data_16031 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16031 _Entry.Title ; Nav1.5 C-terminal EF-Hand Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-15 _Entry.Accession_date 2008-11-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone chemical shifts of the human Voltage-gated Sodium Channel, cardiac isoform (Nav1.5)' _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 Vesselin Miloushev . Z. . 16031 2 Joshua Levine . A. . 16031 3 Mark Arbing . A. . 16031 4 John Hunt . F. . 16031 5 Geoff Pitt . S. . 16031 6 Arthur Palmer . G. . 16031 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16031 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 16031 '15N chemical shifts' 97 16031 '1H chemical shifts' 327 16031 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 3 . . 2009-03-04 2008-11-17 update BMRB 'complete entry citation' 16031 2 . . 2009-02-17 2008-11-17 update BMRB 'correct residue numbers in data table' 16031 1 . . 2009-01-20 2008-11-17 original author 'original release' 16031 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1byy 'SODIUM CHANNEL IIA INACTIVATION GATE' 16031 PDB 1qg9 'SECOND REPEAT (IS2MIC) FROM VOLTAGE-GATED SODIUM CHANNEL' 16031 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16031 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19129176 _Citation.Full_citation . _Citation.Title 'Solution structure of the NaV1.2 C-terminal EF-hand domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 284 _Citation.Journal_issue 10 _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 6446 _Citation.Page_last 6454 _Citation.Year 2009 _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 Vesselin Miloushev . Z. . 16031 1 2 Joshua Levine . A. . 16031 1 3 Mark Arbing . A. . 16031 1 4 John Hunt . F. . 16031 1 5 Geoff Pitt . S. . 16031 1 6 Arthur Palmer . G. . 16031 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Voltage-gated Sodium Channel' 16031 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16031 _Assembly.ID 1 _Assembly.Name Nav1.5 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 Nav1.5 1 $Nav1.5 A . yes native no no . . . 16031 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'channel inactivation' 16031 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nav1.5 _Entity.Sf_category entity _Entity.Sf_framecode Nav1.5 _Entity.Entry_ID 16031 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nav1.5 _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 ; MGSSHHHHHHSSGLVPRGSH MASENFSVATEESTEPLSED DFDMFYEIWEKFDPEATQFI EYSVLSDFADALSEPLRIAK PNQISLINMDLPMVSGDRIH CMDILFAFTKRVLGESGEMD ALKIQMEEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residue 24 in construct is residue 1773 in the native protein' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 16045 . hH1 . . . . . 73.64 97 98.95 98.95 8.28e-61 . . . . 16031 1 2 no PDB 2KBI . "Solution Nmr Structure Of The C-Terminal Ef-Hand Domain Of Human Cardiac Sodium Channel Nav1.5" . . . . . 73.64 97 98.95 98.95 8.28e-61 . . . . 16031 1 3 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 82.17 168 100.00 100.00 3.19e-70 . . . . 16031 1 4 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 100.00 191 100.00 100.00 8.98e-89 . . . . 16031 1 5 no DBJ BAD12084 . "TTX-resistant sodium channel [Homo sapiens]" . . . . . 82.17 2016 100.00 100.00 7.12e-63 . . . . 16031 1 6 no DBJ BAD12085 . "TTX-resistant sodium channel splicing variant [Homo sapiens]" . . . . . 82.17 1962 100.00 100.00 6.46e-63 . . . . 16031 1 7 no DBJ BAD92103 . "voltage-gated sodium channel type V alpha isoform b variant [Homo sapiens]" . . . . . 82.17 1576 100.00 100.00 6.88e-63 . . . . 16031 1 8 no DBJ BAE27800 . "unnamed protein product [Mus musculus]" . . . . . 82.17 2020 98.11 98.11 2.01e-61 . . . . 16031 1 9 no DBJ BAE27966 . "unnamed protein product [Mus musculus]" . . . . . 82.17 2020 98.11 98.11 2.01e-61 . . . . 16031 1 10 no EMBL CAB70096 . "voltage-gated sodium channel [Mus musculus]" . . . . . 82.17 2019 98.11 98.11 2.03e-61 . . . . 16031 1 11 no EMBL CAC80974 . "voltage-gated sodium channel alpha subunit [Bos taurus]" . . . . . 82.17 2022 97.17 97.17 1.21e-60 . . . . 16031 1 12 no EMBL CAD88248 . "voltage-gated sodium channel alpha subunit [Canis lupus familiaris]" . . . . . 82.17 2013 99.06 99.06 2.89e-62 . . . . 16031 1 13 no GB AAA42114 . "sodium channel alpha-subunit [Rattus norvegicus]" . . . . . 82.17 2019 98.11 98.11 1.90e-61 . . . . 16031 1 14 no GB AAA58644 . "sodium channel alpha subunit [Homo sapiens]" . . . . . 82.17 2016 100.00 100.00 7.47e-63 . . . . 16031 1 15 no GB AAI40814 . "SCN5A protein [Homo sapiens]" . . . . . 82.17 1983 100.00 100.00 7.48e-63 . . . . 16031 1 16 no GB AAI44622 . "SCN5A protein [Homo sapiens]" . . . . . 82.17 1983 100.00 100.00 7.48e-63 . . . . 16031 1 17 no GB AAI72643 . "Sodium channel, voltage-gated, type V, alpha [synthetic construct]" . . . . . 82.17 2020 98.11 98.11 2.01e-61 . . . . 16031 1 18 no REF NP_000326 . "sodium channel protein type 5 subunit alpha isoform b [Homo sapiens]" . . . . . 82.17 2015 100.00 100.00 7.40e-63 . . . . 16031 1 19 no REF NP_001002994 . "sodium channel protein type 5 subunit alpha [Canis lupus familiaris]" . . . . . 82.17 2013 99.06 99.06 2.89e-62 . . . . 16031 1 20 no REF NP_001092874 . "sodium channel protein type 5 subunit alpha isoform c [Homo sapiens]" . . . . . 82.17 2016 100.00 100.00 7.12e-63 . . . . 16031 1 21 no REF NP_001092875 . "sodium channel protein type 5 subunit alpha isoform d [Homo sapiens]" . . . . . 82.17 1998 100.00 100.00 6.59e-63 . . . . 16031 1 22 no REF NP_001153632 . "sodium channel protein type 5 subunit alpha isoform e [Homo sapiens]" . . . . . 82.17 1983 100.00 100.00 7.78e-63 . . . . 16031 1 23 no SP P15389 . "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=Sodium channel protein cardiac muscle subunit alpha; A" . . . . . 82.17 2019 98.11 98.11 1.90e-61 . . . . 16031 1 24 no SP Q14524 . "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=HH1; AltName: Full=Sodium channel protein cardiac musc" . . . . . 82.17 2016 100.00 100.00 7.40e-63 . . . . 16031 1 25 no SP Q9JJV9 . "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=Sodium channel protein cardiac muscle subunit alpha; A" . . . . . 82.17 2019 98.11 98.11 2.03e-61 . . . . 16031 1 26 no TPG DAA17127 . "TPA: voltage-gated sodium channel type V alpha [Bos taurus]" . . . . . 82.17 2022 97.17 97.17 1.21e-60 . . . . 16031 1 27 no TPG DAA34921 . "TPA_inf: voltage-dependent sodium channel SCN5A [Monodelphis domestica]" . . . . . 82.17 1840 98.11 99.06 8.76e-62 . . . . 16031 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 1750 MET . 16031 1 2 1751 GLY . 16031 1 3 1752 SER . 16031 1 4 1753 SER . 16031 1 5 1754 HIS . 16031 1 6 1755 HIS . 16031 1 7 1756 HIS . 16031 1 8 1757 HIS . 16031 1 9 1758 HIS . 16031 1 10 1759 HIS . 16031 1 11 1760 SER . 16031 1 12 1761 SER . 16031 1 13 1762 GLY . 16031 1 14 1763 LEU . 16031 1 15 1764 VAL . 16031 1 16 1765 PRO . 16031 1 17 1766 ARG . 16031 1 18 1767 GLY . 16031 1 19 1768 SER . 16031 1 20 1769 HIS . 16031 1 21 1770 MET . 16031 1 22 1771 ALA . 16031 1 23 1772 SER . 16031 1 24 1773 GLU . 16031 1 25 1774 ASN . 16031 1 26 1775 PHE . 16031 1 27 1776 SER . 16031 1 28 1777 VAL . 16031 1 29 1778 ALA . 16031 1 30 1779 THR . 16031 1 31 1780 GLU . 16031 1 32 1781 GLU . 16031 1 33 1782 SER . 16031 1 34 1783 THR . 16031 1 35 1784 GLU . 16031 1 36 1785 PRO . 16031 1 37 1786 LEU . 16031 1 38 1787 SER . 16031 1 39 1788 GLU . 16031 1 40 1789 ASP . 16031 1 41 1790 ASP . 16031 1 42 1791 PHE . 16031 1 43 1792 ASP . 16031 1 44 1793 MET . 16031 1 45 1794 PHE . 16031 1 46 1795 TYR . 16031 1 47 1796 GLU . 16031 1 48 1797 ILE . 16031 1 49 1798 TRP . 16031 1 50 1799 GLU . 16031 1 51 1800 LYS . 16031 1 52 1801 PHE . 16031 1 53 1802 ASP . 16031 1 54 1803 PRO . 16031 1 55 1804 GLU . 16031 1 56 1805 ALA . 16031 1 57 1806 THR . 16031 1 58 1807 GLN . 16031 1 59 1808 PHE . 16031 1 60 1809 ILE . 16031 1 61 1810 GLU . 16031 1 62 1811 TYR . 16031 1 63 1812 SER . 16031 1 64 1813 VAL . 16031 1 65 1814 LEU . 16031 1 66 1815 SER . 16031 1 67 1816 ASP . 16031 1 68 1817 PHE . 16031 1 69 1818 ALA . 16031 1 70 1819 ASP . 16031 1 71 1820 ALA . 16031 1 72 1821 LEU . 16031 1 73 1822 SER . 16031 1 74 1823 GLU . 16031 1 75 1824 PRO . 16031 1 76 1825 LEU . 16031 1 77 1826 ARG . 16031 1 78 1827 ILE . 16031 1 79 1828 ALA . 16031 1 80 1829 LYS . 16031 1 81 1830 PRO . 16031 1 82 1831 ASN . 16031 1 83 1832 GLN . 16031 1 84 1833 ILE . 16031 1 85 1834 SER . 16031 1 86 1835 LEU . 16031 1 87 1836 ILE . 16031 1 88 1837 ASN . 16031 1 89 1838 MET . 16031 1 90 1839 ASP . 16031 1 91 1840 LEU . 16031 1 92 1841 PRO . 