NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25653 | 2kav | 16032 | cing | 1-original | 3 | XPLOR/CNS | dipolar coupling |
! 1792 (39 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1792 and name HA ) ( resid 1792 and name CA ) 2.0300 1.6750 ! 1793 (40 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1793 and name HA ) ( resid 1793 and name CA ) 14.2550 1.6750 ! 1797 (44 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1797 and name HA ) ( resid 1797 and name CA ) 16.4370 1.6750 ! 1798 (45 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1798 and name HA ) ( resid 1798 and name CA ) -22.3680 1.6750 ! 1799 (46 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1799 and name HA ) ( resid 1799 and name CA ) -0.8190 1.6750 ! 1801 (48 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1801 and name HA ) ( resid 1801 and name CA ) 2.6950 1.6750 ! 1804 (51 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1804 and name HA ) ( resid 1804 and name CA ) 17.8300 1.6750 ! 1807 (54 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1807 and name HA ) ( resid 1807 and name CA ) -1.0960 1.6750 ! 1811 (58 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1811 and name HA ) ( resid 1811 and name CA ) 2.8910 1.6750 ! 1812 (59 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1812 and name HA ) ( resid 1812 and name CA ) 19.8930 1.6750 ! 1814 (61 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1814 and name HA ) ( resid 1814 and name CA ) -1.8480 1.6750 ! 1815 (62 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1815 and name HA ) ( resid 1815 and name CA ) -1.8000 1.6750 ! 1816 (63 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1816 and name HA ) ( resid 1816 and name CA ) 5.0400 1.6750 ! 1818 (65 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1818 and name HA ) ( resid 1818 and name CA ) -12.0720 1.6750 ! 1819 (66 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1819 and name HA ) ( resid 1819 and name CA ) 13.7040 1.6750 ! 1821 (68 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1821 and name HA ) ( resid 1821 and name CA ) 10.3680 1.6750 ! 1822 (69 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1822 and name HA ) ( resid 1822 and name CA ) -21.4780 1.6750 ! 1823 (70 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1823 and name HA ) ( resid 1823 and name CA ) 15.3370 1.6750 ! 1825 (72 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1825 and name HA ) ( resid 1825 and name CA ) 2.1010 1.6750 ! 1827 (74 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1827 and name HA ) ( resid 1827 and name CA ) 3.0440 1.6750 ! 1829 (76 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1829 and name HA ) ( resid 1829 and name CA ) 11.3730 1.6750 ! 1830 (77 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1830 and name HA ) ( resid 1830 and name CA ) 17.0410 1.6750 ! 1832 (79 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1832 and name HA ) ( resid 1832 and name CA ) 18.1990 1.6750 ! 1833 (80 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1833 and name HA ) ( resid 1833 and name CA ) 2.5850 1.6750 ! 1834 (81 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1834 and name HA ) ( resid 1834 and name CA ) 18.8310 1.6750 ! 1836 (83 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1836 and name HA ) ( resid 1836 and name CA ) -5.7730 1.6750 ! 1837 (84 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1837 and name HA ) ( resid 1837 and name CA ) 3.7290 1.6750 ! 1840 (87 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1840 and name HA ) ( resid 1840 and name CA ) 7.2710 1.6750 ! 1841 (88 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1841 and name HA ) ( resid 1841 and name CA ) 3.7000 1.6750 ! 1842 (89 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1842 and name HA ) ( resid 1842 and name CA ) 8.7210 1.6750 ! 1845 (92 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1845 and name HA ) ( resid 1845 and name CA ) -0.7710 1.6750 ! 1846 (93 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1846 and name HA ) ( resid 1846 and name CA ) 4.1550 1.6750 ! 1848 (95 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1848 and name HA ) ( resid 1848 and name CA ) -0.4930 1.6750 ! 1853 (100 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1853 and name HA ) ( resid 1853 and name CA ) 18.2280 1.6750 ! 1854 (101 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1854 and name HA ) ( resid 1854 and name CA ) -15.2700 1.6750 ! 1857 (104 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1857 and name HA ) ( resid 1857 and name CA ) -2.1540 1.6750 ! 1858 (105 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1858 and name HA ) ( resid 1858 and name CA ) -4.8820 1.6750 ! 