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
555837 2lwg 18625 cing 1-original 2 AMBER dipolar coupling 

#  medium2 weighting for rdcs (0.6-0.8)
#  Toleranz fuer kategorie a: +- 0.75
#  Toleranz fuer kategorie b: +- 1.25
#  Toleranz fuer kategorie c: +- 2
#  Individuelle Gewichtung fuer Kategorie a+ (6 Adenine H2's)
#  
#  freezemol=false
#

&align
   freezemol=false,  ndip=46, dcut=-1.0,
   gigj=46*7.8466509,
   s11=15.822, s22=-34.515, s12=5.405, s13=43.725, s23=0.335,

dwt(1)=0.6,
dwt(2)=0.6,
dwt(3)=0.6,
dwt(4)=0.6,
dwt(5)=0.6,
dwt(6)=0.6,
dwt(39)=0.6,
dwt(40)=0.6,
dwt(41)=0.6,
dwt(42)=0.6,
dwt(43)=0.6,
dwt(44)=0.6,
dwt(7)=0.6,
dwt(8)=0.6,
dwt(9)=0.6,
dwt(10)=0.6,
dwt(11)=0.6,
dwt(12)=0.6,
dwt(13)=0.6,
dwt(14)=0.6,
dwt(15)=0.6,
dwt(16)=0.6,
dwt(17)=0.6,
dwt(18)=0.6,
dwt(19)=0.6,
dwt(20)=0.6,
dwt(21)=0.6,
dwt(22)=0.6,
dwt(23)=0.8,
dwt(24)=0.8,
dwt(25)=0.8,
dwt(26)=0.8,
dwt(27)=0.8,
dwt(28)=0.8,
dwt(29)=0.6,
dwt(30)=0.6,
dwt(31)=0.6,
dwt(32)=0.6,
dwt(33)=0.6,
dwt(34)=0.6,
dwt(35)=0.6,
dwt(36)=0.6,
dwt(45)=0.6,
dwt(46)=0.6,
dwt(37)=0.6,
dwt(38)=0.6,

