NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
4872 1fzs cing 1-original 1 XPLOR/CNS distance NOE ambi


! 1)
assign (resid 2 and name H8 and segid STR1)
 (resid 2 and name H1' and segid STR1) 4.6 $shortD $shortD ! 99.9 
! 2)
assign (resid 2 and name H2 and segid STR1)
 (resid 2 and name H1' and segid STR1) 4.8 $shortD $shortD ! 29.7 
! 4)
assign (resid 3 and name H6 and segid STR1)
 (resid 2 and name H1' and segid STR1) 4.0 $shortD $shortD ! 172 
! 5)
assign (resid 13 and name H8 and segid STR2)
 (resid 13 and name H1' and segid STR2) 4.6 $longD $longD ! 92.7 
! 6)
assign (resid 2 and name H2 and segid STR1)
 (resid 13 and name H1' and segid STR2) 5.3 $longD $longD ! 18.9 
! 7)
assign (resid 9 and name H6 and segid STR2)
 (resid 9 and name H1' and segid STR2) 4.6 $longD $longD ! 118 
! 8)
assign (resid 10 and name H6 and segid STR2)
 (resid 9 and name H1' and segid STR2) 4.6 $shortD $shortD ! 129 
! 9)
assign (resid 9 and name H6 and segid STR2)
 (resid 8 and name H1' and segid STR2) 4.3 $shortD $shortD ! 186 
! 11)
assign (resid 7 and name H8 and segid STR2)
 (resid 7 and name H1' and segid STR2) 4.8 $longD $longD ! 114 
! 13)
assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H1' and segid STR1) 4.2 $shortD $shortD ! 94.8 
! 14)
assign (resid 7 and name H8 and segid STR2)
 (resid 6 and name H1' and segid STR2) 3.9 $shortD $shortD ! 146 
! 16)
assign (resid 5 and name H2 and segid STR1)
 (resid 6 and name H1' and segid STR1) 4.5 $shortD $shortD ! 35.4 
! 17)
assign (resid 7 and name H6 and segid STR1)
 (resid 6 and name H1' and segid STR1) 4.1 $shortD $shortD ! 110 
! 19)
assign (resid 11 and name H8 and segid STR2)
 (resid 11 and name H1' and segid STR2) 4.1 $shortD $shortD ! 173 
! 21)
assign (resid 9 and name H7 and segid STR1)
 (resid 6 and name H1' and segid STR2) 4.1 $shortD $shortD ! 85.4 
! 22)
assign (resid 12 and name H6 and segid STR2)
 (resid 11 and name H1' and segid STR2) 4.4 $shortD $shortD ! 167 
! 23)
assign (resid 4 and name H2 and segid STR1)
 (resid 11 and name H1' and segid STR2) 4.4 $shortD $shortD ! 62.1 
! 25)
assign (resid 9 and name H8 and segid STR1)
 (resid 9 and name H1' and segid STR1) 4.2 $shortD $shortD ! 211 
! 26)
assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H1' and segid STR2) 3.4 $shortD $shortD ! 264 
! 27)
assign (resid 9 and name H9 and segid STR1)
 (resid 9 and name H1' and segid STR1) 2.0 $longD $longD ! 2310 
! 30)
assign (resid 9 and name H1 and segid STR1)
 (resid 9 and name H1' and segid STR1) 3.5 $shortD $shortD ! 216 
! 31)
assign (resid 13 and name H8 and segid STR2)
 (resid 12 and name H1' and segid STR2) 4.4 $shortD $shortD ! 88.5 
! 32)
assign (resid 12 and name H6 and segid STR2)
 (resid 12 and name H1' and segid STR2) 3.9 $shortD $shortD ! 139 
! 34)
assign (resid 4 and name H6 and segid STR2)
 (resid 4 and name H1' and segid STR2) 3.7 $shortD $shortD ! 116 
! 38)
assign (resid 9 and name H1 and segid STR1)
 (resid 8 and name H1' and segid STR1) 3.7 $shortD $shortD ! 211 
! 39)
assign (resid 9 and name H2 and segid STR1)
 (resid 8 and name H1' and segid STR1) 5.3 $longD $longD ! 34.9 
! 41)
assign (resid 2 and name H6 and segid STR2)
 (resid 2 and name H1' and segid STR2) 3.5 $shortD $shortD ! 145 
! 43)
assign (resid 11 and name H8 and segid STR2)
 (resid 10 and name H1' and segid STR2) 4.4 $shortD $shortD ! 127 
! 44)
assign (resid 10 and name H6 and segid STR2)
 (resid 10 and name H1' and segid STR2) 3.8 $shortD $shortD ! 125 
! 45)
assign (resid 4 and name H2 and segid STR1)
 (resid 10 and name H1' and segid STR2) 4.9 $shortD $shortD ! 43.6 
! 47)
assign (resid 6 and name H8 and segid STR1)
 (resid 5 and name H1' and segid STR1) 3.7 $shortD $shortD ! 155 

!moved to violations
! 48)
!assign (resid 4 and name H2 and segid STR1)
! (resid 4 and name H1' and segid STR1) 5.5 $longD $longD ! 15.6 

