NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
26321 |
2ki9   |
16268 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ! REFINE: 05-13-2008 13:02:03 !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ !Refinement of C:\Documents and Settings\HuskyPC\Desktop\CARA\Elvis_H6\Auremol_Knownoe_data\helix6_runG19_auremol.pdb !against C:\Boston\data\lalit\nmr\H6NOESYgpph19sw_011208\1\pdata\1\2rr (902 unique signals) !using C:\Documents and Settings\HuskyPC\Desktop\CARA\Elvis_H6\Auremol_Knownoe_data\H6meta !using C:\Documents and Settings\HuskyPC\Desktop\CARA\Elvis_H6\Auremol_Knownoe_data\H6compoundfileforAuremol !Cutoff 0.60nm !Res. freq. 700.133MHz !Mixing time 0.120s !Relax delay 1.000s !Max. iterations 16 !Vol. tolerance 10.00% !Using three classes: 0.18nm-2.7nm, 0.18nm-3.3nm, 0.18nm-5.0nm ! !Comments: T - Touched ! C - Clipped ! F - Fixed ! A - First atom stereo ! B - Second atom stereo ! ISPA - Two spin approximation ! Final rescaling factor ! Spectral density class ! Residue names ! Distance in test structure in angstroms ! Deviation from test structure in angstroms !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ assign (resid 1 and name HA) (resid 1 and name HB2) 4.00 2.50 2.50 ! 1.070693 5 ASP/ASP 3.03 -3.33e-002 0 0 assign (resid 1 and name HA) (resid 1 and name HB1) 4.00 2.50 2.50 ! 1.037163 5 ASP/ASP 2.44 -4.44e-001 0 0 assign (resid 1 and name HA) (resid 2 and name HN) 4.00 2.50 2.50 !T 1.096127 5 ASP/VAL 2.62 -6.22e-001 0 0 assign (resid 1 and name HA) (resid 2 and name HB) 4.00 2.50 2.50 !T 1.095352 5 ASP/VAL 5.06 -1.06e+000 0 0 assign (resid 1 and name HA) (resid 2 and name HG1#) 4.00 2.50 2.50 !TISPA 1.000000 2 ASP/VAL 6.94 -3.94e+000 0 0 assign (resid 1 and name HA) (resid 2 and name HG2#) 4.00 2.50 2.50 ! 1.085822 2 ASP/VAL 5.00 -1.00e+000 0 0 assign (resid 1 and name HA) (resid 3 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 ASP/ARG 6.08 -3.08e+000 0 0 assign (resid 1 and name HA) (resid 4 and name HN) 4.00 2.50 2.50 !T 1.098102 5 ASP/LEU 4.25 -2.46e-001 0 0 assign (resid 1 and name HA) (resid 4 and name HD1#) 4.00 2.50 2.50 !T 1.097578 2 ASP/LEU 5.58 -1.58e+000 0 0 assign (resid 1 and name HA) (resid 8 and name HD1#) 4.00 2.50 2.50 !T 1.094972 2 ASP/LEU 6.03 -2.03e+000 0 0 assign (resid 1 and name HB2) (resid 1 and name HB1) 4.00 2.50 2.50 !F 1.000000 5 ASP/ASP 1.78 2.20e-001 0 0 assign (resid 1 and name HB2) (resid 2 and name HN) 4.00 2.50 2.50 ! 1.053851 5 ASP/VAL 3.20 -1.98e-001 0 0 assign (resid 1 and name HB2) (resid 2 and name HB) 4.00 2.50 2.50 ! 1.056147 5 ASP/VAL 4.48 -4.80e-001 0 0 assign (resid 1 and name HB2) (resid 2 and name HG1#) 4.00 2.50 2.50 !T 1.087515 2 ASP/VAL 6.29 -2.29e+000 0 0 assign (resid 1 and name HB2) (resid 2 and name HG2#) 4.00 2.50 2.50 !T 0.901202 2 ASP/VAL 3.19 8.06e-001 0 0 assign (resid 1 and name HB2) (resid 3 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 ASP/ARG 6.91 -2.91e+000 0 0 assign (resid 1 and name HB2) (resid 4 and name HN) 4.00 2.50 2.50 !T 1.097165 5 ASP/LEU 6.18 -2.18e+000 0 0 assign (resid 1 and name HB1) (resid 2 and name HN) 4.00 2.50 2.50 ! 0.946256 5 ASP/VAL 2.17 -1.71e-001 0 0 assign (resid 1 and name HB1) (resid 3 and name HN) 4.00 2.50 2.50 !T 1.081560 5 ASP/ARG 6.33 -2.33e+000 0 0 assign (resid 1 and name HB1) (resid 3 and name HG1) 4.00 2.50 2.50 !TISPA 1.000000 5 ASP/ARG 7.23 -3.23e+000 0 0 assign (resid 1 and name HB1) (resid 4 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 ASP/LEU 5.43 -1.43e+000 0 0 assign (resid 1 and name HB1) (resid 4 and name HD1#) 4.00 2.50 2.50 !T 1.087723 2 ASP/LEU 6.41 -2.41e+000 0 0 assign (resid 1 and name HB1) (resid 8 and name HD1#) 4.00 2.50 2.50 !T 1.096514 2 ASP/LEU 7.68 -3.68e+000 0 0 assign (resid 2 and name HN) (resid 2 and name HB) 4.00 2.50 2.50 !T 1.094435 5 VAL/VAL 3.77 -7.65e-001 0 0 assign (resid 2 and name HN) (resid 2 and name HG1#) 4.00 2.50 2.50 !T 1.096488 2 VAL/VAL 4.86 -8.61e-001 0 0 assign (resid 2 and name HN) (resid 2 and name HG2#) 4.00 2.50 2.50 ! 1.020218 2 VAL/VAL 3.35 6.53e-001 0 0 assign (resid 2 and name HN) (resid 3 and name HN) 4.00 2.50 2.50 !T 1.099105 5 VAL/ARG 4.19 -1.19e+000 0 0 assign (resid 2 and name HN) (resid 3 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/ARG 6.08 -4.08e+000 0 0 assign (resid 2 and name HN) (resid 3 and name HB2) 4.00 2.50 2.50 !T 1.089045 5 VAL/ARG 5.95 -1.95e+000 0 0 assign (resid 2 and name HN) (resid 3 and name HB1) 4.00 2.50 2.50 !T 1.088058 5 VAL/ARG 7.17 -3.17e+000 0 0 assign (resid 2 and name HN) (resid 3 and name HG2) 4.00 2.50 2.50 !T 1.055400 5 VAL/ARG 6.34 -2.34e+000 0 0 assign (resid 2 and name HN) (resid 4 and name HN) 4.00 2.50 2.50 ! 1.002783 5 VAL/LEU 3.48 5.24e-001 0 0 assign (resid 2 and name HN) (resid 5 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/ALA 6.67 -2.67e+000 0 0 assign (resid 2 and name HB) (resid 2 and name HG2#) 4.00 2.50 2.50 !F 1.000000 2 VAL/VAL 2.82 1.79e-001 0 0 assign (resid 2 and name HB) (resid 3 and name HN) 4.00 2.50 2.50 !T 1.094019 5 VAL/ARG 3.90 9.72e-002 0 0 assign (resid 2 and name HB) (resid 3 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/ARG 5.43 -3.43e+000 0 0 assign (resid 2 and name HB) (resid 3 and name HB1) 4.00 2.50 2.50 !T 1.084952 5 VAL/ARG 5.49 -1.49e+000 0 0 assign (resid 2 and name HB) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/LEU 6.22 -2.22e+000 0 0 assign (resid 2 and name HG1#) (resid 3 and name HG1) 4.00 2.50 2.50 ! 0.970960 2 VAL/ARG 2.96 4.02e-002 0 0 assign (resid 2 and name HG1#) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/LEU 7.92 -4.92e+000 0 0 assign (resid 2 and name HG2#) (resid 3 and name HN) 4.00 2.50 2.50 !T 1.088569 2 VAL/ARG 5.18 -1.18e+000 0 0 assign (resid 2 and name HG2#) (resid 3 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/ARG 7.25 -5.25e+000 0 0 assign (resid 2 and name HG2#) (resid 3 and name HG2) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/ARG 6.23 -3.23e+000 0 0 assign (resid 2 and name HG2#) (resid 3 and name HE) 4.00 2.50 2.50 !T 1.087464 2 VAL/ARG 7.54 -3.54e+000 0 0 assign (resid 2 and name HG2#) (resid 4 and name HN) 4.00 2.50 2.50 !T 1.097454 2 VAL/LEU 5.83 -1.83e+000 0 0 assign (resid 3 and name HN) (resid 3 and name HA) 4.00 2.50 2.50 ! 1.059610 5 ARG/ARG 2.34 -3.43e-001 0 0 assign (resid 3 and name HN) (resid 3 and name HB2) 4.00 2.50 2.50 !T 1.094904 5 ARG/ARG 3.79 -7.86e-001 0 0 assign (resid 3 and name HN) (resid 3 and name HG2) 4.00 2.50 2.50 ! 1.023331 5 ARG/ARG 2.79 2.08e-001 0 0 assign (resid 3 and name HN) (resid 3 and name HG1) 4.00 2.50 2.50 ! 1.069805 5 ARG/ARG 3.16 -1.55e-001 0 0 assign (resid 3 and name HN) (resid 3 and name HD2) 4.00 2.50 2.50 ! 1.063709 5 ARG/ARG 5.07 -1.07e+000 0 0 assign (resid 3 and name HN) (resid 3 and name HD1) 4.00 2.50 2.50 ! 1.048151 5 ARG/ARG 5.14 -1.14e+000 0 0 assign (resid 3 and name HN) (resid 3 and name HE) 4.00 2.50 2.50 !T 1.083328 5 ARG/ARG 5.33 -1.33e+000 0 0 assign (resid 3 and name HN) (resid 4 and name HN) 4.00 2.50 2.50 ! 1.090603 5 ARG/LEU 2.74 2.60e-001 0 0 assign (resid 3 and name HN) (resid 4 and name HA) 4.00 2.50 2.50 !T 1.098839 5 ARG/LEU 5.05 -1.05e+000 0 0 assign (resid 3 and name HN) (resid 5 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 ARG/ALA 7.24 -3.24e+000 0 0 !assign (resid 3 and name HN) (resid 6 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 ARG/LYS 7.64 -5.64e+000 0 0 assign (resid 3 and name HN) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 ARG/LEU 7.50 -3.50e+000 0 0 assign (resid 3 and name HA) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 ARG/LEU 6.81 -2.81e+000 0 0 assign (resid 3 and name HB2) (resid 3 and name HD2) 4.00 2.50 2.50 ! 1.008994 5 ARG/ARG 3.49 5.07e-001 0 0 assign (resid 3 and name HB2) (resid 3 and name HD1) 4.00 2.50 2.50 ! 1.035147 5 ARG/ARG 3.75 2.51e-001 0 0 assign (resid 3 and name HB2) (resid 3 and name HE) 4.00 2.50 2.50 !T 0.901526 5 ARG/ARG 1.92 7.67e-002 0 0 assign (resid 3 and name HB2) (resid 8 and name HG) 4.00 2.50 2.50 !T 1.095799 5 ARG/LEU 3.85 -8.53e-001 0 0 assign (resid 3 and name HB2) (resid 8 and name HD2#) 4.00 2.50 2.50 !T 1.096041 2 ARG/LEU 6.33 -2.33e+000 0 0 assign (resid 3 and name HB1) (resid 3 and name HD2) 4.00 2.50 2.50 ! 0.964226 5 ARG/ARG 2.57 -5.74e-001 0 0 assign (resid 3 and name HB1) (resid 3 and name HD1) 4.00 2.50 2.50 ! 1.003628 5 ARG/ARG 3.64 3.63e-001 0 0 assign (resid 3 and name HB1) (resid 3 and name HE) 4.00 2.50 2.50 ! 0.967530 5 ARG/ARG 2.41 -4.12e-001 0 0 assign (resid 3 and name HB1) (resid 7 and name HN) 4.00 2.50 2.50 !T 1.096028 5 ARG/THR 4.36 -1.36e+000 0 0 assign (resid 3 and name HG2) (resid 3 and name HD2) 4.00 2.50 2.50 ! 0.989639 5 ARG/ARG 2.37 -3.74e-001 0 0 assign (resid 3 and name HG2) (resid 3 and name HD1) 4.00 2.50 2.50 ! 0.974656 5 ARG/ARG 2.58 -5.81e-001 0 0 assign (resid 3 and name HG2) (resid 3 and name HE) 4.00 2.50 2.50 ! 1.009741 5 ARG/ARG 3.59 4.11e-001 0 0 assign (resid 3 and name HG1) (resid 3 and name HD2) 4.00 2.50 2.50 ! 1.002646 5 ARG/ARG 3.02 -1.93e-002 0 0 assign (resid 3 and name HG1) (resid 3 and name HD1) 4.00 2.50 2.50 ! 0.966828 5 ARG/ARG 2.37 -3.70e-001 0 0 assign (resid 3 and name HG1) (resid 3 and name HE) 4.00 2.50 2.50 ! 1.011092 5 ARG/ARG 2.84 1.56e-001 0 0 assign (resid 3 and name HG1) (resid 7 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 ARG/THR 6.84 -3.84e+000 0 0 assign (resid 3 and name HG1) (resid 7 and name HG2#) 4.00 2.50 2.50 !TISPA 1.000000 2 ARG/THR 7.45 -4.45e+000 0 0 assign (resid 3 and name HD2) (resid 3 and name HE) 4.00 2.50 2.50 ! 1.002257 5 ARG/ARG 2.79 2.07e-001 0 0 assign (resid 3 and name HD2) (resid 7 and name HB) 4.00 2.50 2.50 !T 1.080596 5 ARG/THR 5.07 -1.07e+000 0 0 assign (resid 3 and name HD1) (resid 3 and name HE) 4.00 2.50 2.50 ! 0.999140 5 ARG/ARG 2.89 1.06e-001 0 0 assign (resid 3 and name HD1) (resid 7 and name HB) 4.00 2.50 2.50 !T 1.082805 5 ARG/THR 6.54 -2.54e+000 0 0 assign (resid 3 and name HD1) (resid 7 and name HG2#) 4.00 2.50 2.50 !T 1.076777 2 ARG/THR 7.66 -3.66e+000 0 0 assign (resid 3 and name HD1) (resid 8 and name HD2#) 4.00 2.50 2.50 !T 1.098443 2 ARG/LEU 7.79 -3.79e+000 0 0 assign (resid 3 and name HE) (resid 7 and name HB) 4.00 2.50 2.50 !T 1.092988 5 ARG/THR 4.78 -7.82e-001 0 0 assign (resid 3 and name HE) (resid 11 and name HG2#) 4.00 2.50 2.50 !T 1.091106 2 ARG/VAL 7.76 -3.76e+000 0 0 assign (resid 4 and name HN) (resid 4 and name HA) 4.00 2.50 2.50 ! 1.014373 5 LEU/LEU 2.34 -3.41e-001 0 0 assign (resid 4 and name HN) (resid 4 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 3.39 -1.39e+000 0 0 assign (resid 4 and name HN) (resid 4 and name HD1#) 4.00 2.50 2.50 ! 0.911426 2 LEU/LEU 2.59 -5.87e-001 0 0 assign (resid 4 and name HN) (resid 5 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ALA 4.56 -1.56e+000 0 0 assign (resid 4 and name HN) (resid 6 and name HN) 4.00 2.50 2.50 !T 1.085179 5 LEU/LYS 5.02 -1.02e+000 0 0 assign (resid 4 and name HN) (resid 6 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LYS 6.44 -3.44e+000 0 0 assign (resid 4 and name HN) (resid 7 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/THR 7.70 -4.70e+000 0 0 !assign (resid 4 and name HN) (resid 7 and name HG2#) 4.00 2.50 2.50 !T 1.056712 2 LEU/THR 7.17 -3.17e+000 0 0 assign (resid 4 and name HN) (resid 8 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 5.14 -2.14e+000 0 0 assign (resid 4 and name HN) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 6.73 -2.73e+000 0 0 assign (resid 4 and name HN) (resid 8 and name HD1#) 4.00 2.50 2.50 !T 1.055511 2 LEU/LEU 5.97 -1.97e+000 0 0 assign (resid 4 and name HA) (resid 4 and name HB2) 4.00 2.50 2.50 !T 1.099864 5 LEU/LEU 3.02 -2.16e-002 0 0 assign (resid 4 and name HA) (resid 5 and name HN) 4.00 2.50 2.50 ! 0.982391 5 LEU/ALA 2.47 -4.75e-001 0 0 assign (resid 4 and name HA) (resid 7 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/THR 5.63 -1.63e+000 0 0 assign (resid 4 and name HB2) (resid 4 and name HD1#) 4.00 2.50 2.50 ! 