============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 18 0.840 3.989 165.859 44.549 -99.200 -91.000 PHE 22 1.000 13.014 166.044 45.850 -99.200 -91.000 PHE 43 1.000 26.534 184.548 43.391 -99.200 -91.000 PHE 82 1.000 44.431 174.570 38.049 -99.200 -91.000 TRP 86 1.040 46.174 171.193 32.862 -99.200 -91.000 TRP6 86 1.020 45.768 170.759 30.569 -99.200 -91.000 TYR 95 0.840 41.670 177.210 25.279 -99.200 -91.000 TRP 99 1.040 44.361 182.235 38.940 -99.200 -91.000 TRP6 99 1.020 45.794 182.883 37.172 -99.200 -91.000 PHE 105 1.000 46.223 179.259 51.075 -99.200 -91.000 TYR 116 0.840 35.171 183.422 46.248 -99.200 -91.000 TYR 125 0.840 27.834 183.932 27.837 -99.200 -91.000 TRP 138 1.040 44.173 168.119 40.921 -99.200 -91.000 TRP6 138 1.020 45.615 169.016 42.573 -99.200 -91.000 TRP 147 1.040 26.778 172.996 45.187 -99.200 -91.000 TRP6 147 1.020 25.857 171.268 46.523 -99.200 -91.000 PHE 151 1.000 22.055 171.888 44.071 -99.200 -91.000 PHE 152 1.000 24.509 178.923 42.351 -99.200 -91.000 PHE 165 1.000 42.966 167.194 33.585 -99.200 -91.000 TYR 169 0.840 32.346 164.837 39.230 -99.200 -91.000 TRP 181 1.040 34.119 168.358 59.221 -99.200 -91.000 TRP6 181 1.020 33.230 166.674 60.629 -99.200 -91.000 TYR 209 0.840 38.134 157.665 37.008 -99.200 -91.000 TYR 229 0.840 30.771 156.213 35.020 -99.200 -91.000 PHE 231 1.000 25.149 157.136 36.134 -99.200 -91.000 PHE 246 1.000 49.885 156.058 33.105 -99.200 -91.000 HIS 250 0.900 43.883 164.262 43.933 -99.200 -91.000 PHE 258 1.000 46.204 158.686 29.775 -99.200 -91.000 TYR 260 0.840 49.435 169.042 26.496 -99.200 -91.000 TYR 279 0.840 42.248 158.957 25.096 -99.200 -91.000