! 49)
assign (resid 4 and name H8 and segid STR1)
 (resid 4 and name H1' and segid STR1) 4.4 $shortD $shortD ! 101 
! 51)
assign (resid 2 and name H8 and segid STR1)
 (resid 1 and name H1' and segid STR1) 5.0 $longD $longD ! 56.3 
! 52)
assign (resid 1 and name H6 and segid STR1)
 (resid 1 and name H1' and segid STR1) 4.0 $longD $longD ! 214 
! 54)
assign (resid 2 and name H8 and segid STR1)
 (resid 3 and name H5 and segid STR1) 4.0 $shortD $shortD ! 83.5 
! 57)
assign (resid 4 and name H8 and segid STR1)
 (resid 3 and name H1' and segid STR1) 4.9 $longD $longD ! 66 
! 58)
assign (resid 2 and name H2 and segid STR1)
 (resid 3 and name H1' and segid STR1) 4.4 $shortD $shortD ! 57.7 
! 60)
assign (resid 7 and name H6 and segid STR1)
 (resid 7 and name H1' and segid STR1) 4.3 $shortD $shortD ! 117 
! 61)
assign (resid 4 and name H8 and segid STR1)
 (resid 4 and name H3' and segid STR1) 4.8 $shortD $shortD ! 135 

!moved to violations
! 62)
!assign (resid 8 and name H8 and segid STR1)
! (resid 8 and name H3' and segid STR1) 8.3 $longD $longD ! 0 

! 64)
assign (resid 9 and name H1 and segid STR1)
 (resid 8 and name H3' and segid STR1) 4.8 $shortD $shortD ! 57.5 
! 66)
assign (resid 2 and name H8 and segid STR1)
 (resid 2 and name H3' and segid STR1) 4.9 $shortD $shortD ! 117 
! 67)
assign (resid 6 and name H8 and segid STR1)
 (resid 5 and name H3' and segid STR1) 4.8 $shortD $shortD ! 151 
! 71)
assign (resid 7 and name H8 and segid STR2)
 (resid 7 and name H3' and segid STR2) 3.8 $shortD $shortD ! 123 
! 72)
assign (resid 7 and name H8 and segid STR2)
 (resid 6 and name H3' and segid STR2) 5.1 $longD $longD ! 91.6 
! 73)
assign (resid 11 and name H8 and segid STR2)
 (resid 11 and name H3' and segid STR2) 4.2 $shortD $shortD ! 131 
! 74)
assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H3' and segid STR2) 4.7 $shortD $shortD ! 194 
! 75)
assign (resid 12 and name H6 and segid STR2)
 (resid 11 and name H3' and segid STR2) 5.2 $longD $longD ! 51.4 
! 76)
assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H3' and segid STR1) 4.9 $shortD $shortD ! 113 
! 77)
assign (resid 7 and name H6 and segid STR1)
 (resid 6 and name H3' and segid STR1) 4.8 $shortD $shortD ! 58.6 
! 79)
assign (resid 11 and name H8 and segid STR2)
 (resid 10 and name H3' and segid STR2) 5.1 $longD $longD ! 49 
! 82)
assign (resid 8 and name H6 and segid STR2)
 (resid 8 and name H3' and segid STR2) 3.5 $shortD $shortD ! 216 
! 83)
assign (resid 13 and name H8 and segid STR2)
 (resid 12 and name H3' and segid STR2) 5.0 $shortD $shortD ! 49.5 
! 84)
assign (resid 12 and name H6 and segid STR2)
 (resid 12 and name H3' and segid STR2) 4.0 $shortD $shortD ! 157 

!moved to violations
! 85)
!assign (resid 6 and name H6 and segid STR2)
! (resid 5 and name H3' and segid STR2) 7.3 $longD $longD ! 10.7 

! 86)
assign (resid 6 and name H2 and segid STR1)
 (resid 6 and name H1' and segid STR1) 4.5 $shortD $shortD ! 42.4 
! 87)
assign (resid 6 and name H2 and segid STR1)
 (resid 8 and name H1' and segid STR2) 5.3 $longD $longD ! 25.6 
! 88)
assign (resid 6 and name H2 and segid STR1)
 (resid 9 and name H1' and segid STR2) 4.3 $shortD $shortD ! 83.4 
! 89)
assign (resid 6 and name H2 and segid STR1)
 (resid 7 and name H1' and segid STR1) 4.6 $shortD $shortD ! 59.8 
! 91)
assign (resid 3 and name H8 and segid STR2)
 (resid 3 and name H1' and segid STR2) 3.6 $shortD $shortD ! 136 
! 92)
assign (resid 2 and name H8 and segid STR1)
 (resid 1 and name H3' and segid STR1) 4.6 $shortD $shortD ! 61.6 
! 93)
assign (resid 13 and name H8 and segid STR2)
 (resid 13 and name H3' and segid STR2) 4.1 $shortD $shortD ! 133 
! 95)
assign (resid 7 and name H6 and segid STR1)
 (resid 7 and name H3' and segid STR1) 4.3 $shortD $shortD ! 153 
! 97)
assign (resid 3 and name H8 and segid STR2)
 (resid 3 and name H3' and segid STR2) 4.4 $shortD $shortD ! 113 
! 98)
assign (resid 9 and name H1 and segid STR1)
 (resid 9 and name H3' and segid STR1) 4.5 $shortD $shortD ! 97.1 

!moved to violations
! 99)
!assign (resid 9 and name H9 and segid STR1)
! (resid 9 and name H3' and segid STR1) 6.3 $longD $longD ! 25.8 

! 100)
assign (resid 9 and name H9 and segid STR1)
 (resid 9 and name H4' and segid STR1) 5.7 $longD $longD ! 49.1 
! 102)
assign (resid 9 and name H1 and segid STR1)
 (resid 9 and name H4' and segid STR1) 5.4 $longD $longD ! 39 

