NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
555398 |
2lov   |
18226 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!!!!!! 13C edited NOEs from APJ55_LPPG_37C
assign (resid 24 and name HH2) (resid 24 and name HZ3) 2.900 1.100 1.100
assign (resid 52 and name HB) (resid 52 and name HG2*) 2.900 1.100 1.100
assign (resid 27 and name HA) (resid 27 and name HB*) 2.300 0.500 0.500
assign (resid 16 and name HG*) (resid 16 and name HB*) 2.300 0.500 0.500
assign (resid 49 and name HG**) (resid 50 and name HN) 3.400 1.600 1.600
assign (resid 43 and name HG2*)
((resid 42 and name HN) or (resid 46 and name HN))
3.400 1.600 1.600
assign (resid 40 and name HG) (resid 39 and name HD*) 3.900 2.100 2.100
assign (resid 30 and name HD**) (resid 30 and name HN) 3.400 1.600 1.600
assign (resid 41 and name HA) (resid 41 and name HD**) 2.900 1.100 1.100
assign (resid 20 and name HG*) (resid 20 and name HN) 2.900 1.100 1.100
assign (resid 37 and name HB*) (resid 37 and name HD**) 2.900 1.100 1.100
assign (resid 46 and name HB*) (resid 46 and name HA) 2.300 0.500 0.500
assign (resid 30 and name HB*) (resid 30 and name HA) 3.400 1.600 1.600
!assign (resid 58 and name HA*) (resid 55 and name HG*) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (52 viol avg 0.790)
assign (resid 57 and name HG*) (resid 57 and name HD*) 2.300 0.500 0.500
assign (resid 36 and name HB*) (resid 36 and name HN) 2.900 1.100 1.100
!assign (resid 51 and name HD1)
! ((resid 49 and name HN) or (resid 53 and name HN))
! 3.900 2.100 2.100 ! incr to 6.0 after round 8. (27 viol avg 0.387)
assign (resid 6 and name HB*) (resid 7 and name HD*) 3.900 2.100 2.100
assign (resid 24 and name HA) (resid 24 and name HB*) 2.300 0.500 0.500
assign (resid 52 and name HG2*) (resid 52 and name HA) 2.900 1.100 1.100
assign (resid 26 and name HA) (resid 25 and name HD*) 2.900 1.100 1.100
assign (resid 55 and name HA) (resid 55 and name HB*) 2.900 1.100 1.100
assign (resid 48 and name HG) (resid 48 and name HA) 2.900 1.100 1.100
!assign (resid 58 and name HA*) (resid 57 and name HD*) 3.900 2.100 2.100 ! incr to 6.0 after round 12. (30 viol avg 0.247)
assign (resid 32 and name HD*) (resid 32 and name HG*) 2.900 1.100 1.100
assign (resid 39 and name HD*) (resid 36 and name HE*) 3.900 2.100 2.100
assign (resid 52 and name HG2*) (resid 49 and name HA) 2.900 1.100 1.100
assign (resid 56 and name HA) (resid 56 and name HN) 2.900 1.100 1.100
assign (resid 33 and name HB*) (resid 34 and name HN) 2.900 1.100 1.100
assign (resid 43 and name HG2*) (resid 43 and name HB) 2.900 1.100 1.100
assign (resid 57 and name HA) (resid 57 and name HB*) 2.300 0.500 0.500
assign (resid 40 and name HB*) (resid 40 and name HD**) 2.900 1.100 1.100
assign (resid 54 and name HB*) (resid 54 and name HA) 2.900 1.100 1.100
assign (resid 29 and name HA) (resid 29 and name HN) 2.900 1.100 1.100
assign (resid 20 and name HA) (resid 21 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (64 viol avg 0.093)
assign (resid 24 and name HH2) (resid 24 and name HZ2) 2.900 1.100 1.100
assign (resid 41 and name HA) (resid 44 and name HG2*) 2.900 1.100 1.100
assign (resid 34 and name HD1*) (resid 31 and name HA) 3.400 1.600 1.600
assign (resid 52 and name HG2*) (resid 53 and name HG**) 2.900 1.100 1.100
assign (resid 24 and name HA) (resid 24 and name HB*) 2.900 1.100 1.100
assign (resid 31 and name HG2*) (resid 31 and name HN) 3.900 2.100 2.100
assign (resid 32 and name HD*) (resid 31 and name HN) 3.400 1.600 1.600
assign (resid 48 and name HD**) (resid 48 and name HN) 3.400 1.600 1.600
assign ((resid 50 and name HN) or (resid 56 and name HN))
(resid 53 and name HA)
3.400 1.600 1.600
assign (resid 49 and name HG**) (resid 47 and name HN) 3.400 1.600 1.600
assign (resid 38 and name HB) (resid 38 and name HN) 2.900 1.100 1.100
assign (resid 51 and name HD1) (resid 51 and name HE1) 2.900 1.100 1.100
assign (resid 20 and name HA) (resid 20 and name HB*) 2.300 0.500 0.500
assign (resid 36 and name HB*) (resid 36 and name HG*) 2.900 1.100 1.100
assign (resid 29 and name HB*) (resid 28 and name HN) 3.900 2.100 2.100
assign (resid 52 and name HB) (resid 52 and name HN) 2.900 1.100 1.100
assign (resid 37 and name HD**) (resid 37 and name HA) 2.900 1.100 1.100
!assign (resid 58 and name HA*) (resid 57 and name HG*) 3.900 2.100 2.100 ! incr to 6.0 after round 12. (25 viol avg 0.168)
assign (resid 48 and name HG) (resid 48 and name HD**) 2.300 0.500 0.500
assign (resid 39 and name HB*) (resid 38 and name HG**) 3.400 1.600 1.600
assign (resid 11 and name HA) (resid 11 and name HB*) 2.300 0.500 0.500
assign (resid 34 and name HD1*) (resid 34 and name HB) 2.900 1.100 1.100
assign (resid 55 and name HB*) (resid 56 and name HN) 3.400 1.600 1.600
assign (resid 20 and name HN) (resid 20 and name HA) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 48 and name HG) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 30 and name HB*) 2.900 1.100 1.100
assign (resid 18 and name HG*) (resid 18 and name HB*) 2.300 0.500 0.500
assign (resid 6 and name HB*) (resid 7 and name HD*) 3.900 2.100 2.100
assign (resid 1 and name HB*) (resid 1 and name HA) 2.900 1.100 1.100
!assign (resid 27 and name HA) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 36 and name HN) (resid 36 and name HE*) 3.400 1.600 1.600
assign (resid 36 and name HG*) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 42 and name HN) (resid 42 and name HA*) 2.900 1.100 1.100
assign (resid 36 and name HE*) (resid 33 and name HN) 3.900 2.100 2.100
assign (resid 30 and name HA) (resid 31 and name HD1*) 3.400 1.600 1.600
assign (resid 30 and name HN) (resid 30 and name HB*) 2.900 1.100 1.100
assign (resid 41 and name HD**) (resid 41 and name HB*) 2.900 1.100 1.100
assign (resid 38 and name HG**) (resid 38 and name HA) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 49 and name HN) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 30 and name HG) 2.300 0.500 0.500
assign (resid 41 and name HA) (resid 41 and name HB*) 2.900 1.100 1.100
assign (resid 53 and name HG**) (resid 53 and name HA) 2.900 1.100 1.100
assign (resid 46 and name HB*) (resid 46 and name HD2*) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 48 and name HA) 3.400 1.600 1.600
assign (resid 59 and name HB*) (resid 59 and name HA) 2.900 1.100 1.100
assign (resid 38 and name HG**) (resid 38 and name HA) 2.900 1.100 1.100
assign (resid 52 and name HA) (resid 52 and name HN) 2.900 1.100 1.100
assign (resid 15 and name HB*) (resid 15 and name HD2*) 2.900 1.100 1.100
assign (resid 55 and name HB*) (resid 56 and name HA) 3.400 1.600 1.600
assign (resid 52 and name HB)
((resid 49 and name HN) or (resid 53 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 15. (25 viol avg 0.128)
assign (resid 26 and name HA) (resid 26 and name HB*) 2.300 0.500 0.500
assign (resid 38 and name HB) (resid 38 and name HA) 2.900 1.100 1.100
assign (resid 50 and name HB*) (resid 50 and name HA) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 32 and name HA) 3.400 1.600 1.600
assign (resid 50 and name HG) (resid 51 and name HN) 2.900 1.100 1.100
assign (resid 8 and name HB*) (resid 8 and name HA) 2.300 0.500 0.500
assign (resid 37 and name HB*)
((resid 35 and name HA) or (resid 37 and name HA))
2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 39 and name HA) 3.400 1.600 1.600
assign (resid 38 and name HG**) (resid 38 and name HA) 2.900 1.100 1.100
assign (resid 52 and name HG2*) (resid 56 and name HE*) 3.400 1.600 1.600
!assign (resid 29 and name HA) (resid 31 and name HD1*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14
!assign (resid 29 and name HB*) (resid 32 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 4. (59 viol avg 0.509)
assign (resid 22 and name HB) (resid 22 and name HG2*) 2.900 1.100 1.100
assign (resid 59 and name HB*) (resid 59 and name HN) 2.900 1.100 1.100
!assign (resid 31 and name HN) (resid 32 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (82 viol avg 0.059)
assign ((resid 49 and name HN) or (resid 48 and name HN) or (resid 53 and name HN))
(resid 52 and name HA)
3.400 1.600 1.600 ! incr to 6.0 after round 2. (80 viol avg 1.310)
assign (resid 30 and name HD**) (resid 30 and name HB*) 3.400 1.600 1.600
assign (resid 48 and name HD**) (resid 48 and name HB*) 2.300 0.500 0.500
assign (resid 11 and name HB*) (resid 12 and name HN) 3.400 1.600 1.600
assign (resid 25 and name HD*) (resid 25 and name HG*) 2.300 0.500 0.500
assign (resid 20 and name HG*) (resid 20 and name HB*) 2.300 0.500 0.500
assign (resid 34 and name HD1*) (resid 34 and name HA) 3.400 1.600 1.600
assign (resid 32 and name HD*) (resid 31 and name HG2*) 2.900 1.100 1.100
assign (resid 34 and name HN) (resid 34 and name HD1*) 3.400 1.600 1.600
assign (resid 56 and name HE*) (resid 56 and name HG*) 3.400 1.600 1.600
assign (resid 33 and name HN) (resid 33 and name HA) 2.900 1.100 1.100
assign (resid 40 and name HD**) (resid 36 and name HG*) 3.400 1.600 1.600
assign (resid 52 and name HB) (resid 49 and name HG**) 3.400 1.600 1.600
assign (resid 50 and name HN) (resid 50 and name HB*) 3.400 1.600 1.600
assign (resid 41 and name HB*) (resid 41 and name HG) 2.300 0.500 0.500
assign (resid 37 and name HB*) (resid 37 and name HA) 2.900 1.100 1.100
assign (resid 38 and name HG**) (resid 41 and name HB*) 3.400 1.600 1.600
assign (resid 37 and name HD**) (resid 37 and name HN) 3.400 1.600 1.600
assign (resid 57 and name HG*) (resid 57 and name HD*) 2.300 0.500 0.500
assign (resid 27 and name HB*) (resid 27 and name HN) 2.900 1.100 1.100
assign (resid 16 and name HG*) (resid 16 and name HB*) 2.300 0.500 0.500
assign (resid 24 and name HA) (resid 24 and name HB*) 2.300 0.500 0.500
assign (resid 53 and name HG**) (resid 56 and name HE*) 3.900 2.100 2.100
assign (resid 48 and name HA) (resid 48 and name HB*) 2.900 1.100 1.100
assign (resid 49 and name HN) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 16 and name HG*) (resid 16 and name HB*) 2.300 0.500 0.500
assign (resid 61 and name HB*) (resid 61 and name HA) 2.300 0.500 0.500
assign (resid 17 and name HB*) (resid 17 and name HN) 2.900 1.100 1.100
assign (resid 6 and name HB*) (resid 6 and name HA) 2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 39 and name HA) 3.400 1.600 1.600
assign ((resid 31 and name HB) or (resid 32 and name HG*))
(resid 33 and name HA)
3.400 1.600 1.600 ! incr to 5.0 after round 9. (63 viol avg 0.135)
assign (resid 30 and name HD**) (resid 30 and name HG) 2.900 1.100 1.100
assign (resid 56 and name HA) (resid 56 and name HD*) 2.900 1.100 1.100
assign (resid 55 and name HG*) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 54 and name HB*) (resid 54 and name HD*) 3.400 1.600 1.600
assign (resid 50 and name HN) (resid 50 and name HB*) 3.400 1.600 1.600
assign (resid 34 and name HN) (resid 34 and name HB) 2.900 1.100 1.100
assign (resid 31 and name HN) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 36 and name HG*) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 32 and name HB*) (resid 35 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 4. (91 viol avg 0.444)
assign (resid 55 and name HG*) (resid 55 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 13. (30 viol avg 0.090)
assign (resid 19 and name HA) (resid 19 and name HB*) 2.300 0.500 0.500
assign (resid 54 and name HA) (resid 54 and name HN) 2.900 1.100 1.100
assign (resid 59 and name HB*) (resid 59 and name HD2) 2.900 1.100 1.100
assign (resid 37 and name HA) (resid 38 and name HA) 3.400 1.600 1.600
assign (resid 64 and name HB*) (resid 64 and name HD2) 2.900 1.100 1.100
assign (resid 32 and name HD*)
((resid 31 and name HG2*) or (resid 34 and name HG2*))
3.400 1.600 1.600
assign (resid 1 and name HE*) (resid 3 and name HA) 3.900 2.100 2.100
assign (resid 55 and name HB*) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 33 and name HB*) (resid 34 and name HA) 3.400 1.600 1.600
assign (resid 20 and name HN) (resid 20 and name HB*) 2.300 0.500 0.500
assign (resid 57 and name HB*) (resid 57 and name HE*) 3.400 1.600 1.600
assign (resid 51 and name HD1) (resid 51 and name HB*) 3.400 1.600 1.600
assign (resid 10 and name HA) (resid 10 and name HD*) 3.400 1.600 1.600
assign (resid 30 and name HB*) (resid 30 and name HG) 2.300 0.500 0.500
assign (resid 31 and name HG1*) (resid 31 and name HB) 2.900 1.100 1.100
assign (resid 38 and name HN) (resid 38 and name HG**) 2.900 1.100 1.100
assign (resid 33 and name HB*) (resid 35 and name HB*) 3.900 2.100 2.100
assign (resid 32 and name HD*) (resid 32 and name HB*) 3.400 1.600 1.600
assign (resid 53 and name HG**) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 50 and name HB*) (resid 50 and name HA) 2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 21 and name HN) (resid 20 and name HB*) 2.900 1.100 1.100
!assign ((resid 48 and name HG) or (resid 30 and name HG))
! ((resid 51 and name HE3) or (resid 33 and name HN))
! 3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid 34 and name HD1*) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 41 and name HB*) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 18 and name HB*) (resid 18 and name HA) 2.300 0.500 0.500
assign (resid 31 and name HG2*) (resid 35 and name HE*) 3.900 2.100 2.100
assign (resid 58 and name HA*) (resid 59 and name HB*) 3.400 1.600 1.600
assign (resid 55 and name HA) (resid 55 and name HD*) 3.400 1.600 1.600
assign (resid 30 and name HD**) (resid 29 and name HB*) 3.900 2.100 2.100
assign (resid 41 and name HA) (resid 41 and name HD**) 2.900 1.100 1.100
assign (resid 53 and name HG**) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 40 and name HB*) (resid 40 and name HA) 2.900 1.100 1.100
assign (resid 6 and name HB*) (resid 6 and name HA) 2.300 0.500 0.500
assign ((resid 34 and name HG2*) or (resid 31 and name HG2*))
(resid 35 and name HA)
3.400 1.600 1.600
!assign (resid 38 and name HB)
! ((resid 37 and name HA) or (resid 41 and name HA))
! 3.900 2.100 2.100 ! incr to 6.0 after round 5. (79 viol avg 0.420)
assign (resid 24 and name HA) (resid 25 and name HN) 2.900 1.100 1.100
assign (resid 35 and name HA) (resid 35 and name HB*) 2.900 1.100 1.100
assign (resid 9 and name HB*) (resid 9 and name HN) 2.900 1.100 1.100
assign (resid 37 and name HN) (resid 37 and name HG) 2.900 1.100 1.100
assign (resid 16 and name HB*) (resid 16 and name HA) 2.300 0.500 0.500
assign (resid 37 and name HB*) (resid 37 and name HD**) 2.900 1.100 1.100
assign (resid 31 and name HN) (resid 31 and name HG1*) 2.900 1.100 1.100
!assign (resid 31 and name HG2*) (resid 29 and name HB*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign (resid 24 and name HB*) (resid 24 and name HD1) 2.900 1.100 1.100
assign (resid 55 and name HG*) (resid 55 and name HD*) 2.900 1.100 1.100
!assign (resid 56 and name HA) (resid 55 and name HD*) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (36 viol avg 0.284)
assign (resid 10 and name HD*) (resid 10 and name HE*) 2.900 1.100 1.100
assign (resid 25 and name HD*) (resid 25 and name HE*) 2.900 1.100 1.100
assign (resid 30 and name HN) (resid 30 and name HG) 2.900 1.100 1.100
assign (resid 40 and name HD**) (resid 40 and name HN) 3.400 1.600 1.600
assign (resid 34 and name HD1*) (resid 34 and name HA) 2.900 1.100 1.100
assign (resid 27 and name HA) (resid 28 and name HN) 2.900 1.100 1.100
assign ((resid 31 and name HN) or (resid 37 and name HN))
(resid 34 and name HA)
2.900 1.100 1.100 ! incr to 5.0 after round 1. (88 viol avg 1.147)
assign (resid 48 and name HB*) (resid 45 and name HA*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (29 viol avg 0.280)
assign (resid 26 and name HA) (resid 26 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (87 viol avg 0.122)
!assign (resid 36 and name HB*) (resid 33 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 11. (55 viol avg 0.109)
assign (resid 43 and name HG2*) (resid 43 and name HB) 2.300 0.500 0.500
assign (resid 14 and name HB*) (resid 14 and name HA) 2.300 0.500 0.500
assign (resid 57 and name HG*) (resid 57 and name HN) 3.400 1.600 1.600
assign (resid 2 and name HA) (resid 2 and name HG*) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HG*) 2.900 1.100 1.100
assign (resid 24 and name HD1) (resid 24 and name HN) 3.400 1.600 1.600
assign (resid 16 and name HB*) (resid 16 and name HN) 2.900 1.100 1.100
