============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 -35.259 4.276 94.344 -99.200 -91.000 HIS 23 0.900 -44.154 -5.985 80.150 -99.200 -91.000 TYR 26 0.840 -31.487 -1.638 83.191 -99.200 -91.000 PHE 27 1.000 -37.849 1.021 87.870 -99.200 -91.000 HIS 30 0.900 -33.489 11.959 89.338 -99.200 -91.000 TYR 38 0.840 -43.735 24.659 97.341 -99.200 -91.000 PHE 42 1.000 -38.129 31.146 99.634 -99.200 -91.000 PHE 60 1.000 -32.611 4.054 99.201 -99.200 -91.000 TYR 62 0.840 -26.905 8.976 107.619 -99.200 -91.000 TRP 67 1.040 -30.499 16.742 96.109 -99.200 -91.000 TRP6 67 1.020 -29.355 16.436 94.052 -99.200 -91.000 HIS 77 0.900 -33.066 23.894 113.443 -99.200 -91.000 PHE 89 1.000 -41.723 9.707 94.445 -99.200 -91.000 PHE 90 1.000 -39.873 1.700 93.196 -99.200 -91.000 HIS 94 0.900 -44.179 10.406 79.071 -99.200 -91.000 TYR 95 0.840 -49.433 1.553 79.969 -99.200 -91.000 TYR 105 0.840 -47.009 8.322 96.803 -99.200 -91.000 TYR 106 0.840 -43.360 -0.228 97.541 -99.200 -91.000 TYR 124 0.840 -35.189 26.236 111.620 -99.200 -91.000 HIS 132 0.900 -45.121 25.352 101.135 -99.200 -91.000 TYR 149 0.840 -54.126 21.634 112.824 -99.200 -91.000 PHE 152 1.000 -49.199 26.162 108.196 -99.200 -91.000 PHE 160 1.000 -52.034 23.109 103.210 -99.200 -91.000 TRP 169 1.040 -55.633 13.149 101.941 -99.200 -91.000 TRP6 169 1.020 -55.532 14.817 103.618 -99.200 -91.000 PHE 185 1.000 -53.102 27.010 112.364 -99.200 -91.000 HIS 186 0.900 -55.256 35.414 106.094 -99.200 -91.000 PHE 189 1.000 -47.070 34.149 99.347 -99.200 -91.000 PHE 213 1.000 -59.479 26.999 97.868 -99.200 -91.000 TYR 216 0.840 -61.291 29.393 104.092 -99.200 -91.000 TYR 232 0.840 -57.823 33.691 90.597 -99.200 -91.000 TYR 233 0.840 -52.001 40.713 92.265 -99.200 -91.000 TYR 238 0.840 -50.301 37.922 84.690 -99.200 -91.000 TYR 239 0.840 -53.664 31.944 81.119 -99.200 -91.000 TYR 243 0.840 -43.149 29.926 78.164 -99.200 -91.000 PHE 261 1.000 -46.449 33.893 93.193 -99.200 -91.000 TYR 265 0.840 -44.847 38.652 98.488 -99.200 -91.000 TYR 266 0.840 -41.462 36.188 101.358 -99.200 -91.000 PHE 269 1.000 -38.215 39.056 90.173 -99.200 -91.000 TYR 277 0.840 -38.497 36.536 85.782 -99.200 -91.000 PHE 304 1.000 -38.317 29.373 79.078 -99.200 -91.000