Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25653 | 2kav RC | 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