NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21634 |
2htg   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! --------------------------------------------------------------------------
! i +/- 1 contacts
! =========== i+1 contacts to residue 1 ============
assign ((resid 1 and name HD2 and segid A) OR (resid 1 and name HD2 and segid B))
((resid 2 and name HG2* and segid A) OR (resid 2 and name HG2* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (18 viol avg 0.436)
assign ((resid 1 and name HD2 and segid A) OR (resid 1 and name HD2 and segid B))
((resid 2 and name HD1* and segid A) OR (resid 2 and name HD1* and segid B))
2.300 0.500 0.500
! =========== i+1 contacts to residue 2 ============
assign ((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
((resid 2 and name HB and segid A) OR (resid 2 and name HB and segid B))
2.300 0.500 0.500
assign ((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
((resid 2 and name HA and segid A) OR (resid 2 and name HA and segid B))
2.300 0.500 0.500
assign ((resid 2 and name HA and segid A) OR (resid 2 and name HA and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 2 and name HG1* and segid A) OR (resid 2 and name HG1* and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 0.730)
assign ((resid 2 and name HB and segid A) OR (resid 2 and name HB and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.300 0.500 0.500
! =========== i+1 contacts to residue 3 ============
assign ((resid 3 and name HB* and segid A) OR (resid 3 and name HB* and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 3 and name HB* and segid A) OR (resid 3 and name HB* and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HA and segid A) OR (resid 4 and name HA and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (27 viol avg 0.182)
assign ((resid 3 and name HA and segid A) OR (resid 3 and name HA and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (11 viol avg 0.185)
assign ((resid 4 and name HB* and segid A) OR (resid 4 and name HB* and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.184)
assign ((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.363)
assign ((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.363)
assign ((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
((resid 3 and name HB* and segid A) OR (resid 3 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
((resid 3 and name HB* and segid A) OR (resid 3 and name HB* and segid B))
2.300 0.500 0.500
! =========== i+1 contacts to residue 4 ============
assign ((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HA and segid A) OR (resid 4 and name HA and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (34 viol avg 0.175)
assign ((resid 4 and name HA and segid A) OR (resid 4 and name HA and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (34 viol avg 0.175)
assign ((resid 4 and name HB* and segid A) OR (resid 4 and name HB* and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HB* and segid A) OR (resid 4 and name HB* and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HB* and segid A) OR (resid 4 and name HB* and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HB* and segid A) OR (resid 4 and name HB* and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
2.300 0.500 0.500
assign ((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
2.300 0.500 0.500
assign ((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
((resid 4 and name HB* and segid A) OR (resid 4 and name HB* and segid B))
2.300 0.500 0.500
! =========== i+1 contacts to residue 5 ============
! =========== i+1 contacts to residue 6 ============
assign ((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B))
((resid 6 and name HA and segid A) OR (resid 6 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (29 viol avg 0.231)
! =========== i+1 contacts to residue 7 ============
assign ((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
((resid 8 and name HN and segid A) OR (resid 8 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 8 and name HA and segid A) OR (resid 8 and name HA and segid B))
((resid 7 and name HD2 and segid A) OR (resid 7 and name HD2 and segid B))
3.900 2.100 2.100 ! still violating at 6.0 after round 9. (13 viol avg 0.143)
assign ((resid 8 and name HN and segid A) OR (resid 8 and name HN and segid B))
((resid 7 and name HD2 and segid A) OR (resid 7 and name HD2 and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (17 viol avg 0.215)
assign ((resid 8 and name HN and segid A) OR (resid 8 and name HN and segid B))
((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
2.900 1.100 1.100
! =========== i+1 contacts to residue 8 ============
assign ((resid 8 and name HA and segid A) OR (resid 8 and name HA and segid B))
((resid 9 and name HN and segid A) OR (resid 9 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (21 viol avg 0.153)
assign ((resid 8 and name HA and segid A) OR (resid 8 and name HA and segid B))
((resid 9 and name HN and segid A) OR (resid 9 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (21 viol avg 0.153)
assign ((resid 9 and name HN and segid A) OR (resid 9 and name HN and segid B))
((resid 8 and name HA and segid A) OR (resid 8 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (21 viol avg 0.153)
assign ((resid 9 and name HN and segid A) OR (resid 9 and name HN and segid B))
((resid 8 and name HB and segid A) OR (resid 8 and name HB and segid B))
2.900 1.100 1.100
! =========== i+1 contacts to residue 9 ============
assign ((resid 9 and name HA and segid A) OR (resid 9 and name HA and segid B))
((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 9. (5 viol avg 0.074)
! =========== i+1 contacts to residue 10 ============
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (18 viol avg 0.218)
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (21 viol avg 0.436)
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.157)
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
2.300 0.500 0.500
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 1. (34 viol avg 0.879)
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (20 viol avg 0.383)
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.478)
! =========== i+1 contacts to residue 11 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 6. (7 viol avg 0.117)