16031 1 93 1842 MET . 16031 1 94 1843 VAL . 16031 1 95 1844 SER . 16031 1 96 1845 GLY . 16031 1 97 1846 ASP . 16031 1 98 1847 ARG . 16031 1 99 1848 ILE . 16031 1 100 1849 HIS . 16031 1 101 1850 CYS . 16031 1 102 1851 MET . 16031 1 103 1852 ASP . 16031 1 104 1853 ILE . 16031 1 105 1854 LEU . 16031 1 106 1855 PHE . 16031 1 107 1856 ALA . 16031 1 108 1857 PHE . 16031 1 109 1858 THR . 16031 1 110 1859 LYS . 16031 1 111 1860 ARG . 16031 1 112 1861 VAL . 16031 1 113 1862 LEU . 16031 1 114 1863 GLY . 16031 1 115 1864 GLU . 16031 1 116 1865 SER . 16031 1 117 1866 GLY . 16031 1 118 1867 GLU . 16031 1 119 1868 MET . 16031 1 120 1869 ASP . 16031 1 121 1870 ALA . 16031 1 122 1871 LEU . 16031 1 123 1872 LYS . 16031 1 124 1873 ILE . 16031 1 125 1874 GLN . 16031 1 126 1875 MET . 16031 1 127 1876 GLU . 16031 1 128 1877 GLU . 16031 1 129 1878 LYS . 16031 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16031 1 . GLY 2 2 16031 1 . SER 3 3 16031 1 . SER 4 4 16031 1 . HIS 5 5 16031 1 . HIS 6 6 16031 1 . HIS 7 7 16031 1 . HIS 8 8 16031 1 . HIS 9 9 16031 1 . HIS 10 10 16031 1 . SER 11 11 16031 1 . SER 12 12 16031 1 . GLY 13 13 16031 1 . LEU 14 14 16031 1 . VAL 15 15 16031 1 . PRO 16 16 16031 1 . ARG 17 17 16031 1 . GLY 18 18 16031 1 . SER 19 19 16031 1 . HIS 20 20 16031 1 . MET 21 21 16031 1 . ALA 22 22 16031 1 . SER 23 23 16031 1 . GLU 24 24 16031 1 . ASN 25 25 16031 1 . PHE 26 26 16031 1 . SER 27 27 16031 1 . VAL 28 28 16031 1 . ALA 29 29 16031 1 . THR 30 30 16031 1 . GLU 31 31 16031 1 . GLU 32 32 16031 1 . SER 33 33 16031 1 . THR 34 34 16031 1 . GLU 35 35 16031 1 . PRO 36 36 16031 1 . LEU 37 37 16031 1 . SER 38 38 16031 1 . GLU 39 39 16031 1 . ASP 40 40 16031 1 . ASP 41 41 16031 1 . PHE 42 42 16031 1 . ASP 43 43 16031 1 . MET 44 44 16031 1 . PHE 45 45 16031 1 . TYR 46 46 16031 1 . GLU 47 47 16031 1 . ILE 48 48 16031 1 . TRP 49 49 16031 1 . GLU 50 50 16031 1 . LYS 51 51 16031 1 . PHE 52 52 16031 1 . ASP 53 53 16031 1 . PRO 54 54 16031 1 . GLU 55 55 16031 1 . ALA 56 56 16031 1 . THR 57 57 16031 1 . GLN 58 58 16031 1 . PHE 59 59 16031 1 . ILE 60 60 16031 1 . GLU 61 61 16031 1 . TYR 62 62 16031 1 . SER 63 63 16031 1 . VAL 64 64 16031 1 . LEU 65 65 16031 1 . SER 66 66 16031 1 . ASP 67 67 16031 1 . PHE 68 68 16031 1 . ALA 69 69 16031 1 . ASP 70 70 16031 1 . ALA 71 71 16031 1 . LEU 72 72 16031 1 . SER 73 73 16031 1 . GLU 74 74 16031 1 . PRO 75 75 16031 1 . LEU 76 76 16031 1 . ARG 77 77 16031 1 . ILE 78 78 16031 1 . ALA 79 79 16031 1 . LYS 80 80 16031 1 . PRO 81 81 16031 1 . ASN 82 82 16031 1 . GLN 83 83 16031 1 . ILE 84 84 16031 1 . SER 85 85 16031 1 . LEU 86 86 16031 1 . ILE 87 87 16031 1 . ASN 88 88 16031 1 . MET 89 89 16031 1 . ASP 90 90 16031 1 . LEU 91 91 16031 1 . PRO 92 92 16031 1 . MET 93 93 16031 1 . VAL 94 94 16031 1 . SER 95 95 16031 1 . GLY 96 96 16031 1 . ASP 97 97 16031 1 . ARG 98 98 16031 1 . ILE 99 99 16031 1 . HIS 100 100 16031 1 . CYS 101 101 16031 1 . MET 102 102 16031 1 . ASP 103 103 16031 1 . ILE 104 104 16031 1 . LEU 105 105 16031 1 . PHE 106 106 16031 1 . ALA 107 107 16031 1 . PHE 108 108 16031 1 . THR 109 109 16031 1 . LYS 110 110 16031 1 . ARG 111 111 16031 1 . VAL 112 112 16031 1 . LEU 113 113 16031 1 . GLY 114 114 16031 1 . GLU 115 115 16031 1 . SER 116 116 16031 1 . GLY 117 117 16031 1 . GLU 118 118 16031 1 . MET 119 119 16031 1 . ASP 120 120 16031 1 . ALA 121 121 16031 1 . LEU 122 122 16031 1 . LYS 123 123 16031 1 . ILE 124 124 16031 1 . GLN 125 125 16031 1 . MET 126 126 16031 1 . GLU 127 127 16031 1 . GLU 128 128 16031 1 . LYS 129 129 16031 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16031 _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 $Nav1.5 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . SCN5A . . . . 16031 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 16031 _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 $Nav1.5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . pET28 . . . 'Construct retains 6x His tag (MGSSHHHHHHSSGLVPRGSHMAS)' . . 16031 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16031 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Nav1.5 '[U-98% 13C; U-98% 15N]' . . 1 $Nav1.5 . . 0.5 . . mM 0.05 . . . 16031 1 2 TRIS '[D-11 98 %]' . . . . . . 20 . . mM 0.2 . . . 16031 1 3 glycine '[D-5 98 %]' . . . . . . 100 . . mM 1 . . . 16031 1 4 EDTA '[D-16 98 %]' . . . . . . 0.1 . . mM 0.01 . . . 16031 1 5 D2O 'natural abundance' . . . . . . 10 . . % 0.5 . . . 16031 1 6 H2O 'natural abundance' . . . . . . 90 . . % 0.5 . . . 16031 1 7 NaN3 'natural abundance' . . . . . . 0.02 . . % 0.002 . . . 16031 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16031 _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 'ionic strength' 0.1 0.01 M 16031 1 pH 7.4 0.1 pH 16031 1 pressure 1 . atm 16031 1 temperature 298 0.1 K 16031 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16031 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16031 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16031 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16031 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16031 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16031 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16031 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16031 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16031 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16031 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 16031 1 2 spectrometer_2 Bruker DRX . 600 . . . 16031 1 3 spectrometer_3 Bruker Avance . 700 . . . 16031 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 16031 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16031 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16031 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16031 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16031 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16031 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16031 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16031 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16031 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16031 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16031 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16031 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 'Errors are reported in NMRSTAR file as standard deviations' _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 '3D HNCO' . . . 16031 1 2 '3D HNCA' . . . 16031 1 3 '3D HN(CO)CA' . . . 16031 1 4 '3D HN(CA)CO' . . . 16031 1 5 '3D HNCACB' . . . 16031 1 6 '3D HBHA(CO)NH' . . . 16031 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16031 1 2 $SPARKY . . 16031 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 24 24 GLU H H 1 8.324 0.005 . 1 . . . . 1773 GLU H . 16031 1 2 . 1 1 24 24 GLU HA H 1 4.140 0.010 . 1 . . . . 1773 GLU HA . 16031 1 3 . 1 1 24 24 GLU HB2 H 1 1.813 0.010 . 2 . . . . 1773 GLU HB2 . 16031 1 4 . 1 1 24 24 GLU HB3 H 1 1.879 0.010 . 2 . . . . 1773 GLU HB3 . 16031 1 5 . 1 1 24 24 GLU C C 13 173.717 0.004 . 1 . . . . 1773 GLU C . 16031 1 6 . 1 1 24 24 GLU CA C 13 54.622 0.019 . 1 . . . . 1773 GLU CA . 16031 1 7 . 1 1 24 24 GLU CB C 13 27.679 0.100 . 1 . . . . 1773 GLU CB . 16031 1 8 . 1 1 24 24 GLU N N 15 121.574 0.023 . 1 . . . . 1773 GLU N . 16031 1 9 . 1 1 25 25 ASN H H 1 8.162 0.002 . 1 . . . . 1774 ASN H . 16031 1 10 . 1 1 25 25 ASN HA H 1 4.544 0.010 . 1 . . . . 1774 ASN HA . 16031 1 11 . 1 1 25 25 ASN HB2 H 1 2.547 0.010 . 2 . . . . 1774 ASN HB2 . 16031 1 12 . 1 1 25 25 ASN HB3 H 1 2.653 0.010 . 2 . . . . 1774 ASN HB3 . 16031 1 13 . 1 1 25 25 ASN C C 13 172.379 0.020 . 1 . . . . 1774 ASN C . 16031 1 14 . 1 1 25 25 ASN CA C 13 50.895 0.043 . 1 . . . . 1774 ASN CA . 16031 1 15 . 1 1 25 25 ASN CB C 13 36.609 0.100 . 1 . . . . 1774 ASN CB . 16031 1 16 . 1 1 25 25 ASN N N 15 117.932 0.018 . 1 . . . . 1774 ASN N . 16031 1 17 . 1 1 26 26 PHE H H 1 7.983 0.003 . 1 . . . . 1775 PHE H . 16031 1 18 . 1 1 26 26 PHE HA H 1 4.520 0.010 . 1 . . . . 1775 PHE HA . 16031 1 19 . 1 1 26 26 PHE HB2 H 1 2.921 0.010 . 2 . . . . 1775 PHE HB2 . 16031 1 20 . 1 1 26 26 PHE HB3 H 1 3.058 0.010 . 2 . . . . 1775 PHE HB3 . 16031 1 21 . 1 1 26 26 PHE C C 13 173.162 0.001 . 1 . . . . 1775 PHE C . 16031 1 22 . 1 1 26 26 PHE CA C 13 55.537 0.074 . 1 . . . . 1775 PHE CA . 16031 1 23 . 1 1 26 26 PHE CB C 13 37.166 0.100 . 1 . . . . 1775 PHE CB . 16031 1 24 . 1 1 26 26 PHE N N 15 119.963 0.038 . 1 . . . . 1775 PHE N . 16031 1 25 . 1 1 27 27 SER H H 1 8.072 0.001 . 1 . . . . 1776 SER H . 16031 1 26 . 1 1 27 27 SER HA H 1 4.360 0.010 . 1 . . . . 1776 SER HA . 16031 1 27 . 