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 |
|
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11133 |
1qzp   |
5968 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!distance constraints for Dematin Headpiece. B.S. Frank et. al. assign (resid 9 and name HA) (resid 9 and name HB#) 5.1 3.3 0.0 ! -7.11e-01 assign (resid 11 and name HB#) (resid 11 and name HD11) 5.1 3.3 0.0 ! 2.48e+00 assign (resid 11 and name HB#) (resid 11 and name HD21) 5.1 3.3 0.0 ! 1.82e+00 assign (resid 12 and name HE2#) (resid 13 and name HD11) 5.1 3.3 0.0 ! 8.86e-01 assign (resid 12 and name HE2#) (resid 13 and name HG21) 5.1 3.3 0.0 ! 7.10e-01 assign (resid 14 and name HE#) (resid 12 and name HB#) 3.5 1.7 0.0 ! 2.75e+00 assign (resid 12 and name HN) (resid 14 and name HE#) 5.1 3.3 0.0 ! 1.07e+00 assign (resid 14 and name HD#) (resid 13 and name HG21) 5.1 3.3 0.0 ! 1.17e+00 assign (resid 14 and name HD#) (resid 14 and name HA) 3.5 1.7 0.0 ! 3.75e+00 assign (resid 14 and name HD#) (resid 14 and name HB#) 3 1.2 0.0 ! 4.16e+00 assign (resid 14 and name HD#) (resid 14 and name HE#) 3 1.2 0.0 ! 1.66e+01 assign (resid 14 and name HD#) (resid 15 and name HD#) 3.5 1.7 0.0 ! 2.79e+00 assign (resid 16 and name HN) (resid 15 and name HB#) 5.1 3.3 0.0 ! 1.14e+00 assign (resid 16 and name HD#) (resid 16 and name HA) 3.5 1.7 0.0 ! 5.06e+00 assign (resid 16 and name HD#) (resid 16 and name HB#) 3 1.2 0.0 ! 3.92e+00 assign (resid 16 and name HD#) (resid 16 and name HE#) 3 1.2 0.0 ! 1.50e+01 assign (resid 17 and name HA) (resid 17 and name HB#) 3 1.2 0.0 ! 5.92e+00 assign (resid 17 and name HA) (resid 17 and name HG#) 3.5 1.7 0.0 ! 2.45e+00 assign (resid 17 and name HN) (resid 17 and name HB#) 3 1.2 0.0 ! 5.74e+00 assign (resid 18 and name HN) (resid 15 and name HD#) 5.1 3.3 0.0 ! 1.33e+00 assign (resid 18 and name HN) (resid 17 and name HB#) 5.1 3.3 0.0 ! 1.78e+00 assign (resid 14 and name HD#) (resid 19 and name HD11) 5.1 3.3 0.0 ! 1.41e+00 assign (resid 14 and name HD#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 2.84e+00 assign (resid 16 and name HD#) (resid 20 and name HG11) 5.1 3.3 0.0 ! 1.31e+00 assign (resid 16 and name HE#) (resid 20 and name HG11) 5.1 3.3 0.0 ! 2.88e+00 assign (resid 16 and name HD#) (resid 20 and name HG21) 5.1 3.3 0.0 ! 2.00e+00 assign (resid 16 and name HE#) (resid 20 and name HG21) 5.1 3.3 0.0 ! 3.34e+00 assign (resid 24 and name HN) (resid 23 and name HB#) 5.1 3.3 0.0 ! 6.96e-01 assign (resid 28 and name HA) (resid 28 and name HB#) 3.5 1.7 0.0 ! 3.41e+00 assign (resid 14 and name HD#) (resid 30 and name HB#) 5.1 3.3 0.0 ! 1.20e+00 assign (resid 30 and name HD#) (resid 29 and name HD11) 5.1 3.3 0.0 ! 1.96e+00 assign (resid 29 and name HA) (resid 30 and name HD#) 3 1.2 0.0 ! 5.56e+00 assign (resid 30 and name HD#) (resid 30 and name HB#) 5.1 3.3 0.0 ! 2.12e+00 assign (resid 30 and name HD#) (resid 30 and name HG#) 5.1 3.3 0.0 ! 7.39e-01 assign (resid 30 and name HA) (resid 31 and name HD#) 3 1.2 0.0 ! 7.61e+00 assign (resid 31 and name HA) (resid 31 and name HB#) 3 1.2 0.0 ! 7.02e+00 assign (resid 32 and name HN) (resid 32 and name HA#) 3.5 1.7 0.0 ! 2.71e+00 assign (resid 14 and name HD#) (resid 33 and name HG11) 5.1 3.3 0.0 ! 3.78e+00 assign (resid 14 and name HE#) (resid 33 and name HG11) 5.1 3.3 0.0 ! 2.31e+00 assign (resid 14 and name HD#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 6.49e+00 assign (resid 14 and name HE#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 3.15e+00 assign (resid 30 and name HB#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 2.66e+00 assign (resid 30 and name HD#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 1.39e+00 assign (resid 35 and name HA) (resid 35 and name HB#) 5.1 3.3 0.0 ! 2.24e+00 assign (resid 36 and name HG#) (resid 36 and name HB#) 3 1.2 0.0 ! 4.21e+00 assign (resid 36 and name HN) (resid 36 and name HB#) 3.5 1.7 0.0 ! 3.86e+00 assign (resid 36 and name HN) (resid 36 and name HG#) 5.1 3.3 0.0 ! 1.55e+00 assign (resid 37 and name HD#) (resid 37 and name HG#) 3.5 1.7 0.0 ! 3.74e+00 assign (resid 37 and name HN) (resid 37 and name HB#) 3.5 1.7 0.0 ! 3.17e+00 assign (resid 41 and name HE1) (resid 12 and name HB#) 5.1 3.3 0.0 ! 1.04e+00 assign (resid 14 and name HD#) (resid 41 and name HB#) 5.1 3.3 0.0 ! 1.04e+00 assign (resid 41 and name HE1) (resid 14 and name HD#) 5.1 3.3 0.0 ! 7.33e-01 assign (resid 41 and name HE1) (resid 14 and name HE#) 5.1 3.3 0.0 ! 1.20e+00 assign (resid 41 and name HD2) (resid 40 and name HB#) 5.1 3.3 0.0 ! 9.34e-01 assign (resid 16 and name HD#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 4.49e+00 assign (resid 16 and name HD#) (resid 42 and name HD21) 5.1 3.3 0.0 ! 6.11e+00 assign (resid 44 and name HN) (resid 45 and name HB#) 5.1 3.3 0.0 ! 9.20e-01 assign (resid 45 and name HA) (resid 45 and name HB#) 3 1.2 0.0 ! 4.60e+00 assign (resid 45 and name HN) (resid 45 and name HB#) 3 1.2 0.0 ! 4.76e+00 assign (resid 46 and name HB#) (resid 42 and name HD21) 5.1 3.3 0.0 ! 1.03e+00 assign (resid 46 and name HN) (resid 46 and name HB#) 3.5 1.7 0.0 ! 2.36e+00 assign (resid 47 and name HE#) (resid 39 and name HB#) 5.1 3.3 0.0 ! 2.22e+00 assign (resid 47 and name HE#) (resid 39 and name HG#) 5.1 3.3 0.0 ! 1.48e+00 assign (resid 47 and name HD#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 3.63e+00 assign (resid 47 and name HD#) (resid 42 and name HB1) 5.1 3.3 0.0 ! 1.53e+00 assign (resid 47 and name HD#) (resid 42 and name HB2) 5.1 3.3 0.0 ! 2.08e+00 assign (resid 47 and name HD#) (resid 42 and name HG) 5.1 3.3 0.0 ! 1.34e+00 assign (resid 47 and name HA) (resid 47 and name HB#) 5.1 3.3 0.0 ! 1.80e+00 assign (resid 47 and name HD#) (resid 47 and name HB#) 3 1.2 0.0 ! 5.28e+00 assign (resid 47 and name HD#) (resid 47 and name HA) 3.5 1.7 0.0 ! 3.01e+00 assign (resid 47 and name HD#) (resid 47 and name HE#) 3 1.2 0.0 ! 1.29e+01 assign (resid 47 and name HN) (resid 47 and name HB#) 3 1.2 0.0 ! 4.75e+00 assign (resid 47 and name HN) (resid 47 and name HD#) 5.1 3.3 0.0 ! 1.97e+00 assign (resid 47 and name HD#) (resid 47 and name HZ) 5.1 3.3 0.0 ! 1.36e+00 assign (resid 47 and name HE#) (resid 47 and name HZ) 3 1.2 0.0 ! 8.21e+00 assign (resid 47 and name HD#) (resid 48 and name HB#) 5.1 3.3 0.0 ! 1.14e+00 assign (resid 48 and name HA) (resid 48 and name HB#) 3.5 1.7 0.0 ! 2.99e+00 assign (resid 49 and name HA) (resid 49 and name HB#) 3 1.2 0.0 ! 6.43e+00 assign (resid 49 and name HE) (resid 49 and name HB#) 5.1 3.3 0.0 ! 1.14e+00 assign (resid 49 and name HN) (resid 49 and name HB#) 3 1.2 0.0 ! 6.68e+00 assign (resid 16 and name HD#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 1.41e+00 assign (resid 16 and name HE#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 2.36e+00 assign (resid 16 and name HD#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 2.89e+00 assign (resid 16 and name HE#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 2.32e+00 assign (resid 49 and name HB#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 1.21e+00 assign (resid 51 and name HE#) (resid 39 and name HG#) 5.1 3.3 0.0 ! 1.60e+00 assign (resid 51 and name HE#) (resid 39 and name HB#) 5.1 3.3 0.0 ! 2.25e+00 assign (resid 51 and name HD#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 2.29e+00 assign (resid 51 and name HE#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 4.15e+00 assign (resid 51 and name HD#) (resid 47 and name HA) 3.5 1.7 0.0 ! 2.87e+00 assign (resid 47 and name HD#) (resid 51 and name HD#) 5.1 3.3 0.0 ! 1.72e+00 assign (resid 47 and name HE#) (resid 51 and name HD#) 5.1 3.3 0.0 ! 1.25e+00 assign (resid 47 and name HD#) (resid 51 and name HE#) 5.1 3.3 0.0 ! 1.12e+00 assign (resid 47 and name HE#) (resid 51 and name HE#) 3.5 1.7 0.0 ! 2.79e+00 assign (resid 51 and name HD#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 1.70e+00 assign (resid 51 and name HD#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 1.20e+00 assign (resid 51 and name HE#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 1.22e+00 assign (resid 51 and name HD#) (resid 51 and name HA) 3 1.2 0.0 ! 6.59e+00 assign (resid 51 and name HD#) (resid 51 and name HB#) 3 1.2 0.0 ! 4.33e+00 assign (resid 51 and name HE#) (resid 51 and name HD#) 3 1.2 0.0 ! 1.28e+01 assign (resid 51 and name HZ) (resid 51 and name HD#) 5.1 3.3 0.0 ! 1.77e+00 assign (resid 51 and name HZ) (resid 51 and name HE#) 3 1.2 0.0 ! 8.89e+00 assign (resid 47 and name HE#) (resid 53 and name HE1) 5.1 3.3 0.0 ! 1.58e+00 assign (resid 47 and name HE#) (resid 53 and name HG#) 5.1 3.3 0.0 ! 1.16e+00 assign (resid 53 and name HN) (resid 51 and name HB#) 5.1 3.3 0.0 ! 9.29e-01 assign (resid 53 and name HN) (resid 53 and name HB#) 5.1 3.3 0.0 ! 1.41e+00 assign (resid 54 and name HN) (resid 53 and name HG#) 5.1 3.3 0.0 ! 8.17e-01 assign (resid 47 and name HE#) (resid 55 and name HA) 5.1 3.3 0.0 ! 2.28e+00 assign (resid 55 and name HA) (resid 55 and name HB#) 3 1.2 0.0 ! 4.54e+00 assign (resid 55 and name HD#) (resid 55 and name HG#) 5.1 3.3 0.0 ! 1.67e+00 assign (resid 55 and name HA) (resid 55 and name HG#) 5.1 3.3 0.0 ! 1.94e+00 assign (resid 57 and name HN) (resid 56 and name HG#) 5.1 3.3 0.0 ! 2.15e+00 assign (resid 47 and name HE#) (resid 58 and name HB#) 5.1 3.3 0.0 ! 1.87e+00 assign (resid 47 and name HZ) (resid 58 and name HB#) 5.1 3.3 0.0 ! 1.20e+00 assign (resid 58 and name HD#) (resid 47 and name HE#) 3.5 1.7 0.0 ! 2.69e+00 assign (resid 58 and name HD#) (resid 47 and name HZ) 3.5 1.7 0.0 ! 2.61e+00 assign (resid 58 and name HN) (resid 47 and name HE#) 5.1 3.3 0.0 ! 1.76e+00 assign (resid 51 and name HD#) (resid 58 and name HD#) 5.1 3.3 0.0 ! 1.10e+00 assign (resid 58 and name HE#) (resid 51 and name HD#) 5.1 3.3 0.0 ! 1.02e+00 assign (resid 58 and name HE#) (resid 51 and name HE#) 5.1 3.3 0.0 ! 1.48e+00 assign (resid 58 and name HD#) (resid 53 and name HE1) 5.1 3.3 0.0 ! 2.01e+00 assign (resid 58 and name HN) (resid 53 and name HG#) 5.1 3.3 0.0 ! 5.86e-01 assign (resid 55 and name HA) (resid 58 and name HB#) 3.5 1.7 0.0 ! 2.96e+00 assign (resid 58 and name HD#) (resid 55 and name HA) 5.1 3.3 0.0 ! 