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.294)
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.294)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.332)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.332)
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
((resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 4. (18 viol avg 0.268)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
2.900 1.100 1.100
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (30 viol avg 0.662)
! =========== i+1 contacts to residue 12 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
3.400 1.600 1.600
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
2.300 0.500 0.500
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
2.300 0.500 0.500
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 6. (13 viol avg 0.095)
! =========== i+1 contacts to residue 13 ============
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
2.300 0.500 0.500
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
2.300 0.500 0.500
! =========== i+1 contacts to residue 14 ============
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (22 viol avg 0.159)
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (22 viol avg 0.159)
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
((resid 15 and name HD** and segid A) OR (resid 15 and name HD** and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 8. (7 viol avg 0.084)
! =========== i+1 contacts to residue 15 ============
! =========== i+1 contacts to residue 16 ============
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.467)
assign ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (41 viol avg 0.220)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (37 viol avg 0.391)
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (37 viol avg 0.391)
! =========== i+1 contacts to residue 17 ============
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 0.677)
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
2.300 0.500 0.500
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 1. (43 viol avg 0.709)
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.900 1.100 1.100
! =========== i+1 contacts to residue 18 ============
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (32 viol avg 0.158)
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
2.900 1.100 1.100
! =========== i+1 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (17 viol avg 0.204)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (22 viol avg 0.742)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (22 viol avg 0.742)
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (43 viol avg 0.441)
! =========== i+1 contacts to residue 20 ============
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 5. (44 viol avg 0.075)
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 5. (44 viol avg 0.075)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (23 viol avg 0.168)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.143)
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
2.900 1.100 1.100
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
! =========== i+1 contacts to residue 21 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (39 viol avg 0.262)
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.656)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (15 viol avg 0.465)
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
2.300 0.500 0.500
! =========== i+1 contacts to residue 22 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (31 viol avg 0.217)
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (33 viol avg 0.170)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (24 viol avg 0.431)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
2.900 1.100 1.100
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 1. (43 viol avg 1.011)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
2.900 1.100 1.100
! =========== i+1 contacts to residue 23 ============
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.129)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.360)
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.360)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.129)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.129)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 6. (7 viol avg 0.071)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 6. (7 viol avg 0.071)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.360)
! =========== i+1 contacts to residue 24 ============
assign ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.174)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.350)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.350)
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.174)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (40 viol avg 0.369)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (40 viol avg 0.369)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.350)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
2.300 0.500 0.500
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
2.300 0.500 0.500
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (40 viol avg 0.369)
! =========== i+1 contacts to residue 25 ============
assign ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (27 viol avg 0.840)
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
2.900 1.100 1.100
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (11 viol avg 0.154)
! =========== i+1 contacts to residue 26 ============
assign ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 1. (35 viol avg 0.779)
! =========== i+1 contacts to residue 27 ============
! --------------------------------------------------------------------------
! i +/- 2 contacts
! =========== i+2 contacts to residue 1 ============
assign ((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
((resid 1 and name HB* and segid A) OR (resid 1 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
((resid 1 and name HB* and segid A) OR (resid 1 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 1 and name HB* and segid A) OR (resid 1 and name HB* and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.300 0.500 0.500
assign ((resid 3 and name HA and segid A) OR (resid 3 and name HA and segid B))