1.093223 2 LEU/LEU 3.08 -7.52e-002 0 0 assign (resid 4 and name HB2) (resid 7 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/THR 6.59 -2.59e+000 0 0 !assign (resid 4 and name HB2) (resid 8 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 5.74 -3.74e+000 0 0 assign (resid 4 and name HD1#) (resid 5 and name HN) 4.00 2.50 2.50 ! 1.065474 2 LEU/ALA 5.37 -1.37e+000 0 0 assign (resid 5 and name HN) (resid 5 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/ALA 2.92 -9.18e-001 0 0 assign (resid 5 and name HN) (resid 6 and name HN) 4.00 2.50 2.50 ! 1.048749 5 ALA/LYS 2.57 -5.71e-001 0 0 assign (resid 5 and name HN) (resid 6 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/LYS 5.25 -1.25e+000 0 0 !assign (resid 5 and name HN) (resid 6 and name HD1) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/LYS 7.34 -4.34e+000 0 0 assign (resid 5 and name HN) (resid 7 and name HN) 4.00 2.50 2.50 ! 1.005342 5 ALA/THR 5.20 -2.20e+000 0 0 !assign (resid 5 and name HN) (resid 7 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/THR 7.75 -3.75e+000 0 0 assign (resid 5 and name HN) (resid 8 and name HN) 4.00 2.50 2.50 !T 1.087156 5 ALA/LEU 5.16 -1.16e+000 0 0 assign (resid 5 and name HN) (resid 8 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/LEU 5.09 -2.09e+000 0 0 assign (resid 5 and name HN) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/LEU 7.51 -5.51e+000 0 0 assign (resid 5 and name HN) (resid 8 and name HD1#) 4.00 2.50 2.50 !T 1.069947 2 ALA/LEU 6.63 -2.63e+000 0 0 assign (resid 5 and name HA) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/LEU 5.24 -3.24e+000 0 0 assign (resid 5 and name HA) (resid 8 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/LEU 4.65 -2.65e+000 0 0 assign (resid 5 and name HB#) (resid 6 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/LYS 6.69 -4.69e+000 0 0 assign (resid 5 and name HB#) (resid 8 and name HN) 4.00 2.50 2.50 !T 1.096581 2 ALA/LEU 5.77 -1.77e+000 0 0 assign (resid 5 and name HB#) (resid 9 and name HN) 4.00 2.50 2.50 ! 1.015865 2 ALA/GLY 4.55 -5.52e-001 0 0 assign (resid 6 and name HN) (resid 6 and name HA) 4.00 2.50 2.50 !T 1.095495 5 LYS/LYS 2.89 -8.86e-001 0 0 assign (resid 6 and name HN) (resid 6 and name HB2) 4.00 2.50 2.50 ! 1.072799 5 LYS/LYS 2.34 -3.36e-001 0 0 assign (resid 6 and name HN) (resid 6 and name HE1) 4.00 2.50 2.50 !TB 1.098044 5 LYS/LYS 6.53 -2.53e+000 0 2 assign (resid 6 and name HN) (resid 6 and name HE2) 4.00 2.50 2.50 !TB 1.098044 5 LYS/LYS 6.67 -2.67e+000 0 2 assign (resid 6 and name HN) (resid 7 and name HN) 4.00 2.50 2.50 ! 1.091599 5 LYS/THR 2.86 1.43e-001 0 0 assign (resid 6 and name HN) (resid 7 and name HA) 4.00 2.50 2.50 !T 1.085306 5 LYS/THR 5.40 -1.40e+000 0 0 assign (resid 6 and name HN) (resid 7 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 LYS/THR 6.42 -3.42e+000 0 0 assign (resid 6 and name HN) (resid 8 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 LYS/LEU 5.22 -2.22e+000 0 0 assign (resid 6 and name HN) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 LYS/LEU 7.07 -4.07e+000 0 0 assign (resid 6 and name HN) (resid 9 and name HN) 4.00 2.50 2.50 !T 1.072485 5 LYS/GLY 4.23 -2.34e-001 0 0 assign (resid 6 and name HN) (resid 9 and name HA2) 4.00 2.50 2.50 !TISPA 1.000000 5 LYS/GLY 6.95 -2.95e+000 0 0 assign (resid 6 and name HA) (resid 6 and name HB1) 4.00 2.50 2.50 !T 1.097453 5 LYS/LYS 3.02 -1.02e+000 0 0 assign (resid 6 and name HA) (resid 6 and name HD1) 4.00 2.50 2.50 !T 0.902322 5 LYS/LYS 2.64 1.36e+000 0 0 assign (resid 6 and name HA) (resid 6 and name HE1) 4.00 2.50 2.50 !B 0.986644 5 LYS/LYS 5.04 -1.04e+000 0 2 assign (resid 6 and name HA) (resid 6 and name HE2) 4.00 2.50 2.50 !B 0.986644 5 LYS/LYS 4.51 -5.10e-001 0 2 assign (resid 6 and name HA) (resid 7 and name HN) 4.00 2.50 2.50 !T 1.095564 5 LYS/THR 3.59 -5.94e-001 0 0 assign (resid 6 and name HA) (resid 9 and name HN) 4.00 2.50 2.50 !T 1.096436 5 LYS/GLY 4.06 -1.06e+000 0 0 assign (resid 6 and name HA) (resid 9 and name HA1) 4.00 2.50 2.50 !T 1.082894 5 LYS/GLY 4.75 -7.49e-001 0 0 assign (resid 6 and name HA) (resid 10 and name HN) 4.00 2.50 2.50 !T 1.097134 5 LYS/LEU 4.62 -6.17e-001 0 0 assign (resid 6 and name HB2) (resid 7 and name HN) 4.00 2.50 2.50 ! 1.024964 5 LYS/THR 3.41 5.89e-001 0 0 assign (resid 6 and name HB2) (resid 7 and name HA) 4.00 2.50 2.50 !T 1.096490 5 LYS/THR 5.59 -1.59e+000 0 0 assign (resid 6 and name HB1) (resid 6 and name HE1) 4.00 2.50 2.50 !B 0.954677 5 LYS/LYS 3.99 1.19e-002 0 2 assign (resid 6 and name HB1) (resid 6 and name HE2) 4.00 2.50 2.50 !B 0.954677 5 LYS/LYS 4.62 -6.18e-001 0 2 assign (resid 6 and name HB1) (resid 7 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 LYS/THR 5.22 -2.22e+000 0 0 assign (resid 6 and name HB1) (resid 7 and name HG2#) 4.00 2.50 2.50 ! 0.941593 2 LYS/THR 3.43 5.73e-001 0 0 assign (resid 6 and name HB1) (resid 9 and name HA1) 4.00 2.50 2.50 !TISPA 1.000000 5 LYS/GLY 7.08 -3.08e+000 0 0 assign (resid 6 and name HG2) (resid 6 and name HG1) 4.00 2.50 2.50 !F 1.000000 5 LYS/LYS 1.78 2.20e-001 0 0 assign (resid 6 and name HG1) (resid 7 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LYS/THR 4.42 -1.42e+000 0 0 assign (resid 6 and name HD2) (resid 6 and name HE1) 4.00 2.50 1.70 !B 0.921626 5 LYS/LYS 2.48 -4.83e-001 0 2 assign (resid 6 and name HD2) (resid 6 and name HE2) 4.00 1.35 2.50 !B 0.921626 5 LYS/LYS 3.04 -3.59e-002 0 2 assign (resid 6 and name HD1) (resid 6 and name HE1) 4.00 1.35 2.50 !B 1.003740 5 LYS/LYS 3.03 -3.27e-002 0 2 assign (resid 6 and name HD1) (resid 6 and name HE2) 4.00 2.50 1.70 !B 1.003740 5 LYS/LYS 2.46 -4.56e-001 0 2 assign (resid 6 and name HD1) (resid 7 and name HN) 4.00 2.50 2.50 ! 1.076558 5 LYS/THR 4.02 -2.17e-002 0 0 assign (resid 6 and name HD1) (resid 9 and name HN) 4.00 2.50 2.50 !T 1.093328 5 LYS/GLY 5.43 -1.43e+000 0 0 !assign (resid 6 and name HD1) (resid 9 and name HA2) 4.00 2.50 2.50 !TISPA 1.000000 5 LYS/GLY 7.47 -3.47e+000 0 0 assign (resid 6 and name HD1) (resid 10 and name HN) 4.00 2.50 2.50 !T 1.098640 5 LYS/LEU 4.74 -7.43e-001 0 0 assign (resid 6 and name HE1) (resid 10 and name HN) 4.00 2.50 2.50 !TA 1.096501 5 LYS/LEU 7.52 -3.52e+000 2 0 assign (resid 6 and name HE2) (resid 10 and name HN) 4.00 2.50 2.50 !TA 1.096501 5 LYS/LEU 7.10 -3.10e+000 2 0 assign (resid 6 and name HE1) (resid 10 and name HB2) 4.00 2.50 2.50 !TA 1.097499 5 LYS/LEU 5.90 -1.90e+000 2 0 assign (resid 6 and name HE2) (resid 10 and name HB2) 4.00 2.50 2.50 !TA 1.097499 5 LYS/LEU 5.52 -1.52e+000 2 0 assign (resid 7 and name HN) (resid 7 and name HA) 4.00 2.50 2.50 ! 1.096611 5 THR/THR 2.92 8.43e-002 0 0 assign (resid 7 and name HN) (resid 7 and name HB) 4.00 2.50 2.50 !T 1.099750 5 THR/THR 3.64 -6.37e-001 0 0 assign (resid 7 and name HN) (resid 8 and name HN) 4.00 2.50 2.50 ! 1.027985 5 THR/LEU 2.47 -4.66e-001 0 0 assign (resid 7 and name HN) (resid 8 and name HB2) 4.00 2.50 2.50 !T 1.099667 5 THR/LEU 4.36 -3.59e-001 0 0 assign (resid 7 and name HN) (resid 8 and name HB1) 4.00 2.50 2.50 !T 1.097288 5 THR/LEU 5.40 -1.40e+000 0 0 assign (resid 7 and name HN) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 THR/LEU 6.23 -2.23e+000 0 0 assign (resid 7 and name HN) (resid 9 and name HN) 4.00 2.50 2.50 ! 1.091871 5 THR/GLY 4.17 -1.66e-001 0 0 assign (resid 7 and name HA) (resid 7 and name HG2#) 4.00 2.50 2.50 ! 1.060377 2 THR/THR 3.07 -7.03e-002 0 0 assign (resid 7 and name HA) (resid 8 and name HN) 4.00 2.50 2.50 !T 1.093654 5 THR/LEU 3.51 -5.11e-001 0 0 assign (resid 7 and name HA) (resid 8 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 THR/LEU 5.58 -1.58e+000 0 0 !assign (resid 7 and name HA) (resid 8 and name HB1) 4.00 2.50 2.50 !T 1.076512 5 THR/LEU 6.25 -2.25e+000 0 0 assign (resid 7 and name HA) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 THR/LEU 6.62 -2.62e+000 0 0 assign (resid 7 and name HA) (resid 9 and name HN) 4.00 2.50 2.50 !T 1.085902 5 THR/GLY 4.43 -4.28e-001 0 0 assign (resid 7 and name HA) (resid 10 and name HB2) 4.00 2.50 2.50 !T 0.905617 5 THR/LEU 2.47 -4.71e-001 0 0 assign (resid 7 and name HA) (resid 10 and name HD1#) 4.00 2.50 2.50 ! 0.998831 2 THR/LEU 3.98 4.00e-002 0 0 assign (resid 7 and name HA) (resid 11 and name HG2#) 4.00 2.50 2.50 !T 1.096393 2 THR/VAL 5.34 -1.34e+000 0 0 assign (resid 7 and name HB) (resid 8 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 THR/LEU 6.62 -4.62e+000 0 0 !assign (resid 7 and name HB) (resid 9 and name HA1) 4.00 2.50 2.50 !TISPA 1.000000 5 THR/GLY 7.81 -3.81e+000 0 0 !assign (resid 7 and name HB) (resid 9 and name HA2) 4.00 2.50 2.50 !TISPA 1.000000 5 THR/GLY 7.98 -3.98e+000 0 0 assign (resid 7 and name HB) (resid 10 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 THR/LEU 5.13 -2.13e+000 0 0 assign (resid 7 and name HB) (resid 11 and name HN) 4.00 2.50 2.50 !T 1.095025 5 THR/VAL 5.03 -1.03e+000 0 0 assign (resid 7 and name HB) (resid 11 and name HG2#) 4.00 2.50 2.50 ! 1.057444 2 THR/VAL 5.22 -1.22e+000 0 0 assign (resid 7 and name HG2#) (resid 8 and name HB1) 4.00 2.50 2.50 !T 1.091222 2 THR/LEU 7.81 -3.81e+000 0 0 assign (resid 7 and name HG2#) (resid 9 and name HN) 4.00 2.50 2.50 !T 1.091623 2 THR/GLY 6.64 -2.64e+000 0 0 assign (resid 7 and name HG2#) (resid 10 and name HN) 4.00 2.50 2.50 !T 1.088693 2 THR/LEU 6.26 -2.26e+000 0 0 !assign (resid 7 and name HG2#) (resid 10 and name HA) 4.00 2.50 2.50 !T 1.095322 2 THR/LEU 7.94 -3.94e+000 0 0 assign (resid 7 and name HG2#) (resid 10 and name HD1#) 4.00 2.50 2.50 !T 1.093433 2 THR/LEU 5.69 -1.69e+000 0 0 assign (resid 7 and name HG2#) (resid 11 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 THR/VAL 6.92 -3.92e+000 0 0 assign (resid 7 and name HG2#) (resid 11 and name HG2#) 4.00 2.50 2.50 !T 1.097878 2 THR/VAL 7.45 -3.45e+000 0 0 assign (resid 8 and name HN) (resid 8 and name HG) 4.00 2.50 2.50 ! 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1.096024 5 LEU/GLY 3.43 5.66e-001 0 0 assign (resid 8 and name HB2) (resid 11 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/VAL 6.73 -3.73e+000 0 0 assign (resid 8 and name HB1) (resid 8 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 3.03 -1.03e+000 0 0 assign (resid 8 and name HB1) (resid 8 and name HD1#) 4.00 2.50 2.50 ! 1.077743 2 LEU/LEU 3.11 -1.07e-001 0 0 assign (resid 8 and name HG) (resid 8 and name HD2#) 4.00 2.50 2.50 !F 1.000000 2 LEU/LEU 2.82 1.79e-001 0 0 assign (resid 8 and name HG) (resid 9 and name HN) 4.00 2.50 2.50 !T 1.079691 5 LEU/GLY 5.06 -1.06e+000 0 0 assign (resid 8 and name HG) (resid 11 and name HG2#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/VAL 7.32 -3.32e+000 0 0 assign (resid 8 and name HD1#) (resid 9 and name HN) 4.00 2.50 2.50 !T 1.093582 2 LEU/GLY 5.84 -1.84e+000 0 0 !assign (resid 8 and name HD1#) (resid 9 and name HA1) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/GLY 7.37 -4.37e+000 0 0 assign (resid 9 and name HN) (resid 9 and name HA1) 4.00 2.50 2.50 ! 1.042699 5 GLY/GLY 2.37 -3.66e-001 0 0 assign (resid 9 and name HN) (resid 9 and name HA2) 4.00 2.50 2.50 ! 1.085396 5 GLY/GLY 2.92 8.08e-002 0 0 assign (resid 9 and name HN) (resid 10 and name HN) 4.00 2.50 2.50 ! 1.016587 5 GLY/LEU 2.44 -4.44e-001 0 0 assign (resid 9 and name HN) (resid 10 and name HA) 4.00 2.50 2.50 !T 1.098657 5 GLY/LEU 5.04 -1.04e+000 0 0 assign (resid 9 and name HN) (resid 10 and name HB2) 4.00 2.50 2.50 ! 1.055769 5 GLY/LEU 4.40 -3.97e-001 0 0 assign (resid 9 and name HN) (resid 11 and name HN) 4.00 2.50 2.50 !T 1.095103 5 GLY/VAL 5.11 -1.11e+000 0 0 assign (resid 9 and name HN) (resid 11 and name HB) 4.00 2.50 2.50 !T 1.098887 5 GLY/VAL 6.42 -2.42e+000 0 0 assign (resid 9 and name HN) (resid 12 and name HN) 4.00 2.50 2.50 !T 1.094628 5 GLY/LEU 4.97 -9.69e-001 0 0 assign (resid 9 and name HN) (resid 12 and name HB2) 4.00 2.50 2.50 !T 1.093646 5 GLY/LEU 4.90 -9.02e-001 0 0 assign (resid 9 and name HN) (resid 12 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 GLY/LEU 5.35 -2.35e+000 0 0 assign (resid 9 and name HN) (resid 12 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 GLY/LEU 7.28 -4.28e+000 0 0 assign (resid 9 and name HN) (resid 12 and name HD2#) 4.00 2.50 2.50 !T 1.091140 2 GLY/LEU 6.53 -2.53e+000 0 0 assign (resid 9 and name HA1) (resid 9 and name HA2) 4.00 2.50 2.50 !F 1.000000 5 GLY/GLY 1.78 2.20e-001 0 0 assign (resid 9 and name HA1) (resid 10 and name HN) 4.00 2.50 2.50 ! 