1.01e+00 assign (resid 58 and name HA) (resid 58 and name HB#) 5.1 3.3 0.0 ! 1.83e+00 assign (resid 58 and name HD#) (resid 58 and name HA) 3 1.2 0.0 ! 4.52e+00 assign (resid 58 and name HD#) (resid 58 and name HB#) 3 1.2 0.0 ! 4.24e+00 assign (resid 58 and name HD#) (resid 58 and name HE#) 3 1.2 0.0 ! 1.57e+01 assign (resid 58 and name HD#) (resid 58 and name HZ) 3.5 1.7 0.0 ! 3.00e+00 assign (resid 58 and name HE#) (resid 58 and name HZ) 3 1.2 0.0 ! 8.64e+00 assign (resid 59 and name HN) (resid 58 and name HD#) 5.1 3.3 0.0 ! 1.57e+00 assign (resid 59 and name HN) (resid 59 and name HA#) 3.5 1.7 0.0 ! 3.40e+00 assign (resid 60 and name HE#) (resid 60 and name HD#) 3.5 1.7 0.0 ! 3.00e+00 assign (resid 60 and name HA) (resid 60 and name HG#) 3.5 1.7 0.0 ! 3.04e+00 assign (resid 58 and name HD#) (resid 61 and name HD11) 5.1 3.3 0.0 ! 2.64e+00 assign (resid 63 and name HA) (resid 63 and name HB#) 3 1.2 0.0 ! 4.23e+00 assign (resid 63 and name HN) (resid 63 and name HB#) 3 1.2 0.0 ! 4.92e+00 assign (resid 64 and name HA) (resid 64 and name HB#) 3 1.2 0.0 ! 9.29e+00 assign (resid 64 and name HE3) (resid 64 and name HB#) 3 1.2 0.0 ! 1.59e+00 assign (resid 64 and name HN) (resid 64 and name HB#) 3.5 1.7 0.0 ! 2.57e+00 assign (resid 62 and name HB1) (resid 65 and name HB#) 5.1 3.3 0.0 ! 1.69e+00 assign (resid 64 and name HE3) (resid 65 and name HB#) 5.1 3.3 0.0 ! 1.09e+00 assign (resid 65 and name HA) (resid 65 and name HB#) 3.5 1.7 0.0 ! 2.93e+00 assign (resid 65 and name HA) (resid 65 and name HD#) 5.1 3.3 0.0 ! 1.36e+00 assign (resid 65 and name HG#) (resid 65 and name HB#) 5.1 3.3 0.0 ! 1.68e+00 assign (resid 65 and name HN) (resid 65 and name HB#) 3.5 1.7 0.0 ! 2.37e+00 assign (resid 58 and name HE#) (resid 66 and name HA) 5.1 3.3 0.0 ! 1.71e+00 assign (resid 58 and name HE#) (resid 66 and name HB2) 5.1 3.3 0.0 ! 2.15e+00 assign (resid 58 and name HE#) (resid 66 and name HG#) 5.1 3.3 0.0 ! 7.68e-01 assign (resid 66 and name HA) (resid 66 and name HG#) 5.1 3.3 0.0 ! 1.10e+00 assign (resid 66 and name HD#) (resid 66 and name HG#) 5.1 3.3 0.0 ! 1.13e+00 assign (resid 67 and name HD2#) (resid 67 and name HB2) 5.1 3.3 0.0 ! 1.84e+00 assign (resid 64 and name HE3) (resid 68 and name HB#) 5.1 3.3 0.0 ! 1.18e+00 assign (resid 65 and name HA) (resid 68 and name HB#) 3.5 1.7 0.0 ! 2.93e+00 assign (resid 68 and name HA) (resid 68 and name HB#) 3 1.2 0.0 ! 4.77e+00 assign (resid 68 and name HB#) (resid 68 and name HG#) 3.5 1.7 0.0 ! 3.31e+00 assign (resid 68 and name HN) (resid 68 and name HB#) 3 1.2 0.0 ! 6.67e+00 assign (resid 51 and name HD#) (resid 69 and name HB1) 5.1 3.3 0.0 ! 2.22e+00 assign (resid 51 and name HE#) (resid 69 and name HB1) 5.1 3.3 0.0 ! 1.71e+00 assign (resid 51 and name HD#) (resid 69 and name HB2) 5.1 3.3 0.0 ! 2.01e+00 assign (resid 51 and name HD#) (resid 69 and name HD21) 5.1 3.3 0.0 ! 2.12e+00 assign (resid 58 and name HD#) (resid 69 and name HB2) 5.1 3.3 0.0 ! 1.21e+00 assign (resid 58 and name HE#) (resid 69 and name HB2) 3.5 1.7 0.0 ! 2.67e+00 assign (resid 58 and name HD#) (resid 69 and name HD11) 5.1 3.3 0.0 ! 4.36e+00 assign (resid 58 and name HE#) (resid 69 and name HD11) 3.5 1.7 0.0 ! 7.20e+00 assign (resid 51 and name HE#) (resid 70 and name HA) 3 1.2 0.0 ! 3.89e+00 assign (resid 70 and name HN) (resid 51 and name HE#) 5.1 3.3 0.0 ! 7.45e-01 assign (resid 58 and name HZ) (resid 70 and name HD#) 5.1 3.3 0.0 ! 1.34e+00 assign (resid 70 and name HN) (resid 58 and name HE#) 5.1 3.3 0.0 ! 8.92e-01 assign (resid 70 and name HN) (resid 70 and name HG#) 5.1 3.3 0.0 ! 1.66e+00 assign (resid 70 and name HN) (resid 71 and name HE#) 5.1 3.3 0.0 ! 1.18e+00 assign (resid 71 and name HN) (resid 71 and name HB#) 3.5 1.7 0.0 ! 3.22e+00 assign (resid 16 and name HE#) (resid 73 and name HB1) 5.1 3.3 0.0 ! 4.51e+00 assign (resid 51 and name HE#) (resid 73 and name HB1) 5.1 3.3 0.0 ! 3.46e+00 assign (resid 16 and name HD#) (resid 75 and name HD11) 3.5 1.7 0.0 ! 4.78e+00 assign (resid 16 and name HE#) (resid 75 and name HD11) 3.5 1.7 0.0 ! 6.68e+00 assign (resid 16 and name HE#) (resid 75 and name HD21) 3.5 1.7 0.0 ! 4.87e+00 assign (resid 16 and name HD#) (resid 75 and name HG) 5.1 3.3 0.0 ! 1.09e+00 assign (resid 16 and name HE#) (resid 75 and name HG) 3 1.2 0.0 ! 4.14e+00 assign (resid 51 and name HE#) (resid 75 and name HG) 5.1 3.3 0.0 ! 9.34e-01 assign (resid 76 and name HD#) (resid 67 and name HB2) 5.1 3.3 0.0 ! 9.92e-01 assign (resid 76 and name HD#) (resid 70 and name HE#) 5.1 3.3 0.0 ! 1.47e+00 assign (resid 71 and name HA) (resid 76 and name HB#) 3.5 1.7 0.0 ! 2.63e+00 assign (resid 76 and name HD#) (resid 71 and name HA) 5.1 3.3 0.0 ! 1.71e+00 assign (resid 71 and name HN) (resid 76 and name HD#) 5.1 3.3 0.0 ! 7.40e-01 assign (resid 76 and name HA) (resid 76 and name HB#) 3.5 1.7 0.0 ! 2.54e+00 assign (resid 76 and name HD#) (resid 76 and name HA) 5.1 3.3 0.0 ! 1.92e+00 assign (resid 76 and name HD#) (resid 76 and name HB#) 3.5 1.7 0.0 ! 2.41e+00 assign (resid 76 and name HE#) (resid 76 and name HD#) 3 1.2 0.0 ! 2.28e+01 assign (resid 76 and name HN) (resid 76 and name HB#) 3.5 1.7 0.0 ! 2.44e+00 assign (resid 14 and name HE#) (resid 12 and name HA) 5.1 3.3 0.0 ! 5.23e-01 assign (resid 14 and name HD#) (resid 13 and name HA) 5.1 3.3 0.0 ! 5.82e-01 assign (resid 14 and name HA) (resid 14 and name HB#) 3.5 1.7 0.0 ! 1.76e+00 assign (resid 14 and name HE#) (resid 14 and name HA) 5.1 3.3 0.0 ! 4.74e-01 assign (resid 14 and name HA) (resid 15 and name HD#) 3.5 1.7 0.0 ! 1.28e+00 assign (resid 15 and name HA) (resid 15 and name HB#) 3 1.2 0.0 ! 3.44e+00 assign (resid 15 and name HA) (resid 15 and name HG#) 3.5 1.7 0.0 ! 1.38e+00 assign (resid 16 and name HA) (resid 16 and name HB#) 3 1.2 0.0 ! 2.24e+00 assign (resid 16 and name HA) (resid 16 and name HB#) 3.5 1.7 0.0 ! 1.77e+00 assign (resid 16 and name HE#) (resid 16 and name HA) 5.1 3.3 0.0 ! 7.60e-01 assign (resid 16 and name HE#) (resid 16 and name HB#) 5.1 3.3 0.0 ! 5.95e-01 assign (resid 16 and name HE#) (resid 16 and name HB#) 5.1 3.3 0.0 ! 8.19e-01 assign (resid 16 and name HD#) (resid 17 and name HA) 5.1 3.3 0.0 ! 7.65e-01 assign (resid 16 and name HE#) (resid 17 and name HA) 5.1 3.3 0.0 ! 3.56e-01 assign (resid 16 and name HD#) (resid 17 and name HG#) 5.1 3.3 0.0 ! 5.91e-01 assign (resid 18 and name HA) (resid 18 and name HG#) 3 1.2 0.0 ! 2.59e+00 assign (resid 14 and name HB#) (resid 19 and name HD11) 3.5 1.7 0.0 ! 2.30e+00 assign (resid 14 and name HE#) (resid 19 and name HD11) 5.1 3.3 0.0 ! 4.91e-01 assign (resid 14 and name HB#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 1.15e+00 assign (resid 14 and name HE#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 6.57e-01 assign (resid 16 and name HD#) (resid 19 and name HD11) 5.1 3.3 0.0 ! 8.41e-01 assign (resid 16 and name HE#) (resid 20 and name HA) 5.1 3.3 0.0 ! 4.26e-01 assign (resid 16 and name HE#) (resid 20 and name HB) 5.1 3.3 0.0 ! 4.00e-01 assign (resid 23 and name HA) (resid 23 and name HB#) 3 1.2 0.0 ! 3.98e+00 assign (resid 26 and name HA) (resid 26 and name HB#) 3 1.2 0.0 ! 4.10e+00 assign (resid 30 and name HD#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 7.29e-01 assign (resid 30 and name HA) (resid 30 and name HB#) 3 1.2 0.0 ! 2.72e+00 assign (resid 31 and name HD#) (resid 31 and name HB#) 5.1 3.3 0.0 ! 5.27e-01 assign (resid 31 and name HA) (resid 31 and name HG#) 3.5 1.7 0.0 ! 1.41e+00 assign (resid 31 and name HD#) (resid 31 and name HG#) 3.5 1.7 0.0 ! 1.24e+00 assign (resid 14 and name HE#) (resid 33 and name HA) 5.1 3.3 0.0 ! 4.53e-01 assign (resid 30 and name HB#) (resid 33 and name HG11) 5.1 3.3 0.0 ! 6.01e-01 assign (resid 30 and name HD#) (resid 33 and name HG11) 5.1 3.3 0.0 ! 6.89e-01 assign (resid 30 and name HG#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 1.41e+00 assign (resid 34 and name HB#) (resid 11 and name HD21) 5.1 3.3 0.0 ! 1.14e+00 assign (resid 33 and name HA) (resid 34 and name HB#) 3.5 1.7 0.0 ! 1.43e+00 assign (resid 34 and name HA) (resid 34 and name HB#) 3 1.2 0.0 ! 3.11e+00 assign (resid 36 and name HA) (resid 36 and name HB#) 3 1.2 0.0 ! 5.98e+00 assign (resid 36 and name HA) (resid 36 and name HG#) 3 1.2 0.0 ! 2.02e+00 assign (resid 37 and name HA) (resid 37 and name HB#) 3 1.2 0.0 ! 2.43e+00 assign (resid 37 and name HA) (resid 37 and name HD#) 3 1.2 0.0 ! 2.62e+00 assign (resid 37 and name HA) (resid 37 and name HG#) 3 1.2 0.0 ! 3.14e+00 assign (resid 40 and name HD#) (resid 11 and name HD11) 5.1 3.3 0.0 ! 1.38e+00 assign (resid 40 and name HA) (resid 40 and name HD#) 3.5 1.7 0.0 ! 1.54e+00 assign (resid 40 and name HA) (resid 40 and name HG#) 3 1.2 0.0 ! 3.10e+00 assign (resid 41 and name HE1) (resid 11 and name HB#) 5.1 3.3 0.0 ! 8.25e-01 assign (resid 14 and name HD#) (resid 41 and name HA) 5.1 3.3 0.0 ! 5.67e-01 assign (resid 14 and name HE#) (resid 41 and name HB#) 5.1 3.3 0.0 ! 3.49e-01 assign (resid 41 and name HB#) (resid 19 and name HD11) 3.5 1.7 0.0 ! 2.45e+00 assign (resid 41 and name HB#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 7.46e-01 assign (resid 38 and name HA) (resid 41 and name HB#) 5.1 3.3 0.0 ! 4.13e-01 assign (resid 41 and name HA) (resid 41 and name HB#) 3 1.2 0.0 ! 2.42e+00 assign (resid 41 and name HD2) (resid 41 and name HB#) 3.5 1.7 0.0 ! 1.53e+00 assign (resid 16 and name HB#) (resid 42 and name HD21) 5.1 3.3 0.0 ! 1.79e+00 assign (resid 45 and name HA) (resid 45 and name HG#) 3.5 1.7 0.0 ! 1.26e+00 assign (resid 16 and name HD#) (resid 46 and name HB#) 5.1 3.3 0.0 ! 2.51e-01 assign (resid 46 and name HB#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 6.73e-01 assign (resid 46 and name HA) (resid 46 and name HB#) 3 1.2 0.0 ! 1.99e+00 assign (resid 47 and name HE#) (resid 39 and name HA) 5.1 3.3 0.0 ! 7.01e-01 assign (resid 47 and name HB#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 1.12e+00 assign (resid 44 and name HA) (resid 47 and name HB#) 3 1.2 0.0 ! 2.26e+00 assign (resid 47 and name HB#) (resid 47 and name HB#) 3 1.2 0.0 ! 5.06e+00 assign (resid 47 and name HE#) (resid 47 and name HB#) 5.1 3.3 0.0 ! 