . . . . . . . . . 5306 2 939 . 2 2 92 92 CYS CB C 13 31.128 0.000 . . . . . . . . . . 5306 2 940 . 2 2 92 92 CYS HB2 H 1 3.142 0.069 . . . . . . . . . . 5306 2 941 . 2 2 92 92 CYS HB3 H 1 2.926 0.001 . . . . . . . . . . 5306 2 942 . 2 2 92 92 CYS C C 13 177.779 0.007 . . . . . . . . . . 5306 2 943 . 2 2 93 93 LEU N N 15 119.599 0.000 . . . . . . . . . . 5306 2 944 . 2 2 93 93 LEU H H 1 7.867 0.003 . . . . . . . . . . 5306 2 945 . 2 2 93 93 LEU CA C 13 59.566 0.000 . . . . . . . . . . 5306 2 946 . 2 2 93 93 LEU HA H 1 4.227 0.000 . . . . . . . . . . 5306 2 947 . 2 2 93 93 LEU CB C 13 39.253 0.000 . . . . . . . . . . 5306 2 948 . 2 2 93 93 LEU HB2 H 1 1.804 0.000 . . . . . . . . . . 5306 2 949 . 2 2 93 93 LEU HB3 H 1 1.714 0.005 . . . . . . . . . . 5306 2 950 . 2 2 93 93 LEU CG C 13 27.066 0.000 . . . . . . . . . . 5306 2 951 . 2 2 93 93 LEU HG H 1 1.591 0.000 . . . . . . . . . . 5306 2 952 . 2 2 93 93 LEU HD11 H 1 0.852 0.000 . 1 . . . . . . . . 5306 2 953 . 2 2 93 93 LEU HD12 H 1 0.852 0.000 . 1 . . . . . . . . 5306 2 954 . 2 2 93 93 LEU HD13 H 1 0.852 0.000 . 1 . . . . . . . . 5306 2 955 . 2 2 93 93 LEU HD21 H 1 0.867 0.000 . 1 . . . . . . . . 5306 2 956 . 2 2 93 93 LEU HD22 H 1 0.867 0.000 . 1 . . . . . . . . 5306 2 957 . 2 2 93 93 LEU HD23 H 1 0.867 0.000 . 1 . . . . . . . . 5306 2 958 . 2 2 93 93 LEU CD1 C 13 23.941 0.000 . . . . . . . . . . 5306 2 959 . 2 2 93 93 LEU CD2 C 13 24.878 0.000 . . . . . . . . . . 5306 2 960 . 2 2 93 93 LEU C C 13 176.077 0.000 . . . . . . . . . . 5306 2 961 . 2 2 94 94 PRO CD C 13 49.878 0.000 . . . . . . . . . . 5306 2 962 . 2 2 94 94 PRO CA C 13 64.878 0.000 . . . . . . . . . . 5306 2 963 . 2 2 94 94 PRO HA H 1 4.430 0.000 . . . . . . . . . . 5306 2 964 . 2 2 94 94 PRO CB C 13 31.128 0.000 . . . . . . . . . . 5306 2 965 . 2 2 94 94 PRO HB2 H 1 2.347 0.001 . . . . . . . . . . 5306 2 966 . 2 2 94 94 PRO HB3 H 1 1.672 0.001 . . . . . . . . . . 5306 2 967 . 2 2 94 94 PRO CG C 13 28.003 0.000 . . . . . . . . . . 5306 2 968 . 2 2 94 94 PRO HG2 H 1 1.937 0.001 . . . . . . . . . . 5306 2 969 . 2 2 94 94 PRO HG3 H 1 1.882 0.001 . . . . . . . . . . 5306 2 970 . 2 2 94 94 PRO HD2 H 1 3.635 0.001 . . . . . . . . . . 5306 2 971 . 2 2 94 94 PRO HD3 H 1 3.443 0.001 . . . . . . . . . . 5306 2 972 . 2 2 94 94 PRO C C 13 177.312 0.000 . . . . . . . . . . 5306 2 973 . 2 2 95 95 LEU N N 15 116.972 0.006 . . . . . . . . . . 5306 2 974 . 2 2 95 95 LEU H H 1 7.647 0.002 . . . . . . . . . . 5306 2 975 . 