============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 8 1.040 -101.968 16.618 32.811 -99.200 -91.000 TRP6 8 1.020 -99.751 16.287 33.556 -99.200 -91.000 PHE 45 1.000 -93.815 19.982 27.497 -99.200 -91.000 TYR 47 0.840 -93.775 14.710 24.816 -99.200 -91.000 PHE 55 1.000 -96.864 8.621 14.431 -99.200 -91.000 TYR 61 0.840 -91.908 5.522 4.243 -99.200 -91.000 PHE 66 1.000 -96.400 13.356 12.558 -99.200 -91.000 PHE 71 1.000 -111.470 19.663 14.668 -99.200 -91.000 PHE 72 1.000 -109.780 21.793 22.551 -99.200 -91.000 HIS 91 0.900 -108.412 21.215 35.962 -99.200 -91.000 PHE 108 1.000 -106.820 25.264 31.366 -99.200 -91.000 TYR 115 0.840 -104.504 33.311 18.744 -99.200 -91.000 PHE 117 1.000 -113.179 29.374 15.014 -99.200 -91.000 TYR 127 0.840 -102.135 30.140 9.112 -99.200 -91.000 TYR 129 0.840 -95.963 29.461 10.351 -99.200 -91.000 HIS 133 0.900 -84.163 19.792 16.709 -99.200 -91.000 TYR 134 0.840 -86.317 9.994 15.146 -99.200 -91.000 HIS 139 0.900 -77.996 7.777 21.317 -99.200 -91.000 PHE 142 1.000 -84.990 14.367 10.065 -99.200 -91.000 TYR 161 0.840 -113.330 28.342 22.210 -99.200 -91.000 TRP 167 1.040 -95.084 17.417 15.397 -99.200 -91.000 TRP6 167 1.020 -97.227 17.245 16.374 -99.200 -91.000 TRP 169 1.040 -89.360 13.928 7.853 -99.200 -91.000 TRP6 169 1.020 -90.612 12.994 9.625 -99.200 -91.000 PHE 189 1.000 -93.805 24.284 18.724 -99.200 -91.000 PHE 191 1.000 -98.786 25.704 20.539 -99.200 -91.000 TYR 192 0.840 -94.773 30.459 25.274 -99.200 -91.000 TYR 193 0.840 -103.426 28.656 23.144 -99.200 -91.000