============================================================================= 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. TYR 7 0.840 -13.282 0.239 77.827 -99.200 -91.000 HIS 19 0.900 -4.164 4.912 88.650 -99.200 -91.000 TRP 38 1.040 -18.114 -3.321 72.866 -99.200 -91.000 TRP6 38 1.020 -16.314 -1.780 72.968 -99.200 -91.000 PHE 42 1.000 -14.852 4.281 72.298 -99.200 -91.000 HIS 58 0.900 -1.035 14.981 69.414 -99.200 -91.000 TYR 68 0.840 4.136 6.630 83.549 -99.200 -91.000 HIS 74 0.900 3.160 4.024 70.196 -99.200 -91.000 PHE 83 1.000 -13.984 4.421 66.075 -99.200 -91.000 PHE 88 1.000 -19.435 3.170 63.589 -99.200 -91.000 PHE 154 1.000 5.284 17.447 51.431 -99.200 -91.000 PHE 189 1.000 -1.869 16.859 44.722 -99.200 -91.000 HIS 192 0.900 2.006 21.810 44.372 -99.200 -91.000 HIS 203 0.900 19.046 13.128 43.488 -99.200 -91.000 PHE 224 1.000 10.096 9.427 45.055 -99.200 -91.000 PHE 232 1.000 12.211 12.503 31.677 -99.200 -91.000 PHE 233 1.000 10.648 8.091 30.185 -99.200 -91.000 PHE 246 1.000 16.724 28.881 40.106 -99.200 -91.000 PHE 250 1.000 14.342 32.656 31.213 -99.200 -91.000 HIS 265 0.900 -0.402 38.109 28.508 -99.200 -91.000 PHE 266 1.000 8.646 33.432 31.067 -99.200 -91.000 HIS 272 0.900 4.025 43.319 36.704 -99.200 -91.000 TYR 280 0.840 17.629 38.757 55.642 -99.200 -91.000 TYR 286 0.840 6.097 41.880 48.207 -99.200 -91.000 TYR 287 0.840 11.014 36.460 44.251 -99.200 -91.000 HIS 300 0.900 -9.994 25.726 40.004 -99.200 -91.000 PHE 308 1.000 -5.653 24.606 54.678 -99.200 -91.000 HIS 312 0.900 -2.117 32.425 49.557 -99.200 -91.000