1 1 27 27 SER HB2 H 1 3.718 0.010 . 2 . . . . 1776 SER QB . 16031 1 28 . 1 1 27 27 SER HB3 H 1 3.718 0.010 . 2 . . . . 1776 SER QB . 16031 1 29 . 1 1 27 27 SER C C 13 171.742 0.100 . 1 . . . . 1776 SER C . 16031 1 30 . 1 1 27 27 SER CA C 13 55.841 0.027 . 1 . . . . 1776 SER CA . 16031 1 31 . 1 1 27 27 SER CB C 13 61.639 0.002 . 1 . . . . 1776 SER CB . 16031 1 32 . 1 1 27 27 SER N N 15 116.885 0.026 . 1 . . . . 1776 SER N . 16031 1 33 . 1 1 28 28 VAL H H 1 7.965 0.002 . 1 . . . . 1777 VAL H . 16031 1 34 . 1 1 28 28 VAL HA H 1 4.052 0.010 . 1 . . . . 1777 VAL HA . 16031 1 35 . 1 1 28 28 VAL HB H 1 2.002 0.010 . 1 . . . . 1777 VAL HB . 16031 1 36 . 1 1 28 28 VAL C C 13 173.370 0.002 . 1 . . . . 1777 VAL C . 16031 1 37 . 1 1 28 28 VAL CA C 13 59.692 0.012 . 1 . . . . 1777 VAL CA . 16031 1 38 . 1 1 28 28 VAL CB C 13 30.514 0.100 . 1 . . . . 1777 VAL CB . 16031 1 39 . 1 1 28 28 VAL N N 15 120.735 0.019 . 1 . . . . 1777 VAL N . 16031 1 40 . 1 1 29 29 ALA H H 1 8.275 0.002 . 1 . . . . 1778 ALA H . 16031 1 41 . 1 1 29 29 ALA HA H 1 4.311 0.010 . 1 . . . . 1778 ALA HA . 16031 1 42 . 1 1 29 29 ALA HB1 H 1 1.304 0.010 . 1 . . . . 1778 ALA MB . 16031 1 43 . 1 1 29 29 ALA HB2 H 1 1.304 0.010 . 1 . . . . 1778 ALA MB . 16031 1 44 . 1 1 29 29 ALA HB3 H 1 1.304 0.010 . 1 . . . . 1778 ALA MB . 16031 1 45 . 1 1 29 29 ALA C C 13 175.477 0.002 . 1 . . . . 1778 ALA C . 16031 1 46 . 1 1 29 29 ALA CA C 13 50.220 0.034 . 1 . . . . 1778 ALA CA . 16031 1 47 . 1 1 29 29 ALA CB C 13 16.987 0.006 . 1 . . . . 1778 ALA CB . 16031 1 48 . 1 1 29 29 ALA N N 15 127.031 0.021 . 1 . . . . 1778 ALA N . 16031 1 49 . 1 1 30 30 THR H H 1 8.020 0.002 . 1 . . . . 1779 THR H . 16031 1 50 . 1 1 30 30 THR HB H 1 4.193 0.010 . 1 . . . . 1779 THR HB . 16031 1 51 . 1 1 30 30 THR C C 13 172.345 0.002 . 1 . . . . 1779 THR C . 16031 1 52 . 1 1 30 30 THR CA C 13 59.561 0.046 . 1 . . . . 1779 THR CA . 16031 1 53 . 1 1 30 30 THR CB C 13 67.531 0.006 . 1 . . . . 1779 THR CB . 16031 1 54 . 1 1 30 30 THR N N 15 112.913 0.026 . 1 . . . . 1779 THR N . 16031 1 55 . 1 1 31 31 GLU H H 1 8.345 0.002 . 1 . . . . 1780 GLU H . 16031 1 56 . 1 1 31 31 GLU HA H 1 4.231 0.010 . 1 . . . . 1780 GLU HA . 16031 1 57 . 1 1 31 31 GLU HB2 H 1 1.857 0.010 . 2 . . . . 1780 GLU HB2 . 16031 1 58 . 1 1 31 31 GLU HB3 H 1 1.997 0.010 . 2 . . . . 1780 GLU HB3 . 16031 1 59 . 1 1 31 31 GLU C C 13 174.069 0.003 . 1 . . . . 1780 GLU C . 16031 1 60 . 1 1 31 31 GLU CA C 13 54.517 0.100 . 1 . . . . 1780 GLU CA . 16031 1 61 . 1 1 31 31 GLU CB C 13 27.951 0.100 . 1 . . . . 1780 GLU CB . 16031 1 62 . 1 1 31 31 GLU N N 15 122.146 0.020 . 1 . . . . 1780 GLU N . 16031 1 63 . 1 1 32 32 GLU H H 1 8.321 0.002 . 1 . . . . 1781 GLU H . 16031 1 64 . 1 1 32 32 GLU CA C 13 54.272 0.100 . 1 . . . . 1781 GLU CA . 16031 1 65 . 1 1 32 32 GLU CB C 13 27.978 0.100 . 1 . . . . 1781 GLU CB . 16031 1 66 . 1 1 32 32 GLU N N 15 120.965 0.052 . 1 . . . . 1781 GLU N . 16031 1 67 . 1 1 33 33 SER HA H 1 4.446 0.010 . 1 . . . . 1782 SER HA . 16031 1 68 . 1 1 33 33 SER HB2 H 1 3.796 0.010 . 2 . . . . 1782 SER QB . 16031 1 69 . 1 1 33 33 SER HB3 H 1 3.796 0.010 . 2 . . . . 1782 SER QB . 16031 1 70 . 1 1 33 33 SER C C 13 172.301 0.100 . 1 . . . . 1782 SER C . 16031 1 71 . 1 1 33 33 SER CA C 13 55.894 0.032 . 1 . . . . 1782 SER CA . 16031 1 72 . 1 1 33 33 SER CB C 13 61.622 0.100 . 1 . . . . 1782 SER CB . 16031 1 73 . 1 1 34 34 THR H H 1 8.164 0.003 . 1 . . . . 1783 THR H . 16031 1 74 . 1 1 34 34 THR HA H 1 4.139 0.010 . 1 . . . . 1783 THR HA . 16031 1 75 . 1 1 34 34 THR HB H 1 4.310 0.010 . 1 . . . . 1783 THR HB . 16031 1 76 . 1 1 34 34 THR C C 13 171.973 0.005 . 1 . . . . 1783 THR C . 16031 1 77 . 1 1 34 34 THR CA C 13 59.311 0.006 . 1 . . . . 1783 THR CA . 16031 1 78 . 1 1 34 34 THR CB C 13 67.559 0.005 . 1 . . . . 1783 THR CB . 16031 1 79 . 1 1 34 34 THR N N 15 115.697 0.030 . 1 . . . . 1783 THR N . 16031 1 80 . 1 1 35 35 GLU H H 1 8.323 0.003 . 1 . . . . 1784 GLU H . 16031 1 81 . 1 1 35 35 GLU HA H 1 4.306 0.010 . 1 . . . . 1784 GLU HA . 16031 1 82 . 1 1 35 35 GLU HB2 H 1 2.156 0.010 . 2 . . . . 1784 GLU HB2 . 16031 1 83 . 1 1 35 35 GLU HB3 H 1 1.716 0.010 . 2 . . . . 1784 GLU HB3 . 16031 1 84 . 1 1 35 35 GLU C C 13 172.832 0.100 . 1 . . . . 1784 GLU C . 16031 1 85 . 1 1 35 35 GLU CA C 13 51.949 0.100 . 1 . . . . 1784 GLU CA . 16031 1 86 . 1 1 35 35 GLU CB C 13 27.672 0.100 . 1 . . . . 1784 GLU CB . 16031 1 87 . 1 1 35 35 GLU N N 15 123.813 0.028 . 1 . . . . 1784 GLU N . 16031 1 88 . 1 1 36 36 PRO C C 13 173.965 0.100 . 1 . . . . 1785 PRO C . 16031 1 89 . 1 1 36 36 PRO CA C 13 61.531 0.100 . 1 . . . . 1785 PRO CA . 16031 1 90 . 1 1 36 36 PRO CB C 13 30.062 0.100 . 1 . . . . 1785 PRO CB . 16031 1 91 . 1 1 37 37 LEU H H 1 7.430 0.003 . 1 . . . . 1786 LEU H . 16031 1 92 . 1 1 37 37 LEU HA H 1 4.533 0.010 . 1 . . . . 1786 LEU HA . 16031 1 93 . 1 1 37 37 LEU HB2 H 1 1.464 0.010 . 2 . . . . 1786 LEU HB2 . 16031 1 94 . 1 1 37 37 LEU HB3 H 1 1.135 0.010 . 2 . . . . 1786 LEU HB3 . 16031 1 95 . 1 1 37 37 LEU C C 13 173.568 0.003 . 1 . . . . 1786 LEU C . 16031 1 96 . 1 1 37 37 LEU CA C 13 51.301 0.054 . 1 . . . . 1786 LEU CA . 16031 1 97 . 1 1 37 37 LEU CB C 13 42.215 0.016 . 1 . . . . 1786 LEU CB . 16031 1 98 . 1 1 37 37 LEU N N 15 116.998 0.028 . 1 . . . . 1786 LEU N . 16031 1 99 . 1 1 38 38 SER H H 1 9.423 0.003 . 1 . . . . 1787 SER H . 16031 1 100 . 1 1 38 38 SER HA H 1 4.666 0.010 . 1 . . . . 1787 SER HA . 16031 1 101 . 1 1 38 38 SER HB2 H 1 4.163 0.010 . 2 . . . . 1787 SER HB2 . 16031 1 102 . 1 1 38 38 SER HB3 H 1 3.843 0.010 . 2 . . . . 1787 SER HB3 . 16031 1 103 . 1 1 38 38 SER C C 13 172.876 0.003 . 1 . . . . 1787 SER C . 16031 1 104 . 1 1 38 38 SER CA C 13 54.386 0.032 . 1 . . . . 1787 SER CA . 16031 1 105 . 1 1 38 38 SER CB C 13 64.328 0.022 . 1 . . . . 1787 SER CB . 16031 1 106 . 1 1 38 38 SER N N 15 118.947 0.037 . 1 . . . . 1787 SER N . 16031 1 107 . 1 1 39 39 GLU H H 1 8.970 0.002 . 1 . . . . 1788 GLU H . 16031 1 108 . 1 1 39 39 GLU HA H 1 4.282 0.120 . 1 . . . . 1788 GLU HA . 16031 1 109 . 1 1 39 39 GLU HB2 H 1 2.624 0.010 . 2 . . . . 1788 GLU HB2 . 16031 1 110 . 1 1 39 39 GLU HB3 H 1 2.474 0.010 . 2 . . . . 1788 GLU HB3 . 16031 1 111 . 1 1 39 39 GLU C C 13 176.020 0.007 . 1 . . . . 1788 GLU C . 16031 1 112 . 1 1 39 39 GLU CA C 13 57.782 0.027 . 1 . . . . 1788 GLU CA . 16031 1 113 . 1 1 39 39 GLU CB C 13 27.154 0.001 . 1 . . . . 1788 GLU CB . 16031 1 114 . 1 1 39 39 GLU N N 15 120.816 0.036 . 1 . . . . 1788 GLU N . 16031 1 115 . 1 1 40 40 ASP H H 1 8.087 0.002 . 1 . . . . 1789 ASP H . 16031 1 116 . 1 1 40 40 ASP C C 13 176.273 0.016 . 1 . . . . 1789 ASP C . 16031 1 117 . 1 1 40 40 ASP CA C 13 54.873 0.004 . 1 . . . . 1789 ASP CA . 16031 1 118 . 1 1 40 40 ASP CB C 13 38.255 0.100 . 1 . . . . 1789 ASP CB . 16031 1 119 . 1 1 40 40 ASP N N 15 116.754 0.039 . 1 . . . . 1789 ASP N . 16031 1 120 . 1 1 41 41 ASP H H 1 7.676 0.004 . 1 . . . . 1790 ASP H . 16031 1 121 . 1 1 41 41 ASP HA H 1 4.335 0.010 . 1 . . . . 1790 ASP HA . 16031 1 122 . 1 1 41 41 ASP HB2 H 1 2.602 0.010 . 2 . . . . 1790 ASP HB2 . 16031 1 123 . 1 1 41 41 ASP HB3 H 1 2.148 0.010 . 2 . . . . 1790 ASP HB3 . 16031 1 124 . 1 1 41 41 ASP C C 13 176.019 0.003 . 1 . . . . 1790 ASP C . 16031 1 125 . 1 1 41 41 ASP CA C 13 55.537 0.078 . 1 . . . . 1790 ASP CA . 16031 1 126 . 1 1 41 41 ASP CB C 13 38.799 0.100 . 1 . . . . 1790 ASP CB . 16031 1 127 . 1 1 41 41 ASP N N 15 120.025 0.021 . 1 . . . . 1790 ASP N . 16031 1 128 . 1 1 42 42 PHE H H 1 7.457 0.001 . 1 . . . . 1791 PHE H . 16031 1 129 . 1 1 42 42 PHE HA H 1 4.083 0.010 . 1 . . . . 1791 PHE HA . 16031 1 130 . 1 1 42 42 PHE HB2 H 1 3.031 0.010 . 2 . . . . 1791 PHE QB . 16031 1 131 . 1 1 42 42 PHE HB3 H 1 3.031 0.010 . 2 . . . . 1791 PHE QB . 16031 1 132 . 1 1 42 42 PHE C C 13 174.943 0.017 . 1 . . . . 1791 PHE C . 16031 1 133 . 1 1 42 42 PHE CA C 13 59.365 0.059 . 1 . . . . 1791 PHE CA . 16031 1 134 . 1 1 42 42 PHE CB C 13 36.058 0.014 . 1 . . . . 1791 PHE CB . 16031 1 135 . 1 1 42 42 PHE N N 15 118.306 0.020 . 1 . . . . 1791 PHE N . 16031 1 136 . 1 1 43 43 ASP H H 1 8.456 0.002 . 1 . . . . 1792 ASP H . 16031 1 137 . 1 1 43 43 ASP HA H 1 4.579 0.010 . 1 . . . . 1792 ASP HA . 16031 1 138 . 1 1 43 43 ASP HB2 H 1 2.864 0.010 . 2 . . . . 1792 ASP HB2 . 16031 1 139 . 1 1 43 43 ASP HB3 H 1 2.785 0.010 . 2 . . . . 1792 ASP HB3 . 16031 1 140 . 1 1 43 43 ASP C C 13 176.855 0.100 . 1 . . . . 1792 ASP C . 16031 1 141 . 1 1 43 43 ASP CA C 13 55.791 0.100 . 1 . . . . 1792 ASP CA . 16031 1 142 . 1 1 43 43 ASP CB C 13 37.855 0.100 . 1 . . . . 1792 ASP CB . 16031 1 143 . 1 1 43 43 ASP N N 15 119.469 0.036 . 1 . . . . 1792 ASP N . 16031 1 144 . 1 1 44 44 MET H H 1 7.913 0.002 . 