============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 13 1.040 31.811 10.671 9.444 -99.200 -91.000 TRP6 13 1.020 33.872 11.644 10.094 -99.200 -91.000 PHE 32 1.000 43.808 -12.589 23.577 -99.200 -91.000 PHE 36 1.000 45.781 -10.952 37.677 -99.200 -91.000 TYR 37 0.840 49.306 -7.365 37.851 -99.200 -91.000 TRP 48 1.040 43.716 -9.880 18.791 -99.200 -91.000 TRP6 48 1.020 41.774 -8.531 19.020 -99.200 -91.000 TRP 53 1.040 42.924 -0.158 19.161 -99.200 -91.000 TRP6 53 1.020 43.267 1.062 21.168 -99.200 -91.000 HIS 70 0.900 52.140 0.547 32.345 -99.200 -91.000 TYR 73 0.840 52.125 -4.010 35.356 -99.200 -91.000 TRP 91 1.040 48.135 15.799 23.705 -99.200 -91.000 TRP6 91 1.020 48.452 13.881 22.361 -99.200 -91.000 HIS 97 0.900 39.468 -2.571 33.108 -99.200 -91.000 HIS 105 0.900 44.707 -15.487 46.328 -99.200 -91.000 PHE 137 1.000 38.047 13.715 13.506 -99.200 -91.000 PHE 145 1.000 41.349 7.381 19.111 -99.200 -91.000 TYR 148 0.840 43.616 4.044 30.529 -99.200 -91.000 TYR 165 0.840 49.325 11.525 27.490 -99.200 -91.000 TYR 183 0.840 23.449 -6.772 33.382 -99.200 -91.000 PHE 192 1.000 26.615 10.944 31.080 -99.200 -91.000 TYR 196 0.840 37.629 9.373 43.394 -99.200 -91.000 PHE 201 1.000 34.695 15.077 29.679 -99.200 -91.000 TYR 204 0.840 31.024 18.674 25.284 -99.200 -91.000 TYR 212 0.840 25.821 15.543 17.773 -99.200 -91.000 TYR 218 0.840 20.977 12.628 29.907 -99.200 -91.000 PHE 220 1.000 23.222 13.098 35.512 -99.200 -91.000 TYR 225 0.840 35.168 1.438 44.302 -99.200 -91.000 HIS 230 0.900 36.265 7.029 36.823 -99.200 -91.000 TRP 233 1.040 43.244 9.799 32.210 -99.200 -91.000 TRP6 233 1.020 45.211 10.725 31.261 -99.200 -91.000 HIS 234 0.900 38.781 13.929 40.355 -99.200 -91.000 TYR 238 0.840 45.975 16.172 33.080 -99.200 -91.000 PHE 244 1.000 29.033 1.286 35.690 -99.200 -91.000 PHE 248 1.000 29.081 1.028 42.103 -99.200 -91.000 TYR 251 0.840 28.725 -3.379 39.571 -99.200 -91.000 HIS 256 0.900 35.842 -7.667 39.276 -99.200 -91.000 HIS 271 0.900 23.300 -0.530 27.802 -99.200 -91.000 PHE 275 1.000 27.137 3.059 27.783 -99.200 -91.000 TYR 282 0.840 35.542 12.913 24.622 -99.200 -91.000