data_16032 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16032 _Entry.Title ; Nav1.2 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 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Solution structure of the human Voltage-gated Sodium Channel, brain isoform (Nav1.2)' _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. . 16032 2 Joshua Levine . A. . 16032 3 Mark Arbing . A. . 16032 4 John Hunt . F. . 16032 5 Geoff Pitt . S. . 16032 6 Arthur Palmer . G. . 16032 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16032 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Voltage-gated Sodium Channel' . 16032 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16032 conformer_family_coord_set 1 16032 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 16032 '15N chemical shifts' 101 16032 '1H chemical shifts' 751 16032 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 . . 2010-05-27 2008-11-17 update BMRB 'edit entity/assembly name' 16032 2 . . 2009-03-04 2008-11-17 update BMRB 'complete entry citation' 16032 1 . . 2009-01-20 2008-11-17 original author 'original release' 16032 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1byy . 16032 PDB 1qg9 . 16032 PDB 2KAV 'BMRB Entry Tracking System' 16032 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16032 _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. . 16032 1 2 Joshua Levine . A. . 16032 1 3 Mark Arbing . A. . 16032 1 4 John Hunt . F. . 16032 1 5 Geoff Pitt . S. . 16032 1 6 Arthur Palmer . G. . 16032 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16032 _Assembly.ID 1 _Assembly.Name 'NaV1.2 C-terminal EF-hand domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 'NaV1.2 C-terminal EF-hand domain' 1 $entity A . yes native no no . . . 16032 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16032 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NaV1.2 C-terminal EF-hand domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MASENFSVATEESAEPLSED DFEMFYEVWEKFDPDATQFI EFAKLSDFADALDPPLLIAK PNKVQLIAMDLPMVSGDRIH CLDILFAFTKRVLGESGEMD ALRIQMEER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residue 24 in construct is residue 1777 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 man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12130.777 _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 PDB 2KAV . "Solution Structure Of The Human Voltage-Gated Sodium Channel, Brain Isoform (Nav1.2)" . . . . . 100.00 129 100.00 100.00 4.88e-88 . . . . 16032 1 2 no PDB 4JPZ . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" . . . . . 100.00 184 100.00 100.00 2.42e-89 . . . . 16032 1 3 no DBJ BAA92594 . "KIAA1356 protein [Homo sapiens]" . . . . . 82.17 519 97.17 99.06 5.28e-65 . . . . 16032 1 4 no DBJ BAC27748 . "unnamed protein product [Mus musculus]" . . . . . 82.17 404 98.11 98.11 2.08e-65 . . . . 16032 1 5 no DBJ BAC30078 . "unnamed protein product [Mus musculus]" . . . . . 82.17 253 98.11 98.11 4.73e-68 . . . . 16032 1 6 no DBJ BAG63295 . "unnamed protein product [Homo sapiens]" . . . . . 82.17 483 97.17 99.06 2.44e-65 . . . . 16032 1 7 no DBJ BAK62861 . "sodium channel protein type 3 subunit alpha [Pan troglodytes]" . . . . . 82.17 468 97.17 99.06 1.51e-65 . . . . 16032 1 8 no EMBL CAA27287 . "unnamed protein product [Rattus norvegicus]" . . . . . 82.17 2005 98.11 98.11 4.28e-63 . . . . 16032 1 9 no EMBL CAA46438 . "brain type II sodium channel alpha-subunit (HBSC II) [Homo sapiens]" . . . . . 82.17 245 100.00 100.00 1.30e-68 . . . . 16032 1 10 no EMBL CAA68735 . "unnamed protein product [Rattus norvegicus]" . . . . . 82.17 1951 97.17 98.11 4.23e-63 . . . . 16032 1 11 no EMBL CAB85895 . "type III sodium channel protein [Homo sapiens]" . . . . . 82.17 1951 97.17 99.06 3.45e-63 . . . . 16032 1 12 no GB AAA18895 . "voltage-gated sodium channel [Homo sapiens]" . . . . . 82.17 2005 100.00 100.00 8.22e-65 . . . . 16032 1 13 no GB AAA67695 . "sodium channel, partial [Mus musculus]" . . . . . 82.17 510 98.11 98.11 1.62e-66 . . . . 16032 1 14 no GB AAB22226 . "human brain sodium channel subtype II, HBSC II [human, brain, Peptide Partial, 303 aa]" . . . . . 82.17 303 100.00 100.00 2.44e-68 . . . . 16032 1 15 no GB AAG53412 . "voltage-gated sodium channel type II alpha subunit [Homo sapiens]" . . . . . 82.17 2005 100.00 100.00 8.22e-65 . . . . 16032 1 16 no GB AAG53413 . "voltage-gated sodium channel type II alpha subunit [Homo sapiens]" . . . . . 82.17 2005 100.00 100.00 8.22e-65 . . . . 16032 1 17 no PIR S29185 . "sodium channel protein II - human (fragment)" . . . . . 82.17 303 100.00 100.00 2.44e-68 . . . . 16032 1 18 no PRF 1204264B . "Na channel II protein" . . . . . 82.17 2005 98.11 98.11 4.28e-63 . . . . 16032 1 19 no REF NP_001035232 . "sodium channel protein type 2 subunit alpha isoform 1 [Homo sapiens]" . . . . . 82.17 2005 100.00 100.00 8.22e-65 . . . . 16032 1 20 no REF NP_001035233 . "sodium channel protein type 2 subunit alpha isoform 2 [Homo sapiens]" . . . . . 82.17 2005 100.00 100.00 8.22e-65 . . . . 16032 1 21 no REF NP_001075145 . "sodium channel protein type 3 subunit alpha isoform 2 [Homo sapiens]" . . . . . 82.17 1951 97.17 99.06 3.84e-63 . . . . 16032 1 22 no REF NP_001075146 . "sodium channel protein type 3 subunit alpha isoform 3 [Homo sapiens]" . . . . . 82.17 1951 97.17 99.06 3.45e-63 . . . . 16032 1 23 no REF NP_001092768 . "sodium channel protein type 2 subunit alpha [Mus musculus]" . . . . . 82.17 2006 98.11 98.11 4.28e-63 . . . . 16032 1 24 no SP P04775 . "RecName: Full=Sodium channel protein type 2 subunit alpha; AltName: Full=Sodium channel protein brain II subunit alpha; AltName" . . . . . 82.17 2005 98.11 98.11 4.28e-63 . . . . 16032 1 25 no SP P08104 . "RecName: Full=Sodium channel protein type 3 subunit alpha; AltName: Full=Sodium channel protein brain III subunit alpha; AltNam" . . . . . 82.17 1951 97.17 98.11 4.23e-63 . . . . 16032 1 26 no SP Q99250 . "RecName: Full=Sodium channel protein type 2 subunit alpha; AltName: Full=HBSC II; AltName: Full=Sodium channel protein brain II" . . . . . 82.17 2005 100.00 100.00 8.22e-65 . . . . 16032 1 27 no SP Q9NY46 . "RecName: Full=Sodium channel protein type 3 subunit alpha; AltName: Full=Sodium channel protein brain III subunit alpha; AltNam" . . . . . 82.17 2000 97.17 99.06 4.10e-63 . . . . 16032 1 28 no TPG DAA32692 . "TPA: sodium channel, voltage-gated, type II, alpha subunit [Bos taurus]" . . . . . 82.17 2006 98.11 99.06 2.69e-63 . . . . 16032 1 29 no TPG DAA32708 . "TPA: sodium channel, voltage-gated, type III, alpha subunit isoform 1 [Bos taurus]" . . . . . 82.17 1999 97.17 99.06 2.95e-63 . . . . 16032 1 30 no TPG DAA32709 . "TPA: sodium channel, voltage-gated, type III, alpha subunit isoform 2 [Bos taurus]" . . . . . 82.17 2000 97.17 99.06 2.92e-63 . . . . 16032 1 31 no TPG DAA32710 . "TPA: sodium channel, voltage-gated, type III, alpha subunit isoform 3 [Bos taurus]" . . . . . 82.17 1951 97.17 99.06 2.53e-63 . . . . 16032 1 32 no TPG DAA32711 . "TPA: sodium channel, voltage-gated, type III, alpha subunit isoform 4 [Bos taurus]" . . . . . 82.17 1951 97.17 99.06 2.39e-63 . . . . 16032 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 1754 MET . 16032 1 2 1755 GLY . 16032 1 3 1756 SER . 16032 1 4 1757 SER . 16032 1 5 1758 HIS . 16032 1 6 1759 HIS . 16032 1 7 1760 HIS . 16032 1 8 1761 HIS . 16032 1 9 1762 HIS . 16032 1 10 1763 HIS . 16032 1 11 1764 SER . 16032 1 12 1765 SER . 16032 1 13 1766 GLY . 16032 1 14 1767 LEU . 16032 1 15 1768 VAL . 16032 1 16 1769 PRO . 16032 1 17 1770 ARG . 16032 1 18 1771 GLY . 16032 1 19 1772 SER . 16032 1 20 1773 HIS . 16032 1 21 1774 MET . 16032 1 22 1775 ALA . 16032 1 23 1776 SER . 16032 1 24 1777 GLU . 16032 1 25 1778 ASN . 16032 1 26 1779 PHE . 16032 1 27 1780 SER . 16032 1 28 1781 VAL . 16032 1 29 1782 ALA . 16032 1 30 1783 THR . 16032 1 31 1784 GLU . 16032 1 32 1785 GLU . 16032 1 33 1786 SER . 16032 1 34 1787 ALA . 16032 1 35 1788 GLU . 16032 1 36 1789 PRO . 16032 1 37 1790 LEU . 16032 1 38 1791 SER . 16032 1 39 1792 GLU . 16032 1 40 1793 ASP . 16032 1 41 1794 ASP . 16032 1 42 1795 PHE . 16032 1 43 1796 GLU . 16032 1 44 1797 MET . 16032 1 45 1798 PHE . 16032 1 46 1799 TYR . 16032 1 47 1800 GLU . 16032 1 48 1801 VAL . 16032 1 49 1802 TRP . 16032 1 50 1803 GLU . 16032 1 51 1804 LYS . 16032 1 52 1805 PHE . 16032 1 53 1806 ASP . 16032 1 54 1807 PRO . 16032 1 55 1808 ASP . 16032 1 56 1809 ALA . 16032 1 57 1810 THR . 16032 1 58 1811 GLN . 16032 1 59 1812 PHE . 16032 1 60 1813 ILE . 16032 1 61 1814 GLU . 16032 1 62 1815 PHE . 16032 1 63 1816 ALA . 16032 1 64 1817 LYS . 16032 1 65 1818 LEU . 16032 1 66 1819 SER . 16032 1 67 1820 ASP . 16032 1 68 1821 PHE . 16032 1 69 1822 ALA . 16032 1 70 1823 ASP . 16032 1 71 1824 ALA . 16032 1 72 1825 LEU . 16032 1 73 1826 ASP . 16032 1 74 1827 PRO . 16032 1 75 1828 PRO . 16032 1 76 1829 LEU . 16032 1 77 1830 LEU . 16032 1 78 1831 ILE . 16032 1 79 1832 ALA . 16032 1 80 1833 LYS . 16032 1 81 1834 PRO . 16032 1 82 1835 ASN . 16032 1 83 1836 LYS . 16032 1 84 1837 VAL . 16032 1 85 1838 GLN . 16032 1 86 1839 LEU . 16032 1 87 1840 ILE . 16032 1 88 1841 ALA . 16032 1 89 1842 MET . 16032 1 90 1843 ASP . 16032 1 91 1844 LEU . 16032 1 92 1845 PRO . 16032 1 93 1846 MET . 16032 1 94 1847 VAL . 16032 1 95 1848 SER . 16032 1 96 1849 GLY . 16032 1 97 1850 ASP . 16032 1 98 1851 ARG . 16032 1 99 1852 ILE . 16032 1 100 1853 HIS . 16032 1 101 1854 CYS . 16032 1 102 1855 LEU . 16032 1 103 1856 ASP . 16032 1 104 1857 ILE . 16032 1 105 1858 LEU . 16032 1 106 1859 PHE . 16032 1 107 1860 ALA . 16032 1 108 1861 PHE . 16032 1 109 1862 THR . 16032 1 110 1863 LYS . 16032 1 111 1864 ARG . 16032 1 112 1865 VAL . 16032 1 113 1866 LEU . 16032 1 114 1867 GLY . 16032 1 115 1868 GLU . 16032 1 116 1869 SER . 16032 1 117 1870 GLY . 16032 1 118 1871 GLU . 16032 1 119 1872 MET . 16032 1 120 1873 ASP . 16032 1 121 1874 ALA . 16032 1 122 1875 LEU . 16032 1 123 1876 ARG . 16032 1 124 1877 ILE . 16032 1 125 1878 GLN . 16032 1 126 1879 MET . 16032 1 127 1880 GLU . 16032 1 128 1881 GLU . 16032 1 129 1882 ARG . 16032 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 16032 1 . GLY 2 2 16032 1 . SER 3 3 16032 1 . SER 4 4 16032 1 . HIS 5 5 16032 1 . HIS 6 6 16032 1 . HIS 7 7 16032 1 . HIS 8 8 16032 1 . HIS 9 9 16032 1 . HIS 10 10 16032 1 . SER 11 11 16032 1 . SER 12 12 16032 1 . GLY 13 13 16032 1 . LEU 14 14 16032 1 . VAL 15 15 16032 1 . PRO 16 16 16032 1 . ARG 17 17 16032 1 . GLY 18 18 16032 1 . SER 19 19 16032 1 . HIS 20 20 16032 1 . MET 21 21 16032 1 . ALA 22 22 16032 1 . SER 23 23 16032 1 . GLU 24 24 16032 1 . ASN 25 25 16032 1 . PHE 26 26 16032 1 . SER 27 27 16032 1 . VAL 28 28 16032 1 . ALA 29 29 16032 1 . THR 30 30 16032 1 . GLU 31 31 16032 1 . GLU 32 32 16032 1 . SER 33 33 16032 1 . ALA 34 34 16032 1 . GLU 35 35 16032 1 . PRO 36 36 16032 1 . LEU 37 37 16032 1 . SER 38 38 16032 1 . GLU 39 39 16032 1 . ASP 40 40 16032 1 . ASP 41 41 16032 1 . PHE 42 42 16032 1 . GLU 43 43 16032 1 . MET 44 44 16032 1 . PHE 45 45 16032 1 . TYR 46 46 16032 1 . GLU 47 47 16032 1 . VAL 48 48 16032 1 . TRP 49 49 16032 1 . GLU 50 50 16032 1 . LYS 51 51 16032 1 . PHE 52 52 16032 1 . ASP 53 53 16032 1 . PRO 54 54 16032 1 . ASP 55 55 16032 1 . ALA 56 56 16032 1 . THR 57 57 16032 1 . GLN 58 58 16032 1 . PHE 59 59 16032 1 . ILE 60 60 16032 1 . GLU 61 61 16032 1 . PHE 62 62 16032 1 . ALA 63 63 16032 1 . LYS 64 64 16032 1 . LEU 65 65 16032 1 . SER 66 66 16032 1 . ASP 67 67 16032 1 . PHE 68 68 16032 1 . ALA 69 69 16032 1 . ASP 70 70 16032 1 . ALA 71 71 16032 1 . LEU 72 72 16032 1 . ASP 73 73 16032 1 . PRO 74 74 16032 1 . PRO 75 75 16032 1 . LEU 76 76 16032 1 . LEU 77 77 16032 1 . ILE 78 78 16032 1 . ALA 79 79 16032 1 . LYS 80 80 16032 1 . PRO 81 81 16032 1 . ASN 82 82 16032 1 . LYS 83 83 16032 1 . VAL 84 84 16032 1 . GLN 85 85 16032 1 . LEU 86 86 16032 1 . ILE 87 87 16032 1 . ALA 88 88 16032 1 . MET 89 89 16032 1 . ASP 90 90 16032 1 . LEU 91 91 16032 1 . PRO 92 92 16032 1 . MET 93 93 16032 1 . VAL 94 94 16032 1 . SER 95 95 16032 1 . GLY 96 96 16032 1 . ASP 97 97 16032 1 . ARG 98 98 16032 1 . ILE 99 99 16032 1 . HIS 100 100 16032 1 . CYS 101 101 16032 1 . LEU 102 102 16032 1 . ASP 103 103 16032 1 . ILE 104 104 16032 1 . LEU 105 105 16032 1 . PHE 106 106 16032 1 . ALA 107 107 16032 1 . PHE 108 108 16032 1 . THR 109 109 16032 1 . LYS 110 110 16032 1 . ARG 111 111 16032 1 . VAL 112 112 16032 1 . LEU 113 113 16032 1 . GLY 114 114 16032 1 . GLU 115 115 16032 1 . SER 116 116 16032 1 . GLY 117 117 16032 1 . GLU 118 118 16032 1 . MET 119 119 16032 1 . ASP 120 120 16032 1 . ALA 121 121 16032 1 . LEU 122 122 16032 1 . ARG 123 123 16032 1 . ILE 124 124 16032 1 . GLN 125 125 16032 1 . MET 126 126 16032 1 . GLU 127 127 16032 1 . GLU 128 128 16032 1 . ARG 129 129 16032 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 16032 _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 $entity . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . SCN2A . . . . 16032 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 16032 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET28 . . . 'Construct retains 6x His tag (MGSSHHHHHHSSGLVPRGSHMAS).' . . 16032 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-15N _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N _Sample.Entry_ID 16032 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.5 . . mM 0.05 . . . 16032 1 2 glycine [D5-98%] . . . . . . 100 . . mM 10 . . . 16032 1 3 TRIS '[D11-98 %]' . . . . . . 20 . . mM 2 . . . 16032 1 4 EDTA [D16-98%] . . . . . . 0.1 . . mM 0.01 . . . 16032 1 5 D2O '[U-99% 2H]' . . . . . . 10 . . % 1 . . . 16032 1 6 DTT [D10-98%] . . . . . . 1 . . mM 0.1 . . . 16032 1 7 NaN3 'natural abundance' . . . . . . 