   id(1)=267,   jd(1)=268,    dobsl(1)=3.66,  dobsu(1)=5.16,  dij(1)=1.090,
   id(2)=584,   jd(2)=585,    dobsl(2)=3.66,  dobsu(2)=5.16,  dij(2)=1.090,
   id(3)=75,    jd(3)=76,     dobsl(3)=8.17,  dobsu(3)=10.67,  dij(3)=1.090, 
   id(4)=392,   jd(4)=393,    dobsl(4)=8.17,  dobsu(4)=10.67,  dij(4)=1.090,
   id(5)=235,   jd(5)=236,    dobsl(5)=13.35,  dobsu(5)=17.35,  dij(5)=1.090, 
   id(6)=552,   jd(6)=553,    dobsl(6)=13.35,  dobsu(6)=17.35,  dij(6)=1.090, 
   id(7)=72,    jd(7)=73,     dobsl(7)=-2.25,  dobsu(7)=-0.75,  dij(7)=1.090, 
   id(8)=389,   jd(8)=390,    dobsl(8)=-2.25,  dobsu(8)=-0.75,  dij(8)=1.090, 
   id(9)=39,    jd(9)=40,     dobsl(9)=1.51,  dobsu(9)=3.01,   dij(9)=1.090, 
   id(10)=356,   jd(10)=357,  dobsl(10)=1.51, dobsu(10)=3.01,  dij(10)=1.090, 
   id(11)=294,   jd(11)=295,  dobsl(11)=8.08, dobsu(11)=9.58,  dij(11)=1.090, 
   id(12)=611,   jd(12)=612,  dobsl(12)=8.08, dobsu(12)=9.58,  dij(12)=1.090, 
   id(13)=6,     jd(13)=7,    dobsl(13)=0.42, dobsu(13)=1.92,  dij(13)=1.090, 
   id(14)=323,   jd(14)=324,  dobsl(14)=0.42, dobsu(14)=1.92,  dij(14)=1.090, 
   id(15)=264,   jd(15)=265,  dobsl(15)=11.6, dobsu(15)=14.1,  dij(15)=1.090, 
   id(16)=581,   jd(16)=582,  dobsl(16)=11.6, dobsu(16)=14.1,  dij(16)=1.090, 
   id(17)=311,   jd(17)=312,  dobsl(17)=4.86, dobsu(17)=6.36,  dij(17)=1.090, 
   id(18)=628,   jd(18)=629,  dobsl(18)=4.86, dobsu(18)=6.36,  dij(18)=1.090, 
   id(19)=302,   jd(19)=303,  dobsl(19)=5.66, dobsu(19)=9.66,  dij(19)=1.080, 
   id(20)=619,   jd(20)=620,  dobsl(20)=5.66, dobsu(20)=9.66,  dij(20)=1.080, 
   id(21)=272,   jd(21)=273,  dobsl(21)=11.66, dobsu(21)=15.66,  dij(21)=1.080, 
   id(22)=589,   jd(22)=590,  dobsl(22)=11.66, dobsu(22)=15.66,  dij(22)=1.080, 
   id(23)=87,    jd(23)=88,   dobsl(23)=10.69, dobsu(23)=12.19,  dij(23)=1.080, 
   id(24)=404,   jd(24)=405,  dobsl(24)=10.69, dobsu(24)=12.19,  dij(24)=1.080, 
   id(25)=215,   jd(25)=216,  dobsl(25)=17.55, dobsu(25)=19.05,  dij(25)=1.080, 
   id(26)=532,   jd(26)=533,  dobsl(26)=17.55, dobsu(26)=19.05,  dij(26)=1.080, 
   id(27)=151,   jd(27)=152,  dobsl(27)=12.43, dobsu(27)=13.93,  dij(27)=1.080, 
   id(28)=468,   jd(28)=469,  dobsl(28)=12.43, dobsu(28)=13.93,  dij(28)=1.080, 
   id(29)=270,   jd(29)=271,  dobsl(29)=8.83, dobsu(29)=10.33,  dij(29)=1.080, 
   id(30)=587,   jd(30)=588,  dobsl(30)=8.83, dobsu(30)=10.33,  dij(30)=1.080,
   id(31)=300,   jd(31)=301,  dobsl(31)=7.92, dobsu(31)=9.42,  dij(31)=1.080,
   id(32)=617,   jd(32)=618,  dobsl(32)=7.92, dobsu(32)=9.42,  dij(32)=1.080,
   id(33)=12,   jd(33)=13,    dobsl(33)=13.47, dobsu(33)=14.97,  dij(33)=1.080,
   id(34)=329,   jd(34)=330,  dobsl(34)=13.47, dobsu(34)=14.97,  dij(34)=1.080,
   id(35)=45,   jd(35)=46,  dobsl(35)=11.02, dobsu(35)=12.52,  dij(35)=1.080,
   id(36)=362,   jd(36)=363,  dobsl(36)=11.02, dobsu(36)=12.52,  dij(36)=1.080,
   id(37)=110,   jd(37)=111,  dobsl(37)=11.5, dobsu(37)=15.5,  dij(37)=1.080,
   id(38)=427,   jd(38)=428,  dobsl(38)=11.5, dobsu(38)=15.5,  dij(38)=1.080,
   id(39)=297,   jd(39)=298,  dobsl(39)=4.18, dobsu(39)=5.68,  dij(39)=1.090,
   id(40)=614,   jd(40)=615,  dobsl(40)=4.18, dobsu(40)=5.68,  dij(40)=1.090,
   id(41)=9,   jd(41)=10,  dobsl(41)=9.75, dobsu(41)=13.25,  dij(41)=1.090,
   id(42)=326,   jd(42)=327,  dobsl(42)=9.75, dobsu(42)=13.25,  dij(42)=1.090,
   id(43)=42,   jd(43)=43,  dobsl(43)=9.75, dobsu(43)=13.25,  dij(43)=1.090,
   id(44)=359,   jd(44)=360,  dobsl(44)=9.75, dobsu(44)=13.25,  dij(44)=1.090,
   id(45)=78,   jd(45)=79,  dobsl(45)=10.01, dobsu(45)=11.51,  dij(45)=1.080,
   id(46)=395,   jd(46)=396,  dobsl(46)=10.01, dobsu(46)=11.51,  dij(46)=1.080,
/

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