NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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634614 |
6c0a   |
25902 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 2: Docking_unambiq_15Mar16.txt !!!Xplor NIH Convention assign (selection 1) (selection 2) d d- d+ where d is distance. !!! segid A: aEF_Clobe !!! segid B: Cav1.2 IQ (1-25) !!!! perturbation residue number !!!! aEF_clobe: 827,828,829,834,835,836,838,839,840,841,843,844,848,849,851,852,856,857,858,860,861,863,864,865,882,883,885,886,887,888,889 !!!! Cav1.2: !!!! Flexible region !!!! aEF_clobe: !!!! Cav1.2IQ: !!!Intramolecular NOE !!!Alpha Helix 1!!! assign (segid A and resid 825 and name HA )(segid A and resid 828 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 826 and name HA )(segid A and resid 829 and name HB ) 0.0 0.0 2.5 assign (segid A and resid 827 and name HA )(segid A and resid 830 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 828 and name HA )(segid A and resid 831 and name HB ) 0.0 0.0 2.5 assign (segid A and resid 829 and name HA )(segid A and resid 832 and name HB# ) 0.0 0.0 2.5 assign (segid A and resid 830 and name HA )(segid A and resid 833 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 831 and name HA )(segid A and resid 834 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 832 and name HA )(segid A and resid 835 and name HB ) 0.0 0.0 2.5 assign (segid A and resid 832 and name HA )(segid A and resid 835 and name HB ) 0.0 0.0 2.5 assign (segid A and resid 833 and name HA )(segid A and resid 836 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 833 and name HA )(segid A and resid 836 and name HB3 ) 0.0 0.0 2.5 assign (segid A and resid 834 and name HA )(segid A and resid 837 and name HB ) 0.0 0.0 2.5 !!!Alpha Helix 2!!! assign (segid A and resid 844 and name HA )(segid A and resid 847 and name HB3 ) 0.0 0.0 2.5 assign (segid A and resid 846 and name HA )(segid A and resid 849 and name HB3 ) 0.0 0.0 2.5 assign (segid A and resid 846 and name HA )(segid A and resid 849 and name HD3 ) 2.0 2.0 0.0 assign (segid A and resid 847 and name HA )(segid A and resid 850 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 847 and name HA )(segid A and resid 850 and name HB3 ) 0.0 0.0 2.5 assign (segid A and resid 848 and name HA )(segid A and resid 851 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 848 and name HA )(segid A and resid 851 and name HB3 ) 0.0 0.0 2.5 !!!Beta Sheet 1!!! assign (segid A and resid 842 and name HA )(segid A and resid 878 and name HA ) 0.0 0.0 2.5 assign (segid A and resid 842 and name HN )(segid A and resid 841 and name HA ) 0.0 0.0 3.2 assign (segid A and resid 843 and name HN )(segid A and resid 842 and name HA ) 0.0 0.0 3.2 assign (segid A and resid 843 and name HN )(segid A and resid 877 and name HN ) 0.0 0.0 3.3 assign (segid A and resid 844 and name HA )(segid A and resid 876 and name HA ) 0.0 0.0 2.5 assign (segid A and resid 876 and name HA )(segid A and resid 844 and name HA ) 0.0 0.0 2.5 assign (segid A and resid 877 and name HN )(segid A and resid 843 and name HN ) 0.0 0.0 3.3 assign (segid A and resid 878 and name HA )(segid A and resid 842 and name HA ) 0.0 0.0 2.5 assign (segid A and resid 878 and name HN )(segid A and resid 877 and name HA ) 0.0 0.0 3.2 assign (segid A and resid 879 and name HN )(segid A and resid 842 and name HA ) 0.0 0.0 4.0 assign (segid A and resid 879 and name HN )(segid A and resid 878 and name HA ) 0.0 0.0 3.2 !!!Alpha Helix 3!!! assign (segid A and resid 855 and name HA )(segid A and resid 858 and name HB3 ) 0.0 0.0 2.5 assign (segid A and resid 856 and name HA )(segid A and resid 859 and name HB3 ) 0.0 0.0 2.5 assign (segid A and resid 857 and name HA )(segid A and resid 860 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 857 and name HA )(segid A and resid 860 and name HB3 ) 0.0 0.0 2.5 assign (segid A