0.02 . . % 0.002 . . . 16032 1 stop_ save_ save_10%13-C _Sample.Sf_category sample _Sample.Sf_framecode 10%13-C _Sample.Entry_ID 16032 _Sample.ID 2 _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 entity '[U-10% 13C; U-99% 15N]' . . 1 $entity . . 0.5 . . mM 0.05 . . . 16032 2 2 glycine [D5-98%] . . . . . . 100 . . mM 10 . . . 16032 2 3 TRIS '[D11-98 %]' . . . . . . 20 . . mM 2 . . . 16032 2 4 EDTA [D16-98%] . . . . . . 0.1 . . mM 0.01 . . . 16032 2 5 D2O '[U-99% 2H]' . . . . . . 10 . . % 1 . . . 16032 2 6 DTT [D10-98%] . . . . . . 1 . . mM 0.1 . . . 16032 2 7 NaN3 'natural abundance' . . . . . . 0.02 . . % 0.002 . . . 16032 2 stop_ save_ save_phage _Sample.Sf_category sample _Sample.Sf_framecode phage _Sample.Entry_ID 16032 _Sample.ID 3 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.5 . . mM 0.05 . . . 16032 3 2 glycine [D5-98%] . . . . . . 100 . . mM 10 . . . 16032 3 3 TRIS '[D11-98 %]' . . . . . . 20 . . mM 2 . . . 16032 3 4 EDTA [D16-98%] . . . . . . 0.1 . . mM 0.01 . . . 16032 3 5 D2O '[U-99% 2H]' . . . . . . 10 . . % 1 . . . 16032 3 6 DTT [D10-98%] . . . . . . 1 . . mM 0.1 . . . 16032 3 7 NaN3 'natural abundance' . . . . . . 0.02 . . % 0.002 . . . 16032 3 8 'pF1 phage' 'natural abundance' . . . . . . 15 . . mg 1 . . . 16032 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 16032 _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 16032 1 pH 7.4 0.1 pH 16032 1 pressure 1.0 . atm 16032 1 temperature 290.5 0.1 K 16032 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16032 _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' . . 16032 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16032 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16032 _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 . . 16032 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16032 2 'peak picking' 16032 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16032 _Software.ID 3 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16032 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'initial structure solution' 16032 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16032 _Software.ID 4 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16032 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'initial structure solution' 16032 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16032 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16032 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16032 5 'structure solution' 16032 5 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 16032 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16032 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16032 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16032 _NMR_spectrometer.ID 4 _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 16032 _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 . 600 . . . 16032 1 2 spectrometer_2 Bruker Avance . 600 . . . 16032 1 3 spectrometer_3 Bruker Avance . 800 . . . 16032 1 4 spectrometer_4 Bruker Avance . 700 . . . 16032 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 16032 _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 $13C-15N isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16032 1 2 '3D HNCA' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16032 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16032 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16032 1 5 '3D HNCACB' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16032 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16032 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16032 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16032 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16032 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16032 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $10%13-C isotropic . . 1 $sample_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16032 1 12 '3D HCACO' no . . . . . . . . . . 3 $phage anisotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16032 1 13 '2D IPAP HSQC' no . . . . . . . . . . 3 $phage anisotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16032 1 14 '3D quant HNCO' no . . . . . . . . . . 3 $phage anisotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16032 1 15 '3D CCa HNCO' no . . . . . . . . . . 3 $phage anisotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16032 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 16032 _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 . . . . . . . . . 16032 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16032 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16032 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 16032 _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 _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 given as standard deviations in the NMRSTAR file' _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' . . . 16032 1 2 '3D HNCA' . . . 16032 1 3 '3D HN(CO)CA' . . . 16032 1 4 '3D HN(CA)CO' . . . 16032 1 5 '3D HNCACB' . . . 16032 1 6 '3D CBCA(CO)NH' . . . 16032 1 7 '3D HCCH-TOCSY' . . . 16032 1 8 '3D HBHA(CO)NH' . . . 16032 1 12 '3D HCACO' . . . 16032 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 2 $SPARKY . . 16032 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 8.456 0.003 . 1 . . . . 1777 GLU H . 16032 1 2 . 1 1 24 24 GLU HA H 1 4.222 0.001 . 1 . . . . 1777 GLU HA . 16032 1 3 . 1 1 24 24 GLU HB2 H 1 1.967 0.010 . 2 . . . . 1777 GLU HB2 . 16032 1 4 . 1 1 24 24 GLU HB3 H 1 1.885 0.010 . 2 . . . . 1777 GLU HB3 . 16032 1 5 . 1 1 24 24 GLU HG2 H 1 2.181 0.013 . 2 . . . . 1777 GLU QG . 16032 1 6 . 1 1 24 24 GLU HG3 H 1 2.181 0.013 . 2 . . . . 1777 GLU QG . 16032 1 7 . 1 1 24 24 GLU N N 15 121.899 0.008 . 1 . . . . 1777 GLU N . 16032 1 8 . 1 1 25 25 ASN H H 1 8.291 0.008 . 1 . . . . 1778 ASN H . 16032 1 9 . 1 1 25 25 ASN HA H 1 4.639 0.004 . 1 . . . . 1778 ASN HA . 16032 1 10 . 1 1 25 25 ASN HB2 H 1 2.740 0.003 . 2 . . . . 1778 ASN HB2 . 16032 1 11 . 1 1 25 25 ASN HB3 H 1 2.634 0.002 . 2 . . . . 1778 ASN HB3 . 16032 1 12 . 1 1 25 25 ASN HD21 H 1 7.567 0.010 . 2 . . . . 1778 ASN HD21 . 16032 1 13 . 1 1 25 25 ASN HD22 H 1 6.931 0.001 . 2 . . . . 1778 ASN HD22 . 16032 1 14 . 1 1 25 25 ASN CA C 13 52.921 0.018 . 1 . . . . 1778 ASN CA . 16032 1 15 . 1 1 25 25 ASN CB C 13 38.645 0.014 . 1 . . . . 1778 ASN CB . 16032 1 16 . 1 1 25 25 ASN N N 15 118.251 0.048 . 1 . . . . 1778 ASN N . 16032 1 17 . 1 1 26 26 PHE H H 1 8.132 0.004 . 1 . . . . 1779 PHE H . 16032 1 18 . 1 1 26 26 PHE HA H 1 4.608 0.001 . 1 . . . . 1779 PHE HA . 16032 1 19 . 1 1 26 26 PHE HB2 H 1 3.140 0.003 . 2 . . . . 1779 PHE HB2 . 16032 1 20 . 1 1 26 26 PHE HB3 H 1 3.011 0.002 . 2 . . . . 1779 PHE HB3 . 16032 1 21 . 1 1 26 26 PHE HD1 H 1 7.204 0.008 . 3 . . . . 1779 PHE QD . 16032 1 22 . 1 1 26 26 PHE HD2 H 1 7.204 0.008 . 3 . . . . 1779 PHE QD . 16032 1 23 . 1 1 26 26 PHE CA C 13 57.605 0.001 . 1 . . . . 1779 PHE CA . 16032 1 24 . 1 1 26 26 PHE CB C 13 39.179 0.025 . 1 . . . . 1779 PHE CB . 16032 1 25 . 1 1 26 26 PHE CD1 C 13 131.676 0.027 . 3 . . . . 1779 PHE CD1 . 16032 1 26 . 1 1 26 26 PHE N N 15 120.325 0.005 . 1 . . . . 1779 PHE N . 16032 1 27 . 1 1 27 27 SER H H 1 8.202 0.003 . 1 . . . . 1780 SER H . 16032 1 28 . 1 1 27 27 SER HA H 1 4.446 0.002 . 1 . . . . 1780 SER HA . 16032 1 29 . 1 1 27 27 SER HB2 H 1 3.804 0.005 . 2 . . . . 1780 SER QB . 16032 1 30 . 1 1 27 27 SER HB3 H 1 3.804 0.005 . 2 . . . . 1780 SER QB . 16032 1 31 . 1 1 27 27 SER CA C 13 57.861 0.001 . 1 . . . . 1780 SER CA . 16032 1 32 . 1 1 27 27 SER CB C 13 63.673 0.002 . 1 . . . . 1780 SER CB . 16032 1 33 . 1 1 27 27 SER N N 15 117.257 0.015 . 1 . . . . 1780 SER N . 16032 1 34 . 1 1 28 28 VAL H H 1 8.123 0.005 . 1 . . . . 1781 VAL H . 16032 1 35 . 1 1 28 28 VAL HA H 1 4.136 0.002 . 1 . . . . 1781 VAL HA . 16032 1 36 . 1 1 28 28 VAL HB H 1 2.086 0.002 . 1 . . . . 1781 VAL HB . 16032 1 37 . 1 1 28 28 VAL HG11 H 1 0.935 0.003 . 1 . . . . 1781 VAL MG1 . 16032 1 38 . 1 1 28 28 VAL HG12 H 1 0.935 0.003 . 1 . . . . 1781 VAL MG1 . 16032 1 39 . 1 1 28 28 VAL HG13 H 1 0.935 0.003 . 1 . . . . 1781 VAL MG1 . 16032 1 40 . 1 1 28 28 VAL HG21 H 1 0.925 0.001 . 1 . . . . 1781 VAL MG2 . 16032 1 41 . 1 1 28 28 VAL HG22 H 1 0.925 0.001 . 1 . . . . 1781 VAL MG2 . 16032 1 42 . 1 1 28 28 VAL HG23 H 1 0.925 0.001 . 1 . . . . 1781 VAL MG2 . 16032 1 43 . 1 1 28 28 VAL CA C 13 61.715 0.016 . 1 . . . . 1781 VAL CA . 16032 1 44 . 1 1 28 28 VAL CB C 13 32.574 0.100 . 1 . . . . 1781 VAL CB . 16032 1 45 . 1 1 28 28 VAL CG1 C 13 20.924 0.007 . 1 . . . . 1781 VAL CG1 . 16032 1 46 . 1 1 28 28 VAL CG2 C 13 20.107 0.022 . 1 . . . . 1781 VAL CG2 . 16032 1 47 . 1 1 28 28 VAL N N 15 121.163 0.009 . 1 . . . . 1781 VAL N . 16032 1 48 . 1 1 29 29 ALA H H 1 8.420 0.005 . 1 . . . . 1782 ALA H . 16032 1 49 . 1 1 29 29 ALA HA H 1 4.387 0.001 . 1 . . . . 1782 ALA HA . 16032 1 50 . 1 1 29 29 ALA HB1 H 1 1.391 0.001 . 1 . . . . 1782 ALA MB . 16032 1 51 . 1 1 29 29 ALA HB2 H 1 1.391 0.001 . 1 . . . . 1782 ALA MB . 16032 1 52 . 1 1 29 29 ALA HB3 H 1 1.391 0.001 . 1 . . . . 1782 ALA MB . 16032 1 53 . 1 1 29 29 ALA CA C 13 52.233 0.028 . 1 . . . . 1782 ALA CA . 16032 1 54 . 1 1 29 29 ALA N N 15 127.400 0.003 . 1 . . . . 1782 ALA N . 16032 1 55 . 1 1 30 30 THR H H 1 8.166 0.003 . 1 . . . . 1783 THR H . 16032 1 56 . 1 1 30 30 THR HA H 1 4.329 0.001 . 1 . . . . 1783 THR HA . 16032 1 57 . 1 1 30 30 THR HB H 1 4.254 0.010 . 1 . . . . 1783 THR HB . 16032 1 58 . 1 1 30 30 THR HG21 H 1 1.194 0.003 . 1 . . . . 1783 THR MG . 16032 1 59 . 1 1 30 30 THR HG22 H 1 1.194 0.003 . 1 . . . . 1783 THR MG . 16032 1 60 . 1 1 30 30 THR HG23 H 1 1.194 0.003 . 1 . . . . 1783 THR MG . 16032 1 61 . 1 1 30 30 THR CA C 13 61.511 0.005 . 1 . . . . 1783 THR CA . 16032 1 62 . 1 1 30 30 THR CB C 13 69.631 0.100 . 1 . . . . 1783 THR CB . 16032 1 63 . 1 1 30 30 THR CG2 C 13 21.398 0.005 . 1 . . . . 1783 THR CG2 . 16032 1 64 . 1 1 30 30 THR N N 15 113.231 0.014 . 1 . . . . 1783 THR N . 16032 1 65 . 1 1 31 31 GLU H H 1 8.475 0.003 . 1 . . . . 1784 GLU H . 16032 1 66 . 1 1 31 31 GLU HB2 H 1 2.072 0.010 . 2 . . . . 1784 GLU HB2 . 16032 1 67 . 1 1 31 31 GLU HB3 H 1 1.944 0.010 . 2 . . . . 1784 GLU HB3 . 16032 1 68 . 1 1 31 31 GLU HG2 H 1 2.266 0.004 . 2 . . . . 1784 GLU QG . 16032 1 69 . 1 1 31 31 GLU HG3 H 1 2.266 0.004 . 2 . . . . 1784 GLU QG . 16032 1 70 . 1 1 31 31 GLU CG C 13 36.007 0.100 . 1 . . . . 1784 GLU CG . 16032 1 71 . 1 1 31 31 GLU N N 15 122.410 0.006 . 1 . . . . 1784 GLU N . 16032 1 72 . 1 1 32 32 GLU H H 1 8.476 0.002 . 1 . . . . 1785 GLU H . 16032 1 73 . 1 1 32 32 GLU HB2 H 1 2.070 0.003 . 2 . . . . 1785 GLU HB2 . 16032 1 74 . 1 1 32 32 GLU HB3 H 1 1.937 0.003 . 2 . . . . 1785 GLU HB3 . 16032 1 75 . 1 1 32 32 GLU HG2 H 1 2.263 0.001 . 2 . . . . 1785 GLU QG . 16032 1 76 . 1 1 32 32 GLU HG3 H 1 2.263 0.001 . 2 . . . . 1785 GLU QG . 16032 1 77 . 1 1 32 32 GLU CB C 13 30.011 0.002 . 1 . . . . 1785 GLU CB . 16032 1 78 . 1 1 32 32 GLU N N 15 121.416 0.001 . 1 . . . . 1785 GLU N . 16032 1 79 . 1 1 33 33 SER H H 1 8.334 0.001 . 1 . . . . 1786 SER H . 16032 1 80 . 1 1 33 33 SER HA H 1 4.433 0.002 . 1 . . . . 1786 SER HA . 16032 1 81 . 1 1 33 33 SER HB2 H 1 3.854 0.010 . 2 . . . . 1786 SER QB . 16032 1 82 . 1 1 33 33 SER HB3 H 1 3.854 0.010 . 2 . . . . 1786 SER QB . 16032 1 83 . 1 1 33 33 SER CA C 13 57.921 0.100 . 1 . . . . 1786 SER CA . 16032 1 84 . 1 1 33 33 SER N N 15 116.650 0.008 . 1 . . . . 1786 SER N . 16032 1 85 . 1 1 34 34 ALA H H 1 8.392 0.002 . 1 . . . . 1787 ALA H . 16032 1 86 . 1 1 34 34 ALA HA H 1 4.379 0.002 . 1 . . . . 1787 ALA HA . 16032 1 87 . 1 1 34 34 ALA HB1 H 1 1.371 0.001 . 1 . . . . 1787 ALA MB . 16032 1 88 . 1 1 34 34 ALA HB2 H 1 1.371 0.001 . 1 . . . . 1787 ALA MB . 16032 1 89 . 1 1 34 34 ALA HB3 H 1 1.371 0.001 . 1 . . . . 1787 ALA MB . 16032 1 90 . 1 1 34 34 ALA CA C 13 51.911 0.100 . 1 . . . . 1787 ALA CA . 16032 1 91 . 1 1 34 34 ALA N N 15 126.129 0.001 . 1 . . . . 1787 ALA N . 16032 1 92 . 1 1 35 35 GLU H H 1 8.402 0.002 . 1 . . . . 1788 GLU H . 16032 1 93 . 1 1 35 35 GLU HA H 1 4.589 0.001 . 1 . . . . 1788 GLU HA . 16032 1 94 . 1 1 35 35 GLU HB2 H 1 2.105 0.003 . 2 . . . . 1788 GLU HB2 . 16032 1 95 . 1 1 35 35 GLU HB3 H 1 1.894 0.002 . 2 . . . . 1788 GLU HB3 . 16032 1 96 . 1 1 35 35 GLU HG2 H 1 2.369 0.002 . 2 . . . . 1788 GLU HG2 . 16032 1 97 . 1 1 35 35 GLU HG3 H 1 2.308 0.003 . 2 . . . . 1788 GLU HG3 . 16032 1 98 . 1 1 35 35 GLU CA C 13 53.900 0.058 . 1 . . . . 1788 GLU CA . 16032 1 99 . 1 1 35 35 GLU CB C 13 29.698 0.023 . 1 . . . . 1788 GLU CB . 16032 1 100 . 1 1 35 35 GLU CG C 13 35.726 0.012 . 1 . . . . 1788 GLU CG . 16032 1 101 . 1 1 35 35 GLU N N 15 121.313 0.002 . 1 . . . . 1788 GLU N . 16032 1 102 . 1 1 36 36 PRO HA H 1 4.382 0.001 . 1 . . . . 1789 PRO HA . 16032 1 103 . 1 1 36 36 PRO HB2 H 1 2.250 0.001 . 2 . . . . 1789 PRO HB2 . 16032 1 104 . 1 1 36 36 PRO HB3 H 1 1.819 0.005 . 2 . . . . 1789 PRO HB3 . 16032 1 105 . 1 1 36 36 PRO HD2 H 1 3.785 0.009 . 2 . . . . 1789 PRO HD2 . 16032 1 106 . 1 1 36 36 PRO HD3 H 1 3.760 0.006 . 2 . . . . 1789 PRO HD3 . 16032 1 107 . 1 1 36 36 PRO HG2 H 1 2.001 0.002 . 2 . . . . 1789 PRO HG2 . 16032 1 108 . 1 1 36 36 PRO HG3 H 1 1.932 0.010 . 2 . . . . 1789 PRO HG3 . 16032 1 109 . 1 1 36 36 PRO CA C 13 63.310 0.054 . 1 . . . . 1789 PRO CA . 16032 1 110 . 1 1 36 36 PRO CB C 13 32.038 0.020 . 1 . . . . 1789 PRO CB . 16032 1 111 . 1 1 36 36 PRO CD C 13 50.220 0.024 . 1 . . . . 1789 PRO CD . 16032 1 112 . 1 1 36 36 PRO CG C 13 27.085 0.016 . 1 . . . . 1789 PRO CG . 16032 1 113 . 1 1 37 37 LEU H H 1 7.674 0.003 . 1 . . . . 1790 LEU H . 16032 1 114 . 1 1 37 37 LEU HA H 1 4.613 0.002 . 