3.42e-01 assign (resid 47 and name HE#) (resid 48 and name HA) 5.1 3.3 0.0 ! 3.09e-01 assign (resid 46 and name HA) (resid 49 and name HB#) 3 1.2 0.0 ! 3.50e+00 assign (resid 46 and name HA) (resid 49 and name HG#) 5.1 3.3 0.0 ! 5.08e-01 assign (resid 49 and name HA) (resid 49 and name HG#) 3 1.2 0.0 ! 2.85e+00 assign (resid 49 and name HD#) (resid 49 and name HG#) 3.5 1.7 0.0 ! 1.27e+00 assign (resid 46 and name HB#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 2.32e-01 assign (resid 46 and name HB#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 5.01e-01 assign (resid 51 and name HE#) (resid 39 and name HA) 3.5 1.7 0.0 ! 1.23e+00 assign (resid 51 and name HD#) (resid 47 and name HZ) 5.1 3.3 0.0 ! 4.08e-01 assign (resid 51 and name HE#) (resid 47 and name HA) 5.1 3.3 0.0 ! 6.03e-01 assign (resid 51 and name HD#) (resid 50 and name HB) 5.1 3.3 0.0 ! 1.01e+00 assign (resid 51 and name HE#) (resid 50 and name HB) 5.1 3.3 0.0 ! 4.49e-01 assign (resid 51 and name HE#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 5.66e-01 assign (resid 51 and name HA) (resid 51 and name HB#) 3.5 1.7 0.0 ! 1.81e+00 assign (resid 47 and name HD#) (resid 53 and name HB#) 5.1 3.3 0.0 ! 4.09e-01 assign (resid 51 and name HD#) (resid 53 and name HE1) 5.1 3.3 0.0 ! 5.13e-01 assign (resid 53 and name HA) (resid 53 and name HB#) 3 1.2 0.0 ! 5.29e+00 assign (resid 53 and name HA) (resid 53 and name HG#) 3.5 1.7 0.0 ! 1.53e+00 assign (resid 47 and name HD#) (resid 54 and name HA) 5.1 3.3 0.0 ! 1.05e+00 assign (resid 47 and name HE#) (resid 54 and name HA) 5.1 3.3 0.0 ! 3.74e-01 assign (resid 47 and name HD#) (resid 55 and name HG#) 5.1 3.3 0.0 ! 7.20e-01 assign (resid 54 and name HA) (resid 55 and name HD#) 3 1.2 0.0 ! 4.47e+00 assign (resid 54 and name HA) (resid 55 and name HG#) 3.5 1.7 0.0 ! 1.66e+00 assign (resid 56 and name HA) (resid 56 and name HG#) 3.5 1.7 0.0 ! 1.66e+00 assign (resid 57 and name HA) (resid 56 and name HG#) 3.5 1.7 0.0 ! 1.78e+00 assign (resid 57 and name HA) (resid 57 and name HG#) 3.5 1.7 0.0 ! 1.26e+00 assign (resid 47 and name HE#) (resid 58 and name HA) 5.1 3.3 0.0 ! 4.51e-01 assign (resid 58 and name HE#) (resid 47 and name HE#) 5.1 3.3 0.0 ! 4.33e-01 assign (resid 58 and name HE#) (resid 47 and name HZ) 5.1 3.3 0.0 ! 4.22e-01 assign (resid 58 and name HD#) (resid 51 and name HD#) 5.1 3.3 0.0 ! 7.74e-01 assign (resid 58 and name HD#) (resid 51 and name HE#) 5.1 3.3 0.0 ! 5.73e-01 assign (resid 58 and name HZ) (resid 51 and name HD#) 5.1 3.3 0.0 ! 2.58e-01 assign (resid 58 and name HZ) (resid 51 and name HE#) 5.1 3.3 0.0 ! 5.63e-01 assign (resid 58 and name HE#) (resid 53 and name HE1) 5.1 3.3 0.0 ! 9.25e-01 assign (resid 58 and name HB#) (resid 58 and name HB#) 3 1.2 0.0 ! 3.41e+00 assign (resid 58 and name HE#) (resid 58 and name HA) 5.1 3.3 0.0 ! 4.25e-01 assign (resid 57 and name HA) (resid 60 and name HB#) 3.5 1.7 0.0 ! 1.55e+00 assign (resid 60 and name HA) (resid 60 and name HB#) 3 1.2 0.0 ! 3.20e+00 assign (resid 58 and name HE#) (resid 61 and name HD11) 5.1 3.3 0.0 ! 7.97e-01 assign (resid 61 and name HA) (resid 65 and name HG#) 3.5 1.7 0.0 ! 2.60e+00 assign (resid 62 and name HB1) (resid 65 and name HG#) 3 1.2 0.0 ! 4.11e+00 assign (resid 64 and name HH2) (resid 65 and name HB#) 5.1 3.3 0.0 ! 3.16e-01 assign (resid 64 and name HE3) (resid 65 and name HD#) 5.1 3.3 0.0 ! 4.28e-01 assign (resid 65 and name HA) (resid 65 and name HG#) 5.1 3.3 0.0 ! 7.52e-01 assign (resid 65 and name HE#) (resid 65 and name HG#) 5.1 3.3 0.0 ! 9.10e-01 assign (resid 58 and name HD#) (resid 66 and name HA) 5.1 3.3 0.0 ! 6.05e-01 assign (resid 58 and name HD#) (resid 66 and name HB1) 5.1 3.3 0.0 ! 4.52e-01 assign (resid 58 and name HE#) (resid 66 and name HB1) 3.5 1.7 0.0 ! 1.11e+00 assign (resid 58 and name HD#) (resid 66 and name HD#) 5.1 3.3 0.0 ! 7.16e-01 assign (resid 58 and name HE#) (resid 66 and name HD#) 3.5 1.7 0.0 ! 1.15e+00 assign (resid 58 and name HZ) (resid 66 and name HD#) 5.1 3.3 0.0 ! 3.83e-01 assign (resid 58 and name HZ) (resid 66 and name HD#) 5.1 3.3 0.0 ! 2.76e-01 assign (resid 58 and name HD#) (resid 66 and name HG#) 5.1 3.3 0.0 ! 5.08e-01 assign (resid 58 and name HZ) (resid 66 and name HG#) 5.1 3.3 0.0 ! 3.70e-01 assign (resid 61 and name HB2) (resid 66 and name HG#) 3.5 1.7 0.0 ! 1.13e+00 assign (resid 61 and name HD11) (resid 66 and name HG#) 5.1 3.3 0.0 ! 3.72e-01 assign (resid 63 and name HA) (resid 66 and name HD#) 5.1 3.3 0.0 ! 5.94e-01 assign (resid 66 and name HB2) (resid 66 and name HG#) 5.1 3.3 0.0 ! 1.02e+00 assign (resid 65 and name HA) (resid 68 and name HG#) 5.1 3.3 0.0 ! 3.99e-01 assign (resid 68 and name HA) (resid 68 and name HG#) 3 1.2 0.0 ! 2.12e+00 assign (resid 51 and name HD#) (resid 69 and name HA) 5.1 3.3 0.0 ! 6.08e-01 assign (resid 51 and name HE#) (resid 69 and name HD21) 5.1 3.3 0.0 ! 6.06e-01 assign (resid 51 and name HD#) (resid 69 and name HG) 5.1 3.3 0.0 ! 4.32e-01 assign (resid 58 and name HE#) (resid 69 and name HD21) 5.1 3.3 0.0 ! 7.09e-01 assign (resid 58 and name HE#) (resid 69 and name HG) 5.1 3.3 0.0 ! 6.84e-01 assign (resid 51 and name HD#) (resid 70 and name HA) 5.1 3.3 0.0 ! 5.39e-01 assign (resid 71 and name HA) (resid 71 and name HG#) 3.5 1.7 0.0 ! 1.76e+00 assign (resid 71 and name HD#) (resid 71 and name HG#) 3 1.2 0.0 ! 2.27e+00 assign (resid 71 and name HE#) (resid 71 and name HG#) 5.1 3.3 0.0 ! 6.89e-01 assign (resid 51 and name HD#) (resid 73 and name HB1) 5.1 3.3 0.0 ! 1.02e+00 assign (resid 16 and name HE#) (resid 75 and name HA) 5.1 3.3 0.0 ! 2.27e-01 assign (resid 16 and name HE#) (resid 75 and name HB1) 5.1 3.3 0.0 ! 3.64e-01 assign (resid 16 and name HE#) (resid 75 and name HB2) 5.1 3.3 0.0 ! 4.44e-01 assign (resid 51 and name HE#) (resid 75 and name HB2) 5.1 3.3 0.0 ! 7.86e-01 assign (resid 76 and name HE#) (resid 36 and name HA) 5.1 3.3 0.0 ! 3.17e-01 assign (resid 76 and name HD#) (resid 67 and name HA) 5.1 3.3 0.0 ! 8.20e-01 assign (resid 76 and name HA) (resid 70 and name HE#) 5.1 3.3 0.0 ! 9.41e-01 assign (resid 76 and name HB#) (resid 70 and name HB2) 5.1 3.3 0.0 ! 7.38e-01 assign (resid 76 and name HD#) (resid 70 and name HB1) 5.1 3.3 0.0 ! 6.33e-01 assign (resid 76 and name HD#) (resid 70 and name HD#) 5.1 3.3 0.0 ! 3.64e-01 assign (resid 76 and name HB#) (resid 71 and name HG#) 5.1 3.3 0.0 ! 5.58e-01 assign (resid 76 and name HD#) (resid 71 and name HE#) 5.1 3.3 0.0 ! 4.96e-01 assign (resid 76 and name HD#) (resid 71 and name HG#) 5.1 3.3 0.0 ! 6.88e-01 assign (resid 75 and name HA) (resid 76 and name HB#) 5.1 3.3 0.0 ! 1.70e+00 assign (resid 11 and name HN) (resid 10 and name HA#) 3 1.2 0.0 ! 1.20e+01 assign (resid 11 and name HN) (resid 11 and name HB#) 3 1.2 0.0 ! 8.21e+00 assign (resid 12 and name HN) (resid 11 and name HB#) 3.5 1.7 0.0 ! 2.45e+00 assign (resid 12 and name HE2#) (resid 12 and name HA) 5.1 3.3 0.0 ! 5.00e-01 assign (resid 12 and name HE2#) (resid 12 and name HG#) 3.5 1.7 0.0 ! 1.41e+00 assign (resid 12 and name HN) (resid 12 and name HB#) 3 1.2 0.0 ! 3.04e+00 assign (resid 12 and name HN) (resid 12 and name HG#) 3.5 1.7 0.0 ! 2.80e+00 assign (resid 13 and name HN) (resid 12 and name HB#) 5.1 3.3 0.0 ! 1.15e+00 assign (resid 13 and name HN) (resid 12 and name HG#) 5.1 3.3 0.0 ! 4.47e-01 assign (resid 14 and name HN) (resid 14 and name HB#) 5.1 3.3 0.0 ! 5.86e-01 assign (resid 14 and name HN) (resid 14 and name HD#) 3.5 1.7 0.0 ! 1.51e+00 assign (resid 16 and name HN) (resid 15 and name HG#) 5.1 3.3 0.0 ! 7.91e-01 assign (resid 16 and name HN) (resid 16 and name HB#) 3 1.2 0.0 ! 5.56e+00 assign (resid 16 and name HN) (resid 16 and name HD#) 5.1 3.3 0.0 ! 2.56e+00 assign (resid 17 and name HN) (resid 16 and name HB#) 3.5 1.7 0.0 ! 1.38e+00 assign (resid 17 and name HN) (resid 16 and name HD#) 3 1.2 0.0 ! 2.92e+00 assign (resid 17 and name HN) (resid 16 and name HE#) 5.1 3.3 0.0 ! 4.95e-01 assign (resid 17 and name HN) (resid 17 and name HG#) 3.5 1.7 0.0 ! 2.31e+00 assign (resid 18 and name HN) (resid 18 and name HB#) 3.5 1.7 0.0 ! 2.18e+00 assign (resid 18 and name HN) (resid 18 and name HG#) 3.5 1.7 0.0 ! 1.88e+00 assign (resid 19 and name HN) (resid 18 and name HB#) 3.5 1.7 0.0 ! 1.37e+00 assign (resid 23 and name HD2#) (resid 23 and name HA) 5.1 3.3 0.0 ! 4.54e-01 assign (resid 23 and name HD2#) (resid 23 and name HB#) 3 1.2 0.0 ! 3.10e+00 assign (resid 23 and name HN) (resid 23 and name HB#) 3.5 1.7 0.0 ! 2.29e+00 assign (resid 24 and name HN) (resid 24 and name HB#) 3.5 1.7 0.0 ! 2.04e+00 assign (resid 24 and name HN) (resid 24 and name HD#) 3 1.2 0.0 ! 3.39e+00 assign (resid 24 and name HN) (resid 24 and name HG#) 3.5 1.7 0.0 ! 2.53e+00 assign (resid 25 and name HN) (resid 24 and name HB#) 5.1 3.3 0.0 ! 8.65e-01 assign (resid 25 and name HN) (resid 25 and name HA#) 3 1.2 0.0 ! 4.78e+00 assign (resid 26 and name HN) (resid 25 and name HA#) 3 1.2 0.0 ! 3.25e+00 assign (resid 26 and name HE) (resid 26 and name HB#) 5.1 3.3 0.0 ! -6.53e-01 assign (resid 26 and name HE) (resid 26 and name HD#) 5.1 3.3 0.0 ! -1.18e+00 assign (resid 26 and name HE) (resid 26 and name HG#) 5.1 3.3 0.0 ! -4.87e-01 assign (resid 26 and name HN) (resid 26 and name HB#) 3 1.2 0.0 ! 3.19e+00 assign (resid 26 and name HN) (resid 26 and name HD#) 3 1.2 0.0 ! 4.66e+00 assign (resid 26 and name HN) (resid 26 and name HG#) 3 1.2 0.0 ! 4.89e+00 assign (resid 27 and name HN) (resid 26 and name HB#) 5.1 3.3 0.0 ! 8.25e-01 assign (resid 27 and name HN) (resid 26 and name HG#) 5.1 3.3 0.0 ! 8.94e-01 assign (resid 28 and name HN) (resid 28 and name HB#) 3 1.2 0.0 ! 3.77e+00 assign (resid 28 and name HN) (resid 28 and name HG#) 3 1.2 0.0 ! 3.13e+00 assign (resid 29 and name HN) (resid 28 and name HB#) 5.1 3.3 0.0 ! 1.28e+00 assign (resid 29 and name HN) (resid 28 and name HG#) 5.1 3.3 0.0 ! 1.20e+00 assign (resid 29 and name HN) (resid 30 and name HD#) 5.1 3.3 0.0 ! 4.95e-01 assign (resid 32 and name HN) (resid 31 and name HB#) 5.1 3.3 0.0 ! 9.52e-01 assign (resid 33 and name HN) (resid 32 and name HA#) 3 1.2 0.0 ! 3.63e+00 assign (resid 34 and name HN) (resid 34 and name HB#) 3.5 1.7 0.0 ! 