and resid 858 and name HA )(segid A and resid 861 and name HB ) 0.0 0.0 2.5 assign (segid A and resid 859 and name HA )(segid A and resid 862 and name HB ) 0.0 0.0 2.5 assign (segid A and resid 860 and name HA )(segid A and resid 863 and name HB2 ) 0.0 0.0 2.5 assign (segid A and resid 860 and name HA )(segid A and resid 863 and name HB3 ) 0.0 0.0 2.5 !!!Alpha Helix 4!!! assign (segid A and resid 881 and name HA )(segid A and resid 884 and name HB ) 0.0 0.0 2.5 assign (segid A and resid 882 and name HA )(segid A and resid 885 and name HB ) 0.0 0.0 2.5 assign (segid A and resid 883 and name HA )(segid A and resid 886 and name HB# ) 0.0 0.0 2.5 assign (segid A and resid 884 and name HA )(segid A and resid 887 and name HB# ) 0.0 0.0 2.5 !!!Tertiary Structure!!! !!!Loop Interaction with Beta Sheet!!! assign (segid A and resid 867 and name HN )(segid A and resid 878 and name HN ) 2.0 2.0 0.0 assign (segid A and resid 867 and name HB2 )(segid A and resid 877 and name HG ) 2.0 2.0 0.0 assign (segid A and resid 867 and name HB3 )(segid A and resid 877 and name HG ) 2.0 2.0 0.0 assign (segid A and resid 868 and name HB )(segid A and resid 877 and name HG ) 2.0 2.0 0.0 assign (segid A and resid 869 and name HA2 )(segid A and resid 867 and name HD# ) 2.0 2.0 0.0 assign (segid A and resid 869 and name HA3 )(segid A and resid 867 and name HD# ) 2.0 2.0 0.0 assign (segid A and resid 872 and name HA )(segid A and resid 867 and name HD# ) 2.0 2.0 0.0 assign (segid A and resid 872 and name HB# )(segid A and resid 867 and name HD# ) 2.0 2.0 0.0 assign (segid A and resid 873 and name HG1#)(segid A and resid 867 and name HD# ) 2.0 2.0 0.0 assign (segid A and resid 873 and name HG2#)(segid A and resid 842 and name HD# ) 2.0 2.0 0.0 assign (segid A and resid 873 and name HG2#)(segid A and resid 867 and name HD# ) 2.0 2.0 0.0 assign (segid A and resid 878 and name HN )(segid A and resid 867 and name HN ) 2.0 2.0 0.0 assign (segid A and resid 878 and name HN )(segid A and resid 867 and name HD# ) 2.0 2.0 0.0 !!!Long Range NOE!!! assign (segid A and resid 882 and name HA )(segid A and resid 864 and name HG# ) 2.0 2.0 3.0 assign (segid A and resid 882 and name HB# )(segid A and resid 864 and name HG# ) 2.0 2.0 3.0 assign (segid A and resid 882 and name HB# )(segid A and resid 864 and name HE ) 2.0 2.0 3.0 assign (segid A and resid 885 and name HB )(segid A and resid 863 and name HD# ) 2.0 2.0 3.0 assign (segid A and resid 836 and name HD2#)(segid A and resid 833 and name HD# ) 2.0 2.0 3.0 assign (segid A and resid 826 and name HB )(segid A and resid 887 and name HD# ) 2.0 2.0 3.0 !!!Intermolecular NOE assign (segid A and resid 833 and name HD# ) (segid B and resid 1654 and name HD1# ) 2.0 2.0 3.0 assign (segid A and resid 836 and name HD2#) (segid B and resid 1654 and name HD1# ) 2.0 2.0 3.0 assign (segid A and resid 833 and name HD# ) (segid B and resid 1654 and name HG2# ) 2.0 2.0 3.0 assign (segid A and resid 847 and name OE# ) (segid B and resid 1647 and name HZ# ) 2.0 2.0 0.0 assign (segid A and resid 851 and name OE# ) (segid B and resid 1647 and name HZ# ) 2.0 2.0 0.0 assign (segid A and resid 835 and name HD1#) (segid B and resid 1650 and name HB# ) 2.0 2.0 3.0 !!!Intermolecular NOE (March 15 2016) assign (segid A and resid 886 and name HD1#) (segid B and resid 1657 and name HD# ) 2.0 2.0 3.0 assign (segid A and resid 886 and name HD1#) (segid B and resid 1657 and name HE# ) 2.0 2.0 3.0 assign (segid A and resid 886 and name HD1#) (segid B and resid 1658 and name HD# ) 2.0 2.0 3.0 assign (segid A and resid 886 and name HD2#) (segid B and resid 1658 and name HD# ) 2.0 2.0 3.0 assign (segid A and resid 886 and name HD2#) (segid B and resid 1658 and name HE# ) 2.0 2.0 3.0 assign (segid A and resid 886 and name HD1#) (segid B and resid 1661 and name HE# ) 2.0 2.0 3.0
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