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
546077 2lpt 18275 cing 1-original 3 AMBER dipolar coupling


#
#          Alignment tensor:     0.000     0.000     0.000
#                                0.000     0.000     0.000
#                                0.000     0.000     0.000
#  gigj = 37*7.84665, dwt = 37*0.01,
#  use freezemol=.true. from initial structure to get tensor!
#     freezemol=.true.,

 &align
  ndip=37, dcut = -1.0, gigj = 37*7.84665, dwt = 37*0.01,
  s11 =   0.000, s22=   0.000, s12=   0.000, s13=    0.000, s23=   0.000,
  id(1)= 55, jd(1)= 56, dobsl(1)= 26.4, dobsu(1)= 30.4,
  id(2)= 767, jd(2)= 768, dobsl(2)= 23.2, dobsu(2)= 27.2,
  id(3)= 1083, jd(3)= 1084, dobsl(3)= 43.2, dobsu(3)= 47.2,
  id(4)= 1053, jd(4)= 1054, dobsl(4)= 46.6, dobsu(4)= 50.6,
  id(5)= 664, jd(5)= 665, dobsl(5)= 12.2, dobsu(5)= 16.2,
  id(6)= 275, jd(6)= 276, dobsl(6)= 26.2, dobsu(6)= 30.2,
  id(7)= 1023, jd(7)= 1024, dobsl(7)= 44.6, dobsu(7)= 48.6,
  id(8)= 115, jd(8)= 116, dobsl(8)= 19.7, dobsu(8)= 23.7,
  id(9)= 211, jd(9)= 212, dobsl(9)= 44.0, dobsu(9)= 48.0,
  id(10)= 1051, jd(10)= 1052, dobsl(10)= 23.0, dobsu(10)= 27.0,
  id(11)= 1081, jd(11)= 1082, dobsl(11)= 9.8, dobsu(11)= 13.8,
  id(12)= 662, jd(12)= 663, dobsl(12)= 14.3, dobsu(12)= 18.3,
  id(13)= 727, jd(13)= 728, dobsl(13)= 43.2, dobsu(13)= 47.2,
  id(14)= 889, jd(14)= 890, dobsl(14)= 23.8, dobsu(14)= 27.8,
  id(15)= 303, jd(15)= 304, dobsl(15)= 38.2, dobsu(15)= 42.2,
  id(16)= 46, jd(16)= 47, dobsl(16)= 22.8, dobsu(16)= 26.8,
  id(17)= 598, jd(17)= 599, dobsl(17)= 20.4, dobsu(17)= 24.4,
  id(18)= 824, jd(18)= 825, dobsl(18)= 25.8, dobsu(18)= 29.8,
  id(19)= 402, jd(19)= 403, dobsl(19)= 10.2, dobsu(19)= 14.2,
  id(20)= 239, jd(20)= 240, dobsl(20)= 27.4, dobsu(20)= 31.4,
  id(21)= 12, jd(21)= 13, dobsl(21)= 26.0, dobsu(21)= 30.0,
  id(22)= 987, jd(22)= 988, dobsl(22)= 46.6, dobsu(22)= 50.6,
  id(23)= 79, jd(23)= 80, dobsl(23)= 29.9, dobsu(23)= 33.9,
  id(24)= 43, jd(24)= 44, dobsl(24)= -48.9, dobsu(24)= -44.9,
  id(25)= 76, jd(25)= 77, dobsl(25)= -30.3, dobsu(25)= -26.3,
  id(26)= 206, jd(26)= 207, dobsl(26)= -19.9, dobsu(26)= -15.9,
  id(27)= 236, jd(27)= 237, dobsl(27)= -14.6, dobsu(27)= -10.6,
  id(28)= 365, jd(28)= 366, dobsl(28)= 17.9, dobsu(28)= 21.9,
  id(29)= 399, jd(29)= 400, dobsl(29)= -4.7, dobsu(29)= -0.7,
  id(30)= 690, jd(30)= 691, dobsl(30)= -6.4, dobsu(30)= -2.4,
  id(31)= 724, jd(31)= 725, dobsl(31)= 10.5, dobsu(31)= 14.5,
  id(32)= 755, jd(32)= 756, dobsl(32)= 9.4, dobsu(32)= 13.4,
  id(33)= 821, jd(33)= 822, dobsl(33)= -44.9, dobsu(33)= -40.9,
  id(34)= 886, jd(34)= 887, dobsl(34)= -51.9, dobsu(34)= -47.9,
  id(35)= 919, jd(35)= 920, dobsl(35)= -50.4, dobsu(35)= -46.4,
  id(36)= 1048, jd(36)= 1049, dobsl(36)= -14.2, dobsu(36)= -10.2,
  id(37)= 1078, jd(37)= 1079, dobsl(37)= -29.4, dobsu(37)= -25.4,
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