2.65e+00 assign (resid 35 and name HN) (resid 34 and name HB#) 5.1 3.3 0.0 ! 1.18e+00 assign (resid 35 and name HN) (resid 35 and name HB#) 3 1.2 0.0 ! 6.99e+00 assign (resid 36 and name HN) (resid 34 and name HB#) 5.1 3.3 0.0 ! 4.20e-01 assign (resid 36 and name HN) (resid 35 and name HB#) 5.1 3.3 0.0 ! 1.30e+00 assign (resid 37 and name HN) (resid 36 and name HB#) 3.5 1.7 0.0 ! 1.40e+00 assign (resid 37 and name HE) (resid 37 and name HD#) 3.5 1.7 0.0 ! -2.15e+00 assign (resid 37 and name HE) (resid 37 and name HG#) 5.1 3.3 0.0 ! -7.99e-01 assign (resid 38 and name HN) (resid 37 and name HD#) 5.1 3.3 0.0 ! 3.17e-01 assign (resid 39 and name HN) (resid 34 and name HB#) 5.1 3.3 0.0 ! 4.44e-01 assign (resid 39 and name HN) (resid 39 and name HB#) 3 1.2 0.0 ! 4.54e+00 assign (resid 39 and name HN) (resid 39 and name HG#) 3.5 1.7 0.0 ! 1.48e+00 assign (resid 40 and name HN) (resid 39 and name HG#) 5.1 3.3 0.0 ! 5.81e-01 assign (resid 40 and name HE) (resid 40 and name HB#) 5.1 3.3 0.0 ! -5.97e-01 assign (resid 40 and name HE) (resid 40 and name HD#) 3 1.2 0.0 ! -2.90e+00 assign (resid 40 and name HE) (resid 40 and name HG#) 5.1 3.3 0.0 ! -8.92e-01 assign (resid 40 and name HN) (resid 40 and name HB#) 3.5 1.7 0.0 ! 2.02e+00 assign (resid 40 and name HN) (resid 40 and name HD#) 5.1 3.3 0.0 ! 1.26e+00 assign (resid 40 and name HN) (resid 40 and name HG#) 3.5 1.7 0.0 ! 1.37e+00 assign (resid 14 and name HN) (resid 41 and name HB#) 5.1 3.3 0.0 ! 8.75e-01 assign (resid 40 and name HN) (resid 41 and name HB#) 5.1 3.3 0.0 ! 3.32e-01 assign (resid 41 and name HN) (resid 40 and name HB#) 5.1 3.3 0.0 ! 1.07e+00 assign (resid 41 and name HN) (resid 41 and name HB#) 3.5 1.7 0.0 ! 2.60e+00 assign (resid 42 and name HN) (resid 41 and name HB#) 5.1 3.3 0.0 ! 5.69e-01 assign (resid 45 and name HN) (resid 45 and name HG#) 3.5 1.7 0.0 ! 1.54e+00 assign (resid 16 and name HN) (resid 46 and name HB#) 5.1 3.3 0.0 ! 8.00e-01 assign (resid 43 and name HN) (resid 46 and name HB#) 5.1 3.3 0.0 ! 1.17e+00 assign (resid 46 and name HN) (resid 45 and name HB#) 3 1.2 0.0 ! 2.91e+00 assign (resid 46 and name HN) (resid 45 and name HG#) 5.1 3.3 0.0 ! 8.06e-01 assign (resid 46 and name HN) (resid 47 and name HB#) 5.1 3.3 0.0 ! 4.14e-01 assign (resid 47 and name HN) (resid 46 and name HB#) 3.5 1.7 0.0 ! 1.55e+00 assign (resid 47 and name HN) (resid 48 and name HB#) 5.1 3.3 0.0 ! 6.11e-01 assign (resid 48 and name HN) (resid 47 and name HB#) 3 1.2 0.0 ! 5.31e+00 assign (resid 48 and name HN) (resid 47 and name HD#) 3.5 1.7 0.0 ! 1.73e+00 assign (resid 48 and name HN) (resid 48 and name HB#) 3 1.2 0.0 ! 4.38e+00 assign (resid 49 and name HN) (resid 47 and name HB#) 5.1 3.3 0.0 ! 6.03e-01 assign (resid 49 and name HE) (resid 49 and name HD#) 3.5 1.7 0.0 ! -1.53e+00 assign (resid 49 and name HE) (resid 49 and name HG#) 5.1 3.3 0.0 ! -7.65e-01 assign (resid 49 and name HN) (resid 49 and name HD#) 5.1 3.3 0.0 ! 9.27e-01 assign (resid 49 and name HN) (resid 49 and name HG#) 3.5 1.7 0.0 ! 2.19e+00 assign (resid 50 and name HN) (resid 49 and name HB#) 3 1.2 0.0 ! 3.91e+00 assign (resid 50 and name HN) (resid 49 and name HG#) 5.1 3.3 0.0 ! 5.51e-01 assign (resid 47 and name HN) (resid 51 and name HD#) 5.1 3.3 0.0 ! 3.30e-01 assign (resid 51 and name HN) (resid 49 and name HB#) 5.1 3.3 0.0 ! 4.21e-01 assign (resid 50 and name HN) (resid 51 and name HD#) 5.1 3.3 0.0 ! 5.30e-01 assign (resid 51 and name HN) (resid 51 and name HB#) 3.5 1.7 0.0 ! 1.64e+00 assign (resid 51 and name HN) (resid 51 and name HD#) 3.5 1.7 0.0 ! 2.01e+00 assign (resid 52 and name HN) (resid 51 and name HB#) 5.1 3.3 0.0 ! 1.02e+00 assign (resid 52 and name HN) (resid 51 and name HD#) 5.1 3.3 0.0 ! 6.11e-01 assign (resid 53 and name HN) (resid 47 and name HD#) 3.5 1.7 0.0 ! 1.50e+00 assign (resid 53 and name HN) (resid 47 and name HE#) 5.1 3.3 0.0 ! 6.59e-01 assign (resid 53 and name HN) (resid 51 and name HD#) 5.1 3.3 0.0 ! 6.44e-01 assign (resid 53 and name HN) (resid 53 and name HG#) 5.1 3.3 0.0 ! 8.96e-01 assign (resid 54 and name HN) (resid 53 and name HB#) 3 1.2 0.0 ! 5.14e+00 assign (resid 54 and name HN) (resid 55 and name HD#) 5.1 3.3 0.0 ! 4.61e-01 assign (resid 56 and name HN) (resid 55 and name HB#) 3 1.2 0.0 ! 4.77e+00 assign (resid 56 and name HN) (resid 55 and name HD#) 3.5 1.7 0.0 ! 1.98e+00 assign (resid 56 and name HN) (resid 56 and name HG#) 3.5 1.7 0.0 ! 1.41e+00 assign (resid 57 and name HN) (resid 55 and name HD#) 5.1 3.3 0.0 ! 3.94e-01 assign (resid 57 and name HN) (resid 57 and name HG#) 3.5 1.7 0.0 ! 1.43e+00 assign (resid 58 and name HN) (resid 55 and name HB#) 5.1 3.3 0.0 ! 3.89e-01 assign (resid 57 and name HN) (resid 58 and name HB#) 5.1 3.3 0.0 ! 6.58e-01 assign (resid 58 and name HN) (resid 58 and name HB#) 3 1.2 0.0 ! 4.88e+00 assign (resid 58 and name HN) (resid 58 and name HD#) 3.5 1.7 0.0 ! 2.23e+00 assign (resid 59 and name HN) (resid 58 and name HB#) 3.5 1.7 0.0 ! -1.73e+00 assign (resid 60 and name HN) (resid 60 and name HB#) 3 1.2 0.0 ! 4.59e+00 assign (resid 60 and name HN) (resid 60 and name HE#) 3.5 1.7 0.0 ! 1.56e+00 assign (resid 60 and name HN) (resid 60 and name HG#) 5.1 3.3 0.0 ! 7.76e-01 assign (resid 61 and name HN) (resid 60 and name HB#) 5.1 3.3 0.0 ! 7.17e-01 assign (resid 61 and name HN) (resid 60 and name HG#) 5.1 3.3 0.0 ! 7.10e-01 assign (resid 63 and name HN) (resid 64 and name HB#) 5.1 3.3 0.0 ! 2.81e-01 assign (resid 64 and name HN) (resid 63 and name HB#) 3 1.2 0.0 ! 4.35e+00 assign (resid 64 and name HE1) (resid 64 and name HB#) 5.1 3.3 0.0 ! 6.51e-01 assign (resid 62 and name HN) (resid 65 and name HB#) 3.5 1.7 0.0 ! 1.32e+00 assign (resid 62 and name HN) (resid 65 and name HG#) 3.5 1.7 0.0 ! 1.58e+00 assign (resid 64 and name HE1) (resid 65 and name HB#) 5.1 3.3 0.0 ! 4.26e-01 assign (resid 65 and name HN) (resid 65 and name HG#) 5.1 3.3 0.0 ! 1.12e+00 assign (resid 61 and name HN) (resid 66 and name HD#) 5.1 3.3 0.0 ! 7.59e-01 assign (resid 61 and name HN) (resid 66 and name HG#) 5.1 3.3 0.0 ! 5.81e-01 assign (resid 62 and name HN) (resid 66 and name HG#) 5.1 3.3 0.0 ! 6.00e-01 assign (resid 65 and name HN) (resid 66 and name HG#) 5.1 3.3 0.0 ! 1.49e+00 assign (resid 66 and name HN) (resid 65 and name HB#) 3.5 1.7 0.0 ! 1.76e+00 assign (resid 66 and name HN) (resid 65 and name HG#) 5.1 3.3 0.0 ! 4.92e-01 assign (resid 66 and name HE) (resid 66 and name HD#) 5.1 3.3 0.0 ! -5.80e-01 assign (resid 66 and name HE) (resid 66 and name HG#) 3.5 1.7 0.0 ! -1.37e+00 assign (resid 66 and name HN) (resid 66 and name HD#) 5.1 3.3 0.0 ! 2.61e-01 assign (resid 66 and name HN) (resid 66 and name HG#) 3 1.2 0.0 ! 5.00e+00 assign (resid 67 and name HD2#) (resid 63 and name HD11) 5.1 3.3 0.0 ! 2.49e+00 assign (resid 67 and name HD2#) (resid 67 and name HA) 5.1 3.3 0.0 ! 4.78e-01 assign (resid 67 and name HD2#) (resid 67 and name HB1) 3.5 1.7 0.0 ! 1.45e+00 assign (resid 67 and name HN) (resid 67 and name HD2#) 5.1 3.3 0.0 ! 3.41e-01 assign (resid 67 and name HN) (resid 68 and name HB#) 5.1 3.3 0.0 ! 7.85e-01 assign (resid 68 and name HN) (resid 68 and name HG#) 3.5 1.7 0.0 ! 2.62e+00 assign (resid 69 and name HN) (resid 58 and name HE#) 5.1 3.3 0.0 ! 6.46e-01 assign (resid 69 and name HN) (resid 68 and name HG#) 5.1 3.3 0.0 ! 6.45e-01 assign (resid 39 and name HN) (resid 70 and name HE#) 5.1 3.3 0.0 ! 4.23e-01 assign (resid 70 and name HN) (resid 70 and name HE#) 5.1 3.3 0.0 ! 2.25e-01 assign (resid 71 and name HN) (resid 71 and name HD#) 5.1 3.3 0.0 ! 1.29e+00 assign (resid 71 and name HN) (resid 71 and name HE#) 5.1 3.3 0.0 ! 9.59e-01 assign (resid 71 and name HN) (resid 71 and name HG#) 5.1 3.3 0.0 ! 7.71e-01 assign (resid 72 and name HN) (resid 72 and name HB#) 3 1.2 0.0 ! 4.86e+00 assign (resid 72 and name HN) (resid 72 and name HD#) 3.5 1.7 0.0 ! 2.77e+00 assign (resid 72 and name HN) (resid 72 and name HE#) 3.5 1.7 0.0 ! 2.15e+00 assign (resid 72 and name HN) (resid 72 and name HG#) 3.5 1.7 0.0 ! 2.50e+00 assign (resid 73 and name HN) (resid 51 and name HE#) 5.1 3.3 0.0 ! 5.22e-01 assign (resid 73 and name HN) (resid 72 and name HB#) 3 1.2 0.0 ! 3.64e+00 assign (resid 67 and name HD2#) (resid 76 and name HZ) 5.1 3.3 0.0 ! 9.86e-01 assign (resid 71 and name HN) (resid 76 and name HB#) 3.5 1.7 0.0 ! 1.40e+00 assign (resid 76 and name HN) (resid 71 and name HG#) 5.1 3.3 0.0 ! 5.47e-01 assign (resid 76 and name HN) (resid 76 and name HD#) 5.1 3.3 0.0 ! 7.35e-01 assign (resid 37 and name HN) (resid 34 and name HB#) 5.1 3.3 0.0 ! 6.04e-01 assign (resid 56 and name HN) (resid 55 and name HG#) 5.1 3.3 0.0 ! 5.21e-01 assign (resid 54 and name HN) (resid 57 and name HG#) 5.1 3.3 0.0 ! 5.07e-01 assign (resid 65 and name HN) (resid 64 and name HB#) 5.1 3.3 0.0 ! 4.53e-01 assign (resid 67 and name HD2#) (resid 63 and name HB#) 3.5 1.7 0.0 ! 1.47e+00 assign (resid 67 and name HD2#) (resid 64 and name HA) 3.5 1.7 0.0 ! 1.47e+00 assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 64 and name HB#) 3.5 1.7 0.0 ! 3.33e+00 assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 62 and name HB1) 3.0 1.2 0.0 ! 1.29e+01 assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 64 and name HA) 5.1 3.3 0.0 ! 1.23e+00 assign (resid 64 and name HE1) ((resid 64 and name HD1) or (resid 64 and name HZ2)) 3.0 1.2 0.0 ! 2.39e+01 assign (resid 64 and name HN) ((resid 64 and name HD1) or (resid 64 and name HZ2)) 3.0 1.2 0.0 ! 5.38e+00 assign ((resid 64 and name HZ2) or (resid 64 and name HD1)) (resid 64 and name HH2) 3.0 1.2 0.0 ! 1.33e+01 assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 65 and name HN) 5.1 3.3 0.0 ! 1.40e+00 assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 63 and name HA) 5.1 3.3 0.0 ! 1.40e+00 assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 62 and name HA) 5.1 3.3 0.0 ! 1.40e+00 assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 65 and name HB1) 5.1 3.3 0.0 ! 1.40e+00 assign (resid 64 and name HZ3) (resid 68 and name HG#) 5.1 3.3 0.0 ! 1.40e+00 assign (resid 64 and name HZ3) (resid 65 and name HB#) 5.1 3.3 0.0 ! 1.40e+00 assign (resid 11 and name HA) (resid 11 and name HD21) 4.8 3.0 0.0 ! 