============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 12 1.000 51.254 59.100 8.434 -99.200 -91.000 PHE 13 1.000 56.498 53.839 2.817 -99.200 -91.000 TRP 35 1.040 58.922 54.459 -9.253 -99.200 -91.000 TRP6 35 1.020 59.316 55.633 -11.270 -99.200 -91.000 TRP 45 1.040 55.320 61.761 0.413 -99.200 -91.000 TRP6 45 1.020 55.861 63.648 -0.906 -99.200 -91.000 TYR 49 0.840 46.010 69.936 12.701 -99.200 -91.000 TYR 56 0.840 46.993 66.950 9.161 -99.200 -91.000 TRP 70 1.040 45.705 73.226 -7.314 -99.200 -91.000 TRP6 70 1.020 44.052 74.756 -6.592 -99.200 -91.000 TYR 89 0.840 48.996 75.315 5.668 -99.200 -91.000 TRP 90 1.040 47.907 69.534 0.360 -99.200 -91.000 TRP6 90 1.020 46.973 69.233 -1.793 -99.200 -91.000 TYR 91 0.840 40.348 72.112 4.934 -99.200 -91.000 TYR 96 0.840 37.220 53.921 13.723 -99.200 -91.000 TYR 106 0.840 43.306 76.776 4.376 -99.200 -91.000 TYR 115 0.840 44.502 56.453 -7.832 -99.200 -91.000 PHE 133 1.000 36.946 57.350 -1.827 -99.200 -91.000 PHE 134 1.000 45.226 59.854 -3.058 -99.200 -91.000 PHE 136 1.000 47.657 60.236 4.033 -99.200 -91.000 TYR 141 0.840 52.331 49.305 13.067 -99.200 -91.000 PHE 160 1.000 75.825 48.142 16.257 -99.200 -91.000 TRP 173 1.040 81.240 46.326 24.452 -99.200 -91.000 TRP6 173 1.020 81.906 46.956 26.631 -99.200 -91.000 TRP 175 1.040 77.002 43.001 15.778 -99.200 -91.000 TRP6 175 1.020 74.802 43.284 16.593 -99.200 -91.000 PHE 176 1.000 79.097 41.435 22.876 -99.200 -91.000 TRP 183 1.040 68.361 46.760 22.104 -99.200 -91.000 TRP6 183 1.020 67.995 47.130 24.409 -99.200 -91.000 TYR 187 0.840 51.909 51.881 17.829 -99.200 -91.000 TYR 194 0.840 57.030 52.010 17.386 -99.200 -91.000 TYR 204 0.840 59.405 45.093 27.804 -99.200 -91.000 TRP 207 1.040 64.766 59.297 32.011 -99.200 -91.000 TRP6 207 1.020 63.291 61.122 31.701 -99.200 -91.000 TYR 214 0.840 73.969 56.312 34.528 -99.200 -91.000 TYR 218 0.840 61.541 49.149 36.233 -99.200 -91.000 TYR 227 0.840 54.856 52.116 27.448 -99.200 -91.000 TRP 228 1.040 61.771 54.418 24.830 -99.200 -91.000 TRP6 228 1.020 63.422 55.943 25.556 -99.200 -91.000 TYR 232 0.840 61.718 57.842 9.073 -99.200 -91.000 TYR 240 0.840 64.681 55.196 12.440 -99.200 -91.000 TYR 243 0.840 61.564 63.299 19.502 -99.200 -91.000 TYR 255 0.840 78.363 61.921 30.413 -99.200 -91.000 HIS 264 0.900 77.046 55.237 32.518 -99.200 -91.000 TYR 270 0.840 65.515 67.506 18.993 -99.200 -91.000 HIS 271 0.900 70.252 70.531 23.319 -99.200 -91.000 TRP 278 1.040 69.934 56.981 19.256 -99.200 -91.000 TRP6 278 1.020 71.557 55.704 20.412 -99.200 -91.000