NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

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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