1.02e+01 assign (resid 11 and name HN) (resid 11 and name HD21) 4.8 3.0 0.0 ! 2.55e+00 assign (resid 12 and name HN) (resid 11 and name HA) 2.7 0.9 0.0 ! 8.49e+00 assign (resid 12 and name HN) (resid 11 and name HD21) 4.8 3.0 0.0 ! 1.31e+00 assign (resid 13 and name HN) (resid 12 and name HA) 2.7 0.9 0.0 ! 9.73e+00 assign (resid 13 and name HG11) (resid 13 and name HD11) 4.8 3.0 0.0 ! 2.90e+00 assign (resid 13 and name HB) (resid 13 and name HG12) 4.8 3.0 0.0 ! 1.65e+00 assign (resid 13 and name HG12) (resid 13 and name HD11) 4.8 3.0 0.0 ! 2.96e+00 assign (resid 13 and name HB) (resid 13 and name HG21) 3.2 1.4 0.0 ! 5.47e+00 assign (resid 13 and name HG11) (resid 13 and name HG21) 4.8 3.0 0.0 ! 2.62e+00 assign (resid 13 and name HG12) (resid 13 and name HG21) 4.8 3.0 0.0 ! 2.26e+00 assign (resid 13 and name HN) (resid 13 and name HB) 4.8 3.0 0.0 ! 4.14e+00 assign (resid 13 and name HN) (resid 13 and name HG21) 4.8 3.0 0.0 ! 1.92e+00 assign (resid 16 and name HN) (resid 13 and name HG21) 4.8 3.0 0.0 ! 9.05e-01 assign (resid 17 and name HN) (resid 15 and name HA) 4.8 3.0 0.0 ! 6.67e-01 assign (resid 17 and name HN) (resid 16 and name HN) 4.8 3.0 0.0 ! 1.72e+00 assign (resid 17 and name HN) (resid 17 and name HA) 2.7 0.9 0.0 ! 4.34e+00 assign (resid 14 and name HN) (resid 19 and name HD11) 4.8 3.0 0.0 ! 7.41e-01 assign (resid 19 and name HN) (resid 18 and name HA) 4.8 3.0 0.0 ! 2.09e+00 assign (resid 19 and name HB2) (resid 19 and name HD11) 3.2 1.4 0.0 ! 6.29e+00 assign (resid 19 and name HA) (resid 19 and name HD21) 3.2 1.4 0.0 ! 5.41e+00 assign (resid 19 and name HB1) (resid 19 and name HD21) 4.8 3.0 0.0 ! 3.15e+00 assign (resid 19 and name HD11) (resid 19 and name HD21) 4.8 3.0 0.0 ! 6.87e+00 assign (resid 19 and name HG) (resid 19 and name HD21) 4.8 3.0 0.0 ! 3.50e+00 assign (resid 19 and name HN) (resid 19 and name HB1) 4.8 3.0 0.0 ! 6.59e-01 assign (resid 19 and name HN) (resid 19 and name HB2) 4.8 3.0 0.0 ! 1.91e+00 assign (resid 19 and name HN) (resid 19 and name HD11) 4.8 3.0 0.0 ! 1.17e+00 assign (resid 16 and name HH) (resid 20 and name HG11) 4.8 3.0 0.0 ! added manually assign (resid 16 and name HH) (resid 20 and name HG21) 4.8 3.0 0.0 ! added manually assign (resid 16 and name HH) (resid 50 and name HG11) 4.8 3.0 0.0 ! added manually assign (resid 17 and name HA) (resid 20 and name HG11) 4.8 3.0 0.0 ! 9.31e-01 assign (resid 17 and name HA) (resid 20 and name HG21) 4.8 3.0 0.0 ! 4.53e+00 assign (resid 19 and name HN) (resid 20 and name HN) 3.2 1.4 0.0 ! 2.88e+00 assign (resid 20 and name HA) (resid 20 and name HB) 3.2 1.4 0.0 ! 2.94e+00 assign (resid 20 and name HA) (resid 20 and name HG11) 3.2 1.4 0.0 ! 4.69e+00 assign (resid 20 and name HB) (resid 20 and name HG11) 3.2 1.4 0.0 ! 5.05e+00 assign (resid 20 and name HA) (resid 20 and name HG21) 3.2 1.4 0.0 ! 4.78e+00 assign (resid 20 and name HB) (resid 20 and name HG21) 3.2 1.4 0.0 ! 5.20e+00 assign (resid 20 and name HN) (resid 20 and name HG11) 4.8 3.0 0.0 ! 2.16e+00 assign (resid 21 and name HN) (resid 20 and name HA) 2.7 0.9 0.0 ! 5.69e+00 assign (resid 21 and name HN) (resid 20 and name HB) 4.8 3.0 0.0 ! 1.23e+00 assign (resid 21 and name HB) (resid 21 and name HG21) 2.7 0.9 0.0 ! 1.37e+01 assign (resid 21 and name HN) (resid 21 and name HB) 3.2 1.4 0.0 ! 2.46e+00 assign (resid 22 and name HN) (resid 20 and name HG11) 4.8 3.0 0.0 ! 1.29e+00 assign (resid 22 and name HN) (resid 21 and name HG21) 4.8 3.0 0.0 ! 2.60e+00 assign (resid 22 and name HA) (resid 22 and name HG1) 3.2 1.4 0.0 ! 9.80e+00 assign (resid 23 and name HN) (resid 22 and name HB) 4.8 3.0 0.0 ! 1.94e+00 assign (resid 23 and name HN) (resid 22 and name HG1) 4.8 3.0 0.0 ! 2.12e+00 assign (resid 23 and name HN) (resid 22 and name HN) 4.8 3.0 0.0 ! 2.07e+00 assign (resid 25 and name HN) (resid 24 and name HA) 3.2 1.4 0.0 ! 2.79e+00 assign (resid 27 and name HN) (resid 26 and name HA) 3.2 1.4 0.0 ! 2.77e+00 assign (resid 27 and name HA) (resid 27 and name HB) 2.7 0.9 0.0 ! 4.86e+00 assign (resid 27 and name HA) (resid 27 and name HG1) 2.7 0.9 0.0 ! 1.57e+01 assign (resid 27 and name HN) (resid 27 and name HB) 3.2 1.4 0.0 ! 2.33e+00 assign (resid 28 and name HN) (resid 27 and name HA) 2.7 0.9 0.0 ! 6.79e+00 assign (resid 28 and name HN) (resid 27 and name HG1) 3.2 1.4 0.0 ! 2.62e+00 assign (resid 28 and name HN) (resid 28 and name HA) 4.8 3.0 0.0 ! 1.36e+00 assign (resid 29 and name HN) (resid 28 and name HA) 2.7 0.9 0.0 ! 1.23e+01 assign (resid 28 and name HN) (resid 29 and name HN) 4.8 3.0 0.0 ! 1.16e+00 assign (resid 29 and name HB2) (resid 29 and name HB1) 2.7 0.9 0.0 ! 6.29e+00 assign (resid 29 and name HG) (resid 29 and name HB1) 3.2 1.4 0.0 ! 2.83e+00 assign (resid 29 and name HN) (resid 29 and name HG) 3.2 1.4 0.0 ! 3.25e+00 assign (resid 19 and name HD21) (resid 33 and name HG11) 4.8 3.0 0.0 ! 3.51e+00 assign (resid 29 and name HD11) (resid 33 and name HG11) 4.8 3.0 0.0 ! 3.57e+00 assign (resid 29 and name HD11) (resid 33 and name HG21) 4.8 3.0 0.0 ! 1.90e+00 assign (resid 33 and name HA) (resid 33 and name HB) 2.7 0.9 0.0 ! 4.67e+00 assign (resid 33 and name HA) (resid 33 and name HG11) 3.2 1.4 0.0 ! 4.74e+00 assign (resid 33 and name HB) (resid 33 and name HG11) 4.8 3.0 0.0 ! 3.63e+00 assign (resid 33 and name HA) (resid 33 and name HG21) 4.8 3.0 0.0 ! 3.87e+00 assign (resid 33 and name HB) (resid 33 and name HG21) 4.8 3.0 0.0 ! 4.29e+00 assign (resid 33 and name HG21) (resid 33 and name HG11) 3.2 1.4 0.0 ! 1.08e+01 assign (resid 33 and name HN) (resid 33 and name HB) 2.7 0.9 0.0 ! 6.62e+00 assign (resid 34 and name HN) (resid 33 and name HG21) 4.8 3.0 0.0 ! 9.15e-01 assign (resid 35 and name HN) (resid 34 and name HA) 2.7 0.9 0.0 ! 8.47e+00 assign (resid 34 and name HN) (resid 35 and name HN) 4.8 3.0 0.0 ! 6.53e-01 assign (resid 38 and name HD21) (resid 33 and name HG11) 4.8 3.0 0.0 ! 6.09e+00 assign (resid 35 and name HA) (resid 38 and name HD21) 4.8 3.0 0.0 ! 3.86e+00 assign (resid 38 and name HA) (resid 38 and name HD11) 2.7 0.9 0.0 ! 8.76e+00 assign (resid 38 and name HA) (resid 38 and name HD21) 3.2 1.4 0.0 ! 5.45e+00 assign (resid 38 and name HD11) (resid 38 and name HD21) 3.2 1.4 0.0 ! 1.35e+01 assign (resid 39 and name HN) (resid 38 and name HB1) 3.2 1.4 0.0 ! 2.72e+00 assign (resid 39 and name HN) (resid 39 and name HA) 3.2 1.4 0.0 ! 2.88e+00 assign (resid 41 and name HE1) (resid 11 and name HD11) 4.8 3.0 0.0 ! 1.86e+00 assign (resid 41 and name HE1) (resid 11 and name HD21) 4.8 3.0 0.0 ! 2.68e+00 assign (resid 12 and name HN) (resid 41 and name HE1) 4.8 3.0 0.0 ! 9.51e-01 assign (resid 41 and name HD2) (resid 33 and name HA) 4.8 3.0 0.0 ! 1.83e+00 assign (resid 41 and name HD2) (resid 33 and name HG11) 4.8 3.0 0.0 ! 2.04e+00 assign (resid 41 and name HD2) (resid 33 and name HG21) 4.8 3.0 0.0 ! 7.65e-01 assign (resid 41 and name HE1) (resid 33 and name HA) 2.7 0.9 0.0 ! 5.17e+00 assign (resid 41 and name HE1) (resid 33 and name HG11) 4.8 3.0 0.0 ! 8.54e-01 assign (resid 41 and name HE1) (resid 33 and name HG21) 4.8 3.0 0.0 ! 1.36e+00 assign (resid 34 and name HN) (resid 41 and name HD2) 4.8 3.0 0.0 ! 8.82e-01 assign (resid 41 and name HD2) (resid 38 and name HA) 3.2 1.4 0.0 ! 9.27e+00 assign (resid 41 and name HD2) (resid 38 and name HB1) 4.8 3.0 0.0 ! 1.09e+00 assign (resid 41 and name HD2) (resid 38 and name HB2) 4.8 3.0 0.0 ! 1.00e+00 assign (resid 41 and name HD2) (resid 38 and name HD11) 4.8 3.0 0.0 ! 1.34e+00 assign (resid 41 and name HD2) (resid 38 and name HD21) 4.8 3.0 0.0 ! 4.05e+00 assign (resid 40 and name HN) (resid 41 and name HD2) 4.8 3.0 0.0 ! 1.08e+00 assign (resid 41 and name HE1) (resid 41 and name HD2) 4.8 3.0 0.0 ! 7.71e-01 assign (resid 39 and name HA) (resid 42 and name HD11) 4.8 3.0 0.0 ! 3.93e+00 assign (resid 42 and name HB1) (resid 42 and name HD21) 4.8 3.0 0.0 ! 2.35e+00 assign (resid 42 and name HN) (resid 42 and name HD11) 4.8 3.0 0.0 ! 1.88e+00 assign (resid 42 and name HN) (resid 42 and name HG) 3.2 1.4 0.0 ! 3.10e+00 assign (resid 43 and name HA) (resid 13 and name HD11) 4.8 3.0 0.0 ! 2.25e+00 assign (resid 43 and name HA) (resid 13 and name HG21) 3.2 1.4 0.0 ! 4.83e+00 assign (resid 43 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 6.09e-01 assign (resid 43 and name HN) (resid 42 and name HA) 2.7 0.9 0.0 ! 4.55e+00 assign (resid 43 and name HN) (resid 42 and name HB1) 4.8 3.0 0.0 ! 8.74e-01 assign (resid 43 and name HN) (resid 42 and name HD11) 4.8 3.0 0.0 ! 5.60e-01 assign (resid 43 and name HA) (resid 43 and name HB2) 2.7 0.9 0.0 ! 4.09e+00 assign (resid 43 and name HB1) (resid 43 and name HB2) 3.2 1.4 0.0 ! 3.05e+00 assign (resid 44 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 9.64e-01 assign (resid 44 and name HN) (resid 13 and name HG21) 4.8 3.0 0.0 ! 1.56e+00 assign (resid 44 and name HN) (resid 43 and name HA) 2.7 0.9 0.0 ! 7.54e+00 assign (resid 44 and name HN) (resid 44 and name HA) 2.7 0.9 0.0 ! 6.67e+00 assign (resid 44 and name HN) (resid 44 and name HB1) 2.7 0.9 0.0 ! 1.17e+01 assign (resid 44 and name HN) (resid 45 and name HN) 3.2 1.4 0.0 ! 3.51e+00 assign (resid 46 and name HN) (resid 45 and name HA) 4.8 3.0 0.0 ! 1.87e+00 assign (resid 46 and name HN) (resid 45 and name HN) 3.2 1.4 0.0 ! 2.92e+00 assign (resid 47 and name HN) (resid 42 and name HB1) 4.8 3.0 0.0 ! 1.05e+00 assign (resid 47 and name HN) (resid 42 and name HB2) 4.8 3.0 0.0 ! 1.25e+00 assign (resid 47 and name HN) (resid 42 and name HD11) 4.8 3.0 0.0 ! 1.05e+00 assign (resid 47 and name HN) (resid 46 and name HN) 3.2 1.4 0.0 ! 2.55e+00 assign (resid 48 and name HN) (resid 44 and name HA) 4.8 3.0 0.0 ! 1.72e+00 assign (resid 48 and name HN) (resid 47 and name HA) 3.2 1.4 0.0 ! 3.01e+00 assign (resid 47 and name HN) (resid 49 and name HN) 4.8 3.0 0.0 ! 5.95e-01 assign (resid 42 and name HD11) (resid 50 and name HG11) 4.8 3.0 0.0 ! 1.16e+00 assign (resid 42 and name HD11) (resid 50 and name HG21) 4.8 3.0 0.0 ! 2.56e+00 assign (resid 42 and name HD21) (resid 50 and name HG21) 4.8 3.0 0.0 ! 2.00e+00 assign (resid 47 and name HA) (resid 50 and name HG21) 4.8 3.0 0.0 ! 1.23e+00 assign (resid 50 and name HA) (resid 50 and name HB) 4.8 3.0 0.0 ! 