assign (resid 43 and name HG2*) (resid 43 and name HN) 2.900 1.100 1.100
assign (resid 35 and name HB*) (resid 35 and name HN) 2.900 1.100 1.100
assign (resid 41 and name HA) (resid 41 and name HG) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 30 and name HG) 2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 39 and name HN) 2.900 1.100 1.100
assign ((resid 31 and name HN) or (resid 36 and name HN))
(resid 33 and name HA)
3.400 1.600 1.600 ! incr to 5.0 after round 3. (64 viol avg 0.579)
assign (resid 37 and name HB*)
((resid 35 and name HN) or (resid 38 and name HN))
2.900 1.100 1.100 ! incr to 5.0 after round 1. (54 viol avg 1.250)
assign (resid 15 and name HB*) (resid 15 and name HN) 2.900 1.100 1.100
assign (resid 3 and name HA) (resid 3 and name HB*) 2.900 1.100 1.100
assign (resid 43 and name HN) (resid 43 and name HA) 2.900 1.100 1.100
assign (resid 57 and name HD*) (resid 57 and name HE*) 2.900 1.100 1.100
assign (resid 38 and name HG**) (resid 39 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HD*) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 31 and name HG1*) (resid 31 and name HB) 3.400 1.600 1.600
assign (resid 43 and name HB)
((resid 45 and name HN) or (resid 46 and name HN))
3.400 1.600 1.600
assign (resid 21 and name HN) (resid 21 and name HB*) 2.900 1.100 1.100
assign (resid 54 and name HB*) (resid 54 and name HD*) 3.400 1.600 1.600
assign (resid 56 and name HA) (resid 56 and name HD*) 2.900 1.100 1.100
!assign (resid 29 and name HB*) (resid 33 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign (resid 40 and name HB*) (resid 40 and name HD**) 2.900 1.100 1.100
assign (resid 20 and name HN) (resid 20 and name HB*) 2.900 1.100 1.100
!assign (resid 48 and name HA) (resid 44 and name HG2*) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (67 viol avg 0.826)
assign (resid 56 and name HE*) (resid 56 and name HD*) 2.900 1.100 1.100
assign (resid 9 and name HB*) (resid 9 and name HA) 2.900 1.100 1.100
assign (resid 55 and name HA) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 32 and name HA) (resid 32 and name HB*) 2.900 1.100 1.100 ! incr to 5.0 after round 1. (82 viol avg 1.275)
assign (resid 50 and name HN) (resid 50 and name HD**) 3.900 2.100 2.100
assign (resid 49 and name HG**) (resid 52 and name HN) 3.400 1.600 1.600
!assign (resid 32 and name HD*) (resid 31 and name HA) 3.400 1.600 1.600
assign (resid 60 and name HB*) (resid 60 and name HA) 2.300 0.500 0.500
assign (resid 59 and name HB*) (resid 59 and name HN) 2.900 1.100 1.100
assign (resid 34 and name HD1*) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 24 and name HZ2) (resid 24 and name HE1) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 4 and name HA*) (resid 5 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HG*) (resid 36 and name HA) 3.400 1.600 1.600
assign ((resid 31 and name HN) or (resid 36 and name HN))
(resid 32 and name HB*)
3.400 1.600 1.600 ! incr to 5.0 after round 5. (74 viol avg 0.350)
assign (resid 36 and name HE*) (resid 40 and name HD**) 3.400 1.600 1.600
assign (resid 40 and name HD**) (resid 40 and name HA) 2.900 1.100 1.100
assign (resid 40 and name HB*) (resid 40 and name HA) 2.900 1.100 1.100
assign (resid 41 and name HN) (resid 44 and name HB) 3.400 1.600 1.600
assign (resid 33 and name HB*) (resid 36 and name HG*) 3.900 2.100 2.100
assign ((resid 12 and name HA*) or (resid 17 and name HB*))
(resid 13 and name HB*)
3.400 1.600 1.600
assign (resid 38 and name HB) (resid 38 and name HG**) 2.900 1.100 1.100
assign (resid 55 and name HA) (resid 54 and name HB*) 3.400 1.600 1.600
assign (resid 64 and name HB*) (resid 64 and name HA) 2.900 1.100 1.100
assign (resid 60 and name HA) (resid 60 and name HD2) 3.400 1.600 1.600
assign (resid 35 and name HE*) (resid 35 and name HD*) 2.900 1.100 1.100
assign (resid 3 and name HA) (resid 3 and name HB*) 2.300 0.500 0.500
assign (resid 33 and name HB*)
((resid 34 and name HB) or (resid 36 and name HE*))
3.400 1.600 1.600 ! incr to 6.0 after round 11. (70 viol avg 0.080)
assign (resid 31 and name HA) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 30 and name HG) 2.300 0.500 0.500
assign (resid 57 and name HD*) (resid 57 and name HB*) 2.900 1.100 1.100
assign (resid 52 and name HG2*) (resid 50 and name HB*) 3.400 1.600 1.600
assign (resid 33 and name HB*) (resid 35 and name HN) 3.400 1.600 1.600
assign (resid 38 and name HG**) (resid 39 and name HA) 3.400 1.600 1.600
assign (resid 50 and name HN) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 38 and name HN) (resid 38 and name HA) 2.900 1.100 1.100
assign (resid 56 and name HD*) (resid 56 and name HB*) 2.900 1.100 1.100
assign (resid 11 and name HE*) (resid 11 and name HD*) 2.900 1.100 1.100
assign (resid 51 and name HD1)
((resid 51 and name HN) or (resid 52 and name HN))
3.900 2.100 2.100 ! incr to 6.0 after round 10. (58 viol avg 0.145)
assign (resid 13 and name HB*) (resid 14 and name HN) 3.400 1.600 1.600
assign (resid 33 and name HB*) (resid 32 and name HB*) 3.400 1.600 1.600
assign (resid 27 and name HB*) (resid 30 and name HD**) 3.900 2.100 2.100
assign (resid 50 and name HB*) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 34 and name HB) (resid 34 and name HG1*) 2.900 1.100 1.100
!assign (resid 27 and name HB*) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 60 and name HB*) (resid 60 and name HA) 2.300 0.500 0.500
assign (resid 34 and name HA) (resid 34 and name HG1*) 3.400 1.600 1.600
assign (resid 48 and name HD**) (resid 48 and name HN) 2.900 1.100 1.100
assign (resid 23 and name HB*) (resid 23 and name HN) 2.900 1.100 1.100
assign (resid 48 and name HD**) (resid 47 and name HA*) 3.400 1.600 1.600
assign (resid 55 and name HB*) (resid 55 and name HN) 2.900 1.100 1.100
assign (resid 57 and name HG*) (resid 57 and name HA) 2.900 1.100 1.100
assign (resid 48 and name HA) (resid 48 and name HD**) 2.900 1.100 1.100
assign ((resid 49 and name HN) or (resid 53 and name HN))
(resid 53 and name HA)
2.900 1.100 1.100
assign (resid 56 and name HE*) (resid 56 and name HD*) 2.900 1.100 1.100
assign (resid 49 and name HG**)
((resid 51 and name HA) or (resid 46 and name HA))
3.400 1.600 1.600
assign ((resid 50 and name HA) or (resid 40 and name HA))
((resid 53 and name HB) or (resid 38 and name HB))
3.400 1.600 1.600 ! incr to 5.0 after round 7. (29 viol avg 0.461)
assign (resid 41 and name HD**) (resid 38 and name HA) 3.400 1.600 1.600
assign (resid 18 and name HG*) (resid 18 and name HB*) 2.300 0.500 0.500
assign (resid 14 and name HN) (resid 13 and name HA) 2.900 1.100 1.100
assign (resid 3 and name HA) (resid 3 and name HG*) 2.900 1.100 1.100
assign (resid 36 and name HG*) (resid 36 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (93 viol avg 0.603)
assign ((resid 35 and name HN) or (resid 38 and name HN))
(resid 34 and name HG2*)
3.400 1.600 1.600 ! incr to 5.0 after round 6. (77 viol avg 0.270)
assign (resid 51 and name HE3) (resid 51 and name HZ3) 3.400 1.600 1.600
assign (resid 24 and name HZ3) (resid 24 and name HE3) 3.400 1.600 1.600
assign (resid 51 and name HB*) (resid 51 and name HA) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HG*) 2.900 1.100 1.100
assign (resid 32 and name HG*) (resid 32 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (100 viol avg 0.561)
assign (resid 56 and name HG*) (resid 56 and name HB*) 2.900 1.100 1.100
assign (resid 21 and name HB*) (resid 22 and name HN) 3.400 1.600 1.600
assign (resid 55 and name HG*) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 50 and name HN) (resid 49 and name HA) 3.400 1.600 1.600
assign (resid 50 and name HG) (resid 50 and name HD**) 2.900 1.100 1.100
assign (resid 18 and name HG*) (resid 18 and name HB*) 2.300 0.500 0.500
assign (resid 50 and name HA) (resid 50 and name HD**) 2.900 1.100 1.100
assign (resid 25 and name HD*) (resid 25 and name HG*) 2.900 1.100 1.100
assign (resid 32 and name HA) (resid 32 and name HB*) 2.900 1.100 1.100
assign (resid 48 and name HA) (resid 51 and name HB*) 3.400 1.600 1.600
assign (resid 21 and name HB*) (resid 21 and name HD*) 2.900 1.100 1.100
assign (resid 23 and name HB*) (resid 23 and name HN) 2.900 1.100 1.100
assign (resid 50 and name HA) (resid 50 and name HD**) 2.900 1.100 1.100
!assign (resid 31 and name HG1*) (resid 35 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (27 viol avg 0.069)
assign (resid 14 and name HB*) (resid 14 and name HA) 2.300 0.500 0.500
assign (resid 25 and name HG*) (resid 25 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 5. (96 viol avg 0.504)
assign (resid 11 and name HA) (resid 12 and name HN) 2.300 0.500 0.500
assign (resid 44 and name HG2*) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 21 and name HD*) (resid 21 and name HE*) 2.900 1.100 1.100
assign (resid 40 and name HG) (resid 40 and name HA) 2.900 1.100 1.100
assign (resid 47 and name HN) (resid 47 and name HA*) 2.900 1.100 1.100
!assign (resid 29 and name HB*) (resid 31 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 13. (44 viol avg 0.184)
assign (resid 34 and name HA) (resid 34 and name HG2*) 2.900 1.100 1.100
!assign (resid 34 and name HD1*) (resid 31 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (94 viol avg 0.776)
!assign (resid 31 and name HD1*) (resid 32 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (97 viol avg 0.668)
assign (resid 18 and name HG*) (resid 18 and name HA) 2.900 1.100 1.100
assign (resid 8 and name HA) (resid 9 and name HN) 3.400 1.600 1.600
assign (resid 36 and name HG*) (resid 39 and name HB*) 3.400 1.600 1.600
assign (resid 29 and name HB*)
((resid 31 and name HB) or (resid 32 and name HG*))
3.400 1.600 1.600 ! incr to 6.0 after round 3. (81 viol avg 0.675)
assign (resid 52 and name HG2*) (resid 49 and name HG**) 2.900 1.100 1.100
assign (resid 10 and name HD*) (resid 10 and name HB*) 3.400 1.600 1.600
assign (resid 29 and name HN) (resid 29 and name HB*) 2.900 1.100 1.100
assign (resid 55 and name HD*) (resid 55 and name HN) 3.400 1.600 1.600
assign (resid 31 and name HG2*) (resid 31 and name HB) 2.900 1.100 1.100
assign (resid 50 and name HB*) (resid 50 and name HD**) 2.900 1.100 1.100
assign ((resid 37 and name HA) or (resid 35 and name HA))
(resid 38 and name HG**)
2.900 1.100 1.100 ! incr to 5.0 after round 6. (57 viol avg 0.363)
assign (resid 3 and name HB*) (resid 3 and name HN) 3.400 1.600 1.600
assign (resid 30 and name HA) (resid 30 and name HG) 2.900 1.100 1.100
assign ((resid 35 and name HE*) or (resid 38 and name HN))
(resid 35 and name HN)
3.900 2.100 2.100
assign (resid 19 and name HB*) (resid 18 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (25 viol avg 0.099)
!assign (resid 49 and name HG**) (resid 51 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 5. (50 viol avg 0.508)
assign (resid 31 and name HG2*) (resid 35 and name HD*) 3.900 2.100 2.100
assign ((resid 38 and name HN) or (resid 35 and name HN))
(resid 36 and name HG*)
3.400 1.600 1.600
assign (resid 53 and name HA) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 18 and name HG*) (resid 18 and name HN) 2.900 1.100 1.100
assign (resid 57 and name HA) (resid 57 and name HB*) 2.900 1.100 1.100
assign (resid 44 and name HB) (resid 44 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HA) (resid 25 and name HB*) 2.900 1.100 1.100
assign (resid 32 and name HA) (resid 35 and name HB*) 2.900 1.100 1.100
assign (resid 30 and name HB*) (resid 31 and name HA) 3.400 1.600 1.600
assign (resid 12 and name HA*) (resid 13 and name HA) 3.400 1.600 1.600
assign (resid 20 and name HG*) (resid 20 and name HB*) 2.300 0.500 0.500
assign (resid 36 and name HG*) (resid 36 and name HE*) 2.900 1.100 1.100 ! incr to 5.0 after round 3. (93 viol avg 0.603)
assign (resid 29 and name HA)
((resid 31 and name HB) or (resid 32 and name HG*))
3.400 1.600 1.600 ! incr to 6.0 after round 3. (67 viol avg 0.614)
assign (resid 41 and name HD**) (resid 41 and name HG) 2.900 1.100 1.100
assign (resid 30 and name HN) (resid 33 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (81 viol avg 0.086)
assign (resid 20 and name HA) (resid 20 and name HB*) 2.300 0.500 0.500
assign (resid 44 and name HG2*) (resid 44 and name HB) 2.900 1.100 1.100
assign (resid 18 and name HG*) (resid 18 and name HB*) 2.300 0.500 0.500
assign (resid 54 and name HB*) (resid 53 and name HG**) 3.400 1.600 1.600
assign (resid 56 and name HA) (resid 56 and name HG*) 2.900 1.100 1.100
assign (resid 51 and name HB*) (resid 50 and name HD**) 3.900 2.100 2.100
!assign (resid 52 and name HG2*) (resid 51 and name HD1) 3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid 16 and name HG*) (resid 16 and name HN) 2.900 1.100 1.100
assign (resid 2 and name HA) (resid 2 and name HB*) 2.900 1.100 1.100
assign (resid 2 and name HA) (resid 3 and name HN) 2.900 1.100 1.100
assign (resid 11 and name HE*) (resid 11 and name HD*) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 32 and name HB*) 3.400 1.600 1.600
assign (resid 21 and name HB*) (resid 21 and name HA) 2.300 0.500 0.500
assign (resid 53 and name HG**) (resid 54 and name HN) 2.900 1.100 1.100
assign (resid 26 and name HA) (resid 26 and name HB*) 2.300 0.500 0.500
assign (resid 53 and name HN) (resid 53 and name HG**) 2.900 1.100 1.100
assign (resid 37 and name HB*)
((resid 36 and name HN) or (resid 37 and name HN))
2.900 1.100 1.100
assign (resid 35 and name HE*) (resid 35 and name HD*) 2.900 1.100 1.100
assign (resid 55 and name HA) (resid 56 and name HN) 3.400 1.600 1.600
assign (resid 63 and name HD2) (resid 63 and name HB*) 3.400 1.600 1.600
assign (resid 48 and name HG) (resid 45 and name HA*) 2.900 1.100 1.100
assign (resid 37 and name HA) (resid 37 and name HG) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 30 and name HN) 3.400 1.600 1.600
assign (resid 35 and name HA) (resid 35 and name HB*) 2.900 1.100 1.100
assign (resid 6 and name HB*) (resid 6 and name HN) 2.900 1.100 1.100
assign (resid 31 and name HA) (resid 31 and name HB) 3.400 1.600 1.600
!assign (resid 30 and name HD**) (resid 32 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 2. (72 viol avg 1.148)
assign (resid 39 and name HD*) (resid 38 and name HG**) 3.900 2.100 2.100
assign (resid 1 and name HB*) (resid 1 and name HA) 2.900 1.100 1.100
assign (resid 61 and name HB*) (resid 61 and name HD2) 2.900 1.100 1.100
!assign (resid 31 and name HG1*) (resid 33 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 2.031)
assign (resid 56 and name HN) (resid 56 and name HB*) 3.400 1.600 1.600
assign (resid 61 and name HB*) (resid 61 and name HA) 2.300 0.500 0.500
!assign (resid 29 and name HB*) (resid 31 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 13. (44 viol avg 0.184)
assign (resid 22 and name HN) (resid 22 and name HA) 2.900 1.100 1.100
assign (resid 42 and name HN) (resid 42 and name HA*) 2.900 1.100 1.100
assign (resid 53 and name HN) (resid 53 and name HG**) 2.900 1.100 1.100
assign (resid 32 and name HA) (resid 32 and name HB*) 2.900 1.100 1.100
assign (resid 17 and name HN) (resid 17 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 15. (38 viol avg 0.059)
assign (resid 44 and name HG2*) (resid 41 and name HG) 3.400 1.600 1.600
assign (resid 48 and name HG) (resid 48 and name HD**) 2.900 1.100 1.100
assign (resid 40 and name HB*) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HG*) (resid 25 and name HE*) 2.900 1.100 1.100
assign (resid 41 and name HD**) (resid 42 and name HA*) 3.400 1.600 1.600
assign (resid 31 and name HD1*) (resid 31 and name HB) 2.900 1.100 1.100
assign (resid 60 and name HB*) (resid 60 and name HD2) 2.900 1.100 1.100
assign (resid 52 and name HG2*) (resid 53 and name HA) 3.400 1.600 1.600
assign (resid 33 and name HB*) (resid 36 and name HG*) 3.900 2.100 2.100
assign (resid 54 and name HD*) (resid 50 and name HD**) 3.900 2.100 2.100
assign (resid 48 and name HD**) (resid 48 and name HB*) 2.900 1.100 1.100
assign (resid 36 and name HE*) (resid 33 and name HB*) 3.900 2.100 2.100
assign (resid 63 and name HB*) (resid 63 and name HN) 2.900 1.100 1.100
assign ((resid 35 and name HA) or (resid 37 and name HA))
(resid 35 and name HE*)
3.400 1.600 1.600
assign (resid 64 and name HB*) (resid 64 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HG*) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 27 and name HB*) (resid 30 and name HD**) 3.400 1.600 1.600