!moved to violations
! 103)
!assign (resid 2 and name H8 and segid STR1)
! (resid 2 and name H4' and segid STR1) 6.1 $longD $longD ! 26.5 

!moved to violations
! 104)
!assign (resid 4 and name H8 and segid STR1)
! (resid 4 and name H4' and segid STR1) 6.2 $longD $longD ! 17.6 

! 105)
assign (resid 5 and name H8 and segid STR1)
 (resid 5 and name H4' and segid STR1) 5.7 $longD $longD ! 27.6 

! 107)
assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H4' and segid STR1) 5.3 $longD $longD ! 34.2 

!terminal, taken out
! 108)
!assign (resid 1 and name H6 and segid STR1)
! (resid 1 and name H3' and segid STR1) 5.6 $longD $longD ! 132 

! 109)
assign (resid 7 and name H8 and segid STR2)
 (resid 7 and name H4' and segid STR2) 6.1 $longD $longD ! 17 

!moved to violations
! 110)
!assign (resid 11 and name H8 and segid STR2)
! (resid 11 and name H4' and segid STR2) 6.5 $longD $longD ! 11.8 

! 111)
assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H4' and segid STR2) 5.4 $longD $longD ! 60.5 

!moved to violations
! 113)
!assign (resid 2 and name H8 and segid STR1)
! (resid 3 and name H6 and segid STR1) 5.6 $longD $longD ! 49.3 

!terminal, taken out
! 114)
!assign (resid 2 and name H8 and segid STR1)
! (resid 1 and name H6 and segid STR1) 7.1 $longD $longD ! 9.7 

!moved to violations
! 115)
!assign (resid 6 and name H8 and segid STR1)
! (resid 7 and name H6 and segid STR1) 6.1 $longD $longD ! 24.3 

! 116)
assign (resid 8 and name H6 and segid STR2)
 (resid 7 and name H8 and segid STR2) 5.6 $longD $longD ! 64.8 
! 121)
assign (resid 12 and name H6 and segid STR2)
 (resid 11 and name H8 and segid STR2) 5.8 $longD $longD ! 72.4 
! 122)
assign (resid 6 and name H2 and segid STR1)
 (resid 5 and name H2 and segid STR1) 4.2 $shortD $shortD ! 82.8 
! 125)
assign (resid 6 and name H6 and segid STR2)
 (resid 7 and name H8 and segid STR2) 3.7 $shortD $shortD ! 194 
! 126)
assign (resid 8 and name H6 and segid STR2)
 (resid 9 and name H6 and segid STR2) 4.1 $shortD $shortD ! 216 
! 127)
assign (resid 9 and name H6 and segid STR2)
 (resid 10 and name H6 and segid STR2) 3.1 $shortD $shortD ! 453 

!Moved to violations
! 130)
!assign (resid 8 and name H8 and segid STR1)
! (resid 8 and name H2'' and segid STR1) 5.5 $longD $longD ! 67.5 

! 132)
assign (resid 9 and name H1 and segid STR1)
 (resid 8 and name H2'' and segid STR1) 3.1 $shortD $shortD ! 564 
! 135)
assign (resid 9 and name H2 and segid STR1)
 (resid 8 and name H2'' and segid STR1) 4.4 $shortD $shortD ! 110 
! 141)
assign (resid 2 and name H8 and segid STR1)
 (resid 1 and name H2' and segid STR1) 4.0 $longD $longD ! 214 
! 142)
assign (resid 7 and name H8 and segid STR2)
 (resid 7 and name H2'' and segid STR2) 4.2 $shortD $shortD ! 317 
! 144)
assign (resid 4 and name H8 and segid STR1)
 (resid 4 and name H2'' and segid STR1) 4.2 $shortD $shortD ! 403 

!terminal, taken out
! 145)
!assign (resid 2 and name H8 and segid STR1)
! (resid 1 and name H2'' and segid STR1) 4.8 $longD $longD ! 298 