1 . . . . 1793 MET H . 16031 1 145 . 1 1 44 44 MET C C 13 175.153 0.020 . 1 . . . . 1793 MET C . 16031 1 146 . 1 1 44 44 MET CA C 13 56.183 0.100 . 1 . . . . 1793 MET CA . 16031 1 147 . 1 1 44 44 MET N N 15 120.021 0.022 . 1 . . . . 1793 MET N . 16031 1 148 . 1 1 45 45 PHE H H 1 7.976 0.005 . 1 . . . . 1794 PHE H . 16031 1 149 . 1 1 45 45 PHE HA H 1 3.815 0.010 . 1 . . . . 1794 PHE HA . 16031 1 150 . 1 1 45 45 PHE C C 13 174.922 0.009 . 1 . . . . 1794 PHE C . 16031 1 151 . 1 1 45 45 PHE CA C 13 59.455 0.100 . 1 . . . . 1794 PHE CA . 16031 1 152 . 1 1 45 45 PHE N N 15 120.763 0.063 . 1 . . . . 1794 PHE N . 16031 1 153 . 1 1 46 46 TYR H H 1 8.256 0.004 . 1 . . . . 1795 TYR H . 16031 1 154 . 1 1 46 46 TYR HA H 1 4.310 0.010 . 1 . . . . 1795 TYR HA . 16031 1 155 . 1 1 46 46 TYR HB2 H 1 3.025 0.010 . 2 . . . . 1795 TYR HB2 . 16031 1 156 . 1 1 46 46 TYR HB3 H 1 2.754 0.010 . 2 . . . . 1795 TYR HB3 . 16031 1 157 . 1 1 46 46 TYR C C 13 176.063 0.004 . 1 . . . . 1795 TYR C . 16031 1 158 . 1 1 46 46 TYR CA C 13 60.441 0.028 . 1 . . . . 1795 TYR CA . 16031 1 159 . 1 1 46 46 TYR CB C 13 35.481 0.100 . 1 . . . . 1795 TYR CB . 16031 1 160 . 1 1 46 46 TYR N N 15 116.296 0.024 . 1 . . . . 1795 TYR N . 16031 1 161 . 1 1 47 47 GLU H H 1 8.295 0.003 . 1 . . . . 1796 GLU H . 16031 1 162 . 1 1 47 47 GLU HA H 1 4.114 0.010 . 1 . . . . 1796 GLU HA . 16031 1 163 . 1 1 47 47 GLU HB2 H 1 2.235 0.010 . 2 . . . . 1796 GLU QB . 16031 1 164 . 1 1 47 47 GLU HB3 H 1 2.235 0.010 . 2 . . . . 1796 GLU QB . 16031 1 165 . 1 1 47 47 GLU C C 13 176.946 0.002 . 1 . . . . 1796 GLU C . 16031 1 166 . 1 1 47 47 GLU CA C 13 57.483 0.056 . 1 . . . . 1796 GLU CA . 16031 1 167 . 1 1 47 47 GLU CB C 13 27.247 0.074 . 1 . . . . 1796 GLU CB . 16031 1 168 . 1 1 47 47 GLU N N 15 122.595 0.059 . 1 . . . . 1796 GLU N . 16031 1 169 . 1 1 48 48 ILE H H 1 8.047 0.004 . 1 . . . . 1797 ILE H . 16031 1 170 . 1 1 48 48 ILE HA H 1 3.849 0.010 . 1 . . . . 1797 ILE HA . 16031 1 171 . 1 1 48 48 ILE HB H 1 1.982 0.010 . 1 . . . . 1797 ILE HB . 16031 1 172 . 1 1 48 48 ILE C C 13 176.739 0.002 . 1 . . . . 1797 ILE C . 16031 1 173 . 1 1 48 48 ILE CA C 13 59.910 0.028 . 1 . . . . 1797 ILE CA . 16031 1 174 . 1 1 48 48 ILE CB C 13 32.462 0.007 . 1 . . . . 1797 ILE CB . 16031 1 175 . 1 1 48 48 ILE N N 15 119.144 0.027 . 1 . . . . 1797 ILE N . 16031 1 176 . 1 1 49 49 TRP H H 1 9.123 0.001 . 1 . . . . 1798 TRP H . 16031 1 177 . 1 1 49 49 TRP HA H 1 3.633 0.010 . 1 . . . . 1798 TRP HA . 16031 1 178 . 1 1 49 49 TRP HB2 H 1 2.850 0.010 . 2 . . . . 1798 TRP HB2 . 16031 1 179 . 1 1 49 49 TRP HB3 H 1 3.328 0.010 . 2 . . . . 1798 TRP HB3 . 16031 1 180 . 1 1 49 49 TRP C C 13 175.548 0.004 . 1 . . . . 1798 TRP C . 16031 1 181 . 1 1 49 49 TRP CA C 13 59.840 0.027 . 1 . . . . 1798 TRP CA . 16031 1 182 . 1 1 49 49 TRP CB C 13 26.479 0.014 . 1 . . . . 1798 TRP CB . 16031 1 183 . 1 1 49 49 TRP N N 15 122.260 0.028 . 1 . . . . 1798 TRP N . 16031 1 184 . 1 1 50 50 GLU H H 1 7.884 0.002 . 1 . . . . 1799 GLU H . 16031 1 185 . 1 1 50 50 GLU HA H 1 3.870 0.010 . 1 . . . . 1799 GLU HA . 16031 1 186 . 1 1 50 50 GLU HB2 H 1 2.190 0.010 . 2 . . . . 1799 GLU HB2 . 16031 1 187 . 1 1 50 50 GLU HB3 H 1 2.130 0.010 . 2 . . . . 1799 GLU HB3 . 16031 1 188 . 1 1 50 50 GLU C C 13 175.904 0.012 . 1 . . . . 1799 GLU C . 16031 1 189 . 1 1 50 50 GLU CA C 13 56.931 0.018 . 1 . . . . 1799 GLU CA . 16031 1 190 . 1 1 50 50 GLU CB C 13 27.424 0.002 . 1 . . . . 1799 GLU CB . 16031 1 191 . 1 1 50 50 GLU N N 15 115.046 0.025 . 1 . . . . 1799 GLU N . 16031 1 192 . 1 1 51 51 LYS H H 1 7.383 0.003 . 1 . . . . 1800 LYS H . 16031 1 193 . 1 1 51 51 LYS HA H 1 3.871 0.010 . 1 . . . . 1800 LYS HA . 16031 1 194 . 1 1 51 51 LYS HB2 H 1 1.972 0.010 . 2 . . . . 1800 LYS HB2 . 16031 1 195 . 1 1 51 51 LYS HB3 H 1 1.652 0.010 . 2 . . . . 1800 LYS HB3 . 16031 1 196 . 1 1 51 51 LYS C C 13 175.822 0.014 . 1 . . . . 1800 LYS C . 16031 1 197 . 1 1 51 51 LYS CA C 13 56.176 0.031 . 1 . . . . 1800 LYS CA . 16031 1 198 . 1 1 51 51 LYS CB C 13 29.576 0.100 . 1 . . . . 1800 LYS CB . 16031 1 199 . 1 1 51 51 LYS N N 15 115.520 0.026 . 1 . . . . 1800 LYS N . 16031 1 200 . 1 1 52 52 PHE H H 1 7.346 0.004 . 1 . . . . 1801 PHE H . 16031 1 201 . 1 1 52 52 PHE HA H 1 4.038 0.010 . 1 . . . . 1801 PHE HA . 16031 1 202 . 1 1 52 52 PHE HB2 H 1 2.659 0.010 . 2 . . . . 1801 PHE HB2 . 16031 1 203 . 1 1 52 52 PHE HB3 H 1 2.159 0.010 . 2 . . . . 1801 PHE HB3 . 16031 1 204 . 1 1 52 52 PHE C C 13 171.972 0.003 . 1 . . . . 1801 PHE C . 16031 1 205 . 1 1 52 52 PHE CA C 13 56.821 0.017 . 1 . . . . 1801 PHE CA . 16031 1 206 . 1 1 52 52 PHE CB C 13 37.828 0.100 . 1 . . . . 1801 PHE CB . 16031 1 207 . 1 1 52 52 PHE N N 15 115.954 0.038 . 1 . . . . 1801 PHE N . 16031 1 208 . 1 1 53 53 ASP H H 1 7.746 0.002 . 1 . . . . 1802 ASP H . 16031 1 209 . 1 1 53 53 ASP C C 13 171.356 0.100 . 1 . . . . 1802 ASP C . 16031 1 210 . 1 1 53 53 ASP CA C 13 49.382 0.036 . 1 . . . . 1802 ASP CA . 16031 1 211 . 1 1 53 53 ASP CB C 13 37.098 0.100 . 1 . . . . 1802 ASP CB . 16031 1 212 . 1 1 53 53 ASP N N 15 119.232 0.021 . 1 . . . . 1802 ASP N . 16031 1 213 . 1 1 54 54 PRO HA H 1 4.507 0.010 . 1 . . . . 1803 PRO HA . 16031 1 214 . 1 1 54 54 PRO HB2 H 1 2.274 0.010 . 2 . . . . 1803 PRO HB2 . 16031 1 215 . 1 1 54 54 PRO HB3 H 1 1.939 0.010 . 2 . . . . 1803 PRO HB3 . 16031 1 216 . 1 1 54 54 PRO C C 13 176.500 0.100 . 1 . . . . 1803 PRO C . 16031 1 217 . 1 1 54 54 PRO CA C 13 62.930 0.044 . 1 . . . . 1803 PRO CA . 16031 1 218 . 1 1 54 54 PRO CB C 13 29.590 0.100 . 1 . . . . 1803 PRO CB . 16031 1 219 . 1 1 55 55 GLU H H 1 8.927 0.002 . 1 . . . . 1804 GLU H . 16031 1 220 . 1 1 55 55 GLU HB2 H 1 2.224 0.010 . 2 . . . . 1804 GLU HB2 . 16031 1 221 . 1 1 55 55 GLU C C 13 173.420 0.100 . 1 . . . . 1804 GLU C . 16031 1 222 . 1 1 55 55 GLU CA C 13 53.537 0.055 . 1 . . . . 1804 GLU CA . 16031 1 223 . 1 1 55 55 GLU CB C 13 26.238 0.026 . 1 . . . . 1804 GLU CB . 16031 1 224 . 1 1 55 55 GLU N N 15 116.468 0.022 . 1 . . . . 1804 GLU N . 16031 1 225 . 1 1 56 56 ALA H H 1 8.233 0.001 . 1 . . . . 1805 ALA H . 16031 1 226 . 1 1 56 56 ALA HA H 1 4.225 0.010 . 1 . . . . 1805 ALA HA . 16031 1 227 . 1 1 56 56 ALA HB1 H 1 1.338 0.010 . 1 . . . . 1805 ALA MB . 16031 1 228 . 1 1 56 56 ALA HB2 H 1 1.338 0.010 . 1 . . . . 1805 ALA MB . 16031 1 229 . 1 1 56 56 ALA HB3 H 1 1.338 0.010 . 1 . . . . 1805 ALA MB . 16031 1 230 . 1 1 56 56 ALA C C 13 175.334 0.100 . 1 . . . . 1805 ALA C . 16031 1 231 . 1 1 56 56 ALA CA C 13 51.109 0.100 . 1 . . . . 1805 ALA CA . 16031 1 232 . 1 1 56 56 ALA CB C 13 13.716 0.003 . 1 . . . . 1805 ALA CB . 16031 1 233 . 1 1 56 56 ALA N N 15 121.896 0.014 . 1 . . . . 1805 ALA N . 16031 1 234 . 1 1 57 57 THR H H 1 9.766 0.003 . 1 . . . . 1806 THR H . 16031 1 235 . 1 1 57 57 THR HA H 1 4.181 0.010 . 1 . . . . 1806 THR HA . 16031 1 236 . 1 1 57 57 THR HB H 1 4.397 0.010 . 1 . . . . 1806 THR HB . 16031 1 237 . 1 1 57 57 THR C C 13 174.785 0.004 . 1 . . . . 1806 THR C . 16031 1 238 . 1 1 57 57 THR CA C 13 62.265 0.039 . 1 . . . . 1806 THR CA . 16031 1 239 . 1 1 57 57 THR CB C 13 68.886 0.009 . 1 . . . . 1806 THR CB . 16031 1 240 . 1 1 57 57 THR N N 15 113.970 0.029 . 1 . . . . 1806 THR N . 16031 1 241 . 1 1 58 58 GLN H H 1 10.443 0.002 . 1 . . . . 1807 GLN H . 16031 1 242 . 1 1 58 58 GLN HA H 1 3.508 0.010 . 1 . . . . 1807 GLN HA . 16031 1 243 . 1 1 58 58 GLN HB2 H 1 1.695 0.010 . 2 . . . . 1807 GLN HB2 . 16031 1 244 . 1 1 58 58 GLN HB3 H 1 2.258 0.010 . 2 . . . . 1807 GLN HB3 . 16031 1 245 . 1 1 58 58 GLN C C 13 170.643 0.013 . 1 . . . . 1807 GLN C . 16031 1 246 . 1 1 58 58 GLN CA C 13 56.197 0.005 . 1 . . . . 1807 GLN CA . 16031 1 247 . 1 1 58 58 GLN CB C 13 24.264 0.014 . 1 . . . . 1807 GLN CB . 16031 1 248 . 1 1 58 58 GLN N N 15 113.293 0.025 . 1 . . . . 1807 GLN N . 16031 1 249 . 1 1 59 59 PHE H H 1 8.388 0.003 . 1 . . . . 1808 PHE H . 16031 1 250 . 1 1 59 59 PHE HA H 1 5.531 0.010 . 1 . . . . 1808 PHE HA . 16031 1 251 . 1 1 59 59 PHE HB2 H 1 2.700 0.010 . 2 . . . . 1808 PHE QB . 16031 1 252 . 1 1 59 59 PHE HB3 H 1 2.700 0.010 . 2 . . . . 1808 PHE QB . 16031 1 253 . 1 1 59 59 PHE C C 13 172.575 0.004 . 1 . . . . 1808 PHE C . 16031 1 254 . 1 1 59 59 PHE CA C 13 54.583 0.100 . 1 . . . . 1808 PHE CA . 16031 1 255 . 1 1 59 59 PHE CB C 13 41.892 0.012 . 1 . . . . 1808 PHE CB . 16031 1 256 . 1 1 59 59 PHE N N 15 117.021 0.019 . 1 . . . . 1808 PHE N . 16031 1 257 . 1 1 60 60 ILE H H 1 8.411 0.003 . 1 . . . . 1809 ILE H . 16031 1 258 . 1 1 60 60 ILE HB H 1 1.309 0.010 . 1 . . . . 1809 ILE HB . 16031 1 259 . 1 1 60 60 ILE C C 13 172.374 0.003 . 1 . . . . 1809 ILE C . 16031 1 260 . 1 1 60 60 ILE CA C 13 57.061 0.062 . 1 . . . . 1809 ILE CA . 