2.27e+00 assign (resid 50 and name HA) (resid 50 and name HG11) 3.2 1.4 0.0 ! 5.33e+00 assign (resid 50 and name HB) (resid 50 and name HG11) 4.8 3.0 0.0 ! 4.53e+00 assign (resid 50 and name HA) (resid 50 and name HG21) 3.2 1.4 0.0 ! 6.55e+00 assign (resid 50 and name HB) (resid 50 and name HG21) 3.2 1.4 0.0 ! 4.59e+00 assign (resid 50 and name HG21) (resid 50 and name HG11) 3.2 1.4 0.0 ! 1.22e+01 assign (resid 50 and name HN) (resid 50 and name HB) 3.2 1.4 0.0 ! 3.43e+00 assign (resid 50 and name HN) (resid 50 and name HG11) 4.8 3.0 0.0 ! 2.34e+00 assign (resid 50 and name HN) (resid 50 and name HG21) 3.2 1.4 0.0 ! 6.11e+00 assign (resid 51 and name HN) (resid 47 and name HA) 4.8 3.0 0.0 ! 8.59e-01 assign (resid 51 and name HN) (resid 50 and name HG21) 4.8 3.0 0.0 ! 1.39e+00 assign (resid 51 and name HN) (resid 50 and name HN) 2.7 0.9 0.0 ! 5.21e+00 assign (resid 51 and name HZ) (resid 50 and name HG11) 4.8 3.0 0.0 ! 9.97e-01 assign (resid 52 and name HA) (resid 52 and name HB1) 2.7 0.9 0.0 ! 1.05e+01 assign (resid 52 and name HN) (resid 52 and name HA) 2.7 0.9 0.0 ! 6.92e+00 assign (resid 53 and name HN) (resid 48 and name HA) 4.8 3.0 0.0 ! 2.23e+00 assign (resid 53 and name HN) (resid 52 and name HA) 4.8 3.0 0.0 ! 1.97e+00 assign (resid 54 and name HN) (resid 53 and name HA) 2.7 0.9 0.0 ! 4.21e+00 assign (resid 54 and name HN) (resid 54 and name HB2) 4.8 3.0 0.0 ! 1.62e+00 assign (resid 47 and name HZ) (resid 55 and name HA) 4.8 3.0 0.0 ! 2.10e+00 assign (resid 56 and name HN) (resid 55 and name HA) 3.2 1.4 0.0 ! 2.92e+00 assign (resid 56 and name HA) (resid 56 and name HB1) 3.2 1.4 0.0 ! 2.85e+00 assign (resid 56 and name HA) (resid 56 and name HB2) 2.7 0.9 0.0 ! 4.08e+00 assign (resid 56 and name HN) (resid 56 and name HB1) 2.7 0.9 0.0 ! 4.50e+00 assign (resid 56 and name HN) (resid 56 and name HB2) 3.2 1.4 0.0 ! 3.11e+00 assign (resid 54 and name HN) (resid 57 and name HB2) 4.8 3.0 0.0 ! 1.14e+00 assign (resid 54 and name HN) (resid 57 and name HN) 4.8 3.0 0.0 ! 6.40e-01 assign (resid 57 and name HN) (resid 56 and name HB1) 4.8 3.0 0.0 ! 1.84e+00 assign (resid 57 and name HN) (resid 57 and name HA) 2.7 0.9 0.0 ! 3.89e+00 assign (resid 57 and name HN) (resid 57 and name HB1) 3.2 1.4 0.0 ! 3.04e+00 assign (resid 58 and name HN) (resid 47 and name HZ) 4.8 3.0 0.0 ! 8.43e-01 assign (resid 58 and name HN) (resid 57 and name HN) 2.7 0.9 0.0 ! 6.33e+00 assign (resid 59 and name HN) (resid 58 and name HA) 4.8 3.0 0.0 ! 1.86e+00 assign (resid 60 and name HN) (resid 57 and name HA) 4.8 3.0 0.0 ! 4.57e+00 assign (resid 59 and name HN) (resid 60 and name HN) 3.2 1.4 0.0 ! 2.45e+00 assign (resid 60 and name HN) (resid 60 and name HA) 2.7 0.9 0.0 ! 4.45e+00 assign (resid 53 and name HE1) (resid 61 and name HD11) 4.8 3.0 0.0 ! 8.05e+00 assign (resid 58 and name HA) (resid 61 and name HD11) 4.8 3.0 0.0 ! 4.22e+00 assign (resid 61 and name HN) (resid 60 and name HA) 3.2 1.4 0.0 ! 2.99e+00 assign (resid 61 and name HA) (resid 61 and name HB1) 2.7 0.9 0.0 ! 1.01e+01 assign (resid 61 and name HD21) (resid 61 and name HD11) 2.7 0.9 0.0 ! 1.80e+01 assign (resid 61 and name HG) (resid 61 and name HD11) 4.8 3.0 0.0 ! 4.05e+00 assign (resid 61 and name HG) (resid 61 and name HD21) 3.2 1.4 0.0 ! 4.70e+00 assign (resid 61 and name HN) (resid 61 and name HB1) 4.8 3.0 0.0 ! 1.68e+00 assign (resid 61 and name HN) (resid 61 and name HB2) 3.2 1.4 0.0 ! 3.61e+00 assign (resid 61 and name HN) (resid 61 and name HD11) 4.8 3.0 0.0 ! 2.16e+00 assign (resid 61 and name HN) (resid 61 and name HD21) 4.8 3.0 0.0 ! 2.38e+00 assign (resid 61 and name HN) (resid 61 and name HG) 2.7 0.9 0.0 ! 4.03e+00 assign (resid 62 and name HN) (resid 61 and name HA) 2.7 0.9 0.0 ! 1.28e+01 assign (resid 63 and name HN) (resid 62 and name HN) 4.8 3.0 0.0 ! 6.34e-01 assign (resid 63 and name HA) (resid 63 and name HD11) 3.2 1.4 0.0 ! 6.51e+00 assign (resid 63 and name HG) (resid 63 and name HD11) 2.7 0.9 0.0 ! 1.31e+01 assign (resid 63 and name HN) (resid 63 and name HA) 3.2 1.4 0.0 ! 2.69e+00 assign (resid 63 and name HN) (resid 63 and name HD11) 4.8 3.0 0.0 ! 3.15e+00 assign (resid 64 and name HE1) (resid 62 and name HN) 4.8 3.0 0.0 ! 6.12e-01 assign (resid 64 and name HE3) (resid 62 and name HB1) 4.8 3.0 0.0 ! 1.38e+00 assign (resid 64 and name HN) (resid 64 and name HA) 2.7 0.9 0.0 ! 4.17e+00 assign (resid 64 and name HE1) (resid 64 and name HN) 4.8 3.0 0.0 ! 8.11e-01 assign (resid 64 and name HN) (resid 64 and name HE3) 4.8 3.0 0.0 ! 1.15e+00 assign (resid 64 and name HN) (resid 65 and name HN) 3.2 1.4 0.0 ! 2.48e+00 assign (resid 58 and name HZ) (resid 66 and name HA) 4.8 3.0 0.0 ! 1.18e+00 assign (resid 58 and name HZ) (resid 66 and name HB1) 4.8 3.0 0.0 ! 1.24e+00 assign (resid 58 and name HZ) (resid 66 and name HB2) 4.8 3.0 0.0 ! 9.95e-01 assign (resid 66 and name HA) (resid 61 and name HD11) 4.8 3.0 0.0 ! 6.98e-01 assign (resid 63 and name HA) (resid 66 and name HB2) 3.2 1.4 0.0 ! 2.51e+00 assign (resid 66 and name HN) (resid 65 and name HN) 2.7 0.9 0.0 ! 4.10e+00 assign (resid 66 and name HA) (resid 66 and name HB2) 4.8 3.0 0.0 ! 1.04e+00 assign (resid 66 and name HN) (resid 66 and name HB1) 4.8 3.0 0.0 ! 9.91e-01 assign (resid 67 and name HN) (resid 66 and name HA) 4.8 3.0 0.0 ! 1.08e+00 assign (resid 67 and name HN) (resid 66 and name HN) 3.2 1.4 0.0 ! 3.14e+00 assign (resid 67 and name HB1) (resid 67 and name HB2) 2.7 0.9 0.0 ! 4.96e+00 assign (resid 67 and name HN) (resid 67 and name HB1) 3.2 1.4 0.0 ! 3.12e+00 assign (resid 67 and name HN) (resid 67 and name HB2) 4.8 3.0 0.0 ! 2.02e+00 assign (resid 67 and name HN) (resid 68 and name HN) 3.2 1.4 0.0 ! 3.80e+00 assign (resid 53 and name HE1) (resid 69 and name HD11) 4.8 3.0 0.0 ! 1.03e+01 assign (resid 53 and name HE1) (resid 69 and name HD21) 4.8 3.0 0.0 ! 3.45e+00 assign (resid 69 and name HD11) (resid 61 and name HD11) 4.8 3.0 0.0 ! 5.94e+00 assign (resid 69 and name HN) (resid 68 and name HN) 3.2 1.4 0.0 ! 3.84e+00 assign (resid 69 and name HB2) (resid 69 and name HB1) 3.2 1.4 0.0 ! 3.51e+00 assign (resid 69 and name HN) (resid 69 and name HA) 3.2 1.4 0.0 ! 2.99e+00 assign (resid 69 and name HN) (resid 69 and name HB1) 4.8 3.0 0.0 ! 2.18e+00 assign (resid 69 and name HN) (resid 69 and name HB2) 2.7 0.9 0.0 ! 4.70e+00 assign (resid 69 and name HN) (resid 69 and name HD11) 4.8 3.0 0.0 ! 2.92e+00 assign (resid 69 and name HN) (resid 69 and name HD21) 4.8 3.0 0.0 ! 2.22e+00 assign (resid 70 and name HN) (resid 58 and name HZ) 4.8 3.0 0.0 ! 1.08e+00 assign (resid 70 and name HN) (resid 66 and name HE) 4.8 3.0 0.0 ! 9.84e-01 assign (resid 70 and name HN) (resid 67 and name HN) 4.8 3.0 0.0 ! 5.51e-01 assign (resid 70 and name HN) (resid 69 and name HB2) 4.8 3.0 0.0 ! 1.98e+00 assign (resid 70 and name HN) (resid 69 and name HN) 3.2 1.4 0.0 ! 3.04e+00 assign (resid 71 and name HN) (resid 68 and name HA) 4.8 3.0 0.0 ! 1.94e+00 assign (resid 71 and name HN) (resid 69 and name HN) 4.8 3.0 0.0 ! 6.57e-01 assign (resid 72 and name HN) (resid 69 and name HA) 3.2 1.4 0.0 ! 3.17e+00 assign (resid 71 and name HN) (resid 72 and name HN) 2.7 0.9 0.0 ! 4.09e+00 assign (resid 72 and name HN) (resid 72 and name HA) 2.7 0.9 0.0 ! 5.04e+00 assign (resid 73 and name HB1) (resid 50 and name HG11) 4.8 3.0 0.0 ! 7.21e+00 assign (resid 73 and name HN) (resid 69 and name HA) 4.8 3.0 0.0 ! 1.27e+00 assign (resid 73 and name HA) (resid 73 and name HB1) 3.2 1.4 0.0 ! 6.87e+00 assign (resid 74 and name HN) (resid 73 and name HA) 4.8 3.0 0.0 ! 1.36e+00 assign (resid 74 and name HN) (resid 73 and name HB1) 4.8 3.0 0.0 ! 2.44e+00 assign (resid 74 and name HN) (resid 73 and name HN) 2.7 0.9 0.0 ! 3.97e+00 assign (resid 74 and name HN) (resid 74 and name HA) 2.7 0.9 0.0 ! 5.96e+00 assign (resid 75 and name HD11) (resid 50 and name HG11) 4.8 3.0 0.0 ! 2.85e+00 assign (resid 75 and name HD11) (resid 50 and name HG21) 4.8 3.0 0.0 ! 2.66e+00 assign (resid 51 and name HZ) (resid 75 and name HB2) 4.8 3.0 0.0 ! 1.76e+00 assign (resid 51 and name HZ) (resid 75 and name HD11) 3.2 1.4 0.0 ! 5.60e+00 assign (resid 51 and name HZ) (resid 75 and name HD21) 4.8 3.0 0.0 ! 2.00e+00 assign (resid 75 and name HN) (resid 71 and name HA) 4.8 3.0 0.0 ! 1.04e+00 assign (resid 75 and name HN) (resid 73 and name HN) 4.8 3.0 0.0 ! 8.47e-01 assign (resid 75 and name HN) (resid 74 and name HN) 3.2 1.4 0.0 ! 2.54e+00 assign (resid 75 and name HB2) (resid 75 and name HD21) 4.8 3.0 0.0 ! 7.59e+00 assign (resid 75 and name HG) (resid 75 and name HD21) 4.8 3.0 0.0 ! 3.99e+00 assign (resid 75 and name HN) (resid 75 and name HB1) 4.8 3.0 0.0 ! 1.54e+00 assign (resid 75 and name HN) (resid 75 and name HD11) 4.8 3.0 0.0 ! 1.68e+00 assign (resid 75 and name HN) (resid 75 and name HD21) 4.8 3.0 0.0 ! 1.23e+00 assign (resid 75 and name HN) (resid 75 and name HG) 4.8 3.0 0.0 ! 9.39e-01 assign (resid 76 and name HZ) (resid 67 and name HB1) 4.8 3.0 0.0 ! 9.07e-01 assign (resid 76 and name HZ) (resid 67 and name HB2) 4.8 3.0 0.0 ! 1.38e+00 assign (resid 76 and name HN) (resid 75 and name HD21) 4.8 3.0 0.0 ! 1.51e+00 assign (resid 13 and name HA) (resid 13 and name HB) 4.8 3.0 0.0 ! 1.07e+00 assign (resid 13 and name HA) (resid 13 and name HD11) 3.2 1.4 0.0 ! 2.67e+00 assign (resid 13 and name HA) (resid 13 and name HG11) 4.8 3.0 0.0 ! 7.20e-01 assign (resid 13 and name HA) (resid 13 and name HG12) 4.8 3.0 0.0 ! 8.93e-01 assign (resid 13 and name HA) (resid 13 and name HG21) 2.7 0.9 0.0 ! 3.75e+00 assign (resid 16 and name HA) (resid 19 and name HD11) 3.2 1.4 0.0 ! 2.83e+00 assign (resid 22 and name HA) (resid 22 and name HB) 2.7 0.9 0.0 ! 2.40e+01 assign (resid 11 and name HD21) (resid 33 and name HG11) 4.8 3.0 0.0 ! 1.86e+00 assign (resid 11 and name HD21) (resid 33 and name HG21) 4.8 3.0 0.0 ! 1.86e+00 assign (resid 19 and name HD21) (resid 33 and name HG21) 4.8 3.0 0.0 ! 2.17e+00 assign (resid 38 and name HA) (resid 33 and name HG11) 4.8 3.0 0.0 ! 6.65e-01 assign (resid 41 and name HA) (resid 11 and name HD11) 4.8 3.0 0.0 ! 4.45e-01 assign (resid 41 and name HE1) (resid 11 and name HG) 4.8 3.0 0.0 ! 