NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
24549 |
2k3c   |
15747 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! Autogenerated using SparkyNOEcal4.tcl from Sparky peak list: ! /Users/treddy/nmrdata/TMIXtclinput.list ! Intraresidue NOEs ! =========== Intraresidue contacts to residue 1 ============ assign (resid 1 and name HA) (resid 1 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.824 assign (resid 1 and name HA) (resid 1 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 7.866 assign (resid 1 and name HA) (resid 1 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.989 assign (resid 1 and name HA) (resid 1 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.287 assign (resid 1 and name HB*) (resid 1 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.261 assign (resid 1 and name HB*) (resid 1 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.960 assign (resid 1 and name HB*) (resid 1 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.551 assign (resid 1 and name HB*) (resid 1 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.954 assign (resid 1 and name HB*) (resid 1 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.954 assign (resid 1 and name HB*) (resid 1 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.984 assign (resid 1 and name HD*) (resid 1 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.465 assign (resid 1 and name HD*) (resid 1 and name HE*) 3.400 1.600 1.600 ! no changes - calc dist 4.629 assign (resid 1 and name HD*) (resid 1 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.128 assign (resid 1 and name HE*) (resid 1 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.134 assign (resid 1 and name HE*) (resid 1 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.386 assign (resid 1 and name HE*) (resid 1 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.548 assign (resid 1 and name HE*) (resid 1 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.233 assign (resid 1 and name HE*) (resid 1 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 2.957 assign (resid 1 and name HG*) (resid 1 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.810 assign (resid 1 and name HG*) (resid 1 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.749 assign (resid 1 and name HG*) (resid 1 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.837 ! assign (resid 1 and name HG*) (resid 1 and name HG*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 1 and name HG*) (resid 1 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.961 assign (resid 1 and name HG*) (resid 1 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.999 assign (resid 1 and name HG*) (resid 1 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.469 assign (resid 1 and name HG*) (resid 1 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.196 assign (resid 1 and name HG*) (resid 1 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.931 ! assign (resid 1 and name HG*) (resid 1 and name HG*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 1 and name HG*) (resid 1 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.636 assign (resid 1 and name HN) (resid 1 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.408 assign (resid 1 and name HN) (resid 1 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.082 assign (resid 1 and name HN) (resid 1 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.748 assign (resid 1 and name HN) (resid 1 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.270 assign (resid 1 and name HN) (resid 1 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.041 assign (resid 1 and name HN) (resid 1 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.822 ! =========== Intraresidue contacts to residue 2 ============ assign (resid 2 and name HA) (resid 2 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.908 assign (resid 2 and name HA) (resid 2 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.196 assign (resid 2 and name HA) (resid 2 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.050 assign (resid 2 and name HB*) (resid 2 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.483 ! assign (resid 2 and name HB*) (resid 2 and name HB*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 2 and name HB*) (resid 2 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.408 assign (resid 2 and name HB*) (resid 2 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.401 ! assign (resid 2 and name HB*) (resid 2 and name HB*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 2 and name HB*) (resid 2 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.062 assign (resid 2 and name HN) (resid 2 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.115 assign (resid 2 and name HN) (resid 2 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.927 assign (resid 2 and name HN) (resid 2 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.107 ! =========== Intraresidue contacts to residue 3 ============ assign (resid 3 and name HA) (resid 3 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.929 assign (resid 3 and name HA) (resid 3 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.233 assign (resid 3 and name HA) (resid 3 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (70 viol avg 0.519) assign (resid 3 and name HA) (resid 3 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.564 assign (resid 3 and name HB*) (resid 3 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.028 assign (resid 3 and name HB*) (resid 3 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.845 assign (resid 3 and name HB*) (resid 3 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.153 assign (resid 3 and name HB*) (resid 3 and name HE*) 3.900 2.100 2.100 ! shortened - calc dist 6.982 assign (resid 3 and name HB*) (resid 3 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.229 assign (resid 3 and name HD*) (resid 3 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.236 assign (resid 3 and name HD*) (resid 3 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.056 assign (resid 3 and name HD*) (resid 3 and name HE*) 3.900 2.100 2.100 ! no changes - calc dist 5.462 assign (resid 3 and name HD*) (resid 3 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.379 assign (resid 3 and name HE*) (resid 3 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.383 assign (resid 3 and name HE*) (resid 3 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.910 assign (resid 3 and name HE*) (resid 3 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.229 assign (resid 3 and name HE*) (resid 3 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.690 assign (resid 3 and name HN) (resid 3 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.606 assign (resid 3 and name HN) (resid 3 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.285 assign (resid 3 and name HN) (resid 3 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.497 assign (resid 3 and name HN) (resid 3 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.896 ! =========== Intraresidue contacts to residue 4 ============ assign (resid 4 and name HA) (resid 4 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.520 assign (resid 4 and name HA) (resid 4 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.790 assign (resid 4 and name HA) (resid 4 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.096 assign (resid 4 and name HA) (resid 4 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.323 assign (resid 4 and name HG*) (resid 4 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.937 assign (resid 4 and name HG*) (resid 4 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.109 ! assign (resid 4 and name HG*) (resid 4 and name HG*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 4 and name HG*) (resid 4 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.104 assign (resid 4 and name HG*) (resid 4 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.128 assign (resid 4 and name HG*) (resid 4 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.334 ! assign (resid 4 and name HG*) (resid 4 and name HG*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 4 and name HG*) (resid 4 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.270 assign (resid 4 and name HN) (resid 4 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.315 assign (resid 4 and name HN) (resid 4 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.147 assign (resid 4 and name HN) (resid 4 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.221 assign (resid 4 and name HN) (resid 4 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.349 ! =========== Intraresidue contacts to residue 5 ============ assign (resid 5 and name HA) (resid 5 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.462 assign (resid 5 and name HA) (resid 5 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.526 assign (resid 5 and name HB*) (resid 5 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.939 assign (resid 5 and name HB*) (resid 5 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.293 assign (resid 5 and name HN) (resid 5 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.497 assign (resid 5 and name HN) (resid 5 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.237 ! =========== Intraresidue contacts to residue 6 ============ assign (resid 6 and name HA) (resid 6 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.188 assign (resid 6 and name HA) (resid 6 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.528 assign (resid 6 and name HA) (resid 6 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (100 viol avg 0.410) assign (resid 6 and name HA) (resid 6 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.272 assign (resid 6 and name HB*) (resid 6 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.277 assign (resid 6 and name HB*) (resid 6 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.338 assign (resid 6 and name HB*) (resid 6 and name HE*) 3.900 2.100 2.100 ! shortened - calc dist 6.059 assign (resid 6 and name HB*) (resid 6 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.359 assign (resid 6 and name HD*) (resid 6 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.650 assign (resid 6 and name HD*) (resid 6 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.422 assign (resid 6 and name HD*) (resid 6 and name HE*) 3.900 2.100 2.100 ! no changes - calc dist 5.381 assign (resid 6 and name HD*) (resid 6 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.199 assign (resid 6 and name HE*) (resid 6 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.641 assign (resid 6 and name HE*) (resid 6 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.934 assign (resid 6 and name HE*) (resid 6 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.203 assign (resid 6 and name HE*) (resid 6 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (43 viol avg 0.115) assign (resid 6 and name HN) (resid 6 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.657 assign (resid 6 and name HN) (resid 6 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.422 assign (resid 6 and name HN) (resid 6 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.675 assign (resid 6 and name HN) (resid 6 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (43 viol avg 0.115) ! =========== Intraresidue contacts to residue 7 ============ assign (resid 7 and name HA) (resid 7 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.510 assign (resid 7 and name HA) (resid 7 and name HG) 3.900 2.100 2.100 ! no changes - calc dist 5.526 assign (resid 7 and name HA) (resid 7 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.446 assign (resid 7 and name HB*) (resid 7 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.345 assign (resid 7 and name HB*) (resid 7 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.874 assign (resid 7 and name HB*) (resid 7 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 6.398 assign (resid 7 and name HB*) (resid 7 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 6.063 assign (resid 7 and name HB*) (resid 7 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.378 assign (resid 7 and name HD**) (resid 7 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 9.990 assign (resid 7 and name HD**) (resid 7 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 10.080 assign (resid 7 and name HD**) (resid 7 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.339 assign (resid 7 and name HD**) (resid 7 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 9.489 assign (resid 7 and name HD**) (resid 7 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 9.199 assign (resid 7 and name HD**) (resid 7 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.989 assign (resid 7 and name HG) (resid 7 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.754 assign (resid 7 and name HG) (resid 7 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.368 assign (resid 7 and name HG) (resid 7 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.359 assign (resid 7 and name HG) (resid 7 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.586 assign (resid 7 and name HG) (resid 7 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.497 assign (resid 7 and name HN) (resid 7 and name HA) 2.300 0.500 0.500 ! no changes - calc dist 2.622 assign (resid 7 and name HN) (resid 7 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.355 assign (resid 7 and name HN) (resid 7 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 8.267 assign (resid 7 and name HN) (resid 7 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 8.267 assign (resid 7 and name HN) (resid 7 and name HG) 3.400 1.600 1.600 ! no changes - calc dist 4.840 ! =========== Intraresidue contacts to residue 8 ============ assign (resid 8 and name HA) (resid 8 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.315 assign (resid 8 and name HA) (resid 8 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.715 assign (resid 8 and name HA) (resid 8 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.299 assign (resid 8 and name HB*) (resid 8 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.935 ! assign (resid 8 and name HB*) (resid 8 and name HB*) 3.400 1.600 1.600 ! geminal protons with same pseudoatom name assign (resid 8 and name HB*) (resid 8 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.242 assign (resid 8 and name HB*) (resid 8 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.746 ! assign (resid 8 and name HB*) (resid 8 and name HB*) 3.400 1.600 1.600 ! geminal protons with same pseudoatom name assign (resid 8 and name HB*) (resid 8 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.917 assign (resid 8 and name HN) (resid 8 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.291 assign (resid 8 and name HN) (resid 8 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.216 assign (resid 8 and name HN) (resid 8 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.250 ! =========== Intraresidue contacts to residue 9 ============ assign (resid 9 and name HA) (resid 9 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.958 assign (resid 9 and name HA) (resid 9 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.414 assign (resid 9 and name HB*) (resid 9 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.649 assign (resid 9 and name HB*) (resid 9 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.206 assign (resid 9 and name HN) (resid 9 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.936 assign (resid 9 and name HN) (resid 9 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.004 ! =========== Intraresidue contacts to residue 10 ============ assign (resid 10 and name HA) (resid 10 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.288 assign (resid 10 and name HA) (resid 10 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.069 assign (resid 10 and name HA) (resid 10 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.053 assign (resid 10 and name HA) (resid 10 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.581 assign (resid 10 and name HB*) (resid 10 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.085 ! assign (resid 10 and name HB*) (resid 10 and name HB*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 10 and name HB*) (resid 10 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.932 assign (resid 10 and name HB*) (resid 10 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.394 assign (resid 10 and name HB*) (resid 10 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.522 ! assign (resid 10 and name HB*) (resid 10 and name HB*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 10 and name HB*) (resid 10 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.221 assign (resid 10 and name HB*) (resid 10 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.323 assign (resid 10 and name HG*) (resid 10 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.190 assign (resid 10 and name HG*) (resid 10 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.142 assign (resid 10 and name HG*) (resid 10 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.196 assign (resid 10 and name HG*) (resid 10 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.298 assign (resid 10 and name HN) (resid 10 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.366 assign (resid 10 and name HN) (resid 10 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.378 assign (resid 10 and name HN) (resid 10 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.355 assign (resid 10 and name HN) (resid 10 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.503 ! =========== Intraresidue contacts to residue 11 ============ assign (resid 11 and name HA) (resid 11 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.449 assign (resid 11 and name HA) (resid 11 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 9.510 assign (resid 11 and name HA) (resid 11 and name HD**) 3.400 1.600 1.600 ! no changes - calc dist 4.995 assign (resid 11 and name HA) (resid 11 and name HG) 3.900 2.100 2.100 ! no changes - calc dist 5.488 assign (resid 11 and name HA) (resid 11 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.519 assign (resid 11 and name HB*) (resid 11 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.179 assign (resid 11 and name HB*) (resid 11 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 6.175 assign (resid 11 and name HB*) (resid 