2 2 95 95 LEU CA C 13 55.503 0.000 . . . . . . . . . . 5306 2 976 . 2 2 95 95 LEU HA H 1 4.341 0.000 . . . . . . . . . . 5306 2 977 . 2 2 95 95 LEU CB C 13 42.066 0.000 . . . . . . . . . . 5306 2 978 . 2 2 95 95 LEU HB2 H 1 2.079 0.002 . . . . . . . . . . 5306 2 979 . 2 2 95 95 LEU HB3 H 1 1.752 0.008 . . . . . . . . . . 5306 2 980 . 2 2 95 95 LEU CG C 13 27.691 0.000 . . . . . . . . . . 5306 2 981 . 2 2 95 95 LEU HG H 1 1.720 0.000 . . . . . . . . . . 5306 2 982 . 2 2 95 95 LEU HD11 H 1 0.833 0.007 . 1 . . . . . . . . 5306 2 983 . 2 2 95 95 LEU HD12 H 1 0.833 0.007 . 1 . . . . . . . . 5306 2 984 . 2 2 95 95 LEU HD13 H 1 0.833 0.007 . 1 . . . . . . . . 5306 2 985 . 2 2 95 95 LEU HD21 H 1 0.732 0.002 . 1 . . . . . . . . 5306 2 986 . 2 2 95 95 LEU HD22 H 1 0.732 0.002 . 1 . . . . . . . . 5306 2 987 . 2 2 95 95 LEU HD23 H 1 0.732 0.002 . 1 . . . . . . . . 5306 2 988 . 2 2 95 95 LEU CD1 C 13 25.503 0.000 . . . . . . . . . . 5306 2 989 . 2 2 95 95 LEU CD2 C 13 23.628 0.000 . . . . . . . . . . 5306 2 990 . 2 2 95 95 LEU C C 13 178.201 0.031 . . . . . . . . . . 5306 2 991 . 2 2 96 96 LYS N N 15 119.818 0.000 . . . . . . . . . . 5306 2 992 . 2 2 96 96 LYS H H 1 7.904 0.001 . . . . . . . . . . 5306 2 993 . 2 2 96 96 LYS CA C 13 56.753 0.000 . . . . . . . . . . 5306 2 994 . 2 2 96 96 LYS HA H 1 4.387 0.002 . . . . . . . . . . 5306 2 995 . 2 2 96 96 LYS CB C 13 33.003 0.000 . . . . . . . . . . 5306 2 996 . 2 2 96 96 LYS CG C 13 25.191 0.000 . . . . . . . . . . 5306 2 997 . 2 2 96 96 LYS HG2 H 1 1.586 0.000 . . . . . . . . . . 5306 2 998 . 2 2 96 96 LYS HG3 H 1 1.439 0.001 . . . . . . . . . . 5306 2 999 . 2 2 96 96 LYS CD C 13 28.941 0.000 . . . . . . . . . . 5306 2 1000 . 2 2 96 96 LYS CE C 13 42.066 0.000 . . . . . . . . . . 5306 2 1001 . 2 2 96 96 LYS HE2 H 1 2.763 0.000 . . . . . . . . . . 5306 2 1002 . 2 2 96 96 LYS HE3 H 1 2.624 0.000 . . . . . . . . . . 5306 2 1003 . 2 2 96 96 LYS C C 13 176.723 0.024 . . . . . . . . . . 5306 2 1004 . 2 2 97 97 ASN N N 15 118.504 0.002 . . . . . . . . . . 5306 2 1005 . 2 2 97 97 ASN H H 1 8.332 0.003 . . . . . . . . . . 5306 2 1006 . 2 2 97 97 ASN CA C 13 53.003 0.000 . . . . . . . . . . 5306 2 1007 . 2 2 97 97 ASN HA H 1 4.728 0.000 . . . . . . . . . . 5306 2 1008 . 2 2 97 97 ASN CB C 13 38.628 0.000 . . . . . . . . . . 5306 2 1009 . 2 2 97 97 ASN HB2 H 1 2.874 0.001 . . . . . . . . . . 5306 2 1010 . 2 2 97 97 ASN HB3 H 1 2.752 0.001 . . . . . . . . . . 5306 2 1011 . 2 2 97 97 ASN ND2 N 15 112.818 0.000 . . . . . . . . . . 