5.69e-01 assign (resid 41 and name HA) (resid 13 and name HD11) 4.8 3.0 0.0 ! 1.57e+00 assign (resid 41 and name HA) (resid 13 and name HG21) 4.8 3.0 0.0 ! 6.78e-01 assign (resid 41 and name HA) (resid 19 and name HD11) 4.8 3.0 0.0 ! 3.79e-01 assign (resid 41 and name HD2) (resid 19 and name HD21) 4.8 3.0 0.0 ! 1.09e+00 assign (resid 41 and name HE1) (resid 33 and name HB) 4.8 3.0 0.0 ! 6.89e-01 assign (resid 41 and name HD2) (resid 41 and name HA) 4.8 3.0 0.0 ! 7.11e-01 assign (resid 42 and name HA) (resid 13 and name HD11) 4.8 3.0 0.0 ! 3.67e-01 assign (resid 42 and name HA) (resid 13 and name HG21) 4.8 3.0 0.0 ! 8.21e-01 assign (resid 42 and name HA) (resid 19 and name HD11) 4.8 3.0 0.0 ! 6.94e-01 assign (resid 42 and name HA) (resid 42 and name HB1) 2.7 0.9 0.0 ! 1.98e+00 assign (resid 42 and name HA) (resid 42 and name HB2) 3.2 1.4 0.0 ! 1.12e+00 assign (resid 42 and name HA) (resid 42 and name HD11) 4.8 3.0 0.0 ! 5.55e-01 assign (resid 42 and name HA) (resid 42 and name HD21) 2.7 0.9 0.0 ! 5.31e+00 assign (resid 42 and name HA) (resid 42 and name HG) 4.8 3.0 0.0 ! 9.17e-01 assign (resid 43 and name HB1) (resid 13 and name HG21) 4.8 3.0 0.0 ! 1.97e+00 assign (resid 43 and name HB2) (resid 13 and name HG21) 3.2 1.4 0.0 ! 2.81e+00 assign (resid 43 and name HB1) (resid 43 and name HA) 2.7 0.9 0.0 ! 5.10e+00 assign (resid 46 and name HA) (resid 42 and name HD21) 4.8 3.0 0.0 ! 6.17e-01 assign (resid 47 and name HA) (resid 42 and name HD11) 2.7 0.9 0.0 ! 4.97e+00 assign (resid 46 and name HA) (resid 50 and name HG21) 4.8 3.0 0.0 ! 6.88e-01 assign (resid 47 and name HA) (resid 50 and name HG11) 4.8 3.0 0.0 ! 3.38e-01 assign (resid 51 and name HA) (resid 50 and name HG11) 4.8 3.0 0.0 ! 5.48e-01 assign (resid 53 and name HA) (resid 53 and name HE1) 4.8 3.0 0.0 ! 1.55e+00 assign (resid 54 and name HA) (resid 54 and name HB1) 2.7 0.9 0.0 ! 5.84e+00 assign (resid 54 and name HA) (resid 54 and name HB2) 2.7 0.9 0.0 ! 5.48e+00 assign (resid 57 and name HA) (resid 57 and name HB2) 3.2 1.4 0.0 ! 1.75e+00 assign (resid 47 and name HZ) (resid 58 and name HA) 4.8 3.0 0.0 ! 5.18e-01 assign (resid 59 and name HN) (resid 56 and name HA) 2.7 0.9 0.0 ! 2.34e+00 assign (resid 60 and name HN) (resid 56 and name HA) 4.8 3.0 0.0 ! 2.79e+00 assign (resid 47 and name HZ) (resid 61 and name HD11) 4.8 3.0 0.0 ! 2.65e-01 assign (resid 64 and name HA) (resid 63 and name HD11) 4.8 3.0 0.0 ! 7.26e-01 assign (resid 66 and name HA) (resid 61 and name HB2) 4.8 3.0 0.0 ! 3.98e-01 assign (resid 66 and name HA) (resid 66 and name HB1) 3.2 1.4 0.0 ! 1.38e+00 assign (resid 64 and name HA) (resid 67 and name HB2) 3.2 1.4 0.0 ! 1.14e+00 assign (resid 67 and name HA) (resid 67 and name HB1) 3.2 1.4 0.0 ! 1.45e+00 assign (resid 67 and name HA) (resid 67 and name HB2) 3.2 1.4 0.0 ! 1.20e+00 assign (resid 58 and name HZ) (resid 69 and name HB2) 4.8 3.0 0.0 ! 6.37e-01 assign (resid 66 and name HA) (resid 69 and name HB2) 4.8 3.0 0.0 ! 7.59e-01 assign (resid 69 and name HA) (resid 69 and name HB2) 3.2 1.4 0.0 ! 1.61e+00 assign (resid 69 and name HB2) (resid 69 and name HD11) 3.2 1.4 0.0 ! 2.94e+00 assign (resid 51 and name HZ) (resid 70 and name HA) 3.2 1.4 0.0 ! 1.53e+00 assign (resid 58 and name HZ) (resid 70 and name HA) 4.8 3.0 0.0 ! 3.67e-01 assign (resid 67 and name HA) (resid 70 and name HB1) 3.2 1.4 0.0 ! 1.42e+00 assign (resid 67 and name HA) (resid 70 and name HB2) 4.8 3.0 0.0 ! 1.13e+00 assign (resid 73 and name HA) (resid 50 and name HG11) 4.8 3.0 0.0 ! 8.75e-01 assign (resid 75 and name HA) (resid 75 and name HD21) 2.7 0.9 0.0 ! 6.58e+00 assign (resid 76 and name HZ) (resid 67 and name HA) 4.8 3.0 0.0 ! 3.34e-01 assign (resid 11 and name HN) (resid 10 and name HN) 4.8 3.0 0.0 ! 1.15e+00 assign (resid 11 and name HN) (resid 11 and name HA) 2.7 0.9 0.0 ! 2.64e+01 assign (resid 11 and name HN) (resid 11 and name HD11) 2.7 0.9 0.0 ! 1.40e+01 assign (resid 11 and name HN) (resid 11 and name HG) 2.7 0.9 0.0 ! 9.15e+00 assign (resid 12 and name HN) (resid 12 and name HA) 2.7 0.9 0.0 ! 8.03e+00 assign (resid 13 and name HN) (resid 12 and name HN) 4.8 3.0 0.0 ! 5.58e-01 assign (resid 13 and name HN) (resid 13 and name HA) 3.2 1.4 0.0 ! 1.59e+00 assign (resid 13 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 9.70e-01 assign (resid 13 and name HN) (resid 13 and name HG11) 3.2 1.4 0.0 ! 1.41e+00 assign (resid 13 and name HN) (resid 13 and name HG12) 3.2 1.4 0.0 ! 2.27e+00 assign (resid 14 and name HN) (resid 13 and name HA) 2.7 0.9 0.0 ! 4.72e+00 assign (resid 14 and name HN) (resid 13 and name HB) 4.8 3.0 0.0 ! 6.66e-01 assign (resid 14 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 1.04e+00 assign (resid 14 and name HN) (resid 13 and name HG21) 3.2 1.4 0.0 ! 2.93e+00 assign (resid 14 and name HN) (resid 13 and name HN) 4.8 3.0 0.0 ! 4.31e-01 assign (resid 14 and name HN) (resid 14 and name HA) 3.2 1.4 0.0 ! 1.59e+00 assign (resid 16 and name HN) (resid 15 and name HA) 2.7 0.9 0.0 ! 7.56e+00 assign (resid 16 and name HN) (resid 16 and name HA) 2.7 0.9 0.0 ! 9.27e+00 assign (resid 17 and name HN) (resid 16 and name HA) 3.2 1.4 0.0 ! 1.75e+00 assign (resid 18 and name HN) (resid 17 and name HA) 4.8 3.0 0.0 ! 6.89e-01 assign (resid 17 and name HN) (resid 18 and name HN) 2.7 0.9 0.0 ! 3.90e+00 assign (resid 18 and name HN) (resid 18 and name HA) 2.7 0.9 0.0 ! 3.18e+00 assign (resid 19 and name HN) (resid 17 and name HA) 4.8 3.0 0.0 ! 4.22e-01 assign (resid 19 and name HN) (resid 17 and name HN) 4.8 3.0 0.0 ! 2.95e-01 assign (resid 18 and name HN) (resid 19 and name HB2) 4.8 3.0 0.0 ! 5.76e-01 assign (resid 18 and name HN) (resid 19 and name HG) 4.8 3.0 0.0 ! 6.60e-01 assign (resid 19 and name HN) (resid 19 and name HA) 4.8 3.0 0.0 ! 1.22e+00 assign (resid 19 and name HN) (resid 19 and name HD21) 4.8 3.0 0.0 ! 1.29e+00 assign (resid 19 and name HN) (resid 19 and name HG) 3.2 1.4 0.0 ! 2.68e+00 assign (resid 17 and name HN) (resid 20 and name HB) 4.8 3.0 0.0 ! 5.81e-01 assign (resid 20 and name HN) (resid 17 and name HA) 4.8 3.0 0.0 ! 6.07e-01 assign (resid 18 and name HN) (resid 20 and name HN) 4.8 3.0 0.0 ! 5.97e-01 assign (resid 19 and name HN) (resid 20 and name HA) 4.8 3.0 0.0 ! 3.48e-01 assign (resid 20 and name HN) (resid 19 and name HA) 4.8 3.0 0.0 ! 8.08e-01 assign (resid 20 and name HN) (resid 19 and name HN) 3.2 1.4 0.0 ! 2.74e+00 assign (resid 20 and name HN) (resid 20 and name HA) 3.2 1.4 0.0 ! 1.49e+00 assign (resid 20 and name HN) (resid 20 and name HB) 3.2 1.4 0.0 ! 2.80e+00 assign (resid 20 and name HN) (resid 20 and name HG21) 4.8 3.0 0.0 ! 2.45e+00 assign (resid 21 and name HN) (resid 20 and name HG11) 4.8 3.0 0.0 ! 1.23e+00 assign (resid 21 and name HN) (resid 20 and name HG21) 4.8 3.0 0.0 ! 1.01e+00 assign (resid 21 and name HN) (resid 20 and name HN) 4.8 3.0 0.0 ! 5.50e-01 assign (resid 21 and name HN) (resid 21 and name HA) 2.7 0.9 0.0 ! 3.24e+00 assign (resid 21 and name HN) (resid 21 and name HG21) 3.2 1.4 0.0 ! 5.53e+00 assign (resid 22 and name HN) (resid 21 and name HA) 2.7 0.9 0.0 ! 6.35e+00 assign (resid 22 and name HN) (resid 21 and name HB) 4.8 3.0 0.0 ! 1.50e+00 assign (resid 22 and name HN) (resid 21 and name HG11) 3.2 1.4 0.0 ! 3.04e+00 assign (resid 21 and name HN) (resid 22 and name HN) 4.8 3.0 0.0 ! 6.30e-01 assign (resid 22 and name HN) (resid 22 and name HA) 2.7 0.9 0.0 ! 7.65e+00 assign (resid 22 and name HN) (resid 22 and name HB) 3.2 1.4 0.0 ! 2.69e+00 assign (resid 22 and name HN) (resid 22 and name HG1) 2.7 0.9 0.0 ! 1.04e+01 assign (resid 23 and name HN) (resid 22 and name HA) 3.2 1.4 0.0 ! 2.32e+00 assign (resid 23 and name HN) (resid 23 and name HA) 2.7 0.9 0.0 ! 8.06e+00 assign (resid 24 and name HN) (resid 23 and name HA) 3.2 1.4 0.0 ! 2.50e+00 assign (resid 24 and name HN) (resid 24 and name HA) 2.7 0.9 0.0 ! 6.59e+00 assign (resid 26 and name HN) (resid 26 and name HA) 2.7 0.9 0.0 ! 5.43e+00 assign (resid 26 and name HN) (resid 27 and name HN) 4.8 3.0 0.0 ! 8.61e-01 assign (resid 27 and name HN) (resid 27 and name HA) 2.7 0.9 0.0 ! 1.02e+01 assign (resid 27 and name HN) (resid 27 and name HG1) 4.8 3.0 0.0 ! 2.25e+01 assign (resid 28 and name HN) (resid 27 and name HB) 3.2 1.4 0.0 ! 2.28e+00 assign (resid 27 and name HN) (resid 28 and name HN) 4.8 3.0 0.0 ! 1.15e+00 assign (resid 29 and name HN) (resid 29 and name HA) 2.7 0.9 0.0 ! 4.32e+00 assign (resid 29 and name HN) (resid 29 and name HB1) 4.8 3.0 0.0 ! 9.98e-01 assign (resid 29 and name HN) (resid 29 and name HB2) 3.2 1.4 0.0 ! 1.47e+00 assign (resid 29 and name HN) (resid 29 and name HD11) 4.8 3.0 0.0 ! 5.84e-01 assign (resid 32 and name HN) (resid 31 and name HA) 2.7 0.9 0.0 ! 5.38e+00 assign (resid 33 and name HN) (resid 31 and name HA) 4.8 3.0 0.0 ! 1.08e+00 assign (resid 32 and name HN) (resid 33 and name HN) 3.2 1.4 0.0 ! 2.06e+00 assign (resid 33 and name HN) (resid 33 and name HA) 2.7 0.9 0.0 ! 6.29e+00 assign (resid 33 and name HN) (resid 33 and name HG11) 4.8 3.0 0.0 ! 3.17e+00 assign (resid 33 and name HN) (resid 33 and name HG21) 3.2 1.4 0.0 ! 3.24e+00 assign (resid 33 and name HN) (resid 34 and name HA) 4.8 3.0 0.0 ! 2.98e-01 assign (resid 34 and name HN) (resid 33 and name HA) 2.7 0.9 0.0 ! 6.71e+00 assign (resid 34 and name HN) (resid 33 and name HG11) 4.8 3.0 0.0 ! 1.79e+00 assign (resid 34 and name HN) (resid 33 and name HN) 4.8 3.0 0.0 ! 6.72e-01 assign (resid 34 and name HN) (resid 34 and name HA) 3.2 1.4 0.0 ! 1.41e+00 assign (resid 35 and name HN) (resid 33 and name HG11) 4.8 3.0 0.0 ! 4.75e-01 assign (resid 35 and name HN) (resid 35 and name HA) 3.2 1.4 0.0 ! 2.29e+00 assign (resid 36 and name HN) (resid 35 and name HA) 4.8 3.0 0.0 ! 7.07e-01 assign (resid 36 and name HN) (resid 36 and name HA) 2.7 0.9 0.0 ! 3.74e+00 assign (resid 36 and name HN) (resid 36 and name HE1) 4.8 3.0 0.0 ! 8.07e-01 assign (resid 36 and name HN) (resid 37 and name HN) 2.7 0.9 0.0 ! 3.79e+00 assign (resid 37 and name HN) (resid 37 and name HA) 3.2 1.4 0.0 ! 1.97e+00 assign (resid 34 and name HN) (resid 38 and name HD21) 4.8 3.0 0.0 ! 4.97e-01 assign (resid 37 and name HN) (resid 38 and name HD11) 4.8 3.0 0.0 ! 