assign (resid 41 and name HA) (resid 41 and name HD**) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 33 and name HN) 3.900 2.100 2.100
assign (resid 18 and name HB*) (resid 18 and name HA) 2.900 1.100 1.100
assign (resid 26 and name HB*) (resid 26 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HA) (resid 55 and name HN) 3.400 1.600 1.600
!assign (resid 44 and name HG2*) (resid 44 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 5. (62 viol avg 0.330)
assign (resid 16 and name HG*) (resid 16 and name HB*) 2.300 0.500 0.500
assign (resid 11 and name HB*) (resid 11 and name HE*) 3.400 1.600 1.600
assign (resid 33 and name HB*) (resid 34 and name HG2*) 3.400 1.600 1.600
assign (resid 31 and name HN) (resid 31 and name HB) 2.900 1.100 1.100
assign (resid 55 and name HB*) (resid 55 and name HH**) 3.400 1.600 1.600
!assign (resid 30 and name HD**) (resid 31 and name HG1*) 2.900 1.100 1.100 ! incr to 4.0 after round 14. (39 viol avg 0.130)
assign (resid 60 and name HB*) (resid 60 and name HN) 2.900 1.100 1.100
assign (resid 16 and name HA) (resid 16 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (51 viol avg 0.123)
assign (resid 57 and name HG*) (resid 57 and name HE*) 2.900 1.100 1.100
!assign (resid 31 and name HG1*) (resid 35 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 2.051)
assign (resid 7 and name HA) (resid 7 and name HN) 3.400 1.600 1.600
assign (resid 7 and name HB*) (resid 7 and name HA) 2.900 1.100 1.100
assign (resid 41 and name HA) (resid 41 and name HD**) 2.900 1.100 1.100
assign (resid 37 and name HB*) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 48 and name HA) (resid 48 and name HD**) 3.400 1.600 1.600
assign (resid 58 and name HA*) (resid 58 and name HN) 2.900 1.100 1.100
assign ((resid 29 and name HA) or (resid 32 and name HA) or (resid 36 and name HA))
((resid 31 and name HG2*) or (resid 34 and name HG2*))
3.400 1.600 1.600 ! incr to 6.0 after round 2. (75 viol avg 1.234)
assign (resid 36 and name HN) (resid 36 and name HG*) 2.900 1.100 1.100
assign (resid 61 and name HB*) (resid 61 and name HD2) 2.900 1.100 1.100
assign (resid 21 and name HB*) (resid 21 and name HD*) 3.400 1.600 1.600
assign (resid 30 and name HN) (resid 30 and name HB*) 2.900 1.100 1.100
assign (resid 55 and name HD*) (resid 55 and name HH**) 2.900 1.100 1.100
assign (resid 46 and name HA) (resid 49 and name HB) 3.400 1.600 1.600
assign (resid 55 and name HG*) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 57 and name HG*) (resid 53 and name HG**) 2.900 1.100 1.100
assign (resid 33 and name HB*)
((resid 31 and name HN) or (resid 36 and name HN) or (resid 37 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (50 viol avg 0.077)
assign (resid 41 and name HB*) (resid 41 and name HG) 2.900 1.100 1.100
assign (resid 19 and name HB*)
((resid 18 and name HA) or (resid 16 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (66 viol avg 0.488)
assign (resid 38 and name HG**) (resid 35 and name HA) 3.400 1.600 1.600
!assign (resid 36 and name HE*) (resid 37 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (45 viol avg 0.254)
assign (resid 43 and name HB) (resid 43 and name HA) 2.300 0.500 0.500
assign (resid 10 and name HB*) (resid 10 and name HN) 2.300 0.500 0.500
assign (resid 34 and name HG2*) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 27 and name HA) (resid 27 and name HB*) 2.300 0.500 0.500
assign (resid 38 and name HB) (resid 39 and name HB*) 2.900 1.100 1.100
assign (resid 17 and name HN) (resid 16 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (82 viol avg 0.306)
assign (resid 31 and name HD1*) (resid 35 and name HN) 3.900 2.100 2.100
assign (resid 43 and name HG2*) (resid 39 and name HD*) 3.400 1.600 1.600
assign (resid 11 and name HB*) (resid 11 and name HD*) 3.400 1.600 1.600
assign (resid 41 and name HD**) (resid 41 and name HB*) 2.900 1.100 1.100
assign ((resid 32 and name HG*) or (resid 38 and name HB)or (resid 31 and name HB))
(resid 35 and name HE*)
3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid 11 and name HA) (resid 11 and name HD*) 3.400 1.600 1.600
assign (resid 60 and name HB*) (resid 60 and name HD2) 2.900 1.100 1.100
assign (resid 55 and name HD*) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 46 and name HA) 2.900 1.100 1.100
assign (resid 34 and name HB) (resid 34 and name HG2*) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 40 and name HA) 3.400 1.600 1.600
assign (resid 31 and name HN) (resid 31 and name HD1*) 3.400 1.600 1.600
assign (resid 43 and name HG2*) (resid 41 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (86 viol avg 0.387)
assign (resid 32 and name HA) (resid 32 and name HB*) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 50 and name HA) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 49 and name HA) 2.900 1.100 1.100
!assign (resid 29 and name HA) (resid 31 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (93 viol avg 0.588)
!assign (resid 36 and name HB*) (resid 35 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (38 viol avg 0.244)
assign (resid 53 and name HG**)
((resid 56 and name HB*) or (resid 57 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (38 viol avg 0.196)
assign (resid 31 and name HG2*) (resid 31 and name HG1*) 2.300 0.500 0.500
assign (resid 40 and name HA) (resid 44 and name HN) 3.400 1.600 1.600
assign (resid 38 and name HA) (resid 41 and name HG) 2.900 1.100 1.100
!assign (resid 33 and name HB*) (resid 31 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 6. (62 viol avg 0.236)
assign (resid 33 and name HB*) (resid 33 and name HA) 2.900 1.100 1.100
assign (resid 57 and name HG*) (resid 57 and name HB*) 2.900 1.100 1.100
assign (resid 40 and name HG) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 51 and name HE3) (resid 51 and name HZ3) 3.400 1.600 1.600
assign (resid 11 and name HA) (resid 11 and name HN) 2.900 1.100 1.100
assign (resid 31 and name HA) (resid 34 and name HB) 3.900 2.100 2.100 ! incr to 6.0 after round 13. (33 viol avg 0.118)
assign (resid 52 and name HG2*) (resid 53 and name HG**) 2.900 1.100 1.100
assign (resid 31 and name HA) (resid 31 and name HB) 2.900 1.100 1.100
assign (resid 22 and name HB) (resid 23 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (71 viol avg 0.080)
assign (resid 20 and name HA) (resid 19 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (54 viol avg 0.576)
assign (resid 1 and name HA) (resid 1 and name HG*) 3.400 1.600 1.600
!assign (resid 33 and name HB*) (resid 35 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign (resid 44 and name HG2*)
((resid 45 and name HN) or (resid 46 and name HN))
3.400 1.600 1.600
assign (resid 6 and name HB*) (resid 6 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HG*) (resid 25 and name HE*) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HN) 2.900 1.100 1.100
assign (resid 56 and name HA) (resid 56 and name HB*) 2.900 1.100 1.100
assign (resid 15 and name HB*) (resid 15 and name HA) 2.300 0.500 0.500
!assign (resid 36 and name HE*) (resid 39 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 1. (51 viol avg 1.253)
assign (resid 44 and name HN) (resid 44 and name HA) 2.900 1.100 1.100
!assign (resid 55 and name HG*) (resid 53 and name HG**) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (70 viol avg 2.209)
assign (resid 53 and name HG**)
((resid 54 and name HD*) or (resid 51 and name HH2))
3.400 1.600 1.600
assign (resid 38 and name HG**) (resid 35 and name HD*) 3.900 2.100 2.100
!assign (resid 33 and name HB*) (resid 31 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (99 viol avg 0.759)
assign (resid 55 and name HG*) (resid 55 and name HA) 2.900 1.100 1.100
assign (resid 53 and name HG**) (resid 57 and name HE*) 3.400 1.600 1.600
assign (resid 9 and name HB*) (resid 9 and name HD2*) 3.400 1.600 1.600
assign (resid 37 and name HB*) (resid 37 and name HA) 2.900 1.100 1.100
assign (resid 52 and name HG2*) (resid 53 and name HB) 3.900 2.100 2.100
assign (resid 64 and name HB*) (resid 64 and name HD2) 2.900 1.100 1.100
assign (resid 51 and name HN) (resid 51 and name HB*) 3.400 1.600 1.600
!assign (resid 34 and name HD1*) (resid 33 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 17. (31 viol avg 0.207)
!assign (resid 31 and name HG1*) (resid 30 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (76 viol avg 0.155)
assign (resid 53 and name HG**) (resid 50 and name HB*) 2.900 1.100 1.100
assign (resid 8 and name HB*) (resid 8 and name HN) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 30 and name HA) 2.900 1.100 1.100
!assign (resid 36 and name HG*) (resid 35 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (26 viol avg 0.232)
assign (resid 51 and name HB*) (resid 51 and name HA) 3.400 1.600 1.600
assign (resid 1 and name HB*) (resid 3 and name HA) 3.400 1.600 1.600
assign (resid 57 and name HD*) (resid 57 and name HA) 2.900 1.100 1.100
assign (resid 24 and name HZ3) (resid 24 and name HE3) 3.400 1.600 1.600
assign (resid 23 and name HB*) (resid 22 and name HA) 3.400 1.600 1.600
assign (resid 21 and name HB*) (resid 21 and name HA) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 50 and name HB*) 2.900 1.100 1.100
assign (resid 18 and name HB*) (resid 18 and name HN) 2.900 1.100 1.100
assign (resid 34 and name HB) (resid 34 and name HA) 2.900 1.100 1.100
assign (resid 31 and name HG1*) (resid 31 and name HD1*) 2.900 1.100 1.100
!assign (resid 56 and name HD*) (resid 55 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (50 viol avg 0.110)
assign (resid 32 and name HG*) (resid 32 and name HA) 2.900 1.100 1.100
assign (resid 45 and name HN) (resid 44 and name HA) 2.900 1.100 1.100
!assign (resid 44 and name HG2*) (resid 42 and name HA*) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (61 viol avg 0.196)
assign (resid 41 and name HD**) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 59 and name HB*) (resid 59 and name HD2) 2.900 1.100 1.100
assign (resid 27 and name HA) (resid 27 and name HB*) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 49 and name HN) 2.900 1.100 1.100
assign (resid 40 and name HB*) (resid 41 and name HN) 2.900 1.100 1.100
assign (resid 20 and name HN) (resid 19 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (67 viol avg 0.096)
assign (resid 43 and name HG2*) (resid 40 and name HG) 3.400 1.600 1.600
assign (resid 11 and name HA) (resid 11 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 7. (39 viol avg 0.407)
assign (resid 28 and name HN) (resid 28 and name HA*) 2.300 0.500 0.500
assign (resid 20 and name HG*) (resid 20 and name HA) 2.900 1.100 1.100
assign (resid 39 and name HD*) (resid 39 and name HB*) 3.400 1.600 1.600
assign (resid 49 and name HA) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 59 and name HB*) (resid 59 and name HD2) 2.900 1.100 1.100
assign (resid 50 and name HA) (resid 50 and name HG) 2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 38 and name HG**) 3.400 1.600 1.600
assign (resid 30 and name HD**) (resid 30 and name HA) 2.900 1.100 1.100
assign (resid 24 and name HA) (resid 24 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 14. (25 viol avg 0.096)
assign (resid 38 and name HB) (resid 38 and name HG**) 2.900 1.100 1.100
assign ((resid 50 and name HN) or (resid 56 and name HN))
(resid 53 and name HG**)
3.900 2.100 2.100
assign (resid 27 and name HA) (resid 27 and name HN) 2.900 1.100 1.100
assign (resid 29 and name HA) (resid 29 and name HB*) 2.900 1.100 1.100
assign (resid 14 and name HB*) (resid 14 and name HN) 2.900 1.100 1.100
!assign (resid 49 and name HG**) (resid 51 and name HZ3) 3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid 31 and name HG2*) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 11 and name HA) (resid 11 and name HB*) 2.900 1.100 1.100
assign (resid 58 and name HA*) (resid 59 and name HB*) 2.900 1.100 1.100
assign ((resid 41 and name HD**) or (resid 48 and name HD**) or (resid 40 and name HD**))
(resid 44 and name HB)
3.900 2.100 2.100
assign (resid 52 and name HG2*) (resid 52 and name HA) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HG*) 2.900 1.100 1.100
assign (resid 57 and name HG*) (resid 53 and name HG**) 2.900 1.100 1.100
assign (resid 32 and name HG*) (resid 32 and name HA) 2.900 1.100 1.100
assign (resid 53 and name HA)
((resid 50 and name HB*) or (resid 56 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (82 viol avg 0.639)
assign (resid 35 and name HB*) (resid 35 and name HD*) 3.400 1.600 1.600
assign (resid 40 and name HB*) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 26 and name HA) 3.400 1.600 1.600
!assign (resid 40 and name HG) (resid 36 and name HG*) 3.900 2.100 2.100 ! incr to 6.0 after round 6. (82 viol avg 0.332)
assign ((resid 27 and name HB*) or (resid 26 and name HB*))
(resid 28 and name HN)
2.900 1.100 1.100
assign (resid 22 and name HG2*) (resid 22 and name HA) 2.300 0.500 0.500
assign (resid 53 and name HN) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 41 and name HD**) (resid 41 and name HG) 2.900 1.100 1.100
assign (resid 56 and name HA) (resid 56 and name HB*) 2.900 1.100 1.100
assign (resid 48 and name HN) (resid 48 and name HB*) 2.900 1.100 1.100
assign (resid 12 and name HA*)
((resid 13 and name HN) or (resid 11 and name HN))
2.900 1.100 1.100
assign (resid 53 and name HG**) (resid 51 and name HA) 3.900 2.100 2.100
assign (resid 54 and name HB*) (resid 53 and name HG**) 3.400 1.600 1.600
assign (resid 56 and name HA) (resid 56 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 6. (65 viol avg 0.244)
assign (resid 52 and name HB) (resid 52 and name HG2*) 2.300 0.500 0.500
assign (resid 25 and name HE*) (resid 25 and name HA) 3.900 2.100 2.100
assign (resid 48 and name HG) (resid 48 and name HN) 2.900 1.100 1.100
assign (resid 37 and name HD**) (resid 37 and name HG) 2.900 1.100 1.100
assign (resid 14 and name HB*) (resid 14 and name HN) 2.900 1.100 1.100
assign (resid 16 and name HG*) (resid 16 and name HA) 2.900 1.100 1.100
assign (resid 53 and name HG**) (resid 53 and name HA) 2.900 1.100 1.100
assign (resid 24 and name HA) (resid 24 and name HD1) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (63 viol avg 0.076)
assign (resid 10 and name HD*) (resid 10 and name HB*) 2.900 1.100 1.100
assign (resid 34 and name HN) (resid 34 and name HG2*) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 29 and name HB*) 3.400 1.600 1.600
assign (resid 34 and name HB) (resid 34 and name HA) 3.400 1.600 1.600
assign (resid 39 and name HD*) (resid 40 and name HD**) 3.900 2.100 2.100
assign (resid 24 and name HB*) (resid 24 and name HD1) 2.900 1.100 1.100
assign (resid 22 and name HA) (resid 23 and name HA) 3.400 1.600 1.600
assign (resid 44 and name HG2*) (resid 44 and name HA) 2.900 1.100 1.100
assign (resid 55 and name HB*) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 3 and name HG*) (resid 2 and name HN) 3.900 2.100 2.100
assign (resid 53 and name HG**) (resid 54 and name HD*) 3.900 2.100 2.100
assign (resid 35 and name HA) (resid 35 and name HD*) 3.400 1.600 1.600
assign (resid 31 and name HG1*) (resid 31 and name HD1*) 2.900 1.100 1.100
assign (resid 50 and name HG) (resid 50 and name HD**) 2.900 1.100 1.100
assign (resid 16 and name HB*) (resid 16 and name HA) 2.900 1.100 1.100
assign (resid 36 and name HG*) (resid 35 and name HN) 3.400 1.600 1.600
assign (resid 41 and name HD**) (resid 41 and name HB*) 2.900 1.100 1.100
assign (resid 9 and name HB*) (resid 9 and name HD2*) 2.900 1.100 1.100
assign (resid 38 and name HG**) (resid 42 and name HA*) 3.400 1.600 1.600
assign (resid 37 and name HA) (resid 37 and name HG) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 46 and name HD2*) 3.900 2.100 2.100
assign (resid 39 and name HD*) (resid 39 and name HA) 3.400 1.600 1.600
assign (resid 34 and name HN) (resid 33 and name HA) 2.900 1.100 1.100
assign (resid 54 and name HA) (resid 54 and name HD*) 3.900 2.100 2.100
assign (resid 56 and name HA) (resid 57 and name HN) 2.900 1.100 1.100
assign (resid 10 and name HD*) (resid 10 and name HE*) 2.300 0.500 0.500
assign (resid 57 and name HA) (resid 57 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (52 viol avg 0.268)
assign (resid 57 and name HG*) (resid 58 and name HN) 3.400 1.600 1.600