11 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.580 assign (resid 11 and name HB*) (resid 11 and name HG) 3.900 2.100 2.100 ! no changes - calc dist 5.799 assign (resid 11 and name HB*) (resid 11 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.402 assign (resid 11 and name HD**) (resid 11 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.371 assign (resid 11 and name HD**) (resid 11 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 9.413 assign (resid 11 and name HD**) (resid 11 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 8.824 assign (resid 11 and name HD**) (resid 11 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.147 assign (resid 11 and name HD**) (resid 11 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.035 assign (resid 11 and name HD**) (resid 11 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 10.431 assign (resid 11 and name HD**) (resid 11 and name HG) 3.400 1.600 1.600 ! no changes - calc dist 4.499 assign (resid 11 and name HD**) (resid 11 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.833 assign (resid 11 and name HG) (resid 11 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.686 assign (resid 11 and name HG) (resid 11 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.090 assign (resid 11 and name HG) (resid 11 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.352 assign (resid 11 and name HG) (resid 11 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.196 assign (resid 11 and name HG) (resid 11 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.675 assign (resid 11 and name HN) (resid 11 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.267 assign (resid 11 and name HN) (resid 11 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.293 assign (resid 11 and name HN) (resid 11 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 8.339 assign (resid 11 and name HN) (resid 11 and name HD**) 3.400 1.600 1.600 ! no changes - calc dist 4.147 assign (resid 11 and name HN) (resid 11 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 6.182 ! =========== Intraresidue contacts to residue 12 ============ assign (resid 12 and name HA) (resid 12 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.200 assign (resid 12 and name HA) (resid 12 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.501 assign (resid 12 and name HA) (resid 12 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.367 assign (resid 12 and name HA) (resid 12 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 2. (99 viol avg 0.525) assign (resid 12 and name HA) (resid 12 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.401 assign (resid 12 and name HB*) (resid 12 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.359 assign (resid 12 and name HB*) (resid 12 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.402 assign (resid 12 and name HB*) (resid 12 and name HE*) 3.900 2.100 2.100 ! shortened - calc dist 7.699 assign (resid 12 and name HB*) (resid 12 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.649 assign (resid 12 and name HB*) (resid 12 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.462 assign (resid 12 and name HB*) (resid 12 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.422 assign (resid 12 and name HB*) (resid 12 and name HE*) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 1.076) assign (resid 12 and name HB*) (resid 12 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.142 assign (resid 12 and name HD*) (resid 12 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.889 assign (resid 12 and name HD*) (resid 12 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.425 assign (resid 12 and name HD*) (resid 12 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.010 assign (resid 12 and name HD*) (resid 12 and name HE*) 3.900 2.100 2.100 ! shortened - calc dist 10.222 assign (resid 12 and name HD*) (resid 12 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.591 assign (resid 12 and name HE*) (resid 12 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.375 assign (resid 12 and name HE*) (resid 12 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.256 assign (resid 12 and name HE*) (resid 12 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 1.076) assign (resid 12 and name HE*) (resid 12 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 9.279 assign (resid 12 and name HE*) (resid 12 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.754 assign (resid 12 and name HN) (resid 12 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.448 assign (resid 12 and name HN) (resid 12 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.823 assign (resid 12 and name HN) (resid 12 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.515 assign (resid 12 and name HN) (resid 12 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.599 assign (resid 12 and name HN) (resid 12 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.730 ! =========== Intraresidue contacts to residue 13 ============ assign (resid 13 and name HA) (resid 13 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.924 assign (resid 13 and name HA) (resid 13 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.791 assign (resid 13 and name HA) (resid 13 and name HD2) 3.400 1.600 1.600 ! no changes - calc dist 4.577 assign (resid 13 and name HA) (resid 13 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.114 assign (resid 13 and name HB*) (resid 13 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.126 ! assign (resid 13 and name HB*) (resid 13 and name HB*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 13 and name HB*) (resid 13 and name HD2) 2.900 1.100 1.100 ! incr to 4.0 after round 15. (73 viol avg 0.122) assign (resid 13 and name HB*) (resid 13 and name HD2) 2.900 1.100 1.100 ! no changes - calc dist 3.641 assign (resid 13 and name HB*) (resid 13 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.999 assign (resid 13 and name HB*) (resid 13 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.791 ! assign (resid 13 and name HB*) (resid 13 and name HB*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 13 and name HB*) (resid 13 and name HD2) 2.900 1.100 1.100 ! no changes - calc dist 3.825 assign (resid 13 and name HB*) (resid 13 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.374 ! assign (resid 13 and name HD2) (resid 13 and name HD2) 2.900 1.100 1.100 ! geminal protons with same pseudoatom name assign (resid 13 and name HD2) (resid 13 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.580 assign (resid 13 and name HD2) (resid 13 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.818 assign (resid 13 and name HD2) (resid 13 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.983 ! assign (resid 13 and name HD2) (resid 13 and name HD2) 2.900 1.100 1.100 ! geminal protons with same pseudoatom name assign (resid 13 and name HD2) (resid 13 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.425 assign (resid 13 and name HN) (resid 13 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.837 assign (resid 13 and name HN) (resid 13 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.038 assign (resid 13 and name HN) (resid 13 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.422 assign (resid 13 and name HN) (resid 13 and name HD2) 2.900 1.100 1.100 ! no changes - calc dist 3.071 ! =========== Intraresidue contacts to residue 14 ============ assign (resid 14 and name HA) (resid 14 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.768 assign (resid 14 and name HA) (resid 14 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 7.312 assign (resid 14 and name HA) (resid 14 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 7.421 assign (resid 14 and name HA) (resid 14 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 7.866 assign (resid 14 and name HA) (resid 14 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.845 assign (resid 14 and name HB*) (resid 14 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.014 assign (resid 14 and name HB*) (resid 14 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 7.509 assign (resid 14 and name HB*) (resid 14 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.146 assign (resid 14 and name HB*) (resid 14 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.315 assign (resid 14 and name HD**) (resid 14 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.833 assign (resid 14 and name HD**) (resid 14 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 9.307 assign (resid 14 and name HD**) (resid 14 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.481 assign (resid 14 and name HD**) (resid 14 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.171 assign (resid 14 and name HD**) (resid 14 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 10.273 assign (resid 14 and name HD**) (resid 14 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 9.957 assign (resid 14 and name HD**) (resid 14 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.898 assign (resid 14 and name HG) (resid 14 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.841 assign (resid 14 and name HG) (resid 14 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.928 assign (resid 14 and name HG) (resid 14 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.009 assign (resid 14 and name HG) (resid 14 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.272 assign (resid 14 and name HN) (resid 14 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.461 assign (resid 14 and name HN) (resid 14 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.404 assign (resid 14 and name HN) (resid 14 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 7.979 assign (resid 14 and name HN) (resid 14 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 8.027 assign (resid 14 and name HN) (resid 14 and name HG) 3.400 1.600 1.600 ! no changes - calc dist 4.543 ! =========== Intraresidue contacts to residue 15 ============ assign (resid 15 and name HA) (resid 15 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.462 assign (resid 15 and name HA) (resid 15 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.529 assign (resid 15 and name HB*) (resid 15 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.475 ! =========== Intraresidue contacts to residue 16 ============ ! assign (resid 16 and name HA*) (resid 16 and name HA*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 16 and name HA*) (resid 16 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.109 assign (resid 16 and name HA*) (resid 16 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.101 assign (resid 16 and name HN) (resid 16 and name HA*) 3.900 2.100 2.100 ! shortened - calc dist 6.105 assign (resid 16 and name HN) (resid 16 and name HA*) 3.400 1.600 1.600 ! no changes - calc dist 4.951 ! =========== Intraresidue contacts to residue 17 ============ assign (resid 17 and name HA) (resid 17 and name HB) 3.400 1.600 1.600 ! no changes - calc dist 4.942 assign (resid 17 and name HA) (resid 17 and name HD1*) 3.900 2.100 2.100 ! no changes - calc dist 5.044 assign (resid 17 and name HA) (resid 17 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.673 assign (resid 17 and name HA) (resid 17 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.836 assign (resid 17 and name HA) (resid 17 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 9.686 assign (resid 17 and name HA) (resid 17 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.512 assign (resid 17 and name HB) (resid 17 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.546 assign (resid 17 and name HB) (resid 17 and name HD1*) 3.900 2.100 2.100 ! no changes - calc dist 5.856 assign (resid 17 and name HB) (resid 17 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.397 assign (resid 17 and name HB) (resid 17 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 6.931 assign (resid 17 and name HB) (resid 17 and name HG2*) 3.900 2.100 2.100 ! no changes - calc dist 5.671 assign (resid 17 and name HB) (resid 17 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.454 assign (resid 17 and name HD1*) (resid 17 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.724 assign (resid 17 and name HD1*) (resid 17 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 9.914 assign (resid 17 and name HD1*) (resid 17 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 9.993 assign (resid 17 and name HD1*) (resid 17 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 9.644 assign (resid 17 and name HD1*) (resid 17 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.291 assign (resid 17 and name HG1*) (resid 17 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.337 assign (resid 17 and name HG1*) (resid 17 and name HD1*) 3.900 2.100 2.100 ! no changes - calc dist 5.833 ! assign (resid 17 and name HG1*) (resid 17 and name HG1*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 17 and name HG1*) (resid 17 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 6.319 assign (resid 17 and name HG1*) (resid 17 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.483 assign (resid 17 and name HG1*) (resid 17 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.408 assign (resid 17 and name HG1*) (resid 17 and name HB) 3.400 1.600 1.600 ! no changes - calc dist 4.251 assign (resid 17 and name HG1*) (resid 17 and name HD1*) 3.900 2.100 2.100 ! shortened - calc dist 6.098 ! assign (resid 17 and name HG1*) (resid 17 and name HG1*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 17 and name HG1*) (resid 17 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 6.293 assign (resid 17 and name HG1*) (resid 17 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.085 assign (resid 17 and name HG2*) (resid 17 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.157 assign (resid 17 and name HG2*) (resid 17 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 9.284 assign (resid 17 and name HG2*) (resid 17 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 9.730 assign (resid 17 and name HG2*) (resid 17 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 9.079 assign (resid 17 and name HG2*) (resid 17 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.602 assign (resid 17 and name HN) (resid 17 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.512 assign (resid 17 and name HN) (resid 17 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.386 assign (resid 17 and name HN) (resid 17 and name HD1*) 3.900 2.100 2.100 ! shortened - calc dist 8.267 assign (resid 17 and name HN) (resid 17 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.363 assign (resid 17 and name HN) (resid 17 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.185 assign (resid 17 and name HN) (resid 17 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 7.446 ! =========== Intraresidue contacts to residue 18 ============ assign (resid 18 and name HA) (resid 18 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.476 assign (resid 18 and name HA) (resid 18 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.482 assign (resid 18 and name HA) (resid 18 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.558 assign (resid 18 and name HB*) (resid 18 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 7.073 assign (resid 18 and name HG*) (resid 18 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.050 assign (resid 18 and name HG*) (resid 18 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.580 ! assign (resid 18 and name HG*) (resid 18 and name HG*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 18 and name HG*) (resid 18 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.195 assign (resid 18 and name HG*) (resid 18 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.298 ! assign (resid 18 and name HG*) (resid 18 and name HG*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 18 and name HG*) (resid 18 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.258 assign (resid 18 and name HN) (resid 18 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.653 assign (resid 18 and name HN) (resid 18 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.265 assign (resid 18 and name HN) (resid 18 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.332 ! =========== Intraresidue contacts to residue 19 ============ assign (resid 19 and name HA) (resid 19 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.694 assign (resid 19 and name HA) (resid 19 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.355 assign (resid 19 and name HB*) (resid 19 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.586 assign (resid 19 and name HB*) (resid 19 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.865 assign (resid 19 and name HN) (resid 19 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.371 assign (resid 19 and name HN) (resid 19 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.592 ! =========== Intraresidue contacts to residue 20 ============ assign (resid 20 and name HA) (resid 20 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.711 assign (resid 20 and name HA) (resid 20 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.287 assign (resid 20 and name HA) (resid 20 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 9.640 assign (resid 20 and name HA) (resid 20 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 9.854 assign (resid 20 and name HA) (resid 20 and name HG) 3.900 2.100 2.100 ! no changes - calc dist 5.062 assign (resid 20 and name HA) (resid 20 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.676 assign (resid 20 and name HB*) (resid 20 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.550 assign (resid 20 and name HB*) (resid 20 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 6.611 assign (resid 20 and name HB*) (resid 20 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 6.451 assign (resid 20 and name HB*) (resid 20 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 7.034 assign (resid 20 and name HB*) (resid 20 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.088 assign (resid 20 and name HB*) (resid 20 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.345 assign (resid 20 and name HB*) (resid 20 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 6.991 assign (resid 20 and name HB*) (resid 20 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.562 assign (resid 20 and name HB*) (resid 20 and name HG) 3.900 2.100 2.100 ! no changes - calc dist 5.962 