1 . . . . 1790 LEU HA . 16032 1 115 . 1 1 37 37 LEU HB2 H 1 1.547 0.007 . 2 . . . . 1790 LEU HB2 . 16032 1 116 . 1 1 37 37 LEU HB3 H 1 1.244 0.004 . 2 . . . . 1790 LEU HB3 . 16032 1 117 . 1 1 37 37 LEU HD11 H 1 0.749 0.005 . 1 . . . . 1790 LEU MD1 . 16032 1 118 . 1 1 37 37 LEU HD12 H 1 0.749 0.005 . 1 . . . . 1790 LEU MD1 . 16032 1 119 . 1 1 37 37 LEU HD13 H 1 0.749 0.005 . 1 . . . . 1790 LEU MD1 . 16032 1 120 . 1 1 37 37 LEU HD21 H 1 0.717 0.004 . 1 . . . . 1790 LEU MD2 . 16032 1 121 . 1 1 37 37 LEU HD22 H 1 0.717 0.004 . 1 . . . . 1790 LEU MD2 . 16032 1 122 . 1 1 37 37 LEU HD23 H 1 0.717 0.004 . 1 . . . . 1790 LEU MD2 . 16032 1 123 . 1 1 37 37 LEU CA C 13 53.507 0.027 . 1 . . . . 1790 LEU CA . 16032 1 124 . 1 1 37 37 LEU CB C 13 44.046 0.044 . 1 . . . . 1790 LEU CB . 16032 1 125 . 1 1 37 37 LEU CD1 C 13 26.023 0.022 . 1 . . . . 1790 LEU CD1 . 16032 1 126 . 1 1 37 37 LEU CD2 C 13 23.956 0.015 . 1 . . . . 1790 LEU CD2 . 16032 1 127 . 1 1 37 37 LEU N N 15 117.807 0.018 . 1 . . . . 1790 LEU N . 16032 1 128 . 1 1 38 38 SER H H 1 9.544 0.004 . 1 . . . . 1791 SER H . 16032 1 129 . 1 1 38 38 SER HA H 1 4.740 0.007 . 1 . . . . 1791 SER HA . 16032 1 130 . 1 1 38 38 SER HB2 H 1 4.255 0.004 . 2 . . . . 1791 SER HB2 . 16032 1 131 . 1 1 38 38 SER HB3 H 1 3.919 0.004 . 2 . . . . 1791 SER HB3 . 16032 1 132 . 1 1 38 38 SER CA C 13 56.408 0.002 . 1 . . . . 1791 SER CA . 16032 1 133 . 1 1 38 38 SER CB C 13 66.372 0.025 . 1 . . . . 1791 SER CB . 16032 1 134 . 1 1 38 38 SER N N 15 119.366 0.009 . 1 . . . . 1791 SER N . 16032 1 135 . 1 1 39 39 GLU H H 1 9.119 0.005 . 1 . . . . 1792 GLU H . 16032 1 136 . 1 1 39 39 GLU HA H 1 4.279 0.005 . 1 . . . . 1792 GLU HA . 16032 1 137 . 1 1 39 39 GLU HB2 H 1 2.134 0.004 . 2 . . . . 1792 GLU QB . 16032 1 138 . 1 1 39 39 GLU HB3 H 1 2.134 0.004 . 2 . . . . 1792 GLU QB . 16032 1 139 . 1 1 39 39 GLU HG2 H 1 2.449 0.006 . 2 . . . . 1792 GLU QG . 16032 1 140 . 1 1 39 39 GLU HG3 H 1 2.449 0.006 . 2 . . . . 1792 GLU QG . 16032 1 141 . 1 1 39 39 GLU CA C 13 59.644 0.060 . 1 . . . . 1792 GLU CA . 16032 1 142 . 1 1 39 39 GLU CB C 13 29.107 0.025 . 1 . . . . 1792 GLU CB . 16032 1 143 . 1 1 39 39 GLU CG C 13 36.109 0.014 . 1 . . . . 1792 GLU CG . 16032 1 144 . 1 1 39 39 GLU N N 15 120.930 0.100 . 1 . . . . 1792 GLU N . 16032 1 145 . 1 1 40 40 ASP H H 1 8.270 0.003 . 1 . . . . 1793 ASP H . 16032 1 146 . 1 1 40 40 ASP HA H 1 4.456 0.001 . 1 . . . . 1793 ASP HA . 16032 1 147 . 1 1 40 40 ASP HB2 H 1 2.696 0.004 . 2 . . . . 1793 ASP HB2 . 16032 1 148 . 1 1 40 40 ASP HB3 H 1 2.537 0.002 . 2 . . . . 1793 ASP HB3 . 16032 1 149 . 1 1 40 40 ASP CB C 13 40.181 0.021 . 1 . . . . 1793 ASP CB . 16032 1 150 . 1 1 40 40 ASP N N 15 117.772 0.007 . 1 . . . . 1793 ASP N . 16032 1 151 . 1 1 41 41 ASP H H 1 7.816 0.002 . 1 . . . . 1794 ASP H . 16032 1 152 . 1 1 41 41 ASP HA H 1 4.449 0.002 . 1 . . . . 1794 ASP HA . 16032 1 153 . 1 1 41 41 ASP HB2 H 1 2.718 0.003 . 2 . . . . 1794 ASP HB2 . 16032 1 154 . 1 1 41 41 ASP HB3 H 1 2.255 0.007 . 2 . . . . 1794 ASP HB3 . 16032 1 155 . 1 1 41 41 ASP CA C 13 57.442 0.050 . 1 . . . . 1794 ASP CA . 16032 1 156 . 1 1 41 41 ASP CB C 13 40.787 0.038 . 1 . . . . 1794 ASP CB . 16032 1 157 . 1 1 41 41 ASP N N 15 120.773 0.015 . 1 . . . . 1794 ASP N . 16032 1 158 . 1 1 42 42 PHE H H 1 7.555 0.004 . 1 . . . . 1795 PHE H . 16032 1 159 . 1 1 42 42 PHE HA H 1 4.198 0.006 . 1 . . . . 1795 PHE HA . 16032 1 160 . 1 1 42 42 PHE HB2 H 1 3.147 0.010 . 2 . . . . 1795 PHE QB . 16032 1 161 . 1 1 42 42 PHE HB3 H 1 3.147 0.010 . 2 . . . . 1795 PHE QB . 16032 1 162 . 1 1 42 42 PHE HD1 H 1 7.112 0.006 . 3 . . . . 1795 PHE QD . 16032 1 163 . 1 1 42 42 PHE HD2 H 1 7.112 0.006 . 3 . . . . 1795 PHE QD . 16032 1 164 . 1 1 42 42 PHE HE1 H 1 7.139 0.003 . 3 . . . . 1795 PHE QE . 16032 1 165 . 1 1 42 42 PHE HE2 H 1 7.139 0.003 . 3 . . . . 1795 PHE QE . 16032 1 166 . 1 1 42 42 PHE HZ H 1 7.138 0.002 . 1 . . . . 1795 PHE HZ . 16032 1 167 . 1 1 42 42 PHE CA C 13 61.178 0.036 . 1 . . . . 1795 PHE CA . 16032 1 168 . 1 1 42 42 PHE CB C 13 38.295 0.066 . 1 . . . . 1795 PHE CB . 16032 1 169 . 1 1 42 42 PHE CD1 C 13 131.096 0.021 . 3 . . . . 1795 PHE CD1 . 16032 1 170 . 1 1 42 42 PHE CE1 C 13 131.148 0.030 . 3 . . . . 1795 PHE CE1 . 16032 1 171 . 1 1 42 42 PHE CZ C 13 129.724 0.022 . 1 . . . . 1795 PHE CZ . 16032 1 172 . 1 1 42 42 PHE N N 15 118.046 0.011 . 1 . . . . 1795 PHE N . 16032 1 173 . 1 1 43 43 GLU H H 1 8.333 0.002 . 1 . . . . 1796 GLU H . 16032 1 174 . 1 1 43 43 GLU HA H 1 4.297 0.002 . 1 . . . . 1796 GLU HA . 16032 1 175 . 1 1 43 43 GLU HB2 H 1 2.243 0.002 . 2 . . . . 1796 GLU QB . 16032 1 176 . 1 1 43 43 GLU HB3 H 1 2.243 0.002 . 2 . . . . 1796 GLU QB . 16032 1 177 . 1 1 43 43 GLU HG2 H 1 2.583 0.003 . 2 . . . . 1796 GLU HG2 . 16032 1 178 . 1 1 43 43 GLU HG3 H 1 2.471 0.010 . 2 . . . . 1796 GLU HG3 . 16032 1 179 . 1 1 43 43 GLU CA C 13 59.599 0.009 . 1 . . . . 1796 GLU CA . 16032 1 180 . 1 1 43 43 GLU CB C 13 29.021 0.013 . 1 . . . . 1796 GLU CB . 16032 1 181 . 1 1 43 43 GLU CG C 13 36.009 0.012 . 1 . . . . 1796 GLU CG . 16032 1 182 . 1 1 43 43 GLU N N 15 118.541 0.015 . 1 . . . . 1796 GLU N . 16032 1 183 . 1 1 44 44 MET H H 1 8.025 0.005 . 1 . . . . 1797 MET H . 16032 1 184 . 1 1 44 44 MET HA H 1 4.287 0.001 . 1 . . . . 1797 MET HA . 16032 1 185 . 1 1 44 44 MET HB2 H 1 2.469 0.002 . 2 . . . . 1797 MET HB2 . 16032 1 186 . 1 1 44 44 MET HB3 H 1 2.267 0.010 . 2 . . . . 1797 MET HB3 . 16032 1 187 . 1 1 44 44 MET HE1 H 1 2.293 0.001 . 1 . . . . 1797 MET ME . 16032 1 188 . 1 1 44 44 MET HE2 H 1 2.293 0.001 . 1 . . . . 1797 MET ME . 16032 1 189 . 1 1 44 44 MET HE3 H 1 2.293 0.001 . 1 . . . . 1797 MET ME . 16032 1 190 . 1 1 44 44 MET HG2 H 1 2.988 0.004 . 2 . . . . 1797 MET HG2 . 16032 1 191 . 1 1 44 44 MET HG3 H 1 2.653 0.113 . 2 . . . . 1797 MET HG3 . 16032 1 192 . 1 1 44 44 MET CA C 13 58.345 0.009 . 1 . . . . 1797 MET CA . 16032 1 193 . 1 1 44 44 MET CB C 13 28.730 0.020 . 1 . . . . 1797 MET CB . 16032 1 194 . 1 1 44 44 MET CE C 13 16.421 0.009 . 1 . . . . 1797 MET CE . 16032 1 195 . 1 1 44 44 MET CG C 13 30.615 0.030 . 1 . . . . 1797 MET CG . 16032 1 196 . 1 1 44 44 MET N N 15 120.154 0.021 . 1 . . . . 1797 MET N . 16032 1 197 . 1 1 45 45 PHE H H 1 8.117 0.004 . 1 . . . . 1798 PHE H . 16032 1 198 . 1 1 45 45 PHE HA H 1 3.888 0.004 . 1 . . . . 1798 PHE HA . 16032 1 199 . 1 1 45 45 PHE HB2 H 1 3.397 0.004 . 2 . . . . 1798 PHE HB2 . 16032 1 200 . 1 1 45 45 PHE HB3 H 1 2.814 0.002 . 2 . . . . 1798 PHE HB3 . 16032 1 201 . 1 1 45 45 PHE HD1 H 1 6.475 0.005 . 3 . . . . 1798 PHE QD . 16032 1 202 . 1 1 45 45 PHE HD2 H 1 6.475 0.005 . 3 . . . . 1798 PHE QD . 16032 1 203 . 1 1 45 45 PHE HE1 H 1 6.681 0.004 . 3 . . . . 1798 PHE QE . 16032 1 204 . 1 1 45 45 PHE HE2 H 1 6.681 0.004 . 3 . . . . 1798 PHE QE . 16032 1 205 . 1 1 45 45 PHE HZ H 1 6.780 0.003 . 1 . . . . 1798 PHE HZ . 16032 1 206 . 1 1 45 45 PHE CA C 13 61.579 0.026 . 1 . . . . 1798 PHE CA . 16032 1 207 . 1 1 45 45 PHE CB C 13 38.234 0.035 . 1 . . . . 1798 PHE CB . 16032 1 208 . 1 1 45 45 PHE CD1 C 13 132.182 0.018 . 3 . . . . 1798 PHE CD1 . 16032 1 209 . 1 1 45 45 PHE CE1 C 13 130.380 0.033 . 3 . . . . 1798 PHE CE1 . 16032 1 210 . 1 1 45 45 PHE CZ C 13 129.148 0.037 . 1 . . . . 1798 PHE CZ . 16032 1 211 . 1 1 45 45 PHE N N 15 120.474 0.017 . 1 . . . . 1798 PHE N . 16032 1 212 . 1 1 46 46 TYR H H 1 8.299 0.007 . 1 . . . . 1799 TYR H . 16032 1 213 . 1 1 46 46 TYR HA H 1 4.377 0.005 . 1 . . . . 1799 TYR HA . 16032 1 214 . 1 1 46 46 TYR HB2 H 1 3.092 0.017 . 2 . . . . 1799 TYR HB2 . 16032 1 215 . 1 1 46 46 TYR HB3 H 1 2.868 0.002 . 2 . . . . 1799 TYR HB3 . 16032 1 216 . 1 1 46 46 TYR HD1 H 1 7.186 0.006 . 3 . . . . 1799 TYR QD . 16032 1 217 . 1 1 46 46 TYR HD2 H 1 7.186 0.006 . 3 . . . . 1799 TYR QD . 16032 1 218 . 1 1 46 46 TYR HE1 H 1 6.583 0.003 . 3 . . . . 1799 TYR QE . 16032 1 219 . 1 1 46 46 TYR HE2 H 1 6.583 0.003 . 3 . . . . 1799 TYR QE . 16032 1 220 . 1 1 46 46 TYR CA C 13 62.631 0.037 . 1 . . . . 1799 TYR CA . 16032 1 221 . 1 1 46 46 TYR CB C 13 37.639 0.034 . 1 . . . . 1799 TYR CB . 16032 1 222 . 1 1 46 46 TYR CD1 C 13 132.913 0.032 . 3 . . . . 1799 TYR CD1 . 16032 1 223 . 1 1 46 46 TYR CE1 C 13 117.622 0.025 . 3 . . . . 1799 TYR CE1 . 16032 1 224 . 1 1 46 46 TYR N N 15 116.311 0.015 . 1 . . . . 1799 TYR N . 16032 1 225 . 1 1 47 47 GLU H H 1 8.464 0.004 . 1 . . . . 1800 GLU H . 16032 1 226 . 1 1 47 47 GLU HA H 1 4.218 0.003 . 1 . . . . 1800 GLU HA . 16032 1 227 . 1 1 47 47 GLU HB2 H 1 2.337 0.006 . 2 . . . . 1800 GLU QB . 16032 1 228 . 1 1 47 47 GLU HB3 H 1 2.337 0.006 . 2 . . . . 1800 GLU QB . 16032 1 229 . 1 1 47 47 GLU HG2 H 1 2.528 0.006 . 2 . . . . 1800 GLU QG . 16032 1 230 . 1 1 47 47 GLU HG3 H 1 2.528 0.006 . 2 . . . . 1800 GLU QG . 16032 1 231 . 1 1 47 47 GLU CA C 13 59.585 0.017 . 1 . . . . 1800 GLU CA . 16032 1 232 . 1 1 47 47 GLU CB C 13 29.265 0.019 . 1 . . . . 1800 GLU CB . 16032 1 233 . 1 1 47 47 GLU CG C 13 36.263 0.001 . 1 . . . . 1800 GLU CG . 16032 1 234 . 1 1 47 47 GLU N N 15 123.373 0.008 . 1 . . . . 1800 GLU N . 16032 1 235 . 1 1 48 48 VAL H H 1 8.317 0.004 . 1 . . . . 1801 VAL H . 16032 1 236 . 1 1 48 48 VAL HA H 1 3.715 0.003 . 1 . . . . 1801 VAL HA . 16032 1 237 . 1 1 48 48 VAL HB H 1 1.982 0.006 . 1 . . . . 1801 VAL HB . 16032 1 238 . 1 1 48 48 VAL HG11 H 1 0.879 0.010 . 1 . . . . 1801 VAL MG1 . 16032 1 239 . 1 1 48 48 VAL HG12 H 1 0.879 0.010 . 1 . . . . 1801 VAL MG1 . 16032 1 240 . 1 1 48 48 VAL HG13 H 1 0.879 0.010 . 1 . . . . 1801 VAL MG1 . 16032 1 241 . 1 1 48 48 VAL HG21 H 1 1.065 0.003 . 1 . . . . 1801 VAL MG2 . 16032 1 242 . 1 1 48 48 VAL HG22 H 1 1.065 0.003 . 1 . . . . 1801 VAL MG2 . 16032 1 243 . 1 1 48 48 VAL HG23 H 1 1.065 0.003 . 1 . . . . 1801 VAL MG2 . 16032 1 244 . 1 1 48 48 VAL CA C 13 66.567 0.014 . 1 . . . . 1801 VAL CA . 16032 1 245 . 1 1 48 48 VAL CB C 13 30.961 0.142 . 1 . . . . 1801 VAL CB . 16032 1 246 . 1 1 48 48 VAL CG1 C 13 22.671 0.012 . 1 . . . . 1801 VAL CG1 . 16032 1 247 . 1 1 48 48 VAL CG2 C 13 23.215 0.019 . 1 . . . . 1801 VAL CG2 . 16032 1 248 . 1 1 48 48 VAL N N 15 120.814 0.025 . 1 . . . . 1801 VAL N . 16032 1 249 . 1 1 49 49 TRP H H 1 9.190 0.003 . 1 . . . . 1802 TRP H . 16032 1 250 . 1 1 49 49 TRP HA H 1 3.704 0.003 . 1 . . . . 1802 TRP HA . 16032 1 251 . 1 1 49 49 TRP HB2 H 1 3.415 0.006 . 2 . . . . 1802 TRP HB2 . 16032 1 252 . 1 1 49 49 TRP HB3 H 1 2.914 0.003 . 2 . . . . 1802 TRP HB3 . 16032 1 253 . 1 1 49 49 TRP HD1 H 1 7.277 0.002 . 1 . . . . 1802 TRP HD1 . 16032 1 254 . 1 1 49 49 TRP HE1 H 1 11.281 0.003 . 1 . . . . 1802 TRP HE1 . 16032 1 255 . 1 1 49 49 TRP HE3 H 1 6.413 0.003 . 1 . . . . 1802 TRP HE3 . 16032 1 256 . 1 1 49 49 TRP HH2 H 1 6.601 0.003 . 1 . . . . 1802 TRP HH2 . 16032 1 257 . 1 1 49 49 TRP HZ2 H 1 6.525 0.004 . 1 . . . . 1802 TRP HZ2 . 16032 1 258 . 1 1 49 49 TRP HZ3 H 1 6.006 0.003 . 1 . . . . 1802 TRP HZ3 . 16032 1 259 . 1 1 49 49 TRP CA C 13 61.622 0.047 . 1 . . . . 1802 TRP CA . 16032 1 260 . 1 1 49 49 TRP CB C 13 28.527 0.036 . 1 . . . . 1802 TRP CB . 16032 1 261 . 1 1 49 49 TRP CD1 C 13 127.475 0.026 . 1 . . . . 1802 TRP CD1 . 16032 1 262 . 1 1 49 49 TRP CE3 C 13 120.631 0.073 . 1 . . . . 1802 TRP CE3 . 16032 1 263 . 1 1 49 49 TRP CH2 C 13 123.361 0.046 . 1 . . . . 1802 TRP CH2 . 16032 1 264 . 1 1 49 49 TRP CZ2 C 13 112.899 0.019 . 1 . . . . 1802 TRP CZ2 . 16032 1 265 . 1 1 49 49 TRP CZ3 C 13 119.596 0.030 . 1 . . . . 1802 TRP CZ3 . 16032 1 266 . 1 1 49 49 TRP N N 15 121.634 0.018 . 1 . . . . 1802 TRP N . 16032 1 267 . 1 1 49 49 TRP NE1 N 15 131.471 0.007 . 1 . . . . 1802 TRP NE1 . 16032 1 268 . 1 1 50 50 GLU H H 1 7.968 0.003 . 1 . . . . 1803 GLU H . 16032 1 269 . 1 1 50 50 GLU HA H 1 3.957 0.003 . 1 . . . . 1803 GLU HA . 16032 1 270 . 1 1 50 50 GLU HB2 H 1 2.300 0.002 . 2 . . . . 1803 GLU HB2 . 16032 1 271 . 1 1 50 50 GLU HB3 H 1 2.200 0.002 . 2 . . . . 1803 GLU HB3 . 16032 1 272 . 1 1 50 50 GLU HG2 H 1 2.703 0.005 . 2 . . . . 1803 GLU HG2 . 16032 1 273 . 1 1 50 50 GLU HG3 H 1 2.508 0.004 . 2 . . . . 1803 GLU HG3 . 16032 1 274 . 1 1 50 50 GLU CA C 13 59.059 0.054 . 1 . . . . 1803 GLU CA . 16032 1 275 . 1 1 50 50 GLU CB C 13 29.440 0.017 . 1 . . . . 1803 GLU CB . 16032 1 276 . 1 1 50 50 GLU CG C 13 36.157 0.014 . 1 . . . . 1803 GLU CG . 16032 1 277 . 1 1 50 50 GLU N N 15 115.667 0.016 . 1 . . . . 1803 GLU N . 16032 1 278 . 1 1 51 51 LYS H H 1 7.480 0.004 . 1 . . . . 1804 LYS H . 16032 1 279 . 1 1 51 51 LYS HA H 1 3.955 0.001 . 1 . . . . 1804 LYS HA . 16032 1 280 . 1 1 51 51 LYS HB2 H 1 2.103 0.002 . 2 . . . . 1804 LYS HB2 . 16032 1 281 . 1 1 51 51 LYS HB3 H 1 1.736 0.003 . 2 . . . . 1804 LYS HB3 . 16032 1 282 . 1 1 51 51 LYS HD2 H 1 1.654 0.001 . 2 . . . . 1804 LYS QD . 16032 1 283 . 1 1 51 51 LYS HD3 H 1 1.654 0.001 . 2 . . . . 1804 LYS QD . 16032 1 284 . 1 1 51 51 LYS HE2 H 1 2.951 0.004 . 2 . . . . 1804 LYS QE . 16032 1 285 . 1 1 51 51 LYS HE3 H 1 2.951 0.004 . 2 . . . . 1804 LYS QE . 16032 1 286 . 1 1 51 51 LYS HG2 H 1 1.653 0.001 . 2 . . . . 1804 LYS HG2 . 16032 1 287 . 1 1 51 51 LYS HG3 H 1 1.387 0.003 . 2 . . . . 1804 LYS HG3 . 16032 1 288 . 1 1 51 51 LYS CA C 13 58.121 0.045 . 1 . . . . 1804 LYS CA . 16032 1 289 . 1 1 51 51 LYS CB C 13 31.582 0.028 . 1 . . . . 1804 LYS CB . 16032 1 290 . 1 1 51 51 LYS CD C 13 28.905 0.012 . 1 . . . . 1804 LYS CD . 16032 1 291 . 1 1 51 51 LYS CE C 13 41.922 0.018 . 1 . . . . 1804 LYS CE . 16032 1 292 . 1 1 51 51 LYS CG C 13 24.853 0.041 . 1 . . . . 1804 LYS CG . 16032 1 293 . 1 1 51 51 LYS N N 15 115.567 0.013 . 1 . . . . 1804 LYS N . 16032 1 294 . 1 1 52 52 PHE H H 1 7.513 0.002 . 1 . . . . 1805 PHE H . 16032 1 295 . 1 1 52 52 PHE HA H 1 4.079 0.002 . 1 . . . . 1805 PHE HA . 16032 1 296 . 1 1 52 52 PHE HB2 H 1 2.694 0.003 . 2 . . . . 1805 PHE HB2 . 