1.058428 5 GLY/LEU 3.12 -1.24e-001 0 0 assign (resid 9 and name HA1) (resid 10 and name HB2) 4.00 2.50 2.50 !T 1.072783 5 GLY/LEU 5.03 -1.03e+000 0 0 assign (resid 9 and name HA1) (resid 10 and name HB1) 4.00 2.50 2.50 !T 1.095720 5 GLY/LEU 5.88 -1.88e+000 0 0 assign (resid 9 and name HA1) (resid 11 and name HN) 4.00 2.50 2.50 !T 1.095051 5 GLY/VAL 5.75 -1.75e+000 0 0 assign (resid 9 and name HA1) (resid 12 and name HN) 4.00 2.50 2.50 ! 1.095531 5 GLY/LEU 4.73 -7.32e-001 0 0 assign (resid 9 and name HA1) (resid 12 and name HB2) 4.00 2.50 2.50 ! 1.079219 5 GLY/LEU 4.35 -3.52e-001 0 0 assign (resid 9 and name HA1) (resid 12 and name HB1) 4.00 2.50 2.50 ! 1.041569 5 GLY/LEU 4.04 -4.31e-002 0 0 assign (resid 9 and name HA1) (resid 12 and name HD1#) 4.00 2.50 2.50 !T 1.078133 2 GLY/LEU 6.77 -2.77e+000 0 0 assign (resid 9 and name HA1) (resid 12 and name HD2#) 4.00 2.50 2.50 ! 0.980132 2 GLY/LEU 5.10 -1.10e+000 0 0 assign (resid 9 and name HA1) (resid 13 and name HB#) 4.00 2.50 2.50 !T 1.080639 2 GLY/ALA 6.59 -2.59e+000 0 0 assign (resid 9 and name HA2) (resid 10 and name HN) 4.00 2.50 2.50 ! 1.087980 5 GLY/LEU 3.43 5.71e-001 0 0 assign (resid 9 and name HA2) (resid 10 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 GLY/LEU 5.63 -1.63e+000 0 0 assign (resid 9 and name HA2) (resid 11 and name HN) 4.00 2.50 2.50 !T 1.081793 5 GLY/VAL 5.28 -1.28e+000 0 0 assign (resid 9 and name HA2) (resid 11 and name HB) 4.00 2.50 2.50 !T 1.095219 5 GLY/VAL 6.10 -2.10e+000 0 0 assign (resid 9 and name HA2) (resid 12 and name HB1) 4.00 2.50 2.50 ! 0.960552 5 GLY/LEU 2.65 -6.48e-001 0 0 assign (resid 9 and name HA2) (resid 12 and name HD1#) 4.00 2.50 2.50 !T 1.099496 2 GLY/LEU 5.02 -1.02e+000 0 0 assign (resid 9 and name HA2) (resid 13 and name HN) 4.00 2.50 2.50 ! 1.037097 5 GLY/ALA 4.14 -1.39e-001 0 0 assign (resid 10 and name HN) (resid 10 and name HA) 4.00 2.50 2.50 ! 1.079662 5 LEU/LEU 2.88 1.16e-001 0 0 assign (resid 10 and name HN) (resid 10 and name HB2) 4.00 2.50 2.50 ! 1.004209 5 LEU/LEU 2.30 -3.05e-001 0 0 assign (resid 10 and name HN) (resid 11 and name HN) 4.00 2.50 2.50 !T 1.097249 5 LEU/VAL 3.03 -3.30e-002 0 0 assign (resid 10 and name HN) (resid 11 and name HA) 4.00 2.50 2.50 !T 1.094173 5 LEU/VAL 5.51 -1.51e+000 0 0 assign (resid 10 and name HN) (resid 11 and name HB) 4.00 2.50 2.50 !T 1.091806 5 LEU/VAL 5.05 -1.05e+000 0 0 !assign (resid 10 and name HN) (resid 11 and name HG1#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/VAL 7.35 -3.35e+000 0 0 assign (resid 10 and name HN) (resid 11 and name HG2#) 4.00 2.50 2.50 !T 1.098110 2 LEU/VAL 5.45 -1.45e+000 0 0 assign (resid 10 and name HN) (resid 12 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 4.72 -2.72e+000 0 0 assign (resid 10 and name HN) (resid 14 and name HG2#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/VAL 6.72 -3.72e+000 0 0 assign (resid 10 and name HA) (resid 11 and name HN) 4.00 2.50 2.50 ! 1.069630 5 LEU/VAL 3.57 4.25e-001 0 0 assign (resid 10 and name HA) (resid 11 and name HB) 4.00 2.50 2.50 !T 1.081748 5 LEU/VAL 5.93 -1.93e+000 0 0 assign (resid 10 and name HA) (resid 11 and name HG2#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/VAL 5.98 -2.98e+000 0 0 assign (resid 10 and name HA) (resid 12 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 5.69 -3.69e+000 0 0 assign (resid 10 and name HA) (resid 13 and name HN) 4.00 2.50 2.50 !T 1.093337 5 LEU/ALA 4.20 -2.20e+000 0 0 assign (resid 10 and name HA) (resid 13 and name HB#) 4.00 2.50 2.50 !T 1.095811 2 LEU/ALA 5.12 -1.12e+000 0 0 assign (resid 10 and name HA) (resid 14 and name HN) 4.00 2.50 2.50 !T 1.092631 5 LEU/VAL 4.44 -4.36e-001 0 0 assign (resid 10 and name HB2) (resid 10 and name HB1) 4.00 2.50 2.50 !F 1.000000 5 LEU/LEU 1.78 2.20e-001 0 0 !assign (resid 10 and name HB2) (resid 13 and name HB#) 4.00 2.50 2.50 !T 1.099930 2 LEU/ALA 7.77 -3.77e+000 0 0 assign (resid 10 and name HB1) (resid 13 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ALA 6.14 -3.14e+000 0 0 assign (resid 10 and name HB1) (resid 14 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/VAL 7.68 -3.68e+000 0 0 assign (resid 10 and name HB1) (resid 15 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 7.81 -3.81e+000 0 0 !assign (resid 10 and name HD1#) (resid 11 and name HA) 4.00 2.50 2.50 ! 1.055337 2 LEU/VAL 5.91 -1.91e+000 0 0 assign (resid 10 and name HD1#) (resid 14 and name HG2#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/VAL 5.90 -3.90e+000 0 0 assign (resid 11 and name HN) (resid 11 and name HA) 4.00 2.50 2.50 ! 1.071497 5 VAL/VAL 2.81 1.92e-001 0 0 assign (resid 11 and name HN) (resid 11 and name HB) 4.00 2.50 2.50 ! 1.058362 5 VAL/VAL 2.64 -6.44e-001 0 0 assign (resid 11 and name HN) (resid 11 and name HG1#) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/VAL 4.64 -2.64e+000 0 0 assign (resid 11 and name HN) (resid 12 and name HN) 4.00 2.50 2.50 ! 1.079884 5 VAL/LEU 2.80 1.97e-001 0 0 assign (resid 11 and name HN) (resid 12 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/LEU 4.98 -1.98e+000 0 0 assign (resid 11 and name HN) (resid 12 and name HB1) 4.00 2.50 2.50 !T 1.089022 5 VAL/LEU 5.34 -1.34e+000 0 0 !assign (resid 11 and name HN) (resid 12 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/LEU 7.45 -3.45e+000 0 0 assign (resid 11 and name HN) (resid 13 and name HB#) 4.00 2.50 2.50 !T 1.093940 2 VAL/ALA 7.30 -3.30e+000 0 0 assign (resid 11 and name HN) (resid 14 and name HG2#) 4.00 2.50 2.50 !T 1.099175 2 VAL/VAL 4.90 -9.01e-001 0 0 assign (resid 11 and name HN) (resid 15 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/LEU 7.70 -4.70e+000 0 0 assign (resid 11 and name HA) (resid 11 and name HB) 4.00 2.50 2.50 ! 1.053000 5 VAL/VAL 3.03 -2.96e-002 0 0 assign (resid 11 and name HA) (resid 11 and name HG1#) 4.00 2.50 2.50 ! 1.057505 2 VAL/VAL 2.99 1.46e-002 0 0 assign (resid 11 and name HA) (resid 12 and name HB2) 4.00 2.50 2.50 !T 1.094438 5 VAL/LEU 5.76 -1.76e+000 0 0 assign (resid 11 and name HA) (resid 13 and name HN) 4.00 2.50 2.50 !T 1.092391 5 VAL/ALA 5.02 -1.02e+000 0 0 assign (resid 11 and name HA) (resid 13 and name HB#) 4.00 2.50 2.50 !T 1.094463 2 VAL/ALA 6.72 -2.72e+000 0 0 assign (resid 11 and name HA) (resid 14 and name HN) 4.00 2.50 2.50 ! 1.059176 5 VAL/VAL 3.66 3.36e-001 0 0 assign (resid 11 and name HA) (resid 14 and name HB) 4.00 2.50 2.50 ! 0.961779 5 VAL/VAL 2.33 -3.27e-001 0 0 assign (resid 11 and name HA) (resid 14 and name HG2#) 4.00 2.50 2.50 ! 1.055248 2 VAL/VAL 3.08 -8.37e-002 0 0 assign (resid 11 and name HA) (resid 15 and name HN) 4.00 2.50 2.50 ! 1.038349 5 VAL/LEU 4.14 -1.37e-001 0 0 assign (resid 11 and name HA) (resid 15 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/LEU 7.30 -4.30e+000 0 0 assign (resid 11 and name HA) (resid 15 and name HD2#) 4.00 2.50 2.50 !T 1.093282 2 VAL/LEU 5.77 -1.77e+000 0 0 assign (resid 11 and name HB) (resid 12 and name HA) 4.00 2.50 2.50 ! 1.063025 5 VAL/LEU 4.28 -2.78e-001 0 0 assign (resid 11 and name HB) (resid 12 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/LEU 5.65 -1.65e+000 0 0 assign (resid 11 and name HB) (resid 13 and name HN) 4.00 2.50 2.50 !T 1.098361 5 VAL/ALA 5.93 -1.93e+000 0 0 assign (resid 11 and name HB) (resid 14 and name HG2#) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/VAL 6.08 -4.08e+000 0 0 assign (resid 11 and name HG1#) (resid 14 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/VAL 5.92 -2.92e+000 0 0 assign (resid 11 and name HG1#) (resid 14 and name HG2#) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/VAL 5.76 -3.76e+000 0 0 assign (resid 11 and name HG1#) (resid 15 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/LEU 6.92 -4.92e+000 0 0 assign (resid 11 and name HG1#) (resid 15 and name HD1#) 4.00 2.50 2.50 !T 1.097083 2 VAL/LEU 5.56 -1.56e+000 0 0 assign (resid 11 and name HG1#) (resid 15 and name HD2#) 4.00 2.50 2.50 ! 1.033819 2 VAL/LEU 4.88 -8.85e-001 0 0 !assign (resid 11 and name HG1#) (resid 19 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/TRP 7.93 -4.93e+000 0 0 assign (resid 12 and name HN) (resid 13 and name HN) 4.00 2.50 2.50 ! 1.058118 5 LEU/ALA 3.01 -7.08e-003 0 0 assign (resid 12 and name HN) (resid 13 and name HB#) 4.00 2.50 2.50 !T 1.092851 2 LEU/ALA 5.67 -1.67e+000 0 0 assign (resid 12 and name HN) (resid 14 and name HN) 4.00 2.50 2.50 ! 1.079819 5 LEU/VAL 3.99 1.13e-002 0 0 !assign (resid 12 and name HA) (resid 17 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ILE 7.20 -3.20e+000 0 0 assign (resid 12 and name HB2) (resid 13 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ALA 5.58 -3.58e+000 0 0 assign (resid 12 and name HB2) (resid 13 and name HB#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/ALA 6.20 -4.20e+000 0 0 assign (resid 12 and name HB2) (resid 14 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/VAL 5.56 -1.56e+000 0 0 assign (resid 12 and name HB2) (resid 15 and name HD2#) 4.00 2.50 2.50 !T 1.099394 2 LEU/LEU 6.08 -2.08e+000 0 0 assign (resid 12 and name HB2) (resid 16 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 6.64 -2.64e+000 0 0 assign (resid 12 and name HB1) (resid 16 and name HG) 4.00 2.50 2.50 !T 1.079002 5 LEU/LEU 6.68 -2.68e+000 0 0 assign (resid 12 and name HB1) (resid 16 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/LEU 5.79 -3.79e+000 0 0 assign (resid 13 and name HN) (resid 13 and name HA) 4.00 2.50 2.50 !T 1.095568 5 ALA/ALA 2.85 1.51e-001 0 0 assign (resid 13 and name HN) (resid 13 and name HB#) 4.00 2.50 2.50 ! 1.045643 2 ALA/ALA 2.94 6.42e-002 0 0 assign (resid 13 and name HN) (resid 14 and name HN) 4.00 2.50 2.50 ! 1.048377 5 ALA/VAL 2.73 2.73e-001 0 0 assign (resid 13 and name HN) (resid 14 and name HA) 4.00 2.50 2.50 !T 1.095525 5 ALA/VAL 5.33 -1.33e+000 0 0 assign (resid 13 and name HN) (resid 14 and name HB) 4.00 2.50 2.50 !T 1.090516 5 ALA/VAL 4.84 -8.42e-001 0 0 assign (resid 13 and name HN) (resid 14 and name HG1#) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/VAL 7.21 -3.21e+000 0 0 assign (resid 13 and name HN) (resid 14 and name HG2#) 4.00 2.50 2.50 !T 1.098181 2 ALA/VAL 5.14 -1.14e+000 0 0 assign (resid 13 and name HN) (resid 15 and name HN) 4.00 2.50 2.50 !T 1.098194 5 ALA/LEU 4.89 -8.94e-001 0 0 assign (resid 13 and name HN) (resid 15 and name HD2#) 4.00 2.50 2.50 ! 1.049899 2 ALA/LEU 5.83 -1.83e+000 0 0 assign (resid 13 and name HN) (resid 16 and name HN) 4.00 2.50 2.50 !T 1.095223 5 ALA/LEU 4.77 -7.68e-001 0 0 assign (resid 13 and name HN) (resid 16 and name HB2) 4.00 2.50 2.50 !T 1.088092 5 ALA/LEU 4.46 -4.58e-001 0 0 assign (resid 13 and name HN) (resid 16 and name HD1#) 4.00 2.50 2.50 !T 1.078070 2 ALA/LEU 5.83 -1.83e+000 0 0 assign (resid 13 and name HA) (resid 13 and name HB#) 4.00 2.50 2.50 ! 1.068742 2 ALA/ALA 2.82 1.81e-001 0 0 assign (resid 13 and name HA) (resid 14 and name HN) 4.00 2.50 2.50 !T 1.095960 5 ALA/VAL 3.55 4.54e-001 0 0 assign (resid 13 and name HA) (resid 16 and name HN) 4.00 2.50 2.50 ! 1.097432 5 ALA/LEU 3.16 -1.62e-001 0 0 assign (resid 13 and name HA) (resid 16 and name HB2) 4.00 2.50 2.50 ! 1.077621 5 ALA/LEU 2.33 -3.31e-001 0 0 assign (resid 13 and name HA) (resid 16 and name HD2#) 4.00 2.50 2.50 ! 