============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 12 1.040 0.931 -1.982 16.992 -99.200 -91.000 TRP6 12 1.020 2.451 -1.981 18.821 -99.200 -91.000 TYR 17 0.840 -8.923 0.547 0.042 -99.200 -91.000 TYR 44 0.840 1.993 1.578 -6.896 -99.200 -91.000 TRP 68 1.040 21.827 -19.368 -13.216 -99.200 -91.000 TRP6 68 1.020 23.713 -19.858 -14.546 -99.200 -91.000 PHE 82 1.000 15.937 -23.357 -7.307 -99.200 -91.000 TYR 113 0.840 9.518 -7.581 -20.988 -99.200 -91.000 PHE 121 1.000 11.017 -2.680 -10.994 -99.200 -91.000 TYR 128 0.840 4.943 4.442 -9.640 -99.200 -91.000 PHE 139 1.000 10.810 0.427 -1.345 -99.200 -91.000 HIS 143 0.900 17.070 -8.440 -4.790 -99.200 -91.000 PHE 151 1.000 15.904 4.379 5.298 -99.200 -91.000 HIS 166 0.900 -7.473 4.209 -5.388 -99.200 -91.000 TYR 172 0.840 -4.823 -6.680 -2.329 -99.200 -91.000 HIS 175 0.900 0.195 -8.962 -4.105 -99.200 -91.000 PHE 180 1.000 3.601 -19.424 -9.855 -99.200 -91.000 PHE 182 1.000 8.421 -21.166 -13.814 -99.200 -91.000 TRP 195 1.040 -4.483 -22.070 3.546 -99.200 -91.000 TRP6 195 1.020 -2.553 -21.049 2.643 -99.200 -91.000 TYR 214 0.840 10.383 -14.876 11.991 -99.200 -91.000 PHE 241 1.000 1.794 -15.791 9.189 -99.200 -91.000 TRP 250 1.040 -9.353 -3.408 19.264 -99.200 -91.000 TRP6 250 1.020 -8.557 -1.383 18.330 -99.200 -91.000 PHE 252 1.000 -12.221 -6.141 9.202 -99.200 -91.000 PHE 254 1.000 -14.076 -4.436 20.271 -99.200 -91.000 PHE 255 1.000 -12.372 1.415 16.512 -99.200 -91.000 PHE 267 1.000 -20.546 19.005 4.060 -99.200 -91.000 TRP 273 1.040 -17.872 37.287 -4.463 -99.200 -91.000 TRP6 273 1.020 -19.127 39.286 -4.508 -99.200 -91.000 PHE 274 1.000 -14.764 40.221 -8.733 -99.200 -91.000 TYR 304 0.840 -20.191 25.083 4.887 -99.200 -91.000 PHE 326 1.000 -16.339 14.218 7.968 -99.200 -91.000