16031 1 261 . 1 1 60 60 ILE CB C 13 39.550 0.015 . 1 . . . . 1809 ILE CB . 16031 1 262 . 1 1 60 60 ILE N N 15 112.166 0.023 . 1 . . . . 1809 ILE N . 16031 1 263 . 1 1 61 61 GLU H H 1 8.310 0.009 . 1 . . . . 1810 GLU H . 16031 1 264 . 1 1 61 61 GLU HA H 1 4.543 0.010 . 1 . . . . 1810 GLU HA . 16031 1 265 . 1 1 61 61 GLU HB2 H 1 2.266 0.010 . 2 . . . . 1810 GLU HB2 . 16031 1 266 . 1 1 61 61 GLU HB3 H 1 1.922 0.010 . 2 . . . . 1810 GLU HB3 . 16031 1 267 . 1 1 61 61 GLU C C 13 175.546 0.004 . 1 . . . . 1810 GLU C . 16031 1 268 . 1 1 61 61 GLU CA C 13 54.230 0.016 . 1 . . . . 1810 GLU CA . 16031 1 269 . 1 1 61 61 GLU CB C 13 28.692 0.025 . 1 . . . . 1810 GLU CB . 16031 1 270 . 1 1 61 61 GLU N N 15 121.853 0.064 . 1 . . . . 1810 GLU N . 16031 1 271 . 1 1 62 62 TYR H H 1 9.047 0.003 . 1 . . . . 1811 TYR H . 16031 1 272 . 1 1 62 62 TYR HA H 1 3.908 0.010 . 1 . . . . 1811 TYR HA . 16031 1 273 . 1 1 62 62 TYR HB2 H 1 3.182 0.010 . 2 . . . . 1811 TYR HB2 . 16031 1 274 . 1 1 62 62 TYR HB3 H 1 3.056 0.010 . 2 . . . . 1811 TYR HB3 . 16031 1 275 . 1 1 62 62 TYR C C 13 175.707 0.002 . 1 . . . . 1811 TYR C . 16031 1 276 . 1 1 62 62 TYR CA C 13 59.444 0.046 . 1 . . . . 1811 TYR CA . 16031 1 277 . 1 1 62 62 TYR CB C 13 36.260 0.005 . 1 . . . . 1811 TYR CB . 16031 1 278 . 1 1 62 62 TYR N N 15 123.169 0.100 . 1 . . . . 1811 TYR N . 16031 1 279 . 1 1 63 63 SER H H 1 8.586 0.001 . 1 . . . . 1812 SER H . 16031 1 280 . 1 1 63 63 SER HA H 1 3.972 0.010 . 1 . . . . 1812 SER HA . 16031 1 281 . 1 1 63 63 SER C C 13 173.544 0.100 . 1 . . . . 1812 SER C . 16031 1 282 . 1 1 63 63 SER CA C 13 58.825 0.002 . 1 . . . . 1812 SER CA . 16031 1 283 . 1 1 63 63 SER CB C 13 60.273 0.001 . 1 . . . . 1812 SER CB . 16031 1 284 . 1 1 63 63 SER N N 15 110.997 0.017 . 1 . . . . 1812 SER N . 16031 1 285 . 1 1 64 64 VAL H H 1 7.449 0.002 . 1 . . . . 1813 VAL H . 16031 1 286 . 1 1 64 64 VAL HA H 1 4.643 0.010 . 1 . . . . 1813 VAL HA . 16031 1 287 . 1 1 64 64 VAL HB H 1 2.564 0.010 . 1 . . . . 1813 VAL HB . 16031 1 288 . 1 1 64 64 VAL C C 13 173.670 0.005 . 1 . . . . 1813 VAL C . 16031 1 289 . 1 1 64 64 VAL CA C 13 59.123 0.100 . 1 . . . . 1813 VAL CA . 16031 1 290 . 1 1 64 64 VAL CB C 13 30.068 0.002 . 1 . . . . 1813 VAL CB . 16031 1 291 . 1 1 64 64 VAL N N 15 116.235 0.029 . 1 . . . . 1813 VAL N . 16031 1 292 . 1 1 65 65 LEU H H 1 7.644 0.001 . 1 . . . . 1814 LEU H . 16031 1 293 . 1 1 65 65 LEU HA H 1 3.813 0.010 . 1 . . . . 1814 LEU HA . 16031 1 294 . 1 1 65 65 LEU HB2 H 1 1.699 0.010 . 2 . . . . 1814 LEU HB2 . 16031 1 295 . 1 1 65 65 LEU HB3 H 1 1.272 0.010 . 2 . . . . 1814 LEU HB3 . 16031 1 296 . 1 1 65 65 LEU C C 13 174.987 0.003 . 1 . . . . 1814 LEU C . 16031 1 297 . 1 1 65 65 LEU CA C 13 55.779 0.007 . 1 . . . . 1814 LEU CA . 16031 1 298 . 1 1 65 65 LEU CB C 13 39.887 0.012 . 1 . . . . 1814 LEU CB . 16031 1 299 . 1 1 65 65 LEU N N 15 123.860 0.029 . 1 . . . . 1814 LEU N . 16031 1 300 . 1 1 66 66 SER H H 1 8.339 0.002 . 1 . . . . 1815 SER H . 16031 1 301 . 1 1 66 66 SER HA H 1 3.880 0.010 . 1 . . . . 1815 SER HA . 16031 1 302 . 1 1 66 66 SER C C 13 175.635 0.100 . 1 . . . . 1815 SER C . 16031 1 303 . 1 1 66 66 SER CA C 13 58.965 0.011 . 1 . . . . 1815 SER CA . 16031 1 304 . 1 1 66 66 SER CB C 13 60.174 0.006 . 1 . . . . 1815 SER CB . 16031 1 305 . 1 1 66 66 SER N N 15 111.395 0.011 . 1 . . . . 1815 SER N . 16031 1 306 . 1 1 67 67 ASP H H 1 7.683 0.005 . 1 . . . . 1816 ASP H . 16031 1 307 . 1 1 67 67 ASP HA H 1 4.209 0.010 . 1 . . . . 1816 ASP HA . 16031 1 308 . 1 1 67 67 ASP HB2 H 1 2.897 0.010 . 2 . . . . 1816 ASP HB2 . 16031 1 309 . 1 1 67 67 ASP HB3 H 1 2.757 0.010 . 2 . . . . 1816 ASP HB3 . 16031 1 310 . 1 1 67 67 ASP C C 13 175.880 0.100 . 1 . . . . 1816 ASP C . 16031 1 311 . 1 1 67 67 ASP CA C 13 55.071 0.100 . 1 . . . . 1816 ASP CA . 16031 1 312 . 1 1 67 67 ASP CB C 13 38.055 0.070 . 1 . . . . 1816 ASP CB . 16031 1 313 . 1 1 67 67 ASP N N 15 119.923 0.028 . 1 . . . . 1816 ASP N . 16031 1 314 . 1 1 68 68 PHE H H 1 8.076 0.002 . 1 . . . . 1817 PHE H . 16031 1 315 . 1 1 68 68 PHE HA H 1 3.058 0.010 . 1 . . . . 1817 PHE HA . 16031 1 316 . 1 1 68 68 PHE HB2 H 1 2.525 0.010 . 2 . . . . 1817 PHE HB2 . 16031 1 317 . 1 1 68 68 PHE HB3 H 1 1.703 0.010 . 2 . . . . 1817 PHE HB3 . 16031 1 318 . 1 1 68 68 PHE C C 13 173.060 0.100 . 1 . . . . 1817 PHE C . 16031 1 319 . 1 1 68 68 PHE CA C 13 58.861 0.024 . 1 . . . . 1817 PHE CA . 16031 1 320 . 1 1 68 68 PHE CB C 13 36.362 0.003 . 1 . . . . 1817 PHE CB . 16031 1 321 . 1 1 68 68 PHE N N 15 122.344 0.038 . 1 . . . . 1817 PHE N . 16031 1 322 . 1 1 69 69 ALA H H 1 8.677 0.010 . 1 . . . . 1818 ALA H . 16031 1 323 . 1 1 69 69 ALA C C 13 176.624 0.003 . 1 . . . . 1818 ALA C . 16031 1 324 . 1 1 69 69 ALA CA C 13 52.300 0.011 . 1 . . . . 1818 ALA CA . 16031 1 325 . 1 1 69 69 ALA CB C 13 16.659 0.100 . 1 . . . . 1818 ALA CB . 16031 1 326 . 1 1 69 69 ALA N N 15 117.604 0.009 . 1 . . . . 1818 ALA N . 16031 1 327 . 1 1 70 70 ASP H H 1 7.037 0.004 . 1 . . . . 1819 ASP H . 16031 1 328 . 1 1 70 70 ASP HA H 1 4.253 0.010 . 1 . . . . 1819 ASP HA . 16031 1 329 . 1 1 70 70 ASP HB3 H 1 2.526 0.010 . 2 . . . . 1819 ASP HB3 . 16031 1 330 . 1 1 70 70 ASP C C 13 173.441 0.004 . 1 . . . . 1819 ASP C . 16031 1 331 . 1 1 70 70 ASP CA C 13 53.834 0.042 . 1 . . . . 1819 ASP CA . 16031 1 332 . 1 1 70 70 ASP CB C 13 42.751 0.004 . 1 . . . . 1819 ASP CB . 16031 1 333 . 1 1 70 70 ASP N N 15 112.904 0.014 . 1 . . . . 1819 ASP N . 16031 1 334 . 1 1 71 71 ALA H H 1 7.332 0.001 . 1 . . . . 1820 ALA H . 16031 1 335 . 1 1 71 71 ALA HA H 1 4.101 0.010 . 1 . . . . 1820 ALA HA . 16031 1 336 . 1 1 71 71 ALA HB1 H 1 1.461 0.010 . 1 . . . . 1820 ALA MB . 16031 1 337 . 1 1 71 71 ALA HB2 H 1 1.461 0.010 . 1 . . . . 1820 ALA MB . 16031 1 338 . 1 1 71 71 ALA HB3 H 1 1.461 0.010 . 1 . . . . 1820 ALA MB . 16031 1 339 . 1 1 71 71 ALA C C 13 175.507 0.100 . 1 . . . . 1820 ALA C . 16031 1 340 . 1 1 71 71 ALA CA C 13 50.368 0.017 . 1 . . . . 1820 ALA CA . 16031 1 341 . 1 1 71 71 ALA CB C 13 17.053 0.003 . 1 . . . . 1820 ALA CB . 16031 1 342 . 1 1 71 71 ALA N N 15 119.791 0.026 . 1 . . . . 1820 ALA N . 16031 1 343 . 1 1 72 72 LEU H H 1 6.242 0.004 . 1 . . . . 1821 LEU H . 16031 1 344 . 1 1 72 72 LEU HA H 1 3.936 0.010 . 1 . . . . 1821 LEU HA . 16031 1 345 . 1 1 72 72 LEU C C 13 173.513 0.100 . 1 . . . . 1821 LEU C . 16031 1 346 . 1 1 72 72 LEU CA C 13 52.313 0.017 . 1 . . . . 1821 LEU CA . 16031 1 347 . 1 1 72 72 LEU CB C 13 41.115 0.005 . 1 . . . . 1821 LEU CB . 16031 1 348 . 1 1 72 72 LEU N N 15 115.588 0.031 . 1 . . . . 1821 LEU N . 16031 1 349 . 1 1 73 73 SER H H 1 7.986 0.003 . 1 . . . . 1822 SER H . 16031 1 350 . 1 1 73 73 SER C C 13 174.058 0.005 . 1 . . . . 1822 SER C . 16031 1 351 . 1 1 73 73 SER CA C 13 55.329 0.041 . 1 . . . . 1822 SER CA . 16031 1 352 . 1 1 73 73 SER CB C 13 61.954 0.003 . 1 . . . . 1822 SER CB . 16031 1 353 . 1 1 73 73 SER N N 15 113.226 0.019 . 1 . . . . 1822 SER N . 16031 1 354 . 1 1 74 74 GLU H H 1 9.058 0.002 . 1 . . . . 1823 GLU H . 16031 1 355 . 1 1 74 74 GLU C C 13 173.423 0.100 . 1 . . . . 1823 GLU C . 16031 1 356 . 1 1 74 74 GLU CA C 13 54.919 0.100 . 1 . . . . 1823 GLU CA . 16031 1 357 . 1 1 74 74 GLU CB C 13 25.661 0.100 . 1 . . . . 1823 GLU CB . 16031 1 358 . 1 1 74 74 GLU N N 15 124.576 0.031 . 1 . . . . 1823 GLU N . 16031 1 359 . 1 1 75 75 PRO HA H 1 4.737 0.010 . 1 . . . . 1824 PRO HA . 16031 1 360 . 1 1 75 75 PRO HB2 H 1 2.171 0.010 . 2 . . . . 1824 PRO QB . 16031 1 361 . 1 1 75 75 PRO HB3 H 1 2.171 0.010 . 2 . . . . 1824 PRO QB . 16031 1 362 . 1 1 75 75 PRO C C 13 173.035 0.100 . 1 . . . . 1824 PRO C . 16031 1 363 . 1 1 75 75 PRO CA C 13 61.275 0.100 . 1 . . . . 1824 PRO CA . 16031 1 364 . 1 1 75 75 PRO CB C 13 31.921 0.100 . 1 . . . . 1824 PRO CB . 16031 1 365 . 1 1 76 76 LEU H H 1 7.502 0.003 . 1 . . . . 1825 LEU H . 16031 1 366 . 1 1 76 76 LEU HA H 1 3.935 0.010 . 1 . . . . 1825 LEU HA . 16031 1 367 . 1 1 76 76 LEU HB2 H 1 1.430 0.010 . 2 . . . . 1825 LEU HB2 . 16031 1 368 . 1 1 76 76 LEU HB3 H 1 1.754 0.010 . 2 . . . . 1825 LEU HB3 . 16031 1 369 . 1 1 76 76 LEU C C 13 173.105 0.001 . 1 . . . . 1825 LEU C . 16031 1 370 . 1 1 76 76 LEU CA C 13 54.519 0.008 . 1 . . . . 1825 LEU CA . 16031 1 371 . 1 1 76 76 LEU CB C 13 41.680 0.031 . 1 . . . . 1825 LEU CB . 16031 1 372 . 1 1 76 76 LEU N N 15 121.733 0.022 . 1 . . . . 1825 LEU N . 16031 1 373 . 1 1 77 77 ARG H H 1 6.605 0.004 . 1 . . . . 1826 ARG H . 16031 1 374 . 1 1 77 77 ARG HA H 1 3.654 0.010 . 1 . . . . 1826 ARG HA . 16031 1 375 . 1 1 77 77 ARG HB2 H 1 1.146 0.010 . 2 . . . . 1826 ARG HB2 . 16031 1 376 . 1 1 77 77 ARG HB3 H 1 1.037 0.010 . 2 . . . . 1826 ARG HB3 . 16031 1 377 . 1 1 77 77 ARG C C 13 172.957 0.003 . 