assign (resid 50 and name HB*) (resid 51 and name HN) 3.400 1.600 1.600
assign (resid 27 and name HA)
((resid 30 and name HN) or (resid 29 and name HN))
3.400 1.600 1.600
assign (resid 21 and name HN) (resid 20 and name HB*) 2.900 1.100 1.100
!assign (resid 31 and name HG2*) (resid 29 and name HB*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign (resid 33 and name HB*)
((resid 36 and name HA) or (resid 32 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 2.555)
assign (resid 3 and name HA) (resid 3 and name HB*) 2.300 0.500 0.500
assign (resid 9 and name HB*) (resid 9 and name HA) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 48 and name HG) 2.900 1.100 1.100
assign ((resid 32 and name HB*) or (resid 37 and name HB*) or (resid 34 and name HG1*))
(resid 36 and name HG*)
3.400 1.600 1.600 ! incr to 6.0 after round 10. (78 viol avg 0.141)
assign (resid 29 and name HA) (resid 29 and name HB*) 2.900 1.100 1.100
assign (resid 48 and name HG) (resid 48 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (71 viol avg 0.605)
assign (resid 31 and name HG2*) (resid 35 and name HB*) 3.400 1.600 1.600
assign (resid 56 and name HG*) (resid 56 and name HB*) 2.900 1.100 1.100
assign (resid 22 and name HG2*) (resid 22 and name HA) 2.900 1.100 1.100
assign (resid 51 and name HH2) (resid 51 and name HZ2) 2.900 1.100 1.100
assign (resid 24 and name HA) (resid 24 and name HB*) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 41 and name HG) 3.400 1.600 1.600
assign (resid 55 and name HB*) (resid 55 and name HE) 3.400 1.600 1.600
assign (resid 55 and name HB*) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 34 and name HA) (resid 34 and name HG2*) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 49 and name HA) 2.900 1.100 1.100
assign (resid 3 and name HA) (resid 3 and name HB*) 2.300 0.500 0.500
assign (resid 9 and name HB*) (resid 9 and name HN) 2.900 1.100 1.100
!assign (resid 51 and name HD1) (resid 48 and name HD**) 3.900 2.100 2.100 ! incr to 6.0 after round 7. (25 viol avg 0.389)
assign (resid 9 and name HB*) (resid 9 and name HA) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 49 and name HA) 2.900 1.100 1.100
assign (resid 59 and name HB*) (resid 59 and name HA) 2.300 0.500 0.500
assign (resid 7 and name HB*) (resid 7 and name HN) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 32 and name HG*) 2.900 1.100 1.100
assign (resid 25 and name HG*) (resid 25 and name HA) 2.900 1.100 1.100
assign (resid 12 and name HN) (resid 12 and name HA*) 2.900 1.100 1.100
assign ((resid 38 and name HG**) or (resid 31 and name HG2*))
(resid 35 and name HB*)
3.400 1.600 1.600 ! incr to 6.0 after round 4. (51 viol avg 0.540)
assign (resid 13 and name HB*) (resid 13 and name HN) 2.900 1.100 1.100
assign (resid 10 and name HA) (resid 10 and name HB*) 2.300 0.500 0.500
assign (resid 32 and name HD*) (resid 31 and name HD1*) 3.400 1.600 1.600
assign (resid 9 and name HB*) (resid 9 and name HA) 2.900 1.100 1.100
assign (resid 52 and name HA) (resid 55 and name HB*) 2.900 1.100 1.100
assign (resid 16 and name HB*) (resid 16 and name HA) 2.300 0.500 0.500
assign (resid 54 and name HB*) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 48 and name HA) (resid 48 and name HD**) 3.400 1.600 1.600
assign (resid 33 and name HB*) (resid 33 and name HN) 2.900 1.100 1.100
assign (resid 35 and name HA) (resid 35 and name HN) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 45 and name HA*) 3.400 1.600 1.600
assign (resid 50 and name HB*) (resid 50 and name HG) 2.900 1.100 1.100
assign (resid 52 and name HG2*) (resid 52 and name HN) 2.900 1.100 1.100
assign ((resid 52 and name HA) or (resid 47 and name HA*))
(resid 51 and name HB*)
3.400 1.600 1.600
assign ((resid 50 and name HN) or (resid 56 and name HN))
(resid 53 and name HB)
3.900 2.100 2.100 ! incr to 6.0 after round 5. (73 viol avg 0.484)
assign (resid 43 and name HG2*) (resid 46 and name HD2*) 3.900 2.100 2.100
assign (resid 54 and name HN) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 30 and name HA) (resid 30 and name HG) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 37 and name HD**) (resid 34 and name HA) 3.400 1.600 1.600
assign (resid 27 and name HA) (resid 27 and name HB*) 2.900 1.100 1.100
assign (resid 21 and name HD*) (resid 21 and name HA) 3.400 1.600 1.600
assign (resid 43 and name HG2*) (resid 39 and name HB*) 3.900 2.100 2.100
assign (resid 54 and name HB*) (resid 50 and name HD**) 3.400 1.600 1.600
assign (resid 55 and name HG*) (resid 56 and name HA) 2.900 1.100 1.100
assign (resid 57 and name HG*) (resid 57 and name HB*) 2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 39 and name HN) 3.400 1.600 1.600
assign (resid 33 and name HB*) (resid 32 and name HB*) 3.400 1.600 1.600
assign (resid 17 and name HB*) (resid 17 and name HA) 2.300 0.500 0.500
assign (resid 60 and name HB*) (resid 60 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HG*) (resid 35 and name HD*) 3.900 2.100 2.100
assign (resid 11 and name HB*) (resid 11 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 13. (32 viol avg 0.083)
assign (resid 3 and name HB*) (resid 3 and name HG*) 2.300 0.500 0.500
assign (resid 54 and name HB*) (resid 54 and name HA) 2.900 1.100 1.100
assign (resid 31 and name HG1*) (resid 31 and name HD1*) 2.900 1.100 1.100
!assign (resid 46 and name HA) (resid 44 and name HG2*) 3.900 2.100 2.100 ! incr to 6.0 after round 12. (26 viol avg 0.116)
assign (resid 11 and name HB*) (resid 11 and name HN) 2.900 1.100 1.100
assign (resid 15 and name HB*) (resid 15 and name HN) 2.900 1.100 1.100
assign (resid 2 and name HA) (resid 2 and name HB*) 2.300 0.500 0.500
assign (resid 57 and name HG*) (resid 57 and name HA) 3.400 1.600 1.600
assign (resid 48 and name HD**) (resid 48 and name HB*) 2.300 0.500 0.500
assign (resid 53 and name HG**) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 54 and name HA) (resid 57 and name HN) 3.400 1.600 1.600
!assign (resid 31 and name HG1*) (resid 35 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (27 viol avg 0.069)
assign (resid 31 and name HN) (resid 29 and name HB*) 3.400 1.600 1.600
!assign (resid 36 and name HG*) (resid 35 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (26 viol avg 0.232)
assign (resid 16 and name HG*) (resid 16 and name HA) 2.900 1.100 1.100
assign (resid 50 and name HN) (resid 50 and name HD**) 3.900 2.100 2.100
assign (resid 55 and name HA) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 39 and name HD*) (resid 39 and name HB*) 3.900 2.100 2.100
assign (resid 53 and name HG**) (resid 53 and name HB) 2.300 0.500 0.500
assign (resid 46 and name HB*) (resid 44 and name HG2*) 3.400 1.600 1.600
assign (resid 31 and name HA) (resid 31 and name HG2*) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 33 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 14. (44 viol avg 0.091)
assign (resid 18 and name HA) (resid 18 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (67 viol avg 0.097)
assign (resid 32 and name HG*) (resid 32 and name HA) 2.900 1.100 1.100
!assign (resid 44 and name HG2*) (resid 47 and name HA*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (25 viol avg 0.105)
assign (resid 50 and name HN) (resid 50 and name HA) 3.400 1.600 1.600
assign (resid 33 and name HN) (resid 32 and name HA) 3.400 1.600 1.600
assign (resid 11 and name HA) (resid 11 and name HB*) 2.300 0.500 0.500
assign (resid 32 and name HD*) (resid 32 and name HG*) 2.900 1.100 1.100
assign (resid 34 and name HN) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 41 and name HD**) (resid 41 and name HG) 2.900 1.100 1.100
assign (resid 34 and name HA) (resid 34 and name HG1*) 3.400 1.600 1.600
assign (resid 34 and name HB) (resid 34 and name HG1*) 3.400 1.600 1.600
assign (resid 41 and name HB*) (resid 38 and name HA) 3.400 1.600 1.600
assign (resid 55 and name HG*) (resid 55 and name HA) 2.900 1.100 1.100
assign (resid 20 and name HG*) (resid 20 and name HA) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 32 and name HG*) 2.900 1.100 1.100
assign (resid 49 and name HA) (resid 48 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (51 viol avg 0.500)
assign (resid 56 and name HA) (resid 56 and name HG*) 3.400 1.600 1.600
assign (resid 27 and name HA) (resid 30 and name HD**) 3.400 1.600 1.600
assign (resid 13 and name HB*) (resid 13 and name HA) 2.900 1.100 1.100
assign (resid 27 and name HB*) (resid 31 and name HB) 3.900 2.100 2.100 ! incr to 6.0 after round 5. (72 viol avg 0.390)
assign (resid 56 and name HG*) (resid 56 and name HD*) 2.300 0.500 0.500
assign (resid 17 and name HB*) (resid 17 and name HA) 2.300 0.500 0.500
assign (resid 36 and name HB*) (resid 37 and name HA) 3.400 1.600 1.600
assign (resid 38 and name HG**) (resid 38 and name HA) 2.900 1.100 1.100
assign (resid 54 and name HB*) (resid 54 and name HN) 2.900 1.100 1.100
assign (resid 19 and name HA) (resid 19 and name HB*) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HG*) 2.300 0.500 0.500
assign (resid 52 and name HB) (resid 52 and name HA) 2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 39 and name HA) 2.900 1.100 1.100
assign (resid 7 and name HB*) (resid 7 and name HN) 2.900 1.100 1.100
assign (resid 41 and name HA) (resid 41 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HG*) 2.300 0.500 0.500
!assign (resid 30 and name HB*) (resid 34 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 11. (77 viol avg 0.134)
assign (resid 40 and name HD**) (resid 40 and name HN) 3.400 1.600 1.600
assign (resid 51 and name HZ3) (resid 51 and name HH2) 3.400 1.600 1.600
assign (resid 31 and name HD1*) (resid 35 and name HB*) 3.900 2.100 2.100
assign (resid 61 and name HB*) (resid 61 and name HN) 2.900 1.100 1.100
assign (resid 8 and name HA) (resid 8 and name HN) 3.400 1.600 1.600
assign (resid 30 and name HD**) (resid 30 and name HA) 2.900 1.100 1.100
assign (resid 10 and name HA) (resid 10 and name HB*) 2.300 0.500 0.500
assign (resid 55 and name HD*) (resid 55 and name HN) 3.400 1.600 1.600
assign (resid 21 and name HN) (resid 21 and name HD*) 3.900 2.100 2.100
assign (resid 16 and name HB*) (resid 16 and name HN) 2.300 0.500 0.500
assign (resid 49 and name HG**) (resid 49 and name HA) 2.900 1.100 1.100
assign (resid 39 and name HD*) (resid 39 and name HB*) 3.400 1.600 1.600
assign (resid 39 and name HB*) (resid 38 and name HG**) 3.900 2.100 2.100
assign (resid 51 and name HZ3) (resid 51 and name HH2) 2.900 1.100 1.100
assign (resid 21 and name HB*) (resid 21 and name HD*) 2.900 1.100 1.100
assign ((resid 31 and name HN) or (resid 36 and name HN))
(resid 35 and name HB*)
2.900 1.100 1.100 ! incr to 5.0 after round 3. (54 viol avg 0.533)
assign (resid 39 and name HB*) (resid 38 and name HG**) 3.900 2.100 2.100
assign (resid 34 and name HB) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 32 and name HB*) 2.900 1.100 1.100 ! incr to 5.0 after round 11. (92 viol avg 0.195)
assign (resid 24 and name HA) (resid 24 and name HD1) 3.400 1.600 1.600
!assign (resid 53 and name HA) (resid 50 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (82 viol avg 0.639)
assign (resid 64 and name HB*) (resid 64 and name HD2) 3.400 1.600 1.600
assign (resid 46 and name HB*) (resid 46 and name HD2*) 2.900 1.100 1.100
assign (resid 21 and name HN) (resid 21 and name HB*) 2.900 1.100 1.100
assign (resid 20 and name HG*) (resid 20 and name HB*) 2.300 0.500 0.500
assign (resid 39 and name HB*) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 24 and name HB*) (resid 24 and name HN) 2.900 1.100 1.100
assign (resid 20 and name HA) (resid 20 and name HB*) 2.300 0.500 0.500
assign (resid 50 and name HN) (resid 50 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 17. (25 viol avg 0.103)
assign (resid 31 and name HD1*) (resid 34 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (92 viol avg 0.128)
assign ((resid 31 and name HG2*) or (resid 34 and name HG2*))
(resid 35 and name HE*)
3.400 1.600 1.600
assign (resid 13 and name HA) (resid 13 and name HN) 2.900 1.100 1.100
assign ((resid 46 and name HN) or (resid 42 and name HN))
((resid 40 and name HA) or (resid 50 and name HA))
3.900 2.100 2.100 ! incr to 6.0 after round 1. (93 viol avg 1.670)
assign (resid 43 and name HG2*) (resid 43 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (83 viol avg 0.323)
assign (resid 45 and name HA*) (resid 45 and name HN) 2.300 0.500 0.500
assign (resid 30 and name HD**) (resid 30 and name HB*) 2.900 1.100 1.100
assign (resid 55 and name HG*) (resid 56 and name HA) 2.900 1.100 1.100
assign (resid 31 and name HA) (resid 32 and name HA) 3.400 1.600 1.600
assign (resid 38 and name HN) (resid 38 and name HG**) 2.900 1.100 1.100
assign (resid 21 and name HB*) (resid 21 and name HD*) 3.400 1.600 1.600
assign (resid 53 and name HG**) (resid 50 and name HB*) 2.900 1.100 1.100
assign (resid 10 and name HA) (resid 10 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 13. (26 viol avg 0.070)
assign (resid 46 and name HN) (resid 46 and name HB*) 2.900 1.100 1.100
assign (resid 10 and name HE*) (resid 10 and name HB*) 3.400 1.600 1.600
assign (resid 40 and name HA) (resid 40 and name HN) 3.400 1.600 1.600
assign (resid 15 and name HB*) (resid 15 and name HD2*) 2.900 1.100 1.100
assign (resid 34 and name HG2*) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 38 and name HG**) 3.400 1.600 1.600
assign (resid 53 and name HG**) (resid 50 and name HA) 3.400 1.600 1.600
assign (resid 50 and name HB*) (resid 50 and name HA) 2.900 1.100 1.100
assign (resid 24 and name HH2) (resid 24 and name HZ3) 2.900 1.100 1.100
assign (resid 43 and name HB) (resid 43 and name HN) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 33 and name HN) 3.900 2.100 2.100
assign ((resid 30 and name HD**) or (resid 31 and name HD1*))
(resid 33 and name HB*)
3.400 1.600 1.600
assign (resid 53 and name HA) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 11 and name HB*) (resid 11 and name HD*) 2.900 1.100 1.100
assign (resid 61 and name HB*) (resid 61 and name HN) 2.900 1.100 1.100
assign (resid 18 and name HB*) (resid 18 and name HA) 2.300 0.500 0.500
assign (resid 31 and name HA) (resid 31 and name HD1*) 3.400 1.600 1.600
assign (resid 25 and name HG*) (resid 22 and name HA) 2.900 1.100 1.100
assign (resid 41 and name HD**) (resid 41 and name HB*) 2.900 1.100 1.100
assign (resid 40 and name HD**) (resid 36 and name HG*) 3.400 1.600 1.600
assign (resid 50 and name HB*) (resid 50 and name HD**) 2.900 1.100 1.100
assign (resid 56 and name HN) (resid 56 and name HG*) 3.400 1.600 1.600
assign (resid 54 and name HA) (resid 53 and name HG**) 3.400 1.600 1.600
assign (resid 57 and name HD*) (resid 57 and name HB*) 2.900 1.100 1.100
assign (resid 7 and name HD*) (resid 7 and name HB*) 3.400 1.600 1.600
!assign ((resid 31 and name HA) or (resid 27 and name HB*))
! (resid 29 and name HB*)
! 3.900 2.100 2.100 ! incr to 6.0 after round 9. (52 viol avg 0.188)
assign (resid 55 and name HA) (resid 55 and name HB*) 2.900 1.100 1.100
assign (resid 53 and name HG**) (resid 53 and name HA) 2.900 1.100 1.100
assign (resid 37 and name HA) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 57 and name HG*) (resid 57 and name HE*) 2.900 1.100 1.100
assign (resid 14 and name HB*) (resid 13 and name HN) 2.900 1.100 1.100
assign (resid 51 and name HE1) (resid 51 and name HZ2) 2.900 1.100 1.100
assign ((resid 40 and name HG) or (resid 37 and name HB*) or (resid 32 and name HG*))
(resid 36 and name HG*)
3.900 2.100 2.100 ! incr to 6.0 after round 11. (76 viol avg 0.133)
assign (resid 24 and name HH2) (resid 24 and name HZ2) 2.300 0.500 0.500
assign (resid 44 and name HG2*) (resid 47 and name HA*) 3.900 2.100 2.100
assign (resid 25 and name HN) (resid 25 and name HA) 3.400 1.600 1.600
assign (resid 41 and name HG) (resid 41 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 11. (51 viol avg 0.077)
assign (resid 35 and name HA) (resid 35 and name HD*) 3.400 1.600 1.600
assign (resid 11 and name HB*) (resid 11 and name HE*) 3.400 1.600 1.600
assign (resid 55 and name HD*) (resid 51 and name HZ2) 3.400 1.600 1.600
assign ((resid 38 and name HB) or (resid 31 and name HB))
(resid 35 and name HB*)
3.400 1.600 1.600
assign (resid 48 and name HA) (resid 48 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (69 viol avg 0.117)
