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
	546067	2lps	18274	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 = 24*7.84665, dwt = 24*0.02
#  use freezemol=.true. from initial structure to get tensor!
#     freezemol=.true.,

 &align
  ndip=24, dcut = -1.0, gigj = 24*7.84665, dwt = 24*0.02 
  s11 =   0.000, s22=   0.000, s12=   0.000, s13=    0.000, s23=   0.000,
  id(1)= 55, jd(1)= 56, dobsl(1)= 27.3, dobsu(1)= 29.7,
  id(2)= 113, jd(2)= 114, dobsl(2)= 3.8, dobsu(2)= 6.2,
  id(3)= 209, jd(3)= 210, dobsl(3)= 40.8, dobsu(3)= 43.2,
  id(4)= 248, jd(4)= 249, dobsl(4)= 22.8, dobsu(4)= 25.2,
  id(5)= 239, jd(5)= 240, dobsl(5)= 32.8, dobsu(5)= 35.2,
  id(6)= 302, jd(6)= 303, dobsl(6)= 13.8, dobsu(6)= 16.2,
  id(7)= 367, jd(7)= 368, dobsl(7)= 31.8, dobsu(7)= 34.2,
  id(8)= 410, jd(8)= 411, dobsl(8)= 34.8, dobsu(8)= 37.2,
  id(9)= 401, jd(9)= 402, dobsl(9)= 41.8, dobsu(9)= 44.2,
  id(10)= 464, jd(10)= 465, dobsl(10)= -3.2, dobsu(10)= -0.8,
  id(11)= 507, jd(11)= 508, dobsl(11)= 20.8, dobsu(11)= 23.2,
  id(12)= 498, jd(12)= 499, dobsl(12)= 12.8, dobsu(12)= 15.2,
  id(13)= 540, jd(13)= 541, dobsl(13)= 14.8, dobsu(13)= 17.2,
  id(14)= 531, jd(14)= 532, dobsl(14)= 17.8, dobsu(14)= 20.2,
  id(15)= 573, jd(15)= 574, dobsl(15)= 6.8, dobsu(15)= 9.2,
  id(16)= 597, jd(16)= 598, dobsl(16)= 14.8, dobsu(16)= 17.2,
  id(17)= 661, jd(17)= 662, dobsl(17)= 33.8, dobsu(17)= 36.2,
  id(18)= 692, jd(18)= 693, dobsl(18)= 32.8, dobsu(18)= 35.2,
  id(19)= 766, jd(19)= 767, dobsl(19)= 24.8, dobsu(19)= 27.2,
  id(20)= 894, jd(20)= 895, dobsl(20)= 30.8, dobsu(20)= 33.2,
  id(21)= 885, jd(21)= 886, dobsl(21)= 34.8, dobsu(21)= 37.2,
  id(22)= 949, jd(22)= 950, dobsl(22)= 21.8, dobsu(22)= 24.2,
  id(23)= 1017, jd(23)= 1018, dobsl(23)= 2.8, dobsu(23)= 5.2,
  id(24)= 1047, jd(24)= 1048, dobsl(24)= 21.8, dobsu(24)= 24.2,
 /

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