0.967772 2 ALA/LEU 5.61 -1.61e+000 0 0 assign (resid 13 and name HA) (resid 17 and name HB) 4.00 2.50 2.50 !T 1.092978 5 ALA/ILE 5.33 -1.33e+000 0 0 !assign (resid 13 and name HA) (resid 17 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/ILE 7.69 -5.69e+000 0 0 !assign (resid 13 and name HA) (resid 19 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/TRP 7.58 -4.58e+000 0 0 !assign (resid 13 and name HA) (resid 19 and name HD1) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/TRP 6.97 -3.97e+000 0 0 !assign (resid 13 and name HA) (resid 19 and name HE1) 4.00 2.50 2.50 !T 1.097973 5 ALA/TRP 7.22 -3.22e+000 0 0 assign (resid 13 and name HB#) (resid 14 and name HN) 4.00 2.50 2.50 ! 1.025421 2 ALA/VAL 3.26 -2.57e-001 0 0 assign (resid 13 and name HB#) (resid 14 and name HA) 4.00 2.50 2.50 ! 1.092010 2 ALA/VAL 4.72 -7.16e-001 0 0 assign (resid 13 and name HB#) (resid 14 and name HB) 4.00 2.50 2.50 !T 1.092933 2 ALA/VAL 5.84 -1.84e+000 0 0 !assign (resid 13 and name HB#) (resid 14 and name HG1#) 4.00 2.50 2.50 !T 1.096576 2 ALA/VAL 7.49 -3.49e+000 0 0 assign (resid 13 and name HB#) (resid 15 and name HN) 4.00 2.50 2.50 !T 1.095451 2 ALA/LEU 5.96 -1.96e+000 0 0 !assign (resid 13 and name HB#) (resid 15 and name HD2#) 4.00 2.50 2.50 !T 1.089518 2 ALA/LEU 7.43 -3.43e+000 0 0 assign (resid 13 and name HB#) (resid 16 and name HN) 4.00 2.50 2.50 !T 1.095916 2 ALA/LEU 5.30 -1.30e+000 0 0 assign (resid 13 and name HB#) (resid 16 and name HB2) 4.00 2.50 2.50 ! 1.073312 2 ALA/LEU 4.97 -9.65e-001 0 0 !assign (resid 13 and name HB#) (resid 16 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/LEU 7.79 -4.79e+000 0 0 assign (resid 13 and name HB#) (resid 17 and name HN) 4.00 2.50 2.50 !T 1.096959 2 ALA/ILE 6.55 -2.55e+000 0 0 assign (resid 13 and name HB#) (resid 17 and name HB) 4.00 2.50 2.50 !T 1.083102 2 ALA/ILE 6.21 -2.21e+000 0 0 !assign (resid 13 and name HB#) (resid 17 and name HG2#) 4.00 2.50 2.50 !T 1.096581 2 ALA/ILE 6.75 -2.75e+000 0 0 assign (resid 14 and name HN) (resid 14 and name HA) 4.00 2.50 2.50 ! 1.026484 5 VAL/VAL 2.74 2.60e-001 0 0 assign (resid 14 and name HN) (resid 14 and name HB) 4.00 2.50 2.50 ! 1.033993 5 VAL/VAL 2.56 -5.63e-001 0 0 assign (resid 14 and name HN) (resid 14 and name HG2#) 4.00 2.50 2.50 ! 0.945145 2 VAL/VAL 2.69 -6.92e-001 0 0 assign (resid 14 and name HN) (resid 15 and name HN) 4.00 2.50 2.50 !T 1.097088 5 VAL/LEU 3.24 -2.37e-001 0 0 assign (resid 14 and name HN) (resid 15 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/LEU 5.54 -1.54e+000 0 0 assign (resid 14 and name HN) (resid 15 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/LEU 7.00 -4.00e+000 0 0 assign (resid 14 and name HN) (resid 15 and name HD2#) 4.00 2.50 2.50 ! 1.053471 2 VAL/LEU 5.36 -1.36e+000 0 0 assign (resid 14 and name HN) (resid 16 and name HB2) 4.00 2.50 2.50 !T 1.097888 5 VAL/LEU 4.96 -9.61e-001 0 0 assign (resid 14 and name HN) (resid 16 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/LEU 7.30 -3.30e+000 0 0 assign (resid 14 and name HN) (resid 17 and name HB) 4.00 2.50 2.50 !T 1.091762 5 VAL/ILE 6.85 -2.85e+000 0 0 assign (resid 14 and name HA) (resid 14 and name HG1#) 4.00 2.50 2.50 ! 1.057531 2 VAL/VAL 3.12 -2.20e-001 0 0 assign (resid 14 and name HA) (resid 14 and name HG2#) 4.00 2.50 2.50 ! 1.035807 2 VAL/VAL 3.04 -3.75e-002 0 0 assign (resid 14 and name HA) (resid 15 and name HN) 4.00 2.50 2.50 ! 1.069837 5 VAL/LEU 3.62 3.79e-001 0 0 assign (resid 14 and name HA) (resid 15 and name HD2#) 4.00 2.50 2.50 !T 1.094843 2 VAL/LEU 6.35 -2.35e+000 0 0 assign (resid 14 and name HA) (resid 16 and name HN) 4.00 2.50 2.50 !T 1.092698 5 VAL/LEU 4.45 -4.50e-001 0 0 assign (resid 14 and name HA) (resid 16 and name HB2) 4.00 2.50 2.50 !T 1.094549 5 VAL/LEU 6.07 -2.07e+000 0 0 assign (resid 14 and name HA) (resid 17 and name HN) 4.00 2.50 2.50 !T 1.094092 5 VAL/ILE 4.82 -8.21e-001 0 0 assign (resid 14 and name HA) (resid 17 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/ILE 5.69 -2.69e+000 0 0 assign (resid 14 and name HA) (resid 17 and name HG11) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/ILE 7.60 -3.60e+000 0 0 assign (resid 14 and name HA) (resid 17 and name HG2#) 4.00 2.50 2.50 !T 1.086729 2 VAL/ILE 4.44 -4.40e-001 0 0 assign (resid 14 and name HA) (resid 18 and name HN) 4.00 2.50 2.50 !T 1.099155 5 VAL/CYS 5.55 -1.55e+000 0 0 assign (resid 14 and name HA) (resid 18 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/CYS 6.44 -3.44e+000 0 0 !assign (resid 14 and name HA) (resid 19 and name HN) 4.00 2.50 2.50 !T 1.089829 5 VAL/TRP 7.15 -3.15e+000 0 0 assign (resid 14 and name HB) (resid 14 and name HG1#) 4.00 2.50 2.50 !F 1.000000 2 VAL/VAL 2.82 1.82e-001 0 0 assign (resid 14 and name HB) (resid 14 and name HG2#) 4.00 2.50 2.50 !F 1.000000 2 VAL/VAL 2.82 1.82e-001 0 0 assign (resid 14 and name HB) (resid 15 and name HN) 4.00 2.50 2.50 ! 0.970345 5 VAL/LEU 2.34 -3.39e-001 0 0 assign (resid 14 and name HB) (resid 15 and name HD2#) 4.00 2.50 2.50 ! 1.026596 2 VAL/LEU 4.85 -8.53e-001 0 0 assign (resid 14 and name HG1#) (resid 14 and name HG2#) 4.00 2.50 2.50 !F 1.000000 2 VAL/VAL 3.40 6.03e-001 0 0 assign (resid 14 and name HG1#) (resid 15 and name HN) 4.00 2.50 2.50 ! 1.009662 2 VAL/LEU 3.70 4.00e-001 0 0 assign (resid 14 and name HG1#) (resid 16 and name HN) 4.00 2.50 2.50 !T 1.086362 2 VAL/LEU 5.76 -1.76e+000 0 0 !assign (resid 14 and name HG1#) (resid 16 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/LEU 7.84 -3.84e+000 0 0 assign (resid 14 and name HG1#) (resid 17 and name HN) 4.00 2.50 2.50 !T 1.094638 2 VAL/ILE 6.13 -2.13e+000 0 0 assign (resid 14 and name HG1#) (resid 17 and name HB) 4.00 2.50 2.50 !T 1.091084 2 VAL/ILE 7.92 -3.92e+000 0 0 assign (resid 14 and name HG1#) (resid 18 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/CYS 7.43 -4.43e+000 0 0 assign (resid 14 and name HG1#) (resid 18 and name HB2) 4.00 2.50 2.50 ! 0.955886 2 VAL/CYS 4.48 -4.81e-001 0 0 assign (resid 14 and name HG1#) (resid 18 and name HB1) 4.00 2.50 2.50 ! 1.063297 2 VAL/CYS 5.46 -1.46e+000 0 0 assign (resid 14 and name HG2#) (resid 18 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/CYS 7.07 -3.07e+000 0 0 assign (resid 15 and name HN) (resid 15 and name HA) 4.00 2.50 2.50 !T 1.095405 5 LEU/LEU 2.96 3.99e-002 0 0 assign (resid 15 and name HN) (resid 15 and name HB1) 4.00 2.50 2.50 ! 1.019018 5 LEU/LEU 2.40 -3.95e-001 0 0 assign (resid 15 and name HN) (resid 15 and name HG) 4.00 2.50 2.50 !T 1.097654 5 LEU/LEU 4.01 -1.01e+000 0 0 assign (resid 15 and name HN) (resid 16 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 4.43 -1.43e+000 0 0 !assign (resid 15 and name HN) (resid 16 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/LEU 7.29 -4.29e+000 0 0 !assign (resid 15 and name HN) (resid 16 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/LEU 7.68 -4.68e+000 0 0 assign (resid 15 and name HN) (resid 17 and name HB) 4.00 2.50 2.50 !T 1.092710 5 LEU/ILE 6.53 -2.53e+000 0 0 assign (resid 15 and name HN) (resid 18 and name HB1) 4.00 2.50 2.50 ! 1.065669 5 LEU/CYS 6.07 -2.07e+000 0 0 assign (resid 15 and name HN) (resid 19 and name HD1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/TRP 6.64 -2.64e+000 0 0 assign (resid 15 and name HA) (resid 15 and name HG) 4.00 2.50 2.50 !T 1.099956 5 LEU/LEU 3.45 -4.48e-001 0 0 assign (resid 15 and name HA) (resid 15 and name HD2#) 4.00 2.50 2.50 !T 1.098129 2 LEU/LEU 4.36 -1.36e+000 0 0 assign (resid 15 and name HA) (resid 18 and name HB1) 4.00 2.50 2.50 ! 0.928949 5 LEU/CYS 3.39 6.09e-001 0 0 assign (resid 15 and name HA) (resid 19 and name HB2) 4.00 2.50 2.50 !T 1.090992 5 LEU/TRP 5.85 -1.85e+000 0 0 assign (resid 15 and name HA) (resid 19 and name HE3) 4.00 2.50 2.50 !T 1.096330 5 LEU/TRP 5.39 -1.39e+000 0 0 !assign (resid 15 and name HA) (resid 19 and name HZ2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/TRP 6.77 -2.77e+000 0 0 assign (resid 15 and name HA) (resid 20 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/PHE 6.23 -2.23e+000 0 0 assign (resid 15 and name HB2) (resid 17 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ILE 4.62 -1.62e+000 0 0 assign (resid 15 and name HB2) (resid 18 and name HA) 4.00 2.50 2.50 !T 1.049582 5 LEU/CYS 5.13 -1.13e+000 0 0 assign (resid 15 and name HB2) (resid 19 and name HE3) 4.00 2.50 2.50 !T 1.057268 5 LEU/TRP 5.24 -1.24e+000 0 0 !assign (resid 15 and name HB2) (resid 20 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/PHE 7.71 -4.71e+000 0 0 assign (resid 15 and name HB1) (resid 15 and name HG) 4.00 2.50 2.50 ! 1.053244 5 LEU/LEU 3.04 -4.19e-002 0 0 assign (resid 15 and name HB1) (resid 15 and name HD1#) 4.00 2.50 2.50 ! 1.099988 2 LEU/LEU 3.17 -1.68e-001 0 0 assign (resid 15 and name HB1) (resid 15 and name HD2#) 4.00 2.50 2.50 ! 1.055562 2 LEU/LEU 3.12 -1.21e-001 0 0 assign (resid 15 and name HB1) (resid 16 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 4.05 -1.05e+000 0 0 !assign (resid 15 and name HB1) (resid 16 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 7.05 -4.05e+000 0 0 assign (resid 15 and name HB1) (resid 17 and name HN) 4.00 2.50 2.50 !T 1.093007 5 LEU/ILE 4.99 -9.92e-001 0 0 !assign (resid 15 and name HB1) (resid 17 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ILE 7.90 -3.90e+000 0 0 !assign (resid 15 and name HB1) (resid 18 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/CYS 6.51 -3.51e+000 0 0 !assign (resid 15 and name HB1) (resid 18 and name HG) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/CYS 7.30 -3.30e+000 0 0 assign (resid 15 and name HB1) (resid 19 and name HD1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/TRP 6.58 -2.58e+000 0 0 !assign (resid 15 and name HB1) (resid 19 and name HE3) 4.00 2.50 2.50 !T 1.097037 5 LEU/TRP 6.94 -2.94e+000 0 0 assign (resid 15 and name HG) (resid 15 and name HD2#) 4.00 2.50 2.50 !F 1.000000 2 LEU/LEU 2.82 1.76e-001 0 0 assign (resid 15 and name HG) (resid 16 and name HN) 4.00 2.50 2.50 !T 1.091547 5 LEU/LEU 3.70 -6.98e-001 0 0 assign (resid 15 and name HG) (resid 16 and name HA) 4.00 2.50 2.50 ! 1.038196 5 LEU/LEU 3.24 -2.42e-001 0 0 assign (resid 15 and name HG) (resid 16 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 4.93 -2.93e+000 0 0 assign (resid 15 and name HG) (resid 16 and name HG) 4.00 2.50 2.50 !T 1.075019 5 LEU/LEU 4.96 -9.55e-001 0 0 assign (resid 15 and name HG) (resid 17 and name HN) 4.00 2.50 2.50 ! 1.027681 5 LEU/ILE 4.32 -3.19e-001 0 0 !assign (resid 15 and name HG) (resid 17 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ILE 7.28 -3.28e+000 0 0 assign (resid 15 and name HG) (resid 18 and name HN) 4.00 2.50 2.50 ! 0.998200 5 LEU/CYS 4.00 2.37e-003 0 0 !assign (resid 15 and name HG) (resid 20 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/PHE 6.57 -3.57e+000 0 0 !assign (resid 15 and name HD1#) (resid 16 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/LEU 6.93 -4.93e+000 0 0 !assign (resid 15 and name HD1#) (resid 16 and name HG) 4.00 2.50 2.50 !T 1.094583 2 LEU/LEU 6.90 -2.90e+000 0 0 !assign (resid 15 and name HD1#) (resid 18 and name HB2) 4.00 2.50 2.50 !T 1.091285 2 LEU/CYS 6.78 -2.78e+000 0 0 !assign (resid 15 and name HD1#) (resid 18 and name HB1) 4.00 2.50 2.50 !T 1.099769 2 LEU/CYS 6.97 -2.97e+000 0 0 assign (resid 15 and name HD1#) (resid 19 and name HA) 4.00 2.50 2.50 !T 0.908328 2 LEU/TRP 2.95 4.68e-002 0 0 assign (resid 15 and name HD1#) (resid 19 and name HB2) 4.00 2.50 2.50 ! 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1.008808 5 CYS/CYS 2.80 4.00e-001 0 0 assign (resid 18 and name HB2) (resid 19 and name HN) 4.00 2.50 2.50 ! 1.045187 5 CYS/TRP 3.72 2.81e-001 0 0 assign (resid 18 and name HB2) (resid 19 and name HA) 4.00 2.50 2.50 ! 1.042632 5 CYS/TRP 5.03 -1.03e+000 0 0 !assign (resid 18 and name HB2) (resid 19 and name HD1) 4.00 2.50 2.50 !T 1.093137 5 CYS/TRP 6.85 -2.85e+000 0 0 !assign (resid 18 and name HB2) (resid 19 and name HE1) 4.00 2.50 2.50 !T 1.099965 5 CYS/TRP 6.69 -2.69e+000 0 0 assign (resid 18 and name HB2) (resid 19 and name HH2) 4.00 2.50 2.50 !TISPA 1.000000 5 CYS/TRP 6.29 -2.29e+000 0 0 assign (resid 18 and name HB1) (resid 18 and name HG) 4.00 2.50 2.50 ! 