16032 1 297 . 1 1 52 52 PHE HB3 H 1 2.270 0.005 . 2 . . . . 1805 PHE HB3 . 16032 1 298 . 1 1 52 52 PHE HD1 H 1 7.492 0.003 . 3 . . . . 1805 PHE QD . 16032 1 299 . 1 1 52 52 PHE HD2 H 1 7.492 0.003 . 3 . . . . 1805 PHE QD . 16032 1 300 . 1 1 52 52 PHE HE1 H 1 7.287 0.004 . 3 . . . . 1805 PHE QE . 16032 1 301 . 1 1 52 52 PHE HE2 H 1 7.287 0.004 . 3 . . . . 1805 PHE QE . 16032 1 302 . 1 1 52 52 PHE HZ H 1 7.033 0.005 . 1 . . . . 1805 PHE HZ . 16032 1 303 . 1 1 52 52 PHE CA C 13 58.710 0.019 . 1 . . . . 1805 PHE CA . 16032 1 304 . 1 1 52 52 PHE CB C 13 39.886 0.030 . 1 . . . . 1805 PHE CB . 16032 1 305 . 1 1 52 52 PHE CD1 C 13 132.013 0.034 . 3 . . . . 1805 PHE CD1 . 16032 1 306 . 1 1 52 52 PHE CE1 C 13 131.187 0.058 . 3 . . . . 1805 PHE CE1 . 16032 1 307 . 1 1 52 52 PHE CZ C 13 129.413 0.019 . 1 . . . . 1805 PHE CZ . 16032 1 308 . 1 1 52 52 PHE N N 15 116.335 0.007 . 1 . . . . 1805 PHE N . 16032 1 309 . 1 1 53 53 ASP H H 1 7.758 0.003 . 1 . . . . 1806 ASP H . 16032 1 310 . 1 1 53 53 ASP HA H 1 5.095 0.002 . 1 . . . . 1806 ASP HA . 16032 1 311 . 1 1 53 53 ASP HB2 H 1 2.125 0.004 . 2 . . . . 1806 ASP HB2 . 16032 1 312 . 1 1 53 53 ASP HB3 H 1 1.575 0.005 . 2 . . . . 1806 ASP HB3 . 16032 1 313 . 1 1 53 53 ASP CA C 13 51.414 0.100 . 1 . . . . 1806 ASP CA . 16032 1 314 . 1 1 53 53 ASP CB C 13 38.985 0.051 . 1 . . . . 1806 ASP CB . 16032 1 315 . 1 1 53 53 ASP N N 15 120.001 0.007 . 1 . . . . 1806 ASP N . 16032 1 316 . 1 1 54 54 PRO HA H 1 4.550 0.003 . 1 . . . . 1807 PRO HA . 16032 1 317 . 1 1 54 54 PRO HB2 H 1 2.317 0.003 . 2 . . . . 1807 PRO HB2 . 16032 1 318 . 1 1 54 54 PRO HB3 H 1 1.992 0.003 . 2 . . . . 1807 PRO HB3 . 16032 1 319 . 1 1 54 54 PRO HD2 H 1 3.701 0.003 . 2 . . . . 1807 PRO HD2 . 16032 1 320 . 1 1 54 54 PRO HD3 H 1 3.101 0.007 . 2 . . . . 1807 PRO HD3 . 16032 1 321 . 1 1 54 54 PRO HG2 H 1 1.956 0.002 . 2 . . . . 1807 PRO HG2 . 16032 1 322 . 1 1 54 54 PRO HG3 H 1 1.873 0.004 . 2 . . . . 1807 PRO HG3 . 16032 1 323 . 1 1 54 54 PRO CA C 13 64.842 0.035 . 1 . . . . 1807 PRO CA . 16032 1 324 . 1 1 54 54 PRO CB C 13 31.452 0.042 . 1 . . . . 1807 PRO CB . 16032 1 325 . 1 1 54 54 PRO CD C 13 50.387 0.012 . 1 . . . . 1807 PRO CD . 16032 1 326 . 1 1 54 54 PRO CG C 13 26.983 0.009 . 1 . . . . 1807 PRO CG . 16032 1 327 . 1 1 55 55 ASP H H 1 9.054 0.003 . 1 . . . . 1808 ASP H . 16032 1 328 . 1 1 55 55 ASP HA H 1 4.813 0.001 . 1 . . . . 1808 ASP HA . 16032 1 329 . 1 1 55 55 ASP HB2 H 1 2.875 0.002 . 2 . . . . 1808 ASP HB2 . 16032 1 330 . 1 1 55 55 ASP HB3 H 1 2.712 0.003 . 2 . . . . 1808 ASP HB3 . 16032 1 331 . 1 1 55 55 ASP CB C 13 39.852 0.011 . 1 . . . . 1808 ASP CB . 16032 1 332 . 1 1 55 55 ASP N N 15 117.653 0.019 . 1 . . . . 1808 ASP N . 16032 1 333 . 1 1 56 56 ALA H H 1 8.351 0.003 . 1 . . . . 1809 ALA H . 16032 1 334 . 1 1 56 56 ALA HA H 1 4.294 0.002 . 1 . . . . 1809 ALA HA . 16032 1 335 . 1 1 56 56 ALA HB1 H 1 1.429 0.002 . 1 . . . . 1809 ALA MB . 16032 1 336 . 1 1 56 56 ALA HB2 H 1 1.429 0.002 . 1 . . . . 1809 ALA MB . 16032 1 337 . 1 1 56 56 ALA HB3 H 1 1.429 0.002 . 1 . . . . 1809 ALA MB . 16032 1 338 . 1 1 56 56 ALA CA C 13 53.237 0.046 . 1 . . . . 1809 ALA CA . 16032 1 339 . 1 1 56 56 ALA CB C 13 15.737 0.026 . 1 . . . . 1809 ALA CB . 16032 1 340 . 1 1 56 56 ALA N N 15 122.448 0.025 . 1 . . . . 1809 ALA N . 16032 1 341 . 1 1 57 57 THR H H 1 9.798 0.004 . 1 . . . . 1810 THR H . 16032 1 342 . 1 1 57 57 THR HA H 1 4.276 0.003 . 1 . . . . 1810 THR HA . 16032 1 343 . 1 1 57 57 THR HB H 1 4.492 0.003 . 1 . . . . 1810 THR HB . 16032 1 344 . 1 1 57 57 THR HG21 H 1 1.398 0.002 . 1 . . . . 1810 THR MG . 16032 1 345 . 1 1 57 57 THR HG22 H 1 1.398 0.002 . 1 . . . . 1810 THR MG . 16032 1 346 . 1 1 57 57 THR HG23 H 1 1.398 0.002 . 1 . . . . 1810 THR MG . 16032 1 347 . 1 1 57 57 THR CA C 13 64.182 0.019 . 1 . . . . 1810 THR CA . 16032 1 348 . 1 1 57 57 THR CB C 13 70.944 0.030 . 1 . . . . 1810 THR CB . 16032 1 349 . 1 1 57 57 THR CG2 C 13 21.924 0.023 . 1 . . . . 1810 THR CG2 . 16032 1 350 . 1 1 57 57 THR N N 15 113.932 0.018 . 1 . . . . 1810 THR N . 16032 1 351 . 1 1 58 58 GLN H H 1 10.576 0.006 . 1 . . . . 1811 GLN H . 16032 1 352 . 1 1 58 58 GLN HA H 1 3.607 0.006 . 1 . . . . 1811 GLN HA . 16032 1 353 . 1 1 58 58 GLN HB2 H 1 2.327 0.004 . 2 . . . . 1811 GLN HB2 . 16032 1 354 . 1 1 58 58 GLN HB3 H 1 1.775 0.012 . 2 . . . . 1811 GLN HB3 . 16032 1 355 . 1 1 58 58 GLN HE21 H 1 7.389 0.001 . 2 . . . . 1811 GLN HE21 . 16032 1 356 . 1 1 58 58 GLN HE22 H 1 6.885 0.004 . 2 . . . . 1811 GLN HE22 . 16032 1 357 . 1 1 58 58 GLN HG2 H 1 2.289 0.003 . 2 . . . . 1811 GLN HG2 . 16032 1 358 . 1 1 58 58 GLN HG3 H 1 2.113 0.002 . 2 . . . . 1811 GLN HG3 . 16032 1 359 . 1 1 58 58 GLN CA C 13 58.121 0.100 . 1 . . . . 1811 GLN CA . 16032 1 360 . 1 1 58 58 GLN CB C 13 26.377 0.027 . 1 . . . . 1811 GLN CB . 16032 1 361 . 1 1 58 58 GLN CG C 13 33.891 0.024 . 1 . . . . 1811 GLN CG . 16032 1 362 . 1 1 58 58 GLN N N 15 113.856 0.016 . 1 . . . . 1811 GLN N . 16032 1 363 . 1 1 59 59 PHE H H 1 8.481 0.006 . 1 . . . . 1812 PHE H . 16032 1 364 . 1 1 59 59 PHE HA H 1 5.589 0.003 . 1 . . . . 1812 PHE HA . 16032 1 365 . 1 1 59 59 PHE HB2 H 1 2.817 0.003 . 2 . . . . 1812 PHE HB2 . 16032 1 366 . 1 1 59 59 PHE HB3 H 1 2.753 0.004 . 2 . . . . 1812 PHE HB3 . 16032 1 367 . 1 1 59 59 PHE HD1 H 1 7.064 0.004 . 3 . . . . 1812 PHE QD . 16032 1 368 . 1 1 59 59 PHE HD2 H 1 7.064 0.004 . 3 . . . . 1812 PHE QD . 16032 1 369 . 1 1 59 59 PHE HE1 H 1 7.454 0.004 . 3 . . . . 1812 PHE QE . 16032 1 370 . 1 1 59 59 PHE HE2 H 1 7.454 0.004 . 3 . . . . 1812 PHE QE . 16032 1 371 . 1 1 59 59 PHE HZ H 1 7.473 0.001 . 1 . . . . 1812 PHE HZ . 16032 1 372 . 1 1 59 59 PHE CA C 13 56.564 0.027 . 1 . . . . 1812 PHE CA . 16032 1 373 . 1 1 59 59 PHE CB C 13 44.293 0.021 . 1 . . . . 1812 PHE CB . 16032 1 374 . 1 1 59 59 PHE CD1 C 13 132.458 0.033 . 3 . . . . 1812 PHE CD1 . 16032 1 375 . 1 1 59 59 PHE CE1 C 13 131.222 0.049 . 3 . . . . 1812 PHE CE1 . 16032 1 376 . 1 1 59 59 PHE CZ C 13 129.623 0.004 . 1 . . . . 1812 PHE CZ . 16032 1 377 . 1 1 59 59 PHE N N 15 116.866 0.022 . 1 . . . . 1812 PHE N . 16032 1 378 . 1 1 60 60 ILE H H 1 8.765 0.005 . 1 . . . . 1813 ILE H . 16032 1 379 . 1 1 60 60 ILE HA H 1 4.514 0.003 . 1 . . . . 1813 ILE HA . 16032 1 380 . 1 1 60 60 ILE HB H 1 1.272 0.001 . 1 . . . . 1813 ILE HB . 16032 1 381 . 1 1 60 60 ILE HD11 H 1 0.026 0.002 . 1 . . . . 1813 ILE MD . 16032 1 382 . 1 1 60 60 ILE HD12 H 1 0.026 0.002 . 1 . . . . 1813 ILE MD . 16032 1 383 . 1 1 60 60 ILE HD13 H 1 0.026 0.002 . 1 . . . . 1813 ILE MD . 16032 1 384 . 1 1 60 60 ILE HG12 H 1 1.262 0.001 . 2 . . . . 1813 ILE HG12 . 16032 1 385 . 1 1 60 60 ILE HG13 H 1 1.199 0.003 . 2 . . . . 1813 ILE HG13 . 16032 1 386 . 1 1 60 60 ILE HG21 H 1 0.500 0.001 . 1 . . . . 1813 ILE MG . 16032 1 387 . 1 1 60 60 ILE HG22 H 1 0.500 0.001 . 1 . . . . 1813 ILE MG . 16032 1 388 . 1 1 60 60 ILE HG23 H 1 0.500 0.001 . 1 . . . . 1813 ILE MG . 16032 1 389 . 1 1 60 60 ILE CA C 13 58.819 0.039 . 1 . . . . 1813 ILE CA . 16032 1 390 . 1 1 60 60 ILE CB C 13 41.702 0.047 . 1 . . . . 1813 ILE CB . 16032 1 391 . 1 1 60 60 ILE CD1 C 13 13.486 0.021 . 1 . . . . 1813 ILE CD1 . 16032 1 392 . 1 1 60 60 ILE CG1 C 13 26.970 0.012 . 1 . . . . 1813 ILE CG1 . 16032 1 393 . 1 1 60 60 ILE CG2 C 13 16.271 0.024 . 1 . . . . 1813 ILE CG2 . 16032 1 394 . 1 1 60 60 ILE N N 15 114.917 0.021 . 1 . . . . 1813 ILE N . 16032 1 395 . 1 1 61 61 GLU H H 1 8.581 0.003 . 1 . . . . 1814 GLU H . 16032 1 396 . 1 1 61 61 GLU HA H 1 4.596 0.003 . 1 . . . . 1814 GLU HA . 16032 1 397 . 1 1 61 61 GLU HB2 H 1 2.315 0.002 . 2 . . . . 1814 GLU HB2 . 16032 1 398 . 1 1 61 61 GLU HB3 H 1 1.979 0.009 . 2 . . . . 1814 GLU HB3 . 16032 1 399 . 1 1 61 61 GLU HG2 H 1 2.399 0.005 . 2 . . . . 1814 GLU QG . 16032 1 400 . 1 1 61 61 GLU HG3 H 1 2.399 0.005 . 2 . . . . 1814 GLU QG . 16032 1 401 . 1 1 61 61 GLU CA C 13 56.264 0.008 . 1 . . . . 1814 GLU CA . 16032 1 402 . 1 1 61 61 GLU CB C 13 30.324 0.020 . 1 . . . . 1814 GLU CB . 16032 1 403 . 1 1 61 61 GLU CG C 13 36.976 0.014 . 1 . . . . 1814 GLU CG . 16032 1 404 . 1 1 61 61 GLU N N 15 124.143 0.015 . 1 . . . . 1814 GLU N . 16032 1 405 . 1 1 62 62 PHE H H 1 9.383 0.005 . 1 . . . . 1815 PHE H . 16032 1 406 . 1 1 62 62 PHE HA H 1 4.082 0.002 . 1 . . . . 1815 PHE HA . 16032 1 407 . 1 1 62 62 PHE HB2 H 1 3.394 0.002 . 2 . . . . 1815 PHE HB2 . 16032 1 408 . 1 1 62 62 PHE HB3 H 1 3.201 0.003 . 2 . . . . 1815 PHE HB3 . 16032 1 409 . 1 1 62 62 PHE HD1 H 1 7.259 0.003 . 3 . . . . 1815 PHE QD . 16032 1 410 . 1 1 62 62 PHE HD2 H 1 7.259 0.003 . 3 . . . . 1815 PHE QD . 16032 1 411 . 1 1 62 62 PHE HE1 H 1 7.266 0.003 . 3 . . . . 1815 PHE QE . 16032 1 412 . 1 1 62 62 PHE HE2 H 1 7.266 0.003 . 3 . . . . 1815 PHE QE . 16032 1 413 . 1 1 62 62 PHE HZ H 1 7.144 0.004 . 1 . . . . 1815 PHE HZ . 16032 1 414 . 1 1 62 62 PHE CA C 13 61.570 0.017 . 1 . . . . 1815 PHE CA . 16032 1 415 . 1 1 62 62 PHE CB C 13 38.714 0.027 . 1 . . . . 1815 PHE CB . 16032 1 416 . 1 1 62 62 PHE CD1 C 13 131.888 0.052 . 3 . . . . 1815 PHE CD1 . 16032 1 417 . 1 1 62 62 PHE CE1 C 13 130.802 0.047 . 3 . . . . 1815 PHE CE1 . 16032 1 418 . 1 1 62 62 PHE CZ C 13 129.293 0.062 . 1 . . . . 1815 PHE CZ . 16032 1 419 . 1 1 62 62 PHE N N 15 125.029 0.026 . 1 . . . . 1815 PHE N . 16032 1 420 . 1 1 63 63 ALA H H 1 9.079 0.002 . 1 . . . . 1816 ALA H . 16032 1 421 . 1 1 63 63 ALA HA H 1 4.083 0.001 . 1 . . . . 1816 ALA HA . 16032 1 422 . 1 1 63 63 ALA HB1 H 1 1.534 0.002 . 1 . . . . 1816 ALA MB . 16032 1 423 . 1 1 63 63 ALA HB2 H 1 1.534 0.002 . 1 . . . . 1816 ALA MB . 16032 1 424 . 1 1 63 63 ALA HB3 H 1 1.534 0.002 . 1 . . . . 1816 ALA MB . 16032 1 425 . 1 1 63 63 ALA CA C 13 54.472 0.048 . 1 . . . . 1816 ALA CA . 16032 1 426 . 1 1 63 63 ALA CB C 13 18.608 0.011 . 1 . . . . 1816 ALA CB . 16032 1 427 . 1 1 63 63 ALA N N 15 118.190 0.005 . 1 . . . . 1816 ALA N . 16032 1 428 . 1 1 64 64 LYS H H 1 7.678 0.003 . 1 . . . . 1817 LYS H . 16032 1 429 . 1 1 64 64 LYS HA H 1 4.581 0.003 . 1 . . . . 1817 LYS HA . 16032 1 430 . 1 1 64 64 LYS HB2 H 1 2.228 0.005 . 2 . . . . 1817 LYS HB2 . 16032 1 431 . 1 1 64 64 LYS HB3 H 1 1.954 0.005 . 2 . . . . 1817 LYS HB3 . 16032 1 432 . 1 1 64 64 LYS HD2 H 1 1.907 0.002 . 2 . . . . 1817 LYS HD2 . 16032 1 433 . 1 1 64 64 LYS HD3 H 1 1.859 0.003 . 2 . . . . 1817 LYS HD3 . 16032 1 434 . 1 1 64 64 LYS HE2 H 1 3.086 0.002 . 2 . . . . 1817 LYS QE . 16032 1 435 . 1 1 64 64 LYS HE3 H 1 3.086 0.002 . 2 . . . . 1817 LYS QE . 16032 1 436 . 1 1 64 64 LYS HG2 H 1 1.673 0.002 . 2 . . . . 1817 LYS HG2 . 16032 1 437 . 1 1 64 64 LYS HG3 H 1 1.567 0.005 . 2 . . . . 1817 LYS HG3 . 16032 1 438 . 1 1 64 64 LYS CA C 13 55.681 0.026 . 1 . . . . 1817 LYS CA . 16032 1 439 . 1 1 64 64 LYS CB C 13 33.112 0.038 . 1 . . . . 1817 LYS CB . 16032 1 440 . 1 1 64 64 LYS CD C 13 28.811 0.028 . 1 . . . . 1817 LYS CD . 16032 1 441 . 1 1 64 64 LYS CE C 13 42.028 0.034 . 1 . . . . 1817 LYS CE . 16032 1 442 . 1 1 64 64 LYS CG C 13 25.251 0.062 . 1 . . . . 1817 LYS CG . 16032 1 443 . 1 1 64 64 LYS N N 15 115.651 0.009 . 1 . . . . 1817 LYS N . 16032 1 444 . 1 1 65 65 LEU H H 1 7.859 0.003 . 1 . . . . 1818 LEU H . 16032 1 445 . 1 1 65 65 LEU HA H 1 3.942 0.003 . 1 . . . . 1818 LEU HA . 16032 1 446 . 1 1 65 65 LEU HB2 H 1 1.814 0.003 . 2 . . . . 1818 LEU HB2 . 16032 1 447 . 1 1 65 65 LEU HB3 H 1 1.325 0.004 . 2 . . . . 1818 LEU HB3 . 16032 1 448 . 1 1 65 65 LEU HD11 H 1 1.084 0.002 . 1 . . . . 1818 LEU MD1 . 16032 1 449 . 1 1 65 65 LEU HD12 H 1 1.084 0.002 . 1 . . . . 1818 LEU MD1 . 16032 1 450 . 1 1 65 65 LEU HD13 H 1 1.084 0.002 . 1 . . . . 1818 LEU MD1 . 16032 1 451 . 1 1 65 65 LEU HD21 H 1 0.993 0.003 . 1 . . . . 1818 LEU MD2 . 16032 1 452 . 1 1 65 65 LEU HD22 H 1 0.993 0.003 . 1 . . . . 1818 LEU MD2 . 16032 1 453 . 1 1 65 65 LEU HD23 H 1 0.993 0.003 . 1 . . . . 1818 LEU MD2 . 16032 1 454 . 1 1 65 65 LEU HG H 1 1.865 0.002 . 1 . . . . 1818 LEU HG . 16032 1 455 . 1 1 65 65 LEU CA C 13 57.385 0.037 . 1 . . . . 1818 LEU CA . 16032 1 456 . 1 1 65 65 LEU CB C 13 42.024 0.041 . 1 . . . . 1818 LEU CB . 16032 1 457 . 1 1 65 65 LEU CD1 C 13 24.130 0.008 . 1 . . . . 1818 LEU CD1 . 16032 1 458 . 1 1 65 65 LEU CD2 C 13 27.069 0.019 . 1 . . . . 1818 LEU CD2 . 16032 1 459 . 1 1 65 65 LEU CG C 13 26.324 0.037 . 1 . . . . 1818 LEU CG . 16032 1 460 . 1 1 65 65 LEU N N 15 121.984 0.024 . 1 . . . . 1818 LEU N . 16032 1 461 . 1 1 66 66 SER H H 1 8.072 0.004 . 1 . . . . 1819 SER H . 16032 1 462 . 1 1 66 66 SER HA H 1 3.984 0.005 . 1 . . . . 1819 SER HA . 16032 1 463 . 1 1 66 66 SER HB2 H 1 3.883 0.003 . 2 . . . . 1819 SER HB2 . 16032 1 464 . 1 1 66 66 SER HB3 H 1 3.802 0.002 . 2 . . . . 1819 SER HB3 . 16032 1 465 . 1 1 66 66 SER CA C 13 60.866 0.033 . 1 . . . . 1819 SER CA . 16032 1 466 . 1 1 66 66 SER CB C 13 62.442 0.018 . 1 . . . . 1819 SER CB . 16032 1 467 . 1 1 66 66 SER N N 15 111.968 0.100 . 1 . . . . 1819 SER N . 16032 1 468 . 1 1 67 67 ASP H H 1 7.792 0.001 . 1 . . . . 1820 ASP H . 16032 1 469 . 1 1 67 67 ASP HA H 1 4.251 0.003 . 1 . . . . 1820 ASP HA . 16032 1 470 . 1 1 67 67 ASP HB2 H 1 2.954 0.005 . 2 . . . . 1820 ASP HB2 . 16032 1 471 . 1 1 67 67 ASP HB3 H 1 2.866 0.004 . 2 . . . . 1820 ASP HB3 . 16032 1 472 . 1 1 67 67 ASP CA C 13 56.992 0.024 . 1 . . . . 1820 ASP CA . 16032 1 473 . 1 1 67 67 ASP CB C 13 40.028 0.025 . 1 . . . . 1820 ASP CB . 16032 1 474 . 1 1 67 67 ASP N N 15 119.523 0.022 . 1 . . . . 1820 ASP N . 16032 1 475 . 1 1 68 68 PHE H H 1 7.867 0.002 . 1 . . . . 1821 PHE H . 16032 1 476 . 1 1 68 68 PHE HA H 1 3.033 0.004 . 1 . . . . 1821 PHE HA . 16032 1 477 . 1 1 68 68 PHE HB2 H 1 2.581 0.004 . 2 . . . . 1821 PHE HB2 . 16032 1 478 . 1 1 68 68 PHE HB3 H 1 1.787 0.002 . 2 . . . . 1821 PHE HB3 . 16032 1 479 . 1 1 68 68 PHE HD1 H 1 6.531 0.003 . 