5306 2 1012 . 2 2 97 97 ASN HD21 H 1 7.613 0.002 . . . . . . . . . . 5306 2 1013 . 2 2 97 97 ASN HD22 H 1 6.907 0.000 . . . . . . . . . . 5306 2 1014 . 2 2 97 97 ASN C C 13 174.991 0.000 . . . . . . . . . . 5306 2 1015 . 2 2 98 98 ALA N N 15 124.208 0.033 . . . . . . . . . . 5306 2 1016 . 2 2 98 98 ALA H H 1 8.164 0.001 . . . . . . . . . . 5306 2 1017 . 2 2 98 98 ALA CA C 13 53.003 0.000 . . . . . . . . . . 5306 2 1018 . 2 2 98 98 ALA HA H 1 4.321 0.000 . . . . . . . . . . 5306 2 1019 . 2 2 98 98 ALA HB1 H 1 1.441 0.000 . 1 . . . . . . . . 5306 2 1020 . 2 2 98 98 ALA HB2 H 1 1.441 0.000 . 1 . . . . . . . . 5306 2 1021 . 2 2 98 98 ALA HB3 H 1 1.441 0.000 . 1 . . . . . . . . 5306 2 1022 . 2 2 98 98 ALA CB C 13 18.941 0.000 . . . . . . . . . . 5306 2 1023 . 2 2 98 98 ALA C C 13 178.097 0.000 . . . . . . . . . . 5306 2 1024 . 2 2 99 99 GLY N N 15 107.562 0.010 . . . . . . . . . . 5306 2 1025 . 2 2 99 99 GLY H H 1 8.341 0.002 . . . . . . . . . . 5306 2 1026 . 2 2 99 99 GLY CA C 13 45.191 0.000 . . . . . . . . . . 5306 2 1027 . 2 2 99 99 GLY C C 13 173.904 0.000 . . . . . . . . . . 5306 2 1028 . 2 2 100 100 ASP N N 15 120.474 0.000 . . . . . . . . . . 5306 2 1029 . 2 2 100 100 ASP H H 1 8.219 0.006 . . . . . . . . . . 5306 2 1030 . 2 2 100 100 ASP CA C 13 54.253 0.000 . . . . . . . . . . 5306 2 1031 . 2 2 100 100 ASP HA H 1 4.629 0.002 . . . . . . . . . . 5306 2 1032 . 2 2 100 100 ASP CB C 13 40.816 0.000 . . . . . . . . . . 5306 2 1033 . 2 2 100 100 ASP HB2 H 1 2.720 0.004 . . . . . . . . . . 5306 2 1034 . 2 2 100 100 ASP HB3 H 1 2.626 0.005 . . . . . . . . . . 5306 2 1035 . 2 2 100 100 ASP C C 13 175.302 0.000 . . . . . . . . . . 5306 2 1036 . 2 2 101 101 LYS N N 15 125.954 0.029 . . . . . . . . . . 5306 2 1037 . 2 2 101 101 LYS H H 1 7.836 0.003 . . . . . . . . . . 5306 2 1038 . 2 2 101 101 LYS CA C 13 57.378 0.000 . . . . . . . . . . 5306 2 1039 . 2 2 101 101 LYS HA H 1 4.168 0.005 . . . . . . . . . . 5306 2 1040 . 2 2 101 101 LYS CB C 13 33.628 0.000 . . . . . . . . . . 5306 2 1041 . 2 2 101 101 LYS HB2 H 1 1.833 0.001 . . . . . . . . . . 5306 2 1042 . 2 2 101 101 LYS HB3 H 1 1.713 0.000 . . . . . . . . . . 5306 2 1043 . 2 2 101 101 LYS CG C 13 24.253 0.000 . . . . . . . . . . 5306 2 1044 . 2 2 101 101 LYS CD C 13 28.941 0.000 . . . . . . . . . . 5306 2 1045 . 2 2 101 101 LYS CE C 13 41.753 0.000 . . . . . . . . . . 5306 2 1046 . 2 2 101 101 LYS C C 13 181.357 0.000 . . . . . . . . . . 5306 2 stop_ save_