1 . . . . 1826 ARG C . 16031 1 378 . 1 1 77 77 ARG CA C 13 54.685 0.019 . 1 . . . . 1826 ARG CA . 16031 1 379 . 1 1 77 77 ARG CB C 13 28.904 0.001 . 1 . . . . 1826 ARG CB . 16031 1 380 . 1 1 77 77 ARG N N 15 115.196 0.017 . 1 . . . . 1826 ARG N . 16031 1 381 . 1 1 78 78 ILE H H 1 7.060 0.003 . 1 . . . . 1827 ILE H . 16031 1 382 . 1 1 78 78 ILE HA H 1 3.941 0.010 . 1 . . . . 1827 ILE HA . 16031 1 383 . 1 1 78 78 ILE HB H 1 1.413 0.010 . 1 . . . . 1827 ILE HB . 16031 1 384 . 1 1 78 78 ILE C C 13 172.499 0.100 . 1 . . . . 1827 ILE C . 16031 1 385 . 1 1 78 78 ILE CA C 13 58.339 0.021 . 1 . . . . 1827 ILE CA . 16031 1 386 . 1 1 78 78 ILE CB C 13 35.001 0.009 . 1 . . . . 1827 ILE CB . 16031 1 387 . 1 1 78 78 ILE N N 15 125.398 0.025 . 1 . . . . 1827 ILE N . 16031 1 388 . 1 1 79 79 ALA H H 1 8.407 0.001 . 1 . . . . 1828 ALA H . 16031 1 389 . 1 1 79 79 ALA HA H 1 4.358 0.010 . 1 . . . . 1828 ALA HA . 16031 1 390 . 1 1 79 79 ALA HB1 H 1 1.141 0.010 . 1 . . . . 1828 ALA MB . 16031 1 391 . 1 1 79 79 ALA HB2 H 1 1.141 0.010 . 1 . . . . 1828 ALA MB . 16031 1 392 . 1 1 79 79 ALA HB3 H 1 1.141 0.010 . 1 . . . . 1828 ALA MB . 16031 1 393 . 1 1 79 79 ALA C C 13 176.261 0.001 . 1 . . . . 1828 ALA C . 16031 1 394 . 1 1 79 79 ALA CA C 13 50.101 0.041 . 1 . . . . 1828 ALA CA . 16031 1 395 . 1 1 79 79 ALA CB C 13 16.224 0.009 . 1 . . . . 1828 ALA CB . 16031 1 396 . 1 1 79 79 ALA N N 15 128.817 0.027 . 1 . . . . 1828 ALA N . 16031 1 397 . 1 1 80 80 LYS H H 1 8.332 0.002 . 1 . . . . 1829 LYS H . 16031 1 398 . 1 1 80 80 LYS C C 13 173.033 0.100 . 1 . . . . 1829 LYS C . 16031 1 399 . 1 1 80 80 LYS CA C 13 53.906 0.100 . 1 . . . . 1829 LYS CA . 16031 1 400 . 1 1 80 80 LYS CB C 13 29.905 0.100 . 1 . . . . 1829 LYS CB . 16031 1 401 . 1 1 80 80 LYS N N 15 119.422 0.066 . 1 . . . . 1829 LYS N . 16031 1 402 . 1 1 83 83 GLN HA H 1 4.187 0.010 . 1 . . . . 1832 GLN HA . 16031 1 403 . 1 1 83 83 GLN HB2 H 1 2.207 0.010 . 2 . . . . 1832 GLN HB2 . 16031 1 404 . 1 1 83 83 GLN HB3 H 1 1.885 0.010 . 2 . . . . 1832 GLN HB3 . 16031 1 405 . 1 1 83 83 GLN C C 13 176.044 0.100 . 1 . . . . 1832 GLN C . 16031 1 406 . 1 1 84 84 ILE H H 1 8.248 0.012 . 1 . . . . 1833 ILE H . 16031 1 407 . 1 1 84 84 ILE HA H 1 3.727 0.010 . 1 . . . . 1833 ILE HA . 16031 1 408 . 1 1 84 84 ILE HB H 1 1.795 0.010 . 1 . . . . 1833 ILE HB . 16031 1 409 . 1 1 84 84 ILE C C 13 175.556 0.032 . 1 . . . . 1833 ILE C . 16031 1 410 . 1 1 84 84 ILE CA C 13 61.614 0.100 . 1 . . . . 1833 ILE CA . 16031 1 411 . 1 1 84 84 ILE N N 15 117.994 0.025 . 1 . . . . 1833 ILE N . 16031 1 412 . 1 1 85 85 SER H H 1 7.472 0.003 . 1 . . . . 1834 SER H . 16031 1 413 . 1 1 85 85 SER HA H 1 4.072 0.010 . 1 . . . . 1834 SER HA . 16031 1 414 . 1 1 85 85 SER HB2 H 1 3.576 0.010 . 2 . . . . 1834 SER HB2 . 16031 1 415 . 1 1 85 85 SER HB3 H 1 3.682 0.010 . 2 . . . . 1834 SER HB3 . 16031 1 416 . 1 1 85 85 SER C C 13 174.183 0.100 . 1 . . . . 1834 SER C . 16031 1 417 . 1 1 85 85 SER CA C 13 59.984 0.037 . 1 . . . . 1834 SER CA . 16031 1 418 . 1 1 85 85 SER N N 15 115.106 0.024 . 1 . . . . 1834 SER N . 16031 1 419 . 1 1 86 86 LEU H H 1 7.627 0.004 . 1 . . . . 1835 LEU H . 16031 1 420 . 1 1 86 86 LEU C C 13 177.931 0.014 . 1 . . . . 1835 LEU C . 16031 1 421 . 1 1 86 86 LEU CA C 13 55.404 0.100 . 1 . . . . 1835 LEU CA . 16031 1 422 . 1 1 86 86 LEU CB C 13 39.025 0.100 . 1 . . . . 1835 LEU CB . 16031 1 423 . 1 1 86 86 LEU N N 15 119.335 0.054 . 1 . . . . 1835 LEU N . 16031 1 424 . 1 1 87 87 ILE H H 1 8.290 0.010 . 1 . . . . 1836 ILE H . 16031 1 425 . 1 1 87 87 ILE HA H 1 3.852 0.010 . 1 . . . . 1836 ILE HA . 16031 1 426 . 1 1 87 87 ILE HB H 1 1.918 0.010 . 1 . . . . 1836 ILE HB . 16031 1 427 . 1 1 87 87 ILE C C 13 176.740 0.032 . 1 . . . . 1836 ILE C . 16031 1 428 . 1 1 87 87 ILE CA C 13 62.444 0.017 . 1 . . . . 1836 ILE CA . 16031 1 429 . 1 1 87 87 ILE N N 15 121.250 0.016 . 1 . . . . 1836 ILE N . 16031 1 430 . 1 1 88 88 ASN H H 1 7.723 0.005 . 1 . . . . 1837 ASN H . 16031 1 431 . 1 1 88 88 ASN HA H 1 4.533 0.010 . 1 . . . . 1837 ASN HA . 16031 1 432 . 1 1 88 88 ASN HB2 H 1 2.830 0.010 . 2 . . . . 1837 ASN HB2 . 16031 1 433 . 1 1 88 88 ASN HB3 H 1 2.745 0.010 . 2 . . . . 1837 ASN HB3 . 16031 1 434 . 1 1 88 88 ASN C C 13 173.592 0.016 . 1 . . . . 1837 ASN C . 16031 1 435 . 1 1 88 88 ASN CA C 13 52.002 0.015 . 1 . . . . 1837 ASN CA . 16031 1 436 . 1 1 88 88 ASN CB C 13 36.123 0.100 . 1 . . . . 1837 ASN CB . 16031 1 437 . 1 1 88 88 ASN N N 15 117.052 0.046 . 1 . . . . 1837 ASN N . 16031 1 438 . 1 1 89 89 MET H H 1 7.376 0.002 . 1 . . . . 1838 MET H . 16031 1 439 . 1 1 89 89 MET C C 13 173.120 0.100 . 1 . . . . 1838 MET C . 16031 1 440 . 1 1 89 89 MET CA C 13 55.615 0.044 . 1 . . . . 1838 MET CA . 16031 1 441 . 1 1 89 89 MET CB C 13 31.030 0.100 . 1 . . . . 1838 MET CB . 16031 1 442 . 1 1 89 89 MET N N 15 118.055 0.025 . 1 . . . . 1838 MET N . 16031 1 443 . 1 1 90 90 ASP H H 1 7.913 0.003 . 1 . . . . 1839 ASP H . 16031 1 444 . 1 1 90 90 ASP HA H 1 4.330 0.010 . 1 . . . . 1839 ASP HA . 16031 1 445 . 1 1 90 90 ASP HB2 H 1 2.909 0.010 . 2 . . . . 1839 ASP HB2 . 16031 1 446 . 1 1 90 90 ASP HB3 H 1 2.297 0.010 . 2 . . . . 1839 ASP HB3 . 16031 1 447 . 1 1 90 90 ASP C C 13 172.957 0.171 . 1 . . . . 1839 ASP C . 16031 1 448 . 1 1 90 90 ASP CA C 13 51.895 0.038 . 1 . . . . 1839 ASP CA . 16031 1 449 . 1 1 90 90 ASP CB C 13 37.087 0.021 . 1 . . . . 1839 ASP CB . 16031 1 450 . 1 1 90 90 ASP N N 15 119.119 0.095 . 1 . . . . 1839 ASP N . 16031 1 451 . 1 1 91 91 LEU H H 1 8.730 0.004 . 1 . . . . 1840 LEU H . 16031 1 452 . 1 1 91 91 LEU C C 13 172.684 0.100 . 1 . . . . 1840 LEU C . 16031 1 453 . 1 1 91 91 LEU CA C 13 50.766 0.100 . 1 . . . . 1840 LEU CA . 16031 1 454 . 1 1 91 91 LEU CB C 13 39.340 0.100 . 1 . . . . 1840 LEU CB . 16031 1 455 . 1 1 91 91 LEU N N 15 121.397 0.027 . 1 . . . . 1840 LEU N . 16031 1 456 . 1 1 92 92 PRO C C 13 173.702 0.100 . 1 . . . . 1841 PRO C . 16031 1 457 . 1 1 92 92 PRO CA C 13 60.400 0.100 . 1 . . . . 1841 PRO CA . 16031 1 458 . 1 1 93 93 MET H H 1 8.234 0.002 . 1 . . . . 1842 MET H . 16031 1 459 . 1 1 93 93 MET HA H 1 5.118 0.010 . 1 . . . . 1842 MET HA . 16031 1 460 . 1 1 93 93 MET HB2 H 1 1.858 0.010 . 2 . . . . 1842 MET QB . 16031 1 461 . 1 1 93 93 MET HB3 H 1 1.858 0.010 . 2 . . . . 1842 MET QB . 16031 1 462 . 1 1 93 93 MET C C 13 174.657 0.001 . 1 . . . . 1842 MET C . 16031 1 463 . 1 1 93 93 MET CA C 13 52.201 0.003 . 1 . . . . 1842 MET CA . 16031 1 464 . 1 1 93 93 MET CB C 13 33.849 0.004 . 1 . . . . 1842 MET CB . 16031 1 465 . 1 1 93 93 MET N N 15 121.156 0.031 . 1 . . . . 1842 MET N . 16031 1 466 . 1 1 94 94 VAL H H 1 8.924 0.002 . 1 . . . . 1843 VAL H . 16031 1 467 . 1 1 94 94 VAL HA H 1 4.509 0.010 . 1 . . . . 1843 VAL HA . 16031 1 468 . 1 1 94 94 VAL HB H 1 2.179 0.010 . 1 . . . . 1843 VAL HB . 16031 1 469 . 1 1 94 94 VAL C C 13 173.517 0.004 . 1 . . . . 1843 VAL C . 16031 1 470 . 1 1 94 94 VAL CA C 13 57.858 0.020 . 1 . . . . 1843 VAL CA . 16031 1 471 . 1 1 94 94 VAL CB C 13 31.418 0.008 . 1 . . . . 1843 VAL CB . 16031 1 472 . 1 1 94 94 VAL N N 15 118.272 0.022 . 1 . . . . 1843 VAL N . 16031 1 473 . 1 1 95 95 SER H H 1 8.142 0.003 . 1 . . . . 1844 SER H . 16031 1 474 . 1 1 95 95 SER HA H 1 4.067 0.010 . 1 . . . . 1844 SER HA . 16031 1 475 . 1 1 95 95 SER HB2 H 1 3.776 0.010 . 2 . . . . 1844 SER QB . 16031 1 476 . 1 1 95 95 SER HB3 H 1 3.776 0.010 . 2 . . . . 1844 SER QB . 16031 1 477 . 1 1 95 95 SER C C 13 172.406 0.100 . 1 . . . . 1844 SER C . 16031 1 478 . 1 1 95 95 SER CA C 13 57.096 0.100 . 1 . . . . 1844 SER CA . 16031 1 479 . 1 1 95 95 SER CB C 13 60.716 0.006 . 1 . . . . 1844 SER CB . 16031 1 480 . 1 1 95 95 SER N N 15 114.589 0.025 . 1 . . . . 1844 SER N . 16031 1 481 . 1 1 96 96 GLY H H 1 8.641 0.003 . 1 . . . . 1845 GLY H . 16031 1 482 . 1 1 96 96 GLY HA2 H 1 4.044 0.010 . 2 . . . . 1845 GLY HA2 . 16031 1 483 . 1 1 96 96 GLY HA3 H 1 3.568 0.010 . 2 . . . . 1845 GLY HA3 . 16031 1 484 . 1 1 96 96 GLY C C 13 171.961 0.005 . 1 . . . . 1845 GLY C . 16031 1 485 . 1 1 96 96 GLY CA C 13 43.227 0.100 . 1 . . . . 1845 GLY CA . 16031 1 486 . 1 1 96 96 GLY N N 15 111.352 0.041 . 1 . . . . 1845 GLY N . 16031 1 487 . 1 1 97 97 ASP H H 1 8.292 0.002 . 1 . . . . 1846 ASP H . 16031 1 488 . 1 1 97 97 ASP HA H 1 4.482 0.010 . 1 . . . . 1846 ASP HA . 16031 1 489 . 1 1 97 97 ASP HB2 H 1 3.005 0.010 . 2 . . . . 1846 ASP HB2 . 16031 1 490 . 1 1 97 97 ASP HB3 H 1 2.844 0.010 . 2 . . . . 1846 ASP HB3 . 16031 1 491 . 1 1 97 97 ASP C C 13 171.993 0.024 . 1 . . . . 1846 ASP C . 16031 1 492 . 1 1 97 97 ASP CA C 13 52.646 0.100 . 1 . . . . 1846 ASP CA . 16031 1 493 . 1 1 97 97 ASP CB C 13 37.075 0.002 . 1 . . . . 1846 ASP CB . 