0.979191 5 CYS/CYS 3.09 -9.50e-002 0 0 assign (resid 18 and name HB1) (resid 19 and name HN) 4.00 2.50 2.50 !T 1.099220 5 CYS/TRP 4.17 -1.65e-001 0 0 !assign (resid 18 and name HB1) (resid 19 and name HD1) 4.00 2.50 2.50 !TISPA 1.000000 5 CYS/TRP 7.61 -3.61e+000 0 0 !assign (resid 18 and name HB1) (resid 19 and name HE1) 4.00 2.50 2.50 !T 1.084362 5 CYS/TRP 7.55 -3.55e+000 0 0 assign (resid 18 and name HB1) (resid 20 and name HN) 4.00 2.50 2.50 !T 1.098822 5 CYS/PHE 6.50 -2.50e+000 0 0 !assign (resid 18 and name HB1) (resid 22 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 CYS/VAL 8.00 -5.00e+000 0 0 assign (resid 18 and name HB1) (resid 23 and name HB1) 4.00 2.50 2.50 !TB 1.094941 5 CYS/LEU 6.96 -2.96e+000 0 2 !assign (resid 18 and name HB1) (resid 23 and name HB2) 4.00 2.50 2.50 !TB 1.094941 5 CYS/LEU 8.59 -4.59e+000 0 2 assign (resid 19 and name HN) (resid 19 and name HA) 4.00 2.50 2.50 ! 1.051810 5 TRP/TRP 2.70 2.99e-001 0 0 assign (resid 19 and name HN) (resid 19 and name HB2) 4.00 2.50 2.50 !T 1.098439 5 TRP/TRP 3.47 -4.70e-001 0 0 assign (resid 19 and name HN) (resid 19 and name HB1) 4.00 2.50 2.50 ! 1.077093 5 TRP/TRP 3.02 -2.11e-002 0 0 assign (resid 19 and name HN) (resid 19 and name HD1) 4.00 2.50 2.50 !T 1.097800 5 TRP/TRP 3.48 5.19e-001 0 0 assign (resid 19 and name HN) (resid 19 and name HE1) 4.00 2.50 2.50 ! 1.013716 5 TRP/TRP 3.93 6.70e-002 0 0 assign (resid 19 and name HN) (resid 20 and name HN) 4.00 2.50 2.50 !T 1.093376 5 TRP/PHE 3.64 -6.42e-001 0 0 assign (resid 19 and name HN) (resid 20 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/PHE 5.48 -2.48e+000 0 0 !assign (resid 19 and name HN) (resid 20 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/PHE 6.89 -2.89e+000 0 0 assign (resid 19 and name HA) (resid 19 and name HB2) 4.00 2.50 2.50 ! 0.966867 5 TRP/TRP 2.82 1.85e-001 0 0 assign (resid 19 and name HA) (resid 19 and name HB1) 4.00 2.50 2.50 ! 0.924198 5 TRP/TRP 2.28 -2.84e-001 0 0 assign (resid 19 and name HA) (resid 19 and name HE1) 4.00 2.50 2.50 !T 1.095431 5 TRP/TRP 6.01 -2.01e+000 0 0 assign (resid 19 and name HA) (resid 19 and name HE3) 4.00 2.50 2.50 !T 1.094775 5 TRP/TRP 3.79 -7.95e-001 0 0 assign (resid 19 and name HA) (resid 19 and name HZ3) 4.00 2.50 2.50 !T 1.086502 5 TRP/TRP 5.98 -1.98e+000 0 0 !assign (resid 19 and name HA) (resid 19 and name HH2) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/TRP 7.42 -4.42e+000 0 0 assign (resid 19 and name HA) (resid 20 and name HN) 4.00 2.50 2.50 ! 1.040478 5 TRP/PHE 3.39 6.09e-001 0 0 !assign (resid 19 and name HA) (resid 21 and name HG1) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/PRO 6.99 -2.99e+000 0 0 assign (resid 19 and name HA) (resid 22 and name HB) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/VAL 6.86 -2.86e+000 0 0 assign (resid 19 and name HB2) (resid 19 and name HB1) 4.00 2.50 2.50 !F 1.000000 5 TRP/TRP 1.78 2.20e-001 0 0 assign (resid 19 and name HB2) (resid 19 and name HE1) 4.00 2.50 2.50 !T 1.095075 5 TRP/TRP 5.05 -1.05e+000 0 0 assign (resid 19 and name HB2) (resid 19 and name HE3) 4.00 2.50 2.50 ! 1.081093 5 TRP/TRP 3.36 6.43e-001 0 0 assign (resid 19 and name HB2) (resid 19 and name HZ3) 4.00 2.50 2.50 !T 1.085158 5 TRP/TRP 5.62 -1.62e+000 0 0 !assign (resid 19 and name HB2) (resid 19 and name HH2) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/TRP 6.86 -3.86e+000 0 0 assign (resid 19 and name HB2) (resid 20 and name HN) 4.00 2.50 2.50 !T 0.900741 5 TRP/PHE 1.78 2.20e-001 0 0 assign (resid 19 and name HB2) (resid 22 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/VAL 6.52 -2.52e+000 0 0 assign (resid 19 and name HB2) (resid 22 and name HB) 4.00 2.50 2.50 !T 1.083556 5 TRP/VAL 5.07 -1.07e+000 0 0 !assign (resid 19 and name HB2) (resid 22 and name HG1#) 4.00 2.50 2.50 !T 1.098375 2 TRP/VAL 7.39 -3.39e+000 0 0 assign (resid 19 and name HB2) (resid 22 and name HG2#) 4.00 2.50 2.50 !T 1.085298 2 TRP/VAL 5.91 -1.91e+000 0 0 assign (resid 19 and name HB2) (resid 23 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/LEU 6.80 -2.80e+000 0 0 assign (resid 19 and name HB1) (resid 19 and name HD1) 4.00 2.50 2.50 ! 0.975424 5 TRP/TRP 2.44 -4.44e-001 0 0 assign (resid 19 and name HB1) (resid 19 and name HE1) 4.00 2.50 2.50 ! 1.020883 5 TRP/TRP 4.64 -6.37e-001 0 0 assign (resid 19 and name HB1) (resid 19 and name HE3) 4.00 2.50 2.50 !T 1.097427 5 TRP/TRP 4.26 -2.64e-001 0 0 assign (resid 19 and name HB1) (resid 19 and name HZ3) 4.00 2.50 2.50 !T 1.096257 5 TRP/TRP 6.43 -2.43e+000 0 0 assign (resid 19 and name HB1) (resid 21 and name HG1) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/PRO 5.74 -1.74e+000 0 0 assign (resid 19 and name HB1) (resid 22 and name HB) 4.00 2.50 2.50 !T 1.094714 5 TRP/VAL 5.94 -1.94e+000 0 0 !assign (resid 19 and name HB1) (resid 22 and name HG1#) 4.00 2.50 2.50 !T 1.092576 2 TRP/VAL 7.90 -3.90e+000 0 0 assign (resid 19 and name HB1) (resid 22 and name HG2#) 4.00 2.50 2.50 !T 1.094141 2 TRP/VAL 6.66 -2.66e+000 0 0 assign (resid 19 and name HD1) (resid 19 and name HE1) 4.00 2.50 2.50 ! 1.046532 5 TRP/TRP 2.56 -5.56e-001 0 0 assign (resid 19 and name HE1) (resid 19 and name HZ2) 4.00 2.50 2.50 ! 1.022151 5 TRP/TRP 2.85 1.51e-001 0 0 assign (resid 19 and name HE1) (resid 19 and name HH2) 4.00 2.50 2.50 ! 1.070598 5 TRP/TRP 5.01 -1.01e+000 0 0 assign (resid 19 and name HE1) (resid 22 and name HG1#) 4.00 2.50 2.50 ! 0.928290 2 TRP/VAL 4.26 -2.59e-001 0 0 assign (resid 19 and name HE3) (resid 19 and name HZ2) 4.00 2.50 2.50 !T 1.071257 5 TRP/TRP 4.92 -9.21e-001 0 0 assign (resid 19 and name HE3) (resid 19 and name HZ3) 4.00 2.50 2.50 ! 1.050333 5 TRP/TRP 2.39 -3.93e-001 0 0 assign (resid 19 and name HE3) (resid 19 and name HH2) 4.00 2.50 2.50 !T 1.096881 5 TRP/TRP 4.25 -2.53e-001 0 0 assign (resid 19 and name HE3) (resid 20 and name HN) 4.00 2.50 2.50 !T 0.904905 5 TRP/PHE 2.16 -1.64e-001 0 0 assign (resid 19 and name HE3) (resid 20 and name HA) 4.00 2.50 2.50 ! 0.995439 5 TRP/PHE 3.39 6.11e-001 0 0 assign (resid 19 and name HE3) (resid 21 and name HG2) 4.00 2.50 2.50 ! 1.086455 5 TRP/PRO 5.28 -1.28e+000 0 0 assign (resid 19 and name HE3) (resid 21 and name HG1) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/PRO 5.88 -1.88e+000 0 0 assign (resid 19 and name HE3) (resid 22 and name HA) 4.00 2.50 2.50 !T 1.094956 5 TRP/VAL 6.61 -2.61e+000 0 0 assign (resid 19 and name HE3) (resid 22 and name HG1#) 4.00 2.50 2.50 !T 1.095372 2 TRP/VAL 6.13 -2.13e+000 0 0 assign (resid 19 and name HE3) (resid 22 and name HG2#) 4.00 2.50 2.50 !T 1.096675 2 TRP/VAL 6.12 -2.12e+000 0 0 assign (resid 19 and name HE3) (resid 23 and name HN) 4.00 2.50 2.50 !T 1.083030 5 TRP/LEU 4.76 -7.56e-001 0 0 assign (resid 19 and name HE3) (resid 23 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 TRP/LEU 6.73 -3.73e+000 0 0 assign (resid 19 and name HE3) (resid 23 and name HD2#) 4.00 2.50 2.50 !T 1.097379 2 TRP/LEU 5.46 -1.46e+000 0 0 assign (resid 19 and name HE3) (resid 24 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/ALA 7.18 -3.18e+000 0 0 !assign (resid 19 and name HE3) (resid 26 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 TRP/MET 7.79 -4.79e+000 0 0 assign (resid 19 and name HZ2) (resid 19 and name HZ3) 4.00 2.50 2.50 !T 1.099731 5 TRP/TRP 4.27 -2.72e-001 0 0 assign (resid 19 and name HZ2) (resid 19 and name HH2) 4.00 2.50 2.50 ! 1.084730 5 TRP/TRP 2.48 -4.83e-001 0 0 assign (resid 19 and name HZ2) (resid 22 and name HG1#) 4.00 2.50 2.50 !T 0.906867 2 TRP/VAL 2.75 1.25e+000 0 0 assign (resid 19 and name HZ2) (resid 22 and name HG2#) 4.00 2.50 2.50 ! 0.968025 2 TRP/VAL 4.61 -6.14e-001 0 0 assign (resid 19 and name HZ2) (resid 26 and name HB1) 4.00 2.50 2.50 !T 1.090693 5 TRP/MET 5.70 -1.70e+000 0 0 assign (resid 19 and name HZ3) (resid 19 and name HH2) 4.00 2.50 2.50 ! 1.079326 5 TRP/TRP 2.48 -4.84e-001 0 0 assign (resid 19 and name HZ3) (resid 22 and name HG1#) 4.00 2.50 2.50 !T 1.090571 2 TRP/VAL 5.16 -1.16e+000 0 0 assign (resid 19 and name HZ3) (resid 22 and name HG2#) 4.00 2.50 2.50 !T 1.093815 2 TRP/VAL 6.42 -2.42e+000 0 0 assign (resid 19 and name HZ3) (resid 23 and name HD2#) 4.00 2.50 2.50 ! 1.064601 2 TRP/LEU 4.63 -6.32e-001 0 0 assign (resid 19 and name HZ3) (resid 26 and name HB1) 4.00 2.50 2.50 !T 1.088436 5 TRP/MET 5.59 -1.59e+000 0 0 assign (resid 19 and name HH2) (resid 20 and name HN) 4.00 2.50 2.50 !T 1.093784 5 TRP/PHE 6.00 -4.00e+000 0 0 assign (resid 19 and name HH2) (resid 22 and name HG1#) 4.00 2.50 2.50 ! 0.915486 2 TRP/VAL 3.24 -2.35e-001 0 0 assign (resid 19 and name HH2) (resid 23 and name HG) 4.00 2.50 2.50 !T 1.095583 5 TRP/LEU 4.88 -8.84e-001 0 0 !assign (resid 19 and name HH2) (resid 23 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 TRP/LEU 6.62 -3.62e+000 0 0 assign (resid 20 and name HN) (resid 20 and name HA) 4.00 2.50 2.50 !T 1.084621 5 PHE/PHE 2.90 9.93e-002 0 0 assign (resid 20 and name HN) (resid 20 and name HB2) 4.00 2.50 2.50 ! 1.087543 5 PHE/PHE 2.69 -6.92e-001 0 0 assign (resid 20 and name HN) (resid 20 and name HB1) 4.00 2.50 2.50 !T 1.099670 5 PHE/PHE 3.38 -3.84e-001 0 0 assign (resid 20 and name HN) (resid 20 and name HE#) 4.00 2.50 2.50 !TB 1.096474 1 PHE/PHE 7.00 -4.00e+000 0 0 assign (resid 20 and name HN) (resid 21 and name HA) 4.00 2.50 2.50 !T 1.093381 5 PHE/PRO 4.55 -5.48e-001 0 0 assign (resid 20 and name HN) (resid 21 and name HD2) 4.00 2.50 2.50 !TB 0.901977 5 PHE/PRO 1.78 2.20e-001 0 2 assign (resid 20 and name HN) (resid 21 and name HD1) 4.00 2.50 2.50 !TB 0.901977 5 PHE/PRO 2.04 -3.53e-002 0 2 assign (resid 20 and name HN) (resid 22 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 PHE/VAL 5.65 -1.65e+000 0 0 assign (resid 20 and name HN) (resid 22 and name HG1#) 4.00 2.50 2.50 !T 1.056747 2 PHE/VAL 6.96 -2.96e+000 0 0 assign (resid 20 and name HN) (resid 23 and name HB1) 4.00 2.50 2.50 !TB 1.086462 5 PHE/LEU 6.25 -2.25e+000 0 2 !assign (resid 20 and name HN) (resid 23 and name HB2) 4.00 2.50 2.50 !TB 1.086462 5 PHE/LEU 7.65 -3.65e+000 0 2 assign (resid 20 and name HN) (resid 23 and name HD2#) 4.00 2.50 2.50 !T 1.093319 2 PHE/LEU 6.34 -2.34e+000 0 0 assign (resid 20 and name HA) (resid 20 and name HB2) 4.00 2.50 2.50 ! 1.021824 5 PHE/PHE 2.86 1.45e-001 0 0 assign (resid 20 and name HA) (resid 20 and name HB1) 4.00 2.50 2.50 ! 1.042596 5 PHE/PHE 2.91 9.38e-002 0 0 assign (resid 20 and name HA) (resid 20 and name HE#) 4.00 2.50 2.50 !TB 1.098030 1 PHE/PHE 4.94 -9.38e-001 0 0 assign (resid 20 and name HA) (resid 21 and name HB2) 4.00 2.50 2.50 !T 1.073747 5 PHE/PRO 6.53 -2.53e+000 0 0 assign (resid 20 and name HA) (resid 21 and name HB1) 4.00 2.50 2.50 !T 1.091548 5 PHE/PRO 5.64 -1.64e+000 0 0 assign (resid 20 and name HA) (resid 21 and name HD2) 4.00 2.50 2.50 !B 1.000557 5 PHE/PRO 4.27 -2.70e-001 0 2 assign (resid 20 and name HA) (resid 21 and name HD1) 4.00 2.50 2.50 !B 1.000557 5 PHE/PRO 3.74 2.63e-001 0 2 assign (resid 20 and name HA) (resid 22 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 PHE/VAL 7.03 -5.03e+000 0 0 assign (resid 20 and name HA) (resid 23 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 PHE/LEU 6.05 -3.05e+000 0 0 assign (resid 20 and name HA) (resid 23 and name HB1) 4.00 2.50 2.50 !TBISPA 1.000000 5 PHE/LEU 6.00 -4.00e+000 0 2 assign (resid 20 and name HA) (resid 23 and name HB2) 4.00 2.50 2.50 !TBISPA 1.000000 5 PHE/LEU 7.14 -4.14e+000 0 2 assign (resid 20 and name HA) (resid 23 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 PHE/LEU 6.82 -3.82e+000 0 0 assign (resid 20 and name HA) (resid 23 and name HD2#) 4.00 2.50 2.50 !T 1.085727 2 PHE/LEU 4.93 -9.29e-001 0 0 assign (resid 20 and name HB2) (resid 20 and name HB1) 4.00 2.50 2.50 !F 1.000000 5 PHE/PHE 1.78 2.19e-001 0 0 assign (resid 20 and name HB2) (resid 20 and name HD#) 4.00 2.50 2.50 !B 0.914342 1 PHE/PHE 2.63 -6.29e-001 0 0 assign (resid 20 and name HB2) (resid 20 and name HE#) 4.00 2.50 2.50 !B 1.024909 1 PHE/PHE 4.98 -9.77e-001 0 0 assign (resid 20 and name HB2) (resid 21 and name HA) 4.00 2.50 2.50 !T 1.095937 5 PHE/PRO 5.49 -1.49e+000 0 0 assign (resid 20 and name HB2) (resid 21 and name HB2) 4.00 2.50 2.50 !T 1.068621 5 PHE/PRO 6.23 -2.23e+000 0 0 assign (resid 20 and name HB2) (resid 21 and name HB1) 4.00 2.50 2.50 !T 1.092650 5 PHE/PRO 5.18 -1.18e+000 0 0 assign (resid 20 and name HB2) (resid 21 and name HD2) 4.00 2.35 2.50 !TB 0.903658 5 PHE/PRO 3.71 2.94e-001 0 2 assign (resid 20 and name HB2) (resid 21 and name HD1) 4.00 2.50 1.30 !TB 0.903658 5 PHE/PRO 2.30 7.04e-001 0 2 assign (resid 20 and name HB2) (resid 22 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 PHE/VAL 7.22 -4.22e+000 0 0 assign (resid 20 and name HB2) (resid 23 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 PHE/LEU 7.38 -4.38e+000 0 0 assign (resid 20 and name HB1) (resid 20 and name HD#) 4.00 2.50 2.50 !B 0.955741 1 PHE/PHE 2.82 1.79e-001 0 0 assign (resid 20 and name HB1) (resid 20 and name HE#) 4.00 2.50 2.50 !B 1.037527 1 PHE/PHE 5.03 -1.03e+000 0 0 assign (resid 20 and name HB1) (resid 21 and name HA) 4.00 2.50 2.50 !T 1.087193 5 PHE/PRO 4.29 -2.91e-001 0 0 assign (resid 20 and name HB1) (resid 21 and name HB2) 4.00 2.50 2.50 !T 1.086195 5 PHE/PRO 5.27 -1.27e+000 0 0 !assign (resid 20 and name HB1) (resid 21 and name HG2) 4.00 2.50 2.50 ! 