assign (resid 20 and name HB*) (resid 20 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.409 assign (resid 20 and name HD**) (resid 20 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.191 assign (resid 20 and name HD**) (resid 20 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 9.179 assign (resid 20 and name HD**) (resid 20 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.680 assign (resid 20 and name HD**) (resid 20 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 9.005 assign (resid 20 and name HD**) (resid 20 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.433 assign (resid 20 and name HG) (resid 20 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.935 assign (resid 20 and name HG) (resid 20 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.098 assign (resid 20 and name HG) (resid 20 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.851 assign (resid 20 and name HG) (resid 20 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.649 assign (resid 20 and name HG) (resid 20 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.168 assign (resid 20 and name HG) (resid 20 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.651 assign (resid 20 and name HN) (resid 20 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.937 assign (resid 20 and name HN) (resid 20 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.261 assign (resid 20 and name HN) (resid 20 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.609 assign (resid 20 and name HN) (resid 20 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.006 assign (resid 20 and name HN) (resid 20 and name HD**) 3.400 1.600 1.600 ! no changes - calc dist 4.112 assign (resid 20 and name HN) (resid 20 and name HG) 3.400 1.600 1.600 ! no changes - calc dist 4.754 ! =========== Intraresidue contacts to residue 21 ============ assign (resid 21 and name HA) (resid 21 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 7.866 assign (resid 21 and name HA) (resid 21 and name HD1*) 3.900 2.100 2.100 ! shortened - calc dist 6.395 assign (resid 21 and name HA) (resid 21 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.888 assign (resid 21 and name HA) (resid 21 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.780 assign (resid 21 and name HA) (resid 21 and name HG2*) 3.900 2.100 2.100 ! no changes - calc dist 5.098 assign (resid 21 and name HA) (resid 21 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.599 assign (resid 21 and name HB) (resid 21 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.962 assign (resid 21 and name HB) (resid 21 and name HD1*) 3.900 2.100 2.100 ! no changes - calc dist 5.514 assign (resid 21 and name HB) (resid 21 and name HG1*) 3.900 2.100 2.100 ! no changes - calc dist 5.879 assign (resid 21 and name HB) (resid 21 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.672 assign (resid 21 and name HB) (resid 21 and name HG2*) 3.900 2.100 2.100 ! no changes - calc dist 5.784 assign (resid 21 and name HB) (resid 21 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.363 assign (resid 21 and name HD1*) (resid 21 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.356 assign (resid 21 and name HD1*) (resid 21 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 10.034 assign (resid 21 and name HD1*) (resid 21 and name HG1*) 3.900 2.100 2.100 ! no changes - calc dist 5.975 assign (resid 21 and name HD1*) (resid 21 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.694 assign (resid 21 and name HG1*) (resid 21 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.654 assign (resid 21 and name HG1*) (resid 21 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 6.223 assign (resid 21 and name HG1*) (resid 21 and name HD1*) 3.900 2.100 2.100 ! shortened - calc dist 6.536 ! assign (resid 21 and name HG1*) (resid 21 and name HG1*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 21 and name HG1*) (resid 21 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.378 assign (resid 21 and name HG1*) (resid 21 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.790 assign (resid 21 and name HG1*) (resid 21 and name HB) 3.400 1.600 1.600 ! no changes - calc dist 4.591 assign (resid 21 and name HG1*) (resid 21 and name HD1*) 3.900 2.100 2.100 ! no changes - calc dist 5.901 ! assign (resid 21 and name HG1*) (resid 21 and name HG1*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 21 and name HG1*) (resid 21 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 6.377 assign (resid 21 and name HG1*) (resid 21 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.373 assign (resid 21 and name HG2*) (resid 21 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.166 assign (resid 21 and name HG2*) (resid 21 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 9.590 assign (resid 21 and name HG2*) (resid 21 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.129 assign (resid 21 and name HN) (resid 21 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.559 assign (resid 21 and name HN) (resid 21 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.431 assign (resid 21 and name HN) (resid 21 and name HD1*) 3.900 2.100 2.100 ! shortened - calc dist 8.008 assign (resid 21 and name HN) (resid 21 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 8.275 assign (resid 21 and name HN) (resid 21 and name HG1*) 3.400 1.600 1.600 ! no changes - calc dist 4.548 assign (resid 21 and name HN) (resid 21 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 8.242 ! =========== Intraresidue contacts to residue 22 ============ assign (resid 22 and name HA) (resid 22 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.145 assign (resid 22 and name HA) (resid 22 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.041 assign (resid 22 and name HB*) (resid 22 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.956 assign (resid 22 and name HB*) (resid 22 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.221 assign (resid 22 and name HN) (resid 22 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.216 assign (resid 22 and name HN) (resid 22 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.374 ! =========== Intraresidue contacts to residue 23 ============ assign (resid 23 and name HA) (resid 23 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.196 assign (resid 23 and name HA) (resid 23 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.577 assign (resid 23 and name HB*) (resid 23 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.272 assign (resid 23 and name HB*) (resid 23 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.595 assign (resid 23 and name HN) (resid 23 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.489 assign (resid 23 and name HN) (resid 23 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.461 assign (resid 23 and name HN) (resid 23 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.355 ! =========== Intraresidue contacts to residue 24 ============ assign (resid 24 and name HA*) (resid 24 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.454 assign (resid 24 and name HA*) (resid 24 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.533 assign (resid 24 and name HN) (resid 24 and name HA*) 3.900 2.100 2.100 ! shortened - calc dist 8.476 ! =========== Intraresidue contacts to residue 25 ============ assign (resid 25 and name HA) (resid 25 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 9.053 assign (resid 25 and name HA) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 9.850 assign (resid 25 and name HA) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 8.065 assign (resid 25 and name HA) (resid 25 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.675 assign (resid 25 and name HB) (resid 25 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.395 assign (resid 25 and name HB) (resid 25 and name HG**) 3.900 2.100 2.100 ! no changes - calc dist 5.665 assign (resid 25 and name HB) (resid 25 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.505 assign (resid 25 and name HG**) (resid 25 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.763 assign (resid 25 and name HG**) (resid 25 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.315 assign (resid 25 and name HG**) (resid 25 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.080 assign (resid 25 and name HG**) (resid 25 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.813 assign (resid 25 and name HN) (resid 25 and name HA) 2.300 0.500 0.500 ! no changes - calc dist 2.579 assign (resid 25 and name HN) (resid 25 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.424 assign (resid 25 and name HN) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 7.929 assign (resid 25 and name HN) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 7.521 ! =========== Intraresidue contacts to residue 26 ============ assign (resid 26 and name HA) (resid 26 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 9.104 assign (resid 26 and name HA) (resid 26 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 8.084 assign (resid 26 and name HA) (resid 26 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 8.008 assign (resid 26 and name HA) (resid 26 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.681 assign (resid 26 and name HB) (resid 26 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.089 assign (resid 26 and name HB) (resid 26 and name HG**) 3.900 2.100 2.100 ! no changes - calc dist 5.818 assign (resid 26 and name HB) (resid 26 and name HG**) 3.900 2.100 2.100 ! no changes - calc dist 5.615 assign (resid 26 and name HB) (resid 26 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.568 assign (resid 26 and name HG**) (resid 26 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.294 assign (resid 26 and name HG**) (resid 26 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.602 assign (resid 26 and name HG**) (resid 26 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.303 assign (resid 26 and name HG**) (resid 26 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.306 assign (resid 26 and name HG**) (resid 26 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.609 assign (resid 26 and name HG**) (resid 26 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.422 assign (resid 26 and name HN) (resid 26 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.526 assign (resid 26 and name HN) (resid 26 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.490 assign (resid 26 and name HN) (resid 26 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 6.356 assign (resid 26 and name HN) (resid 26 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 7.073 ! =========== Intraresidue contacts to residue 27 ============ assign (resid 27 and name HA) (resid 27 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.495 assign (resid 27 and name HA) (resid 27 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.254 assign (resid 27 and name HA) (resid 27 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.739 assign (resid 27 and name HA) (resid 27 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.903 assign (resid 27 and name HA) (resid 27 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.579 assign (resid 27 and name HB*) (resid 27 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.818 assign (resid 27 and name HB*) (resid 27 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 9.164 assign (resid 27 and name HB*) (resid 27 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 9.334 assign (resid 27 and name HB*) (resid 27 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.225 assign (resid 27 and name HB*) (resid 27 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.418 ! assign (resid 27 and name HB*) (resid 27 and name HB*) 3.400 1.600 1.600 ! geminal protons with same pseudoatom name assign (resid 27 and name HB*) (resid 27 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.315 assign (resid 27 and name HB*) (resid 27 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 6.482 assign (resid 27 and name HB*) (resid 27 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.315 assign (resid 27 and name HG*) (resid 27 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.245 assign (resid 27 and name HG*) (resid 27 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.931 assign (resid 27 and name HG*) (resid 27 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.383 ! assign (resid 27 and name HG*) (resid 27 and name HG*) 3.400 1.600 1.600 ! geminal protons with same pseudoatom name assign (resid 27 and name HG*) (resid 27 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.237 assign (resid 27 and name HG*) (resid 27 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.951 assign (resid 27 and name HG*) (resid 27 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.505 assign (resid 27 and name HG*) (resid 27 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.482 ! assign (resid 27 and name HG*) (resid 27 and name HG*) 3.400 1.600 1.600 ! geminal protons with same pseudoatom name assign (resid 27 and name HG*) (resid 27 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.315 assign (resid 27 and name HN) (resid 27 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.933 assign (resid 27 and name HN) (resid 27 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.315 assign (resid 27 and name HN) (resid 27 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.416 assign (resid 27 and name HN) (resid 27 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.053 assign (resid 27 and name HN) (resid 27 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.065 ! =========== Intraresidue contacts to residue 28 ============ assign (resid 28 and name HA) (resid 28 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.941 assign (resid 28 and name HA) (resid 28 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.101 assign (resid 28 and name HA) (resid 28 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 7.824 assign (resid 28 and name HA) (resid 28 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.845 assign (resid 28 and name HA) (resid 28 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.627 assign (resid 28 and name HB*) (resid 28 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.142 assign (resid 28 and name HB*) (resid 28 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.410 assign (resid 28 and name HB*) (resid 28 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.565 assign (resid 28 and name HB*) (resid 28 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.296 assign (resid 28 and name HB*) (resid 28 and name HE) 2.900 1.100 1.100 ! no changes - calc dist 3.085 assign (resid 28 and name HB*) (resid 28 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 7.115 assign (resid 28 and name HB*) (resid 28 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.291 assign (resid 28 and name HB*) (resid 28 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.675 assign (resid 28 and name HB*) (resid 28 and name HE) 2.900 1.100 1.100 ! no changes - calc dist 3.180 assign (resid 28 and name HB*) (resid 28 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 6.804 assign (resid 28 and name HB*) (resid 28 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.307 assign (resid 28 and name HD*) (resid 28 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 2.991 assign (resid 28 and name HD*) (resid 28 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.487 assign (resid 28 and name HD*) (resid 28 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.484 assign (resid 28 and name HD*) (resid 28 and name HE) 3.400 1.600 1.600 ! no changes - calc dist 4.154 assign (resid 28 and name HD*) (resid 28 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.269 assign (resid 28 and name HD*) (resid 28 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (31 viol avg 0.217) assign (resid 28 and name HE) (resid 28 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.818 assign (resid 28 and name HE) (resid 28 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.993 assign (resid 28 and name HE) (resid 28 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.167 assign (resid 28 and name HE) (resid 28 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.439 assign (resid 28 and name HG*) (resid 28 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.516 assign (resid 28 and name HG*) (resid 28 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.092 assign (resid 28 and name HG*) (resid 28 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.506 assign (resid 28 and name HG*) (resid 28 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.205 assign (resid 28 and name HG*) (resid 28 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.323 assign (resid 28 and name HG*) (resid 28 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.253 assign (resid 28 and name HG*) (resid 28 and name HE) 2.900 1.100 1.100 ! no changes - calc dist 3.837 assign (resid 28 and name HG*) (resid 28 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.267 assign (resid 28 and name HN) (resid 28 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.529 assign (resid 28 and name HN) (resid 28 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.326 assign (resid 28 and name HN) (resid 28 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.449 assign (resid 28 and name HN) (resid 28 and name HD*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (31 viol avg 0.217) assign (resid 28 and name HN) (resid 28 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.566 ! =========== Intraresidue contacts to residue 29 ============ assign (resid 29 and name HA) (resid 29 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.586 assign (resid 29 and name HA) (resid 29 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.951 assign (resid 29 and name HA) (resid 29 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.294 assign (resid 29 and name HA) (resid 29 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.773 assign (resid 29 and name HA) (resid 29 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 7.277 assign (resid 29 and name HA) (resid 29 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 7.292 assign (resid 29 and name HB*) (resid 29 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.817 ! assign (resid 29 and name HB*) (resid 29 and name HB*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 29 