! 147)
assign (resid 6 and name H8 and segid STR1)
 (resid 5 and name H2'' and segid STR1) 2.9 $shortD $shortD ! 469 
! 150)
assign (resid 2 and name H8 and segid STR1)
 (resid 2 and name H2' and segid STR1) 2.4 $shortD $shortD ! 1510 
! 153)
assign (resid 12 and name H6 and segid STR2)
 (resid 11 and name H2'' and segid STR2) 2.8 $shortD $shortD ! 588 
! 154)
assign (resid 11 and name H8 and segid STR2)
 (resid 10 and name H2'' and segid STR2) 2.8 $shortD $shortD ! 923 
! 156)
assign (resid 9 and name H1 and segid STR1)
 (resid 8 and name H2' and segid STR1) 3.8 $shortD $shortD ! 240 
! 159)
assign (resid 9 and name H2 and segid STR1)
 (resid 8 and name H2' and segid STR1) 3.8 $shortD $shortD ! 160 
! 163)
assign (resid 2 and name H8 and segid STR1)
 (resid 2 and name H2'' and segid STR1) 3.8 $shortD $shortD ! 463 
! 165)
assign (resid 4 and name H8 and segid STR1)
 (resid 4 and name H2' and segid STR1) 2.5 $shortD $shortD ! 1500 
! 166)
assign (resid 5 and name H8 and segid STR1)
 (resid 4 and name H2' and segid STR1) 3.9 $shortD $shortD ! 253 
! 167)
assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H2'' and segid STR1) 3.3 $shortD $shortD ! 700 
! 168)
assign (resid 7 and name H8 and segid STR2)
 (resid 7 and name H2' and segid STR2) 2.3 $shortD $shortD ! 1580 
! 171)
assign (resid 7 and name H6 and segid STR1)
 (resid 6 and name H2'' and segid STR1) 2.8 $shortD $shortD ! 669 
! 174)
assign (resid 12 and name H6 and segid STR2)
 (resid 11 and name H2' and segid STR2) 3.3 $shortD $shortD ! 388 
! 180)
assign (resid 10 and name H6 and segid STR2)
 (resid 9 and name H2'' and segid STR2) 3.0 $shortD $shortD ! 778 
! 181)
assign (resid 8 and name H6 and segid STR2)
 (resid 8 and name H2'' and segid STR2) 3.3 $shortD $shortD ! 439 
! 184)
assign (resid 6 and name H8 and segid STR1)
 (resid 5 and name H2' and segid STR1) 3.5 $shortD $shortD ! 376 
! 185)
assign (resid 7 and name H8 and segid STR2)
 (resid 6 and name H2'' and segid STR2) 2.9 $shortD $shortD ! 640 
! 188)
assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H2'' and segid STR2) 3.7 $shortD $shortD ! 465 
! 194)
assign (resid 11 and name H8 and segid STR2)
 (resid 10 and name H2'' and segid STR2) 2.8 $shortD $shortD ! 507 
! 195)
assign (resid 10 and name H6 and segid STR2)
 (resid 10 and name H2'' and segid STR2) 3.6 $shortD $shortD ! 431 
! 200)
assign (resid 9 and name H9 and segid STR1)
 (resid 9 and name H2'' and segid STR1) 3.2 $longD $longD ! 779 
! 201)
assign (resid 9 and name H8 and segid STR1)
 (resid 9 and name H2'' and segid STR1) 4.9 $shortD $shortD ! 79.2 
! 203)
assign (resid 9 and name H1 and segid STR1)
 (resid 9 and name H2'' and segid STR1) 4.3 $shortD $shortD ! 166 
! 204)
assign (resid 7 and name H6 and segid STR1)
 (resid 6 and name H2' and segid STR1) 4.3 $shortD $shortD ! 304 
! 205)
assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H2' and segid STR1) 2.6 $shortD $shortD ! 1150 
! 208)
assign (resid 1 and name H6 and segid STR1)
 (resid 1 and name H2'' and segid STR1) 3.8 $shortD $shortD ! 209 
! 212)
assign (resid 12 and name H6 and segid STR2)
 (resid 12 and name H2'' and segid STR2) 3.9 $longD $longD ! 288 
! 213)
assign (resid 7 and name H8 and segid STR2)
 (resid 6 and name H2' and segid STR2) 3.8 $shortD $shortD ! 226 
! 215)
assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H2'' and segid STR2) 4.7 $shortD $shortD ! 92.3 
! (resid 5 and name H2'' and segid STR2) 5.2 $longD $longD ! 92.3 
! 220)
assign (resid 9 and name H6 and segid STR1)
 (resid 5 and name H2'' and segid STR2) 4.8 $shortD $shortD ! 68 
! (resid 5 and name H2'' and segid STR2) 5.2 $longD $longD ! 68 
! 227)
assign (resid 4 and name H8 and segid STR1)
 (resid 3 and name H2'' and segid STR1) 3.6 $shortD $shortD ! 204 
! 230)
assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H2' and segid STR2) 4.7 $shortD $shortD ! 91.6 
! (resid 5 and name H2' and segid STR2) 5.2 $longD $longD ! 91.6 
! 239)
assign (resid 11 and name H8 and segid STR2)
 (resid 10 and name H2' and segid STR2) 4.5 $shortD $shortD ! 203 
! 242)
assign (resid 9 and name H1 and segid STR1)
 (resid 9 and name H2' and segid STR1) 2.9 $longD $longD ! 776 
! 244)
assign (resid 9 and name H9 and segid STR1)
 (resid 9 and name H2' and segid STR1) 4.0 $longD $longD ! 275 
! 247)
assign (resid 9 and name H2 and segid STR1)
 (resid 9 and name H2' and segid STR1) 5.2 $longD $longD ! 46.4 
! 249)
assign (resid 9 and name H4 and segid STR1)
 (resid 3 and name H2' and segid STR2) 3.5 $shortD $shortD ! 91 
! 250)
assign (resid 4 and name H6 and segid STR2)
 (resid 3 and name H2' and segid STR2) 4.2 $shortD $shortD ! 120 
! 253)
assign (resid 3 and name H8 and segid STR2)
 (resid 3 and name H2' and segid STR2) 2.8 $shortD $shortD ! 977 
! 260)
assign (resid 7 and name H6 and segid STR1)
 (resid 7 and name H2'' and segid STR1) 3.9 $shortD $shortD ! 293 
! 261)
assign (resid 13 and name H8 and segid STR2)
 (resid 12 and name H2' and segid STR2) 3.6 $shortD $shortD ! 215 
! 274)
assign (resid 3 and name H8 and segid STR2)
 (resid 2 and name H2'' and segid STR2) 3.6 $shortD $shortD ! 209 
! 276)
assign (resid 1 and name H6 and segid STR1)
 (resid 1 and name H2' and segid STR1) 3.6 $shortD $shortD ! 979 
! 278)
assign (resid 4 and name H8 and segid STR1)
 (resid 3 and name H2' and segid STR1) 3.8 $shortD $shortD ! 162 
! 280)
assign (resid 3 and name H6 and segid STR1)
 (resid 3 and name H2' and segid STR1) 2.3 $longD $longD ! 1900 
! 288)
assign (resid 9 and name H5 and segid STR1)
 (resid 3 and name H2'' and segid STR2) 5.2 $longD $longD ! 72.5 
! 290)
assign (resid 9 and name H4 and segid STR1)
 (resid 3 and name H2'' and segid STR2) 4.2 $longD $longD ! 68.8 
! 312)
assign (resid 7 and name H6 and segid STR1)
 (resid 7 and name H2' and segid STR1) 2.5 $shortD $shortD ! 1470 
! 318)
assign (resid 3 and name H8 and segid STR2)
 (resid 2 and name H2' and segid STR2) 4.6 $shortD $shortD ! 56.5 
! 319)
assign (resid 2 and name H6 and segid STR2)
 (resid 2 and name H2' and segid STR2) 2.8 $longD $longD ! 699 
! 324)
assign (resid 6 and name H6 and segid STR2)
 (resid 5 and name H2' and segid STR2) 5.0 $shortD $shortD ! 136 
! 325)
assign (resid 8 and name H1' and segid STR1)
 (resid 8 and name H2'' and segid STR1) 2.7 $shortD $shortD ! 1110 
! 330)
assign (resid 2 and name H1' and segid STR1)
 (resid 2 and name H2'' and segid STR1) 3.4 $longD $longD ! 1230 
! 332)
assign (resid 3 and name H5 and segid STR1)
 (resid 2 and name H2'' and segid STR1) 3.1 $shortD $shortD ! 221 
! 333)
assign (resid 7 and name H1' and segid STR2)
 (resid 7 and name H2'' and segid STR2) 2.3 $shortD $shortD ! 1300 
! 340)
assign (resid 2 and name H1' and segid STR1)
 (resid 2 and name H2' and segid STR1) 3.9 $longD $longD ! 597 
! 342)
assign (resid 3 and name H5 and segid STR1)
 (resid 2 and name H2' and segid STR1) 3.8 $longD $longD ! 162 
! 345)
assign (resid 8 and name H1' and segid STR1)
 (resid 8 and name H2' and segid STR1) 3.0 $shortD $shortD ! 734 
! 348)
assign (resid 4 and name H1' and segid STR1)
 (resid 4 and name H2' and segid STR1) 3.1 $shortD $shortD ! 718 
! 351)
assign (resid 7 and name H1' and segid STR2)
 (resid 7 and name H2' and segid STR2) 3.0 $shortD $shortD ! 663 
! 355)
assign (resid 13 and name H1' and segid STR2)
 (resid 13 and name H2' and segid STR2) 3.6 $shortD $shortD ! 534 
! 363)
assign (resid 8 and name H1' and segid STR2)
 (resid 8 and name H2'' and segid STR2) 2.9 $shortD $shortD ! 1510 
! 366)
assign (resid 9 and name H1' and segid STR2)
 (resid 9 and name H2'' and segid STR2) 2.4 $shortD $shortD ! 1470 
! 371)
assign (resid 5 and name H1' and segid STR1)
 (resid 5 and name H2' and segid STR1) 3.4 $shortD $shortD ! 739 
! 375)
assign (resid 10 and name H1' and segid STR2)
 (resid 10 and name H2'' and segid STR2) 2.5 $shortD $shortD ! 1400 
! 386)
assign (resid 1 and name H5 and segid STR1)
 (resid 1 and name H2'' and segid STR1) 4.3 $shortD $shortD ! 85 
! 391)
assign (resid 13 and name H1' and segid STR2)
 (resid 13 and name H2'' and segid STR2) 2.5 $shortD $shortD ! 1480 
! 392)
assign (resid 1 and name H1' and segid STR1)
 (resid 1 and name H2'' and segid STR1) 2.7 $shortD $shortD ! 964 