((resid 1 and name HD2 and segid A) OR (resid 1 and name HD2 and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (16 viol avg 0.360)
assign ((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
((resid 1 and name HD2 and segid A) OR (resid 1 and name HD2 and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (16 viol avg 0.211)
assign ((resid 1 and name HB* and segid A) OR (resid 1 and name HB* and segid B))
((resid 3 and name HB* and segid A) OR (resid 3 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.471)
! =========== i+2 contacts to residue 2 ============
assign ((resid 2 and name HB and segid A) OR (resid 2 and name HB and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (22 viol avg 0.843)
assign ((resid 2 and name HB and segid A) OR (resid 2 and name HB and segid B))
((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
2.300 0.500 0.500
assign ((resid 2 and name HB and segid A) OR (resid 2 and name HB and segid B))
((resid 4 and name HG* and segid A) OR (resid 4 and name HG* and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
((resid 2 and name HD1* and segid A) OR (resid 2 and name HD1* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.248)
! =========== i+2 contacts to residue 3 ============
assign ((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.143)
assign ((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.143)
assign ((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.143)
assign ((resid 3 and name HD2* and segid A) OR (resid 3 and name HD2* and segid B))
((resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 9. (5 viol avg 0.078)
! =========== i+2 contacts to residue 4 ============
assign ((resid 6 and name HN and segid A) OR (resid 6 and name HN and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.553)
! =========== i+2 contacts to residue 5 ============
! =========== i+2 contacts to residue 6 ============
! =========== i+2 contacts to residue 7 ============
assign ((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
((resid 9 and name HN and segid A) OR (resid 9 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (24 viol avg 0.447)
! =========== i+2 contacts to residue 8 ============
! =========== i+2 contacts to residue 9 ============
! =========== i+2 contacts to residue 10 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (30 viol avg 0.591)
! =========== i+2 contacts to residue 11 ============
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.470)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (15 viol avg 0.210)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.470)
! =========== i+2 contacts to residue 12 ============
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.390)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.390)
! =========== i+2 contacts to residue 13 ============
! =========== i+2 contacts to residue 14 ============
! =========== i+2 contacts to residue 15 ============
! =========== i+2 contacts to residue 16 ============
! =========== i+2 contacts to residue 17 ============
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.524)
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (33 viol avg 0.805)
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (33 viol avg 0.805)
! =========== i+2 contacts to residue 18 ============
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.298)
! =========== i+2 contacts to residue 19 ============
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (22 viol avg 0.404)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.380)
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.380)
! =========== i+2 contacts to residue 20 ============
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.545)
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.455)
! =========== i+2 contacts to residue 21 ============
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (35 viol avg 0.783)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
2.900 1.100 1.100
! =========== i+2 contacts to residue 22 ============
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.453)
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.453)
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.300)
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.300)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.428)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.300)
! =========== i+2 contacts to residue 23 ============
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.387)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (15 viol avg 0.363)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.387)
! =========== i+2 contacts to residue 24 ============
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.399)
assign ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.399)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.399)
! =========== i+2 contacts to residue 25 ============
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 1. (31 viol avg 0.793)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (28 viol avg 0.876)
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (28 viol avg 0.876)
! =========== i+2 contacts to residue 26 ============
! =========== i+2 contacts to residue 27 ============
! --------------------------------------------------------------------------
! i +/- 3 contacts
! =========== i+3 contacts to residue 1 ============
assign ((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
((resid 1 and name HD2 and segid A) OR (resid 1 and name HD2 and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (15 viol avg 0.234)
! =========== i+3 contacts to residue 2 ============
assign ((resid 5 and name HN and segid A) OR (resid 5 and name HN and segid B))
((resid 2 and name HB and segid A) OR (resid 2 and name HB and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (18 viol avg 0.436)
! =========== i+3 contacts to residue 3 ============
assign ((resid 3 and name HD2* and segid A) OR (resid 3 and name HD2* and segid B))
((resid 6 and name HD** and segid A) OR (resid 6 and name HD** and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.474)
! =========== i+3 contacts to residue 4 ============
assign ((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 7. (10 viol avg 0.122)
assign ((resid 4 and name HA and segid A) OR (resid 4 and name HA and segid B))