and name HB*) (resid 29 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.947 assign (resid 29 and name HB*) (resid 29 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.680 assign (resid 29 and name HB*) (resid 29 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.065 assign (resid 29 and name HB*) (resid 29 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.631 assign (resid 29 and name HB*) (resid 29 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.195 ! assign (resid 29 and name HB*) (resid 29 and name HB*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 29 and name HB*) (resid 29 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 7.479 assign (resid 29 and name HB*) (resid 29 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.497 assign (resid 29 and name HB*) (resid 29 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 7.036 assign (resid 29 and name HD*) (resid 29 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.777 assign (resid 29 and name HD*) (resid 29 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.168 ! assign (resid 29 and name HD*) (resid 29 and name HD*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 29 and name HD*) (resid 29 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 8.008 assign (resid 29 and name HD*) (resid 29 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 7.397 assign (resid 29 and name HD*) (resid 29 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.136 assign (resid 29 and name HD*) (resid 29 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.616 assign (resid 29 and name HD*) (resid 29 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.942 ! assign (resid 29 and name HD*) (resid 29 and name HD*) 3.900 2.100 2.100 ! geminal protons with same pseudoatom name assign (resid 29 and name HD*) (resid 29 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.860 assign (resid 29 and name HD*) (resid 29 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.451 assign (resid 29 and name HG*) (resid 29 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.941 assign (resid 29 and name HG*) (resid 29 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.533 assign (resid 29 and name HG*) (resid 29 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.914 assign (resid 29 and name HG*) (resid 29 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.306 assign (resid 29 and name HG*) (resid 29 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.205 assign (resid 29 and name HG*) (resid 29 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.970 assign (resid 29 and name HG*) (resid 29 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.781 assign (resid 29 and name HG*) (resid 29 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.052 assign (resid 29 and name HG*) (resid 29 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.643 assign (resid 29 and name HG*) (resid 29 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.538 ! =========== Intraresidue contacts to residue 30 ============ assign (resid 30 and name HA) (resid 30 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.768 assign (resid 30 and name HA) (resid 30 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.863 assign (resid 30 and name HA) (resid 30 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.845 assign (resid 30 and name HA) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.209 assign (resid 30 and name HA) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.903 assign (resid 30 and name HA) (resid 30 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.126 assign (resid 30 and name HB*) (resid 30 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 9.079 assign (resid 30 and name HB*) (resid 30 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 7.489 assign (resid 30 and name HB*) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.947 assign (resid 30 and name HB*) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.947 assign (resid 30 and name HB*) (resid 30 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.330 assign (resid 30 and name HB*) (resid 30 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 7.106 assign (resid 30 and name HB*) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.954 assign (resid 30 and name HB*) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.954 assign (resid 30 and name HB*) (resid 30 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.469 assign (resid 30 and name HD*) (resid 30 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.405 assign (resid 30 and name HD*) (resid 30 and name HE*) 3.900 2.100 2.100 ! shortened - calc dist 6.270 assign (resid 30 and name HD*) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.874 assign (resid 30 and name HD*) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.874 assign (resid 30 and name HD*) (resid 30 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (35 viol avg 0.193) assign (resid 30 and name HE*) (resid 30 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.136 assign (resid 30 and name HE*) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 2.881 assign (resid 30 and name HE*) (resid 30 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 2.881 assign (resid 30 and name HG*) (resid 30 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.341 assign (resid 30 and name HG*) (resid 30 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 2.853 assign (resid 30 and name HG*) (resid 30 and name HE*) 3.400 1.600 1.600 ! no changes - calc dist 4.347 assign (resid 30 and name HG*) (resid 30 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.008 assign (resid 30 and name HG*) (resid 30 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.785 assign (resid 30 and name HG*) (resid 30 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.341 assign (resid 30 and name HG*) (resid 30 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.368 assign (resid 30 and name HG*) (resid 30 and name HE*) 3.400 1.600 1.600 ! no changes - calc dist 4.628 assign (resid 30 and name HG*) (resid 30 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.690 assign (resid 30 and name HN) (resid 30 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.202 assign (resid 30 and name HN) (resid 30 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.673 assign (resid 30 and name HN) (resid 30 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.720 assign (resid 30 and name HN) (resid 30 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.526 assign (resid 30 and name HN) (resid 30 and name HG*) 2.300 0.500 0.500 ! lengthened - calc dist 1.318 assign (resid 30 and name HN) (resid 30 and name HG*) 2.300 0.500 0.500 ! no changes - calc dist 2.498 ! =========== Intraresidue contacts to residue 31 ============ assign (resid 31 and name HA) (resid 31 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.711 assign (resid 31 and name HA) (resid 31 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.863 assign (resid 31 and name HA) (resid 31 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.845 assign (resid 31 and name HA) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.209 assign (resid 31 and name HA) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.903 assign (resid 31 and name HA) (resid 31 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.845 assign (resid 31 and name HB*) (resid 31 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.734 assign (resid 31 and name HB*) (resid 31 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.886 assign (resid 31 and name HB*) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.947 assign (resid 31 and name HB*) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.947 assign (resid 31 and name HB*) (resid 31 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.323 assign (resid 31 and name HB*) (resid 31 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 7.082 assign (resid 31 and name HB*) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.954 assign (resid 31 and name HB*) (resid 31 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 6.036 assign (resid 31 and name HB*) (resid 31 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.409 assign (resid 31 and name HD*) (resid 31 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.047 assign (resid 31 and name HD*) (resid 31 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.847 assign (resid 31 and name HD*) (resid 31 and name HE*) 2.300 0.500 0.500 ! lengthened - calc dist 1.598 assign (resid 31 and name HD*) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.874 assign (resid 31 and name HD*) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.874 assign (resid 31 and name HE*) (resid 31 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.136 assign (resid 31 and name HE*) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 2.881 assign (resid 31 and name HE*) (resid 31 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.822 assign (resid 31 and name HG*) (resid 31 and name HA) 2.300 0.500 0.500 ! no changes - calc dist 2.034 assign (resid 31 and name HG*) (resid 31 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.341 assign (resid 31 and name HG*) (resid 31 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 2.853 assign (resid 31 and name HG*) (resid 31 and name HN) 2.300 0.500 0.500 ! no changes - calc dist 2.358 assign (resid 31 and name HG*) (resid 31 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.823 assign (resid 31 and name HG*) (resid 31 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.341 assign (resid 31 and name HG*) (resid 31 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.741 assign (resid 31 and name HN) (resid 31 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.526 assign (resid 31 and name HN) (resid 31 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.980 assign (resid 31 and name HN) (resid 31 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.180 ! -------------------------------------------------------------------------- ! i +/- 1 contacts ! =========== i+1 contacts to residue 1 ============ assign (resid 1 and name HA) (resid 2 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.189 assign (resid 1 and name HB*) (resid 2 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.427 assign (resid 1 and name HD*) (resid 2 and name HN) 2.300 0.500 0.500 ! no changes - calc dist 2.446 assign (resid 1 and name HG*) (resid 2 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.098 assign (resid 1 and name HG*) (resid 2 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.476 assign (resid 1 and name HG*) (resid 2 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.131 assign (resid 1 and name HG*) (resid 2 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.675 assign (resid 1 and name HG*) (resid 2 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.666 assign (resid 1 and name HG*) (resid 2 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.822 assign (resid 1 and name HN) (resid 2 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.497 assign (resid 2 and name HA) (resid 1 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.456 assign (resid 2 and name HA) (resid 1 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.070 assign (resid 2 and name HB*) (resid 1 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.033 assign (resid 2 and name HB*) (resid 1 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (51 viol avg 1.001) assign (resid 2 and name HB*) (resid 1 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.726 assign (resid 2 and name HB*) (resid 1 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.790 assign (resid 2 and name HN) (resid 1 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.199 assign (resid 2 and name HN) (resid 1 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.907 assign (resid 2 and name HN) (resid 1 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.277 assign (resid 2 and name HN) (resid 1 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.822 assign (resid 2 and name HN) (resid 1 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.177 ! =========== i+1 contacts to residue 2 ============ assign (resid 2 and name HA) (resid 3 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (99 viol avg 0.435) assign (resid 2 and name HA) (resid 3 and name HD*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (56 viol avg 0.236) assign (resid 2 and name HA) (resid 3 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (41 viol avg 0.145) assign (resid 2 and name HA) (resid 3 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.530 !assign (resid 2 and name HB*) (resid 3 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.756 assign (resid 2 and name HB*) (resid 3 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 16. (32 viol avg 0.155) assign (resid 2 and name HB*) (resid 3 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.126 assign (resid 2 and name HB*) (resid 3 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.781 assign (resid 2 and name HN) (resid 3 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (74 viol avg 0.149) assign (resid 2 and name HN) (resid 3 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 2.834 !assign (resid 2 and name HN) (resid 3 and name HE*) 2.300 0.500 0.500 ! no changes - calc dist 2.152 assign (resid 2 and name HN) (resid 3 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.675 assign (resid 3 and name HA) (resid 2 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 16. (43 viol avg 0.199) assign (resid 3 and name HB*) (resid 2 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.208 assign (resid 3 and name HB*) (resid 2 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (94 viol avg 0.209) assign (resid 3 and name HB*) (resid 2 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (74 viol avg 0.149) assign (resid 3 and name HD*) (resid 2 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.028 !assign (resid 3 and name HD*) (resid 2 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.301 !assign (resid 3 and name HD*) (resid 2 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.298 assign (resid 3 and name HD*) (resid 2 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.015 !assign (resid 3 and name HE*) (resid 2 and name HN) 2.300 0.500 0.500 ! no changes - calc dist 2.526 assign (resid 3 and name HN) (resid 2 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.589 assign (resid 3 and name HN) (resid 2 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.141 assign (resid 3 and name HN) (resid 2 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.065 assign (resid 3 and name HN) (resid 2 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.033 ! =========== i+1 contacts to residue 3 ============ assign (resid 3 and name HB*) (resid 4 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.499 assign (resid 3 and name HB*) (resid 4 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.892 assign (resid 3 and name HD*) (resid 4 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.941 assign (resid 3 and name HD*) (resid 4 and name HG*) 2.300 0.500 0.500 ! no changes - calc dist 1.933 assign (resid 3 and name HE*) (resid 4 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 16. (42 viol avg 0.142) assign (resid 4 and name HG*) (resid 3 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.748 assign (resid 4 and name HG*) (resid 3 and name HD*) 2.300 0.500 0.500 ! no changes - calc dist 2.075 !assign (resid 4 and name HG*) (resid 3 and name HE*) 2.300 0.500 0.500 ! no changes - calc dist 2.012 assign (resid 4 and name HG*) (resid 3 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.423 assign (resid 4 and name HG*) (resid 3 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.750 assign (resid 4 and name HG*) (resid 3 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.990 ! =========== i+1 contacts to residue 4 ============ assign (resid 4 and name HA) (resid 5 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (100 viol avg 0.320) assign (resid 4 and name HB*) (resid 5 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.207 assign (resid 4 and name HG*) (resid 5 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 2.837 assign (resid 4 and name HG*) (resid 5 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.454 assign (resid 4 and name HG*) (resid 5 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 16. (26 viol avg 0.157) assign (resid 4 and name HG*) (resid 5 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.144 assign (resid 4 and name HN) (resid 5 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.033 assign (resid 4 and name HN) (resid 5 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.850 assign (resid 5 and name HA) (resid 4 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.261 assign (resid 5 and name HA) (resid 4 and name HG*) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (30 viol avg 0.146) !assign (resid 5 and name HA) (resid 4 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (62 viol avg 0.996) assign (resid 5 and name HB*) (resid 4 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.366 assign (resid 5 and name HB*) (resid 4 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.574 assign (resid 5 and name HB*) (resid 4 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.414 assign (resid 5 and name HB*) (resid 4 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.175 assign (resid 5 and name HN) (resid 4 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.453 assign (resid 5 and name HN) (resid 4 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.666 assign (resid 5 and name HN) (resid 4 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 6.697 assign (resid 5 and name HN) (resid 4 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.644 ! =========== i+1 contacts to residue 5 ============ !assign (resid 5 and name HA) (resid 6 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (98 viol avg 0.562) assign (resid 5 and name HA) (resid 6 and name HD*) 3.900 2.100 2.100 ! incr to 6.0 after round 16. (32 viol avg 0.178) !assign (resid 5 and name HA) (resid 6 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14 assign (resid 5 and name HA) (resid 6 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.773 assign (resid 5 and name HB*) (resid 6 