! 394)
assign (resid 12 and name H1' and segid STR2)
 (resid 12 and name H2'' and segid STR2) 2.5 $longD $longD ! 1600 

! 397)
assign (resid 6 and name H1' and segid STR2)
 (resid 6 and name H2' and segid STR2) 2.9 $shortD $shortD ! 623 
! 402)
assign (resid 4 and name H1' and segid STR2)
 (resid 4 and name H2'' and segid STR2) 2.3 $shortD $shortD ! 1030 
! 405)
assign (resid 9 and name H1' and segid STR2)
 (resid 9 and name H2' and segid STR2) 3.1 $shortD $shortD ! 598 
! 408)
assign (resid 8 and name H1' and segid STR2)
 (resid 8 and name H2' and segid STR2) 3.3 $longD $longD ! 711 
! 411)
assign (resid 10 and name H1' and segid STR2)
 (resid 10 and name H2' and segid STR2) 3.2 $shortD $shortD ! 579 
! 414)
assign (resid 9 and name H1' and segid STR1)
 (resid 9 and name H2' and segid STR1) 3.2 $shortD $shortD ! 534 
! 417)
assign (resid 4 and name H5 and segid STR2)
 (resid 3 and name H2' and segid STR2) 4.1 $shortD $shortD ! 85.5 
! 418)
assign (resid 3 and name H1' and segid STR2)
 (resid 3 and name H2' and segid STR2) 3.4 $shortD $shortD ! 297 
! 419)
assign (resid 7 and name H1' and segid STR1)
 (resid 7 and name H2'' and segid STR1) 2.8 $shortD $shortD ! 1250 
! 425)
assign (resid 1 and name H1' and segid STR1)
 (resid 1 and name H2' and segid STR1) 3.7 $shortD $shortD ! 304 
! 429)
assign (resid 1 and name H5 and segid STR1)
 (resid 1 and name H2' and segid STR1) 4.3 $shortD $shortD ! 121 
! 439)
assign (resid 4 and name H1' and segid STR2)
 (resid 4 and name H2' and segid STR2) 3.7 $longD $longD ! 436 
! 445)
assign (resid 3 and name H1' and segid STR2)
 (resid 3 and name H2'' and segid STR2) 2.9 $shortD $shortD ! 824 