16031 1 494 . 1 1 97 97 ASP N N 15 118.735 0.014 . 1 . . . . 1846 ASP N . 16031 1 495 . 1 1 98 98 ARG H H 1 7.263 0.003 . 1 . . . . 1847 ARG H . 16031 1 496 . 1 1 98 98 ARG HA H 1 5.053 0.010 . 1 . . . . 1847 ARG HA . 16031 1 497 . 1 1 98 98 ARG HB2 H 1 1.422 0.010 . 2 . . . . 1847 ARG QB . 16031 1 498 . 1 1 98 98 ARG HB3 H 1 1.422 0.010 . 2 . . . . 1847 ARG QB . 16031 1 499 . 1 1 98 98 ARG C C 13 172.927 0.002 . 1 . . . . 1847 ARG C . 16031 1 500 . 1 1 98 98 ARG CA C 13 52.974 0.019 . 1 . . . . 1847 ARG CA . 16031 1 501 . 1 1 98 98 ARG CB C 13 30.721 0.005 . 1 . . . . 1847 ARG CB . 16031 1 502 . 1 1 98 98 ARG N N 15 116.578 0.039 . 1 . . . . 1847 ARG N . 16031 1 503 . 1 1 99 99 ILE H H 1 9.195 0.001 . 1 . . . . 1848 ILE H . 16031 1 504 . 1 1 99 99 ILE HA H 1 4.718 0.010 . 1 . . . . 1848 ILE HA . 16031 1 505 . 1 1 99 99 ILE HB H 1 1.643 0.010 . 1 . . . . 1848 ILE HB . 16031 1 506 . 1 1 99 99 ILE C C 13 172.488 0.008 . 1 . . . . 1848 ILE C . 16031 1 507 . 1 1 99 99 ILE CA C 13 58.257 0.039 . 1 . . . . 1848 ILE CA . 16031 1 508 . 1 1 99 99 ILE CB C 13 39.600 0.008 . 1 . . . . 1848 ILE CB . 16031 1 509 . 1 1 99 99 ILE N N 15 119.583 0.044 . 1 . . . . 1848 ILE N . 16031 1 510 . 1 1 100 100 HIS H H 1 9.755 0.003 . 1 . . . . 1849 HIS H . 16031 1 511 . 1 1 100 100 HIS HA H 1 4.177 0.010 . 1 . . . . 1849 HIS HA . 16031 1 512 . 1 1 100 100 HIS HB2 H 1 2.860 0.010 . 2 . . . . 1849 HIS QB . 16031 1 513 . 1 1 100 100 HIS HB3 H 1 2.860 0.010 . 2 . . . . 1849 HIS QB . 16031 1 514 . 1 1 100 100 HIS C C 13 174.563 0.015 . 1 . . . . 1849 HIS C . 16031 1 515 . 1 1 100 100 HIS CA C 13 55.791 0.026 . 1 . . . . 1849 HIS CA . 16031 1 516 . 1 1 100 100 HIS CB C 13 30.053 0.003 . 1 . . . . 1849 HIS CB . 16031 1 517 . 1 1 100 100 HIS N N 15 128.352 0.028 . 1 . . . . 1849 HIS N . 16031 1 518 . 1 1 101 101 CYS H H 1 7.953 0.004 . 1 . . . . 1850 CYS H . 16031 1 519 . 1 1 101 101 CYS HA H 1 2.870 0.010 . 1 . . . . 1850 CYS HA . 16031 1 520 . 1 1 101 101 CYS HB2 H 1 1.458 0.010 . 2 . . . . 1850 CYS QB . 16031 1 521 . 1 1 101 101 CYS HB3 H 1 1.458 0.010 . 2 . . . . 1850 CYS QB . 16031 1 522 . 1 1 101 101 CYS C C 13 173.358 0.001 . 1 . . . . 1850 CYS C . 16031 1 523 . 1 1 101 101 CYS CA C 13 59.978 0.100 . 1 . . . . 1850 CYS CA . 16031 1 524 . 1 1 101 101 CYS CB C 13 25.136 0.005 . 1 . . . . 1850 CYS CB . 16031 1 525 . 1 1 101 101 CYS N N 15 125.946 0.031 . 1 . . . . 1850 CYS N . 16031 1 526 . 1 1 102 102 MET H H 1 10.064 0.009 . 1 . . . . 1851 MET H . 16031 1 527 . 1 1 102 102 MET HA H 1 4.063 0.010 . 1 . . . . 1851 MET HA . 16031 1 528 . 1 1 102 102 MET HB2 H 1 1.834 0.010 . 2 . . . . 1851 MET HB2 . 16031 1 529 . 1 1 102 102 MET HB3 H 1 1.986 0.010 . 2 . . . . 1851 MET HB3 . 16031 1 530 . 1 1 102 102 MET C C 13 177.010 0.019 . 1 . . . . 1851 MET C . 16031 1 531 . 1 1 102 102 MET CA C 13 55.431 0.026 . 1 . . . . 1851 MET CA . 16031 1 532 . 1 1 102 102 MET CB C 13 29.426 0.025 . 1 . . . . 1851 MET CB . 16031 1 533 . 1 1 102 102 MET N N 15 117.853 0.055 . 1 . . . . 1851 MET N . 16031 1 534 . 1 1 103 103 ASP H H 1 7.204 0.001 . 1 . . . . 1852 ASP H . 16031 1 535 . 1 1 103 103 ASP HA H 1 4.584 0.010 . 1 . . . . 1852 ASP HA . 16031 1 536 . 1 1 103 103 ASP HB2 H 1 2.859 0.010 . 2 . . . . 1852 ASP HB2 . 16031 1 537 . 1 1 103 103 ASP HB3 H 1 2.579 0.010 . 2 . . . . 1852 ASP HB3 . 16031 1 538 . 1 1 103 103 ASP C C 13 177.065 0.011 . 1 . . . . 1852 ASP C . 16031 1 539 . 1 1 103 103 ASP CA C 13 55.416 0.009 . 1 . . . . 1852 ASP CA . 16031 1 540 . 1 1 103 103 ASP CB C 13 38.474 0.019 . 1 . . . . 1852 ASP CB . 16031 1 541 . 1 1 103 103 ASP N N 15 118.283 0.030 . 1 . . . . 1852 ASP N . 16031 1 542 . 1 1 104 104 ILE H H 1 7.496 0.003 . 1 . . . . 1853 ILE H . 16031 1 543 . 1 1 104 104 ILE HA H 1 3.449 0.010 . 1 . . . . 1853 ILE HA . 16031 1 544 . 1 1 104 104 ILE HB H 1 1.809 0.010 . 1 . . . . 1853 ILE HB . 16031 1 545 . 1 1 104 104 ILE C C 13 174.222 0.009 . 1 . . . . 1853 ILE C . 16031 1 546 . 1 1 104 104 ILE CA C 13 62.314 0.015 . 1 . . . . 1853 ILE CA . 16031 1 547 . 1 1 104 104 ILE CB C 13 34.827 0.018 . 1 . . . . 1853 ILE CB . 16031 1 548 . 1 1 104 104 ILE N N 15 121.634 0.012 . 1 . . . . 1853 ILE N . 16031 1 549 . 1 1 105 105 LEU H H 1 8.614 0.003 . 1 . . . . 1854 LEU H . 16031 1 550 . 1 1 105 105 LEU HA H 1 3.353 0.010 . 1 . . . . 1854 LEU HA . 16031 1 551 . 1 1 105 105 LEU HB2 H 1 1.402 0.010 . 2 . . . . 1854 LEU HB2 . 16031 1 552 . 1 1 105 105 LEU HB3 H 1 0.871 0.010 . 2 . . . . 1854 LEU HB3 . 16031 1 553 . 1 1 105 105 LEU C C 13 177.767 0.003 . 1 . . . . 1854 LEU C . 16031 1 554 . 1 1 105 105 LEU CA C 13 56.159 0.100 . 1 . . . . 1854 LEU CA . 16031 1 555 . 1 1 105 105 LEU CB C 13 38.365 0.028 . 1 . . . . 1854 LEU CB . 16031 1 556 . 1 1 105 105 LEU N N 15 120.044 0.029 . 1 . . . . 1854 LEU N . 16031 1 557 . 1 1 106 106 PHE H H 1 8.154 0.002 . 1 . . . . 1855 PHE H . 16031 1 558 . 1 1 106 106 PHE HB2 H 1 3.251 0.010 . 2 . . . . 1855 PHE HB2 . 16031 1 559 . 1 1 106 106 PHE HB3 H 1 3.099 0.010 . 2 . . . . 1855 PHE HB3 . 16031 1 560 . 1 1 106 106 PHE C C 13 174.976 0.006 . 1 . . . . 1855 PHE C . 16031 1 561 . 1 1 106 106 PHE CA C 13 59.230 0.100 . 1 . . . . 1855 PHE CA . 16031 1 562 . 1 1 106 106 PHE CB C 13 36.528 0.100 . 1 . . . . 1855 PHE CB . 16031 1 563 . 1 1 106 106 PHE N N 15 119.097 0.029 . 1 . . . . 1855 PHE N . 16031 1 564 . 1 1 107 107 ALA H H 1 7.843 0.003 . 1 . . . . 1856 ALA H . 16031 1 565 . 1 1 107 107 ALA HA H 1 4.015 0.010 . 1 . . . . 1856 ALA HA . 16031 1 566 . 1 1 107 107 ALA HB1 H 1 1.751 0.010 . 1 . . . . 1856 ALA MB . 16031 1 567 . 1 1 107 107 ALA HB2 H 1 1.751 0.010 . 1 . . . . 1856 ALA MB . 16031 1 568 . 1 1 107 107 ALA HB3 H 1 1.751 0.010 . 1 . . . . 1856 ALA MB . 16031 1 569 . 1 1 107 107 ALA C C 13 178.624 0.002 . 1 . . . . 1856 ALA C . 16031 1 570 . 1 1 107 107 ALA CA C 13 53.053 0.006 . 1 . . . . 1856 ALA CA . 16031 1 571 . 1 1 107 107 ALA CB C 13 17.419 0.100 . 1 . . . . 1856 ALA CB . 16031 1 572 . 1 1 107 107 ALA N N 15 120.872 0.008 . 1 . . . . 1856 ALA N . 16031 1 573 . 1 1 108 108 PHE H H 1 9.494 0.005 . 1 . . . . 1857 PHE H . 16031 1 574 . 1 1 108 108 PHE HB2 H 1 3.341 0.010 . 2 . . . . 1857 PHE HB2 . 16031 1 575 . 1 1 108 108 PHE HB3 H 1 2.904 0.010 . 2 . . . . 1857 PHE HB3 . 16031 1 576 . 1 1 108 108 PHE C C 13 176.672 0.003 . 1 . . . . 1857 PHE C . 16031 1 577 . 1 1 108 108 PHE CA C 13 57.346 0.100 . 1 . . . . 1857 PHE CA . 16031 1 578 . 1 1 108 108 PHE CB C 13 34.903 0.100 . 1 . . . . 1857 PHE CB . 16031 1 579 . 1 1 108 108 PHE N N 15 118.902 0.033 . 1 . . . . 1857 PHE N . 16031 1 580 . 1 1 109 109 THR H H 1 8.215 0.002 . 1 . . . . 1858 THR H . 16031 1 581 . 1 1 109 109 THR HA H 1 3.727 0.010 . 1 . . . . 1858 THR HA . 16031 1 582 . 1 1 109 109 THR HB H 1 4.060 0.010 . 1 . . . . 1858 THR HB . 16031 1 583 . 1 1 109 109 THR C C 13 173.810 0.100 . 1 . . . . 1858 THR C . 16031 1 584 . 1 1 109 109 THR CA C 13 64.548 0.100 . 1 . . . . 1858 THR CA . 16031 1 585 . 1 1 109 109 THR CB C 13 65.831 0.002 . 1 . . . . 1858 THR CB . 16031 1 586 . 1 1 109 109 THR N N 15 115.843 0.036 . 1 . . . . 1858 THR N . 16031 1 587 . 1 1 110 110 LYS H H 1 8.003 0.002 . 1 . . . . 1859 LYS H . 16031 1 588 . 1 1 110 110 LYS HA H 1 3.726 0.010 . 1 . . . . 1859 LYS HA . 16031 1 589 . 1 1 110 110 LYS HB2 H 1 1.625 0.010 . 2 . . . . 1859 LYS QB . 16031 1 590 . 1 1 110 110 LYS HB3 H 1 1.625 0.010 . 2 . . . . 1859 LYS QB . 16031 1 591 . 1 1 110 110 LYS C C 13 176.375 0.004 . 1 . . . . 1859 LYS C . 16031 1 592 . 1 1 110 110 LYS CA C 13 57.272 0.100 . 1 . . . . 1859 LYS CA . 16031 1 593 . 1 1 110 110 LYS CB C 13 29.506 0.006 . 1 . . . . 1859 LYS CB . 16031 1 594 . 1 1 110 110 LYS N N 15 122.522 0.047 . 1 . . . . 1859 LYS N . 16031 1 595 . 1 1 111 111 ARG H H 1 7.293 0.003 . 1 . . . . 1860 ARG H . 16031 1 596 . 1 1 111 111 ARG HA H 1 3.923 0.010 . 1 . . . . 1860 ARG HA . 16031 1 597 . 1 1 111 111 ARG HB3 H 1 1.670 0.010 . 2 . . . . 1860 ARG HB3 . 16031 1 598 . 1 1 111 111 ARG C C 13 175.375 0.100 . 1 . . . . 1860 ARG C . 16031 1 599 . 1 1 111 111 ARG CA C 13 56.553 0.100 . 1 . . . . 1860 ARG CA . 16031 1 600 . 1 1 111 111 ARG CB C 13 27.216 0.005 . 1 . . . . 1860 ARG CB . 16031 1 601 . 1 1 111 111 ARG N N 15 117.287 0.043 . 1 . . . . 1860 ARG N . 16031 1 602 . 1 1 112 112 VAL H H 1 6.986 0.002 . 1 . . . . 1861 VAL H . 16031 1 603 . 1 1 112 112 VAL HA H 1 3.716 0.010 . 1 . . . . 1861 VAL HA . 16031 1 604 . 1 1 112 112 VAL HB H 1 2.090 0.010 . 1 . . . . 1861 VAL HB . 16031 1 605 . 1 1 112 112 VAL C C 13 175.183 0.006 . 1 . . . . 1861 VAL C . 16031 1 606 . 1 1 112 112 VAL CA C 13 62.641 0.008 . 1 . . . . 1861 VAL CA . 16031 1 607 . 1 1 112 112 VAL CB C 13 29.849 0.009 . 1 . . . . 