============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 29 1.000 33.499 -1.010 36.455 -99.200 -91.000 HIS 40 0.900 23.527 -15.409 53.019 -99.200 -91.000 HIS 62 0.900 23.250 -12.598 68.597 -99.200 -91.000 TYR 72 0.840 32.430 2.192 58.802 -99.200 -91.000 HIS 73 0.900 30.458 -3.039 65.562 -99.200 -91.000 HIS 144 0.900 13.342 0.102 36.342 -99.200 -91.000 PHE 171 1.000 0.798 -19.281 37.909 -99.200 -91.000 TRP 174 1.040 -1.903 -20.666 33.303 -99.200 -91.000 TRP6 174 1.020 -1.830 -21.981 35.275 -99.200 -91.000 HIS 181 0.900 -8.561 -24.869 39.992 -99.200 -91.000 HIS 190 0.900 10.315 -24.291 42.696 -99.200 -91.000 TRP 193 1.040 22.030 -20.589 44.625 -99.200 -91.000 TRP6 193 1.020 24.003 -19.374 45.077 -99.200 -91.000 HIS 217 0.900 5.631 9.205 37.419 -99.200 -91.000 PHE 220 1.000 14.325 5.670 32.893 -99.200 -91.000 TYR 224 0.840 2.873 6.247 37.720 -99.200 -91.000 HIS 232 0.900 10.111 -10.545 24.044 -99.200 -91.000 HIS 238 0.900 16.643 -8.071 28.277 -99.200 -91.000 PHE 243 1.000 12.815 7.876 21.017 -99.200 -91.000 TRP 267 1.040 24.672 6.099 32.523 -99.200 -91.000 TRP6 267 1.020 23.412 4.858 30.952 -99.200 -91.000 PHE 280 1.000 20.110 -11.079 15.622 -99.200 -91.000 HIS 281 0.900 26.242 -16.479 12.984 -99.200 -91.000 TRP 286 1.040 13.726 -11.730 19.494 -99.200 -91.000 TRP6 286 1.020 14.980 -9.828 18.854 -99.200 -91.000 PHE 288 1.000 7.628 -7.728 21.197 -99.200 -91.000 PHE 296 1.000 -2.181 -12.725 34.834 -99.200 -91.000 TYR 316 0.840 1.275 -2.111 43.767 -99.200 -91.000 PHE 327 1.000 0.120 -18.473 46.405 -99.200 -91.000 PHE 334 1.000 -0.936 -16.112 41.546 -99.200 -91.000 HIS 346 0.900 -9.203 0.129 45.363 -99.200 -91.000 TRP 351 1.040 -1.288 5.676 55.120 -99.200 -91.000 TRP6 351 1.020 0.130 6.594 56.784 -99.200 -91.000 TRP 367 1.040 -3.318 2.542 57.830 -99.200 -91.000 TRP6 367 1.020 -4.098 1.919 55.682 -99.200 -91.000