============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 23 0.840 -13.545 35.754 22.625 -99.200 -91.000 PHE 32 1.000 -12.844 25.132 25.254 -99.200 -91.000 TYR 41 0.840 -12.642 13.999 5.556 -99.200 -91.000 PHE 62 1.000 -24.282 12.668 30.505 -99.200 -91.000 TRP 63 1.040 -20.122 12.526 27.516 -99.200 -91.000 TRP6 63 1.020 -20.625 10.309 28.049 -99.200 -91.000 PHE 64 1.000 -15.398 18.515 30.747 -99.200 -91.000 PHE 66 1.000 -20.729 8.415 33.166 -99.200 -91.000 HIS 74 0.900 -11.960 22.242 30.063 -99.200 -91.000 PHE 85 1.000 -23.561 34.817 29.788 -99.200 -91.000 TYR 87 0.840 -18.056 32.681 38.485 -99.200 -91.000 TYR 97 0.840 -20.945 42.401 23.356 -99.200 -91.000 HIS 109 0.900 -9.680 26.546 36.796 -99.200 -91.000 HIS 111 0.900 -5.703 22.819 33.857 -99.200 -91.000 TYR 123 0.840 -17.251 -1.171 19.668 -99.200 -91.000 TRP 129 1.040 -11.776 -1.276 8.122 -99.200 -91.000 TRP6 129 1.020 -11.597 -3.525 8.799 -99.200 -91.000 TYR 132 0.840 -7.083 -5.681 11.746 -99.200 -91.000 HIS 139 0.900 -3.290 5.631 16.120 -99.200 -91.000 PHE 153 1.000 -9.414 -2.070 17.988 -99.200 -91.000 PHE 158 1.000 -2.585 6.779 24.238 -99.200 -91.000 HIS 166 0.900 -5.202 16.940 6.881 -99.200 -91.000 TYR 195 0.840 -14.013 3.647 24.574 -99.200 -91.000 TYR 201 0.840 -24.352 6.820 30.623 -99.200 -91.000 PHE 214 1.000 -11.704 10.422 26.491 -99.200 -91.000 PHE 216 1.000 -6.577 12.328 29.104 -99.200 -91.000 PHE 239 1.000 -20.989 9.746 20.670 -99.200 -91.000 TRP 240 1.040 -20.494 3.517 14.877 -99.200 -91.000 TRP6 240 1.020 -18.836 1.888 14.980 -99.200 -91.000 TYR 245 0.840 -21.314 -3.343 16.319 -99.200 -91.000 TYR 254 0.840 -27.295 7.325 15.072 -99.200 -91.000 PHE 258 1.000 -25.203 12.754 7.258 -99.200 -91.000 TRP 262 1.040 -23.326 14.989 1.556 -99.200 -91.000 TRP6 262 1.020 -22.469 17.114 1.099 -99.200 -91.000 TYR 288 0.840 -22.653 16.432 15.514 -99.200 -91.000 TYR 292 0.840 -27.884 16.760 24.814 -99.200 -91.000 TRP 300 1.040 -31.601 20.188 20.925 -99.200 -91.000 TRP6 300 1.020 -29.498 20.953 21.489 -99.200 -91.000