1861 VAL CB . 16031 1 608 . 1 1 112 112 VAL N N 15 116.699 0.023 . 1 . . . . 1861 VAL N . 16031 1 609 . 1 1 113 113 LEU H H 1 7.936 0.003 . 1 . . . . 1862 LEU H . 16031 1 610 . 1 1 113 113 LEU HA H 1 4.074 0.010 . 1 . . . . 1862 LEU HA . 16031 1 611 . 1 1 113 113 LEU HB2 H 1 1.647 0.010 . 2 . . . . 1862 LEU HB2 . 16031 1 612 . 1 1 113 113 LEU HB3 H 1 1.464 0.010 . 2 . . . . 1862 LEU HB3 . 16031 1 613 . 1 1 113 113 LEU C C 13 176.298 0.003 . 1 . . . . 1862 LEU C . 16031 1 614 . 1 1 113 113 LEU CA C 13 54.118 0.100 . 1 . . . . 1862 LEU CA . 16031 1 615 . 1 1 113 113 LEU CB C 13 39.907 0.100 . 1 . . . . 1862 LEU CB . 16031 1 616 . 1 1 113 113 LEU N N 15 118.610 0.061 . 1 . . . . 1862 LEU N . 16031 1 617 . 1 1 114 114 GLY H H 1 7.946 0.002 . 1 . . . . 1863 GLY H . 16031 1 618 . 1 1 114 114 GLY HA2 H 1 3.903 0.010 . 2 . . . . 1863 GLY HA2 . 16031 1 619 . 1 1 114 114 GLY HA3 H 1 3.859 0.010 . 2 . . . . 1863 GLY HA3 . 16031 1 620 . 1 1 114 114 GLY C C 13 172.049 0.011 . 1 . . . . 1863 GLY C . 16031 1 621 . 1 1 114 114 GLY CA C 13 43.201 0.015 . 1 . . . . 1863 GLY CA . 16031 1 622 . 1 1 114 114 GLY N N 15 106.535 0.030 . 1 . . . . 1863 GLY N . 16031 1 623 . 1 1 115 115 GLU H H 1 8.083 0.001 . 1 . . . . 1864 GLU H . 16031 1 624 . 1 1 115 115 GLU HA H 1 4.234 0.010 . 1 . . . . 1864 GLU HA . 16031 1 625 . 1 1 115 115 GLU HB2 H 1 1.982 0.010 . 2 . . . . 1864 GLU HB2 . 16031 1 626 . 1 1 115 115 GLU HB3 H 1 1.846 0.010 . 2 . . . . 1864 GLU HB3 . 16031 1 627 . 1 1 115 115 GLU C C 13 174.593 0.100 . 1 . . . . 1864 GLU C . 16031 1 628 . 1 1 115 115 GLU CA C 13 54.283 0.034 . 1 . . . . 1864 GLU CA . 16031 1 629 . 1 1 115 115 GLU CB C 13 28.008 0.100 . 1 . . . . 1864 GLU CB . 16031 1 630 . 1 1 115 115 GLU N N 15 119.887 0.020 . 1 . . . . 1864 GLU N . 16031 1 631 . 1 1 116 116 SER H H 1 8.252 0.002 . 1 . . . . 1865 SER H . 16031 1 632 . 1 1 116 116 SER HA H 1 4.385 0.010 . 1 . . . . 1865 SER HA . 16031 1 633 . 1 1 116 116 SER HB2 H 1 3.836 0.010 . 2 . . . . 1865 SER QB . 16031 1 634 . 1 1 116 116 SER HB3 H 1 3.836 0.010 . 2 . . . . 1865 SER QB . 16031 1 635 . 1 1 116 116 SER C C 13 172.858 0.100 . 1 . . . . 1865 SER C . 16031 1 636 . 1 1 116 116 SER CA C 13 56.490 0.007 . 1 . . . . 1865 SER CA . 16031 1 637 . 1 1 116 116 SER CB C 13 61.625 0.009 . 1 . . . . 1865 SER CB . 16031 1 638 . 1 1 116 116 SER N N 15 116.312 0.100 . 1 . . . . 1865 SER N . 16031 1 639 . 1 1 117 117 GLY H H 1 8.293 0.002 . 1 . . . . 1866 GLY H . 16031 1 640 . 1 1 117 117 GLY HA2 H 1 3.901 0.010 . 2 . . . . 1866 GLY QA . 16031 1 641 . 1 1 117 117 GLY HA3 H 1 3.901 0.010 . 2 . . . . 1866 GLY QA . 16031 1 642 . 1 1 117 117 GLY C C 13 172.066 0.003 . 1 . . . . 1866 GLY C . 16031 1 643 . 1 1 117 117 GLY CA C 13 43.231 0.003 . 1 . . . . 1866 GLY CA . 16031 1 644 . 1 1 117 117 GLY N N 15 110.195 0.027 . 1 . . . . 1866 GLY N . 16031 1 645 . 1 1 118 118 GLU H H 1 8.221 0.004 . 1 . . . . 1867 GLU H . 16031 1 646 . 1 1 118 118 GLU HA H 1 4.192 0.010 . 1 . . . . 1867 GLU HA . 16031 1 647 . 1 1 118 118 GLU HB3 H 1 1.910 0.060 . 2 . . . . 1867 GLU HB3 . 16031 1 648 . 1 1 118 118 GLU C C 13 174.690 0.003 . 1 . . . . 1867 GLU C . 16031 1 649 . 1 1 118 118 GLU CA C 13 54.613 0.003 . 1 . . . . 1867 GLU CA . 16031 1 650 . 1 1 118 118 GLU CB C 13 27.853 0.100 . 1 . . . . 1867 GLU CB . 16031 1 651 . 1 1 118 118 GLU N N 15 120.303 0.028 . 1 . . . . 1867 GLU N . 16031 1 652 . 1 1 119 119 MET H H 1 8.293 0.003 . 1 . . . . 1868 MET H . 16031 1 653 . 1 1 119 119 MET C C 13 174.283 0.100 . 1 . . . . 1868 MET C . 16031 1 654 . 1 1 119 119 MET CA C 13 53.712 0.100 . 1 . . . . 1868 MET CA . 16031 1 655 . 1 1 119 119 MET CB C 13 30.433 0.100 . 1 . . . . 1868 MET CB . 16031 1 656 . 1 1 119 119 MET N N 15 120.267 0.053 . 1 . . . . 1868 MET N . 16031 1 657 . 1 1 120 120 ASP H H 1 8.221 0.003 . 1 . . . . 1869 ASP H . 16031 1 658 . 1 1 120 120 ASP HA H 1 4.417 0.010 . 1 . . . . 1869 ASP HA . 16031 1 659 . 1 1 120 120 ASP HB2 H 1 2.582 0.010 . 2 . . . . 1869 ASP QB . 16031 1 660 . 1 1 120 120 ASP HB3 H 1 2.582 0.010 . 2 . . . . 1869 ASP QB . 16031 1 661 . 1 1 120 120 ASP C C 13 174.313 0.011 . 1 . . . . 1869 ASP C . 16031 1 662 . 1 1 120 120 ASP CA C 13 52.891 0.030 . 1 . . . . 1869 ASP CA . 16031 1 663 . 1 1 120 120 ASP CB C 13 38.645 0.003 . 1 . . . . 1869 ASP CB . 16031 1 664 . 1 1 120 120 ASP N N 15 121.003 0.014 . 1 . . . . 1869 ASP N . 16031 1 665 . 1 1 121 121 ALA H H 1 8.038 0.002 . 1 . . . . 1870 ALA H . 16031 1 666 . 1 1 121 121 ALA HA H 1 4.113 0.010 . 1 . . . . 1870 ALA HA . 16031 1 667 . 1 1 121 121 ALA HB1 H 1 1.311 0.010 . 1 . . . . 1870 ALA MB . 16031 1 668 . 1 1 121 121 ALA HB2 H 1 1.311 0.010 . 1 . . . . 1870 ALA MB . 16031 1 669 . 1 1 121 121 ALA HB3 H 1 1.311 0.010 . 1 . . . . 1870 ALA MB . 16031 1 670 . 1 1 121 121 ALA C C 13 175.993 0.001 . 1 . . . . 1870 ALA C . 16031 1 671 . 1 1 121 121 ALA CA C 13 51.068 0.007 . 1 . . . . 1870 ALA CA . 16031 1 672 . 1 1 121 121 ALA CB C 13 16.630 0.005 . 1 . . . . 1870 ALA CB . 16031 1 673 . 1 1 121 121 ALA N N 15 123.029 0.022 . 1 . . . . 1870 ALA N . 16031 1 674 . 1 1 122 122 LEU H H 1 7.910 0.004 . 1 . . . . 1871 LEU H . 16031 1 675 . 1 1 122 122 LEU HB2 H 1 1.610 0.010 . 2 . . . . 1871 LEU HB2 . 16031 1 676 . 1 1 122 122 LEU HB3 H 1 1.506 0.010 . 2 . . . . 1871 LEU HB3 . 16031 1 677 . 1 1 122 122 LEU C C 13 175.301 0.002 . 1 . . . . 1871 LEU C . 16031 1 678 . 1 1 122 122 LEU CA C 13 53.380 0.100 . 1 . . . . 1871 LEU CA . 16031 1 679 . 1 1 122 122 LEU CB C 13 39.684 0.100 . 1 . . . . 1871 LEU CB . 16031 1 680 . 1 1 122 122 LEU N N 15 118.946 0.053 . 1 . . . . 1871 LEU N . 16031 1 681 . 1 1 123 123 LYS H H 1 7.894 0.003 . 1 . . . . 1872 LYS H . 16031 1 682 . 1 1 123 123 LYS HA H 1 4.139 0.010 . 1 . . . . 1872 LYS HA . 16031 1 683 . 1 1 123 123 LYS HB2 H 1 1.715 0.010 . 2 . . . . 1872 LYS QB . 16031 1 684 . 1 1 123 123 LYS HB3 H 1 1.715 0.010 . 2 . . . . 1872 LYS QB . 16031 1 685 . 1 1 123 123 LYS C C 13 174.481 0.100 . 1 . . . . 1872 LYS C . 16031 1 686 . 1 1 123 123 LYS CA C 13 54.570 0.005 . 1 . . . . 1872 LYS CA . 16031 1 687 . 1 1 123 123 LYS CB C 13 30.413 0.100 . 1 . . . . 1872 LYS CB . 16031 1 688 . 1 1 123 123 LYS N N 15 120.836 0.023 . 1 . . . . 1872 LYS N . 16031 1 689 . 1 1 124 124 ILE H H 1 7.824 0.004 . 1 . . . . 1873 ILE H . 16031 1 690 . 1 1 124 124 ILE HA H 1 3.982 0.010 . 1 . . . . 1873 ILE HA . 16031 1 691 . 1 1 124 124 ILE HB H 1 1.747 0.010 . 1 . . . . 1873 ILE HB . 16031 1 692 . 1 1 124 124 ILE C C 13 174.061 0.003 . 1 . . . . 1873 ILE C . 16031 1 693 . 1 1 124 124 ILE CA C 13 59.274 0.003 . 1 . . . . 1873 ILE CA . 16031 1 694 . 1 1 124 124 ILE CB C 13 36.298 0.100 . 1 . . . . 1873 ILE CB . 16031 1 695 . 1 1 124 124 ILE N N 15 120.559 0.042 . 1 . . . . 1873 ILE N . 16031 1 696 . 1 1 125 125 GLN H H 1 8.193 0.004 . 1 . . . . 1874 GLN H . 16031 1 697 . 1 1 125 125 GLN C C 13 173.657 0.007 . 1 . . . . 1874 GLN C . 16031 1 698 . 1 1 125 125 GLN CA C 13 53.677 0.100 . 1 . . . . 1874 GLN CA . 16031 1 699 . 1 1 125 125 GLN CB C 13 27.034 0.100 . 1 . . . . 1874 GLN CB . 16031 1 700 . 1 1 125 125 GLN N N 15 123.238 0.018 . 1 . . . . 1874 GLN N . 16031 1 701 . 1 1 126 126 MET H H 1 8.259 0.005 . 1 . . . . 1875 MET H . 16031 1 702 . 1 1 126 126 MET CB C 13 30.817 0.100 . 1 . . . . 1875 MET CB . 16031 1 703 . 1 1 126 126 MET N N 15 121.283 0.060 . 1 . . . . 1875 MET N . 16031 1 704 . 1 1 127 127 GLU HA H 1 4.197 0.010 . 1 . . . . 1876 GLU HA . 16031 1 705 . 1 1 127 127 GLU HB2 H 1 1.944 0.010 . 2 . . . . 1876 GLU HB2 . 16031 1 706 . 1 1 127 127 GLU HB3 H 1 1.855 0.010 . 2 . . . . 1876 GLU HB3 . 16031 1 707 . 1 1 127 127 GLU C C 13 173.844 0.100 . 1 . . . . 1876 GLU C . 16031 1 708 . 1 1 128 128 GLU H H 1 8.315 0.004 . 1 . . . . 1877 GLU H . 16031 1 709 . 1 1 128 128 GLU HA H 1 4.196 0.010 . 1 . . . . 1877 GLU HA . 16031 1 710 . 1 1 128 128 GLU HB2 H 1 1.966 0.010 . 2 . . . . 1877 GLU HB2 . 16031 1 711 . 1 1 128 128 GLU HB3 H 1 1.841 0.010 . 2 . . . . 1877 GLU HB3 . 16031 1 712 . 1 1 128 128 GLU C C 13 173.063 0.002 . 1 . . . . 1877 GLU C . 16031 1 713 . 1 1 128 128 GLU CA C 13 54.296 0.032 . 1 . . . . 1877 GLU CA . 16031 1 714 . 1 1 128 128 GLU CB C 13 27.991 0.037 . 1 . . . . 1877 GLU CB . 16031 1 715 . 1 1 128 128 GLU N N 15 122.641 0.034 . 1 . . . . 1877 GLU N . 16031 1 716 . 1 1 129 129 LYS H H 1 7.868 0.002 . 1 . . . . 1878 LYS H . 16031 1 717 . 1 1 129 129 LYS C C 13 178.902 0.100 . 1 . . . . 1878 LYS C . 16031 1 718 . 1 1 129 129 LYS CA C 13 55.201 0.100 . 1 . . . . 1878 LYS CA . 16031 1 719 . 1 1 129 129 LYS CB C 13 31.473 0.100 . 1 . . . . 1878 LYS CB . 16031 1 720 . 1 1 129 129 LYS N N 15 127.635 0.027 . 1 . . . . 1878 LYS N . 16031 1 stop_ save_