((resid 7 and name HD2 and segid A) OR (resid 7 and name HD2 and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.315)
assign ((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 4. (10 viol avg 0.313)
assign ((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
((resid 4 and name HB* and segid A) OR (resid 4 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HB* and segid A) OR (resid 4 and name HB* and segid B))
((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 4 and name HA and segid A) OR (resid 4 and name HA and segid B))
((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (12 viol avg 0.707)
! =========== i+3 contacts to residue 5 ============
! =========== i+3 contacts to residue 6 ============
! =========== i+3 contacts to residue 7 ============
assign ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B))
3.900 2.100 2.100 ! still violating at 6.0 after round 6. (8 viol avg 0.116)
assign ((resid 7 and name HD2 and segid A) OR (resid 7 and name HD2 and segid B))
((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (25 viol avg 0.429)
assign ((resid 7 and name HA and segid A) OR (resid 7 and name HA and segid B))
((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 1.058)
assign ((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B))
((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (23 viol avg 0.247)
! =========== i+3 contacts to residue 8 ============
assign ((resid 8 and name HA and segid A) OR (resid 8 and name HA and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (23 viol avg 0.827)
! =========== i+3 contacts to residue 9 ============
assign ((resid 9 and name HD** and segid A) OR (resid 9 and name HD** and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 2. (22 viol avg 0.684)
assign ((resid 9 and name HD** and segid A) OR (resid 9 and name HD** and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 2. (22 viol avg 0.684)
! =========== i+3 contacts to residue 10 ============
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
3.400 1.600 1.600
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (29 viol avg 0.272)
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
2.300 0.500 0.500
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
2.300 0.500 0.500
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
2.900 1.100 1.100
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
2.300 0.500 0.500
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
2.300 0.500 0.500
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
2.300 0.500 0.500
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.510)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.510)
! =========== i+3 contacts to residue 11 ============
! =========== i+3 contacts to residue 12 ============
! =========== i+3 contacts to residue 13 ============
! =========== i+3 contacts to residue 14 ============
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.480)
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
2.300 0.500 0.500
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.300 0.500 0.500
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
2.300 0.500 0.500
! =========== i+3 contacts to residue 15 ============
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (18 viol avg 0.522)
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
2.300 0.500 0.500
! =========== i+3 contacts to residue 16 ============
! =========== i+3 contacts to residue 17 ============
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.605)
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.709)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.349)
! =========== i+3 contacts to residue 18 ============
! =========== i+3 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (15 viol avg 0.517)
! =========== i+3 contacts to residue 20 ============
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.430)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.430)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.654)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
2.900 1.100 1.100
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.826)
! =========== i+3 contacts to residue 21 ============
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (28 viol avg 0.244)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.464)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.464)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.396)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.396)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
3.400 1.600 1.600
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (23 viol avg 0.963)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.396)
! =========== i+3 contacts to residue 22 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.582)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.391)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.223)
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.197)
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.582)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.843)
! =========== i+3 contacts to residue 23 ============
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (37 viol avg 0.866)
! =========== i+3 contacts to residue 24 ============
assign ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (19 viol avg 0.420)
assign ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (19 viol avg 0.420)
! =========== i+3 contacts to residue 25 ============
! =========== i+3 contacts to residue 26 ============
! =========== i+3 contacts to residue 27 ============
! --------------------------------------------------------------------------
! i +/- 4 contacts
! =========== i+4 contacts to residue 1 ============
! =========== i+4 contacts to residue 2 ============
! =========== i+4 contacts to residue 3 ============
! =========== i+4 contacts to residue 4 ============
! =========== i+4 contacts to residue 5 ============
! =========== i+4 contacts to residue 6 ============
! =========== i+4 contacts to residue 7 ============
assign ((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.266)
! =========== i+4 contacts to residue 8 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
((resid 8 and name HA and segid A) OR (resid 8 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.615)
