============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 5 0.840 1.513 11.440 48.375 -99.200 -91.000 TYR 15 0.840 16.367 16.242 38.657 -99.200 -91.000 PHE 16 1.000 13.164 20.598 39.721 -99.200 -91.000 HIS 20 0.900 20.155 26.086 49.414 -99.200 -91.000 PHE 30 1.000 0.874 26.099 44.866 -99.200 -91.000 TRP 37 1.040 -9.215 30.082 51.412 -99.200 -91.000 TRP6 37 1.020 -10.886 31.708 51.734 -99.200 -91.000 PHE 53 1.000 2.414 26.345 39.968 -99.200 -91.000 TYR 54 0.840 2.048 21.222 42.795 -99.200 -91.000 PHE 55 1.000 -2.752 17.447 36.881 -99.200 -91.000 PHE 58 1.000 3.549 17.214 38.716 -99.200 -91.000 PHE 61 1.000 9.717 19.720 36.488 -99.200 -91.000 PHE 82 1.000 -8.651 18.677 42.257 -99.200 -91.000 PHE 83 1.000 -9.350 15.806 38.111 -99.200 -91.000 PHE 93 1.000 -8.266 20.364 36.396 -99.200 -91.000 TYR 99 0.840 -12.087 24.461 26.179 -99.200 -91.000 PHE 121 1.000 -19.248 31.576 37.433 -99.200 -91.000 TYR 129 0.840 -24.591 39.084 34.525 -99.200 -91.000 TYR 139 0.840 -15.125 45.597 20.573 -99.200 -91.000 PHE 140 1.000 -13.825 40.161 21.228 -99.200 -91.000 HIS 144 0.900 -21.265 34.379 11.136 -99.200 -91.000 PHE 154 1.000 -15.274 28.275 29.239 -99.200 -91.000 TRP 161 1.040 -18.589 17.954 35.814 -99.200 -91.000 TRP6 161 1.020 -18.035 15.806 36.618 -99.200 -91.000 PHE 177 1.000 -10.841 30.760 28.467 -99.200 -91.000 TYR 178 0.840 -15.640 33.425 30.576 -99.200 -91.000 PHE 179 1.000 -11.565 36.764 37.292 -99.200 -91.000 PHE 182 1.000 -13.785 38.966 31.416 -99.200 -91.000 PHE 185 1.000 -11.139 40.667 25.271 -99.200 -91.000 PHE 206 1.000 -15.383 30.961 41.369 -99.200 -91.000 PHE 207 1.000 -13.143 34.600 43.590 -99.200 -91.000 PHE 217 1.000 -9.510 32.213 41.026 -99.200 -91.000 TYR 223 0.840 1.656 31.783 44.036 -99.200 -91.000 HIS 236 0.900 10.025 22.917 51.146 -99.200 -91.000 PHE 250 1.000 17.452 21.301 37.450 -99.200 -91.000