! 462)
assign (resid 7 and name H1' and segid STR1)
 (resid 7 and name H2' and segid STR1) 3.3 $longD $longD ! 421 

! 464)
assign (resid 2 and name H1' and segid STR2)
 (resid 2 and name H2' and segid STR2) 4.0 $longD $longD ! 138 
! 471)
assign (resid 2 and name H1' and segid STR1)
 (resid 3 and name H5 and segid STR1) 4.2 $shortD $shortD ! 109 

!moved to violations
! 472)
!assign (resid 2 and name H1' and segid STR1)
! (resid 2 and name H3' and segid STR1) 5.6 $longD $longD ! 155 

! 473)
assign (resid 2 and name H1' and segid STR1)
 (resid 2 and name H4' and segid STR1) 3.7 $shortD $shortD ! 303 
! 474)
assign (resid 13 and name H1' and segid STR2)
 (resid 13 and name H3' and segid STR2) 4.1 $shortD $shortD ! 152 
! 475)
assign (resid 9 and name H1' and segid STR2)
 (resid 9 and name H3' and segid STR2) 4.8 $longD $longD ! 104 
! 476)
assign (resid 8 and name H1' and segid STR2)
 (resid 8 and name H3' and segid STR2) 4.7 $shortD $shortD ! 123 
! 477)
assign (resid 7 and name H1' and segid STR2)
 (resid 7 and name H3' and segid STR2) 3.4 $shortD $shortD ! 175 
! 478)
assign (resid 7 and name H1' and segid STR2)
 (resid 7 and name H4' and segid STR2) 3.3 $shortD $shortD ! 383 

!Moved to violations
! 480)
!assign (resid 7 and name H1' and segid STR1)
! (resid 7 and name H3' and segid STR1) 4.2 $longD $longD ! 132 

!Moved to violations
! 481)
!assign (resid 4 and name H5 and segid STR2)
! (resid 4 and name H3' and segid STR2) 5.1 $longD $longD ! 87.1 

! 482)
assign (resid 4 and name H1' and segid STR2)
 (resid 4 and name H3' and segid STR2) 4.7 $shortD $shortD ! 76 

!moved to violations
! 483)
!assign (resid 12 and name H1' and segid STR2)
! (resid 12 and name H3' and segid STR2) 5.6 $longD $longD ! 72.1 


! 484)
assign (resid 10 and name H1' and segid STR2)
 (resid 10 and name H3' and segid STR2) 5.0 $longD $longD ! 102 
! 487)
assign (resid 8 and name H1' and segid STR1)
 (resid 8 and name H3' and segid STR1) 4.1 $longD $longD ! 200 
! 490)
assign (resid 3 and name H5 and segid STR1)
 (resid 2 and name H3' and segid STR1) 4.9 $longD $longD ! 55.6 

!moved to violations
! 491)
!assign (resid 9 and name H1' and segid STR1)
! (resid 9 and name H3' and segid STR1) 5.0 $longD $longD ! 98 

! 492)
assign (resid 6 and name H1' and segid STR2)
 (resid 6 and name H4' and segid STR2) 3.2 $shortD $shortD ! 353 
! 493)
assign (resid 1 and name H1' and segid STR1)
 (resid 1 and name H3' and segid STR1) 4.8 $longD $longD ! 65 
! 494)
assign (resid 2 and name H3' and segid STR2)
 (resid 2 and name H2' and segid STR2) 2.9 $shortD $shortD ! 726 
! 495)
assign (resid 2 and name H3' and segid STR2)
 (resid 2 and name H2'' and segid STR2) 3.5 $shortD $shortD ! 407 
! 496)
assign (resid 8 and name H3' and segid STR1)
 (resid 8 and name H2'' and segid STR1) 2.9 $shortD $shortD ! 840 
! 498)
assign (resid 6 and name H3' and segid STR1)
 (resid 6 and name H2' and segid STR1) 2.5 $shortD $shortD ! 1370 
! 499)
assign (resid 10 and name H3' and segid STR2)
 (resid 10 and name H2'' and segid STR2) 3.3 $shortD $shortD ! 716 
! 500)
assign (resid 6 and name H3' and segid STR2)
 (resid 6 and name H2' and segid STR2) 2.5 $shortD $shortD ! 1450 
! 501)
assign (resid 12 and name H3' and segid STR2)
 (resid 12 and name H2'' and segid STR2) 3.0 $shortD $shortD ! 753 
! 504)
assign (resid 12 and name H3' and segid STR2)
 (resid 12 and name H2' and segid STR2) 2.7 $shortD $shortD ! 1210 
! 506)
assign (resid 3 and name H3' and segid STR1)
 (resid 3 and name H2' and segid STR1) 2.5 $shortD $shortD ! 994 
! 507)
assign (resid 7 and name H3' and segid STR1)
 (resid 7 and name H2' and segid STR1) 2.6 $shortD $shortD ! 1140 
! 508)
assign (resid 1 and name H3' and segid STR1)
 (resid 1 and name H2' and segid STR1) 2.9 $shortD $shortD ! 931 
! 509)
assign (resid 7 and name H3' and segid STR1)
 (resid 7 and name H2'' and segid STR1) 2.9 $shortD $shortD ! 583 
! 512)
assign (resid 13 and name H3' and segid STR2)
 (resid 13 and name H2' and segid STR2) 2.7 $shortD $shortD ! 892 
! 513)
assign (resid 3 and name H3' and segid STR2)
 (resid 3 and name H2' and segid STR2) 2.8 $shortD $shortD ! 893 
! 514)
assign (resid 4 and name H3' and segid STR2)
 (resid 4 and name H2'' and segid STR2) 3.6 $shortD $shortD ! 561 
! 515)
assign (resid 9 and name H3' and segid STR1)
 (resid 9 and name H2' and segid STR1) 3.1 $longD $longD ! 1190 

