============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 -5.622 -81.467 80.442 -99.200 -91.000 HIS 7 0.900 0.190 -76.864 72.143 -99.200 -91.000 PHE 9 1.000 4.218 -74.842 72.222 -99.200 -91.000 PHE 14 1.000 -1.566 -77.347 81.807 -99.200 -91.000 PHE 23 1.000 -10.532 -90.976 78.520 -99.200 -91.000 PHE 35 1.000 -21.906-104.355 73.894 -99.200 -91.000 PHE 49 1.000 -25.977-115.810 68.200 -99.200 -91.000 PHE 64 1.000 -13.275-104.652 62.546 -99.200 -91.000 HIS 73 0.900 -19.557 -91.153 54.140 -99.200 -91.000 HIS 102 0.900 -25.154-103.463 67.690 -99.200 -91.000 PHE 103 1.000 -31.106-111.140 68.218 -99.200 -91.000 HIS 132 0.900 4.783 -93.117 94.249 -99.200 -91.000 HIS 146 0.900 11.791 -81.656 113.042 -99.200 -91.000 TYR 152 0.840 1.226 -66.398 106.887 -99.200 -91.000 TRP 170 1.040 -1.069 -79.288 102.060 -99.200 -91.000 TRP6 170 1.020 1.238 -79.108 102.463 -99.200 -91.000 HIS 177 0.900 -10.702 -86.221 98.020 -99.200 -91.000 PHE 184 1.000 -18.190 -94.468 90.776 -99.200 -91.000 PHE 189 1.000 -15.345 -97.553 87.075 -99.200 -91.000 PHE 193 1.000 -27.628-106.473 76.264 -99.200 -91.000 TRP 226 1.040 -25.916 -97.700 82.859 -99.200 -91.000 TRP6 226 1.020 -24.284 -96.182 82.087 -99.200 -91.000 HIS 227 0.900 -30.193 -97.468 76.786 -99.200 -91.000 PHE 236 1.000 -14.799 -91.841 87.476 -99.200 -91.000 PHE 250 1.000 0.934 -80.221 97.625 -99.200 -91.000 PHE 281 1.000 -10.580 -78.327 82.245 -99.200 -91.000 HIS 290 0.900 -23.753 -82.674 89.430 -99.200 -91.000 TRP 304 1.040 -24.715 -90.711 75.258 -99.200 -91.000 TRP6 304 1.020 -25.061 -91.935 73.250 -99.200 -91.000 TRP 308 1.040 -20.637 -88.976 73.813 -99.200 -91.000 TRP6 308 1.020 -21.410 -89.258 71.600 -99.200 -91.000