3 . . . . 1821 PHE QD . 16032 1 480 . 1 1 68 68 PHE HD2 H 1 6.531 0.003 . 3 . . . . 1821 PHE QD . 16032 1 481 . 1 1 68 68 PHE HE1 H 1 6.737 0.004 . 3 . . . . 1821 PHE QE . 16032 1 482 . 1 1 68 68 PHE HE2 H 1 6.737 0.004 . 3 . . . . 1821 PHE QE . 16032 1 483 . 1 1 68 68 PHE HZ H 1 6.182 0.003 . 1 . . . . 1821 PHE HZ . 16032 1 484 . 1 1 68 68 PHE CA C 13 60.696 0.019 . 1 . . . . 1821 PHE CA . 16032 1 485 . 1 1 68 68 PHE CB C 13 38.536 0.019 . 1 . . . . 1821 PHE CB . 16032 1 486 . 1 1 68 68 PHE CD1 C 13 130.839 0.070 . 3 . . . . 1821 PHE CD1 . 16032 1 487 . 1 1 68 68 PHE CE1 C 13 130.251 0.087 . 3 . . . . 1821 PHE CE1 . 16032 1 488 . 1 1 68 68 PHE CZ C 13 130.110 0.001 . 1 . . . . 1821 PHE CZ . 16032 1 489 . 1 1 68 68 PHE N N 15 122.108 0.009 . 1 . . . . 1821 PHE N . 16032 1 490 . 1 1 69 69 ALA H H 1 8.648 0.003 . 1 . . . . 1822 ALA H . 16032 1 491 . 1 1 69 69 ALA HA H 1 3.695 0.005 . 1 . . . . 1822 ALA HA . 16032 1 492 . 1 1 69 69 ALA HB1 H 1 1.521 0.002 . 1 . . . . 1822 ALA MB . 16032 1 493 . 1 1 69 69 ALA HB2 H 1 1.521 0.002 . 1 . . . . 1822 ALA MB . 16032 1 494 . 1 1 69 69 ALA HB3 H 1 1.521 0.002 . 1 . . . . 1822 ALA MB . 16032 1 495 . 1 1 69 69 ALA CA C 13 54.411 0.034 . 1 . . . . 1822 ALA CA . 16032 1 496 . 1 1 69 69 ALA CB C 13 18.664 0.025 . 1 . . . . 1822 ALA CB . 16032 1 497 . 1 1 69 69 ALA N N 15 118.445 0.022 . 1 . . . . 1822 ALA N . 16032 1 498 . 1 1 70 70 ASP H H 1 6.838 0.003 . 1 . . . . 1823 ASP H . 16032 1 499 . 1 1 70 70 ASP HA H 1 4.457 0.002 . 1 . . . . 1823 ASP HA . 16032 1 500 . 1 1 70 70 ASP HB2 H 1 2.563 0.004 . 2 . . . . 1823 ASP HB2 . 16032 1 501 . 1 1 70 70 ASP HB3 H 1 2.508 0.007 . 2 . . . . 1823 ASP HB3 . 16032 1 502 . 1 1 70 70 ASP CA C 13 54.692 0.033 . 1 . . . . 1823 ASP CA . 16032 1 503 . 1 1 70 70 ASP CB C 13 44.941 0.027 . 1 . . . . 1823 ASP CB . 16032 1 504 . 1 1 70 70 ASP N N 15 112.750 0.009 . 1 . . . . 1823 ASP N . 16032 1 505 . 1 1 71 71 ALA H H 1 7.303 0.005 . 1 . . . . 1824 ALA H . 16032 1 506 . 1 1 71 71 ALA HA H 1 4.356 0.005 . 1 . . . . 1824 ALA HA . 16032 1 507 . 1 1 71 71 ALA HB1 H 1 1.503 0.002 . 1 . . . . 1824 ALA MB . 16032 1 508 . 1 1 71 71 ALA HB2 H 1 1.503 0.002 . 1 . . . . 1824 ALA MB . 16032 1 509 . 1 1 71 71 ALA HB3 H 1 1.503 0.002 . 1 . . . . 1824 ALA MB . 16032 1 510 . 1 1 71 71 ALA CA C 13 51.321 0.039 . 1 . . . . 1824 ALA CA . 16032 1 511 . 1 1 71 71 ALA CB C 13 19.495 0.009 . 1 . . . . 1824 ALA CB . 16032 1 512 . 1 1 71 71 ALA N N 15 118.945 0.027 . 1 . . . . 1824 ALA N . 16032 1 513 . 1 1 72 72 LEU H H 1 6.314 0.004 . 1 . . . . 1825 LEU H . 16032 1 514 . 1 1 72 72 LEU HA H 1 4.114 0.004 . 1 . . . . 1825 LEU HA . 16032 1 515 . 1 1 72 72 LEU HB2 H 1 1.338 0.006 . 2 . . . . 1825 LEU QB . 16032 1 516 . 1 1 72 72 LEU HB3 H 1 1.338 0.006 . 2 . . . . 1825 LEU QB . 16032 1 517 . 1 1 72 72 LEU HD11 H 1 0.758 0.002 . 1 . . . . 1825 LEU MD1 . 16032 1 518 . 1 1 72 72 LEU HD12 H 1 0.758 0.002 . 1 . . . . 1825 LEU MD1 . 16032 1 519 . 1 1 72 72 LEU HD13 H 1 0.758 0.002 . 1 . . . . 1825 LEU MD1 . 16032 1 520 . 1 1 72 72 LEU HD21 H 1 0.538 0.002 . 1 . . . . 1825 LEU MD2 . 16032 1 521 . 1 1 72 72 LEU HD22 H 1 0.538 0.002 . 1 . . . . 1825 LEU MD2 . 16032 1 522 . 1 1 72 72 LEU HD23 H 1 0.538 0.002 . 1 . . . . 1825 LEU MD2 . 16032 1 523 . 1 1 72 72 LEU HG H 1 1.365 0.008 . 1 . . . . 1825 LEU HG . 16032 1 524 . 1 1 72 72 LEU CA C 13 53.855 0.024 . 1 . . . . 1825 LEU CA . 16032 1 525 . 1 1 72 72 LEU CB C 13 43.576 0.037 . 1 . . . . 1825 LEU CB . 16032 1 526 . 1 1 72 72 LEU CD1 C 13 26.930 0.023 . 1 . . . . 1825 LEU CD1 . 16032 1 527 . 1 1 72 72 LEU CD2 C 13 23.732 0.015 . 1 . . . . 1825 LEU CD2 . 16032 1 528 . 1 1 72 72 LEU CG C 13 25.414 0.028 . 1 . . . . 1825 LEU CG . 16032 1 529 . 1 1 72 72 LEU N N 15 117.783 0.011 . 1 . . . . 1825 LEU N . 16032 1 530 . 1 1 73 73 ASP H H 1 8.000 0.004 . 1 . . . . 1826 ASP H . 16032 1 531 . 1 1 73 73 ASP HA H 1 5.061 0.004 . 1 . . . . 1826 ASP HA . 16032 1 532 . 1 1 73 73 ASP HB2 H 1 2.833 0.005 . 2 . . . . 1826 ASP HB2 . 16032 1 533 . 1 1 73 73 ASP HB3 H 1 2.367 0.002 . 2 . . . . 1826 ASP HB3 . 16032 1 534 . 1 1 73 73 ASP CA C 13 52.241 0.021 . 1 . . . . 1826 ASP CA . 16032 1 535 . 1 1 73 73 ASP CB C 13 39.694 0.009 . 1 . . . . 1826 ASP CB . 16032 1 536 . 1 1 73 73 ASP N N 15 119.065 0.004 . 1 . . . . 1826 ASP N . 16032 1 537 . 1 1 74 74 PRO HA H 1 4.354 0.002 . 1 . . . . 1827 PRO HA . 16032 1 538 . 1 1 74 74 PRO HB2 H 1 2.372 0.003 . 2 . . . . 1827 PRO HB2 . 16032 1 539 . 1 1 74 74 PRO HB3 H 1 1.839 0.004 . 2 . . . . 1827 PRO HB3 . 16032 1 540 . 1 1 74 74 PRO HD2 H 1 3.828 0.002 . 2 . . . . 1827 PRO HD2 . 16032 1 541 . 1 1 74 74 PRO HD3 H 1 3.651 0.003 . 2 . . . . 1827 PRO HD3 . 16032 1 542 . 1 1 74 74 PRO HG2 H 1 2.142 0.001 . 2 . . . . 1827 PRO HG2 . 16032 1 543 . 1 1 74 74 PRO HG3 H 1 2.004 0.010 . 2 . . . . 1827 PRO HG3 . 16032 1 544 . 1 1 74 74 PRO CA C 13 62.700 0.019 . 1 . . . . 1827 PRO CA . 16032 1 545 . 1 1 74 74 PRO CB C 13 30.086 0.024 . 1 . . . . 1827 PRO CB . 16032 1 546 . 1 1 74 74 PRO CD C 13 50.153 0.015 . 1 . . . . 1827 PRO CD . 16032 1 547 . 1 1 74 74 PRO CG C 13 27.706 0.016 . 1 . . . . 1827 PRO CG . 16032 1 548 . 1 1 75 75 PRO HA H 1 4.606 0.003 . 1 . . . . 1828 PRO HA . 16032 1 549 . 1 1 75 75 PRO HB2 H 1 2.299 0.004 . 2 . . . . 1828 PRO HB2 . 16032 1 550 . 1 1 75 75 PRO HB3 H 1 2.209 0.003 . 2 . . . . 1828 PRO HB3 . 16032 1 551 . 1 1 75 75 PRO HD2 H 1 3.531 0.003 . 2 . . . . 1828 PRO HD2 . 16032 1 552 . 1 1 75 75 PRO HD3 H 1 3.441 0.006 . 2 . . . . 1828 PRO HD3 . 16032 1 553 . 1 1 75 75 PRO HG2 H 1 2.097 0.005 . 2 . . . . 1828 PRO HG2 . 16032 1 554 . 1 1 75 75 PRO HG3 H 1 1.428 0.003 . 2 . . . . 1828 PRO HG3 . 16032 1 555 . 1 1 75 75 PRO CA C 13 63.345 0.014 . 1 . . . . 1828 PRO CA . 16032 1 556 . 1 1 75 75 PRO CB C 13 33.970 0.034 . 1 . . . . 1828 PRO CB . 16032 1 557 . 1 1 75 75 PRO CD C 13 49.931 0.029 . 1 . . . . 1828 PRO CD . 16032 1 558 . 1 1 75 75 PRO CG C 13 24.578 0.021 . 1 . . . . 1828 PRO CG . 16032 1 559 . 1 1 76 76 LEU H H 1 7.720 0.004 . 1 . . . . 1829 LEU H . 16032 1 560 . 1 1 76 76 LEU HA H 1 4.073 0.001 . 1 . . . . 1829 LEU HA . 16032 1 561 . 1 1 76 76 LEU HB2 H 1 1.838 0.004 . 2 . . . . 1829 LEU HB2 . 16032 1 562 . 1 1 76 76 LEU HB3 H 1 1.557 0.004 . 2 . . . . 1829 LEU HB3 . 16032 1 563 . 1 1 76 76 LEU HD11 H 1 0.871 0.002 . 1 . . . . 1829 LEU MD1 . 16032 1 564 . 1 1 76 76 LEU HD12 H 1 0.871 0.002 . 1 . . . . 1829 LEU MD1 . 16032 1 565 . 1 1 76 76 LEU HD13 H 1 0.871 0.002 . 1 . . . . 1829 LEU MD1 . 16032 1 566 . 1 1 76 76 LEU HD21 H 1 0.783 0.004 . 1 . . . . 1829 LEU MD2 . 16032 1 567 . 1 1 76 76 LEU HD22 H 1 0.783 0.004 . 1 . . . . 1829 LEU MD2 . 16032 1 568 . 1 1 76 76 LEU HD23 H 1 0.783 0.004 . 1 . . . . 1829 LEU MD2 . 16032 1 569 . 1 1 76 76 LEU HG H 1 1.485 0.003 . 1 . . . . 1829 LEU HG . 16032 1 570 . 1 1 76 76 LEU CA C 13 56.536 0.024 . 1 . . . . 1829 LEU CA . 16032 1 571 . 1 1 76 76 LEU CB C 13 43.598 0.054 . 1 . . . . 1829 LEU CB . 16032 1 572 . 1 1 76 76 LEU CD1 C 13 25.802 0.024 . 1 . . . . 1829 LEU CD1 . 16032 1 573 . 1 1 76 76 LEU CD2 C 13 23.427 0.042 . 1 . . . . 1829 LEU CD2 . 16032 1 574 . 1 1 76 76 LEU CG C 13 27.577 0.100 . 1 . . . . 1829 LEU CG . 16032 1 575 . 1 1 76 76 LEU N N 15 122.500 0.100 . 1 . . . . 1829 LEU N . 16032 1 576 . 1 1 77 77 LEU H H 1 6.341 0.003 . 1 . . . . 1830 LEU H . 16032 1 577 . 1 1 77 77 LEU HA H 1 3.761 0.004 . 1 . . . . 1830 LEU HA . 16032 1 578 . 1 1 77 77 LEU HB2 H 1 1.287 0.003 . 2 . . . . 1830 LEU HB2 . 16032 1 579 . 1 1 77 77 LEU HB3 H 1 1.152 0.003 . 2 . . . . 1830 LEU HB3 . 16032 1 580 . 1 1 77 77 LEU HD11 H 1 0.982 0.002 . 1 . . . . 1830 LEU MD1 . 16032 1 581 . 1 1 77 77 LEU HD12 H 1 0.982 0.002 . 1 . . . . 1830 LEU MD1 . 16032 1 582 . 1 1 77 77 LEU HD13 H 1 0.982 0.002 . 1 . . . . 1830 LEU MD1 . 16032 1 583 . 1 1 77 77 LEU HD21 H 1 0.856 0.002 . 1 . . . . 1830 LEU MD2 . 16032 1 584 . 1 1 77 77 LEU HD22 H 1 0.856 0.002 . 1 . . . . 1830 LEU MD2 . 16032 1 585 . 1 1 77 77 LEU HD23 H 1 0.856 0.002 . 1 . . . . 1830 LEU MD2 . 16032 1 586 . 1 1 77 77 LEU HG H 1 1.281 0.003 . 1 . . . . 1830 LEU HG . 16032 1 587 . 1 1 77 77 LEU CA C 13 55.851 0.012 . 1 . . . . 1830 LEU CA . 16032 1 588 . 1 1 77 77 LEU CB C 13 42.753 0.055 . 1 . . . . 1830 LEU CB . 16032 1 589 . 1 1 77 77 LEU CD1 C 13 22.232 0.013 . 1 . . . . 1830 LEU CD1 . 16032 1 590 . 1 1 77 77 LEU CD2 C 13 26.225 0.034 . 1 . . . . 1830 LEU CD2 . 16032 1 591 . 1 1 77 77 LEU CG C 13 26.855 0.020 . 1 . . . . 1830 LEU CG . 16032 1 592 . 1 1 77 77 LEU N N 15 116.789 0.024 . 1 . . . . 1830 LEU N . 16032 1 593 . 1 1 78 78 ILE H H 1 7.282 0.004 . 1 . . . . 1831 ILE H . 16032 1 594 . 1 1 78 78 ILE HA H 1 3.966 0.003 . 1 . . . . 1831 ILE HA . 16032 1 595 . 1 1 78 78 ILE HB H 1 1.532 0.006 . 1 . . . . 1831 ILE HB . 16032 1 596 . 1 1 78 78 ILE HD11 H 1 0.005 0.002 . 1 . . . . 1831 ILE MD . 16032 1 597 . 1 1 78 78 ILE HD12 H 1 0.005 0.002 . 1 . . . . 1831 ILE MD . 16032 1 598 . 1 1 78 78 ILE HD13 H 1 0.005 0.002 . 1 . . . . 1831 ILE MD . 16032 1 599 . 1 1 78 78 ILE HG12 H 1 1.491 0.004 . 2 . . . . 1831 ILE HG12 . 16032 1 600 . 1 1 78 78 ILE HG13 H 1 0.443 0.003 . 2 . . . . 1831 ILE HG13 . 16032 1 601 . 1 1 78 78 ILE HG21 H 1 0.611 0.002 . 1 . . . . 1831 ILE MG . 16032 1 602 . 1 1 78 78 ILE HG22 H 1 0.611 0.002 . 1 . . . . 1831 ILE MG . 16032 1 603 . 1 1 78 78 ILE HG23 H 1 0.611 0.002 . 1 . . . . 1831 ILE MG . 16032 1 604 . 1 1 78 78 ILE CA C 13 60.881 0.022 . 1 . . . . 1831 ILE CA . 16032 1 605 . 1 1 78 78 ILE CB C 13 37.521 0.027 . 1 . . . . 1831 ILE CB . 16032 1 606 . 1 1 78 78 ILE CD1 C 13 13.909 0.032 . 1 . . . . 1831 ILE CD1 . 16032 1 607 . 1 1 78 78 ILE CG1 C 13 25.761 0.027 . 1 . . . . 1831 ILE CG1 . 16032 1 608 . 1 1 78 78 ILE CG2 C 13 18.351 0.011 . 1 . . . . 1831 ILE CG2 . 16032 1 609 . 1 1 78 78 ILE N N 15 127.101 0.002 . 1 . . . . 1831 ILE N . 16032 1 610 . 1 1 79 79 ALA H H 1 8.467 0.004 . 1 . . . . 1832 ALA H . 16032 1 611 . 1 1 79 79 ALA HA H 1 4.586 0.002 . 1 . . . . 1832 ALA HA . 16032 1 612 . 1 1 79 79 ALA HB1 H 1 1.296 0.002 . 1 . . . . 1832 ALA MB . 16032 1 613 . 1 1 79 79 ALA HB2 H 1 1.296 0.002 . 1 . . . . 1832 ALA MB . 16032 1 614 . 1 1 79 79 ALA HB3 H 1 1.296 0.002 . 1 . . . . 1832 ALA MB . 16032 1 615 . 1 1 79 79 ALA CA C 13 51.877 0.034 . 1 . . . . 1832 ALA CA . 16032 1 616 . 1 1 79 79 ALA CB C 13 18.770 0.100 . 1 . . . . 1832 ALA CB . 16032 1 617 . 1 1 79 79 ALA N N 15 128.751 0.004 . 1 . . . . 1832 ALA N . 16032 1 618 . 1 1 80 80 LYS H H 1 8.571 0.004 . 1 . . . . 1833 LYS H . 16032 1 619 . 1 1 80 80 LYS HA H 1 3.914 0.004 . 1 . . . . 1833 LYS HA . 16032 1 620 . 1 1 80 80 LYS HB2 H 1 1.786 0.004 . 2 . . . . 1833 LYS HB2 . 16032 1 621 . 1 1 80 80 LYS HB3 H 1 1.507 0.004 . 2 . . . . 1833 LYS HB3 . 16032 1 622 . 1 1 80 80 LYS HD2 H 1 1.635 0.005 . 2 . . . . 1833 LYS HD2 . 16032 1 623 . 1 1 80 80 LYS HD3 H 1 1.580 0.010 . 2 . . . . 1833 LYS HD3 . 16032 1 624 . 1 1 80 80 LYS HE2 H 1 2.944 0.003 . 2 . . . . 1833 LYS HE2 . 16032 1 625 . 1 1 80 80 LYS HE3 H 1 2.848 0.001 . 2 . . . . 1833 LYS HE3 . 16032 1 626 . 1 1 80 80 LYS HG2 H 1 1.327 0.004 . 2 . . . . 1833 LYS QG . 16032 1 627 . 1 1 80 80 LYS HG3 H 1 1.327 0.004 . 2 . . . . 1833 LYS QG . 16032 1 628 . 1 1 80 80 LYS CA C 13 55.907 0.036 . 1 . . . . 1833 LYS CA . 16032 1 629 . 1 1 80 80 LYS CB C 13 31.938 0.017 . 1 . . . . 1833 LYS CB . 16032 1 630 . 1 1 80 80 LYS CD C 13 29.868 0.040 . 1 . . . . 1833 LYS CD . 16032 1 631 . 1 1 80 80 LYS CE C 13 42.056 0.033 . 1 . . . . 1833 LYS CE . 16032 1 632 . 1 1 80 80 LYS CG C 13 26.844 0.037 . 1 . . . . 1833 LYS CG . 16032 1 633 . 1 1 80 80 LYS N N 15 119.412 0.016 . 1 . . . . 1833 LYS N . 16032 1 634 . 1 1 81 81 PRO HA H 1 4.467 0.004 . 1 . . . . 1834 PRO HA . 16032 1 635 . 1 1 81 81 PRO HB2 H 1 2.388 0.002 . 2 . . . . 1834 PRO HB2 . 16032 1 636 . 1 1 81 81 PRO HB3 H 1 2.248 0.004 . 2 . . . . 1834 PRO HB3 . 16032 1 637 . 1 1 81 81 PRO HD2 H 1 3.570 0.002 . 2 . . . . 1834 PRO QD . 16032 1 638 . 1 1 81 81 PRO HD3 H 1 3.570 0.002 . 2 . . . . 1834 PRO QD . 16032 1 639 . 1 1 81 81 PRO HG2 H 1 2.158 0.002 . 2 . . . . 1834 PRO HG2 . 16032 1 640 . 1 1 81 81 PRO HG3 H 1 1.935 0.001 . 2 . . . . 1834 PRO HG3 . 16032 1 641 . 1 1 81 81 PRO CA C 13 62.394 0.026 . 1 . . . . 1834 PRO CA . 16032 1 642 . 1 1 81 81 PRO CB C 13 33.376 0.011 . 1 . . . . 1834 PRO CB . 16032 1 643 . 1 1 81 81 PRO CD C 13 50.246 0.018 . 1 . . . . 1834 PRO CD . 16032 1 644 . 1 1 81 81 PRO CG C 13 24.861 0.011 . 1 . . . . 1834 PRO CG . 16032 1 645 . 1 1 82 82 ASN HA H 1 5.110 0.006 . 1 . . . . 1835 ASN HA . 16032 1 646 . 1 1 82 82 ASN HB2 H 1 2.761 0.004 . 2 . . . . 1835 ASN HB2 . 16032 1 647 . 1 1 82 82 ASN HB3 H 1 2.626 0.007 . 2 . . . . 1835 ASN HB3 . 16032 1 648 . 1 1 82 82 ASN HD21 H 1 8.089 0.003 . 2 . . . . 1835 ASN HD21 . 16032 1 649 . 1 1 82 82 ASN HD22 H 1 7.603 0.004 . 2 . . . . 1835 ASN HD22 . 16032 1 650 . 1 1 82 82 ASN CA C 13 51.127 0.034 . 1 . . . . 1835 ASN CA . 16032 1 651 . 1 1 82 82 ASN CB C 13 39.245 0.024 . 1 . . . . 1835 ASN CB . 16032 1 652 . 1 1 83 83 LYS H H 1 7.864 0.005 . 1 . . . . 1836 LYS H . 16032 1 653 . 1 1 83 83 LYS HA H 1 3.861 0.002 . 1 . . . . 1836 LYS HA . 16032 1 654 . 1 1 83 83 LYS HB2 H 1 2.007 0.003 . 2 . . . . 1836 LYS HB2 . 16032 1 655 . 1 1 83 83 LYS HB3 H 1 1.918 0.003 . 2 . . . . 1836 LYS HB3 . 16032 1 656 . 1 1 83 83 LYS HD2 H 1 1.769 0.004 . 2 . . . . 1836 LYS QD . 16032 1 657 . 1 1 83 83 LYS HD3 H 1 1.769 0.004 . 2 . . . . 1836 LYS QD . 16032 1 658 . 1 1 83 83 LYS HE2 H 1 3.017 0.002 . 2 . . . . 1836 LYS QE . 16032 1 659 . 1 1 83 83 LYS HE3 H 1 3.017 0.002 . 2 . . . . 1836 LYS QE . 16032 1 660 . 1 1 83 83 LYS HG2 H 1 1.673 0.001 . 2 . . . . 1836 LYS HG2 . 16032 1 661 . 1 1 83 83 LYS HG3 H 1 1.494 0.002 . 2 . . . . 