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.842 assign (resid 5 and name HB*) (resid 6 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.065 assign (resid 5 and name HB*) (resid 6 and name HD*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (99 viol avg 0.235) assign (resid 5 and name HB*) (resid 6 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 assign (resid 5 and name HB*) (resid 6 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.503 assign (resid 5 and name HN) (resid 6 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (100 viol avg 0.563) assign (resid 5 and name HN) (resid 6 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.006 assign (resid 5 and name HN) (resid 6 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 2.947 assign (resid 5 and name HN) (resid 6 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.675 assign (resid 6 and name HA) (resid 5 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.135 assign (resid 6 and name HB*) (resid 5 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.907 assign (resid 6 and name HB*) (resid 5 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.851 assign (resid 6 and name HD*) (resid 5 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (99 viol avg 0.235) assign (resid 6 and name HD*) (resid 5 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 2.970 assign (resid 6 and name HE*) (resid 5 and name HB*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 assign (resid 6 and name HN) (resid 5 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.666 assign (resid 6 and name HN) (resid 5 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.453 assign (resid 6 and name HN) (resid 5 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.680 ! =========== i+1 contacts to residue 6 ============ assign (resid 6 and name HA) (resid 7 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.833 assign (resid 6 and name HB*) (resid 7 and name HD**) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (92 viol avg 0.149) assign (resid 6 and name HB*) (resid 7 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (80 viol avg 0.744) assign (resid 6 and name HB*) (resid 7 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.255 assign (resid 6 and name HB*) (resid 7 and name HD**) 3.400 1.600 1.600 ! no changes - calc dist 4.466 assign (resid 6 and name HB*) (resid 7 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.883 assign (resid 6 and name HB*) (resid 7 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 7.780 assign (resid 6 and name HB*) (resid 7 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.779 assign (resid 6 and name HD*) (resid 7 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.378 assign (resid 6 and name HD*) (resid 7 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.863 assign (resid 6 and name HD*) (resid 7 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.117 assign (resid 6 and name HD*) (resid 7 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.837 assign (resid 6 and name HD*) (resid 7 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (35 viol avg 0.132) assign (resid 6 and name HD*) (resid 7 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.723 assign (resid 6 and name HE*) (resid 7 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.066 assign (resid 6 and name HE*) (resid 7 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (54 viol avg 1.035) assign (resid 6 and name HE*) (resid 7 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.031 assign (resid 6 and name HE*) (resid 7 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.453 assign (resid 6 and name HE*) (resid 7 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (99 viol avg 0.231) assign (resid 6 and name HN) (resid 7 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.261) assign (resid 6 and name HN) (resid 7 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.073 assign (resid 6 and name HN) (resid 7 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 2.802 assign (resid 6 and name HN) (resid 7 and name HD**) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (61 viol avg 0.857) assign (resid 6 and name HN) (resid 7 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (60 viol avg 0.524) assign (resid 6 and name HN) (resid 7 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.896 assign (resid 7 and name HA) (resid 6 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.349 assign (resid 7 and name HA) (resid 6 and name HE*) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (53 viol avg 1.584) assign (resid 7 and name HA) (resid 6 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.261) assign (resid 7 and name HB*) (resid 6 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.609 assign (resid 7 and name HB*) (resid 6 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.030 assign (resid 7 and name HB*) (resid 6 and name HE*) 3.400 1.600 1.600 ! no changes - calc dist 4.919 assign (resid 7 and name HB*) (resid 6 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.096 assign (resid 7 and name HD**) (resid 6 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (92 viol avg 0.149) assign (resid 7 and name HD**) (resid 6 and name HD*) 3.900 2.100 2.100 ! no changes - calc dist 5.171 assign (resid 7 and name HD**) (resid 6 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (61 viol avg 0.857) assign (resid 7 and name HD**) (resid 6 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (92 viol avg 0.149) assign (resid 7 and name HD**) (resid 6 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.023 assign (resid 7 and name HD**) (resid 6 and name HE*) 3.400 1.600 1.600 ! no changes - calc dist 4.214 assign (resid 7 and name HD**) (resid 6 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.980 assign (resid 7 and name HG) (resid 6 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.173 assign (resid 7 and name HG) (resid 6 and name HD*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (35 viol avg 0.132) assign (resid 7 and name HG) (resid 6 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (46 viol avg 0.218) assign (resid 7 and name HG) (resid 6 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (60 viol avg 0.524) assign (resid 7 and name HN) (resid 6 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.424 assign (resid 7 and name HN) (resid 6 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.348 assign (resid 7 and name HN) (resid 6 and name HE*) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (99 viol avg 0.231) assign (resid 7 and name HN) (resid 6 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.980 ! =========== i+1 contacts to residue 7 ============ assign (resid 7 and name HA) (resid 8 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.076 assign (resid 7 and name HB*) (resid 8 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.551 assign (resid 7 and name HB*) (resid 8 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.996 assign (resid 7 and name HD**) (resid 8 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.595 assign (resid 7 and name HD**) (resid 8 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.424 assign (resid 7 and name HD**) (resid 8 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.711 assign (resid 7 and name HG) (resid 8 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.941 assign (resid 7 and name HN) (resid 8 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.409 assign (resid 7 and name HN) (resid 8 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.600 assign (resid 8 and name HA) (resid 7 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (64 viol avg 0.615) assign (resid 8 and name HA) (resid 7 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 8.917 assign (resid 8 and name HA) (resid 7 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.263) assign (resid 8 and name HA) (resid 7 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (100 viol avg 0.337) assign (resid 8 and name HN) (resid 7 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.017 assign (resid 8 and name HN) (resid 7 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.455 assign (resid 8 and name HN) (resid 7 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 8.233 assign (resid 8 and name HN) (resid 7 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 7.711 assign (resid 8 and name HN) (resid 7 and name HG) 2.900 1.100 1.100 ! no changes - calc dist 3.690 assign (resid 8 and name HN) (resid 7 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.641 ! =========== i+1 contacts to residue 8 ============ assign (resid 8 and name HA) (resid 9 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 9.999 assign (resid 8 and name HB*) (resid 9 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (97 viol avg 0.543) assign (resid 8 and name HB*) (resid 9 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.568 assign (resid 8 and name HN) (resid 9 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.320) assign (resid 8 and name HN) (resid 9 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 2.834 assign (resid 8 and name HN) (resid 9 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.726 assign (resid 9 and name HA) (resid 8 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.320) assign (resid 9 and name HB*) (resid 8 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 9.053 assign (resid 9 and name HB*) (resid 8 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.786 assign (resid 9 and name HN) (resid 8 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.371 assign (resid 9 and name HN) (resid 8 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 2.898 assign (resid 9 and name HN) (resid 8 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.068 ! =========== i+1 contacts to residue 9 ============ assign (resid 9 and name HA) (resid 10 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.319 assign (resid 9 and name HB*) (resid 10 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.244 assign (resid 9 and name HB*) (resid 10 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.609 assign (resid 9 and name HB*) (resid 10 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 6.784 assign (resid 9 and name HB*) (resid 10 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.519 assign (resid 9 and name HN) (resid 10 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (97 viol avg 0.173) assign (resid 9 and name HN) (resid 10 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.167 assign (resid 10 and name HA) (resid 9 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.214 assign (resid 10 and name HA) (resid 9 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.433 assign (resid 10 and name HB*) (resid 9 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.726 assign (resid 10 and name HB*) (resid 9 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.924 assign (resid 10 and name HG*) (resid 9 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.626 assign (resid 10 and name HN) (resid 9 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.837 assign (resid 10 and name HN) (resid 9 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.561 ! =========== i+1 contacts to residue 10 ============ assign (resid 10 and name HA) (resid 11 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.482 assign (resid 10 and name HB*) (resid 11 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.289) assign (resid 10 and name HB*) (resid 11 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (35 viol avg 0.115) assign (resid 10 and name HB*) (resid 11 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.468 assign (resid 10 and name HB*) (resid 11 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.717 assign (resid 10 and name HG*) (resid 11 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (69 viol avg 0.214) assign (resid 10 and name HG*) (resid 11 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.338 assign (resid 10 and name HG*) (resid 11 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.889 assign (resid 10 and name HN) (resid 11 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.149 assign (resid 10 and name HN) (resid 11 and name HD**) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (57 viol avg 0.739) assign (resid 10 and name HN) (resid 11 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.379 assign (resid 11 and name HB*) (resid 10 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (35 viol avg 0.115) assign (resid 11 and name HB*) (resid 10 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 2.943 assign (resid 11 and name HB*) (resid 10 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 2.818 assign (resid 11 and name HN) (resid 10 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.492 assign (resid 11 and name HN) (resid 10 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.416 ! =========== i+1 contacts to residue 11 ============ assign (resid 11 and name HA) (resid 12 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.265 assign (resid 11 and name HA) (resid 12 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.129 assign (resid 11 and name HB*) (resid 12 and name HD*) 3.400 1.600 1.600 ! incr to 5.0 after round 22. (36 viol avg 0.112) assign (resid 11 and name HB*) (resid 12 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (100 viol avg 0.178) assign (resid 11 and name HB*) (resid 12 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.920 assign (resid 11 and name HD**) (resid 12 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.837 assign (resid 11 and name HD**) (resid 12 and name HE*) 2.900 1.100 1.100 ! incr to 4.0 after round 11. (71 viol avg 0.290) assign (resid 11 and name HD**) (resid 12 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.617 assign (resid 11 and name HD**) (resid 12 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.721 assign (resid 11 and name HD**) (resid 12 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.322 assign (resid 11 and name HG) (resid 12 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.487 assign (resid 11 and name HG) (resid 12 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 16. (65 viol avg 0.114) assign (resid 11 and name HG) (resid 12 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.708 assign (resid 11 and name HG) (resid 12 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (69 viol avg 0.116) assign (resid 11 and name HG) (resid 12 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.717 assign (resid 11 and name HN) (resid 12 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.604 assign (resid 11 and name HN) (resid 12 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.680 assign (resid 11 and name HN) (resid 12 and name HE*) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (99 viol avg 0.240) assign (resid 11 and name HN) (resid 12 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.607 assign (resid 12 and name HA) (resid 11 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.142 assign (resid 12 and name HA) (resid 11 and name HG) 3.900 2.100 2.100 ! no changes - calc dist 5.598 assign (resid 12 and name HB*) (resid 11 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 23. (71 viol avg 0.137) assign (resid 12 and name HB*) (resid 11 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (71 viol avg 0.239) assign (resid 12 and name HB*) (resid 11 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 23. (71 viol avg 0.137) assign (resid 12 and name HB*) (resid 11 and name HG) 2.900 1.100 1.100 ! incr to 4.0 after round 16. (65 viol avg 0.114) assign (resid 12 and name HB*) (resid 11 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (71 viol avg 0.239) !assign (resid 12 and name HD*) (resid 11 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.060 assign (resid 12 and name HD*) (resid 11 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 22. (36 viol avg 0.112) assign (resid 12 and name HD*) (resid 11 and name HD**) 3.400 1.600 1.600 ! no changes - calc dist 4.837 assign (resid 12 and name HD*) (resid 11 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.130 assign (resid 12 and name HD*) (resid 11 and name HG) 3.400 1.600 1.600 ! no changes - calc dist 4.492 assign (resid 12 and name HD*) (resid 11 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.666 assign (resid 12 and name HE*) (resid 11 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15 assign (resid 12 and name HE*) (resid 11 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (100 viol avg 0.178) assign (resid 12 and name HE*) (resid 11 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.162 assign (resid 12 and name HE*) (resid 11 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.409 assign (resid 12 and name HE*) (resid 11 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (69 viol avg 0.116) assign (resid 12 and name HE*) (resid 11 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.513 assign (resid 12 and name HN) (resid 11 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.424 assign (resid 12 and name HN) (resid 11 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.501 assign (resid 12 and name HN) (resid 11 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.878 assign (resid 12 and name HN) (resid 11 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.638 ! =========== i+1 contacts to residue 12 ============ assign (resid 12 and name HA) (resid 13 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 9. (80 viol avg 0.219) assign (resid 12 and name HA) (resid 13 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.045 assign (resid 12 and name HB*) (resid 13 and name HD2) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (59 viol avg 0.175) assign (resid 12 and name HB*) (resid 13 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.213 assign (resid 12 and name HD*) (resid 13 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.023 assign (resid 12 and name HD*) (resid 13 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.856 assign (resid 12 and name HD*) (resid 13 and name HD2) 3.400 1.600 1.600 ! no changes - calc dist 4.334 assign (resid 12 and name HD*) (resid 13 and name HD2) 2.900 1.100 1.100 ! no changes - calc dist 3.917 assign (resid 12 and name HD*) (resid 13 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.171 