============================================================================= 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 30 0.840 20.254 -56.633 1.719 -99.200 -91.000 TRP 33 1.040 25.478 -47.713 8.939 -99.200 -91.000 TRP6 33 1.020 24.458 -46.163 10.396 -99.200 -91.000 TYR 34 0.840 27.311 -44.003 1.627 -99.200 -91.000 TYR 47 0.840 29.447 -54.033 0.555 -99.200 -91.000 PHE 60 1.000 35.591 -46.752 10.793 -99.200 -91.000 TYR 84 0.840 31.287 -41.205 11.266 -99.200 -91.000 TYR 85 0.840 25.654 -37.373 6.327 -99.200 -91.000 TRP 89 1.040 15.589 -49.471 -3.522 -99.200 -91.000 TRP6 89 1.020 16.068 -47.703 -4.999 -99.200 -91.000 TYR 94 0.840 13.105 -41.240 -1.604 -99.200 -91.000 PHE 97 1.000 22.569 -40.621 0.937 -99.200 -91.000 PHE 115 1.000 39.761 0.801 9.089 -99.200 -91.000 PHE 136 1.000 34.221 -12.674 18.193 -99.200 -91.000 TYR 137 0.840 36.577 -20.068 22.762 -99.200 -91.000 TRP 145 1.040 26.197 -1.010 13.075 -99.200 -91.000 TRP6 145 1.020 28.129 0.062 12.274 -99.200 -91.000 TYR 169 0.840 34.963 -19.062 16.941 -99.200 -91.000 TYR 174 0.840 31.349 -4.811 5.667 -99.200 -91.000 TRP 182 1.040 30.360 10.363 6.834 -99.200 -91.000 TRP6 182 1.020 31.016 9.442 8.902 -99.200 -91.000 HIS 185 0.900 22.683 11.490 11.769 -99.200 -91.000 TYR 188 0.840 25.837 7.384 11.516 -99.200 -91.000 HIS 194 0.900 33.227 -12.202 23.751 -99.200 -91.000