1836 LYS HG3 . 16032 1 662 . 1 1 83 83 LYS CA C 13 60.887 0.039 . 1 . . . . 1836 LYS CA . 16032 1 663 . 1 1 83 83 LYS CB C 13 32.290 0.022 . 1 . . . . 1836 LYS CB . 16032 1 664 . 1 1 83 83 LYS CD C 13 29.089 0.047 . 1 . . . . 1836 LYS CD . 16032 1 665 . 1 1 83 83 LYS CE C 13 41.715 0.026 . 1 . . . . 1836 LYS CE . 16032 1 666 . 1 1 83 83 LYS CG C 13 25.207 0.025 . 1 . . . . 1836 LYS CG . 16032 1 667 . 1 1 83 83 LYS N N 15 120.773 0.013 . 1 . . . . 1836 LYS N . 16032 1 668 . 1 1 84 84 VAL H H 1 8.349 0.004 . 1 . . . . 1837 VAL H . 16032 1 669 . 1 1 84 84 VAL HA H 1 3.585 0.002 . 1 . . . . 1837 VAL HA . 16032 1 670 . 1 1 84 84 VAL HB H 1 1.996 0.002 . 1 . . . . 1837 VAL HB . 16032 1 671 . 1 1 84 84 VAL HG11 H 1 0.928 0.001 . 1 . . . . 1837 VAL MG1 . 16032 1 672 . 1 1 84 84 VAL HG12 H 1 0.928 0.001 . 1 . . . . 1837 VAL MG1 . 16032 1 673 . 1 1 84 84 VAL HG13 H 1 0.928 0.001 . 1 . . . . 1837 VAL MG1 . 16032 1 674 . 1 1 84 84 VAL HG21 H 1 1.050 0.004 . 1 . . . . 1837 VAL MG2 . 16032 1 675 . 1 1 84 84 VAL HG22 H 1 1.050 0.004 . 1 . . . . 1837 VAL MG2 . 16032 1 676 . 1 1 84 84 VAL HG23 H 1 1.050 0.004 . 1 . . . . 1837 VAL MG2 . 16032 1 677 . 1 1 84 84 VAL CA C 13 66.547 0.039 . 1 . . . . 1837 VAL CA . 16032 1 678 . 1 1 84 84 VAL CB C 13 31.184 0.021 . 1 . . . . 1837 VAL CB . 16032 1 679 . 1 1 84 84 VAL CG1 C 13 20.661 0.012 . 1 . . . . 1837 VAL CG1 . 16032 1 680 . 1 1 84 84 VAL CG2 C 13 22.265 0.019 . 1 . . . . 1837 VAL CG2 . 16032 1 681 . 1 1 84 84 VAL N N 15 117.444 0.009 . 1 . . . . 1837 VAL N . 16032 1 682 . 1 1 85 85 GLN H H 1 8.612 0.006 . 1 . . . . 1838 GLN H . 16032 1 683 . 1 1 85 85 GLN HA H 1 3.974 0.004 . 1 . . . . 1838 GLN HA . 16032 1 684 . 1 1 85 85 GLN HB2 H 1 1.993 0.001 . 2 . . . . 1838 GLN HB2 . 16032 1 685 . 1 1 85 85 GLN HB3 H 1 1.822 0.002 . 2 . . . . 1838 GLN HB3 . 16032 1 686 . 1 1 85 85 GLN HE21 H 1 7.585 0.001 . 2 . . . . 1838 GLN HE21 . 16032 1 687 . 1 1 85 85 GLN HE22 H 1 6.971 0.004 . 2 . . . . 1838 GLN HE22 . 16032 1 688 . 1 1 85 85 GLN HG2 H 1 2.424 0.018 . 2 . . . . 1838 GLN HG2 . 16032 1 689 . 1 1 85 85 GLN HG3 H 1 2.364 0.002 . 2 . . . . 1838 GLN HG3 . 16032 1 690 . 1 1 85 85 GLN CA C 13 59.362 0.018 . 1 . . . . 1838 GLN CA . 16032 1 691 . 1 1 85 85 GLN CB C 13 28.269 0.014 . 1 . . . . 1838 GLN CB . 16032 1 692 . 1 1 85 85 GLN CG C 13 34.664 0.021 . 1 . . . . 1838 GLN CG . 16032 1 693 . 1 1 85 85 GLN N N 15 119.611 0.007 . 1 . . . . 1838 GLN N . 16032 1 694 . 1 1 86 86 LEU H H 1 7.917 0.003 . 1 . . . . 1839 LEU H . 16032 1 695 . 1 1 86 86 LEU HA H 1 4.417 0.003 . 1 . . . . 1839 LEU HA . 16032 1 696 . 1 1 86 86 LEU HB2 H 1 2.043 0.002 . 2 . . . . 1839 LEU HB2 . 16032 1 697 . 1 1 86 86 LEU HB3 H 1 1.399 0.005 . 2 . . . . 1839 LEU HB3 . 16032 1 698 . 1 1 86 86 LEU HD11 H 1 0.610 0.002 . 1 . . . . 1839 LEU MD1 . 16032 1 699 . 1 1 86 86 LEU HD12 H 1 0.610 0.002 . 1 . . . . 1839 LEU MD1 . 16032 1 700 . 1 1 86 86 LEU HD13 H 1 0.610 0.002 . 1 . . . . 1839 LEU MD1 . 16032 1 701 . 1 1 86 86 LEU HD21 H 1 0.926 0.001 . 1 . . . . 1839 LEU MD2 . 16032 1 702 . 1 1 86 86 LEU HD22 H 1 0.926 0.001 . 1 . . . . 1839 LEU MD2 . 16032 1 703 . 1 1 86 86 LEU HD23 H 1 0.926 0.001 . 1 . . . . 1839 LEU MD2 . 16032 1 704 . 1 1 86 86 LEU HG H 1 1.927 0.002 . 1 . . . . 1839 LEU HG . 16032 1 705 . 1 1 86 86 LEU CA C 13 57.367 0.073 . 1 . . . . 1839 LEU CA . 16032 1 706 . 1 1 86 86 LEU CB C 13 41.383 0.022 . 1 . . . . 1839 LEU CB . 16032 1 707 . 1 1 86 86 LEU CD1 C 13 24.748 0.026 . 1 . . . . 1839 LEU CD1 . 16032 1 708 . 1 1 86 86 LEU CD2 C 13 22.837 0.009 . 1 . . . . 1839 LEU CD2 . 16032 1 709 . 1 1 86 86 LEU CG C 13 26.607 0.002 . 1 . . . . 1839 LEU CG . 16032 1 710 . 1 1 86 86 LEU N N 15 118.323 0.012 . 1 . . . . 1839 LEU N . 16032 1 711 . 1 1 87 87 ILE H H 1 8.702 0.003 . 1 . . . . 1840 ILE H . 16032 1 712 . 1 1 87 87 ILE HA H 1 3.852 0.004 . 1 . . . . 1840 ILE HA . 16032 1 713 . 1 1 87 87 ILE HB H 1 2.015 0.002 . 1 . . . . 1840 ILE HB . 16032 1 714 . 1 1 87 87 ILE HD11 H 1 0.930 0.001 . 1 . . . . 1840 ILE MD . 16032 1 715 . 1 1 87 87 ILE HD12 H 1 0.930 0.001 . 1 . . . . 1840 ILE MD . 16032 1 716 . 1 1 87 87 ILE HD13 H 1 0.930 0.001 . 1 . . . . 1840 ILE MD . 16032 1 717 . 1 1 87 87 ILE HG12 H 1 1.933 0.002 . 2 . . . . 1840 ILE HG12 . 16032 1 718 . 1 1 87 87 ILE HG13 H 1 1.331 0.004 . 2 . . . . 1840 ILE HG13 . 16032 1 719 . 1 1 87 87 ILE HG21 H 1 0.976 0.001 . 1 . . . . 1840 ILE MG . 16032 1 720 . 1 1 87 87 ILE HG22 H 1 0.976 0.001 . 1 . . . . 1840 ILE MG . 16032 1 721 . 1 1 87 87 ILE HG23 H 1 0.976 0.001 . 1 . . . . 1840 ILE MG . 16032 1 722 . 1 1 87 87 ILE CA C 13 64.799 0.019 . 1 . . . . 1840 ILE CA . 16032 1 723 . 1 1 87 87 ILE CB C 13 37.738 0.014 . 1 . . . . 1840 ILE CB . 16032 1 724 . 1 1 87 87 ILE CD1 C 13 13.183 0.006 . 1 . . . . 1840 ILE CD1 . 16032 1 725 . 1 1 87 87 ILE CG1 C 13 29.536 0.042 . 1 . . . . 1840 ILE CG1 . 16032 1 726 . 1 1 87 87 ILE CG2 C 13 16.858 0.004 . 1 . . . . 1840 ILE CG2 . 16032 1 727 . 1 1 87 87 ILE N N 15 121.697 0.007 . 1 . . . . 1840 ILE N . 16032 1 728 . 1 1 88 88 ALA H H 1 7.740 0.004 . 1 . . . . 1841 ALA H . 16032 1 729 . 1 1 88 88 ALA HA H 1 4.216 0.003 . 1 . . . . 1841 ALA HA . 16032 1 730 . 1 1 88 88 ALA HB1 H 1 1.509 0.003 . 1 . . . . 1841 ALA MB . 16032 1 731 . 1 1 88 88 ALA HB2 H 1 1.509 0.003 . 1 . . . . 1841 ALA MB . 16032 1 732 . 1 1 88 88 ALA HB3 H 1 1.509 0.003 . 1 . . . . 1841 ALA MB . 16032 1 733 . 1 1 88 88 ALA CA C 13 53.482 0.009 . 1 . . . . 1841 ALA CA . 16032 1 734 . 1 1 88 88 ALA CB C 13 17.939 0.028 . 1 . . . . 1841 ALA CB . 16032 1 735 . 1 1 88 88 ALA N N 15 120.787 0.005 . 1 . . . . 1841 ALA N . 16032 1 736 . 1 1 89 89 MET H H 1 7.289 0.003 . 1 . . . . 1842 MET H . 16032 1 737 . 1 1 89 89 MET HA H 1 4.091 0.002 . 1 . . . . 1842 MET HA . 16032 1 738 . 1 1 89 89 MET HB2 H 1 2.231 0.002 . 2 . . . . 1842 MET HB2 . 16032 1 739 . 1 1 89 89 MET HB3 H 1 2.079 0.004 . 2 . . . . 1842 MET HB3 . 16032 1 740 . 1 1 89 89 MET HE1 H 1 1.767 0.001 . 1 . . . . 1842 MET ME . 16032 1 741 . 1 1 89 89 MET HE2 H 1 1.767 0.001 . 1 . . . . 1842 MET ME . 16032 1 742 . 1 1 89 89 MET HE3 H 1 1.767 0.001 . 1 . . . . 1842 MET ME . 16032 1 743 . 1 1 89 89 MET HG2 H 1 3.183 0.005 . 2 . . . . 1842 MET HG2 . 16032 1 744 . 1 1 89 89 MET HG3 H 1 2.603 0.004 . 2 . . . . 1842 MET HG3 . 16032 1 745 . 1 1 89 89 MET CA C 13 57.946 0.029 . 1 . . . . 1842 MET CA . 16032 1 746 . 1 1 89 89 MET CB C 13 32.640 0.036 . 1 . . . . 1842 MET CB . 16032 1 747 . 1 1 89 89 MET CE C 13 18.128 0.009 . 1 . . . . 1842 MET CE . 16032 1 748 . 1 1 89 89 MET CG C 13 33.449 0.035 . 1 . . . . 1842 MET CG . 16032 1 749 . 1 1 89 89 MET N N 15 115.679 0.013 . 1 . . . . 1842 MET N . 16032 1 750 . 1 1 90 90 ASP H H 1 7.954 0.004 . 1 . . . . 1843 ASP H . 16032 1 751 . 1 1 90 90 ASP HA H 1 4.341 0.001 . 1 . . . . 1843 ASP HA . 16032 1 752 . 1 1 90 90 ASP HB2 H 1 3.025 0.002 . 2 . . . . 1843 ASP HB2 . 16032 1 753 . 1 1 90 90 ASP HB3 H 1 2.332 0.002 . 2 . . . . 1843 ASP HB3 . 16032 1 754 . 1 1 90 90 ASP CA C 13 54.069 0.024 . 1 . . . . 1843 ASP CA . 16032 1 755 . 1 1 90 90 ASP CB C 13 38.901 0.100 . 1 . . . . 1843 ASP CB . 16032 1 756 . 1 1 90 90 ASP N N 15 118.884 0.019 . 1 . . . . 1843 ASP N . 16032 1 757 . 1 1 91 91 LEU H H 1 9.111 0.004 . 1 . . . . 1844 LEU H . 16032 1 758 . 1 1 91 91 LEU HA H 1 4.307 0.003 . 1 . . . . 1844 LEU HA . 16032 1 759 . 1 1 91 91 LEU HB2 H 1 1.804 0.003 . 2 . . . . 1844 LEU HB2 . 16032 1 760 . 1 1 91 91 LEU HB3 H 1 1.261 0.003 . 2 . . . . 1844 LEU HB3 . 16032 1 761 . 1 1 91 91 LEU HD11 H 1 1.096 0.003 . 1 . . . . 1844 LEU MD1 . 16032 1 762 . 1 1 91 91 LEU HD12 H 1 1.096 0.003 . 1 . . . . 1844 LEU MD1 . 16032 1 763 . 1 1 91 91 LEU HD13 H 1 1.096 0.003 . 1 . . . . 1844 LEU MD1 . 16032 1 764 . 1 1 91 91 LEU HD21 H 1 0.939 0.001 . 1 . . . . 1844 LEU MD2 . 16032 1 765 . 1 1 91 91 LEU HD22 H 1 0.939 0.001 . 1 . . . . 1844 LEU MD2 . 16032 1 766 . 1 1 91 91 LEU HD23 H 1 0.939 0.001 . 1 . . . . 1844 LEU MD2 . 16032 1 767 . 1 1 91 91 LEU HG H 1 1.694 0.002 . 1 . . . . 1844 LEU HG . 16032 1 768 . 1 1 91 91 LEU CA C 13 53.248 0.031 . 1 . . . . 1844 LEU CA . 16032 1 769 . 1 1 91 91 LEU CB C 13 41.047 0.027 . 1 . . . . 1844 LEU CB . 16032 1 770 . 1 1 91 91 LEU CD1 C 13 26.615 0.038 . 1 . . . . 1844 LEU CD1 . 16032 1 771 . 1 1 91 91 LEU CD2 C 13 24.154 0.017 . 1 . . . . 1844 LEU CD2 . 16032 1 772 . 1 1 91 91 LEU CG C 13 27.278 0.100 . 1 . . . . 1844 LEU CG . 16032 1 773 . 1 1 91 91 LEU N N 15 121.190 0.002 . 1 . . . . 1844 LEU N . 16032 1 774 . 1 1 92 92 PRO HA H 1 4.490 0.002 . 1 . . . . 1845 PRO HA . 16032 1 775 . 1 1 92 92 PRO HB2 H 1 2.230 0.001 . 2 . . . . 1845 PRO HB2 . 16032 1 776 . 1 1 92 92 PRO HB3 H 1 1.975 0.001 . 2 . . . . 1845 PRO HB3 . 16032 1 777 . 1 1 92 92 PRO HD2 H 1 4.028 0.004 . 2 . . . . 1845 PRO HD2 . 16032 1 778 . 1 1 92 92 PRO HD3 H 1 3.444 0.003 . 2 . . . . 1845 PRO HD3 . 16032 1 779 . 1 1 92 92 PRO HG2 H 1 2.168 0.002 . 2 . . . . 1845 PRO HG2 . 16032 1 780 . 1 1 92 92 PRO HG3 H 1 2.059 0.001 . 2 . . . . 1845 PRO HG3 . 16032 1 781 . 1 1 92 92 PRO CA C 13 62.334 0.041 . 1 . . . . 1845 PRO CA . 16032 1 782 . 1 1 92 92 PRO CB C 13 30.901 0.009 . 1 . . . . 1845 PRO CB . 16032 1 783 . 1 1 92 92 PRO CD C 13 50.390 0.023 . 1 . . . . 1845 PRO CD . 16032 1 784 . 1 1 92 92 PRO CG C 13 27.513 0.027 . 1 . . . . 1845 PRO CG . 16032 1 785 . 1 1 93 93 MET H H 1 8.388 0.004 . 1 . . . . 1846 MET H . 16032 1 786 . 1 1 93 93 MET HA H 1 5.248 0.003 . 1 . . . . 1846 MET HA . 16032 1 787 . 1 1 93 93 MET HB2 H 1 1.948 0.003 . 2 . . . . 1846 MET HB2 . 16032 1 788 . 1 1 93 93 MET HB3 H 1 1.901 0.002 . 2 . . . . 1846 MET HB3 . 16032 1 789 . 1 1 93 93 MET HE1 H 1 1.743 0.001 . 1 . . . . 1846 MET ME . 16032 1 790 . 1 1 93 93 MET HE2 H 1 1.743 0.001 . 1 . . . . 1846 MET ME . 16032 1 791 . 1 1 93 93 MET HE3 H 1 1.743 0.001 . 1 . . . . 1846 MET ME . 16032 1 792 . 1 1 93 93 MET HG2 H 1 2.506 0.002 . 2 . . . . 1846 MET HG2 . 16032 1 793 . 1 1 93 93 MET HG3 H 1 2.296 0.002 . 2 . . . . 1846 MET HG3 . 16032 1 794 . 1 1 93 93 MET CA C 13 54.155 0.029 . 1 . . . . 1846 MET CA . 16032 1 795 . 1 1 93 93 MET CB C 13 35.920 0.032 . 1 . . . . 1846 MET CB . 16032 1 796 . 1 1 93 93 MET CE C 13 16.856 0.005 . 1 . . . . 1846 MET CE . 16032 1 797 . 1 1 93 93 MET CG C 13 31.974 0.024 . 1 . . . . 1846 MET CG . 16032 1 798 . 1 1 93 93 MET N N 15 121.676 0.003 . 1 . . . . 1846 MET N . 16032 1 799 . 1 1 94 94 VAL H H 1 9.098 0.004 . 1 . . . . 1847 VAL H . 16032 1 800 . 1 1 94 94 VAL HA H 1 4.627 0.004 . 1 . . . . 1847 VAL HA . 16032 1 801 . 1 1 94 94 VAL HB H 1 2.285 0.002 . 1 . . . . 1847 VAL HB . 16032 1 802 . 1 1 94 94 VAL HG11 H 1 1.020 0.002 . 1 . . . . 1847 VAL MG1 . 16032 1 803 . 1 1 94 94 VAL HG12 H 1 1.020 0.002 . 1 . . . . 1847 VAL MG1 . 16032 1 804 . 1 1 94 94 VAL HG13 H 1 1.020 0.002 . 1 . . . . 1847 VAL MG1 . 16032 1 805 . 1 1 94 94 VAL HG21 H 1 0.783 0.002 . 1 . . . . 1847 VAL MG2 . 16032 1 806 . 1 1 94 94 VAL HG22 H 1 0.783 0.002 . 1 . . . . 1847 VAL MG2 . 16032 1 807 . 1 1 94 94 VAL HG23 H 1 0.783 0.002 . 1 . . . . 1847 VAL MG2 . 16032 1 808 . 1 1 94 94 VAL CA C 13 59.669 0.017 . 1 . . . . 1847 VAL CA . 16032 1 809 . 1 1 94 94 VAL CB C 13 33.495 0.017 . 1 . . . . 1847 VAL CB . 16032 1 810 . 1 1 94 94 VAL CG1 C 13 21.392 0.014 . 1 . . . . 1847 VAL CG1 . 16032 1 811 . 1 1 94 94 VAL CG2 C 13 19.694 0.021 . 1 . . . . 1847 VAL CG2 . 16032 1 812 . 1 1 94 94 VAL N N 15 118.281 0.100 . 1 . . . . 1847 VAL N . 16032 1 813 . 1 1 95 95 SER H H 1 8.290 0.003 . 1 . . . . 1848 SER H . 16032 1 814 . 1 1 95 95 SER HA H 1 4.144 0.002 . 1 . . . . 1848 SER HA . 16032 1 815 . 1 1 95 95 SER HB2 H 1 3.908 0.005 . 2 . . . . 1848 SER HB2 . 16032 1 816 . 1 1 95 95 SER HB3 H 1 3.845 0.004 . 2 . . . . 1848 SER HB3 . 16032 1 817 . 1 1 95 95 SER CA C 13 59.099 0.011 . 1 . . . . 1848 SER CA . 16032 1 818 . 1 1 95 95 SER CB C 13 62.695 0.025 . 1 . . . . 1848 SER CB . 16032 1 819 . 1 1 95 95 SER N N 15 114.662 0.006 . 1 . . . . 1848 SER N . 16032 1 820 . 1 1 96 96 GLY H H 1 8.814 0.002 . 1 . . . . 1849 GLY H . 16032 1 821 . 1 1 96 96 GLY HA2 H 1 4.155 0.001 . 2 . . . . 1849 GLY HA2 . 16032 1 822 . 1 1 96 96 GLY HA3 H 1 3.659 0.006 . 2 . . . . 1849 GLY HA3 . 16032 1 823 . 1 1 96 96 GLY CA C 13 45.316 0.005 . 1 . . . . 1849 GLY CA . 16032 1 824 . 1 1 96 96 GLY N N 15 111.469 0.009 . 1 . . . . 1849 GLY N . 16032 1 825 . 1 1 97 97 ASP H H 1 8.407 0.002 . 1 . . . . 1850 ASP H . 16032 1 826 . 1 1 97 97 ASP HA H 1 4.587 0.004 . 1 . . . . 1850 ASP HA . 16032 1 827 . 1 1 97 97 ASP HB2 H 1 3.111 0.007 . 2 . . . . 1850 ASP HB2 . 16032 1 828 . 1 1 97 97 ASP HB3 H 1 2.948 0.005 . 2 . . . . 1850 ASP HB3 . 16032 1 829 . 1 1 97 97 ASP CA C 13 54.665 0.018 . 1 . . . . 1850 ASP CA . 16032 1 830 . 1 1 97 97 ASP CB C 13 39.092 0.059 . 1 . . . . 1850 ASP CB . 16032 1 831 . 1 1 97 97 ASP N N 15 118.956 0.005 . 1 . . . . 1850 ASP N . 16032 1 832 . 1 1 98 98 ARG H H 1 7.407 0.007 . 1 . . . . 1851 ARG H . 16032 1 833 . 1 1 98 98 ARG HA H 1 5.132 0.005 . 1 . . . . 1851 ARG HA . 16032 1 834 . 1 1 98 98 ARG HB2 H 1 1.534 0.005 . 2 . . . . 1851 ARG QB . 16032 1 835 . 1 1 98 98 ARG HB3 H 1 1.534 0.005 . 2 . . . . 1851 ARG QB . 16032 1 836 . 1 1 98 98 ARG HD2 H 1 3.035 0.003 . 2 . . . . 1851 ARG HD2 . 16032 1 837 . 1 1 98 98 ARG HD3 H 1 2.839 0.003 . 2 . . . . 1851 ARG HD3 . 16032 1 838 . 1 1 98 98 ARG HE H 1 6.857 0.004 . 1 . . . . 1851 ARG HE . 16032 1 839 . 1 1 98 98 ARG HG2 H 1 1.606 0.006 . 2 . . . . 1851 ARG HG2 . 16032 1 840 . 1 1 98 98 ARG HG3 H 1 1.419 0.004 . 2 . . . . 1851 ARG HG3 . 16032 1 841 . 1 1 98 98 ARG CA C 13 55.022 0.030 . 1 . . . . 1851 ARG CA . 16032 1 842 . 1 1 98 98 ARG CB C 13 32.688 0.032 . 1 . . . . 1851 ARG CB . 16032 1 843 . 1 1 98 98 ARG CD C 13 43.185 0.022 . 1 . . . . 1851 ARG CD . 