assign (resid 12 and name HE*) (resid 13 and name HD2) 3.400 1.600 1.600 ! no changes - calc dist 4.589 assign (resid 12 and name HE*) (resid 13 and name HD2) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.356) assign (resid 12 and name HE*) (resid 13 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.415 assign (resid 12 and name HN) (resid 13 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (95 viol avg 0.334) assign (resid 12 and name HN) (resid 13 and name HD2) 3.400 1.600 1.600 ! no changes - calc dist 4.101 assign (resid 13 and name HA) (resid 12 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 6.196 assign (resid 13 and name HA) (resid 12 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (63 viol avg 0.207) assign (resid 13 and name HB*) (resid 12 and name HD*) 2.900 1.100 1.100 ! incr to 4.0 after round 10. (100 viol avg 0.328) assign (resid 13 and name HB*) (resid 12 and name HE*) 2.900 1.100 1.100 ! incr to 4.0 after round 11. (76 viol avg 0.260) assign (resid 13 and name HB*) (resid 12 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.270 assign (resid 13 and name HD2) (resid 12 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.265 assign (resid 13 and name HD2) (resid 12 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.356) assign (resid 13 and name HD2) (resid 12 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.204 assign (resid 13 and name HN) (resid 12 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.818 assign (resid 13 and name HN) (resid 12 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.487 assign (resid 13 and name HN) (resid 12 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.184 assign (resid 13 and name HN) (resid 12 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.008 ! =========== i+1 contacts to residue 13 ============ assign (resid 13 and name HA) (resid 14 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.818 assign (resid 13 and name HA) (resid 14 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.570 assign (resid 13 and name HB*) (resid 14 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (62 viol avg 0.298) assign (resid 13 and name HB*) (resid 14 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.977 assign (resid 13 and name HB*) (resid 14 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.437 assign (resid 13 and name HB*) (resid 14 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 2.892 assign (resid 13 and name HB*) (resid 14 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.466 assign (resid 13 and name HD2) (resid 14 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.137 assign (resid 13 and name HD2) (resid 14 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (36 viol avg 0.123) assign (resid 13 and name HE1) (resid 14 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (64 viol avg 0.648) assign (resid 13 and name HN) (resid 14 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 9. (93 viol avg 0.249) assign (resid 13 and name HN) (resid 14 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.064 assign (resid 14 and name HD**) (resid 13 and name HD2) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (64 viol avg 0.662) assign (resid 14 and name HD**) (resid 13 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.503 assign (resid 14 and name HD**) (resid 13 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.249 assign (resid 14 and name HD**) (resid 13 and name HD2) 2.900 1.100 1.100 ! no changes - calc dist 3.557 assign (resid 14 and name HD**) (resid 13 and name HD2) 2.900 1.100 1.100 ! no changes - calc dist 3.238 assign (resid 14 and name HD**) (resid 13 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (70 viol avg 0.261) assign (resid 14 and name HG) (resid 13 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.492 assign (resid 14 and name HN) (resid 13 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.739 assign (resid 14 and name HN) (resid 13 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.467 assign (resid 14 and name HN) (resid 13 and name HD2) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (36 viol avg 0.123) assign (resid 14 and name HN) (resid 13 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.743 ! =========== i+1 contacts to residue 14 ============ assign (resid 14 and name HN) (resid 15 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (27 viol avg 0.143) assign (resid 14 and name HN) (resid 15 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.443 assign (resid 15 and name HB*) (resid 14 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.197 ! =========== i+1 contacts to residue 15 ============ assign (resid 15 and name HA) (resid 16 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.448 assign (resid 16 and name HN) (resid 15 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.173 assign (resid 16 and name HN) (resid 15 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.961 ! =========== i+1 contacts to residue 16 ============ assign (resid 16 and name HN) (resid 17 and name HB) 3.400 1.600 1.600 ! incr to 5.0 after round 11. (65 viol avg 0.211) assign (resid 16 and name HN) (resid 17 and name HD1*) 3.400 1.600 1.600 ! no changes - calc dist 4.546 assign (resid 16 and name HN) (resid 17 and name HG1*) 3.900 2.100 2.100 ! no changes - calc dist 5.860 assign (resid 16 and name HN) (resid 17 and name HG1*) 3.900 2.100 2.100 ! no changes - calc dist 5.179 assign (resid 16 and name HN) (resid 17 and name HG2*) 3.900 2.100 2.100 ! incr to 6.0 after round 12. (68 viol avg 0.251) assign (resid 16 and name HN) (resid 17 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.209 assign (resid 17 and name HB) (resid 16 and name HA*) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (52 viol avg 0.618) assign (resid 17 and name HB) (resid 16 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 11. (65 viol avg 0.211) assign (resid 17 and name HD1*) (resid 16 and name HA*) 3.900 2.100 2.100 ! shortened - calc dist 8.378 assign (resid 17 and name HD1*) (resid 16 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (34 viol avg 0.375) assign (resid 17 and name HG1*) (resid 16 and name HA*) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (60 viol avg 0.224) assign (resid 17 and name HG1*) (resid 16 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (57 viol avg 0.250) assign (resid 17 and name HG1*) (resid 16 and name HA*) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (60 viol avg 0.224) assign (resid 17 and name HG1*) (resid 16 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.324 assign (resid 17 and name HG2*) (resid 16 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 12. (68 viol avg 0.251) assign (resid 17 and name HN) (resid 16 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.748 ! =========== i+1 contacts to residue 17 ============ assign (resid 17 and name HA) (resid 18 and name HG*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (69 viol avg 0.229) assign (resid 17 and name HA) (resid 18 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.987 assign (resid 17 and name HB) (resid 18 and name HG*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (34 viol avg 0.215) assign (resid 17 and name HB) (resid 18 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.444 assign (resid 17 and name HD1*) (resid 18 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (58 viol avg 0.386) assign (resid 17 and name HG1*) (resid 18 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.496 assign (resid 17 and name HG1*) (resid 18 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (55 viol avg 0.242) assign (resid 17 and name HG2*) (resid 18 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.180 assign (resid 17 and name HG2*) (resid 18 and name HG*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (52 viol avg 0.297) assign (resid 17 and name HG2*) (resid 18 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.767 assign (resid 17 and name HN) (resid 18 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.769 assign (resid 18 and name HA) (resid 17 and name HB) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (65 viol avg 0.202) assign (resid 18 and name HA) (resid 17 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 9.378 assign (resid 18 and name HA) (resid 17 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.307 assign (resid 18 and name HB*) (resid 17 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (72 viol avg 0.198) assign (resid 18 and name HG*) (resid 17 and name HB) 3.400 1.600 1.600 ! no changes - calc dist 4.182 assign (resid 18 and name HG*) (resid 17 and name HG2*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (52 viol avg 0.297) assign (resid 18 and name HG*) (resid 17 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.849 assign (resid 18 and name HG*) (resid 17 and name HB) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (34 viol avg 0.215) assign (resid 18 and name HG*) (resid 17 and name HG2*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (52 viol avg 0.297) assign (resid 18 and name HG*) (resid 17 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.956 assign (resid 18 and name HN) (resid 17 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.495 assign (resid 18 and name HN) (resid 17 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.037 assign (resid 18 and name HN) (resid 17 and name HD1*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (58 viol avg 0.386) assign (resid 18 and name HN) (resid 17 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (55 viol avg 0.242) assign (resid 18 and name HN) (resid 17 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (55 viol avg 0.242) assign (resid 18 and name HN) (resid 17 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 7.391 assign (resid 18 and name HN) (resid 17 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.892 ! =========== i+1 contacts to residue 18 ============ assign (resid 18 and name HB*) (resid 19 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.309 assign (resid 18 and name HG*) (resid 19 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (70 viol avg 0.367) assign (resid 18 and name HG*) (resid 19 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.044 assign (resid 18 and name HG*) (resid 19 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.765 assign (resid 18 and name HG*) (resid 19 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.632 assign (resid 18 and name HG*) (resid 19 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.274 assign (resid 18 and name HG*) (resid 19 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.924 assign (resid 18 and name HN) (resid 19 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 23. (32 viol avg 0.154) assign (resid 18 and name HN) (resid 19 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 24. (35 viol avg 0.137) assign (resid 18 and name HN) (resid 19 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.892 assign (resid 19 and name HA) (resid 18 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.245 assign (resid 19 and name HA) (resid 18 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.443 assign (resid 19 and name HA) (resid 18 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.462 assign (resid 19 and name HB*) (resid 18 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (54 viol avg 0.535) assign (resid 19 and name HB*) (resid 18 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.656 assign (resid 19 and name HB*) (resid 18 and name HG*) 3.900 2.100 2.100 ! shortened - calc dist 6.851 assign (resid 19 and name HB*) (resid 18 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.685 assign (resid 19 and name HN) (resid 18 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.588 assign (resid 19 and name HN) (resid 18 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.167 assign (resid 19 and name HN) (resid 18 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.756 assign (resid 19 and name HN) (resid 18 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.852 assign (resid 19 and name HN) (resid 18 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.769 ! =========== i+1 contacts to residue 19 ============ assign (resid 19 and name HB*) (resid 20 and name HD**) 3.900 2.100 2.100 ! shortened - calc dist 6.790 assign (resid 19 and name HB*) (resid 20 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.847 assign (resid 19 and name HB*) (resid 20 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.556 assign (resid 19 and name HN) (resid 20 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (54 viol avg 0.252) assign (resid 19 and name HN) (resid 20 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.947 assign (resid 20 and name HB*) (resid 19 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.165 assign (resid 20 and name HB*) (resid 19 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (54 viol avg 0.252) assign (resid 20 and name HG) (resid 19 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.739 assign (resid 20 and name HN) (resid 19 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.647 assign (resid 20 and name HN) (resid 19 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.379 ! =========== i+1 contacts to residue 20 ============ assign (resid 20 and name HB*) (resid 21 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.331 assign (resid 20 and name HD**) (resid 21 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 9.365 assign (resid 20 and name HD**) (resid 21 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.530 assign (resid 20 and name HG) (resid 21 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (70 viol avg 0.198) assign (resid 20 and name HG) (resid 21 and name HB) 3.900 2.100 2.100 ! incr to 6.0 after round 16. (28 viol avg 0.220) assign (resid 20 and name HG) (resid 21 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (86 viol avg 0.287) assign (resid 20 and name HG) (resid 21 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.388 assign (resid 20 and name HN) (resid 21 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (92 viol avg 0.283) assign (resid 20 and name HN) (resid 21 and name HB) 3.900 2.100 2.100 ! no changes - calc dist 5.744 assign (resid 20 and name HN) (resid 21 and name HD1*) 3.900 2.100 2.100 ! incr to 6.0 after round 24. (48 viol avg 0.143) assign (resid 20 and name HN) (resid 21 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (31 viol avg 0.153) assign (resid 20 and name HN) (resid 21 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.267 assign (resid 21 and name HA) (resid 20 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (100 viol avg 0.290) assign (resid 21 and name HA) (resid 20 and name HD**) 3.900 2.100 2.100 ! no changes - calc dist 5.919 assign (resid 21 and name HA) (resid 20 and name HG) 3.900 2.100 2.100 ! shortened - calc dist 7.245 assign (resid 21 and name HA) (resid 20 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (92 viol avg 0.283) assign (resid 21 and name HB) (resid 20 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 23 assign (resid 21 and name HB) (resid 20 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.402 assign (resid 21 and name HD1*) (resid 20 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 24. (48 viol avg 0.143) assign (resid 21 and name HG1*) (resid 20 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (31 viol avg 0.153) assign (resid 21 and name HN) (resid 20 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.299 assign (resid 21 and name HN) (resid 20 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.298 assign (resid 21 and name HN) (resid 20 and name HG) 2.900 1.100 1.100 ! incr to 4.0 after round 24. (27 viol avg 0.134) assign (resid 21 and name HN) (resid 20 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.559 ! =========== i+1 contacts to residue 21 ============ assign (resid 21 and name HA) (resid 22 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (62 viol avg 0.548) assign (resid 21 and name HA) (resid 22 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (92 viol avg 0.335) assign (resid 21 and name HA) (resid 22 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.874 assign (resid 21 and name HB) (resid 22 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.699 assign (resid 21 and name HB) (resid 22 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.724 assign (resid 21 and name HB) (resid 22 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.267 assign (resid 21 and name HD1*) (resid 22 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (76 viol avg 0.242) assign (resid 21 and name HG1*) (resid 22 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.809 assign (resid 21 and name HG1*) (resid 22 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (43 viol avg 0.188) assign (resid 21 and name HG2*) (resid 22 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.782 assign (resid 21 and name HG2*) (resid 22 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.501 assign (resid 21 and name HN) (resid 22 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (94 viol avg 0.755) assign (resid 21 and name HN) (resid 22 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.063 assign (resid 22 and name HA) (resid 21 and name HG1*) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (100 viol avg 0.576) assign (resid 22 and name HB*) (resid 21 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (92 viol avg 0.335) assign (resid 22 and name HB*) (resid 21 and name HB) 3.400 1.600 1.600 ! no changes - calc dist 4.041 assign (resid 22 and name HB*) (resid 21 and name HD1*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (76 viol avg 0.242) assign (resid 22 and name HB*) (resid 21 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 7.283 assign (resid 22 and name HB*) (resid 21 and name HG1*) 3.900 2.100 2.100 ! incr to 6.0 after round 23. (40 viol avg 0.206) assign (resid 22 and name HB*) (resid 21 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.675 assign (resid 22 and name HN) (resid 21 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.462 assign (resid 22 and name HN) (resid 21 and name HB) 3.400 1.600 1.600 ! no changes - calc dist 4.616 assign (resid 22 and name HN) (resid 21 and name HD1*) 3.900 2.100 2.100 ! shortened - calc dist 