! 516)
assign (resid 9 and name H3' and segid STR1)
 (resid 9 and name H2'' and segid STR1) 3.7 $longD $longD ! 569 

! 517)
assign (resid 5 and name H3' and segid STR2)
 (resid 5 and name H2'' and segid STR2) 2.6 $shortD $shortD ! 965 

! Positive restraints. Based on NOESY 300ms data
assign (resid 9 and name H6 and segid STR1)
 (resid 5 and name H1' and segid STR2) 5.2 $longD $longD ! 

assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H1' and segid STR2) 5.2 $longD $longD ! 

assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H1'' and segid STR2) 5.2 $longD $longD ! 

!Based on a NOESY300 x-pk, G16H8 : C17H1'
assign (resid 3 and name H8 and segid STR2)
 (resid 4 and name H1' and segid STR2) 5.5 $longD $longD ! 

!Based on a NOESY300 x-pk, P9H2 : T15CH3
assign (resid 9 and name H2 and segid STR1)
 ((resid 2 and name H51 and segid STR2) or
 (resid 2 and name H52 and segid STR2) or
 (resid 2 and name H53 and segid STR2)) 5.5 $longD $longD !


! Negative restraints. Complement to peaks 215, 220, 230 - Pyr-Fur.
assign (resid 9 and name H6 and segid STR1)
 (resid 5 and name H3' and segid STR2) $negativeD $shortD 10 !

assign (resid 9 and name H6 and segid STR1)
 (resid 5 and name H4' and segid STR2) $negativeD $shortD 10 !

assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H3' and segid STR2) $negativeD $shortD 10 !

assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H4' and segid STR2) $negativeD $shortD 10 !

! Negative restraints. C17-G16 - no x-pks.
!assign (resid 3 and name H2' and segid STR2)
! (resid 4 and name H2' and segid STR2) $negativeD $shortD 10 ! 

!assign (resid 3 and name H2' and segid STR2)
! (resid 4 and name H2'' and segid STR2) $negativeD $shortD 10 ! 


! Positive A8H8 xpks.
! 62)
assign (resid 8 and name H8 and segid STR1)
 (resid 8 and name H3' and segid STR1) 6.0 $longD $longD  ! 0 

! 130)
assign (resid 8 and name H8 and segid STR1)
 (resid 8 and name H2'' and segid STR1) 5.0 $longD $longD  ! 67.5 


! Positive xpks for the single strand
! 481)
assign (resid 4 and name H5 and segid STR2)
 (resid 4 and name H3' and segid STR2) 5.1 $longD $longD  ! 87.1 

! 96)
assign (resid 4 and name H6 and segid STR2)
 (resid 3 and name H3' and segid STR2) 5.6 $longD $longD  !


! 10)
assign (resid 8 and name H6 and segid STR2)
 (resid 8 and name H1' and segid STR2) 3.8 $longD $longD  !
! 10)
assign (resid 8 and name H6 and segid STR2)
 (resid 7 and name H1' and segid STR2) 4.3 $longD $longD  !
! 50)
assign (resid 5 and name H8 and segid STR1)
 (resid 4 and name H1' and segid STR1) 3.6 $longD $longD  !
! 50)
assign (resid 5 and name H8 and segid STR1)
 (resid 5 and name H1' and segid STR1) 4.7 $longD $longD  !
! 55)
!assign (resid 3 and name H6 and segid STR1)
! (resid 3 and name H5 and segid STR1) 2.5 $longD $longD  !
! 55)
assign (resid 3 and name H6 and segid STR1)
 (resid 3 and name H1' and segid STR1) 5.0 $longD $longD  !
! (resid 3 and name H1' and segid STR1) 5.4 $longD $longD  !

!moved to violations
! 70)
!assign (resid 8 and name H6 and segid STR2)
! (resid 7 and name H3' and segid STR2) 7.0 $longD $longD  !
! 70)
assign (resid 3 and name H6 and segid STR1)
 (resid 2 and name H3' and segid STR1) 4.6 $longD $longD  !
! 80)
assign (resid 10 and name H6 and segid STR2)
 (resid 9 and name H3' and segid STR2) 4.2 $longD $longD  !
! 80)
assign (resid 10 and name H6 and segid STR2)
 (resid 10 and name H3' and segid STR2) 4.6 $longD $longD  !
! 81)
assign (resid 9 and name H6 and segid STR2)
 (resid 8 and name H3' and segid STR2) 5.0 $longD $longD  !
! 81)
assign (resid 9 and name H6 and segid STR2)
 (resid 9 and name H3' and segid STR2) 3.8 $longD $longD  !
! 96)
assign (resid 4 and name H6 and segid STR2)
 (resid 4 and name H3' and segid STR2) 3.5 $longD $longD  !