assign (resid 23 and name HN) (resid 22 and name HA) 2.900 1.100 1.100
assign (resid 57 and name HB*) (resid 57 and name HN) 3.400 1.600 1.600
assign (resid 51 and name HE1) (resid 55 and name HD*) 3.400 1.600 1.600
assign (resid 45 and name HN) (resid 44 and name HB) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (59 viol avg 0.482)
assign (resid 31 and name HA) (resid 31 and name HN) 2.900 1.100 1.100
assign (resid 11 and name HE*) (resid 10 and name HB*) 3.400 1.600 1.600
assign (resid 34 and name HA) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 55 and name HD*) (resid 51 and name HZ2) 3.400 1.600 1.600
assign (resid 49 and name HN) (resid 49 and name HA) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 44 and name HN) 2.900 1.100 1.100
assign (resid 41 and name HD**) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 58 and name HA*) (resid 58 and name HN) 2.300 0.500 0.500
assign ((resid 19 and name HB*) or (resid 17 and name HN))
(resid 19 and name HN)
2.900 1.100 1.100
assign (resid 38 and name HB) (resid 38 and name HG**) 2.300 0.500 0.500
assign (resid 48 and name HG) (resid 45 and name HA*) 2.900 1.100 1.100
assign (resid 16 and name HB*) (resid 16 and name HA) 2.300 0.500 0.500
assign (resid 54 and name HA) (resid 54 and name HD*) 3.400 1.600 1.600
assign (resid 40 and name HD**) (resid 40 and name HA) 2.900 1.100 1.100
assign (resid 31 and name HA) (resid 35 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 13
assign (resid 57 and name HA) (resid 57 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HB*) (resid 22 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 6. (53 viol avg 0.294)
assign (resid 40 and name HD**) (resid 36 and name HG*) 3.400 1.600 1.600
assign (resid 56 and name HD*) (resid 56 and name HB*) 2.900 1.100 1.100
assign ((resid 44 and name HG2*) or (resid 52 and name HG2*))
((resid 55 and name HD*) or (resid 46 and name HB*))
3.900 2.100 2.100 ! incr to 6.0 after round 10. (64 viol avg 0.174)
assign (resid 53 and name HG**) (resid 53 and name HA) 2.900 1.100 1.100
assign (resid 40 and name HB*) (resid 44 and name HG2*) 3.400 1.600 1.600
assign (resid 31 and name HG2*) (resid 31 and name HB) 3.400 1.600 1.600
assign (resid 18 and name HB*) (resid 18 and name HN) 2.300 0.500 0.500
assign (resid 36 and name HN) (resid 36 and name HG*) 2.900 1.100 1.100
assign (resid 16 and name HB*) (resid 13 and name HB*) 3.900 2.100 2.100
assign (resid 40 and name HB*) (resid 40 and name HA) 2.900 1.100 1.100
assign (resid 24 and name HB*) (resid 24 and name HN) 2.900 1.100 1.100
assign ((resid 37 and name HB*) or (resid 30 and name HB*))
(resid 33 and name HB*)
3.400 1.600 1.600 ! incr to 5.0 after round 11. (57 viol avg 0.106)
assign (resid 3 and name HA) (resid 4 and name HN) 2.900 1.100 1.100
assign (resid 48 and name HG) (resid 48 and name HD**) 2.300 0.500 0.500
assign (resid 32 and name HD*) (resid 29 and name HA) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 32 and name HB*) 3.400 1.600 1.600
assign ((resid 31 and name HG2*) or (resid 38 and name HG**) or (resid 34 and name HG2*))
(resid 35 and name HD*)
3.900 2.100 2.100
!assign (resid 30 and name HA) (resid 34 and name HB) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (61 viol avg 0.132)
assign (resid 41 and name HA) (resid 41 and name HG) 2.900 1.100 1.100
assign (resid 22 and name HB) (resid 22 and name HN) 2.900 1.100 1.100
assign ((resid 31 and name HN) or (resid 36 and name HN))
(resid 32 and name HB*)
3.400 1.600 1.600 ! incr to 5.0 after round 6. (97 viol avg 0.382)
assign (resid 49 and name HG**) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 30 and name HA) 3.400 1.600 1.600
assign ((resid 18 and name HB*) or (resid 20 and name HB*))
(resid 19 and name HA)
3.400 1.600 1.600 ! incr to 5.0 after round 15. (27 viol avg 0.071)
assign (resid 57 and name HB*) (resid 57 and name HE*) 3.400 1.600 1.600
assign (resid 36 and name HB*) (resid 36 and name HG*) 2.300 0.500 0.500
assign (resid 7 and name HB*) (resid 7 and name HA) 2.900 1.100 1.100
assign (resid 1 and name HA) (resid 1 and name HG*) 3.400 1.600 1.600
assign (resid 34 and name HB) (resid 34 and name HG2*) 2.900 1.100 1.100
assign (resid 31 and name HA) (resid 31 and name HD1*) 2.900 1.100 1.100
assign (resid 41 and name HD**) (resid 41 and name HG) 2.300 0.500 0.500
!assign ((resid 47 and name HA*) or (resid 52 and name HA))
! (resid 50 and name HA)
! 3.900 2.100 2.100 ! incr to 6.0 after round 8. (26 viol avg 0.456)
assign (resid 34 and name HD1*) (resid 34 and name HB) 2.900 1.100 1.100
assign (resid 50 and name HB*) (resid 50 and name HD**) 2.900 1.100 1.100
assign (resid 36 and name HN) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 50 and name HA) (resid 50 and name HG) 2.900 1.100 1.100
assign (resid 21 and name HD*)
((resid 18 and name HN) or (resid 19 and name HN))
3.900 2.100 2.100
assign (resid 46 and name HN) (resid 43 and name HA) 2.900 1.100 1.100
assign (resid 43 and name HB) (resid 43 and name HA) 2.300 0.500 0.500
assign (resid 36 and name HB*) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 51 and name HH2) (resid 51 and name HZ2) 2.300 0.500 0.500
assign (resid 41 and name HD**) (resid 41 and name HB*) 2.300 0.500 0.500
assign (resid 46 and name HB*) (resid 44 and name HG2*) 3.400 1.600 1.600
assign (resid 49 and name HA) (resid 52 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (57 viol avg 0.188)
assign (resid 41 and name HB*) (resid 41 and name HN) 2.900 1.100 1.100
assign (resid 40 and name HG) (resid 40 and name HD**) 2.300 0.500 0.500
assign (resid 64 and name HB*) (resid 64 and name HN) 2.900 1.100 1.100
assign (resid 27 and name HB*) (resid 26 and name HN) 3.400 1.600 1.600
assign (resid 40 and name HG) (resid 40 and name HD**) 2.900 1.100 1.100
assign (resid 34 and name HN) (resid 34 and name HA) 2.900 1.100 1.100
assign (resid 63 and name HD2) (resid 63 and name HA) 3.400 1.600 1.600
assign (resid 48 and name HA) (resid 48 and name HB*) 2.300 0.500 0.500
assign (resid 9 and name HB*) (resid 9 and name HD2*) 3.400 1.600 1.600
assign (resid 39 and name HB*) (resid 39 and name HA) 2.900 1.100 1.100
assign (resid 18 and name HG*) (resid 18 and name HA) 2.900 1.100 1.100
assign (resid 3 and name HA) (resid 3 and name HG*) 2.900 1.100 1.100
assign (resid 57 and name HD*) (resid 57 and name HA) 2.900 1.100 1.100
assign (resid 31 and name HG2*) (resid 32 and name HB*) 3.400 1.600 1.600
assign (resid 53 and name HA) (resid 54 and name HN) 3.400 1.600 1.600 ! incr to 6.0 after round 9. (62 viol avg 0.196)
assign (resid 49 and name HN) (resid 48 and name HD**) 3.400 1.600 1.600
assign (resid 2 and name HA) (resid 2 and name HB*) 2.300 0.500 0.500
assign (resid 34 and name HD1*) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 40 and name HD**) (resid 36 and name HG*) 3.400 1.600 1.600
!assign (resid 52 and name HA) (resid 55 and name HE) 3.900 2.100 2.100 ! incr to 6.0 after round 13. (27 viol avg 0.204)
assign (resid 39 and name HD*) (resid 39 and name HB*) 3.900 2.100 2.100
assign (resid 64 and name HB*) (resid 64 and name HA) 2.900 1.100 1.100
assign ((resid 26 and name HB*) or (resid 27 and name HB*))
(resid 25 and name HD*)
2.900 1.100 1.100
assign (resid 18 and name HG*) (resid 19 and name HA) 3.400 1.600 1.600
!assign (resid 48 and name HD**) (resid 51 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign (resid 51 and name HN) (resid 51 and name HB*) 2.900 1.100 1.100
assign (resid 48 and name HA) (resid 48 and name HD**) 2.900 1.100 1.100
assign (resid 11 and name HB*) (resid 12 and name HN) 2.900 1.100 1.100
assign (resid 11 and name HA) (resid 11 and name HB*) 2.300 0.500 0.500
assign (resid 37 and name HB*) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HB*) (resid 55 and name HD*) 3.400 1.600 1.600
assign (resid 40 and name HD**) (resid 40 and name HA) 2.900 1.100 1.100
assign (resid 20 and name HA) (resid 20 and name HB*) 2.900 1.100 1.100
assign (resid 46 and name HB*) (resid 50 and name HD**) 3.400 1.600 1.600
assign (resid 36 and name HG*) (resid 35 and name HD*) 3.900 2.100 2.100
assign (resid 30 and name HB*) (resid 30 and name HA) 2.900 1.100 1.100
assign (resid 2 and name HA) (resid 2 and name HB*) 2.900 1.100 1.100
assign (resid 34 and name HN) (resid 34 and name HG1*) 3.400 1.600 1.600
assign (resid 43 and name HB) (resid 44 and name HG2*) 3.400 1.600 1.600
assign (resid 31 and name HA) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 34 and name HA) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 26 and name HA) (resid 29 and name HB*) 2.900 1.100 1.100
assign (resid 36 and name HG*) (resid 36 and name HA) 2.900 1.100 1.100
assign (resid 15 and name HB*) (resid 15 and name HA) 2.300 0.500 0.500
assign (resid 11 and name HB*) (resid 11 and name HD*) 2.900 1.100 1.100
assign (resid 3 and name HB*) (resid 3 and name HN) 3.400 1.600 1.600
assign (resid 21 and name HD*) (resid 21 and name HA) 2.900 1.100 1.100
assign (resid 34 and name HD1*) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 57 and name HD*) (resid 57 and name HN) 3.400 1.600 1.600
assign (resid 48 and name HA) (resid 51 and name HB*) 3.400 1.600 1.600
!assign (resid 27 and name HB*) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 43 and name HG2*) (resid 43 and name HA) 2.900 1.100 1.100
assign (resid 36 and name HE*) (resid 35 and name HD*) 3.900 2.100 2.100
assign (resid 41 and name HD**) (resid 44 and name HG2*) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 41 and name HB*) 2.900 1.100 1.100
assign (resid 19 and name HA) (resid 19 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (51 viol avg 0.119)
assign ((resid 38 and name HB) or (resid 32 and name HG*))
(resid 35 and name HA)
3.400 1.600 1.600
assign (resid 8 and name HB*) (resid 8 and name HA) 2.900 1.100 1.100
!assign (resid 34 and name HD1*) (resid 32 and name HB*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign (resid 39 and name HD*) (resid 35 and name HE*) 3.900 2.100 2.100
assign (resid 36 and name HG*)
((resid 35 and name HB*) or (resid 39 and name HB*))
3.400 1.600 1.600
assign ((resid 35 and name HB*) or (resid 39 and name HB*))
(resid 35 and name HE*)
3.400 1.600 1.600
assign (resid 7 and name HD*) (resid 7 and name HB*) 3.900 2.100 2.100
assign (resid 49 and name HG**) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 22 and name HB) (resid 22 and name HG2*) 2.300 0.500 0.500
assign (resid 39 and name HA) (resid 39 and name HN) 2.900 1.100 1.100
assign (resid 18 and name HB*) (resid 18 and name HA) 2.300 0.500 0.500
assign (resid 36 and name HB*) (resid 36 and name HG*) 2.300 0.500 0.500
assign (resid 31 and name HA) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 9 and name HB*) (resid 9 and name HD2*) 3.400 1.600 1.600
assign (resid 25 and name HD*) (resid 25 and name HE*) 2.900 1.100 1.100
assign (resid 33 and name HB*) (resid 33 and name HA) 2.900 1.100 1.100
assign (resid 22 and name HG2*) (resid 25 and name HE*) 3.400 1.600 1.600
assign (resid 3 and name HB*) (resid 3 and name HG*) 2.300 0.500 0.500
!assign (resid 30 and name HD**) (resid 31 and name HG1*) 2.900 1.100 1.100 ! incr to 4.0 after round 14. (39 viol avg 0.130)
assign (resid 11 and name HB*) (resid 11 and name HD*) 3.400 1.600 1.600
assign ((resid 57 and name HB*) or (resid 56 and name HB*) or (resid 50 and name HB*))
(resid 53 and name HG**)
2.900 1.100 1.100 ! incr to 5.0 after round 9. (54 viol avg 0.179)
assign (resid 32 and name HD*) (resid 31 and name HB) 2.900 1.100 1.100
assign (resid 56 and name HE*) (resid 56 and name HG*) 2.900 1.100 1.100
assign (resid 24 and name HD1) (resid 24 and name HE1) 2.900 1.100 1.100
assign (resid 34 and name HG2*) (resid 34 and name HG1*) 2.900 1.100 1.100
assign ((resid 30 and name HB*) or (resid 32 and name HB*))
(resid 29 and name HA)
3.400 1.600 1.600 ! incr to 5.0 after round 3. (50 viol avg 0.881)
assign (resid 37 and name HD**) (resid 36 and name HB*) 3.400 1.600 1.600
assign (resid 37 and name HB*) (resid 34 and name HA) 3.400 1.600 1.600
assign (resid 49 and name HA) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HA) 2.900 1.100 1.100
!assign (resid 32 and name HD*) (resid 31 and name HG1*) 3.400 1.600 1.600
assign (resid 49 and name HG**) (resid 50 and name HN) 2.900 1.100 1.100
assign (resid 27 and name HB*)
((resid 25 and name HD*) or (resid 29 and name HB*))
3.900 2.100 2.100 ! incr to 6.0 after round 10. (57 viol avg 0.175)
assign (resid 37 and name HB*) (resid 34 and name HA) 3.400 1.600 1.600
assign (resid 48 and name HD**) (resid 48 and name HB*) 2.900 1.100 1.100
assign (resid 49 and name HN) (resid 45 and name HA*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (31 viol avg 0.254)
assign (resid 47 and name HN) (resid 47 and name HA*) 2.900 1.100 1.100
assign (resid 26 and name HB*) (resid 23 and name HA) 2.900 1.100 1.100
assign (resid 50 and name HA) (resid 50 and name HD**) 2.900 1.100 1.100
!assign (resid 49 and name HA) (resid 50 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (83 viol avg 1.138)
assign (resid 13 and name HB*) (resid 13 and name HA) 2.900 1.100 1.100
assign (resid 38 and name HB) (resid 38 and name HG**) 2.900 1.100 1.100
assign (resid 14 and name HB*) (resid 13 and name HN) 2.900 1.100 1.100
assign (resid 27 and name HB*) (resid 27 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HD*) (resid 55 and name HH**) 2.900 1.100 1.100
assign (resid 24 and name HB*) (resid 24 and name HD1) 2.900 1.100 1.100
assign (resid 30 and name HN) (resid 30 and name HA) 2.900 1.100 1.100
assign (resid 38 and name HB) (resid 38 and name HA) 2.900 1.100 1.100
!assign (resid 55 and name HG*) (resid 56 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (69 viol avg 0.513)
!!!!!!!!! 15N edited NOEs from AJ55_LPPG_37C
assign (resid 52 and name HN)
((resid 56 and name HG*) or (resid 50 and name HB*))
3.900 2.100 2.100 ! incr to 6.0 after round 10. (51 viol avg 0.146)
assign (resid 25 and name HN) (resid 24 and name HE1) 3.400 1.600 1.600
assign (resid 48 and name HN) (resid 45 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (27 viol avg 0.138)
assign (resid 26 and name HB*) (resid 26 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 13. (35 viol avg 0.135)
assign (resid 19 and name HB*) (resid 18 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (25 viol avg 0.099)
assign (resid 28 and name HN) (resid 27 and name HN) 2.900 1.100 1.100
assign (resid 57 and name HB*) (resid 58 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HB*) (resid 55 and name HN) 2.900 1.100 1.100
assign (resid 20 and name HN) (resid 19 and name HN) 2.900 1.100 1.100
assign (resid 33 and name HB*) (resid 35 and name HN) 3.400 1.600 1.600
assign (resid 21 and name HN) (resid 19 and name HA) 2.900 1.100 1.100
assign (resid 11 and name HB*) (resid 11 and name HN) 2.900 1.100 1.100
assign (resid 38 and name HN) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 53 and name HN) (resid 53 and name HB) 2.900 1.100 1.100
!assign (resid 18 and name HG*) (resid 17 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (52 viol avg 0.113)
assign (resid 53 and name HA) (resid 54 and name HN) 2.900 1.100 1.100
assign (resid 41 and name HB*) (resid 41 and name HN) 2.900 1.100 1.100
assign (resid 28 and name HN) (resid 26 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (58 viol avg 0.117)
assign (resid 50 and name HN) (resid 51 and name HN) 2.900 1.100 1.100
assign (resid 54 and name HN) (resid 51 and name HA) 2.900 1.100 1.100
assign (resid 16 and name HG*) (resid 16 and name HN) 2.900 1.100 1.100
assign (resid 24 and name HA) (resid 24 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 14. (25 viol avg 0.096)
assign (resid 55 and name HD*) (resid 55 and name HH**) 3.900 2.100 2.100
assign (resid 27 and name HA) (resid 28 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (88 viol avg 1.193)
assign (resid 14 and name HN) (resid 13 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (53 viol avg 0.597)
assign (resid 29 and name HN)
((resid 30 and name HG) or (resid 30 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 11. (65 viol avg 0.083)
assign (resid 55 and name HD*) (resid 55 and name HH**) 3.400 1.600 1.600
!assign (resid 27 and name HB*) (resid 24 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (90 viol avg 0.165)
