============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 5 1.000 28.209 -8.064 -40.206 -99.200 -91.000 PHE 11 1.000 29.607 -20.726 -45.269 -99.200 -91.000 TYR 27 0.840 34.283 -21.195 -30.091 -99.200 -91.000 HIS 33 0.900 26.979 -27.924 -36.053 -99.200 -91.000 TRP 35 1.040 29.606 -23.778 -26.804 -99.200 -91.000 TRP6 35 1.020 31.300 -22.946 -25.389 -99.200 -91.000 HIS 55 0.900 9.499 -7.434 -21.894 -99.200 -91.000 TYR 57 0.840 10.218 3.463 -23.386 -99.200 -91.000 PHE 66 1.000 25.926 -4.138 -19.901 -99.200 -91.000 PHE 105 1.000 31.594 13.757 -24.565 -99.200 -91.000 TRP 109 1.040 28.786 17.850 -25.768 -99.200 -91.000 TRP6 109 1.020 27.984 20.018 -25.331 -99.200 -91.000 TYR 110 0.840 39.015 15.588 -27.090 -99.200 -91.000 TYR 121 0.840 47.245 10.462 -35.882 -99.200 -91.000 TRP 127 1.040 35.779 -3.998 -37.194 -99.200 -91.000 TRP6 127 1.020 34.175 -2.702 -36.059 -99.200 -91.000 HIS 130 0.900 38.539 0.635 -35.024 -99.200 -91.000 PHE 134 1.000 36.228 7.103 -34.003 -99.200 -91.000 PHE 139 1.000 35.674 13.255 -34.501 -99.200 -91.000 TYR 145 0.840 47.757 3.590 -34.312 -99.200 -91.000 TYR 147 0.840 49.307 -2.522 -34.164 -99.200 -91.000 TRP 148 1.040 51.108 -6.599 -41.012 -99.200 -91.000 TRP6 148 1.020 51.483 -8.303 -39.420 -99.200 -91.000 PHE 160 1.000 51.096 2.506 -31.891 -99.200 -91.000 PHE 170 1.000 44.566 19.160 -25.779 -99.200 -91.000 HIS 176 0.900 42.282 -2.679 -33.072 -99.200 -91.000 HIS 180 0.900 45.562 -4.539 -34.748 -99.200 -91.000 TRP 192 1.040 49.694 -2.278 -24.528 -99.200 -91.000 TRP6 192 1.020 48.289 -0.849 -25.778 -99.200 -91.000 HIS 201 0.900 56.397 12.939 -22.071 -99.200 -91.000 PHE 203 1.000 49.731 18.253 -23.246 -99.200 -91.000 PHE 205 1.000 39.386 10.628 -25.320 -99.200 -91.000 PHE 207 1.000 36.252 5.953 -28.463 -99.200 -91.000 PHE 208 1.000 42.967 1.800 -24.031 -99.200 -91.000 TYR 212 0.840 37.587 -9.422 -31.238 -99.200 -91.000 PHE 215 1.000 37.119 -14.765 -27.690 -99.200 -91.000 TRP 225 1.040 49.359 -4.756 -17.257 -99.200 -91.000 TRP6 225 1.020 50.555 -3.192 -18.550 -99.200 -91.000 TYR 229 0.840 51.248 1.783 -17.794 -99.200 -91.000 PHE 230 1.000 47.126 4.034 -22.233 -99.200 -91.000 PHE 235 1.000 47.330 8.655 -20.841 -99.200 -91.000 PHE 237 1.000 40.930 4.822 -19.895 -99.200 -91.000 PHE 238 1.000 34.639 8.854 -24.382 -99.200 -91.000 PHE 243 1.000 30.376 -6.984 -21.856 -99.200 -91.000 PHE 247 1.000 28.942 -12.557 -20.668 -99.200 -91.000 TYR 250 0.840 28.914 -13.881 -31.914 -99.200 -91.000 TRP 282 1.040 20.592 3.403 -28.310 -99.200 -91.000 TRP6 282 1.020 22.778 3.330 -29.186 -99.200 -91.000 PHE 303 1.000 34.135 -13.118 -12.939 -99.200 -91.000 TRP 306 1.040 31.547 -15.180 -19.307 -99.200 -91.000 TRP6 306 1.020 32.930 -13.353 -18.770 -99.200 -91.000 TRP 337 1.040 53.622 -21.357 -43.722 -99.200 -91.000 TRP6 337 1.020 51.959 -19.944 -44.584 -99.200 -91.000 HIS 339 0.900 52.537 -16.111 -40.713 -99.200 -91.000 PHE 347 1.000 39.278 -11.627 -36.427 -99.200 -91.000 PHE 349 1.000 46.702 -8.794 -41.898 -99.200 -91.000 TYR 359 0.840 43.355 -21.945 -55.824 -99.200 -91.000 HIS 365 0.900 32.994 -23.164 -54.087 -99.200 -91.000 TYR 367 0.840 32.522 -18.100 -49.598 -99.200 -91.000 TYR 386 0.840 38.449 -27.902 -49.319 -99.200 -91.000 HIS 392 0.900 51.602 -27.246 -50.685 -99.200 -91.000 TYR 403 0.840 54.005 -10.293 -66.845 -99.200 -91.000 PHE 404 1.000 59.646 -8.572 -64.952 -99.200 -91.000