============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 20 0.840 24.025 18.907 -6.816 -99.200 -91.000 HIS 41 0.900 20.485 12.821 1.064 -99.200 -91.000 HIS 47 0.900 27.760 21.820 11.310 -99.200 -91.000 PHE 56 1.000 22.524 24.294 20.421 -99.200 -91.000 PHE 60 1.000 28.353 20.592 20.788 -99.200 -91.000 TRP 61 1.040 23.259 19.125 12.885 -99.200 -91.000 TRP6 61 1.020 21.522 17.756 13.702 -99.200 -91.000 TYR 64 0.840 15.735 18.138 19.203 -99.200 -91.000 TYR 69 0.840 13.106 20.670 -0.565 -99.200 -91.000 HIS 94 0.900 23.371 14.800 6.391 -99.200 -91.000 TYR 95 0.840 18.550 19.922 10.368 -99.200 -91.000 PHE 109 1.000 10.872 20.277 -10.613 -99.200 -91.000 TYR 114 0.840 17.219 23.508 -10.962 -99.200 -91.000 PHE 118 1.000 18.618 24.933 2.576 -99.200 -91.000 TYR 119 0.840 10.881 29.392 2.319 -99.200 -91.000 PHE 128 1.000 17.028 22.109 22.126 -99.200 -91.000 HIS 131 0.900 18.662 25.243 31.700 -99.200 -91.000 TRP 141 1.040 15.537 29.035 20.659 -99.200 -91.000 TRP6 141 1.020 17.559 28.102 19.806 -99.200 -91.000 PHE 142 1.000 16.725 30.628 14.332 -99.200 -91.000 PHE 145 1.000 17.535 32.119 9.437 -99.200 -91.000 TYR 149 0.840 22.181 28.398 0.220 -99.200 -91.000 PHE 151 1.000 21.453 24.158 -7.203 -99.200 -91.000 TYR 153 0.840 20.569 18.451 -11.343 -99.200 -91.000