assign (resid 55 and name HG*) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 56 and name HA) (resid 57 and name HN) 2.900 1.100 1.100
!assign (resid 12 and name HN)
! ((resid 15 and name HA) or (resid 14 and name HA))
! 3.400 1.600 1.600 ! incr to 5.0 after round 5. (63 viol avg 0.438)
assign (resid 46 and name HN) (resid 44 and name HG2*) 3.400 1.600 1.600
assign (resid 48 and name HG) (resid 48 and name HN) 2.300 0.500 0.500
assign (resid 37 and name HN) (resid 37 and name HG) 2.900 1.100 1.100
assign (resid 31 and name HA) (resid 35 and name HN) 3.400 1.600 1.600
assign (resid 31 and name HN) (resid 31 and name HB) 2.900 1.100 1.100
assign (resid 51 and name HD1) (resid 51 and name HE1) 2.300 0.500 0.500
assign (resid 24 and name HN) (resid 24 and name HE1) 3.400 1.600 1.600
assign (resid 50 and name HN) (resid 50 and name HD**) 2.900 1.100 1.100
assign (resid 24 and name HB*) (resid 24 and name HN) 2.900 1.100 1.100
assign (resid 24 and name HD1) (resid 24 and name HN) 2.900 1.100 1.100
assign (resid 40 and name HD**) (resid 43 and name HN) 3.900 2.100 2.100
assign (resid 24 and name HZ2) (resid 24 and name HE1) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (100 viol avg 0.057)
assign (resid 34 and name HN) (resid 33 and name HN) 2.900 1.100 1.100
assign (resid 54 and name HB*) (resid 54 and name HN) 2.900 1.100 1.100
assign (resid 62 and name HN) (resid 62 and name HB*) 2.300 0.500 0.500
assign ((resid 36 and name HN) or (resid 36 and name HN))
((resid 37 and name HG) or (resid 48 and name HB*) or (resid 34 and name HG1*) or (resid 32 and name HB*))
2.900 1.100 1.100 ! incr to 5.0 after round 9. (51 viol avg 0.166)
assign (resid 36 and name HE*) (resid 39 and name HN) 3.900 2.100 2.100
assign (resid 15 and name HB*) (resid 15 and name HN) 2.900 1.100 1.100
assign (resid 58 and name HA*) (resid 60 and name HN) 3.400 1.600 1.600
assign (resid 63 and name HN) (resid 64 and name HN) 2.900 1.100 1.100
!assign (resid 41 and name HA) (resid 40 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (81 viol avg 0.237)
assign (resid 11 and name HB*) (resid 12 and name HN) 2.900 1.100 1.100
assign (resid 38 and name HN) (resid 37 and name HN) 2.300 0.500 0.500
assign (resid 53 and name HN) (resid 52 and name HN) 2.900 1.100 1.100
assign (resid 27 and name HN) (resid 23 and name HA) 2.900 1.100 1.100
assign (resid 57 and name HA) (resid 58 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (93 viol avg 0.151)
assign (resid 46 and name HN) (resid 47 and name HN) 2.900 1.100 1.100
assign (resid 15 and name HB*) (resid 15 and name HD2*) 3.400 1.600 1.600
assign (resid 6 and name HB*) (resid 6 and name HN) 2.900 1.100 1.100
assign (resid 60 and name HB*) (resid 60 and name HN) 2.300 0.500 0.500
!assign (resid 24 and name HA) (resid 24 and name HE1) 3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid 55 and name HE) (resid 55 and name HH**) 2.900 1.100 1.100
assign (resid 8 and name HA) (resid 9 and name HN) 2.300 0.500 0.500
assign (resid 20 and name HN) (resid 21 and name HN) 2.900 1.100 1.100
assign (resid 38 and name HB) (resid 38 and name HN) 2.900 1.100 1.100
assign (resid 56 and name HN) (resid 57 and name HN) 2.900 1.100 1.100
assign (resid 57 and name HE*) (resid 57 and name HN) 3.400 1.600 1.600
assign ((resid 31 and name HG1*) or (resid 30 and name HB*))
(resid 33 and name HN)
3.400 1.600 1.600
assign (resid 33 and name HB*) (resid 29 and name HN) 3.900 2.100 2.100
assign (resid 51 and name HN) (resid 51 and name HB*) 2.900 1.100 1.100
!assign (resid 14 and name HN) (resid 15 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (60 viol avg 0.330)
assign (resid 15 and name HD2*) (resid 15 and name HA) 3.400 1.600 1.600
assign (resid 41 and name HD**) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 11 and name HB*) (resid 11 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 13. (32 viol avg 0.083)
assign (resid 15 and name HA) (resid 16 and name HE2*) 2.900 1.100 1.100
assign (resid 25 and name HG*) (resid 25 and name HN) 2.900 1.100 1.100
assign (resid 59 and name HB*) (resid 58 and name HN) 3.400 1.600 1.600
assign (resid 46 and name HN)
((resid 44 and name HB) or (resid 44 and name HA) or (resid 48 and name HA))
3.400 1.600 1.600 ! incr to 5.0 after round 13. (27 viol avg 0.169)
assign (resid 15 and name HN) (resid 14 and name HN) 2.300 0.500 0.500
assign (resid 59 and name HA) (resid 55 and name HH**) 2.900 1.100 1.100
assign (resid 25 and name HN) (resid 24 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HN) (resid 23 and name HA) 2.900 1.100 1.100
assign (resid 6 and name HN) (resid 7 and name HN) 2.300 0.500 0.500
assign (resid 60 and name HN) (resid 58 and name HN) 3.400 1.600 1.600
assign (resid 48 and name HN) (resid 47 and name HA*) 2.900 1.100 1.100
assign (resid 48 and name HD**) (resid 48 and name HN) 2.900 1.100 1.100
assign (resid 15 and name HB*) (resid 15 and name HN) 2.900 1.100 1.100
assign (resid 59 and name HN) (resid 60 and name HN) 2.900 1.100 1.100
assign (resid 31 and name HG2*) (resid 31 and name HN) 2.900 1.100 1.100
!assign (resid 29 and name HN) (resid 31 and name HG1*) 2.900 1.100 1.100
!assign (resid 29 and name HB*) (resid 33 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 13
assign (resid 56 and name HN) (resid 57 and name HN) 2.900 1.100 1.100
assign (resid 56 and name HN) (resid 56 and name HG*) 2.300 0.500 0.500
assign (resid 41 and name HG) (resid 41 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 11. (51 viol avg 0.077)
assign (resid 44 and name HG2*) (resid 44 and name HN) 2.900 1.100 1.100
assign (resid 9 and name HB*) (resid 9 and name HD2*) 3.400 1.600 1.600
assign (resid 54 and name HA) (resid 54 and name HN) 2.900 1.100 1.100
assign (resid 39 and name HA) (resid 39 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HN) (resid 35 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HA) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 16 and name HN) (resid 15 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (26 viol avg 0.332)
assign (resid 46 and name HB*) (resid 47 and name HN) 2.900 1.100 1.100
assign (resid 42 and name HN) (resid 44 and name HG2*) 3.400 1.600 1.600
assign (resid 25 and name HD*) (resid 26 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HE*) (resid 26 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (50 viol avg 0.169)
assign (resid 51 and name HE1) (resid 51 and name HB*) 3.400 1.600 1.600
assign (resid 52 and name HG2*) (resid 53 and name HN) 2.900 1.100 1.100
assign (resid 18 and name HB*) (resid 18 and name HN) 2.300 0.500 0.500
assign (resid 3 and name HB*) (resid 3 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HG*) (resid 26 and name HN) 2.900 1.100 1.100
!assign (resid 31 and name HG1*) (resid 35 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14
!assign (resid 51 and name HE1) (resid 51 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign (resid 14 and name HN) (resid 13 and name HN) 2.900 1.100 1.100
assign (resid 42 and name HN) (resid 38 and name HG**) 3.400 1.600 1.600
assign (resid 59 and name HB*) (resid 59 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 16. (36 viol avg 0.097)
assign (resid 42 and name HN) (resid 42 and name HA*) 2.900 1.100 1.100
assign (resid 24 and name HB*) (resid 24 and name HE1) 3.400 1.600 1.600
assign (resid 27 and name HN) (resid 26 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 13. (32 viol avg 0.121)
assign (resid 26 and name HA) (resid 29 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 14. (42 viol avg 0.067)
assign (resid 57 and name HN) (resid 58 and name HN) 2.900 1.100 1.100
assign (resid 54 and name HD*) (resid 55 and name HN) 3.400 1.600 1.600
assign (resid 57 and name HD*) (resid 57 and name HN) 2.900 1.100 1.100
assign (resid 7 and name HB*) (resid 8 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HN) (resid 35 and name HB*) 2.900 1.100 1.100
assign (resid 52 and name HG2*) (resid 52 and name HN) 3.400 1.600 1.600
assign (resid 62 and name HN) (resid 62 and name HB*) 2.300 0.500 0.500
assign (resid 20 and name HN) (resid 19 and name HN) 2.300 0.500 0.500
assign (resid 52 and name HN) (resid 51 and name HB*) 2.900 1.100 1.100
assign (resid 59 and name HA) (resid 55 and name HH**) 2.900 1.100 1.100
!assign (resid 23 and name HN) (resid 21 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (54 viol avg 0.182)
assign (resid 7 and name HD*) (resid 7 and name HN) 3.900 2.100 2.100
assign (resid 10 and name HA) (resid 13 and name HN) 3.400 1.600 1.600
assign (resid 49 and name HA) (resid 52 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (57 viol avg 0.188)
assign (resid 53 and name HA*) (resid 57 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (52 viol avg 0.322)
assign ((resid 48 and name HD**) or (resid 49 and name HG**))
(resid 52 and name HN)
3.400 1.600 1.600
assign (resid 18 and name HA) (resid 19 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (63 viol avg 0.549)
assign (resid 58 and name HA*) (resid 59 and name HN) 2.300 0.500 0.500
assign (resid 40 and name HB*) (resid 40 and name HN) 2.900 1.100 1.100
!assign (resid 55 and name HG*) (resid 55 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (50 viol avg 0.985)
assign (resid 3 and name HN) (resid 4 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HD*) (resid 55 and name HE) 3.900 2.100 2.100
assign (resid 43 and name HG2*) (resid 42 and name HN) 3.900 2.100 2.100
assign (resid 33 and name HA) (resid 34 and name HN) 2.900 1.100 1.100 ! incr to 5.0 after round 1. (95 viol avg 1.561)
assign (resid 30 and name HN) (resid 31 and name HB) 3.400 1.600 1.600
assign (resid 16 and name HA) (resid 16 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (51 viol avg 0.123)
assign (resid 59 and name HB*) (resid 59 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 16. (36 viol avg 0.097)
assign (resid 36 and name HB*) (resid 36 and name HN) 2.900 1.100 1.100
assign (resid 47 and name HN) (resid 47 and name HA*) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 43 and name HN) 3.400 1.600 1.600
assign (resid 34 and name HN) (resid 34 and name HG2*) 2.900 1.100 1.100
assign (resid 39 and name HD*) (resid 38 and name HN) 3.900 2.100 2.100
assign (resid 54 and name HD*) (resid 54 and name HN) 3.400 1.600 1.600
assign (resid 20 and name HA) (resid 21 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (64 viol avg 0.093)
assign (resid 52 and name HN) (resid 51 and name HB*) 2.900 1.100 1.100
assign (resid 32 and name HG*) (resid 29 and name HN) 3.400 1.600 1.600
assign (resid 22 and name HN) (resid 22 and name HA) 2.900 1.100 1.100
assign (resid 25 and name HN) (resid 26 and name HN) 2.900 1.100 1.100
assign (resid 7 and name HA) (resid 8 and name HN) 2.300 0.500 0.500
assign (resid 58 and name HA*) (resid 59 and name HN) 2.300 0.500 0.500
!assign (resid 36 and name HB*) (resid 38 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 12. (28 viol avg 0.120)
assign (resid 20 and name HG*) (resid 20 and name HN) 2.900 1.100 1.100
assign (resid 50 and name HN) (resid 49 and name HB) 2.900 1.100 1.100
!assign ((resid 55 and name HG*) or (resid 52 and name HG2*))
! (resid 51 and name HE1)
! 3.400 1.600 1.600 ! incr to 5.0 after round 3. (52 viol avg 0.866)
assign (resid 38 and name HN) (resid 39 and name HB*) 3.400 1.600 1.600
assign (resid 51 and name HN) (resid 51 and name HE3) 3.900 2.100 2.100 ! incr to 6.0 after round 16. (28 viol avg 0.124)
assign (resid 58 and name HA*) (resid 58 and name HN) 2.300 0.500 0.500
assign (resid 38 and name HN) (resid 34 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (67 viol avg 0.103)
assign (resid 23 and name HB*) (resid 23 and name HN) 2.900 1.100 1.100
!assign (resid 31 and name HG1*) (resid 33 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (98 viol avg 0.622)
assign (resid 42 and name HA*) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 55 and name HD*) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 63 and name HB*) (resid 63 and name HN) 2.300 0.500 0.500
assign (resid 46 and name HN) (resid 46 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (69 viol avg 0.105)
assign (resid 34 and name HA) (resid 37 and name HN) 3.400 1.600 1.600
assign (resid 15 and name HN) (resid 14 and name HN) 2.300 0.500 0.500
assign (resid 64 and name HA) (resid 64 and name HN) 2.900 1.100 1.100
assign (resid 10 and name HD*) (resid 10 and name HN) 3.400 1.600 1.600
assign (resid 15 and name HB*) (resid 16 and name HN) 2.900 1.100 1.100
assign (resid 11 and name HB*) (resid 12 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HN) (resid 25 and name HE*) 3.400 1.600 1.600
assign (resid 30 and name HN) (resid 30 and name HA) 2.900 1.100 1.100
assign (resid 59 and name HA) (resid 59 and name HN) 2.300 0.500 0.500
assign (resid 16 and name HB*) (resid 17 and name HN) 2.900 1.100 1.100
assign (resid 27 and name HN) (resid 26 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HG*) (resid 37 and name HN) 3.400 1.600 1.600
assign (resid 51 and name HE1) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 45 and name HN) (resid 44 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 5. (52 viol avg 0.576)
assign (resid 55 and name HE) (resid 55 and name HH**) 2.900 1.100 1.100
assign (resid 33 and name HB*) (resid 37 and name HN) 3.900 2.100 2.100
assign (resid 21 and name HN)
((resid 18 and name HB*) or (resid 20 and name HB*))
2.900 1.100 1.100
assign (resid 63 and name HN) (resid 62 and name HN) 2.900 1.100 1.100
assign (resid 34 and name HN) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 42 and name HA*) (resid 43 and name HN) 2.900 1.100 1.100
assign (resid 24 and name HN) (resid 23 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (96 viol avg 0.616)
assign (resid 49 and name HN) (resid 49 and name HA) 2.900 1.100 1.100
assign (resid 43 and name HB) (resid 43 and name HN) 2.900 1.100 1.100
assign (resid 63 and name HD2) (resid 63 and name HN) 3.400 1.600 1.600
assign (resid 20 and name HN) (resid 19 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (67 viol avg 0.096)
assign (resid 50 and name HN) (resid 50 and name HA) 2.900 1.100 1.100
assign (resid 15 and name HA) (resid 16 and name HE2*) 2.900 1.100 1.100
assign (resid 54 and name HN) (resid 53 and name HB) 2.900 1.100 1.100
assign (resid 17 and name HB*) (resid 17 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (68 viol avg 0.109)
assign (resid 52 and name HB) (resid 53 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (36 viol avg 0.301)
!assign (resid 22 and name HN) (resid 18 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (54 viol avg 0.191)
assign (resid 45 and name HN) (resid 44 and name HN) 2.900 1.100 1.100
assign (resid 26 and name HA) (resid 28 and name HN) 2.900 1.100 1.100
assign (resid 18 and name HB*) (resid 17 and name HN) 2.900 1.100 1.100
assign (resid 60 and name HB*) (resid 60 and name HN) 2.300 0.500 0.500
assign (resid 48 and name HA) (resid 47 and name HN) 3.400 1.600 1.600
assign (resid 11 and name HD*) (resid 11 and name HN) 3.400 1.600 1.600
assign (resid 15 and name HB*) (resid 15 and name HD2*) 3.400 1.600 1.600
assign ((resid 51 and name HN) or (resid 9 and name HN))
((resid 51 and name HH2) or (resid 11 and name HD*))
3.400 1.600 1.600 ! incr to 5.0 after round 1. (63 viol avg 1.428)
assign (resid 40 and name HA) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 8 and name HA) (resid 8 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (84 viol avg 0.086)
assign (resid 34 and name HN) (resid 34 and name HA) 2.900 1.100 1.100
assign (resid 5 and name HN) (resid 4 and name HN) 3.400 1.600 1.600
assign (resid 19 and name HA) (resid 23 and name HN) 3.400 1.600 1.600
assign (resid 63 and name HN) (resid 62 and name HN) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 46 and name HD2*) 3.900 2.100 2.100
assign (resid 24 and name HE1) (resid 25 and name HB*) 3.400 1.600 1.600
assign (resid 61 and name HD2) (resid 61 and name HN) 3.400 1.600 1.600
assign (resid 20 and name HN) (resid 21 and name HA) 3.900 2.100 2.100
assign (resid 51 and name HE1) (resid 51 and name HZ2) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (91 viol avg 0.055)
assign (resid 46 and name HN) (resid 48 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 17. (29 viol avg 0.089)