1860 (107 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1860 and name HA ) ( resid 1860 and name CA ) 14.2400 1.6750 ! 1861 (108 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1861 and name HA ) ( resid 1861 and name CA ) -11.3490 1.6750 ! 1862 (109 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1862 and name HA ) ( resid 1862 and name CA ) 1.2300 1.6750 ! 1863 (110 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1863 and name HA ) ( resid 1863 and name CA ) -7.8410 1.6750 ! 1864 (111 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1864 and name HA ) ( resid 1864 and name CA ) 9.7070 1.6750 ! 1865 (112 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1865 and name HA ) ( resid 1865 and name CA ) -12.8430 1.6750 ! 1866 (113 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1866 and name HA ) ( resid 1866 and name CA ) 2.1830 1.6750 ! 1790 (37 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1789 and name C ) ( resid 1790 and name N ) -0.2380 0.9650 ! 1791 (38 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1790 and name C ) ( resid 1791 and name N ) 12.1200 1.0930 ! 1793 (40 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1792 and name C ) ( resid 1793 and name N ) 0.2610 1.2840 ! 1794 (41 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1793 and name C ) ( resid 1794 and name N ) 12.4310 0.7810 ! 1795 (42 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1794 and name C ) ( resid 1795 and name N ) -20.7320 1.3730 ! 1796 (43 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1795 and name C ) ( resid 1796 and name N ) 1.7870 0.9280 ! 1797 (44 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1796 and name C ) ( resid 1797 and name N ) 3.4440 1.1420 ! 1798 (45 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1797 and name C ) ( resid 1798 and name N ) 5.7530 1.1180 ! 1799 (46 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1798 and name C ) ( resid 1799 and name N ) -14.0950 1.3630 ! 1800 (47 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1799 and name C ) ( resid 1800 and name N ) 2.3040 1.1380 ! 1801 (48 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1800 and name C ) ( resid 1801 and name N ) 12.1160 1.2440 ! 1802 (49 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1801 and name C ) ( resid 1802 and name N ) -12.3550 0.9870 ! 1803 (50 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1802 and name C ) ( resid 1803 and name N ) -0.8120 0.8610 ! 1804 (51 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1803 and name C ) ( resid 1804 and name N ) -4.4030 0.9790 ! 1805 (52 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1804 and name C ) ( resid 1805 and name N ) 11.6670 0.9770 ! 1806 (53 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1805 and name C ) ( resid 1806 and name N ) -18.1250 0.7690 ! 1808 (55 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1807 and name C ) ( resid 1808 and name N ) 2.4460 0.6660 ! 1809 (56 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1808 and name C ) ( resid 1809 and name N ) 17.9580 0.6360 ! 1810 (57 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1809 and name C ) ( resid 1810 and name N ) -18.6820 1.7400 ! 1811 (58 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1810 and name C ) ( resid 1811 and name N ) 6.2030 1.8530 ! 1812 (59 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1811 and name C ) ( resid 1812 and name N ) -12.6060 1.3360 ! 1813 (60 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1812 and name C ) ( resid 1813 and name N ) -1.9190 1.5800 ! 1814 (61 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1813 and name C ) ( resid 1814 and name N ) -15.1240 1.1950 ! 1815 (62 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1814 and name C ) ( resid 1815 and name N ) 8.2820 1.4810 ! 1816 (63 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1815 and name C ) ( resid 1816 and name N ) 3.7850 1.1190 ! 1817 (64 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1816 and name C ) ( resid 1817 and name N ) -19.1270 0.8770 ! 1818 (65 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1817 and name C ) ( resid 1818 and name N ) 13.3000 0.9260 ! 1819 (66 in construct) - LARGE ERROR !assign ( resid 999 and name OO ) ! ( resid 999 and name Z ) ! ( resid 999 and name Y ) ! ( resid 999 and name X ) ! ( resid 1818 and name C ) ! ( resid 1819 and name N ) -21.2910 4.3220 ! 1820 (67 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1819 and name C ) ( resid 1820 and name N ) 24.3740 1.0540 ! 1821 (68 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1820 and name C ) ( resid 1821 and name N ) -10.1350 1.6310 ! 1822 (69 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1821 and name C ) ( resid 1822 and name N ) 10.0820 1.1970 ! 1823 (70 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1822 and name C ) ( resid 1823 and name N ) -9.2670 1.2160 ! 