7.998 assign (resid 22 and name HN) (resid 21 and name HG1*) 3.900 2.100 2.100 ! shortened - calc dist 6.892 assign (resid 22 and name HN) (resid 21 and name HG1*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (43 viol avg 0.188) assign (resid 22 and name HN) (resid 21 and name HG2*) 3.900 2.100 2.100 ! shortened - calc dist 7.856 assign (resid 22 and name HN) (resid 21 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.253 ! =========== i+1 contacts to residue 22 ============ assign (resid 22 and name HA) (resid 23 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.468 assign (resid 22 and name HB*) (resid 23 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (100 viol avg 0.621) assign (resid 22 and name HB*) (resid 23 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.776 assign (resid 22 and name HN) (resid 23 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.641 assign (resid 23 and name HA) (resid 22 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.697 !assign (resid 23 and name HA) (resid 22 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.386 assign (resid 23 and name HB*) (resid 22 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.103 assign (resid 23 and name HN) (resid 22 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.701 assign (resid 23 and name HN) (resid 22 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.216 ! =========== i+1 contacts to residue 23 ============ assign (resid 23 and name HA) (resid 24 and name HA*) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (85 viol avg 0.176) assign (resid 23 and name HA) (resid 24 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.473 assign (resid 23 and name HN) (resid 24 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.871 assign (resid 24 and name HN) (resid 23 and name HA) 2.900 1.100 1.100 ! incr to 4.0 after round 22. (77 viol avg 0.125) ! =========== i+1 contacts to residue 24 ============ assign (resid 24 and name HA*) (resid 25 and name HB) 2.900 1.100 1.100 ! no changes - calc dist 2.889 assign (resid 24 and name HA*) (resid 25 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.203 assign (resid 24 and name HN) (resid 25 and name HB) 3.400 1.600 1.600 ! no changes - calc dist 4.070 assign (resid 24 and name HN) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 8.331 assign (resid 24 and name HN) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 7.338 assign (resid 24 and name HN) (resid 25 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.616 assign (resid 25 and name HB) (resid 24 and name HA*) 2.900 1.100 1.100 ! no changes - calc dist 3.680 assign (resid 25 and name HB) (resid 24 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.841 assign (resid 25 and name HN) (resid 24 and name HA*) 2.300 0.500 0.500 ! no changes - calc dist 2.339 assign (resid 25 and name HN) (resid 24 and name HA*) 3.400 1.600 1.600 ! no changes - calc dist 4.202 assign (resid 25 and name HN) (resid 24 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.872 ! =========== i+1 contacts to residue 25 ============ assign (resid 25 and name HA) (resid 26 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.505 assign (resid 25 and name HB) (resid 26 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.203 assign (resid 25 and name HN) (resid 26 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (43 viol avg 0.188) assign (resid 25 and name HN) (resid 26 and name HB) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (99 viol avg 0.366) assign (resid 26 and name HG**) (resid 25 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.505 assign (resid 26 and name HN) (resid 25 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.505 assign (resid 26 and name HN) (resid 25 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 8.386 assign (resid 26 and name HN) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 7.929 assign (resid 26 and name HN) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 6.594 ! =========== i+1 contacts to residue 26 ============ assign (resid 26 and name HA) (resid 27 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 8.378 assign (resid 26 and name HB) (resid 27 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.463 assign (resid 26 and name HG**) (resid 27 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 2.919 assign (resid 26 and name HG**) (resid 27 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.285 assign (resid 26 and name HG**) (resid 27 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.362 assign (resid 26 and name HN) (resid 27 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.462 assign (resid 26 and name HN) (resid 27 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.520 assign (resid 26 and name HN) (resid 27 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.554 assign (resid 27 and name HA) (resid 26 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 6.786 assign (resid 27 and name HA) (resid 26 and name HG**) 3.400 1.600 1.600 ! no changes - calc dist 4.503 assign (resid 27 and name HA) (resid 26 and name HG**) 3.400 1.600 1.600 ! no changes - calc dist 4.154 assign (resid 27 and name HB*) (resid 26 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (98 viol avg 0.217) assign (resid 27 and name HG*) (resid 26 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.703 assign (resid 27 and name HG*) (resid 26 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.152 assign (resid 27 and name HG*) (resid 26 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.028 assign (resid 27 and name HN) (resid 26 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.468 assign (resid 27 and name HN) (resid 26 and name HB) 2.900 1.100 1.100 ! no changes - calc dist 2.858 assign (resid 27 and name HN) (resid 26 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 8.283 assign (resid 27 and name HN) (resid 26 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 7.497 assign (resid 27 and name HN) (resid 26 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (66 viol avg 0.336) ! =========== i+1 contacts to residue 27 ============ assign (resid 27 and name HA) (resid 28 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (35 viol avg 0.134) assign (resid 27 and name HA) (resid 28 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (35 viol avg 0.134) !assign (resid 27 and name HA) (resid 28 and name HG*) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (86 viol avg 0.592) assign (resid 27 and name HA) (resid 28 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.030 assign (resid 28 and name HA) (resid 27 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (98 viol avg 0.605) assign (resid 28 and name HA) (resid 27 and name HB*) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (98 viol avg 0.605) !assign (resid 28 and name HA) (resid 27 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 1.131) assign (resid 28 and name HN) (resid 27 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.886 ! =========== i+1 contacts to residue 28 ============ assign (resid 28 and name HA) (resid 29 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 11.335 assign (resid 28 and name HA) (resid 29 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.461) assign (resid 28 and name HA) (resid 29 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.461) assign (resid 28 and name HA) (resid 29 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.714 assign (resid 28 and name HA) (resid 29 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.242 assign (resid 28 and name HA) (resid 29 and name HG*) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 0.935) assign (resid 28 and name HA) (resid 29 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.016 assign (resid 28 and name HB*) (resid 29 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 7.461 assign (resid 28 and name HB*) (resid 29 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.895 assign (resid 28 and name HB*) (resid 29 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 7.639 assign (resid 28 and name HB*) (resid 29 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.885 assign (resid 28 and name HD*) (resid 29 and name HD*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (26 viol avg 0.155) assign (resid 28 and name HG*) (resid 29 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.069 assign (resid 28 and name HG*) (resid 29 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.216 assign (resid 28 and name HN) (resid 29 and name HD*) 2.300 0.500 0.500 ! no changes - calc dist 2.092 assign (resid 28 and name HN) (resid 29 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.988 assign (resid 29 and name HA) (resid 28 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.449) assign (resid 29 and name HA) (resid 28 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (57 viol avg 0.147) assign (resid 29 and name HD*) (resid 28 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.185 assign (resid 29 and name HD*) (resid 28 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.150 assign (resid 29 and name HD*) (resid 28 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.213 assign (resid 29 and name HD*) (resid 28 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.502 assign (resid 29 and name HD*) (resid 28 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 7.368 assign (resid 29 and name HD*) (resid 28 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.064 assign (resid 29 and name HD*) (resid 28 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.285 assign (resid 29 and name HD*) (resid 28 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.690 assign (resid 29 and name HD*) (resid 28 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.699 assign (resid 29 and name HD*) (resid 28 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.219 ! =========== i+1 contacts to residue 29 ============ assign (resid 29 and name HA) (resid 30 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.799 assign (resid 29 and name HA) (resid 30 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.038 assign (resid 29 and name HA) (resid 30 and name HE*) 3.400 1.600 1.600 ! no changes - calc dist 4.337 assign (resid 29 and name HA) (resid 30 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.974 assign (resid 29 and name HB*) (resid 30 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.781 assign (resid 29 and name HB*) (resid 30 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.014 assign (resid 29 and name HB*) (resid 30 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.367 assign (resid 29 and name HD*) (resid 30 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.557 assign (resid 29 and name HD*) (resid 30 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.140 assign (resid 29 and name HG*) (resid 30 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.856 assign (resid 29 and name HG*) (resid 30 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.442 assign (resid 29 and name HG*) (resid 30 and name HN) 2.300 0.500 0.500 ! no changes - calc dist 1.892 assign (resid 30 and name HA) (resid 29 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 8.655 assign (resid 30 and name HA) (resid 29 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.114 assign (resid 30 and name HN) (resid 29 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.097 assign (resid 30 and name HN) (resid 29 and name HB*) 2.900 1.100 1.100 ! no changes - calc dist 3.765 assign (resid 30 and name HN) (resid 29 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.997 assign (resid 30 and name HN) (resid 29 and name HD*) 2.300 0.500 0.500 ! lengthened - calc dist 1.635 assign (resid 30 and name HN) (resid 29 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.142 assign (resid 30 and name HN) (resid 29 and name HG*) 2.300 0.500 0.500 ! no changes - calc dist 2.293 ! =========== i+1 contacts to residue 30 ============ assign (resid 30 and name HA) (resid 31 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.845 assign (resid 30 and name HN) (resid 31 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.081 assign (resid 30 and name HN) (resid 31 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.986 assign (resid 31 and name HA) (resid 30 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (39 viol avg 0.148) assign (resid 31 and name HN) (resid 30 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.507 assign (resid 31 and name HN) (resid 30 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.611 ! =========== i+1 contacts to residue 31 ============ ! -------------------------------------------------------------------------- ! i +/- 2 contacts ! =========== i+2 contacts to residue 1 ============ assign (resid 1 and name HB*) (resid 3 and name HD*) 3.900 2.100 2.100 ! incr to 6.0 after round 11. (68 viol avg 0.337) assign (resid 1 and name HB*) (resid 3 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (27 viol avg 0.141) !assign (resid 1 and name HN) (resid 3 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (73 viol avg 0.230) assign (resid 1 and name HN) (resid 3 and name HD*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (64 viol avg 0.157) assign (resid 1 and name HN) (resid 3 and name HE*) 2.900 1.100 1.100 ! incr to 4.0 after round 11. (72 viol avg 0.329) !assign (resid 3 and name HB*) (resid 1 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (73 viol avg 0.230) assign (resid 3 and name HD*) (resid 1 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (64 viol avg 0.157) assign (resid 3 and name HN) (resid 1 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (54 viol avg 0.273) ! =========== i+2 contacts to residue 2 ============ ! =========== i+2 contacts to residue 3 ============ assign (resid 3 and name HA) (resid 5 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (88 viol avg 0.628) assign (resid 3 and name HB*) (resid 5 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (55 viol avg 0.124) assign (resid 5 and name HA) (resid 3 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (100 viol avg 0.280) assign (resid 5 and name HB*) (resid 3 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (55 viol avg 0.124) assign (resid 5 and name HB*) (resid 3 and name HD*) 2.900 1.100 1.100 ! incr to 4.0 after round 16. (51 viol avg 0.128) ! =========== i+2 contacts to residue 4 ============ ! =========== i+2 contacts to residue 5 ============ assign (resid 5 and name HB*) (resid 7 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (82 viol avg 0.727) ! =========== i+2 contacts to residue 6 ============ assign (resid 6 and name HN) (resid 8 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.960 assign (resid 8 and name HB*) (resid 6 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 2. (77 viol avg 0.634) ! =========== i+2 contacts to residue 7 ============ assign (resid 7 and name HG) (resid 9 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (42 viol avg 0.152) ! =========== i+2 contacts to residue 8 ============ ! =========== i+2 contacts to residue 9 ============ ! =========== i+2 contacts to residue 10 ============ assign (resid 10 and name HB*) (resid 12 and name HD*) 3.900 2.100 2.100 ! incr to 6.0 after round 8. (100 viol avg 0.251) assign (resid 10 and name HB*) (resid 12 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 9. (100 viol avg 0.262) assign (resid 10 and name HG*) (resid 12 and name HD*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 assign (resid 10 and name HG*) (resid 12 and name HE*) 3.900 2.100 2.100 ! incr to 6.0 after round 16. (35 viol avg 0.132) ! =========== i+2 contacts to residue 11 ============ assign (resid 11 and name HB*) (resid 13 and name HD2) 3.400 1.600 1.600 ! no changes - calc dist 4.387 assign (resid 11 and name HB*) (resid 13 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.161 assign (resid 11 and name HG) (resid 13 and name HD2) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (100 viol avg 0.627) assign (resid 11 and name HN) (resid 13 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.611 assign (resid 11 and name HN) (resid 13 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.631 assign (resid 13 and name HB*) (resid 11 and name HD**) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (52 viol avg 0.158) assign (resid 13 and name HB*) (resid 11 and name HG) 3.900 2.100 2.100 ! could be commented out due to major violation after round 22 assign (resid 13 and name HN) (resid 11 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (52 viol avg 0.149) ! =========== i+2 contacts to residue 12 ============ assign (resid 12 and name HA) (resid 14 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.349 !assign (resid 12 and name HB*) (resid 14 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14 assign (resid 12 and name HD*) (resid 14 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 11. (76 viol avg 0.219) assign (resid 12 and name HN) (resid 14 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.203 ! =========== i+2 contacts to residue 13 ============ assign (resid 15 and name HN) (resid 13 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.777 ! =========== i+2 contacts to residue 14 ============ assign (resid 14 and name HB*) (resid 16 and name HN) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (36 viol avg 0.512) ! =========== i+2 contacts to residue 15 ============ assign (resid 15 and name HA) (resid 17 and name HB) 3.900 2.100 2.100 ! shortened - calc dist 7.436 assign (resid 15 and name HA) (resid 17 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (83 viol avg 0.355) assign (resid 17 and name HB) (resid 15 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.780 ! =========== i+2 contacts to residue 16 ============ assign (resid 16 and name HN) (resid 18 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.140 assign (resid 18 and name HG*) (resid 16 and name HN) 2.900 1.100 1.100 ! incr to 4.0 after round 23. (30 viol avg 0.209) assign (resid 18 and name HN) (resid 16 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.534 ! =========== i+2 contacts to residue 17 ============ ! =========== i+2 contacts to residue 18 ============ assign (resid 18 and name HN) (resid 20 and name HG) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (32 viol avg 0.215) assign (resid 18 and name HN) (resid 20 