1.068081 5 PHE/PRO 4.86 -8.58e-001 0 0 assign (resid 20 and name HB1) (resid 22 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 PHE/VAL 6.43 -3.43e+000 0 0 !assign (resid 20 and name HB1) (resid 23 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 PHE/LEU 7.36 -4.36e+000 0 0 assign (resid 20 and name HD#) (resid 20 and name HE#) 4.00 2.50 2.50 !FAB 1.000000 1 PHE/PHE 2.78 2.24e-001 0 0 !assign (resid 20 and name HE#) (resid 21 and name HD2) 4.00 2.50 2.50 !AB 1.072651 1 PHE/PRO 8.28 -4.28e+000 0 2 assign (resid 20 and name HE#) (resid 21 and name HD1) 4.00 2.50 2.50 !AB 1.072651 1 PHE/PRO 7.01 -3.01e+000 0 2 assign (resid 21 and name HA) (resid 21 and name HB2) 4.00 2.50 2.50 ! 1.006773 5 PRO/PRO 2.67 -6.73e-001 0 0 assign (resid 21 and name HA) (resid 21 and name HG2) 4.00 2.50 2.50 !TISPA 1.000000 5 PRO/PRO 3.97 -1.97e+000 0 0 assign (resid 21 and name HA) (resid 21 and name HD2) 4.00 2.50 2.50 !B 0.989149 5 PRO/PRO 3.90 9.86e-002 0 2 assign (resid 21 and name HA) (resid 21 and name HD1) 4.00 2.50 2.50 !B 0.989149 5 PRO/PRO 4.06 -5.81e-002 0 2 assign (resid 21 and name HA) (resid 22 and name HN) 4.00 2.50 2.50 ! 1.088191 5 PRO/VAL 3.01 -6.75e-003 0 0 !assign (resid 21 and name HA) (resid 22 and name HG1#) 4.00 2.50 2.50 !TISPA 1.000000 2 PRO/VAL 6.98 -2.98e+000 0 0 !assign (resid 21 and name HA) (resid 23 and name HA) 4.00 2.50 2.50 !T 1.069827 5 PRO/LEU 5.84 -1.84e+000 0 0 assign (resid 21 and name HA) (resid 24 and name HB#) 4.00 2.50 2.50 !TISPA 1.000000 2 PRO/ALA 6.15 -4.15e+000 0 0 assign (resid 21 and name HB2) (resid 21 and name HD2) 4.00 2.50 2.50 !B 1.051805 5 PRO/PRO 3.80 1.98e-001 0 2 assign (resid 21 and name HB2) (resid 21 and name HD1) 4.00 2.50 2.50 !B 1.051805 5 PRO/PRO 4.14 -1.39e-001 0 2 assign (resid 21 and name HB2) (resid 22 and name HN) 4.00 2.50 2.50 !T 0.906353 5 PRO/VAL 1.78 2.20e-001 0 0 assign (resid 21 and name HB1) (resid 21 and name HD2) 4.00 2.50 2.50 !B 1.032086 5 PRO/PRO 3.91 9.47e-002 0 2 assign (resid 21 and name HB1) (resid 21 and name HD1) 4.00 2.50 2.50 !B 1.032086 5 PRO/PRO 3.48 5.24e-001 0 2 assign (resid 21 and name HB1) (resid 22 and name HN) 4.00 2.50 2.50 ! 0.969343 5 PRO/VAL 3.33 6.68e-001 0 0 assign (resid 21 and name HG2) (resid 21 and name HD2) 4.00 2.50 1.70 !B 0.920156 5 PRO/PRO 2.30 -3.01e-001 0 2 assign (resid 21 and name HG2) (resid 21 and name HD1) 4.00 1.35 2.50 !B 0.920156 5 PRO/PRO 2.89 1.14e-001 0 2 assign (resid 21 and name HG2) (resid 22 and name HN) 4.00 2.50 2.50 ! 1.038130 5 PRO/VAL 3.10 -9.74e-002 0 0 assign (resid 21 and name HG2) (resid 22 and name HG1#) 4.00 2.50 2.50 !TISPA 1.000000 2 PRO/VAL 5.94 -2.94e+000 0 0 !assign (resid 21 and name HG2) (resid 23 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 PRO/LEU 7.85 -5.85e+000 0 0 assign (resid 21 and name HD2) (resid 22 and name HN) 4.00 2.50 2.50 !TA 1.084813 5 PRO/VAL 4.20 -4.00e-001 2 0 assign (resid 21 and name HD1) (resid 22 and name HN) 4.00 2.50 2.50 !TA 1.084813 5 PRO/VAL 5.12 -1.12e+000 2 0 assign (resid 21 and name HD2) (resid 22 and name HG1#) 4.00 2.50 2.50 !A 1.023814 2 PRO/VAL 5.93 -1.93e+000 2 0 !assign (resid 21 and name HD1) (resid 22 and name HG1#) 4.00 2.50 2.50 !AISPAC 1.000000 2 PRO/VAL 7.63 -3.63e+000 2 0 assign (resid 22 and name HN) (resid 22 and name HA) 4.00 2.50 2.50 ! 0.984155 5 VAL/VAL 2.33 -3.31e-001 0 0 assign (resid 22 and name HN) (resid 22 and name HG1#) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/VAL 4.98 -2.98e+000 0 0 assign (resid 22 and name HN) (resid 22 and name HG2#) 4.00 2.50 2.50 ! 1.022360 2 VAL/VAL 3.25 -2.50e-001 0 0 assign (resid 22 and name HN) (resid 23 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/LEU 3.01 -1.17e-002 0 0 assign (resid 22 and name HN) (resid 23 and name HA) 4.00 2.50 2.50 !T 1.095919 5 VAL/LEU 5.56 -1.56e+000 0 0 assign (resid 22 and name HN) (resid 23 and name HB1) 4.00 2.50 2.50 !TBISPA 1.000000 5 VAL/LEU 6.10 -2.10e+000 0 2 assign (resid 22 and name HN) (resid 23 and name HB2) 4.00 2.50 2.50 !TBISPA 1.000000 5 VAL/LEU 6.48 -2.48e+000 0 2 assign (resid 22 and name HN) (resid 23 and name HG) 4.00 2.50 2.50 !T 1.068225 5 VAL/LEU 4.24 -2.40e-001 0 0 assign (resid 22 and name HN) (resid 23 and name HD1#) 4.00 2.50 2.50 !T 1.099742 2 VAL/LEU 4.40 -4.04e-001 0 0 assign (resid 22 and name HN) (resid 23 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/LEU 6.61 -3.61e+000 0 0 assign (resid 22 and name HN) (resid 24 and name HN) 4.00 2.50 2.50 !T 1.097076 5 VAL/ALA 3.83 -8.27e-001 0 0 assign (resid 22 and name HN) (resid 24 and name HB#) 4.00 2.50 2.50 !T 1.097729 2 VAL/ALA 5.55 -1.55e+000 0 0 assign (resid 22 and name HN) (resid 25 and name HN) 4.00 2.50 2.50 !T 1.089557 5 VAL/LEU 4.46 -4.56e-001 0 0 assign (resid 22 and name HN) (resid 26 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/MET 7.31 -4.31e+000 0 0 assign (resid 22 and name HA) (resid 22 and name HG1#) 4.00 2.50 2.50 ! 1.051489 2 VAL/VAL 3.08 -8.50e-002 0 0 assign (resid 22 and name HA) (resid 22 and name HG2#) 4.00 2.50 2.50 ! 1.028384 2 VAL/VAL 3.03 -3.09e-002 0 0 assign (resid 22 and name HA) (resid 23 and name HB1) 4.00 2.50 2.50 !TB 1.080505 5 VAL/LEU 6.10 -2.10e+000 0 2 assign (resid 22 and name HA) (resid 23 and name HB2) 4.00 2.50 2.50 !TB 1.080505 5 VAL/LEU 6.48 -2.48e+000 0 2 !assign (resid 22 and name HA) (resid 23 and name HD1#) 4.00 2.50 2.50 !T 1.089401 2 VAL/LEU 5.21 -1.21e+000 0 0 assign (resid 22 and name HA) (resid 23 and name HD2#) 4.00 2.50 2.50 !T 1.065617 2 VAL/LEU 7.57 -3.57e+000 0 0 assign (resid 22 and name HA) (resid 24 and name HB#) 4.00 2.50 2.50 ! 1.052448 2 VAL/ALA 5.54 -1.54e+000 0 0 assign (resid 22 and name HA) (resid 25 and name HN) 4.00 2.50 2.50 ! 0.965418 5 VAL/LEU 3.13 -1.27e-001 0 0 assign (resid 22 and name HA) (resid 25 and name HB2) 4.00 2.50 2.50 ! 1.034947 5 VAL/LEU 2.84 1.58e-001 0 0 assign (resid 22 and name HA) (resid 25 and name HB1) 4.00 2.50 2.50 !T 1.098939 5 VAL/LEU 4.55 -5.53e-001 0 0 assign (resid 22 and name HA) (resid 25 and name HD1#) 4.00 2.50 2.50 ! 1.070436 2 VAL/LEU 4.04 -3.67e-002 0 0 assign (resid 22 and name HA) (resid 26 and name HN) 4.00 2.50 2.50 ! 1.060128 5 VAL/MET 4.06 -5.67e-002 0 0 assign (resid 22 and name HA) (resid 26 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/MET 5.73 -2.73e+000 0 0 assign (resid 22 and name HA) (resid 27 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/ALA 6.50 -2.50e+000 0 0 !assign (resid 22 and name HA) (resid 28 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/HIS 7.49 -3.49e+000 0 0 !assign (resid 22 and name HA) (resid 29 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 VAL/SER 7.65 -3.65e+000 0 0 assign (resid 22 and name HA) (resid 29 and name HB1) 4.00 2.50 2.50 !TB 1.089211 5 VAL/SER 7.74 -3.74e+000 0 2 assign (resid 22 and name HA) (resid 29 and name HB2) 4.00 2.50 2.50 !TB 1.089211 5 VAL/SER 7.41 -3.41e+000 0 2 assign (resid 22 and name HG1#) (resid 22 and name HG2#) 4.00 2.50 2.50 !F 1.000000 2 VAL/VAL 3.39 6.10e-001 0 0 assign (resid 22 and name HG1#) (resid 23 and name HB1) 4.00 2.50 2.50 !TB 1.097116 2 VAL/LEU 6.20 -2.20e+000 0 2 !assign (resid 22 and name HG1#) (resid 23 and name HB2) 4.00 2.50 2.50 !TB 1.097116 2 VAL/LEU 7.13 -3.13e+000 0 2 assign (resid 22 and name HG1#) (resid 23 and name HG) 4.00 2.50 2.50 !T 1.087004 2 VAL/LEU 6.20 -2.20e+000 0 0 assign (resid 22 and name HG1#) (resid 25 and name HN) 4.00 2.50 2.50 ! 1.043935 2 VAL/LEU 5.03 -1.03e+000 0 0 assign (resid 22 and name HG1#) (resid 25 and name HB2) 4.00 2.50 2.50 !T 1.086231 2 VAL/LEU 4.04 -4.13e-002 0 0 assign (resid 22 and name HG1#) (resid 25 and name HB1) 4.00 2.50 2.50 !T 1.098984 2 VAL/LEU 5.23 -1.23e+000 0 0 assign (resid 22 and name HG1#) (resid 26 and name HN) 4.00 2.50 2.50 ! 1.025717 2 VAL/MET 4.42 -4.17e-001 0 0 assign (resid 22 and name HG1#) (resid 26 and name HB2) 4.00 2.50 2.50 ! 0.921145 2 VAL/MET 3.38 6.22e-001 0 0 assign (resid 22 and name HG1#) (resid 26 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/MET 4.91 -2.91e+000 0 0 assign (resid 22 and name HG1#) (resid 26 and name HG2) 4.00 2.50 2.50 ! 1.001767 2 VAL/MET 5.45 -1.45e+000 0 0 assign (resid 22 and name HG1#) (resid 26 and name HG1) 4.00 2.50 2.50 ! 0.983874 2 VAL/MET 5.01 -1.01e+000 0 0 assign (resid 22 and name HG1#) (resid 27 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/ALA 6.68 -3.68e+000 0 0 !assign (resid 22 and name HG1#) (resid 29 and name HN) 4.00 2.50 2.50 !T 1.097035 2 VAL/SER 7.92 -3.92e+000 0 0 assign (resid 22 and name HG1#) (resid 29 and name HB1) 4.00 2.50 2.50 !TBISPA 1.000000 2 VAL/SER 7.10 -4.10e+000 0 2 assign (resid 22 and name HG1#) (resid 29 and name HB2) 4.00 2.50 2.50 !TBISPA 1.000000 2 VAL/SER 7.30 -4.30e+000 0 2 assign (resid 22 and name HG2#) (resid 23 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/LEU 6.72 -3.72e+000 0 0 assign (resid 22 and name HG2#) (resid 24 and name HN) 4.00 2.50 2.50 !T 1.097973 2 VAL/ALA 6.32 -2.32e+000 0 0 assign (resid 22 and name HG2#) (resid 25 and name HN) 4.00 2.50 2.50 !T 1.089153 2 VAL/LEU 6.02 -2.02e+000 0 0 !assign (resid 22 and name HG2#) (resid 26 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 2 VAL/MET 7.72 -5.72e+000 0 0 assign (resid 23 and name HN) (resid 23 and name HA) 4.00 2.50 2.50 ! 0.984364 5 LEU/LEU 2.92 8.20e-002 0 0 assign (resid 23 and name HN) (resid 23 and name HB1) 4.00 2.50 1.30 !B 1.081451 5 LEU/LEU 3.12 -1.21e-001 0 2 assign (resid 23 and name HN) (resid 23 and name HB2) 4.00 2.35 2.50 !B 1.081451 5 LEU/LEU 3.54 4.55e-001 0 2 assign (resid 23 and name HN) (resid 23 and name HG) 4.00 2.50 2.50 ! 0.903488 5 LEU/LEU 1.78 2.20e-001 0 0 assign (resid 23 and name HN) (resid 23 and name HD1#) 4.00 2.50 2.50 ! 0.936369 2 LEU/LEU 2.51 -5.14e-001 0 0 assign (resid 23 and name HN) (resid 23 and name HD2#) 4.00 2.50 2.50 ! 0.975345 2 LEU/LEU 4.31 -3.13e-001 0 0 assign (resid 23 and name HA) (resid 23 and name HB1) 4.00 2.50 2.50 !B 0.996769 5 LEU/LEU 2.31 -3.14e-001 0 2 assign (resid 23 and name HA) (resid 23 and name HB2) 4.00 2.50 2.50 !B 0.996769 5 LEU/LEU 2.69 -6.93e-001 0 2 assign (resid 23 and name HA) (resid 23 and name HG) 4.00 2.50 2.50 !T 1.099291 5 LEU/LEU 3.55 -5.54e-001 0 0 assign (resid 23 and name HA) (resid 23 and name HD1#) 4.00 2.50 2.50 ! 0.922536 2 LEU/LEU 4.31 -3.08e-001 0 0 assign (resid 23 and name HA) (resid 23 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/LEU 5.07 -3.07e+000 0 0 assign (resid 23 and name HA) (resid 24 and name HB#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/ALA 6.09 -4.09e+000 0 0 !assign (resid 23 and name HA) (resid 25 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/LEU 6.84 -3.84e+000 0 0 assign (resid 23 and name HA) (resid 26 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/MET 5.23 -2.23e+000 0 0 assign (resid 23 and name HA) (resid 26 and name HB2) 4.00 2.50 2.50 ! 