assign (resid 35 and name HA) (resid 35 and name HN) 2.900 1.100 1.100
assign (resid 9 and name HN) (resid 9 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (86 viol avg 0.083)
assign (resid 37 and name HB*) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 11 and name HA) (resid 11 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 11. (53 viol avg 0.107)
assign (resid 48 and name HN) (resid 49 and name HB) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (64 viol avg 0.337)
assign ((resid 26 and name HN) or (resid 22 and name HN))
(resid 23 and name HN)
2.900 1.100 1.100 ! incr to 5.0 after round 12. (25 viol avg 0.189)
assign (resid 10 and name HA) (resid 10 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 13. (26 viol avg 0.070)
assign (resid 30 and name HN) (resid 29 and name HB*) 3.400 1.600 1.600
assign (resid 24 and name HH2) (resid 24 and name HE1) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (100 viol avg 0.986)
assign (resid 34 and name HN) (resid 35 and name HB*) 2.900 1.100 1.100
assign (resid 17 and name HN) (resid 16 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (100 viol avg 0.841)
assign (resid 38 and name HG**) (resid 39 and name HN) 3.400 1.600 1.600
assign (resid 14 and name HA) (resid 14 and name HN) 2.900 1.100 1.100
assign (resid 24 and name HD1) (resid 24 and name HE1) 2.300 0.500 0.500
assign (resid 50 and name HN) (resid 50 and name HB*) 2.900 1.100 1.100
assign (resid 9 and name HA) (resid 10 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 12. (27 viol avg 0.301)
assign (resid 64 and name HD2) (resid 64 and name HN) 3.400 1.600 1.600
assign (resid 34 and name HN) (resid 35 and name HN) 2.300 0.500 0.500
!assign (resid 15 and name HN) (resid 19 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (73 viol avg 0.176)
assign (resid 33 and name HB*) (resid 33 and name HN) 2.900 1.100 1.100
!assign (resid 51 and name HE1) (resid 51 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign ((resid 38 and name HN) or (resid 14 and name HN))
((resid 42 and name HA*) or (resid 12 and name HA*) or (resid 17 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (87 viol avg 0.484)
assign (resid 24 and name HN) (resid 23 and name HN) 2.300 0.500 0.500
assign (resid 22 and name HN) (resid 21 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (26 viol avg 0.401)
assign (resid 50 and name HN) (resid 49 and name HN) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 47 and name HN) 3.400 1.600 1.600
assign (resid 14 and name HB*) (resid 14 and name HN) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 31 and name HN) 2.300 0.500 0.500
!assign (resid 47 and name HN) (resid 51 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 9. (59 viol avg 0.223)
assign (resid 30 and name HN)
((resid 31 and name HG1*) or (resid 30 and name HB*))
2.900 1.100 1.100
assign (resid 38 and name HN) (resid 38 and name HA) 2.900 1.100 1.100
assign (resid 55 and name HG*) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 38 and name HN) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 56 and name HA) (resid 56 and name HN) 2.900 1.100 1.100
assign (resid 22 and name HG2*) (resid 24 and name HE1) 3.900 2.100 2.100
assign ((resid 49 and name HG**) or (resid 43 and name HG2*))
(resid 45 and name HN)
3.900 2.100 2.100
assign (resid 46 and name HN) (resid 46 and name HD2*) 2.900 1.100 1.100
assign (resid 40 and name HB*) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HN) (resid 26 and name HN) 2.900 1.100 1.100
assign (resid 56 and name HA) (resid 58 and name HN) 2.900 1.100 1.100
assign ((resid 30 and name HD**) or (resid 38 and name HG**))
(resid 34 and name HN)
3.900 2.100 2.100 ! incr to 6.0 after round 6. (64 viol avg 0.284)
assign (resid 38 and name HN) (resid 38 and name HG**) 2.900 1.100 1.100
assign (resid 51 and name HD1) (resid 52 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (46 viol avg 0.317)
assign (resid 56 and name HN) (resid 56 and name HE*) 3.400 1.600 1.600
assign (resid 52 and name HN) (resid 51 and name HA) 2.900 1.100 1.100
assign (resid 57 and name HG*) (resid 58 and name HN) 2.900 1.100 1.100
assign (resid 12 and name HN) (resid 13 and name HB*) 3.900 2.100 2.100
assign (resid 46 and name HN) (resid 46 and name HD2*) 3.400 1.600 1.600
assign (resid 38 and name HN)
((resid 34 and name HG1*) or (resid 37 and name HG) or (resid 37 and name HB*))
3.400 1.600 1.600 ! incr to 5.0 after round 2. (55 viol avg 1.028)
assign (resid 34 and name HN)
((resid 36 and name HB*) or (resid 32 and name HB*))
3.400 1.600 1.600
assign (resid 53 and name HG**) (resid 54 and name HN) 3.400 1.600 1.600
assign (resid 55 and name HB*) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 25 and name HN) (resid 24 and name HD1) 3.400 1.600 1.600
assign (resid 31 and name HG2*) (resid 33 and name HN) 3.400 1.600 1.600
assign (resid 56 and name HN) (resid 55 and name HN) 2.900 1.100 1.100
assign (resid 32 and name HD*) (resid 33 and name HN) 3.400 1.600 1.600
assign (resid 53 and name HN) (resid 53 and name HA) 2.900 1.100 1.100
assign (resid 12 and name HN) (resid 12 and name HA*) 2.300 0.500 0.500
assign ((resid 30 and name HA) or (resid 30 and name HA))
(resid 29 and name HN)
3.400 1.600 1.600 ! incr to 5.0 after round 3. (52 viol avg 0.823)
!assign (resid 55 and name HA) (resid 51 and name HE1) 3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid 27 and name HA) (resid 27 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (52 viol avg 0.117)
!assign ((resid 58 and name HA*) or (resid 53 and name HA))
! (resid 56 and name HN)
! 3.400 1.600 1.600 ! incr to 5.0 after round 7. (30 viol avg 0.463)
assign (resid 35 and name HB*) (resid 35 and name HN) 2.900 1.100 1.100
assign (resid 62 and name HN) (resid 62 and name HD2) 3.400 1.600 1.600
assign (resid 51 and name HE1) (resid 55 and name HD*) 2.900 1.100 1.100
assign (resid 28 and name HN) (resid 31 and name HD1*) 3.900 2.100 2.100
assign (resid 24 and name HB*) (resid 24 and name HE1) 3.400 1.600 1.600
assign (resid 24 and name HN) (resid 23 and name HB*) 2.900 1.100 1.100
assign (resid 6 and name HA) (resid 6 and name HN) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 46 and name HD2*) 3.400 1.600 1.600
assign (resid 36 and name HN) (resid 36 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (99 viol avg 0.133)
assign (resid 10 and name HB*) (resid 10 and name HN) 2.300 0.500 0.500
assign (resid 15 and name HN) (resid 15 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 15. (28 viol avg 0.066)
assign (resid 34 and name HN) (resid 33 and name HN) 2.900 1.100 1.100
assign (resid 38 and name HA) (resid 40 and name HN) 3.400 1.600 1.600
assign (resid 21 and name HN) (resid 21 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 12. (26 viol avg 0.114)
assign (resid 9 and name HB*) (resid 9 and name HD2*) 3.400 1.600 1.600
assign (resid 31 and name HA) (resid 33 and name HN) 3.400 1.600 1.600
assign (resid 31 and name HN) (resid 31 and name HD1*) 2.900 1.100 1.100
assign (resid 61 and name HA) (resid 62 and name HN) 2.300 0.500 0.500
assign (resid 60 and name HN) (resid 61 and name HN) 2.900 1.100 1.100
assign (resid 41 and name HN) (resid 43 and name HN) 3.400 1.600 1.600
assign (resid 56 and name HN) (resid 58 and name HN) 3.400 1.600 1.600
assign (resid 61 and name HA) (resid 61 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 12. (32 viol avg 0.100)
assign (resid 11 and name HA) (resid 12 and name HN) 2.300 0.500 0.500
assign (resid 17 and name HN) (resid 18 and name HN) 2.900 1.100 1.100
!assign (resid 26 and name HB*) (resid 24 and name HE1) 3.900 2.100 2.100 ! could be commented out due to major violation after round 12
assign (resid 40 and name HN) (resid 39 and name HN) 2.900 1.100 1.100
assign (resid 6 and name HN) (resid 5 and name HA*) 2.900 1.100 1.100
assign (resid 5 and name HN) (resid 4 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HA) (resid 56 and name HN) 2.900 1.100 1.100
assign (resid 60 and name HN) (resid 61 and name HN) 2.900 1.100 1.100
assign (resid 46 and name HA) (resid 47 and name HN) 2.900 1.100 1.100
assign (resid 38 and name HG**) (resid 39 and name HN) 3.400 1.600 1.600
assign (resid 58 and name HA*) (resid 61 and name HN) 3.400 1.600 1.600
assign (resid 9 and name HN)
((resid 13 and name HN) or (resid 11 and name HN))
2.300 0.500 0.500
!assign (resid 24 and name HE1) (resid 23 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 4. (77 viol avg 0.574)
assign (resid 33 and name HN) (resid 34 and name HG1*) 3.400 1.600 1.600
assign (resid 39 and name HB*) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 51 and name HE1) (resid 55 and name HE) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (28 viol avg 0.337)
assign (resid 38 and name HN) (resid 38 and name HG**) 2.900 1.100 1.100
assign (resid 29 and name HN) (resid 29 and name HB*) 2.900 1.100 1.100
assign (resid 58 and name HA*) (resid 58 and name HN) 2.300 0.500 0.500
assign (resid 39 and name HD*) (resid 40 and name HN) 3.400 1.600 1.600
!assign (resid 46 and name HA) (resid 45 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (57 viol avg 0.139)
assign (resid 18 and name HG*) (resid 18 and name HN) 2.900 1.100 1.100
assign (resid 34 and name HN) (resid 36 and name HG*) 2.900 1.100 1.100
assign (resid 55 and name HG*) (resid 55 and name HH**) 3.400 1.600 1.600
assign (resid 50 and name HN) (resid 51 and name HB*) 3.400 1.600 1.600
assign (resid 42 and name HN)
((resid 40 and name HG) or (resid 41 and name HB*))
3.400 1.600 1.600 ! incr to 6.0 after round 12. (26 viol avg 0.189)
assign (resid 24 and name HB*) (resid 25 and name HN) 3.400 1.600 1.600
assign (resid 20 and name HN) (resid 20 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (60 viol avg 0.076)
assign (resid 48 and name HD**) (resid 51 and name HE1) 3.900 2.100 2.100
assign (resid 16 and name HB*) (resid 16 and name HN) 2.900 1.100 1.100
assign (resid 3 and name HA) (resid 4 and name HN) 2.900 1.100 1.100
!assign (resid 29 and name HN) (resid 31 and name HG1*) 2.900 1.100 1.100
!assign (resid 28 and name HN) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 53 and name HN) (resid 53 and name HG**) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 40 and name HN) (resid 39 and name HN) 2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 27 and name HN) (resid 25 and name HN) 3.400 1.600 1.600
assign (resid 49 and name HG**) (resid 49 and name HN) 2.900 1.100 1.100
!assign (resid 55 and name HG*) (resid 57 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (58 viol avg 0.330)
assign (resid 56 and name HN) (resid 56 and name HB*) 2.300 0.500 0.500
assign (resid 29 and name HN) (resid 28 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HD*) (resid 55 and name HE) 3.900 2.100 2.100
assign (resid 50 and name HN) (resid 48 and name HA) 3.400 1.600 1.600
assign (resid 46 and name HN) (resid 46 and name HD2*) 3.400 1.600 1.600
assign (resid 45 and name HN) (resid 47 and name HA*) 3.400 1.600 1.600
assign (resid 64 and name HB*) (resid 64 and name HN) 2.300 0.500 0.500
!assign (resid 27 and name HA) (resid 26 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (87 viol avg 0.604)
assign (resid 59 and name HN) (resid 60 and name HN) 2.900 1.100 1.100
assign (resid 33 and name HB*) (resid 34 and name HN) 3.400 1.600 1.600
assign (resid 12 and name HN) (resid 11 and name HN) 2.900 1.100 1.100
assign (resid 47 and name HN) (resid 50 and name HD**) 3.900 2.100 2.100
assign (resid 20 and name HN) (resid 20 and name HB*) 2.900 1.100 1.100
assign (resid 43 and name HG2*) (resid 43 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HA) (resid 55 and name HE) 3.400 1.600 1.600
assign (resid 33 and name HN) (resid 33 and name HA) 2.900 1.100 1.100
assign (resid 30 and name HN) (resid 29 and name HA) 2.900 1.100 1.100
assign (resid 3 and name HN) (resid 4 and name HN) 2.900 1.100 1.100
assign (resid 26 and name HA) (resid 26 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (87 viol avg 0.122)
assign (resid 12 and name HA*) (resid 13 and name HN) 2.300 0.500 0.500
assign (resid 61 and name HB*) (resid 61 and name HN) 2.900 1.100 1.100
assign (resid 51 and name HD1) (resid 51 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (58 viol avg 0.145)
assign (resid 6 and name HN) (resid 7 and name HN) 2.300 0.500 0.500
assign (resid 55 and name HD*) (resid 55 and name HE) 3.900 2.100 2.100
assign (resid 31 and name HN) (resid 28 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (63 viol avg 0.206)
assign (resid 40 and name HG) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 53 and name HN) (resid 56 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (61 viol avg 0.311)
assign (resid 18 and name HN) (resid 15 and name HA) 2.900 1.100 1.100
!assign (resid 42 and name HA*) (resid 39 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (57 viol avg 0.461)
assign (resid 9 and name HN) (resid 8 and name HN) 2.300 0.500 0.500
assign (resid 22 and name HB) (resid 23 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (71 viol avg 0.080)
assign (resid 8 and name HB*) (resid 8 and name HN) 2.300 0.500 0.500
assign (resid 64 and name HN) (resid 63 and name HA) 2.300 0.500 0.500
!assign (resid 27 and name HN) (resid 28 and name HA*) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (100 viol avg 0.668)
assign (resid 53 and name HN) (resid 53 and name HG**) 3.400 1.600 1.600
assign (resid 13 and name HB*) (resid 13 and name HN) 2.900 1.100 1.100
assign (resid 35 and name HA) (resid 39 and name HN) 2.900 1.100 1.100
assign (resid 7 and name HB*) (resid 8 and name HN) 2.900 1.100 1.100
assign (resid 57 and name HN) (resid 58 and name HN) 2.300 0.500 0.500
assign ((resid 55 and name HG*) or (resid 52 and name HG2*))
(resid 56 and name HN)
2.900 1.100 1.100
assign (resid 52 and name HB) (resid 52 and name HN) 2.900 1.100 1.100
assign (resid 42 and name HA*) (resid 43 and name HN) 2.900 1.100 1.100
assign ((resid 24 and name HA) or (resid 26 and name HA))
(resid 25 and name HN)
2.900 1.100 1.100
!assign (resid 51 and name HN) (resid 51 and name HZ3) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign (resid 13 and name HA) (resid 13 and name HN) 2.900 1.100 1.100
assign (resid 51 and name HN) (resid 51 and name HB*) 2.900 1.100 1.100
assign (resid 42 and name HN) (resid 43 and name HN) 2.900 1.100 1.100
assign (resid 49 and name HG**) (resid 50 and name HN) 3.400 1.600 1.600
assign (resid 49 and name HG**) (resid 49 and name HN) 2.900 1.100 1.100
assign (resid 25 and name HE*) (resid 24 and name HE1) 3.400 1.600 1.600
assign (resid 46 and name HA) (resid 46 and name HD2*) 3.400 1.600 1.600
assign (resid 21 and name HN) (resid 22 and name HN) 2.900 1.100 1.100
assign (resid 26 and name HN) (resid 25 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (83 viol avg 0.512)
assign (resid 26 and name HN) (resid 23 and name HA) 2.900 1.100 1.100
assign (resid 20 and name HN) (resid 19 and name HB*) 2.900 1.100 1.100
assign ((resid 36 and name HB*) or (resid 32 and name HB*))
(resid 33 and name HN)
2.900 1.100 1.100
assign (resid 9 and name HN) (resid 10 and name HB*) 3.400 1.600 1.600
assign (resid 57 and name HB*) (resid 57 and name HN) 2.300 0.500 0.500
assign (resid 12 and name HN)
((resid 13 and name HN) or (resid 11 and name HN))
2.900 1.100 1.100
assign (resid 44 and name HN) (resid 44 and name HA) 2.300 0.500 0.500
assign (resid 30 and name HD**) (resid 29 and name HN) 3.400 1.600 1.600
assign (resid 42 and name HN) (resid 38 and name HA) 3.400 1.600 1.600
assign (resid 34 and name HN) (resid 34 and name HB) 2.900 1.100 1.100
assign (resid 43 and name HN) (resid 43 and name HA) 2.900 1.100 1.100
assign (resid 38 and name HB) (resid 39 and name HN) 2.900 1.100 1.100
assign (resid 51 and name HE1) (resid 55 and name HH**) 3.400 1.600 1.600
assign (resid 51 and name HE1) (resid 51 and name HH2) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (100 viol avg 0.972)
assign (resid 50 and name HA) (resid 51 and name HN) 2.900 1.100 1.100
assign (resid 61 and name HB*) (resid 61 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HE) (resid 55 and name HH**) 2.900 1.100 1.100
assign (resid 26 and name HA) (resid 27 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (80 viol avg 0.144)
