============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 15 0.840 64.456 43.078 -9.724 -99.200 -91.000 PHE 29 1.000 57.469 52.148 -9.122 -99.200 -91.000 HIS 35 0.900 61.431 40.275 -11.467 -99.200 -91.000 TYR 43 0.840 46.314 52.682 -10.306 -99.200 -91.000 PHE 44 1.000 50.782 48.063 -8.177 -99.200 -91.000 TYR 48 0.840 63.287 54.638 2.969 -99.200 -91.000 TRP 57 1.040 54.528 55.304 0.760 -99.200 -91.000 TRP6 57 1.020 54.069 53.285 -0.331 -99.200 -91.000 TRP 73 1.040 70.971 51.771 -0.714 -99.200 -91.000 TRP6 73 1.020 71.562 52.932 -2.707 -99.200 -91.000 HIS 74 0.900 65.660 43.303 1.908 -99.200 -91.000 PHE 75 1.000 64.900 50.289 -1.440 -99.200 -91.000 PHE 77 1.000 55.601 46.469 -6.830 -99.200 -91.000 PHE 81 1.000 49.392 57.315 -4.778 -99.200 -91.000 TYR 82 0.840 45.673 49.620 -0.887 -99.200 -91.000 TYR 96 0.840 48.240 37.138 -9.112 -99.200 -91.000 TYR 97 0.840 52.006 41.995 -10.247 -99.200 -91.000 PHE 115 1.000 32.787 32.727 9.855 -99.200 -91.000 TYR 124 0.840 34.421 35.559 -4.679 -99.200 -91.000 TYR 133 0.840 35.316 20.390 -3.422 -99.200 -91.000 TYR 142 0.840 40.290 22.036 -0.908 -99.200 -91.000 PHE 146 1.000 45.206 28.790 -0.855 -99.200 -91.000 PHE 148 1.000 41.639 30.902 3.320 -99.200 -91.000 HIS 152 0.900 43.250 29.802 8.389 -99.200 -91.000 HIS 164 0.900 37.393 25.757 -4.148 -99.200 -91.000 HIS 167 0.900 32.879 31.257 -5.110 -99.200 -91.000 HIS 178 0.900 32.402 37.703 -8.945 -99.200 -91.000 PHE 179 1.000 40.601 39.256 -2.496 -99.200 -91.000 TYR 189 0.840 40.132 49.177 -1.672 -99.200 -91.000 HIS 194 0.900 50.411 58.076 8.385 -99.200 -91.000 HIS 195 0.900 49.360 54.482 16.129 -99.200 -91.000 TYR 216 0.840 39.304 55.101 11.122 -99.200 -91.000 PHE 223 1.000 37.634 66.894 8.353 -99.200 -91.000 TRP 225 1.040 41.599 63.595 -1.217 -99.200 -91.000 TRP6 225 1.020 43.134 64.221 0.459 -99.200 -91.000 TYR 233 0.840 56.084 69.415 7.226 -99.200 -91.000 PHE 238 1.000 48.117 66.317 8.425 -99.200 -91.000 TYR 239 0.840 49.106 72.956 12.380 -99.200 -91.000 PHE 247 1.000 23.737 78.043 3.405 -99.200 -91.000 PHE 250 1.000 33.300 78.956 9.923 -99.200 -91.000 PHE 256 1.000 43.786 66.093 13.489 -99.200 -91.000 HIS 261 0.900 59.970 67.834 10.798 -99.200 -91.000 TRP 268 1.040 52.449 68.426 4.081 -99.200 -91.000 TRP6 268 1.020 54.245 68.480 2.545 -99.200 -91.000 HIS 274 0.900 46.995 58.327 -0.508 -99.200 -91.000 HIS 275 0.900 44.512 67.655 -3.621 -99.200 -91.000 PHE 277 1.000 47.259 57.746 -8.421 -99.200 -91.000 PHE 278 1.000 43.465 57.836 -5.229 -99.200 -91.000