============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 2 1.000 -5.047 2.336 -6.948 -99.200 -91.000 TYR 17 0.840 5.310 10.869 -26.702 -99.200 -91.000 TRP 28 1.040 -8.494 4.056 -30.459 -99.200 -91.000 TRP6 28 1.020 -8.506 3.699 -32.797 -99.200 -91.000 HIS 32 0.900 8.823 8.089 -30.923 -99.200 -91.000 TYR 49 0.840 -6.554 2.061 -38.042 -99.200 -91.000 TRP 70 1.040 -9.881 14.639 -35.211 -99.200 -91.000 TRP6 70 1.020 -9.511 16.090 -37.038 -99.200 -91.000 PHE 71 1.000 -2.889 10.713 -36.843 -99.200 -91.000 TYR 91 0.840 -7.446 17.248 -42.448 -99.200 -91.000 TYR 101 0.840 3.880 16.968 -27.343 -99.200 -91.000 TRP 112 1.040 -9.705 24.574 -30.239 -99.200 -91.000 TRP6 112 1.020 -9.312 26.902 -30.277 -99.200 -91.000 PHE 113 1.000 -3.694 22.277 -34.820 -99.200 -91.000 TYR 133 0.840 -6.892 31.717 -32.683 -99.200 -91.000 TYR 141 0.840 9.952 23.377 -27.432 -99.200 -91.000 PHE 144 1.000 1.142 16.238 -22.922 -99.200 -91.000 TRP 154 1.040 -7.774 26.570 -18.986 -99.200 -91.000 TRP6 154 1.020 -6.997 28.103 -17.361 -99.200 -91.000 PHE 155 1.000 -2.082 28.080 -24.249 -99.200 -91.000 PHE 175 1.000 -3.867 33.232 -15.576 -99.200 -91.000 TRP 196 1.040 -5.698 19.319 -10.428 -99.200 -91.000 TRP6 196 1.020 -4.702 19.187 -8.289 -99.200 -91.000 PHE 197 1.000 0.609 23.694 -13.532 -99.200 -91.000 PHE 217 1.000 -0.872 20.641 -3.962 -99.200 -91.000 HIS 227 0.900 5.200 12.880 -21.564 -99.200 -91.000 TRP 238 1.040 -4.402 7.722 -10.853 -99.200 -91.000 TRP6 238 1.020 -3.273 5.991 -9.712 -99.200 -91.000 PHE 239 1.000 2.443 12.514 -10.420 -99.200 -91.000 TRP 242 1.040 11.216 9.554 -19.666 -99.200 -91.000 TRP6 242 1.020 13.208 10.802 -19.454 -99.200 -91.000 TYR 259 0.840 0.521 3.382 -6.102 -99.200 -91.000 PHE 273 1.000 -10.118 6.445 -13.934 -99.200 -91.000 TRP 279 1.040 -6.363 1.402 -19.904 -99.200 -91.000 TRP6 279 1.020 -5.681 -0.642 -20.882 -99.200 -91.000 PHE 280 1.000 1.868 2.918 -16.802 -99.200 -91.000