assign (resid 6 and name HB*) (resid 7 and name HN) 3.400 1.600 1.600
assign (resid 59 and name HA) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 13 and name HB*) (resid 14 and name HN) 3.400 1.600 1.600
!assign (resid 46 and name HN) (resid 47 and name HA*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (29 viol avg 0.354)
assign (resid 48 and name HN) (resid 47 and name HN) 2.900 1.100 1.100
assign ((resid 31 and name HB) or (resid 32 and name HG*))
(resid 33 and name HN)
2.900 1.100 1.100
assign (resid 39 and name HB*) (resid 39 and name HN) 2.900 1.100 1.100
assign ((resid 41 and name HN) or (resid 47 and name HN))
(resid 45 and name HN)
2.900 1.100 1.100 ! incr to 4.0 after round 1. (50 viol avg 1.249)
assign (resid 60 and name HA) (resid 60 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (65 viol avg 0.094)
!assign (resid 47 and name HN) (resid 50 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (83 viol avg 1.635)
assign (resid 21 and name HN) (resid 21 and name HB*) 2.900 1.100 1.100
assign (resid 40 and name HD**) (resid 44 and name HN) 3.900 2.100 2.100
assign (resid 17 and name HN) (resid 17 and name HA) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 30 and name HN) 3.400 1.600 1.600
assign ((resid 10 and name HB*) or (resid 11 and name HB*))
(resid 13 and name HN)
3.400 1.600 1.600
assign (resid 24 and name HB*) (resid 25 and name HN) 3.400 1.600 1.600
assign (resid 52 and name HB) (resid 56 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 2. (54 viol avg 1.033)
assign (resid 63 and name HN) (resid 62 and name HB*) 2.900 1.100 1.100
assign (resid 29 and name HN) (resid 28 and name HN) 2.900 1.100 1.100
assign (resid 22 and name HB) (resid 22 and name HN) 2.900 1.100 1.100
assign (resid 20 and name HA) (resid 23 and name HN) 3.400 1.600 1.600
assign (resid 41 and name HN) (resid 43 and name HN) 3.400 1.600 1.600
assign (resid 39 and name HA) (resid 40 and name HN) 2.900 1.100 1.100
assign (resid 48 and name HN) (resid 48 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (71 viol avg 0.268)
!assign (resid 55 and name HG*) (resid 58 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (55 viol avg 0.620)
assign (resid 51 and name HE1) (resid 51 and name HB*) 3.400 1.600 1.600
assign (resid 28 and name HN) (resid 28 and name HA*) 2.300 0.500 0.500
assign (resid 30 and name HN) (resid 30 and name HG) 2.900 1.100 1.100
assign (resid 39 and name HD*) (resid 39 and name HN) 3.400 1.600 1.600
assign (resid 42 and name HN) (resid 41 and name HB*) 2.900 1.100 1.100
assign (resid 7 and name HB*) (resid 7 and name HN) 2.900 1.100 1.100
assign (resid 42 and name HN) (resid 41 and name HN) 2.900 1.100 1.100
assign (resid 57 and name HG*) (resid 57 and name HN) 2.900 1.100 1.100
assign (resid 47 and name HN) (resid 48 and name HB*) 3.400 1.600 1.600
assign (resid 25 and name HN) (resid 23 and name HN) 3.400 1.600 1.600
assign (resid 31 and name HN) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 20 and name HN) (resid 20 and name HB*) 2.300 0.500 0.500
!assign ((resid 31 and name HA) or (resid 27 and name HB*))
! (resid 30 and name HN)
! 3.400 1.600 1.600 ! incr to 5.0 after round 6. (92 viol avg 0.283)
!assign (resid 38 and name HN) (resid 34 and name HG1*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid 53 and name HN) (resid 54 and name HB*) 3.400 1.600 1.600
assign (resid 49 and name HN) (resid 48 and name HA) 2.900 1.100 1.100
assign (resid 25 and name HD*) (resid 25 and name HN) 2.300 0.500 0.500
assign (resid 15 and name HB*) (resid 15 and name HD2*) 3.400 1.600 1.600
!assign (resid 51 and name HE1) (resid 50 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 2. (69 viol avg 1.504)
assign (resid 49 and name HN) (resid 49 and name HB) 2.900 1.100 1.100
assign (resid 24 and name HD1) (resid 23 and name HN) 3.400 1.600 1.600
assign (resid 28 and name HN) (resid 26 and name HN) 3.400 1.600 1.600
assign (resid 38 and name HN) (resid 37 and name HA) 2.900 1.100 1.100
assign (resid 58 and name HA*) (resid 57 and name HN) 3.400 1.600 1.600
assign (resid 18 and name HB*) (resid 18 and name HN) 2.900 1.100 1.100
assign (resid 3 and name HB*) (resid 3 and name HN) 3.400 1.600 1.600
assign (resid 24 and name HN) (resid 23 and name HN) 2.900 1.100 1.100
assign (resid 22 and name HG2*) (resid 23 and name HN) 3.400 1.600 1.600
assign (resid 50 and name HN) (resid 49 and name HA) 2.900 1.100 1.100
assign (resid 30 and name HD**) (resid 29 and name HN) 3.400 1.600 1.600
assign (resid 25 and name HG*) (resid 24 and name HE1) 3.400 1.600 1.600
assign (resid 42 and name HN)
((resid 39 and name HA) or (resid 43 and name HB))
3.400 1.600 1.600
assign (resid 37 and name HB*) (resid 38 and name HN) 2.900 1.100 1.100
assign (resid 22 and name HN) (resid 21 and name HD*) 3.400 1.600 1.600
assign (resid 63 and name HN) (resid 64 and name HN) 2.900 1.100 1.100
!assign (resid 26 and name HB*) (resid 23 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (72 viol avg 0.225)
assign (resid 54 and name HB*) (resid 55 and name HN) 2.900 1.100 1.100
assign (resid 20 and name HN) (resid 21 and name HN) 2.900 1.100 1.100
assign (resid 59 and name HN) (resid 59 and name HD2) 2.900 1.100 1.100
assign (resid 32 and name HG*) (resid 33 and name HN) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 40 and name HN) 3.400 1.600 1.600
assign (resid 24 and name HN) (resid 22 and name HN) 2.900 1.100 1.100
assign (resid 21 and name HB*) (resid 22 and name HN) 2.900 1.100 1.100
assign (resid 38 and name HA) (resid 39 and name HN) 3.400 1.600 1.600
assign (resid 31 and name HN) (resid 31 and name HG1*) 2.900 1.100 1.100
assign (resid 9 and name HN) (resid 8 and name HN) 2.300 0.500 0.500
assign (resid 33 and name HN) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 24 and name HE1) (resid 22 and name HA) 2.900 1.100 1.100
assign (resid 18 and name HA) (resid 18 and name HN) 2.900 1.100 1.100
assign (resid 38 and name HA) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 48 and name HD**) (resid 48 and name HN) 2.900 1.100 1.100
assign (resid 37 and name HA) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 63 and name HN) (resid 63 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (50 viol avg 0.089)
assign ((resid 56 and name HN) or (resid 50 and name HN))
(resid 52 and name HN)
3.900 2.100 2.100 ! incr to 6.0 after round 5. (64 viol avg 0.482)
assign (resid 41 and name HA) (resid 43 and name HN) 2.900 1.100 1.100
assign (resid 58 and name HA*) (resid 62 and name HN) 3.400 1.600 1.600
assign (resid 19 and name HA) (resid 19 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (51 viol avg 0.119)
!assign (resid 56 and name HN) (resid 57 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (68 viol avg 0.134)
assign (resid 55 and name HE) (resid 51 and name HZ2) 3.400 1.600 1.600
assign (resid 9 and name HB*) (resid 9 and name HN) 2.900 1.100 1.100
assign ((resid 56 and name HD*) or (resid 57 and name HD*))
(resid 58 and name HN)
3.400 1.600 1.600 ! incr to 5.0 after round 9. (76 viol avg 0.204)
assign (resid 14 and name HN) (resid 13 and name HN) 2.900 1.100 1.100
assign (resid 48 and name HD**) (resid 51 and name HE1) 3.900 2.100 2.100
!assign (resid 48 and name HN) (resid 51 and name HE1) 3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid 46 and name HN) (resid 46 and name HB*) 2.900 1.100 1.100
assign (resid 29 and name HN) (resid 28 and name HA*) 2.900 1.100 1.100 ! incr to 4.0 after round 14. (43 viol avg 0.084)
assign (resid 59 and name HA) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 31 and name HA) (resid 31 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (100 viol avg 0.140)
assign (resid 64 and name HB*) (resid 64 and name HN) 2.900 1.100 1.100
assign (resid 41 and name HD**) (resid 41 and name HN) 3.400 1.600 1.600
assign (resid 25 and name HN) (resid 24 and name HN) 2.900 1.100 1.100
assign (resid 17 and name HB*) (resid 18 and name HN) 2.900 1.100 1.100
assign (resid 23 and name HN) (resid 22 and name HN) 2.900 1.100 1.100
assign (resid 34 and name HN) (resid 34 and name HG1*) 2.900 1.100 1.100
assign (resid 55 and name HG*) (resid 55 and name HH**) 3.400 1.600 1.600
assign (resid 55 and name HB*) (resid 55 and name HE) 2.900 1.100 1.100
assign (resid 40 and name HB*) (resid 41 and name HN) 2.900 1.100 1.100
!assign (resid 55 and name HG*) (resid 51 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (64 viol avg 1.750)
assign (resid 41 and name HA) (resid 41 and name HN) 2.900 1.100 1.100
!assign (resid 17 and name HB*) (resid 16 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (58 viol avg 0.156)
assign (resid 46 and name HN)
((resid 43 and name HN) or (resid 44 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 14. (30 viol avg 0.081)
assign (resid 57 and name HG*) (resid 56 and name HN) 2.900 1.100 1.100
assign (resid 34 and name HB) (resid 35 and name HN) 2.900 1.100 1.100
assign (resid 52 and name HA) (resid 52 and name HN) 2.900 1.100 1.100
assign (resid 58 and name HA*) (resid 60 and name HN) 3.400 1.600 1.600
assign (resid 6 and name HB*) (resid 7 and name HN) 2.900 1.100 1.100
assign (resid 7 and name HN) (resid 8 and name HN) 2.300 0.500 0.500
assign (resid 41 and name HB*) (resid 41 and name HN) 2.900 1.100 1.100
assign (resid 22 and name HG2*) (resid 22 and name HN) 3.400 1.600 1.600
assign (resid 23 and name HN) (resid 23 and name HA) 2.900 1.100 1.100
assign (resid 28 and name HN) (resid 30 and name HG) 3.900 2.100 2.100 ! incr to 6.0 after round 10. (88 viol avg 0.118)
assign (resid 28 and name HN) (resid 27 and name HN) 2.900 1.100 1.100
assign (resid 23 and name HN) (resid 22 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (81 viol avg 0.143)
assign (resid 48 and name HN) (resid 47 and name HN) 2.900 1.100 1.100
assign (resid 14 and name HB*) (resid 14 and name HN) 2.900 1.100 1.100
assign (resid 5 and name HN) (resid 5 and name HA*) 2.900 1.100 1.100
assign (resid 55 and name HE) (resid 55 and name HH**) 2.900 1.100 1.100
assign (resid 29 and name HB*) (resid 28 and name HN) 3.400 1.600 1.600
assign (resid 53 and name HG**) (resid 54 and name HN) 3.400 1.600 1.600
assign (resid 17 and name HN) (resid 18 and name HN) 2.300 0.500 0.500
assign (resid 42 and name HN) (resid 41 and name HN) 2.900 1.100 1.100
assign (resid 9 and name HB*) (resid 9 and name HN) 2.300 0.500 0.500
assign (resid 55 and name HB*) (resid 51 and name HE1) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (25 viol avg 0.391)
assign (resid 7 and name HA) (resid 7 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 13. (33 viol avg 0.098)
!assign (resid 20 and name HN) (resid 23 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 5. (50 viol avg 0.528)
assign (resid 25 and name HN) (resid 25 and name HA) 2.900 1.100 1.100
assign (resid 46 and name HB*) (resid 46 and name HD2*) 2.900 1.100 1.100
assign (resid 54 and name HA) (resid 55 and name HN) 2.900 1.100 1.100
assign (resid 29 and name HA) (resid 29 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (94 viol avg 0.142)
assign (resid 39 and name HB*) (resid 39 and name HN) 2.900 1.100 1.100
assign (resid 6 and name HB*) (resid 6 and name HN) 2.900 1.100 1.100
assign (resid 16 and name HB*) (resid 16 and name HN) 2.300 0.500 0.500
assign (resid 61 and name HN) (resid 62 and name HN) 2.900 1.100 1.100
assign (resid 55 and name HA) (resid 55 and name HN) 2.900 1.100 1.100
!assign (resid 34 and name HN) (resid 31 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (99 viol avg 0.697)
assign (resid 50 and name HN) (resid 50 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 17. (25 viol avg 0.103)
assign (resid 59 and name HA) (resid 58 and name HN) 3.400 1.600 1.600
assign (resid 36 and name HN) (resid 36 and name HG*) 2.900 1.100 1.100
assign (resid 42 and name HN) (resid 42 and name HA*) 2.900 1.100 1.100
assign (resid 57 and name HA) (resid 57 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 16. (25 viol avg 0.059)
assign (resid 37 and name HB*) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 10 and name HA) (resid 11 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 12. (27 viol avg 0.188)
assign (resid 21 and name HN) (resid 21 and name HD*) 3.400 1.600 1.600
assign (resid 2 and name HA) (resid 3 and name HN) 2.900 1.100 1.100
assign (resid 24 and name HB*) (resid 24 and name HN) 2.900 1.100 1.100
assign (resid 44 and name HG2*) (resid 45 and name HN) 3.400 1.600 1.600
assign (resid 48 and name HN) (resid 47 and name HA*) 2.900 1.100 1.100
assign (resid 46 and name HB*) (resid 46 and name HD2*) 2.900 1.100 1.100
assign (resid 45 and name HN) (resid 44 and name HN) 2.900 1.100 1.100
assign (resid 36 and name HB*) (resid 36 and name HN) 2.900 1.100 1.100
assign (resid 35 and name HN) (resid 35 and name HD*) 3.400 1.600 1.600
assign (resid 4 and name HA*) (resid 4 and name HN) 2.900 1.100 1.100
assign (resid 53 and name HN)
((resid 54 and name HD*) or (resid 51 and name HH2))
3.400 1.600 1.600
assign (resid 46 and name HN) (resid 47 and name HN) 2.900 1.100 1.100
assign (resid 19 and name HB*) (resid 19 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 15. (28 viol avg 0.071)
assign (resid 52 and name HN) (resid 51 and name HE3) 3.900 2.100 2.100 ! incr to 6.0 after round 17. (27 viol avg 0.119)
assign (resid 26 and name HB*) (resid 27 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (56 viol avg 0.881)
assign (resid 30 and name HN) (resid 34 and name HD1*) 3.900 2.100 2.100 ! incr to 6.0 after round 14. (33 viol avg 0.143)
assign (resid 47 and name HN) (resid 47 and name HA*) 2.900 1.100 1.100
assign (resid 56 and name HN) (resid 55 and name HN) 2.900 1.100 1.100
assign (resid 50 and name HN) (resid 49 and name HN) 2.900 1.100 1.100
assign (resid 7 and name HB*) (resid 7 and name HN) 2.900 1.100 1.100
assign (resid 15 and name HB*) (resid 15 and name HD2*) 3.400 1.600 1.600
assign (resid 36 and name HN) (resid 35 and name HA) 2.900 1.100 1.100
assign (resid 3 and name HB*) (resid 4 and name HN) 3.400 1.600 1.600
assign (resid 50 and name HN)
((resid 51 and name HA) or (resid 46 and name HA))
3.400 1.600 1.600
assign (resid 50 and name HN) (resid 51 and name HN) 2.900 1.100 1.100
assign (resid 17 and name HN) (resid 15 and name HA) 2.900 1.100 1.100
assign ((resid 49 and name HN) or (resid 53 and name HN))
(resid 50 and name HA)
2.900 1.100 1.100 ! incr to 5.0 after round 3. (68 viol avg 0.639)
assign (resid 37 and name HD**) (resid 37 and name HN) 2.900 1.100 1.100
assign (resid 14 and name HA) (resid 13 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (52 viol avg 0.186)
assign (resid 48 and name HN) (resid 45 and name HN) 3.400 1.600 1.600
assign (resid 49 and name HN) (resid 51 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (29 viol avg 0.265)
assign (resid 60 and name HD2) (resid 60 and name HN) 2.900 1.100 1.100
assign (resid 51 and name HN) (resid 51 and name HA) 2.900 1.100 1.100
assign (resid 23 and name HB*) (resid 23 and name HN) 2.900 1.100 1.100
assign (resid 12 and name HN) (resid 13 and name HN) 2.900 1.100 1.100
assign (resid 45 and name HA*) (resid 45 and name HN) 2.300 0.500 0.500
assign (resid 56 and name HN) (resid 56 and name HD*) 2.900 1.100 1.100
assign (resid 18 and name HN) (resid 17 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (54 viol avg 0.611)
assign (resid 40 and name HD**) (resid 40 and name HN) 3.400 1.600 1.600
assign (resid 50 and name HB*) (resid 51 and name HN) 2.900 1.100 1.100
assign (resid 48 and name HA) (resid 48 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (69 viol avg 0.117)
assign (resid 42 and name HA*) (resid 41 and name HN) 2.900 1.100 1.100
assign (resid 42 and name HN) (resid 43 and name HN) 2.900 1.100 1.100
assign (resid 14 and name HB*) (resid 10 and name HN) 3.400 1.600 1.600
assign ((resid 41 and name HD**) or (resid 48 and name HD**))
(resid 45 and name HN)
3.900 2.100 2.100
assign (resid 21 and name HN) (resid 21 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (88 viol avg 0.146)
assign (resid 51 and name HE1) (resid 47 and name HA*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 16
assign (resid 33 and name HN) (resid 32 and name HA) 2.900 1.100 1.100
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