1824 (71 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1823 and name C ) ( resid 1824 and name N ) -1.1830 0.7250 ! 1825 (72 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1824 and name C ) ( resid 1825 and name N ) 11.0400 1.1360 ! 1826 (73 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1825 and name C ) ( resid 1826 and name N ) -14.0740 0.9530 ! 1829 (76 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1828 and name C ) ( resid 1829 and name N ) 12.4850 1.1980 ! 1830 (77 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1829 and name C ) ( resid 1830 and name N ) -5.6310 2.0360 ! 1831 (78 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1830 and name C ) ( resid 1831 and name N ) -5.5330 1.6340 ! 1832 (79 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1831 and name C ) ( resid 1832 and name N ) -1.3270 0.7700 ! 1833 (80 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1832 and name C ) ( resid 1833 and name N ) 0.6090 1.4360 ! 1837 (84 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1836 and name C ) ( resid 1837 and name N ) 10.5180 1.6110 ! 1838 (85 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1837 and name C ) ( resid 1838 and name N ) -0.2400 0.7270 ! 1839 (86 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1838 and name C ) ( resid 1839 and name N ) 16.6100 1.1700 ! 1840 (87 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1839 and name C ) ( resid 1840 and name N ) -15.7880 0.9470 ! 1841 (88 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1840 and name C ) ( resid 1841 and name N ) 13.5810 0.7890 ! 1842 (89 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1841 and name C ) ( resid 1842 and name N ) 10.7290 0.7750 ! 1843 (90 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1842 and name C ) ( resid 1843 and name N ) -7.4010 0.5810 ! 1846 (93 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1845 and name C ) ( resid 1846 and name N ) -3.0320 0.5600 ! 1847 (94 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1846 and name C ) ( resid 1847 and name N ) 13.4410 1.6130 ! 1850 (97 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1849 and name C ) ( resid 1850 and name N ) 12.8050 0.9740 ! 1851 (98 in construct) - LARGE ERROR !assign ( resid 999 and name OO ) ! ( resid 999 and name Z ) ! ( resid 999 and name Y ) ! ( resid 999 and name X ) ! ( resid 1850 and name C ) ! ( resid 1851 and name N ) -28.6790 3.5160 ! 1852 (99 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1851 and name C ) ( resid 1852 and name N ) 1.1940 1.1430 ! 1853 (100 in construct) - LARGE ERROR !assign ( resid 999 and name OO ) ! ( resid 999 and name Z ) ! ( resid 999 and name Y ) ! ( resid 999 and name X ) ! ( resid 1852 and name C ) ! ( resid 1853 and name N ) -14.4660 2.7610 ! 1854 (101 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1853 and name C ) ( resid 1854 and name N ) 6.8550 1.2760 ! 1856 (103 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1855 and name C ) ( resid 1856 and name N ) -13.4250 1.9660 ! 1857 (104 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1856 and name C ) ( resid 1857 and name N ) 7.1220 1.5990 ! 1858 (105 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1857 and name C ) ( resid 1858 and name N ) -15.5420 1.5470 ! 1859 (106 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1858 and name C ) ( resid 1859 and name N ) -0.6680 1.5370 ! 1860 (107 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1859 and name C ) ( resid 1860 and name N ) -15.1790 1.0820 ! 1861 (108 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1860 and name C ) ( resid 1861 and name N ) 13.9120 1.5550 ! 1863 (110 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1862 and name C ) ( resid 1863 and name N ) 0.2020 1.4770 ! 1864 (111 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1863 and name C ) ( resid 1864 and name N ) -10.5370 1.0860 ! 1865 (112 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1864 and name C ) ( resid 1865 and name N ) 0.9460 1.3420 ! 1866 (113 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1865 and name C ) ( resid 1866 and name N ) -6.4370 1.7600 ! 1868 (115 in construct) - LARGE ERROR !assign ( resid 999 and name OO ) ! ( resid 999 and name Z ) ! ( resid 999 and name Y ) ! ( resid 999 and name X ) ! ( resid 1867 and name C ) ! ( resid 1868 and name N ) 6.4300 3.9220 ! 1791 (38 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1791 and name HN ) ( resid 1791 and name N ) -15.3700 2.0000 ! 1793 (40 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1793 and name HN ) ( resid 1793 and name N ) 10.7300 2.0000 ! 1795 (42 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1795 and name HN ) ( resid 1795 and name N ) 2.1000 2.0000 ! 