============================================================================= 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. PHE 28 1.000 -21.534 74.876 14.422 -99.200 -91.000 TRP 29 1.040 -14.043 71.664 20.893 -99.200 -91.000 TRP6 29 1.020 -14.222 73.513 22.353 -99.200 -91.000 HIS 35 0.900 -3.394 67.298 7.110 -99.200 -91.000 PHE 42 1.000 -12.275 69.029 8.331 -99.200 -91.000 PHE 60 1.000 -8.377 55.969 13.243 -99.200 -91.000 PHE 63 1.000 -17.655 60.004 6.952 -99.200 -91.000 HIS 73 0.900 -10.935 56.841 17.189 -99.200 -91.000 TYR 80 0.840 -19.895 61.251 11.616 -99.200 -91.000 HIS 92 0.900 -23.702 68.147 24.730 -99.200 -91.000 HIS 94 0.900 -19.187 69.732 20.019 -99.200 -91.000 PHE 97 1.000 -18.537 66.831 7.647 -99.200 -91.000 PHE 99 1.000 -24.170 65.508 2.883 -99.200 -91.000 TYR 107 0.840 -18.090 63.861 15.656 -99.200 -91.000 PHE 113 1.000 -12.459 62.736 25.770 -99.200 -91.000 HIS 117 0.900 -6.170 63.179 11.860 -99.200 -91.000 TYR 119 0.840 -3.812 63.097 6.154 -99.200 -91.000 PHE 142 1.000 -5.322 39.182 15.549 -99.200 -91.000 PHE 171 1.000 -10.306 42.412 19.345 -99.200 -91.000 TYR 175 0.840 -16.745 44.235 21.510 -99.200 -91.000 PHE 181 1.000 -15.803 34.209 30.956 -99.200 -91.000 HIS 203 0.900 -6.467 34.279 15.295 -99.200 -91.000 TYR 224 0.840 -23.169 51.242 19.033 -99.200 -91.000 PHE 234 1.000 -21.218 40.356 21.802 -99.200 -91.000 HIS 236 0.900 -29.617 42.496 25.800 -99.200 -91.000 HIS 237 0.900 -25.903 37.448 22.788 -99.200 -91.000 TYR 239 0.840 -19.686 34.341 27.967 -99.200 -91.000 TYR 241 0.840 -17.472 47.013 29.692 -99.200 -91.000 HIS 266 0.900 -15.329 45.391 33.618 -99.200 -91.000 TYR 267 0.840 -10.352 39.666 37.695 -99.200 -91.000