!moved to violations
! 96)
!assign (resid 4 and name H6 and segid STR2)
! (resid 3 and name H3' and segid STR2) 6.3 $longD $longD  !

! 137)
!assign (resid 3 and name H6 and segid STR1)
! (resid 2 and name H2'' and segid STR1) 2.9 $longD $longD  !
! 137)
!assign (resid 8 and name H6 and segid STR2)
! (resid 7 and name H2'' and segid STR2) 2.4 $longD $longD  !
! 146)
!assign (resid 5 and name H8 and segid STR1)
! (resid 4 and name H2'' and segid STR1) 2.9 $longD $longD  !
! 146)
!assign (resid 5 and name H8 and segid STR1)
! (resid 5 and name H2'' and segid STR1) 4.2 $longD $longD  !
! 148)
assign (resid 3 and name H6 and segid STR1)
 (resid 2 and name H2' and segid STR1) 4.5 $longD $longD  !
! 148)
assign (resid 8 and name H6 and segid STR2)
 (resid 7 and name H2' and segid STR2) 3.7 $longD $longD  !
! 176)
assign (resid 13 and name H8 and segid STR2)
 (resid 13 and name H2' and segid STR2) 2.6 $longD $longD  !
! 176)
assign (resid 11 and name H8 and segid STR2)
 (resid 11 and name H2' and segid STR2) 3.5 $longD $longD  !
! 179)
assign (resid 9 and name H6 and segid STR2)
 (resid 9 and name H2'' and segid STR2) 3.6 $longD $longD  !
! 179)
!assign (resid 9 and name H6 and segid STR2)
! (resid 8 and name H2'' and segid STR2) 2.8 $longD $longD  !
! 214)
assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H2' and segid STR2) 2.4 $longD $longD  !
! 214)
assign (resid 6 and name H6 and segid STR2)
 (resid 5 and name H2'' and segid STR2) 4.9 $longD $longD  !
! 234)
!assign (resid 9 and name H6 and segid STR2)
! (resid 9 and name H2' and segid STR2) 2.0 $longD $longD  !
! 234)
!assign (resid 9 and name H6 and segid STR2)
! (resid 8 and name H2' and segid STR2) 2.0 $longD $longD  !
! 238)
!assign (resid 10 and name H6 and segid STR2)
! (resid 10 and name H2' and segid STR2) 2.3 $longD $longD  !
! 238)
!assign (resid 10 and name H6 and segid STR2)
! (resid 9 and name H2' and segid STR2) 2.1 $longD $longD  !
! 275)
assign (resid 12 and name H6 and segid STR2)
 (resid 12 and name H2' and segid STR2) 3.2 $longD $longD  !
! 275)
assign (resid 2 and name H6 and segid STR2)
 (resid 2 and name H2'' and segid STR2) 3.6 $longD $longD  !
! 323)
assign (resid 4 and name H6 and segid STR2)
 (resid 4 and name H2' and segid STR2) 3.1 $longD $longD  !
! 323)
assign (resid 4 and name H6 and segid STR2)
 (resid 3 and name H2'' and segid STR2) 3.5 $longD $longD  !
! 337)
assign (resid 4 and name H1' and segid STR1)
 (resid 4 and name H2'' and segid STR1) 2.3 $longD $longD  !
! 337)
assign (resid 5 and name H1' and segid STR1)
 (resid 5 and name H2'' and segid STR1) 2.0 $longD $longD  !
! 381)
assign (resid 6 and name H1' and segid STR1)
 (resid 6 and name H2' and segid STR1) 2.7 $longD $longD  !
! 381)
assign (resid 9 and name H1' and segid STR1)
 (resid 9 and name H2'' and segid STR1) 2.4 $longD $longD  !
! 400)
assign (resid 3 and name H1' and segid STR1)
 (resid 3 and name H2'' and segid STR1) 4.0 $longD $longD  !
! 400)
assign (resid 3 and name H5 and segid STR1)
 (resid 3 and name H2'' and segid STR1) 5.3 $longD $longD  !
! 424)
assign (resid 12 and name H1' and segid STR2)
 (resid 12 and name H2' and segid STR2) 3.8 $longD $longD  !
! 424)
assign (resid 2 and name H1' and segid STR2)
 (resid 2 and name H2'' and segid STR2) 2.7 $longD $longD  !
! 438)
!assign (resid 3 and name H1' and segid STR1)
! (resid 3 and name H2' and segid STR1) 4.8 $longD $longD  !
! 438)
assign (resid 3 and name H5 and segid STR1)
 (resid 3 and name H2' and segid STR1) 4.1 $longD $longD  !
! 440)
assign (resid 4 and name H5 and segid STR2)
 (resid 4 and name H2' and segid STR2) 4.8 $longD $longD  !
! 440)
assign (resid 4 and name H5 and segid STR2)
 (resid 3 and name H2'' and segid STR2) 4.5 $longD $longD  !
! 468)
assign (resid 6 and name H1' and segid STR2)
 (resid 6 and name H2'' and segid STR2) 2.7 $longD $longD  !
! 468)
assign (resid 11 and name H1' and segid STR2)
 (resid 11 and name H2' and segid STR2) 3.4 $longD $longD  !
! 469)
assign (resid 6 and name H1' and segid STR1)
 (resid 6 and name H2'' and segid STR1) 2.7 $longD $longD  !
! 469)
assign (resid 11 and name H1' and segid STR2)
 (resid 11 and name H2'' and segid STR2) 2.3 $longD $longD  !
! 182)


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