16032 1 844 . 1 1 98 98 ARG CG C 13 27.631 0.037 . 1 . . . . 1851 ARG CG . 16032 1 845 . 1 1 98 98 ARG N N 15 117.108 0.023 . 1 . . . . 1851 ARG N . 16032 1 846 . 1 1 98 98 ARG NE N 15 83.882 0.017 . 1 . . . . 1851 ARG NE . 16032 1 847 . 1 1 99 99 ILE H H 1 9.270 0.005 . 1 . . . . 1852 ILE H . 16032 1 848 . 1 1 99 99 ILE HA H 1 4.818 0.002 . 1 . . . . 1852 ILE HA . 16032 1 849 . 1 1 99 99 ILE HB H 1 1.751 0.006 . 1 . . . . 1852 ILE HB . 16032 1 850 . 1 1 99 99 ILE HD11 H 1 1.081 0.003 . 1 . . . . 1852 ILE MD . 16032 1 851 . 1 1 99 99 ILE HD12 H 1 1.081 0.003 . 1 . . . . 1852 ILE MD . 16032 1 852 . 1 1 99 99 ILE HD13 H 1 1.081 0.003 . 1 . . . . 1852 ILE MD . 16032 1 853 . 1 1 99 99 ILE HG12 H 1 1.701 0.003 . 2 . . . . 1852 ILE HG12 . 16032 1 854 . 1 1 99 99 ILE HG13 H 1 1.220 0.003 . 2 . . . . 1852 ILE HG13 . 16032 1 855 . 1 1 99 99 ILE HG21 H 1 1.299 0.003 . 1 . . . . 1852 ILE MG . 16032 1 856 . 1 1 99 99 ILE HG22 H 1 1.299 0.003 . 1 . . . . 1852 ILE MG . 16032 1 857 . 1 1 99 99 ILE HG23 H 1 1.299 0.003 . 1 . . . . 1852 ILE MG . 16032 1 858 . 1 1 99 99 ILE CB C 13 41.868 0.013 . 1 . . . . 1852 ILE CB . 16032 1 859 . 1 1 99 99 ILE CD1 C 13 16.344 0.021 . 1 . . . . 1852 ILE CD1 . 16032 1 860 . 1 1 99 99 ILE CG1 C 13 28.299 0.019 . 1 . . . . 1852 ILE CG1 . 16032 1 861 . 1 1 99 99 ILE CG2 C 13 20.462 0.020 . 1 . . . . 1852 ILE CG2 . 16032 1 862 . 1 1 99 99 ILE N N 15 120.060 0.008 . 1 . . . . 1852 ILE N . 16032 1 863 . 1 1 100 100 HIS H H 1 9.859 0.003 . 1 . . . . 1853 HIS H . 16032 1 864 . 1 1 100 100 HIS HA H 1 4.188 0.003 . 1 . . . . 1853 HIS HA . 16032 1 865 . 1 1 100 100 HIS HB2 H 1 2.929 0.007 . 2 . . . . 1853 HIS HB2 . 16032 1 866 . 1 1 100 100 HIS HB3 H 1 2.896 0.006 . 2 . . . . 1853 HIS HB3 . 16032 1 867 . 1 1 100 100 HIS HD2 H 1 6.231 0.002 . 1 . . . . 1853 HIS HD2 . 16032 1 868 . 1 1 100 100 HIS HE1 H 1 7.503 0.007 . 1 . . . . 1853 HIS HE1 . 16032 1 869 . 1 1 100 100 HIS CA C 13 57.993 0.059 . 1 . . . . 1853 HIS CA . 16032 1 870 . 1 1 100 100 HIS CB C 13 32.052 0.031 . 1 . . . . 1853 HIS CB . 16032 1 871 . 1 1 100 100 HIS CD2 C 13 119.053 0.030 . 1 . . . . 1853 HIS CD2 . 16032 1 872 . 1 1 100 100 HIS CE1 C 13 137.291 0.020 . 1 . . . . 1853 HIS CE1 . 16032 1 873 . 1 1 100 100 HIS N N 15 128.886 0.008 . 1 . . . . 1853 HIS N . 16032 1 874 . 1 1 101 101 CYS H H 1 8.035 0.004 . 1 . . . . 1854 CYS H . 16032 1 875 . 1 1 101 101 CYS HA H 1 2.834 0.003 . 1 . . . . 1854 CYS HA . 16032 1 876 . 1 1 101 101 CYS HB2 H 1 1.511 0.003 . 2 . . . . 1854 CYS QB . 16032 1 877 . 1 1 101 101 CYS HB3 H 1 1.511 0.003 . 2 . . . . 1854 CYS QB . 16032 1 878 . 1 1 101 101 CYS CA C 13 61.908 0.018 . 1 . . . . 1854 CYS CA . 16032 1 879 . 1 1 101 101 CYS CB C 13 27.298 0.042 . 1 . . . . 1854 CYS CB . 16032 1 880 . 1 1 101 101 CYS N N 15 126.190 0.013 . 1 . . . . 1854 CYS N . 16032 1 881 . 1 1 102 102 LEU H H 1 10.121 0.008 . 1 . . . . 1855 LEU H . 16032 1 882 . 1 1 102 102 LEU HA H 1 3.913 0.004 . 1 . . . . 1855 LEU HA . 16032 1 883 . 1 1 102 102 LEU HB2 H 1 1.766 0.005 . 2 . . . . 1855 LEU HB2 . 16032 1 884 . 1 1 102 102 LEU HB3 H 1 1.336 0.006 . 2 . . . . 1855 LEU HB3 . 16032 1 885 . 1 1 102 102 LEU HD11 H 1 0.835 0.003 . 1 . . . . 1855 LEU MD1 . 16032 1 886 . 1 1 102 102 LEU HD12 H 1 0.835 0.003 . 1 . . . . 1855 LEU MD1 . 16032 1 887 . 1 1 102 102 LEU HD13 H 1 0.835 0.003 . 1 . . . . 1855 LEU MD1 . 16032 1 888 . 1 1 102 102 LEU HD21 H 1 0.775 0.002 . 1 . . . . 1855 LEU MD2 . 16032 1 889 . 1 1 102 102 LEU HD22 H 1 0.775 0.002 . 1 . . . . 1855 LEU MD2 . 16032 1 890 . 1 1 102 102 LEU HD23 H 1 0.775 0.002 . 1 . . . . 1855 LEU MD2 . 16032 1 891 . 1 1 102 102 LEU HG H 1 1.670 0.002 . 1 . . . . 1855 LEU HG . 16032 1 892 . 1 1 102 102 LEU CA C 13 57.461 0.029 . 1 . . . . 1855 LEU CA . 16032 1 893 . 1 1 102 102 LEU CB C 13 40.719 0.065 . 1 . . . . 1855 LEU CB . 16032 1 894 . 1 1 102 102 LEU CD1 C 13 24.929 0.013 . 1 . . . . 1855 LEU CD1 . 16032 1 895 . 1 1 102 102 LEU CD2 C 13 22.562 0.023 . 1 . . . . 1855 LEU CD2 . 16032 1 896 . 1 1 102 102 LEU CG C 13 26.886 0.004 . 1 . . . . 1855 LEU CG . 16032 1 897 . 1 1 103 103 ASP H H 1 7.326 0.004 . 1 . . . . 1856 ASP H . 16032 1 898 . 1 1 103 103 ASP HA H 1 4.662 0.005 . 1 . . . . 1856 ASP HA . 16032 1 899 . 1 1 103 103 ASP HB2 H 1 2.957 0.005 . 2 . . . . 1856 ASP HB2 . 16032 1 900 . 1 1 103 103 ASP HB3 H 1 2.643 0.006 . 2 . . . . 1856 ASP HB3 . 16032 1 901 . 1 1 103 103 ASP CA C 13 57.482 0.018 . 1 . . . . 1856 ASP CA . 16032 1 902 . 1 1 103 103 ASP CB C 13 40.319 0.018 . 1 . . . . 1856 ASP CB . 16032 1 903 . 1 1 103 103 ASP N N 15 118.081 0.013 . 1 . . . . 1856 ASP N . 16032 1 904 . 1 1 104 104 ILE H H 1 7.524 0.003 . 1 . . . . 1857 ILE H . 16032 1 905 . 1 1 104 104 ILE HA H 1 3.523 0.003 . 1 . . . . 1857 ILE HA . 16032 1 906 . 1 1 104 104 ILE HB H 1 1.914 0.003 . 1 . . . . 1857 ILE HB . 16032 1 907 . 1 1 104 104 ILE HD11 H 1 0.801 0.002 . 1 . . . . 1857 ILE MD . 16032 1 908 . 1 1 104 104 ILE HD12 H 1 0.801 0.002 . 1 . . . . 1857 ILE MD . 16032 1 909 . 1 1 104 104 ILE HD13 H 1 0.801 0.002 . 1 . . . . 1857 ILE MD . 16032 1 910 . 1 1 104 104 ILE HG12 H 1 1.655 0.003 . 2 . . . . 1857 ILE HG12 . 16032 1 911 . 1 1 104 104 ILE HG13 H 1 0.963 0.007 . 2 . . . . 1857 ILE HG13 . 16032 1 912 . 1 1 104 104 ILE HG21 H 1 0.338 0.003 . 1 . . . . 1857 ILE MG . 16032 1 913 . 1 1 104 104 ILE HG22 H 1 0.338 0.003 . 1 . . . . 1857 ILE MG . 16032 1 914 . 1 1 104 104 ILE HG23 H 1 0.338 0.003 . 1 . . . . 1857 ILE MG . 16032 1 915 . 1 1 104 104 ILE CA C 13 64.183 0.011 . 1 . . . . 1857 ILE CA . 16032 1 916 . 1 1 104 104 ILE CB C 13 36.785 0.029 . 1 . . . . 1857 ILE CB . 16032 1 917 . 1 1 104 104 ILE CD1 C 13 15.031 0.024 . 1 . . . . 1857 ILE CD1 . 16032 1 918 . 1 1 104 104 ILE CG1 C 13 29.447 0.028 . 1 . . . . 1857 ILE CG1 . 16032 1 919 . 1 1 104 104 ILE CG2 C 13 16.774 0.012 . 1 . . . . 1857 ILE CG2 . 16032 1 920 . 1 1 104 104 ILE N N 15 122.092 0.020 . 1 . . . . 1857 ILE N . 16032 1 921 . 1 1 105 105 LEU H H 1 8.678 0.003 . 1 . . . . 1858 LEU H . 16032 1 922 . 1 1 105 105 LEU HA H 1 3.388 0.004 . 1 . . . . 1858 LEU HA . 16032 1 923 . 1 1 105 105 LEU HB2 H 1 1.463 0.004 . 2 . . . . 1858 LEU HB2 . 16032 1 924 . 1 1 105 105 LEU HB3 H 1 0.891 0.005 . 2 . . . . 1858 LEU HB3 . 16032 1 925 . 1 1 105 105 LEU HD11 H 1 -0.294 0.002 . 1 . . . . 1858 LEU MD1 . 16032 1 926 . 1 1 105 105 LEU HD12 H 1 -0.294 0.002 . 1 . . . . 1858 LEU MD1 . 16032 1 927 . 1 1 105 105 LEU HD13 H 1 -0.294 0.002 . 1 . . . . 1858 LEU MD1 . 16032 1 928 . 1 1 105 105 LEU HD21 H 1 0.458 0.002 . 1 . . . . 1858 LEU MD2 . 16032 1 929 . 1 1 105 105 LEU HD22 H 1 0.458 0.002 . 1 . . . . 1858 LEU MD2 . 16032 1 930 . 1 1 105 105 LEU HD23 H 1 0.458 0.002 . 1 . . . . 1858 LEU MD2 . 16032 1 931 . 1 1 105 105 LEU HG H 1 1.014 0.004 . 1 . . . . 1858 LEU HG . 16032 1 932 . 1 1 105 105 LEU CA C 13 58.056 0.032 . 1 . . . . 1858 LEU CA . 16032 1 933 . 1 1 105 105 LEU CB C 13 40.499 0.043 . 1 . . . . 1858 LEU CB . 16032 1 934 . 1 1 105 105 LEU CD1 C 13 19.717 0.018 . 1 . . . . 1858 LEU CD1 . 16032 1 935 . 1 1 105 105 LEU CD2 C 13 25.029 0.017 . 1 . . . . 1858 LEU CD2 . 16032 1 936 . 1 1 105 105 LEU CG C 13 25.858 0.043 . 1 . . . . 1858 LEU CG . 16032 1 937 . 1 1 105 105 LEU N N 15 120.472 0.018 . 1 . . . . 1858 LEU N . 16032 1 938 . 1 1 106 106 PHE H H 1 8.301 0.003 . 1 . . . . 1859 PHE H . 16032 1 939 . 1 1 106 106 PHE HA H 1 4.178 0.002 . 1 . . . . 1859 PHE HA . 16032 1 940 . 1 1 106 106 PHE HB2 H 1 3.340 0.002 . 2 . . . . 1859 PHE HB2 . 16032 1 941 . 1 1 106 106 PHE HB3 H 1 3.183 0.004 . 2 . . . . 1859 PHE HB3 . 16032 1 942 . 1 1 106 106 PHE HD1 H 1 7.289 0.003 . 3 . . . . 1859 PHE QD . 16032 1 943 . 1 1 106 106 PHE HD2 H 1 7.289 0.003 . 3 . . . . 1859 PHE QD . 16032 1 944 . 1 1 106 106 PHE CA C 13 61.192 0.023 . 1 . . . . 1859 PHE CA . 16032 1 945 . 1 1 106 106 PHE CB C 13 38.465 0.033 . 1 . . . . 1859 PHE CB . 16032 1 946 . 1 1 106 106 PHE CD1 C 13 131.445 0.015 . 3 . . . . 1859 PHE CD1 . 16032 1 947 . 1 1 106 106 PHE N N 15 119.269 0.021 . 1 . . . . 1859 PHE N . 16032 1 948 . 1 1 107 107 ALA H H 1 7.948 0.003 . 1 . . . . 1860 ALA H . 16032 1 949 . 1 1 107 107 ALA HA H 1 4.110 0.003 . 1 . . . . 1860 ALA HA . 16032 1 950 . 1 1 107 107 ALA HB1 H 1 1.856 0.003 . 1 . . . . 1860 ALA MB . 16032 1 951 . 1 1 107 107 ALA HB2 H 1 1.856 0.003 . 1 . . . . 1860 ALA MB . 16032 1 952 . 1 1 107 107 ALA HB3 H 1 1.856 0.003 . 1 . . . . 1860 ALA MB . 16032 1 953 . 1 1 107 107 ALA CA C 13 55.156 0.058 . 1 . . . . 1860 ALA CA . 16032 1 954 . 1 1 107 107 ALA CB C 13 19.702 0.014 . 1 . . . . 1860 ALA CB . 16032 1 955 . 1 1 107 107 ALA N N 15 121.361 0.008 . 1 . . . . 1860 ALA N . 16032 1 956 . 1 1 108 108 PHE H H 1 9.626 0.004 . 1 . . . . 1861 PHE H . 16032 1 957 . 1 1 108 108 PHE HA H 1 4.385 0.002 . 1 . . . . 1861 PHE HA . 16032 1 958 . 1 1 108 108 PHE HB2 H 1 3.456 0.006 . 2 . . . . 1861 PHE HB2 . 16032 1 959 . 1 1 108 108 PHE HB3 H 1 3.010 0.004 . 2 . . . . 1861 PHE HB3 . 16032 1 960 . 1 1 108 108 PHE HD1 H 1 7.325 0.002 . 3 . . . . 1861 PHE QD . 16032 1 961 . 1 1 108 108 PHE HD2 H 1 7.325 0.002 . 3 . . . . 1861 PHE QD . 16032 1 962 . 1 1 108 108 PHE HE1 H 1 7.220 0.003 . 3 . . . . 1861 PHE QE . 16032 1 963 . 1 1 108 108 PHE HE2 H 1 7.220 0.003 . 3 . . . . 1861 PHE QE . 16032 1 964 . 1 1 108 108 PHE HZ H 1 7.097 0.005 . 1 . . . . 1861 PHE HZ . 16032 1 965 . 1 1 108 108 PHE CA C 13 59.389 0.027 . 1 . . . . 1861 PHE CA . 16032 1 966 . 1 1 108 108 PHE CB C 13 36.994 0.043 . 1 . . . . 1861 PHE CB . 16032 1 967 . 1 1 108 108 PHE CD1 C 13 130.471 0.024 . 3 . . . . 1861 PHE CD1 . 16032 1 968 . 1 1 108 108 PHE CE1 C 13 130.520 0.022 . 3 . . . . 1861 PHE CE1 . 16032 1 969 . 1 1 108 108 PHE CZ C 13 128.596 0.045 . 1 . . . . 1861 PHE CZ . 16032 1 970 . 1 1 108 108 PHE N N 15 119.388 0.100 . 1 . . . . 1861 PHE N . 16032 1 971 . 1 1 109 109 THR H H 1 8.263 0.005 . 1 . . . . 1862 THR H . 16032 1 972 . 1 1 109 109 THR HA H 1 3.813 0.004 . 1 . . . . 1862 THR HA . 16032 1 973 . 1 1 109 109 THR HB H 1 4.146 0.004 . 1 . . . . 1862 THR HB . 16032 1 974 . 1 1 109 109 THR HG21 H 1 1.132 0.003 . 1 . . . . 1862 THR MG . 16032 1 975 . 1 1 109 109 THR HG22 H 1 1.132 0.003 . 1 . . . . 1862 THR MG . 16032 1 976 . 1 1 109 109 THR HG23 H 1 1.132 0.003 . 1 . . . . 1862 THR MG . 16032 1 977 . 1 1 109 109 THR CA C 13 66.546 0.039 . 1 . . . . 1862 THR CA . 16032 1 978 . 1 1 109 109 THR CB C 13 67.934 0.031 . 1 . . . . 1862 THR CB . 16032 1 979 . 1 1 109 109 THR CG2 C 13 21.455 0.027 . 1 . . . . 1862 THR CG2 . 16032 1 980 . 1 1 109 109 THR N N 15 115.943 0.008 . 1 . . . . 1862 THR N . 16032 1 981 . 1 1 110 110 LYS H H 1 8.171 0.002 . 1 . . . . 1863 LYS H . 16032 1 982 . 1 1 110 110 LYS HA H 1 3.828 0.002 . 1 . . . . 1863 LYS HA . 16032 1 983 . 1 1 110 110 LYS HB2 H 1 1.750 0.003 . 2 . . . . 1863 LYS HB2 . 16032 1 984 . 1 1 110 110 LYS HB3 H 1 1.653 0.002 . 2 . . . . 1863 LYS HB3 . 16032 1 985 . 1 1 110 110 LYS HD2 H 1 1.564 0.002 . 2 . . . . 1863 LYS QD . 16032 1 986 . 1 1 110 110 LYS HD3 H 1 1.564 0.002 . 2 . . . . 1863 LYS QD . 16032 1 987 . 1 1 110 110 LYS HE2 H 1 2.882 0.001 . 2 . . . . 1863 LYS HE2 . 16032 1 988 . 1 1 110 110 LYS HE3 H 1 2.825 0.001 . 2 . . . . 1863 LYS HE3 . 16032 1 989 . 1 1 110 110 LYS HG2 H 1 1.276 0.005 . 2 . . . . 1863 LYS QG . 16032 1 990 . 1 1 110 110 LYS HG3 H 1 1.276 0.005 . 2 . . . . 1863 LYS QG . 16032 1 991 . 1 1 110 110 LYS CA C 13 59.176 0.021 . 1 . . . . 1863 LYS CA . 16032 1 992 . 1 1 110 110 LYS CB C 13 31.594 0.016 . 1 . . . . 1863 LYS CB . 16032 1 993 . 1 1 110 110 LYS CD C 13 29.097 0.024 . 1 . . . . 1863 LYS CD . 16032 1 994 . 1 1 110 110 LYS CE C 13 41.731 0.004 . 1 . . . . 1863 LYS CE . 16032 1 995 . 1 1 110 110 LYS CG C 13 24.526 0.022 . 1 . . . . 1863 LYS CG . 16032 1 996 . 1 1 110 110 LYS N N 15 122.966 0.007 . 1 . . . . 1863 LYS N . 16032 1 997 . 1 1 111 111 ARG H H 1 7.439 0.003 . 1 . . . . 1864 ARG H . 16032 1 998 . 1 1 111 111 ARG HA H 1 4.008 0.004 . 1 . . . . 1864 ARG HA . 16032 1 999 . 1 1 111 111 ARG HB2 H 1 1.851 0.010 . 2 . . . . 1864 ARG HB2 . 16032 1 1000 . 1 1 111 111 ARG HB3 H 1 1.777 0.002 . 2 . . . . 1864 ARG HB3 . 16032 1 1001 . 1 1 111 111 ARG HD2 H 1 3.040 0.007 . 2 . . . . 1864 ARG HD2 . 16032 1 1002 . 1 1 111 111 ARG HD3 H 1 3.005 0.008 . 2 . . . . 1864 ARG HD3 . 16032 1 1003 . 1 1 111 111 ARG HE H 1 7.599 0.001 . 1 . . . . 1864 ARG HE . 16032 1 1004 . 1 1 111 111 ARG HG2 H 1 1.622 0.004 . 2 . . . . 1864 ARG HG2 . 16032 1 1005 . 1 1 111 111 ARG HG3 H 1 1.424 0.003 . 2 . . . . 1864 ARG HG3 . 16032 1 1006 . 1 1 111 111 ARG CA C 13 58.491 0.026 . 1 . . . . 1864 ARG CA . 16032 1 1007 . 1 1 111 111 ARG CB C 13 29.420 0.007 . 1 . . . . 1864 ARG CB . 16032 1 1008 . 1 1 111 111 ARG CD C 13 42.526 0.019 . 1 . . . . 1864 ARG CD . 16032 1 1009 . 1 1 111 111 ARG CG C 13 27.050 0.011 . 1 . . . . 1864 ARG CG . 16032 1 1010 . 1 1 111 111 ARG N N 15 117.711 0.015 . 1 . . . . 1864 ARG N . 16032 1 1011 . 1 1 111 111 ARG NE N 15 83.931 0.021 . 1 . . . . 1864 ARG NE . 16032 1 1012 . 1 1 112 112 VAL H H 1 7.156 0.003 . 1 . . . . 1865 VAL H . 16032 1 1013 . 1 1 112 112 VAL HA H 1 3.806 0.002 . 1 . . . . 1865 VAL HA . 16032 1 1014 . 1 1 112 112 VAL HB H 1 2.196 0.004 . 1 . . . . 1865 VAL HB . 16032 1 1015 . 1 1 112 112 VAL HG11 H 1 0.900 0.003 . 1 . . . . 1865 VAL MG1 . 16032 1 1016 . 1 1 112 112 VAL HG12 H 1 0.900 0.003 . 1 . . . . 1865 VAL MG1 . 16032 1 1017 . 1 1 112 112 VAL HG13 H 1 0.900 0.003 . 1 . . . . 1865 VAL MG1 . 16032 1 1018 . 1 1 112 112 VAL HG21 H 1 1.013 0.003 . 1 . . . . 1865 VAL MG2 . 16032 1 1019 . 1 1 112 112 VAL HG22 H 1 1.013 0.003 . 1 . . . . 1865 VAL MG2 . 16032 1 1020 . 1 1 112 112 VAL HG23 H 1 1.013 0.003 . 1 . . . . 1865 VAL MG2 . 16032 1 1021 . 1 1 112 112 VAL CA C 13 64.538 0.009 . 