1.046808 5 LEU/MET 3.15 -1.53e-001 0 0 assign (resid 23 and name HA) (resid 26 and name HB1) 4.00 2.50 2.50 ! 1.040486 5 LEU/MET 2.62 -6.24e-001 0 0 assign (resid 23 and name HA) (resid 26 and name HG2) 4.00 2.50 2.50 !T 1.096815 5 LEU/MET 5.34 -1.34e+000 0 0 assign (resid 23 and name HA) (resid 26 and name HG1) 4.00 2.50 2.50 ! 1.081728 5 LEU/MET 4.34 -3.41e-001 0 0 assign (resid 23 and name HA) (resid 27 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ALA 6.36 -2.36e+000 0 0 assign (resid 23 and name HA) (resid 28 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/HIS 6.36 -2.36e+000 0 0 assign (resid 23 and name HB1) (resid 23 and name HG) 4.00 2.50 1.70 !A 1.079302 5 LEU/LEU 2.44 -4.38e-001 2 0 assign (resid 23 and name HB2) (resid 23 and name HG) 4.00 1.35 2.50 !A 1.079302 5 LEU/LEU 3.03 -3.40e-002 2 0 assign (resid 23 and name HB1) (resid 23 and name HD1#) 4.00 2.35 2.50 !A 1.051104 2 LEU/LEU 4.01 -1.33e-002 2 0 assign (resid 23 and name HB2) (resid 23 and name HD1#) 4.00 2.50 1.30 !A 1.051104 2 LEU/LEU 3.07 -6.68e-002 2 0 assign (resid 23 and name HB1) (resid 23 and name HD2#) 4.00 2.50 2.50 !A 0.980630 2 LEU/LEU 3.07 -6.67e-002 2 0 assign (resid 23 and name HB2) (resid 23 and name HD2#) 4.00 2.50 2.50 !A 0.980630 2 LEU/LEU 3.03 -3.40e-002 2 0 assign (resid 23 and name HB1) (resid 24 and name HB#) 4.00 2.50 2.50 !TA 1.068623 2 LEU/ALA 6.85 -2.85e+000 2 0 assign (resid 23 and name HB2) (resid 24 and name HB#) 4.00 2.50 2.50 !TA 1.068623 2 LEU/ALA 5.71 -1.71e+000 2 0 assign (resid 23 and name HB1) (resid 26 and name HN) 4.00 2.50 2.50 !TA 1.077984 5 LEU/MET 5.61 -1.61e+000 2 0 assign (resid 23 and name HB2) (resid 26 and name HN) 4.00 2.50 2.50 !TA 1.077984 5 LEU/MET 5.36 -1.36e+000 2 0 !assign (resid 23 and name HB1) (resid 26 and name HA) 4.00 2.50 2.50 !TAISPA 1.000000 5 LEU/MET 7.51 -4.51e+000 2 0 !assign (resid 23 and name HB2) (resid 26 and name HA) 4.00 2.50 2.50 !TAISPA 1.000000 5 LEU/MET 7.55 -4.55e+000 2 0 assign (resid 23 and name HB1) (resid 26 and name HB2) 4.00 2.50 2.50 !A 1.074361 5 LEU/MET 5.32 -1.32e+000 2 0 assign (resid 23 and name HB2) (resid 26 and name HB2) 4.00 2.50 2.50 !A 1.074361 5 LEU/MET 5.77 -1.77e+000 2 0 assign (resid 23 and name HB1) (resid 26 and name HB1) 4.00 2.50 2.50 !TA 1.092747 5 LEU/MET 4.71 -7.12e-001 2 0 assign (resid 23 and name HB2) (resid 26 and name HB1) 4.00 2.50 2.50 !TA 1.092747 5 LEU/MET 4.77 -7.70e-001 2 0 assign (resid 23 and name HB1) (resid 27 and name HN) 4.00 2.50 2.50 !TAISPA 1.000000 5 LEU/ALA 6.01 -3.01e+000 2 0 assign (resid 23 and name HB2) (resid 27 and name HN) 4.00 2.50 2.50 !TAISPA 1.000000 5 LEU/ALA 5.28 -2.28e+000 2 0 assign (resid 23 and name HG) (resid 23 and name HD2#) 4.00 2.50 2.50 !F 1.000000 2 LEU/LEU 2.82 1.76e-001 0 0 assign (resid 23 and name HG) (resid 24 and name HB#) 4.00 2.50 2.50 !T 1.086220 2 LEU/ALA 5.96 -1.96e+000 0 0 assign (resid 23 and name HG) (resid 25 and name HN) 4.00 2.50 2.50 ! 1.073481 5 LEU/LEU 5.68 -1.68e+000 0 0 assign (resid 23 and name HG) (resid 26 and name HB2) 4.00 2.50 2.50 !T 1.097441 5 LEU/MET 6.33 -2.33e+000 0 0 assign (resid 23 and name HG) (resid 26 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/MET 6.16 -2.16e+000 0 0 assign (resid 23 and name HG) (resid 27 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ALA 7.16 -4.16e+000 0 0 assign (resid 23 and name HD1#) (resid 23 and name HD2#) 4.00 2.50 2.50 !F 1.000000 2 LEU/LEU 3.40 6.02e-001 0 0 assign (resid 23 and name HD1#) (resid 24 and name HB#) 4.00 2.50 2.50 ! 0.955247 2 LEU/ALA 3.94 5.58e-002 0 0 !assign (resid 23 and name HD1#) (resid 25 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/LEU 6.70 -4.70e+000 0 0 assign (resid 23 and name HD1#) (resid 26 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/MET 5.73 -2.73e+000 0 0 assign (resid 23 and name HD1#) (resid 27 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/ALA 6.46 -4.46e+000 0 0 !assign (resid 23 and name HD1#) (resid 28 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/HIS 7.97 -4.97e+000 0 0 assign (resid 23 and name HD2#) (resid 24 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/ALA 5.33 -2.33e+000 0 0 assign (resid 23 and name HD2#) (resid 24 and name HB#) 4.00 2.50 2.50 !T 1.059014 2 LEU/ALA 6.83 -2.83e+000 0 0 assign (resid 23 and name HD2#) (resid 25 and name HN) 4.00 2.50 2.50 !T 1.086798 2 LEU/LEU 7.55 -3.55e+000 0 0 !assign (resid 23 and name HD2#) (resid 26 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/MET 7.84 -4.84e+000 0 0 !assign (resid 23 and name HD2#) (resid 26 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/MET 7.49 -4.49e+000 0 0 assign (resid 24 and name HA) (resid 24 and name HB#) 4.00 2.50 2.50 !T 0.905070 2 ALA/ALA 2.83 1.73e-001 0 0 !assign (resid 24 and name HA) (resid 26 and name HG1) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/MET 7.87 -3.87e+000 0 0 assign (resid 24 and name HB#) (resid 25 and name HB2) 4.00 2.50 2.50 !T 1.073689 2 ALA/LEU 5.35 -1.35e+000 0 0 assign (resid 24 and name HB#) (resid 25 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/LEU 6.41 -3.41e+000 0 0 assign (resid 24 and name HB#) (resid 25 and name HD1#) 4.00 2.50 2.50 ! 0.916977 2 ALA/LEU 3.53 4.73e-001 0 0 assign (resid 24 and name HB#) (resid 26 and name HN) 4.00 2.50 2.50 !T 1.096038 2 ALA/MET 5.30 -1.30e+000 0 0 !assign (resid 24 and name HB#) (resid 26 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/MET 8.03 -5.03e+000 0 0 !assign (resid 24 and name HB#) (resid 26 and name HB2) 4.00 2.50 2.50 !T 1.062268 2 ALA/MET 7.55 -3.55e+000 0 0 !assign (resid 24 and name HB#) (resid 26 and name HB1) 4.00 2.50 2.50 !T 1.094437 2 ALA/MET 7.11 -3.11e+000 0 0 assign (resid 24 and name HB#) (resid 27 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/ALA 5.94 -3.94e+000 0 0 assign (resid 24 and name HB#) (resid 28 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/HIS 6.10 -3.10e+000 0 0 assign (resid 24 and name HB#) (resid 28 and name HB1) 4.00 2.50 2.50 !T 1.091097 2 ALA/HIS 7.32 -3.32e+000 0 0 assign (resid 24 and name HB#) (resid 28 and name HD2) 4.00 2.50 2.50 !T 1.069931 2 ALA/HIS 6.14 -2.14e+000 0 0 assign (resid 24 and name HB#) (resid 29 and name HN) 4.00 2.50 2.50 !T 1.094929 2 ALA/SER 7.45 -3.45e+000 0 0 assign (resid 25 and name HB2) (resid 25 and name HB1) 4.00 2.50 2.50 !F 1.000000 5 LEU/LEU 1.78 2.20e-001 0 0 assign (resid 25 and name HB2) (resid 25 and name HD1#) 4.00 2.50 2.50 ! 1.072179 2 LEU/LEU 3.07 -6.90e-002 0 0 assign (resid 25 and name HB2) (resid 26 and name HN) 4.00 2.50 2.50 ! 1.038440 5 LEU/MET 3.10 -1.03e-001 0 0 assign (resid 25 and name HB2) (resid 26 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/MET 4.58 -2.58e+000 0 0 assign (resid 25 and name HB2) (resid 26 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/MET 5.50 -1.50e+000 0 0 !assign (resid 25 and name HB2) (resid 26 and name HG1) 4.00 2.50 2.50 !T 1.072648 5 LEU/MET 6.97 -2.97e+000 0 0 assign (resid 25 and name HB2) (resid 27 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ALA 5.43 -2.43e+000 0 0 assign (resid 25 and name HB2) (resid 28 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/HIS 5.54 -2.54e+000 0 0 assign (resid 25 and name HB2) (resid 28 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/HIS 6.98 -2.98e+000 0 0 assign (resid 25 and name HB2) (resid 29 and name HB1) 4.00 2.50 2.50 !TBISPA 1.000000 5 LEU/SER 5.42 -2.42e+000 0 2 assign (resid 25 and name HB2) (resid 29 and name HB2) 4.00 2.50 2.50 !TBISPA 1.000000 5 LEU/SER 4.75 -1.75e+000 0 2 assign (resid 25 and name HB1) (resid 26 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/MET 3.86 -1.86e+000 0 0 assign (resid 25 and name HB1) (resid 26 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/MET 4.39 -2.39e+000 0 0 assign (resid 25 and name HB1) (resid 26 and name HG2) 4.00 2.50 2.50 !T 1.058592 5 LEU/MET 6.58 -2.58e+000 0 0 !assign (resid 25 and name HB1) (resid 26 and name HG1) 4.00 2.50 2.50 !T 1.084792 5 LEU/MET 7.46 -3.46e+000 0 0 assign (resid 25 and name HB1) (resid 28 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/HIS 5.18 -2.18e+000 0 0 assign (resid 25 and name HB1) (resid 28 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/HIS 5.97 -1.97e+000 0 0 assign (resid 25 and name HB1) (resid 29 and name HB1) 4.00 2.35 2.50 !B 0.962748 5 LEU/SER 4.20 -4.00e-001 0 2 assign (resid 25 and name HB1) (resid 29 and name HB2) 4.00 2.50 1.30 !B 0.962748 5 LEU/SER 3.17 -1.66e-001 0 2 assign (resid 25 and name HD1#) (resid 26 and name HN) 4.00 2.50 2.50 ! 1.032564 2 LEU/MET 4.77 -7.70e-001 0 0 assign (resid 25 and name HD1#) (resid 28 and name HN) 4.00 2.50 2.50 !T 1.098278 2 LEU/HIS 6.01 -2.01e+000 0 0 assign (resid 25 and name HD1#) (resid 28 and name HB2) 4.00 2.50 2.50 ! 1.036595 2 LEU/HIS 5.12 -1.12e+000 0 0 assign (resid 25 and name HD1#) (resid 29 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 2 LEU/SER 6.19 -3.19e+000 0 0 !assign (resid 25 and name HD1#) (resid 29 and name HA) 4.00 2.50 2.50 !T 1.088689 2 LEU/SER 8.27 -4.27e+000 0 0 assign (resid 26 and name HN) (resid 26 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/MET 2.90 -9.00e-001 0 0 assign (resid 26 and name HN) (resid 26 and name HB2) 4.00 2.50 2.50 ! 1.014779 5 MET/MET 2.57 -5.65e-001 0 0 assign (resid 26 and name HN) (resid 26 and name HB1) 4.00 2.50 2.50 ! 1.041788 5 MET/MET 2.58 -5.80e-001 0 0 assign (resid 26 and name HN) (resid 26 and name HG2) 4.00 2.50 2.50 !T 1.092510 5 MET/MET 4.45 -4.53e-001 0 0 assign (resid 26 and name HN) (resid 26 and name HG1) 4.00 2.50 2.50 !T 1.099477 5 MET/MET 4.68 -6.76e-001 0 0 assign (resid 26 and name HN) (resid 27 and name HN) 4.00 2.50 2.50 ! 1.055637 5 MET/ALA 2.56 -5.57e-001 0 0 assign (resid 26 and name HN) (resid 27 and name HB#) 4.00 2.50 2.50 !T 1.099836 2 MET/ALA 5.28 -1.28e+000 0 0 assign (resid 26 and name HN) (resid 28 and name HN) 4.00 2.50 2.50 !T 1.096691 5 MET/HIS 3.78 -7.82e-001 0 0 assign (resid 26 and name HN) (resid 29 and name HN) 4.00 2.50 2.50 !T 1.049457 5 MET/SER 4.55 -5.46e-001 0 0 assign (resid 26 and name HN) (resid 29 and name HB1) 4.00 2.50 2.50 !TB 1.095983 5 MET/SER 5.08 -1.08e+000 0 2 assign (resid 26 and name HN) (resid 29 and name HB2) 4.00 2.50 2.50 !TB 1.095983 5 MET/SER 5.28 -1.28e+000 0 2 assign (resid 26 and name HA) (resid 26 and name HB2) 4.00 2.50 2.50 ! 1.077897 5 MET/MET 2.51 -5.10e-001 0 0 assign (resid 26 and name HA) (resid 26 and name HB1) 4.00 2.50 2.50 !T 1.099308 5 MET/MET 3.04 -1.04e+000 0 0 assign (resid 26 and name HA) (resid 26 and name HG2) 4.00 2.50 2.50 ! 1.019510 5 MET/MET 2.33 -3.32e-001 0 0 assign (resid 26 and name HA) (resid 26 and name HG1) 4.00 2.50 2.50 ! 1.033882 5 MET/MET 3.58 4.20e-001 0 0 assign (resid 26 and name HA) (resid 27 and name HN) 4.00 2.50 2.50 ! 0.989505 5 MET/ALA 3.56 4.39e-001 0 0 assign (resid 26 and name HA) (resid 27 and name HB#) 4.00 2.50 2.50 !T 1.095568 2 MET/ALA 6.17 -2.17e+000 0 0 assign (resid 26 and name HA) (resid 28 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/HIS 4.26 -2.26e+000 0 0 !assign (resid 26 and name HA) (resid 28 and name HB2) 4.00 2.50 2.50 !T 1.095177 5 MET/HIS 5.60 -1.60e+000 0 0 assign (resid 26 and name HA) (resid 28 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/HIS 6.98 -2.98e+000 0 0 !assign (resid 26 and name HA) (resid 28 and name HD2) 4.00 2.50 2.50 !T 1.099635 5 MET/HIS 6.88 -2.88e+000 0 0 assign (resid 26 and name HA) (resid 30 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 MET/LEU 6.24 -4.24e+000 0 0 assign (resid 26 and name HA) (resid 31 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/ALA 7.50 -3.50e+000 0 0 assign (resid 26 and name HB2) (resid 26 and name HB1) 4.00 2.50 2.50 !F 1.000000 5 MET/MET 1.78 2.20e-001 0 0 assign (resid 26 and name HB2) (resid 26 and name HG2) 4.00 2.50 2.50 ! 