1796 (43 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1796 and name HN ) ( resid 1796 and name N ) 4.5400 2.0000 ! 1800 (47 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1800 and name HN ) ( resid 1800 and name N ) 12.2400 2.0000 ! 1802 (49 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1802 and name HN ) ( resid 1802 and name N ) -1.0100 2.0000 ! 1802 (49 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1802 and name HE1 ) ( resid 1802 and name NE1 ) 14.2700 2.0000 ! 1803 (50 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1803 and name HN ) ( resid 1803 and name N ) -0.2800 2.0000 ! 1804 (51 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1804 and name HN ) ( resid 1804 and name N ) 16.6600 2.0000 ! 1805 (52 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1805 and name HN ) ( resid 1805 and name N ) -4.3000 2.0000 ! 1806 (53 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1806 and name HN ) ( resid 1806 and name N ) -0.4300 2.0000 ! 1808 (55 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1808 and name HN ) ( resid 1808 and name N ) -6.4600 2.0000 ! 1810 (57 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1810 and name HN ) ( resid 1810 and name N ) -15.5200 2.0000 ! 1811 (58 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1811 and name HN ) ( resid 1811 and name N ) 0.6600 2.0000 ! 1812 (59 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1812 and name HN ) ( resid 1812 and name N ) 19.6900 2.0000 ! 1813 (60 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1813 and name HN ) ( resid 1813 and name N ) 13.9200 2.0000 ! 1814 (61 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1814 and name HN ) ( resid 1814 and name N ) 11.8400 2.0000 ! 1815 (62 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1815 and name HN ) ( resid 1815 and name N ) 1.7400 2.0000 ! 1817 (64 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1817 and name HN ) ( resid 1817 and name N ) -9.5800 2.0000 ! 1820 (67 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1820 and name HN ) ( resid 1820 and name N ) 6.1300 2.0000 ! 1822 (69 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1822 and name HN ) ( resid 1822 and name N ) -2.6800 2.0000 ! 1823 (70 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1823 and name HN ) ( resid 1823 and name N ) 5.9100 2.0000 ! 1824 (71 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1824 and name HN ) ( resid 1824 and name N ) 2.3100 2.0000 ! 1825 (72 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1825 and name HN ) ( resid 1825 and name N ) -0.1600 2.0000 ! 1829 (76 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1829 and name HN ) ( resid 1829 and name N ) 5.5800 2.0000 ! 1830 (77 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1830 and name HN ) ( resid 1830 and name N ) -0.7500 2.0000 ! 1831 (78 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1831 and name HN ) ( resid 1831 and name N ) 20.7800 2.0000 ! 1832 (79 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1832 and name HN ) ( resid 1832 and name N ) 13.7300 2.0000 ! 1837 (84 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1837 and name HN ) ( resid 1837 and name N ) -7.8300 2.0000 ! 1840 (87 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1840 and name HN ) ( resid 1840 and name N ) -14.4900 2.0000 ! 1841 (88 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1841 and name HN ) ( resid 1841 and name N ) -5.1300 2.0000 ! 1842 (89 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1842 and name HN ) ( resid 1842 and name N ) 1.3900 2.0000 ! 1850 (97 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1850 and name HN ) ( resid 1850 and name N ) 1.9800 2.0000 ! 1852 (99 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1852 and name HN ) ( resid 1852 and name N ) 2.4700 2.0000 ! 1854 (101 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1854 and name HN ) ( resid 1854 and name N ) 18.6900 2.0000 ! 1858 (105 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1858 and name HN ) ( resid 1858 and name N ) 12.8200 2.0000 ! 1859 (106 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1859 and name HN ) ( resid 1859 and name N ) 12.5900 2.0000 ! 1861 (108 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1861 and name HN ) ( resid 1861 and name N ) 15.0100 2.0000 ! 1864 (111 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1864 and name HN ) ( resid 1864 and name N ) 19.4200 2.0000 ! 1865 (112 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1865 and name HN ) ( resid 1865 and name N ) 8.8900 2.0000 ! 1867 (114 in construct) assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name Y ) ( resid 999 and name X ) ( resid 1867 and name HN ) ( resid 1867 and name N ) 9.9500 2.0000
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