1 . . . . 1865 VAL CA . 16032 1 1022 . 1 1 112 112 VAL CB C 13 31.998 0.005 . 1 . . . . 1865 VAL CB . 16032 1 1023 . 1 1 112 112 VAL CG1 C 13 21.153 0.019 . 1 . . . . 1865 VAL CG1 . 16032 1 1024 . 1 1 112 112 VAL CG2 C 13 22.226 0.024 . 1 . . . . 1865 VAL CG2 . 16032 1 1025 . 1 1 112 112 VAL N N 15 116.969 0.019 . 1 . . . . 1865 VAL N . 16032 1 1026 . 1 1 113 113 LEU H H 1 8.079 0.005 . 1 . . . . 1866 LEU H . 16032 1 1027 . 1 1 113 113 LEU HA H 1 4.175 0.002 . 1 . . . . 1866 LEU HA . 16032 1 1028 . 1 1 113 113 LEU HB2 H 1 1.738 0.006 . 2 . . . . 1866 LEU HB2 . 16032 1 1029 . 1 1 113 113 LEU HB3 H 1 1.546 0.003 . 2 . . . . 1866 LEU HB3 . 16032 1 1030 . 1 1 113 113 LEU HD11 H 1 0.846 0.002 . 1 . . . . 1866 LEU MD1 . 16032 1 1031 . 1 1 113 113 LEU HD12 H 1 0.846 0.002 . 1 . . . . 1866 LEU MD1 . 16032 1 1032 . 1 1 113 113 LEU HD13 H 1 0.846 0.002 . 1 . . . . 1866 LEU MD1 . 16032 1 1033 . 1 1 113 113 LEU HD21 H 1 0.850 0.001 . 1 . . . . 1866 LEU MD2 . 16032 1 1034 . 1 1 113 113 LEU HD22 H 1 0.850 0.001 . 1 . . . . 1866 LEU MD2 . 16032 1 1035 . 1 1 113 113 LEU HD23 H 1 0.850 0.001 . 1 . . . . 1866 LEU MD2 . 16032 1 1036 . 1 1 113 113 LEU HG H 1 1.724 0.001 . 1 . . . . 1866 LEU HG . 16032 1 1037 . 1 1 113 113 LEU CA C 13 56.036 0.013 . 1 . . . . 1866 LEU CA . 16032 1 1038 . 1 1 113 113 LEU CB C 13 42.112 0.100 . 1 . . . . 1866 LEU CB . 16032 1 1039 . 1 1 113 113 LEU CD1 C 13 25.195 0.029 . 1 . . . . 1866 LEU CD1 . 16032 1 1040 . 1 1 113 113 LEU CD2 C 13 22.523 0.020 . 1 . . . . 1866 LEU CD2 . 16032 1 1041 . 1 1 113 113 LEU CG C 13 26.602 0.014 . 1 . . . . 1866 LEU CG . 16032 1 1042 . 1 1 113 113 LEU N N 15 118.923 0.014 . 1 . . . . 1866 LEU N . 16032 1 1043 . 1 1 114 114 GLY H H 1 8.107 0.006 . 1 . . . . 1867 GLY H . 16032 1 1044 . 1 1 114 114 GLY HA2 H 1 4.024 0.005 . 2 . . . . 1867 GLY HA2 . 16032 1 1045 . 1 1 114 114 GLY HA3 H 1 3.926 0.001 . 2 . . . . 1867 GLY HA3 . 16032 1 1046 . 1 1 114 114 GLY CA C 13 45.235 0.037 . 1 . . . . 1867 GLY CA . 16032 1 1047 . 1 1 114 114 GLY N N 15 107.015 0.100 . 1 . . . . 1867 GLY N . 16032 1 1048 . 1 1 115 115 GLU H H 1 8.230 0.003 . 1 . . . . 1868 GLU H . 16032 1 1049 . 1 1 115 115 GLU HA H 1 4.314 0.003 . 1 . . . . 1868 GLU HA . 16032 1 1050 . 1 1 115 115 GLU HB2 H 1 2.116 0.003 . 2 . . . . 1868 GLU HB2 . 16032 1 1051 . 1 1 115 115 GLU HB3 H 1 1.953 0.002 . 2 . . . . 1868 GLU HB3 . 16032 1 1052 . 1 1 115 115 GLU HG2 H 1 2.271 0.009 . 2 . . . . 1868 GLU QG . 16032 1 1053 . 1 1 115 115 GLU HG3 H 1 2.271 0.009 . 2 . . . . 1868 GLU QG . 16032 1 1054 . 1 1 115 115 GLU CA C 13 56.509 0.100 . 1 . . . . 1868 GLU CA . 16032 1 1055 . 1 1 115 115 GLU CB C 13 29.815 0.100 . 1 . . . . 1868 GLU CB . 16032 1 1056 . 1 1 115 115 GLU N N 15 120.158 0.003 . 1 . . . . 1868 GLU N . 16032 1 1057 . 1 1 116 116 SER H H 1 8.365 0.003 . 1 . . . . 1869 SER H . 16032 1 1058 . 1 1 116 116 SER HA H 1 4.489 0.001 . 1 . . . . 1869 SER HA . 16032 1 1059 . 1 1 116 116 SER HB2 H 1 3.977 0.004 . 2 . . . . 1869 SER HB2 . 16032 1 1060 . 1 1 116 116 SER HB3 H 1 3.911 0.003 . 2 . . . . 1869 SER HB3 . 16032 1 1061 . 1 1 116 116 SER CA C 13 58.479 0.008 . 1 . . . . 1869 SER CA . 16032 1 1062 . 1 1 116 116 SER CB C 13 63.691 0.032 . 1 . . . . 1869 SER CB . 16032 1 1063 . 1 1 116 116 SER N N 15 116.025 0.006 . 1 . . . . 1869 SER N . 16032 1 1064 . 1 1 117 117 GLY H H 1 8.446 0.003 . 1 . . . . 1870 GLY H . 16032 1 1065 . 1 1 117 117 GLY HA2 H 1 4.035 0.005 . 2 . . . . 1870 GLY HA2 . 16032 1 1066 . 1 1 117 117 GLY HA3 H 1 3.930 0.001 . 2 . . . . 1870 GLY HA3 . 16032 1 1067 . 1 1 117 117 GLY CA C 13 45.414 0.013 . 1 . . . . 1870 GLY CA . 16032 1 1068 . 1 1 117 117 GLY N N 15 110.527 0.011 . 1 . . . . 1870 GLY N . 16032 1 1069 . 1 1 118 118 GLU H H 1 8.396 0.003 . 1 . . . . 1871 GLU H . 16032 1 1070 . 1 1 118 118 GLU HA H 1 4.270 0.002 . 1 . . . . 1871 GLU HA . 16032 1 1071 . 1 1 118 118 GLU HB2 H 1 2.063 0.004 . 2 . . . . 1871 GLU HB2 . 16032 1 1072 . 1 1 118 118 GLU HB3 H 1 1.961 0.002 . 2 . . . . 1871 GLU HB3 . 16032 1 1073 . 1 1 118 118 GLU HG2 H 1 2.273 0.005 . 2 . . . . 1871 GLU QG . 16032 1 1074 . 1 1 118 118 GLU HG3 H 1 2.273 0.005 . 2 . . . . 1871 GLU QG . 16032 1 1075 . 1 1 118 118 GLU CA C 13 56.980 0.032 . 1 . . . . 1871 GLU CA . 16032 1 1076 . 1 1 118 118 GLU CB C 13 29.809 0.004 . 1 . . . . 1871 GLU CB . 16032 1 1077 . 1 1 118 118 GLU N N 15 120.846 0.001 . 1 . . . . 1871 GLU N . 16032 1 1078 . 1 1 119 119 MET H H 1 8.379 0.003 . 1 . . . . 1872 MET H . 16032 1 1079 . 1 1 119 119 MET HA H 1 4.438 0.002 . 1 . . . . 1872 MET HA . 16032 1 1080 . 1 1 119 119 MET HB2 H 1 2.112 0.002 . 2 . . . . 1872 MET HB2 . 16032 1 1081 . 1 1 119 119 MET HB3 H 1 2.057 0.010 . 2 . . . . 1872 MET HB3 . 16032 1 1082 . 1 1 119 119 MET HG2 H 1 2.603 0.001 . 2 . . . . 1872 MET HG2 . 16032 1 1083 . 1 1 119 119 MET HG3 H 1 2.538 0.001 . 2 . . . . 1872 MET HG3 . 16032 1 1084 . 1 1 119 119 MET CA C 13 55.844 0.028 . 1 . . . . 1872 MET CA . 16032 1 1085 . 1 1 119 119 MET CB C 13 32.063 0.011 . 1 . . . . 1872 MET CB . 16032 1 1086 . 1 1 119 119 MET CG C 13 31.947 0.013 . 1 . . . . 1872 MET CG . 16032 1 1087 . 1 1 119 119 MET N N 15 120.335 0.005 . 1 . . . . 1872 MET N . 16032 1 1088 . 1 1 120 120 ASP H H 1 8.337 0.004 . 1 . . . . 1873 ASP H . 16032 1 1089 . 1 1 120 120 ASP HA H 1 4.474 0.005 . 1 . . . . 1873 ASP HA . 16032 1 1090 . 1 1 120 120 ASP HB2 H 1 2.682 0.003 . 2 . . . . 1873 ASP QB . 16032 1 1091 . 1 1 120 120 ASP HB3 H 1 2.682 0.003 . 2 . . . . 1873 ASP QB . 16032 1 1092 . 1 1 120 120 ASP CA C 13 55.528 0.020 . 1 . . . . 1873 ASP CA . 16032 1 1093 . 1 1 120 120 ASP CB C 13 40.527 0.065 . 1 . . . . 1873 ASP CB . 16032 1 1094 . 1 1 120 120 ASP N N 15 121.151 0.015 . 1 . . . . 1873 ASP N . 16032 1 1095 . 1 1 121 121 ALA H H 1 8.152 0.002 . 1 . . . . 1874 ALA H . 16032 1 1096 . 1 1 121 121 ALA HA H 1 4.168 0.003 . 1 . . . . 1874 ALA HA . 16032 1 1097 . 1 1 121 121 ALA HB1 H 1 1.416 0.004 . 1 . . . . 1874 ALA MB . 16032 1 1098 . 1 1 121 121 ALA HB2 H 1 1.416 0.004 . 1 . . . . 1874 ALA MB . 16032 1 1099 . 1 1 121 121 ALA HB3 H 1 1.416 0.004 . 1 . . . . 1874 ALA MB . 16032 1 1100 . 1 1 121 121 ALA CA C 13 53.524 0.014 . 1 . . . . 1874 ALA CA . 16032 1 1101 . 1 1 121 121 ALA CB C 13 18.465 0.009 . 1 . . . . 1874 ALA CB . 16032 1 1102 . 1 1 121 121 ALA N N 15 122.507 0.008 . 1 . . . . 1874 ALA N . 16032 1 1103 . 1 1 122 122 LEU H H 1 7.968 0.003 . 1 . . . . 1875 LEU H . 16032 1 1104 . 1 1 122 122 LEU HA H 1 4.226 0.003 . 1 . . . . 1875 LEU HA . 16032 1 1105 . 1 1 122 122 LEU HB2 H 1 1.724 0.010 . 2 . . . . 1875 LEU HB2 . 16032 1 1106 . 1 1 122 122 LEU HB3 H 1 1.656 0.010 . 2 . . . . 1875 LEU HB3 . 16032 1 1107 . 1 1 122 122 LEU HD11 H 1 0.916 0.002 . 1 . . . . 1875 LEU MD1 . 16032 1 1108 . 1 1 122 122 LEU HD12 H 1 0.916 0.002 . 1 . . . . 1875 LEU MD1 . 16032 1 1109 . 1 1 122 122 LEU HD13 H 1 0.916 0.002 . 1 . . . . 1875 LEU MD1 . 16032 1 1110 . 1 1 122 122 LEU HD21 H 1 0.856 0.002 . 1 . . . . 1875 LEU MD2 . 16032 1 1111 . 1 1 122 122 LEU HD22 H 1 0.856 0.002 . 1 . . . . 1875 LEU MD2 . 16032 1 1112 . 1 1 122 122 LEU HD23 H 1 0.856 0.002 . 1 . . . . 1875 LEU MD2 . 16032 1 1113 . 1 1 122 122 LEU HG H 1 1.661 0.010 . 1 . . . . 1875 LEU HG . 16032 1 1114 . 1 1 122 122 LEU CA C 13 55.842 0.032 . 1 . . . . 1875 LEU CA . 16032 1 1115 . 1 1 122 122 LEU CB C 13 41.703 0.020 . 1 . . . . 1875 LEU CB . 16032 1 1116 . 1 1 122 122 LEU CD1 C 13 24.554 0.030 . 1 . . . . 1875 LEU CD1 . 16032 1 1117 . 1 1 122 122 LEU CD2 C 13 23.548 0.019 . 1 . . . . 1875 LEU CD2 . 16032 1 1118 . 1 1 122 122 LEU CG C 13 26.839 0.100 . 1 . . . . 1875 LEU CG . 16032 1 1119 . 1 1 122 122 LEU N N 15 119.132 0.002 . 1 . . . . 1875 LEU N . 16032 1 1120 . 1 1 123 123 ARG H H 1 8.014 0.005 . 1 . . . . 1876 ARG H . 16032 1 1121 . 1 1 123 123 ARG HA H 1 4.128 0.002 . 1 . . . . 1876 ARG HA . 16032 1 1122 . 1 1 123 123 ARG HB2 H 1 1.866 0.002 . 2 . . . . 1876 ARG HB2 . 16032 1 1123 . 1 1 123 123 ARG HB3 H 1 1.763 0.001 . 2 . . . . 1876 ARG HB3 . 16032 1 1124 . 1 1 123 123 ARG HD2 H 1 3.141 0.002 . 2 . . . . 1876 ARG QD . 16032 1 1125 . 1 1 123 123 ARG HD3 H 1 3.141 0.002 . 2 . . . . 1876 ARG QD . 16032 1 1126 . 1 1 123 123 ARG HG3 H 1 1.522 0.010 . 2 . . . . 1876 ARG HG3 . 16032 1 1127 . 1 1 123 123 ARG CA C 13 57.160 0.029 . 1 . . . . 1876 ARG CA . 16032 1 1128 . 1 1 123 123 ARG CB C 13 29.885 0.030 . 1 . . . . 1876 ARG CB . 16032 1 1129 . 1 1 123 123 ARG CD C 13 42.957 0.022 . 1 . . . . 1876 ARG CD . 16032 1 1130 . 1 1 123 123 ARG CG C 13 27.007 0.100 . 1 . . . . 1876 ARG CG . 16032 1 1131 . 1 1 123 123 ARG N N 15 120.385 0.014 . 1 . . . . 1876 ARG N . 16032 1 1132 . 1 1 124 124 ILE H H 1 7.933 0.003 . 1 . . . . 1877 ILE H . 16032 1 1133 . 1 1 124 124 ILE HA H 1 3.973 0.003 . 1 . . . . 1877 ILE HA . 16032 1 1134 . 1 1 124 124 ILE HB H 1 1.839 0.002 . 1 . . . . 1877 ILE HB . 16032 1 1135 . 1 1 124 124 ILE HD11 H 1 0.833 0.015 . 1 . . . . 1877 ILE MD . 16032 1 1136 . 1 1 124 124 ILE HD12 H 1 0.833 0.015 . 1 . . . . 1877 ILE MD . 16032 1 1137 . 1 1 124 124 ILE HD13 H 1 0.833 0.015 . 1 . . . . 1877 ILE MD . 16032 1 1138 . 1 1 124 124 ILE HG12 H 1 1.511 0.002 . 2 . . . . 1877 ILE HG12 . 16032 1 1139 . 1 1 124 124 ILE HG13 H 1 1.156 0.002 . 2 . . . . 1877 ILE HG13 . 16032 1 1140 . 1 1 124 124 ILE HG21 H 1 0.873 0.001 . 1 . . . . 1877 ILE MG . 16032 1 1141 . 1 1 124 124 ILE HG22 H 1 0.873 0.001 . 1 . . . . 1877 ILE MG . 16032 1 1142 . 1 1 124 124 ILE HG23 H 1 0.873 0.001 . 1 . . . . 1877 ILE MG . 16032 1 1143 . 1 1 124 124 ILE CA C 13 62.041 0.009 . 1 . . . . 1877 ILE CA . 16032 1 1144 . 1 1 124 124 ILE CB C 13 38.201 0.007 . 1 . . . . 1877 ILE CB . 16032 1 1145 . 1 1 124 124 ILE CD1 C 13 12.680 0.017 . 1 . . . . 1877 ILE CD1 . 16032 1 1146 . 1 1 124 124 ILE CG1 C 13 27.666 0.017 . 1 . . . . 1877 ILE CG1 . 16032 1 1147 . 1 1 124 124 ILE CG2 C 13 17.148 0.005 . 1 . . . . 1877 ILE CG2 . 16032 1 1148 . 1 1 124 124 ILE N N 15 120.150 0.007 . 1 . . . . 1877 ILE N . 16032 1 1149 . 1 1 125 125 GLN H H 1 8.169 0.003 . 1 . . . . 1878 GLN H . 16032 1 1150 . 1 1 125 125 GLN HA H 1 4.237 0.002 . 1 . . . . 1878 GLN HA . 16032 1 1151 . 1 1 125 125 GLN HB2 H 1 2.106 0.010 . 2 . . . . 1878 GLN HB2 . 16032 1 1152 . 1 1 125 125 GLN HB3 H 1 2.039 0.001 . 2 . . . . 1878 GLN HB3 . 16032 1 1153 . 1 1 125 125 GLN HE21 H 1 7.525 0.010 . 2 . . . . 1878 GLN HE21 . 16032 1 1154 . 1 1 125 125 GLN HE22 H 1 6.841 0.010 . 2 . . . . 1878 GLN HE22 . 16032 1 1155 . 1 1 125 125 GLN HG2 H 1 2.356 0.008 . 2 . . . . 1878 GLN QG . 16032 1 1156 . 1 1 125 125 GLN HG3 H 1 2.356 0.008 . 2 . . . . 1878 GLN QG . 16032 1 1157 . 1 1 125 125 GLN CA C 13 56.346 0.100 . 1 . . . . 1878 GLN CA . 16032 1 1158 . 1 1 125 125 GLN CB C 13 28.925 0.009 . 1 . . . . 1878 GLN CB . 16032 1 1159 . 1 1 125 125 GLN CG C 13 33.574 0.007 . 1 . . . . 1878 GLN CG . 16032 1 1160 . 1 1 125 125 GLN N N 15 122.206 0.003 . 1 . . . . 1878 GLN N . 16032 1 1161 . 1 1 126 126 MET H H 1 8.295 0.003 . 1 . . . . 1879 MET H . 16032 1 1162 . 1 1 126 126 MET HA H 1 4.367 0.003 . 1 . . . . 1879 MET HA . 16032 1 1163 . 1 1 126 126 MET HB2 H 1 2.090 0.003 . 2 . . . . 1879 MET HB2 . 16032 1 1164 . 1 1 126 126 MET HB3 H 1 2.029 0.010 . 2 . . . . 1879 MET HB3 . 16032 1 1165 . 1 1 126 126 MET HG2 H 1 2.612 0.001 . 2 . . . . 1879 MET HG2 . 16032 1 1166 . 1 1 126 126 MET HG3 H 1 2.503 0.003 . 2 . . . . 1879 MET HG3 . 16032 1 1167 . 1 1 126 126 MET CA C 13 55.741 0.036 . 1 . . . . 1879 MET CA . 16032 1 1168 . 1 1 126 126 MET CB C 13 32.695 0.021 . 1 . . . . 1879 MET CB . 16032 1 1169 . 1 1 126 126 MET CG C 13 31.910 0.005 . 1 . . . . 1879 MET CG . 16032 1 1170 . 1 1 126 126 MET N N 15 120.146 0.012 . 1 . . . . 1879 MET N . 16032 1 1171 . 1 1 127 127 GLU H H 1 8.233 0.004 . 1 . . . . 1880 GLU H . 16032 1 1172 . 1 1 127 127 GLU HG2 H 1 2.330 0.010 . 2 . . . . 1880 GLU HG2 . 16032 1 1173 . 1 1 127 127 GLU HG3 H 1 2.239 0.010 . 2 . . . . 1880 GLU HG3 . 16032 1 1174 . 1 1 127 127 GLU N N 15 120.798 0.002 . 1 . . . . 1880 GLU N . 16032 1 1175 . 1 1 128 128 GLU H H 1 8.273 0.003 . 1 . . . . 1881 GLU H . 16032 1 1176 . 1 1 128 128 GLU HA H 1 4.279 0.002 . 1 . . . . 1881 GLU HA . 16032 1 1177 . 1 1 128 128 GLU HB2 H 1 2.062 0.004 . 2 . . . . 1881 GLU HB2 . 16032 1 1178 . 1 1 128 128 GLU HB3 H 1 1.928 0.012 . 2 . . . . 1881 GLU HB3 . 16032 1 1179 . 1 1 128 128 GLU HG2 H 1 2.317 0.010 . 2 . . . . 1881 GLU HG2 . 16032 1 1180 . 1 1 128 128 GLU HG3 H 1 2.229 0.010 . 2 . . . . 1881 GLU HG3 . 16032 1 1181 . 1 1 128 128 GLU CA C 13 56.312 0.100 . 1 . . . . 1881 GLU CA . 16032 1 1182 . 1 1 128 128 GLU CB C 13 29.900 0.100 . 1 . . . . 1881 GLU CB . 16032 1 1183 . 1 1 128 128 GLU N N 15 121.872 0.012 . 1 . . . . 1881 GLU N . 16032 1 1184 . 1 1 129 129 ARG H H 1 7.924 0.003 . 1 . . . . 1882 ARG H . 16032 1 1185 . 1 1 129 129 ARG HA H 1 4.154 0.003 . 1 . . . . 1882 ARG HA . 16032 1 1186 . 1 1 129 129 ARG HB2 H 1 1.831 0.002 . 2 . . . . 1882 ARG HB2 . 16032 1 1187 . 1 1 129 129 ARG HB3 H 1 1.696 0.002 . 2 . . . . 1882 ARG HB3 . 16032 1 1188 . 1 1 129 129 ARG HD2 H 1 3.092 0.002 . 2 . . . . 1882 ARG QD . 16032 1 1189 . 1 1 129 129 ARG HD3 H 1 3.092 0.002 . 2 . . . . 1882 ARG QD . 16032 1 1190 . 1 1 129 129 ARG HG2 H 1 1.563 0.003 . 2 . . . . 1882 ARG QG . 16032 1 1191 . 1 1 129 129 ARG HG3 H 1 1.563 0.003 . 2 . . . . 1882 ARG QG . 16032 1 1192 . 1 1 129 129 ARG CA C 13 57.149 0.013 . 1 . . . . 1882 ARG CA . 16032 1 1193 . 1 1 129 129 ARG CB C 13 31.266 0.018 . 1 . . . . 1882 ARG CB . 16032 1 1194 . 1 1 129 129 ARG CD C 13 43.109 0.100 . 1 . . . . 1882 ARG CD . 16032 1 1195 . 1 1 129 129 ARG CG C 13 26.852 0.100 . 1 . . . . 1882 ARG CG . 16032 1 1196 . 1 1 129 129 ARG N N 15 127.339 0.007 . 1 . . . . 1882 ARG N . 16032 1 stop_ save_