! =========== i+4 contacts to residue 9 ============
! =========== i+4 contacts to residue 10 ============
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 4. (12 viol avg 0.207)
! =========== i+4 contacts to residue 11 ============
! =========== i+4 contacts to residue 12 ============
! =========== i+4 contacts to residue 13 ============
! =========== i+4 contacts to residue 14 ============
! =========== i+4 contacts to residue 15 ============
! =========== i+4 contacts to residue 16 ============
! =========== i+4 contacts to residue 17 ============
! =========== i+4 contacts to residue 18 ============
! =========== i+4 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 1. (32 viol avg 0.949)
! =========== i+4 contacts to residue 20 ============
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.369)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.369)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.438)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.438)
assign ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.438)
assign ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.438)
! =========== i+4 contacts to residue 21 ============
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.455)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.472)
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.455)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.421)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.353)
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (34 viol avg 0.977)
! =========== i+4 contacts to residue 22 ============
! =========== i+4 contacts to residue 23 ============
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.400)
! =========== i+4 contacts to residue 24 ============
! =========== i+4 contacts to residue 25 ============
! =========== i+4 contacts to residue 26 ============
! =========== i+4 contacts to residue 27 ============
! --------------------------------------------------------------------------
! i +/- 5 and longer contacts
! =========== i+5 or longer contacts to residue 1 ============
! =========== i+5 or longer contacts to residue 2 ============
! =========== i+5 or longer contacts to residue 3 ============
! =========== i+5 or longer contacts to residue 4 ============
! =========== i+5 or longer contacts to residue 5 ============
! =========== i+5 or longer contacts to residue 6 ============
! =========== i+5 or longer contacts to residue 7 ============
! =========== i+5 or longer contacts to residue 8 ============
! =========== i+5 or longer contacts to residue 9 ============
! =========== i+5 or longer contacts to residue 10 ============
! =========== i+5 or longer contacts to residue 11 ============
! =========== i+5 or longer contacts to residue 12 ============
! =========== i+5 or longer contacts to residue 13 ============
! =========== i+5 or longer contacts to residue 14 ============
! =========== i+5 or longer contacts to residue 15 ============
! =========== i+5 or longer contacts to residue 16 ============
! =========== i+5 or longer contacts to residue 17 ============
! =========== i+5 or longer contacts to residue 18 ============
! =========== i+5 or longer contacts to residue 19 ============
! =========== i+5 or longer contacts to residue 20 ============
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 3. (11 viol avg 0.439)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.298)
! =========== i+5 or longer contacts to residue 21 ============
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
3.900 2.100 2.100 ! still violating at 6.0 after round 7. (8 viol avg 0.140)
! =========== i+5 or longer contacts to residue 22 ============
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.568)
! =========== i+5 or longer contacts to residue 23 ============
! =========== i+5 or longer contacts to residue 24 ============
! =========== i+5 or longer contacts to residue 25 ============
! =========== i+5 or longer contacts to residue 26 ============
! =========== i+5 or longer contacts to residue 27 ============
! --------------------------------------------------------------------------
! Ambiguous NOEs
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR
(resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR
(resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.147)
assign ((resid 2 and name HD1* and segid A) OR (resid 2 and name HD1* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.210)
assign ((resid 2 and name HG2* and segid A) OR (resid 2 and name HG2* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 2 and name HG2* and segid A) OR (resid 2 and name HG2* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 6. (8 viol avg 0.068)
assign ((resid 2 and name HD1* and segid A) OR (resid 2 and name HD1* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (12 viol avg 0.182)
assign ((resid 2 and name HG2* and segid A) OR (resid 2 and name HG2* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
((resid 1 and name HE1 and segid A) OR (resid 1 and name HE1 and segid B))
2.300 0.500 0.500
assign ((resid 2 and name HD1* and segid A) OR (resid 2 and name HD1* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
((resid 1 and name HE1 and segid A) OR (resid 1 and name HE1 and segid B))
2.300 0.500 0.500
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.475)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B) OR
(resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.448)
assign ((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B) OR
(resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.448)
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR
(resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.237)
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR
(resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (38 viol avg 0.222)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR
(resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.338)
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B) OR
(resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 1. (32 viol avg 0.576)
assign ((resid 26 and name HE* and segid A) OR (resid 26 and name HE* and segid B) OR
(resid 27 and name HE* and segid A) OR (resid 27 and name HE* and segid B))
((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (26 viol avg 0.518)