0.985610 5 MET/MET 2.61 -6.08e-001 0 0 assign (resid 26 and name HB2) (resid 26 and name HG1) 4.00 2.50 2.50 ! 0.950688 5 MET/MET 2.36 -3.57e-001 0 0 assign (resid 26 and name HB2) (resid 27 and name HN) 4.00 2.50 2.50 ! 1.081783 5 MET/ALA 3.83 1.67e-001 0 0 assign (resid 26 and name HB2) (resid 27 and name HB#) 4.00 2.50 2.50 !T 1.099725 2 MET/ALA 6.43 -2.43e+000 0 0 assign (resid 26 and name HB2) (resid 28 and name HN) 4.00 2.50 2.50 !T 1.064723 5 MET/HIS 5.60 -1.60e+000 0 0 assign (resid 26 and name HB2) (resid 29 and name HN) 4.00 2.50 2.50 !T 1.054796 5 MET/SER 6.05 -2.05e+000 0 0 assign (resid 26 and name HB2) (resid 30 and name HN) 4.00 2.50 2.50 !T 1.083337 5 MET/LEU 5.73 -1.73e+000 0 0 assign (resid 26 and name HB2) (resid 30 and name HB2) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/LEU 5.99 -3.99e+000 0 0 assign (resid 26 and name HB2) (resid 30 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/LEU 6.26 -3.26e+000 0 0 assign (resid 26 and name HB1) (resid 26 and name HG2) 4.00 2.50 2.50 ! 1.008671 5 MET/MET 3.02 -1.89e-002 0 0 assign (resid 26 and name HB1) (resid 26 and name HG1) 4.00 2.50 2.50 ! 0.985938 5 MET/MET 2.60 -5.99e-001 0 0 assign (resid 26 and name HB1) (resid 27 and name HN) 4.00 2.50 2.50 ! 1.084843 5 MET/ALA 2.57 -5.70e-001 0 0 assign (resid 26 and name HB1) (resid 27 and name HB#) 4.00 2.50 2.50 ! 1.077306 2 MET/ALA 4.84 -8.35e-001 0 0 assign (resid 26 and name HB1) (resid 28 and name HN) 4.00 2.50 2.50 !T 1.084712 5 MET/HIS 4.80 -8.03e-001 0 0 assign (resid 26 and name HB1) (resid 29 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/SER 5.96 -2.96e+000 0 0 assign (resid 26 and name HB1) (resid 30 and name HN) 4.00 2.50 2.50 !T 1.085946 5 MET/LEU 5.85 -1.85e+000 0 0 assign (resid 26 and name HB1) (resid 30 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/LEU 5.96 -2.96e+000 0 0 assign (resid 26 and name HB1) (resid 30 and name HD1#) 4.00 2.50 2.50 !TISPA 1.000000 2 MET/LEU 7.50 -4.50e+000 0 0 assign (resid 26 and name HG2) (resid 26 and name HG1) 4.00 2.50 2.50 !F 1.000000 5 MET/MET 1.78 2.20e-001 0 0 assign (resid 26 and name HG2) (resid 27 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 MET/ALA 4.62 -6.17e-001 0 0 assign (resid 26 and name HG2) (resid 27 and name HB#) 4.00 2.50 2.50 !T 1.091953 2 MET/ALA 6.76 -2.76e+000 0 0 assign (resid 26 and name HG2) (resid 28 and name HN) 4.00 2.50 2.50 !T 1.051802 5 MET/HIS 5.97 -1.97e+000 0 0 assign (resid 26 and name HG2) (resid 30 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 MET/LEU 6.87 -2.87e+000 0 0 assign (resid 26 and name HG1) (resid 27 and name HN) 4.00 2.50 2.50 ! 1.091599 5 MET/ALA 4.90 -9.05e-001 0 0 !assign (resid 26 and name HG1) (resid 27 and name HB#) 4.00 2.50 2.50 !T 1.086264 2 MET/ALA 6.86 -2.86e+000 0 0 assign (resid 26 and name HG1) (resid 28 and name HN) 4.00 2.50 2.50 !T 1.091571 5 MET/HIS 6.82 -2.82e+000 0 0 assign (resid 27 and name HN) (resid 27 and name HA) 4.00 2.50 2.50 !T 1.099172 5 ALA/ALA 2.91 9.18e-002 0 0 assign (resid 27 and name HN) (resid 27 and name HB#) 4.00 2.50 2.50 ! 1.040985 2 ALA/ALA 2.91 8.56e-002 0 0 assign (resid 27 and name HN) (resid 28 and name HN) 4.00 2.50 2.50 ! 1.098696 5 ALA/HIS 2.48 -4.78e-001 0 0 assign (resid 27 and name HN) (resid 28 and name HA) 4.00 2.50 2.50 !T 1.096802 5 ALA/HIS 5.19 -1.19e+000 0 0 assign (resid 27 and name HN) (resid 28 and name HB2) 4.00 2.50 2.50 ! 1.052599 5 ALA/HIS 4.62 -6.21e-001 0 0 assign (resid 27 and name HN) (resid 28 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/HIS 6.07 -3.07e+000 0 0 !assign (resid 27 and name HN) (resid 28 and name HE1) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/HIS 7.62 -3.62e+000 0 0 assign (resid 27 and name HN) (resid 29 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/SER 4.41 -1.41e+000 0 0 !assign (resid 27 and name HN) (resid 30 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/LEU 7.85 -4.85e+000 0 0 assign (resid 27 and name HN) (resid 30 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/LEU 5.89 -3.89e+000 0 0 assign (resid 27 and name HN) (resid 31 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/ALA 7.79 -4.79e+000 0 0 assign (resid 27 and name HA) (resid 29 and name HN) 4.00 2.50 2.50 !TISPA 1.000000 5 ALA/SER 5.19 -2.19e+000 0 0 assign (resid 27 and name HA) (resid 30 and name HD2#) 4.00 2.50 2.50 !T 1.091010 2 ALA/LEU 6.47 -2.47e+000 0 0 assign (resid 27 and name HA) (resid 31 and name HB#) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/ALA 7.65 -5.65e+000 0 0 assign (resid 27 and name HB#) (resid 28 and name HB2) 4.00 2.50 2.50 !T 1.092893 2 ALA/HIS 5.59 -1.59e+000 0 0 assign (resid 27 and name HB#) (resid 28 and name HB1) 4.00 2.50 2.50 !T 1.091827 2 ALA/HIS 6.51 -2.51e+000 0 0 assign (resid 27 and name HB#) (resid 28 and name HD2) 4.00 2.50 2.50 !T 0.901836 2 ALA/HIS 3.14 -1.44e-001 0 0 assign (resid 28 and name HN) (resid 28 and name HA) 4.00 2.50 2.50 !T 1.096225 5 HIS/HIS 2.95 5.04e-002 0 0 assign (resid 28 and name HN) (resid 28 and name HB2) 4.00 2.50 2.50 ! 1.043632 5 HIS/HIS 2.37 -3.71e-001 0 0 assign (resid 28 and name HN) (resid 28 and name HB1) 4.00 2.50 2.50 ! 1.065646 5 HIS/HIS 3.62 3.76e-001 0 0 assign (resid 28 and name HN) (resid 28 and name HD2) 4.00 2.50 2.50 ! 0.923492 5 HIS/HIS 2.71 2.86e-001 0 0 assign (resid 28 and name HN) (resid 29 and name HN) 4.00 2.50 2.50 ! 1.050954 5 HIS/SER 2.57 -5.67e-001 0 0 assign (resid 28 and name HN) (resid 29 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 HIS/SER 5.19 -1.19e+000 0 0 assign (resid 28 and name HN) (resid 31 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 HIS/ALA 6.62 -2.62e+000 0 0 assign (resid 28 and name HN) (resid 31 and name HB#) 4.00 2.50 2.50 !TISPA 1.000000 2 HIS/ALA 7.80 -4.80e+000 0 0 assign (resid 28 and name HA) (resid 28 and name HB2) 4.00 2.50 2.50 ! 1.042916 5 HIS/HIS 3.03 -2.95e-002 0 0 assign (resid 28 and name HA) (resid 28 and name HB1) 4.00 2.50 2.50 ! 0.972406 5 HIS/HIS 2.54 -5.40e-001 0 0 assign (resid 28 and name HA) (resid 28 and name HD2) 4.00 2.50 2.50 ! 0.982821 5 HIS/HIS 2.72 2.80e-001 0 0 assign (resid 28 and name HA) (resid 29 and name HN) 4.00 2.50 2.50 !T 1.095485 5 HIS/SER 3.59 -5.87e-001 0 0 assign (resid 28 and name HA) (resid 31 and name HB#) 4.00 2.50 2.50 !T 1.096079 2 HIS/ALA 5.65 -1.65e+000 0 0 assign (resid 28 and name HB2) (resid 28 and name HB1) 4.00 2.50 2.50 !F 1.000000 5 HIS/HIS 1.78 2.20e-001 0 0 assign (resid 28 and name HB2) (resid 28 and name HD2) 4.00 2.50 2.50 ! 1.063483 5 HIS/HIS 3.50 5.02e-001 0 0 assign (resid 28 and name HB2) (resid 29 and name HN) 4.00 2.50 2.50 ! 0.930085 5 HIS/SER 2.30 -2.98e-001 0 0 assign (resid 28 and name HB2) (resid 31 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 HIS/ALA 7.57 -4.57e+000 0 0 assign (resid 28 and name HB1) (resid 28 and name HD2) 4.00 2.50 2.50 ! 1.093795 5 HIS/HIS 3.90 9.79e-002 0 0 assign (resid 28 and name HB1) (resid 29 and name HN) 4.00 2.50 2.50 ! 0.956143 5 HIS/SER 3.19 -1.91e-001 0 0 assign (resid 28 and name HB1) (resid 29 and name HB1) 4.00 2.50 2.50 !B 1.030027 5 HIS/SER 5.78 -1.78e+000 0 2 assign (resid 28 and name HB1) (resid 29 and name HB2) 4.00 2.50 2.50 !B 1.030027 5 HIS/SER 5.00 -1.00e+000 0 2 assign (resid 28 and name HB1) (resid 31 and name HA) 4.00 2.50 2.50 !T 1.062189 5 HIS/ALA 7.13 -3.13e+000 0 0 assign (resid 28 and name HE1) (resid 28 and name HD2) 4.00 2.50 2.50 !T 1.098153 5 HIS/HIS 4.22 -2.23e-001 0 0 assign (resid 29 and name HN) (resid 29 and name HA) 4.00 2.50 2.50 ! 1.082496 5 SER/SER 2.80 2.03e-001 0 0 assign (resid 29 and name HN) (resid 30 and name HN) 4.00 2.50 2.50 !T 0.906236 5 SER/LEU 3.30 6.97e-001 0 0 assign (resid 29 and name HN) (resid 30 and name HA) 4.00 2.50 2.50 !T 1.083374 5 SER/LEU 5.69 -1.69e+000 0 0 assign (resid 29 and name HN) (resid 30 and name HB1) 4.00 2.50 2.50 !T 1.093908 5 SER/LEU 5.67 -1.67e+000 0 0 !assign (resid 29 and name HN) (resid 30 and name HD2#) 4.00 2.50 2.50 !TISPA 1.000000 2 SER/LEU 7.99 -4.99e+000 0 0 assign (resid 29 and name HN) (resid 31 and name HB#) 4.00 2.50 2.50 !T 1.088361 2 SER/ALA 7.08 -3.08e+000 0 0 assign (resid 29 and name HB1) (resid 30 and name HA) 4.00 2.50 2.50 !A 1.063929 5 SER/LEU 4.24 -2.43e-001 2 0 assign (resid 29 and name HB2) (resid 30 and name HA) 4.00 2.50 2.50 !A 1.063929 5 SER/LEU 5.60 -1.60e+000 2 0 assign (resid 29 and name HB1) (resid 30 and name HB1) 4.00 2.50 2.50 !A 1.002748 5 SER/LEU 4.55 -5.46e-001 2 0 assign (resid 29 and name HB2) (resid 30 and name HB1) 4.00 2.50 2.50 !A 1.002748 5 SER/LEU 6.21 -2.21e+000 2 0 !assign (resid 29 and name HB1) (resid 31 and name HB#) 4.00 2.50 2.50 !TA 1.088589 2 SER/ALA 7.59 -3.59e+000 2 0 !assign (resid 29 and name HB2) (resid 31 and name HB#) 4.00 2.50 2.50 !TA 1.088589 2 SER/ALA 8.16 -4.16e+000 2 0 assign (resid 30 and name HN) (resid 30 and name HA) 4.00 2.50 2.50 ! 1.071381 5 LEU/LEU 2.86 1.43e-001 0 0 assign (resid 30 and name HN) (resid 30 and name HB2) 4.00 2.50 2.50 !T 0.904074 5 LEU/LEU 2.29 -2.89e-001 0 0 assign (resid 30 and name HN) (resid 30 and name HB1) 4.00 2.50 2.50 !T 0.904291 5 LEU/LEU 2.84 1.58e-001 0 0 assign (resid 30 and name HN) (resid 30 and name HG) 4.00 2.50 2.50 ! 0.964362 5 LEU/LEU 4.24 -2.43e-001 0 0 assign (resid 30 and name HN) (resid 30 and name HD1#) 4.00 2.50 2.50 ! 1.067741 2 LEU/LEU 5.26 -1.26e+000 0 0 assign (resid 30 and name HN) (resid 30 and name HD2#) 4.00 2.50 2.50 ! 1.011838 2 LEU/LEU 5.19 -1.19e+000 0 0 assign (resid 30 and name HA) (resid 30 and name HB2) 4.00 2.50 2.50 ! 1.042233 5 LEU/LEU 2.63 -6.27e-001 0 0 assign (resid 30 and name HA) (resid 30 and name HB1) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/LEU 3.02 -1.02e+000 0 0 assign (resid 30 and name HA) (resid 30 and name HD1#) 4.00 2.50 2.50 ! 1.095376 2 LEU/LEU 4.63 -6.27e-001 0 0 assign (resid 30 and name HA) (resid 30 and name HD2#) 4.00 2.50 2.50 ! 1.066155 2 LEU/LEU 3.21 -2.12e-001 0 0 assign (resid 30 and name HA) (resid 31 and name HA) 4.00 2.50 2.50 !TISPA 1.000000 5 LEU/ALA 4.51 -2.51e+000 0 0 assign (resid 30 and name HB2) (resid 30 and name HB1) 4.00 2.50 2.50 !F 1.000000 5 LEU/LEU 1.78 2.20e-001 0 0 assign (resid 30 and name HB2) (resid 30 and name HG) 4.00 2.50 2.50 ! 1.052452 5 LEU/LEU 2.47 -4.67e-001 0 0 assign (resid 30 and name HB1) (resid 30 and name HD1#) 4.00 2.50 2.50 !T 1.098860 2 LEU/LEU 3.04 -3.60e-002 0 0 assign (resid 30 and name HB1) (resid 30 and name HD2#) 4.00 2.50 2.50 ! 1.070473 2 LEU/LEU 3.01 -1.46e-002 0 0 assign (resid 30 and name HG) (resid 30 and name HD1#) 4.00 2.50 2.50 !F 1.000000 2 LEU/LEU 2.82 1.77e-001 0 0 assign (resid 30 and name HG) (resid 30 and name HD2#) 4.00 2.50 2.50 !F 1.000000 2 LEU/LEU 2.82 1.82e-001 0 0 assign (resid 30 and name HD1#) (resid 31 and name HN) 4.00 2.50 2.50 ! 1.060074 2 LEU/ALA 6.15 -2.15e+000 0 0 assign (resid 30 and name HD2#) (resid 32 and name HG2#) 4.00 2.50 2.50 !T 1.091334 2 LEU/THR 6.67 -2.67e+000 0 0 assign (resid 31 and name HN) (resid 31 and name HA) 4.00 2.50 2.50 ! 0.914808 5 ALA/ALA 2.99 1.00e-002 0 0 assign (resid 31 and name HN) (resid 31 and name HB#) 4.00 2.50 2.50 !T 0.905760 2 ALA/ALA 3.05 -4.52e-002 0 0 assign (resid 31 and name HN) (resid 32 and name HG2#) 4.00 2.50 2.50 !T 1.089964 2 ALA/THR 6.98 -2.98e+000 0 0 assign (resid 31 and name HA) (resid 31 and name HB#) 4.00 2.50 2.50 ! 0.978039 2 ALA/ALA 2.82 1.76e-001 0 0 assign (resid 31 and name HA) (resid 32 and name HG2#) 4.00 2.50 2.50 !TISPA 1.000000 2 ALA/THR 7.11 -5.11e+000 0 0 !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ !Total restraints: 945 Iterations: 16 !CORMA converged: 691 ( 73.12%) Alpha: 40.86 !ISPA approximated: 254 ( 26.88%) Scale: 23239269.95 !Calculated: 945 ( 100.00%) VEO: 0.00
Contact the webmaster for help, if required. Friday, May 17, 2024 11:41:17 PM GMT (wattos1)