============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 15.678 -13.646 33.580 -99.200 -91.000 TYR 31 0.840 30.683 -14.750 38.207 -99.200 -91.000 TYR 36 0.840 27.341 -18.306 33.247 -99.200 -91.000 TYR 37 0.840 25.510 -17.062 25.457 -99.200 -91.000 PHE 38 1.000 20.780 -14.565 31.702 -99.200 -91.000 TRP 40 1.040 14.075 -11.049 28.917 -99.200 -91.000 TRP6 40 1.020 16.411 -10.773 29.042 -99.200 -91.000 TYR 42 0.840 7.328 -12.289 20.009 -99.200 -91.000 PHE 57 1.000 19.370 -8.787 18.852 -99.200 -91.000 PHE 66 1.000 33.417 -6.852 16.078 -99.200 -91.000 TYR 89 0.840 48.593 4.468 4.911 -99.200 -91.000 TRP 90 1.040 42.357 9.356 -0.616 -99.200 -91.000 TRP6 90 1.020 40.311 9.711 0.518 -99.200 -91.000 TRP 98 1.040 42.432 16.480 4.303 -99.200 -91.000 TRP6 98 1.020 41.646 14.807 5.775 -99.200 -91.000 HIS 105 0.900 46.149 14.043 14.614 -99.200 -91.000 TYR 109 0.840 35.852 8.707 17.540 -99.200 -91.000 PHE 131 1.000 32.440 14.096 4.000 -99.200 -91.000 TYR 132 0.840 36.694 11.845 4.418 -99.200 -91.000 TRP 135 1.040 36.306 18.545 7.852 -99.200 -91.000 TRP6 135 1.020 38.535 18.103 8.518 -99.200 -91.000 TRP 139 1.040 37.633 22.930 17.148 -99.200 -91.000 TRP6 139 1.020 36.341 20.943 17.261 -99.200 -91.000 TYR 147 0.840 30.976 8.476 18.244 -99.200 -91.000 PHE 155 1.000 42.562 3.450 12.204 -99.200 -91.000 PHE 167 1.000 36.577 -2.281 7.531 -99.200 -91.000 PHE 176 1.000 33.765 -10.050 11.436 -99.200 -91.000 HIS 183 0.900 26.651 -18.709 12.927 -99.200 -91.000 TRP 185 1.040 26.648 -13.050 9.282 -99.200 -91.000 TRP6 185 1.020 27.819 -14.717 8.096 -99.200 -91.000 TYR 196 0.840 19.526 -8.203 9.402 -99.200 -91.000 TRP 198 1.040 12.248 -7.716 9.821 -99.200 -91.000 TRP6 198 1.020 12.784 -6.358 7.959 -99.200 -91.000 TYR 200 0.840 10.110 -4.326 15.078 -99.200 -91.000 HIS 207 0.900 16.611 -5.865 8.369 -99.200 -91.000 TYR 218 0.840 26.687 3.340 9.415 -99.200 -91.000 TRP 230 1.040 34.229 -7.557 19.953 -99.200 -91.000 TRP6 230 1.020 36.268 -7.659 18.735 -99.200 -91.000 TYR 256 0.840 46.126 4.971 21.222 -99.200 -91.000 TRP 257 1.040 43.894 11.451 21.456 -99.200 -91.000 TRP6 257 1.020 45.271 13.336 21.038 -99.200 -91.000 TYR 263 0.840 42.137 7.908 31.136 -99.200 -91.000 TRP 268 1.040 37.452 -2.121 22.601 -99.200 -91.000 TRP6 268 1.020 35.302 -2.897 23.197 -99.200 -91.000 TRP 273 1.040 35.662 -1.452 38.685 -99.200 -91.000 TRP6 273 1.020 33.377 -1.014 38.275 -99.200 -91.000 TRP 309 1.040 32.174 0.958 32.075 -99.200 -91.000 TRP6 309 1.020 30.698 -0.450 33.279 -99.200 -91.000 HIS 311 0.900 31.586 3.058 28.091 -99.200 -91.000 PHE 319 1.000 18.453 -4.202 14.813 -99.200 -91.000 TYR 322 0.840 27.045 0.027 27.556 -99.200 -91.000 PHE 325 1.000 36.315 -5.212 27.544 -99.200 -91.000 TYR 341 0.840 17.874 0.357 25.244 -99.200 -91.000 TRP 351 1.040 28.133 1.020 37.837 -99.200 -91.000 TRP6 351 1.020 27.143 0.842 39.985 -99.200 -91.000