assign ((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
((resid 9 and name HN and segid A) OR (resid 9 and name HN and segid B) OR
(resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (15 viol avg 0.335)
assign ((resid 5 and name HB* and segid A) OR (resid 5 and name HB* and segid B) OR
(resid 5 and name HG and segid A) OR (resid 5 and name HG and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (12 viol avg 0.368)
assign ((resid 5 and name HB* and segid A) OR (resid 5 and name HB* and segid B) OR
(resid 5 and name HG and segid A) OR (resid 5 and name HG and segid B))
((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (12 viol avg 0.368)
assign ((resid 5 and name HB* and segid A) OR (resid 5 and name HB* and segid B) OR
(resid 5 and name HG and segid A) OR (resid 5 and name HG and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 8. (8 viol avg 0.079)
assign ((resid 5 and name HB* and segid A) OR (resid 5 and name HB* and segid B) OR
(resid 5 and name HG and segid A) OR (resid 5 and name HG and segid B))
((resid 3 and name HN and segid A) OR (resid 3 and name HN and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 8. (8 viol avg 0.079)
assign ((resid 8 and name HB and segid A) OR (resid 8 and name HB and segid B) OR
(resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.675)
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B) OR
(resid 27 and name H2 and segid A) OR (resid 27 and name H2 and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (23 viol avg 0.539)
assign ((resid 8 and name HB and segid A) OR (resid 8 and name HB and segid B) OR
(resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
((resid 7 and name HD2 and segid A) OR (resid 7 and name HD2 and segid B))
3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.190)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B) OR
(resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
2.900 1.100 1.100
assign ((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B) OR
(resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.311)
assign ((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B) OR
(resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B) OR
(resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (30 viol avg 0.292)
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR
(resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.292)
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B) OR
(resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 1. (32 viol avg 0.576)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
assign ((resid 27 and name H1 and segid A) OR (resid 27 and name H1 and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.325)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR
(resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (25 viol avg 0.331)
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 4 and name HA and segid A) OR (resid 4 and name HA and segid B))
((resid 2 and name HG2* and segid A) OR (resid 2 and name HG2* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (35 viol avg 0.480)
assign ((resid 4 and name HA and segid A) OR (resid 4 and name HA and segid B))
((resid 2 and name HD1* and segid A) OR (resid 2 and name HD1* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
2.900 1.100 1.100
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.136)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.136)
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B) OR
(resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 4. (15 viol avg 0.399)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR
(resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
2.900 1.100 1.100
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR
(resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B) OR
(resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (25 viol avg 0.686)
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B) OR
(resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B) OR
(resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
2.900 1.100 1.100
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B) OR
(resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B) OR
(resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 5. (17 viol avg 0.160)
assign ((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
((resid 8 and name HB and segid A) OR (resid 8 and name HB and segid B) OR
(resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.378)
assign ((resid 8 and name HB and segid A) OR (resid 8 and name HB and segid B) OR
(resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
((resid 7 and name HB* and segid A) OR (resid 7 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.378)
assign ((resid 8 and name HB and segid A) OR (resid 8 and name HB and segid B) OR
(resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (45 viol avg 0.911)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR
(resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 2. (27 viol avg 0.679)
assign ((resid 26 and name HE* and segid A) OR (resid 26 and name HE* and segid B) OR
(resid 27 and name HE* and segid A) OR (resid 27 and name HE* and segid B))
((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.577)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 3. (25 viol avg 0.541)
assign ((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B) OR
(resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.282)
assign ((resid 7 and name HN and segid A) OR (resid 7 and name HN and segid B) OR
(resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
((resid 8 and name HB and segid A) OR (resid 8 and name HB and segid B) OR
(resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
3.400 1.600 1.600 ! incr to 5.0 after round 6. (16 viol avg 0.080)
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR
(resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
2.900 1.100 1.100
assign ((resid 4 and name HN and segid A) OR (resid 4 and name HN and segid B))
((resid 2 and name HG2* and segid A) OR (resid 2 and name HG2* and segid B) OR
(resid 5 and name HD** and segid A) OR (resid 5 and name HD** and segid B))
2.900 1.100 1.100 ! incr to 4.0 after round 6. (8 viol avg 0.068)
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