6.94e-01 assign (resid 37 and name HN) (resid 38 and name HD21) 4.8 3.0 0.0 ! 5.06e-01 assign (resid 38 and name HN) (resid 37 and name HA) 3.2 1.4 0.0 ! 2.03e+00 assign (resid 38 and name HN) (resid 38 and name HA) 4.8 3.0 0.0 ! 5.96e-01 assign (resid 38 and name HN) (resid 38 and name HB1) 3.2 1.4 0.0 ! 5.24e+00 assign (resid 38 and name HN) (resid 38 and name HB2) 3.2 1.4 0.0 ! 2.44e+00 assign (resid 38 and name HN) (resid 38 and name HD11) 4.8 3.0 0.0 ! 2.01e+00 assign (resid 38 and name HN) (resid 38 and name HD21) 3.2 1.4 0.0 ! 2.67e+00 assign (resid 39 and name HN) (resid 38 and name HB2) 4.8 3.0 0.0 ! 1.29e+00 assign (resid 39 and name HN) (resid 38 and name HD11) 4.8 3.0 0.0 ! 1.04e+00 assign (resid 39 and name HN) (resid 38 and name HN) 3.2 1.4 0.0 ! 1.75e+00 assign (resid 39 and name HN) (resid 39 and name HA) 3.2 1.4 0.0 ! 1.94e+00 assign (resid 40 and name HN) (resid 11 and name HD11) 4.8 3.0 0.0 ! 3.91e-01 assign (resid 39 and name HN) (resid 40 and name HN) 2.7 0.9 0.0 ! 4.15e+00 assign (resid 40 and name HN) (resid 40 and name HA) 2.7 0.9 0.0 ! 5.51e+00 assign (resid 14 and name HN) (resid 41 and name HA) 4.8 3.0 0.0 ! 5.45e-01 assign (resid 34 and name HN) (resid 41 and name HE1) 4.8 3.0 0.0 ! 7.35e-01 assign (resid 41 and name HN) (resid 40 and name HA) 3.2 1.4 0.0 ! 1.51e+00 assign (resid 41 and name HN) (resid 41 and name HD2) 3.2 1.4 0.0 ! 1.33e+00 assign (resid 42 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 3.36e-01 assign (resid 40 and name HN) (resid 42 and name HN) 4.8 3.0 0.0 ! 5.67e-01 assign (resid 41 and name HN) (resid 42 and name HG) 4.8 3.0 0.0 ! 5.94e-01 assign (resid 41 and name HN) (resid 42 and name HN) 2.7 0.9 0.0 ! 3.02e+00 assign (resid 42 and name HN) (resid 42 and name HA) 3.2 1.4 0.0 ! 1.43e+00 assign (resid 42 and name HN) (resid 42 and name HB1) 3.2 1.4 0.0 ! 1.69e+00 assign (resid 42 and name HN) (resid 42 and name HB2) 3.2 1.4 0.0 ! 2.02e+00 assign (resid 42 and name HN) (resid 42 and name HD21) 4.8 3.0 0.0 ! 1.16e+00 assign (resid 43 and name HN) (resid 13 and name HG21) 4.8 3.0 0.0 ! 2.39e+00 assign (resid 43 and name HN) (resid 42 and name HB2) 4.8 3.0 0.0 ! 8.80e-01 assign (resid 43 and name HN) (resid 42 and name HD21) 4.8 3.0 0.0 ! 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4.71e-01 assign (resid 46 and name HN) (resid 48 and name HN) 4.8 3.0 0.0 ! 8.43e-01 assign (resid 47 and name HN) (resid 48 and name HN) 2.7 0.9 0.0 ! 3.25e+00 assign (resid 48 and name HN) (resid 48 and name HA) 2.7 0.9 0.0 ! 1.55e+01 assign (resid 49 and name HE) (resid 46 and name HA) 4.8 3.0 0.0 ! -7.67e-01 assign (resid 49 and name HN) (resid 46 and name HA) 3.2 1.4 0.0 ! 2.01e+00 assign (resid 49 and name HN) (resid 47 and name HA) 4.8 3.0 0.0 ! 6.53e-01 assign (resid 49 and name HN) (resid 47 and name HN) 4.8 3.0 0.0 ! 6.37e-01 assign (resid 48 and name HN) (resid 49 and name HN) 2.7 0.9 0.0 ! 2.95e+00 assign (resid 49 and name HN) (resid 49 and name HA) 2.7 0.9 0.0 ! 1.70e+01 assign (resid 50 and name HN) (resid 46 and name HA) 4.8 3.0 0.0 ! 6.61e-01 assign (resid 50 and name HN) (resid 47 and name HA) 4.8 3.0 0.0 ! 9.92e-01 assign (resid 48 and name HN) (resid 50 and name HB) 4.8 3.0 0.0 ! 2.65e-01 assign (resid 49 and name HN) (resid 50 and name HB) 4.8 3.0 0.0 ! 8.48e-01 assign (resid 49 and name HN) (resid 50 and name HG21) 4.8 3.0 0.0 ! 1.17e+00 assign (resid 50 and name HN) (resid 49 and name HA) 3.2 1.4 0.0 ! 1.64e+00 assign (resid 50 and name HN) (resid 49 and name HN) 2.7 0.9 0.0 ! 2.96e+00 assign (resid 50 and name HN) (resid 50 and name HA) 2.7 0.9 0.0 ! 7.88e+00 assign (resid 51 and name HN) (resid 50 and name HA) 4.8 3.0 0.0 ! 1.00e+00 assign (resid 51 and name HN) (resid 50 and name HB) 3.2 1.4 0.0 ! 2.78e+00 assign (resid 51 and name HN) (resid 50 and name HG11) 4.8 3.0 0.0 ! 1.29e+00 assign (resid 50 and name HN) (resid 51 and name HN) 2.7 0.9 0.0 ! 3.23e+00 assign (resid 51 and name HN) (resid 51 and name HA) 3.2 1.4 0.0 ! 2.60e+00 assign (resid 52 and name HN) (resid 49 and name HA) 4.8 3.0 0.0 ! 6.87e-01 assign (resid 52 and name HN) (resid 50 and name HA) 4.8 3.0 0.0 ! 3.42e-01 assign (resid 52 and name HN) (resid 50 and name HB) 4.8 3.0 0.0 ! 4.91e-01 assign (resid 51 and name HN) (resid 52 and name HA) 4.8 3.0 0.0 ! 1.40e+00 assign (resid 51 and name HN) (resid 52 and name HB1) 4.8 3.0 0.0 ! 4.08e-01 assign (resid 52 and name HN) (resid 51 and name HA) 3.2 1.4 0.0 ! 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7.40e-01 assign (resid 67 and name HN) (resid 66 and name HB1) 3.2 1.4 0.0 ! 1.70e+00 assign (resid 67 and name HN) (resid 66 and name HB2) 3.2 1.4 0.0 ! 1.70e+00 assign (resid 66 and name HN) (resid 67 and name HN) 2.7 0.9 0.0 ! 3.74e+00 assign (resid 67 and name HN) (resid 67 and name HA) 2.7 0.9 0.0 ! 2.89e+00 assign (resid 68 and name HN) (resid 64 and name HA) 4.8 3.0 0.0 ! 6.77e-01 assign (resid 68 and name HN) (resid 65 and name HA) 3.2 1.4 0.0 ! 2.96e+00 assign (resid 68 and name HN) (resid 67 and name HA) 4.8 3.0 0.0 ! 1.11e+00 assign (resid 68 and name HN) (resid 67 and name HB1) 3.2 1.4 0.0 ! 2.49e+00 assign (resid 68 and name HN) (resid 67 and name HN) 2.7 0.9 0.0 ! 4.35e+00 assign (resid 68 and name HN) (resid 68 and name HA) 2.7 0.9 0.0 ! 1.12e+01 assign (resid 69 and name HN) (resid 66 and name HA) 4.8 3.0 0.0 ! 1.14e+00 assign (resid 69 and name HN) (resid 67 and name HA) 4.8 3.0 0.0 ! 5.02e-01 assign (resid 68 and name HN) (resid 69 and name HG) 4.8 3.0 0.0 ! 1.84e+00 assign (resid 69 and name HN) (resid 68 and name HA) 3.2 1.4 0.0 ! 1.90e+00 assign (resid 68 and name HN) (resid 69 and name HN) 2.7 0.9 0.0 ! 4.71e+00 assign (resid 69 and name HN) (resid 69 and name HG) 2.7 0.9 0.0 ! 7.79e+00 assign (resid 70 and name HN) (resid 66 and name HA) 4.8 3.0 0.0 ! 4.52e-01 assign (resid 70 and name HN) (resid 67 and name HA) 4.8 3.0 0.0 ! 1.49e+00 assign (resid 68 and name HN) (resid 70 and name HN) 4.8 3.0 0.0 ! 6.87e-01 assign (resid 70 and name HN) (resid 69 and name HA) 4.8 3.0 0.0 ! 1.22e+00 assign (resid 69 and name HN) (resid 70 and name HN) 2.7 0.9 0.0 ! 3.53e+00 assign (resid 70 and name HN) (resid 70 and name HA) 3.2 1.4 0.0 ! 1.46e+00 assign (resid 70 and name HN) (resid 70 and name HB1) 2.7 0.9 0.0 ! 2.85e+00 assign (resid 70 and name HN) (resid 70 and name HB2) 3.2 1.4 0.0 ! 2.29e+00 assign (resid 71 and name HN) (resid 67 and name HA) 4.8 3.0 0.0 ! 9.46e-01 assign (resid 70 and name HN) (resid 71 and name HN) 2.7 0.9 0.0 ! 3.08e+00 assign (resid 71 and name HN) (resid 71 and name HA) 2.7 0.9 0.0 ! 5.34e+00 assign (resid 72 and name HN) (resid 71 and name HA) 3.2 1.4 0.0 ! 2.48e+00 assign (resid 73 and name HN) (resid 70 and name HA) 3.2 1.4 0.0 ! 1.32e+00 assign (resid 71 and name HN) (resid 73 and name HN) 4.8 3.0 0.0 ! 5.87e-01 assign (resid 72 and name HN) (resid 73 and name HB1) 4.8 3.0 0.0 ! 7.76e-01 assign (resid 73 and name HN) (resid 72 and name HA) 3.2 1.4 0.0 ! 1.87e+00 assign (resid 73 and name HN) (resid 72 and name HN) 2.7 0.9 0.0 ! 4.02e+00 assign (resid 73 and name HN) (resid 73 and name HA) 2.7 0.9 0.0 ! 2.85e+00 assign (resid 73 and name HN) (resid 73 and name HB1) 2.7 0.9 0.0 ! 2.07e+01 assign (resid 74 and name HN) (resid 71 and name HA) 2.7 0.9 0.0 ! 3.93e+00 assign (resid 74 and name HN) (resid 72 and name HA) 4.8 3.0 0.0 ! 1.36e+00 assign (resid 75 and name HN) (resid 73 and name HB1) 4.8 3.0 0.0 ! 1.11e+00 assign (resid 73 and name HN) (resid 75 and name HN) 4.8 3.0 0.0 ! 6.67e-01 assign (resid 74 and name HN) (resid 75 and name HB2) 4.8 3.0 0.0 ! 3.78e-01 assign (resid 74 and name HN) (resid 75 and name HD21) 4.8 3.0 0.0 ! 5.65e-01 assign (resid 75 and name HN) (resid 74 and name HA) 3.2 1.4 0.0 ! 2.17e+00 assign (resid 74 and name HN) (resid 75 and name HN) 2.7 0.9 0.0 ! 3.75e+00 assign (resid 75 and name HN) (resid 75 and name HA) 4.8 3.0 0.0 ! 7.11e-01 assign (resid 75 and name HN) (resid 75 and name HB2) 3.2 1.4 0.0 ! 1.69e+00 assign (resid 76 and name HN) (resid 71 and name HA) 3.2 1.4 0.0 ! 2.27e+00 assign (resid 74 and name HN) (resid 76 and name HN) 4.8 3.0 0.0 ! 8.37e-01 assign (resid 76 and name HN) (resid 75 and name HB2) 4.8 3.0 0.0 ! 6.35e-01 assign (resid 76 and name HN) (resid 75 and name HN) 2.7 0.9 0.0 ! 4.63e+00 assign (resid 76 and name HN) (resid 76 and name HA) 2.7 0.9 0.0 ! 3.01e+00 assign (resid 17 and name HN) (resid 20 and name HG21) 4.8 3.0 0.0 ! 3.95e-01 assign (resid 19 and name HN) (resid 20 and name HG21) 4.8 3.0 0.0 ! 6.89e-01 assign (resid 35 and name HN) (resid 29 and name HD11) 4.8 3.0 0.0 ! 8.31e-01 assign (resid 37 and name HN) (resid 36 and name HA) 4.8 3.0 0.0 ! 4.41e-01 assign (resid 39 and name HN) (resid 37 and name HA) 4.8 3.0 0.0 ! 4.38e-01 assign (resid 39 and name HN) (resid 38 and name HD21) 4.8 3.0 0.0 ! 6.24e-01 assign (resid 41 and name HD2) (resid 11 and name HD11) 4.8 3.0 0.0 ! 3.28e-01 assign (resid 41 and name HN) (resid 41 and name HA) 4.8 3.0 0.0 ! 8.31e-01 assign (resid 42 and name HN) (resid 19 and name HD11) 4.8 3.0 0.0 ! 4.97e-01 assign (resid 42 and name HN) (resid 41 and name HA) 4.8 3.0 0.0 ! 7.35e-01 assign (resid 43 and name HN) (resid 44 and name HN) 4.8 3.0 0.0 ! 3.56e-01 assign (resid 43 and name HN) (resid 46 and name HN) 4.8 3.0 0.0 ! 2.99e-01 assign (resid 49 and name HN) (resid 48 and name HA) 3.2 1.4 0.0 ! 1.43e+00 assign (resid 47 and name HA) (resid 50 and name HB) 4.8 3.0 0.0 ! 8.61e-01 assign (resid 51 and name HN) (resid 53 and name HN) 4.8 3.0 0.0 ! 5.61e-01 assign (resid 54 and name HN) (resid 53 and name HN) 4.8 3.0 0.0 ! 3.59e-01 assign (resid 62 and name HN) (resid 61 and name HN) 4.8 3.0 0.0 ! 5.57e-01 assign (resid 66 and name HN) (resid 62 and name HB1) 4.8 3.0 0.0 ! 6.35e-01 assign (resid 69 and name HN) (resid 65 and name HA) 4.8 3.0 0.0 ! 3.32e-01 assign (resid 70 and name HN) (resid 69 and name HD21) 4.8 3.0 0.0 ! 5.42e-01 assign (resid 73 and name HN) (resid 50 and name HG11) 4.8 3.0 0.0 ! 3.81e-01 assign (resid 76 and name HN) (resid 74 and name HA) 4.8 3.0 0.0 ! 1.29e+00
Contact the webmaster for help, if required. Thursday, May 9, 2024 10:25:57 PM GMT (wattos1)