============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 79 rings ring int. center anis. iso. TRP 14 1.040 27.724 33.504 -24.009 -99.200 -91.000 TRP6 14 1.020 29.526 34.955 -24.519 -99.200 -91.000 TRP 17 1.040 25.916 43.378 -18.711 -99.200 -91.000 TRP6 17 1.020 27.690 44.934 -18.505 -99.200 -91.000 PHE 20 1.000 33.290 36.097 -19.340 -99.200 -91.000 TYR 26 0.840 40.971 36.953 -31.023 -99.200 -91.000 PHE 36 1.000 27.126 29.430 -29.446 -99.200 -91.000 TYR 46 0.840 20.853 28.304 -27.609 -99.200 -91.000 TYR 48 0.840 22.406 36.502 -34.476 -99.200 -91.000 TRP 55 1.040 32.583 46.959 -28.547 -99.200 -91.000 TRP6 55 1.020 33.268 48.214 -30.431 -99.200 -91.000 TRP 56 1.040 34.737 52.820 -29.278 -99.200 -91.000 TRP6 56 1.020 32.660 53.875 -29.663 -99.200 -91.000 TRP 73 1.040 38.904 44.347 -28.428 -99.200 -91.000 TRP6 73 1.020 37.430 42.489 -28.340 -99.200 -91.000 TYR 83 0.840 38.199 31.556 -33.095 -99.200 -91.000 HIS 85 0.900 31.323 36.318 -39.738 -99.200 -91.000 TYR 94 0.840 26.609 47.915 -25.455 -99.200 -91.000 TYR 104 0.840 30.996 59.881 -19.498 -99.200 -91.000 TYR 105 0.840 26.167 59.215 -19.662 -99.200 -91.000 TYR 106 0.840 24.229 54.225 -15.359 -99.200 -91.000 HIS 121 0.900 30.842 60.201 -35.311 -99.200 -91.000 TYR 122 0.840 22.315 57.654 -34.317 -99.200 -91.000 PHE 129 1.000 29.118 49.324 -34.816 -99.200 -91.000 TRP 132 1.040 35.689 46.803 -38.026 -99.200 -91.000 TRP6 132 1.020 35.059 48.080 -36.124 -99.200 -91.000 PHE 134 1.000 31.309 43.006 -34.760 -99.200 -91.000 PHE 136 1.000 22.056 41.015 -31.896 -99.200 -91.000 TRP 141 1.040 17.187 55.591 -23.688 -99.200 -91.000 TRP6 141 1.020 17.024 56.768 -25.740 -99.200 -91.000 TYR 155 0.840 16.745 52.988 -29.474 -99.200 -91.000 TRP 180 1.040 18.142 50.562 -20.543 -99.200 -91.000 TRP6 180 1.020 18.741 52.773 -19.926 -99.200 -91.000 TYR 182 0.840 14.161 54.117 -18.257 -99.200 -91.000 TRP 186 1.040 4.572 48.789 -24.168 -99.200 -91.000 TRP6 186 1.020 6.228 48.684 -22.472 -99.200 -91.000 TRP 188 1.040 8.516 53.834 -29.032 -99.200 -91.000 TRP6 188 1.020 10.777 53.140 -29.188 -99.200 -91.000 TRP 196 1.040 9.941 45.878 -28.087 -99.200 -91.000 TRP6 196 1.020 9.213 44.999 -30.153 -99.200 -91.000 TYR 204 0.840 20.965 46.423 -12.876 -99.200 -91.000 TYR 205 0.840 30.586 41.786 -12.948 -99.200 -91.000 PHE 218 1.000 6.425 35.429 -18.226 -99.200 -91.000 HIS 223 0.900 4.241 45.413 -22.762 -99.200 -91.000 HIS 228 0.900 2.586 42.644 -34.570 -99.200 -91.000 TYR 231 0.840 8.312 43.908 -37.058 -99.200 -91.000 TYR 232 0.840 9.910 37.280 -32.166 -99.200 -91.000 PHE 245 1.000 17.806 31.490 -11.496 -99.200 -91.000 HIS 253 0.900 15.875 32.695 -17.423 -99.200 -91.000 TRP 257 1.040 13.915 34.879 -21.460 -99.200 -91.000 TRP6 257 1.020 13.135 35.577 -19.324 -99.200 -91.000 TYR 311 0.840 1.825 33.374 -17.572 -99.200 -91.000 HIS 333 0.900 -1.080 24.955 -3.308 -99.200 -91.000 TRP 339 1.040 -9.079 20.922 -24.541 -99.200 -91.000 TRP6 339 1.020 -7