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.070 assign (resid 20 and name HB*) (resid 18 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 assign (resid 20 and name HN) (resid 18 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.228 assign (resid 20 and name HN) (resid 18 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.334 ! =========== i+2 contacts to residue 19 ============ ! =========== i+2 contacts to residue 20 ============ assign (resid 20 and name HN) (resid 22 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (39 viol avg 0.139) assign (resid 22 and name HN) (resid 20 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (39 viol avg 0.139) ! =========== i+2 contacts to residue 21 ============ assign (resid 21 and name HA) (resid 23 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.797 assign (resid 21 and name HB) (resid 23 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.085 assign (resid 23 and name HN) (resid 21 and name HG2*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (33 viol avg 0.197) ! =========== i+2 contacts to residue 22 ============ ! =========== i+2 contacts to residue 23 ============ assign (resid 23 and name HA) (resid 25 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.759 ! =========== i+2 contacts to residue 24 ============ assign (resid 24 and name HA*) (resid 26 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 10.120 ! =========== i+2 contacts to residue 25 ============ ! =========== i+2 contacts to residue 26 ============ ! =========== i+2 contacts to residue 27 ============ ! =========== i+2 contacts to residue 28 ============ ! =========== i+2 contacts to residue 29 ============ assign (resid 29 and name HA) (resid 31 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.165 ! =========== i+2 contacts to residue 30 ============ ! =========== i+2 contacts to residue 31 ============ ! -------------------------------------------------------------------------- ! i +/- 3 contacts ! =========== i+3 contacts to residue 1 ============ assign (resid 1 and name HA) (resid 4 and name HG*) 3.400 1.600 1.600 ! no changes - calc dist 4.503 assign (resid 1 and name HA) (resid 4 and name HG*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (68 viol avg 0.292) assign (resid 4 and name HG*) (resid 1 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (68 viol avg 0.292) assign (resid 4 and name HG*) (resid 1 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (68 viol avg 0.292) ! =========== i+3 contacts to residue 2 ============ assign (resid 5 and name HN) (resid 2 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.784 ! =========== i+3 contacts to residue 3 ============ assign (resid 3 and name HA) (resid 6 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.980 assign (resid 3 and name HA) (resid 6 and name HE*) 2.900 1.100 1.100 ! no changes - calc dist 3.606 assign (resid 3 and name HB*) (resid 6 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 8.199 assign (resid 3 and name HB*) (resid 6 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (32 viol avg 0.132) assign (resid 3 and name HD*) (resid 6 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.230 assign (resid 3 and name HD*) (resid 6 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.397) assign (resid 3 and name HN) (resid 6 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.957 assign (resid 3 and name HN) (resid 6 and name HE*) 3.400 1.600 1.600 ! no changes - calc dist 4.410 assign (resid 3 and name HN) (resid 6 and name HN) 3.400 1.600 1.600 ! no changes - calc dist 4.865 assign (resid 6 and name HB*) (resid 3 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.888 assign (resid 6 and name HB*) (resid 3 and name HD*) 3.900 2.100 2.100 ! shortened - calc dist 8.291 assign (resid 6 and name HB*) (resid 3 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 assign (resid 6 and name HD*) (resid 3 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.103 assign (resid 6 and name HD*) (resid 3 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (77 viol avg 0.681) assign (resid 6 and name HD*) (resid 3 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 3.439 assign (resid 6 and name HN) (resid 3 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.093 ! =========== i+3 contacts to residue 4 ============ assign (resid 7 and name HG) (resid 4 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.136 assign (resid 7 and name HN) (resid 4 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.483 ! =========== i+3 contacts to residue 5 ============ assign (resid 5 and name HB*) (resid 8 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.359 ! =========== i+3 contacts to residue 6 ============ assign (resid 6 and name HD*) (resid 9 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.875 assign (resid 6 and name HE*) (resid 9 and name HB*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 9 assign (resid 9 and name HB*) (resid 6 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.624 assign (resid 9 and name HB*) (resid 6 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.231 assign (resid 9 and name HB*) (resid 6 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (85 viol avg 0.249) ! =========== i+3 contacts to residue 7 ============ assign (resid 7 and name HA) (resid 10 and name HG*) 2.900 1.100 1.100 ! no changes - calc dist 3.229 assign (resid 10 and name HG*) (resid 7 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.603 ! =========== i+3 contacts to residue 8 ============ assign (resid 8 and name HA) (resid 11 and name HB*) 3.400 1.600 1.600 ! no changes - calc dist 4.919 assign (resid 11 and name HB*) (resid 8 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.276 assign (resid 11 and name HB*) (resid 8 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 16 assign (resid 11 and name HD**) (resid 8 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.551 ! =========== i+3 contacts to residue 9 ============ assign (resid 12 and name HD*) (resid 9 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (33 viol avg 0.336) assign (resid 12 and name HE*) (resid 9 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.670 ! =========== i+3 contacts to residue 10 ============ assign (resid 10 and name HA) (resid 13 and name HD2) 2.900 1.100 1.100 ! no changes - calc dist 3.806 assign (resid 10 and name HB*) (resid 13 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.530) assign (resid 10 and name HB*) (resid 13 and name HD2) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (29 viol avg 0.112) assign (resid 10 and name HB*) (resid 13 and name HD2) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (29 viol avg 0.112) assign (resid 10 and name HG*) (resid 13 and name HB*) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (36 viol avg 0.155) assign (resid 10 and name HG*) (resid 13 and name HD2) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (83 viol avg 0.283) assign (resid 13 and name HD2) (resid 10 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.592 assign (resid 13 and name HD2) (resid 10 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (29 viol avg 0.112) assign (resid 13 and name HD2) (resid 10 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (29 viol avg 0.112) assign (resid 13 and name HD2) (resid 10 and name HG*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (83 viol avg 0.283) assign (resid 13 and name HD2) (resid 10 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (92 viol avg 0.212) ! =========== i+3 contacts to residue 11 ============ assign (resid 14 and name HG) (resid 11 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 23 assign (resid 14 and name HN) (resid 11 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15 !assign (resid 14 and name HN) (resid 11 and name HG) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14 ! =========== i+3 contacts to residue 12 ============ assign (resid 12 and name HA) (resid 15 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (35 viol avg 0.233) assign (resid 12 and name HA) (resid 15 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 6.254 assign (resid 12 and name HB*) (resid 15 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (27 viol avg 0.222) assign (resid 15 and name HB*) (resid 12 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.503 ! =========== i+3 contacts to residue 13 ============ ! =========== i+3 contacts to residue 14 ============ !assign (resid 17 and name HG1*) (resid 14 and name HG) 3.900 2.100 2.100 ! incr to 6.0 after round 2. (53 viol avg 0.758) assign (resid 17 and name HG2*) (resid 14 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.604 ! =========== i+3 contacts to residue 15 ============ assign (resid 15 and name HA) (resid 18 and name HB*) 3.900 2.100 2.100 ! shortened - calc dist 7.791 assign (resid 18 and name HB*) (resid 15 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.332 assign (resid 18 and name HB*) (resid 15 and name HA) 3.900 2.100 2.100 ! no changes - calc dist 5.495 ! =========== i+3 contacts to residue 16 ============ assign (resid 16 and name HA*) (resid 19 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.205 assign (resid 16 and name HN) (resid 19 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (65 viol avg 0.888) assign (resid 19 and name HB*) (resid 16 and name HA*) 3.400 1.600 1.600 ! no changes - calc dist 4.136 assign (resid 19 and name HB*) (resid 16 and name HN) 3.900 2.100 2.100 ! shortened - calc dist 6.470 ! =========== i+3 contacts to residue 17 ============ assign (resid 17 and name HA) (resid 20 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.514 assign (resid 17 and name HA) (resid 20 and name HB*) 3.900 2.100 2.100 ! no changes - calc dist 5.021 assign (resid 17 and name HA) (resid 20 and name HG) 3.400 1.600 1.600 ! no changes - calc dist 4.494 assign (resid 17 and name HA) (resid 20 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (87 viol avg 0.184) assign (resid 20 and name HB*) (resid 17 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (78 viol avg 0.178) assign (resid 20 and name HG) (resid 17 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.320 assign (resid 20 and name HN) (resid 17 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (87 viol avg 0.184) assign (resid 20 and name HN) (resid 17 and name HG2*) 3.900 2.100 2.100 ! incr to 6.0 after round 9. (64 viol avg 0.262) ! =========== i+3 contacts to residue 18 ============ assign (resid 18 and name HA) (resid 21 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 22. (29 viol avg 0.150) assign (resid 18 and name HA) (resid 21 and name HB) 3.900 2.100 2.100 ! no changes - calc dist 5.081 assign (resid 18 and name HA) (resid 21 and name HD1*) 3.400 1.600 1.600 ! no changes - calc dist 4.689 assign (resid 18 and name HA) (resid 21 and name HG1*) 2.900 1.100 1.100 ! no changes - calc dist 3.420 assign (resid 18 and name HN) (resid 21 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 23 assign (resid 21 and name HA) (resid 18 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 22. (29 viol avg 0.150) assign (resid 21 and name HB) (resid 18 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 6.834 assign (resid 21 and name HD1*) (resid 18 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 9.140 assign (resid 21 and name HG1*) (resid 18 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 7.802 assign (resid 21 and name HG1*) (resid 18 and name HN) 3.900 2.100 2.100 ! no changes - calc dist 5.837 assign (resid 21 and name HG1*) (resid 18 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.833 assign (resid 21 and name HG1*) (resid 18 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 24. (31 viol avg 0.215) assign (resid 21 and name HG2*) (resid 18 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 9.032 assign (resid 21 and name HN) (resid 18 and name HA) 3.900 2.100 2.100 ! shortened - calc dist 8.694 assign (resid 21 and name HN) (resid 18 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 23. (67 viol avg 0.190) ! =========== i+3 contacts to residue 19 ============ assign (resid 19 and name HN) (resid 22 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 ! assign (resid 22 and name HN) (resid 19 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14 ! =========== i+3 contacts to residue 20 ============ assign (resid 20 and name HA) (resid 23 and name HA) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (87 viol avg 0.207) assign (resid 20 and name HN) (resid 23 and name HN) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (100 viol avg 0.430) assign (resid 23 and name HN) (resid 20 and name HA) 2.900 1.100 1.100 ! no changes - calc dist 3.680 ! =========== i+3 contacts to residue 21 ============ ! =========== i+3 contacts to residue 22 ============ assign (resid 22 and name HA) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 9.833 assign (resid 22 and name HN) (resid 25 and name HG**) 3.900 2.100 2.100 ! shortened - calc dist 8.056 assign (resid 25 and name HG**) (resid 22 and name HA) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (59 viol avg 0.340) ! =========== i+3 contacts to residue 23 ============ assign (resid 23 and name HA) (resid 26 and name HG**) 2.900 1.100 1.100 ! no changes - calc dist 3.311 ! =========== i+3 contacts to residue 24 ============ ! =========== i+3 contacts to residue 25 ============ ! =========== i+3 contacts to residue 26 ============ ! =========== i+3 contacts to residue 27 ============ ! =========== i+3 contacts to residue 28 ============ ! =========== i+3 contacts to residue 29 ============ ! =========== i+3 contacts to residue 30 ============ ! =========== i+3 contacts to residue 31 ============ ! -------------------------------------------------------------------------- ! i +/- 4 contacts ! =========== i+4 contacts to residue 1 ============ ! =========== i+4 contacts to residue 2 ============ ! =========== i+4 contacts to residue 3 ============ assign (resid 3 and name HB*) (resid 7 and name HB*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15 assign (resid 3 and name HB*) (resid 7 and name HD**) 3.400 1.600 1.600 ! no changes - calc dist 4.294 !assign (resid 3 and name HD*) (resid 7 and name HB*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 8 !assign (resid 3 and name HD*) (resid 7 and name HD**) 2.900 1.100 1.100 ! no changes - calc dist 3.062 !assign (resid 3 and name HD*) (resid 7 and name HD**) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (56 viol avg 0.958) assign (resid 7 and name HD**) (resid 3 and name HB*) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (99 viol avg 0.294) !assign (resid 7 and name HD**) (resid 3 and name HD*) 2.900 1.100 1.100 ! no changes - calc dist 3.874 assign (resid 7 and name HD**) (resid 3 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 ! =========== i+4 contacts to residue 4 ============ ! =========== i+4 contacts to residue 5 ============ ! =========== i+4 contacts to residue 6 ============ assign (resid 10 and name HB*) (resid 6 and name HD*) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (52 viol avg 0.812) assign (resid 10 and name HB*) (resid 6 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (68 viol avg 0.942) assign (resid 10 and name HG*) (resid 6 and name HD*) 3.400 1.600 1.600 ! no changes - calc dist 4.204 assign (resid 10 and name HG*) (resid 6 and name HE*) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (80 viol avg 1.088) ! =========== i+4 contacts to residue 7 ============ ! =========== i+4 contacts to residue 8 ============ ! =========== i+4 contacts to residue 9 ============ ! =========== i+4 contacts to residue 10 ============ ! =========== i+4 contacts to residue 11 ============ ! =========== i+4 contacts to residue 12 ============ ! =========== i+4 contacts to residue 13 ============ ! =========== i+4 contacts to residue 14 ============ assign (resid 14 and name HD**) (resid 18 and name HG*) 3.900 2.100 2.100 ! no changes - calc dist 5.069 assign (resid 14 and name HD**) (resid 18 and name HG*) 3.400 1.600 1.600 ! incr to 5.0 after round 16. (47 viol avg 0.177) assign (resid 14 and name HN) (resid 18 and name HA) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 ! assign (resid 18 and name HB*) (resid 22 and name HN) 2.900 1.100 1.100 ! no changes - calc dist 2.895 ! =========== i+4 contacts to residue 15 ============ ! =========== i+4 contacts to residue 16 ============ ! =========== i+4 contacts to residue 17 ============ assign (resid 17 and name HG2*) (resid 21 and name HA) 3.400 1.600 1.600 ! no changes - calc dist 4.467 ! =========== i+4 contacts to residue 18 ============ assign (resid 18 and name HB*) (resid 22 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 23 ! =========== i+4 contacts to residue 19 ============ ! =========== i+4 contacts to residue 20 ============ ! =========== i+4 contacts to residue 21 ============ assign (resid 21 and name HA) (resid 25 and name HG**) 3.900 2.100 2.100 ! could be commented out due to major violation after round 8 ! =========== i+4 contacts to residue 22 ============ ! =========== i+4 contacts to residue 23 ============ ! =========== 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+4 contacts to residue 28 ============ ! =========== i+4 contacts to residue 29 ============ ! =========== i+4 contacts to residue 30 ============ ! =========== i+4 contacts to residue 31 ============ ! -------------------------------------------------------------------------- ! 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 ============ assign (resid 16 and name HN) (resid 21 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 assign (resid 21 and name HN) (resid 16 and name HN) 3.900 2.100 2.100 ! could be commented out due to major violation after round 24 ! =========== 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 ============ ! =========== i+5 or longer contacts to residue 21 ============ ! =========== i+5 or longer contacts to residue 22 ============ ! =========== 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 ============ ! =========== i+5 or longer contacts to residue 28 ============ ! =========== i+5 or longer contacts to residue 29 ============ ! =========== i+5 or longer contacts to residue 30 ============ ! =========== i+5 or longer contacts to residue 31 ============
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