============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 -23.457 48.723 55.429 -99.200 -91.000 PHE 29 1.000 -19.055 53.634 55.620 -99.200 -91.000 TYR 32 0.840 -25.760 49.662 60.172 -99.200 -91.000 TYR 33 0.840 -21.262 53.234 67.161 -99.200 -91.000 TRP 36 1.040 -10.705 48.374 60.511 -99.200 -91.000 TRP6 36 1.020 -10.238 47.109 58.573 -99.200 -91.000 TRP 47 1.040 -13.491 46.037 68.773 -99.200 -91.000 TRP6 47 1.020 -12.754 47.846 70.095 -99.200 -91.000 PHE 50 1.000 -16.304 51.736 68.938 -99.200 -91.000 TYR 58 0.840 -18.954 59.966 60.314 -99.200 -91.000 TYR 62 0.840 -7.894 53.982 67.420 -99.200 -91.000 PHE 70 1.000 -2.053 48.239 64.053 -99.200 -91.000 TYR 82 0.840 -9.775 54.188 53.334 -99.200 -91.000 TYR 96 0.840 -4.702 42.832 60.899 -99.200 -91.000 TYR 97 0.840 -11.862 37.811 59.509 -99.200 -91.000 TYR 106 0.840 -33.143 56.203 60.034 -99.200 -91.000 TYR 109 0.840 -28.546 49.777 69.638 -99.200 -91.000 PHE 112 1.000 -18.609 43.776 66.097 -99.200 -91.000 TYR 114 0.840 -25.187 41.699 56.981 -99.200 -91.000 TRP 115 1.040 -18.449 39.321 61.407 -99.200 -91.000 TRP6 115 1.020 -16.632 39.427 62.909 -99.200 -91.000 TYR 134 0.840 7.844 19.608 42.463 -99.200 -91.000 TYR 152 0.840 2.657 28.061 49.776 -99.200 -91.000 PHE 153 1.000 7.208 34.088 54.018 -99.200 -91.000 TRP 161 1.040 -8.111 19.407 43.125 -99.200 -91.000 TRP6 161 1.020 -6.460 18.196 41.952 -99.200 -91.000 TYR 163 0.840 -10.125 25.605 34.518 -99.200 -91.000 PHE 181 1.000 11.768 28.967 50.630 -99.200 -91.000 TYR 182 0.840 3.944 29.298 55.600 -99.200 -91.000 TRP 195 1.040 -6.387 10.908 35.633 -99.200 -91.000 TRP6 195 1.020 -4.588 9.631 36.473 -99.200 -91.000 HIS 206 0.900 2.321 32.769 46.835 -99.200 -91.000