============================================================================= 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 1 0.840 6.581 30.138 -32.303 -99.200 -91.000 TYR 17 0.840 -8.835 28.254 -15.567 -99.200 -91.000 PHE 18 1.000 -4.023 26.252 -9.369 -99.200 -91.000 PHE 20 1.000 -4.409 26.365 -20.499 -99.200 -91.000 TYR 27 0.840 7.247 27.939 -22.861 -99.200 -91.000 PHE 33 1.000 11.728 34.067 -8.986 -99.200 -91.000 PHE 53 1.000 4.943 35.261 -31.192 -99.200 -91.000 TYR 76 0.840 -0.089 42.995 -24.423 -99.200 -91.000 TYR 80 0.840 -8.984 33.726 -34.003 -99.200 -91.000 TYR 87 0.840 -9.398 34.506 -38.665 -99.200 -91.000 PHE 88 1.000 -0.992 36.382 -37.568 -99.200 -91.000 PHE 101 1.000 -1.327 30.502 -35.275 -99.200 -91.000 PHE 111 1.000 -10.584 42.641 -32.725 -99.200 -91.000 TYR 115 0.840 -8.559 44.282 -20.864 -99.200 -91.000 TYR 121 0.840 -13.525 47.182 -33.440 -99.200 -91.000 HIS 124 0.900 -18.668 49.659 -21.646 -99.200 -91.000 PHE 144 1.000 -17.134 25.249 -37.045 -99.200 -91.000 PHE 169 1.000 -3.225 41.077 -11.859 -99.200 -91.000 TRP 174 1.040 -6.283 30.998 -5.864 -99.200 -91.000 TRP6 174 1.020 -6.635 30.034 -3.734 -99.200 -91.000 TYR 179 0.840 -18.135 32.245 -10.121 -99.200 -91.000 PHE 186 1.000 -15.939 34.702 -13.381 -99.200 -91.000 TYR 191 0.840 -9.094 43.001 -6.041 -99.200 -91.000 TRP 199 1.040 0.501 42.188 -15.216 -99.200 -91.000 TRP6 199 1.020 1.459 42.019 -17.380 -99.200 -91.000 HIS 208 0.900 10.506 52.087 -11.921 -99.200 -91.000 PHE 214 1.000 4.061 48.803 -4.851 -99.200 -91.000 PHE 245 1.000 13.383 42.415 -17.195 -99.200 -91.000