============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.401 7.403 18.373 -99.200 -91.000 TRP6 14 1.020 7.116 9.277 19.090 -99.200 -91.000 PHE 19 1.000 12.616 -4.474 2.989 -99.200 -91.000 TRP 37 1.040 23.002 11.287 13.972 -99.200 -91.000 TRP6 37 1.020 24.816 9.773 13.879 -99.200 -91.000 HIS 43 0.900 19.463 -8.155 19.242 -99.200 -91.000 TYR 47 0.840 23.591 -13.211 18.676 -99.200 -91.000 TRP 49 1.040 21.605 -16.886 16.030 -99.200 -91.000 TRP6 49 1.020 19.642 -15.683 16.540 -99.200 -91.000 PHE 53 1.000 22.304 -8.205 8.026 -99.200 -91.000 HIS 65 0.900 -0.680 1.532 10.357 -99.200 -91.000 TYR 70 0.840 7.417 2.611 -2.057 -99.200 -91.000 TYR 84 0.840 29.302 6.237 13.844 -99.200 -91.000 HIS 86 0.900 28.802 0.994 24.467 -99.200 -91.000 TYR 89 0.840 26.519 -6.378 20.734 -99.200 -91.000 TRP 91 1.040 29.936 -10.250 20.086 -99.200 -91.000 TRP6 91 1.020 30.888 -12.395 19.728 -99.200 -91.000 PHE 110 1.000 12.041 15.770 11.519 -99.200 -91.000 TYR 113 0.840 1.156 10.316 7.309 -99.200 -91.000 HIS 115 0.900 8.013 15.400 15.396 -99.200 -91.000 TYR 132 0.840 6.028 5.488 37.712 -99.200 -91.000 TRP 139 1.040 5.697 -2.890 10.887 -99.200 -91.000 TRP6 139 1.020 7.241 -1.117 11.064 -99.200 -91.000 PHE 175 1.000 13.809 -0.584 30.630 -99.200 -91.000 TYR 179 0.840 0.362 -6.180 32.043 -99.200 -91.000 PHE 198 1.000 9.347 0.324 28.189 -99.200 -91.000 PHE 204 1.000 7.417 14.772 35.931 -99.200 -91.000 TRP 208 1.040 4.317 10.171 23.214 -99.200 -91.000 TRP6 208 1.020 3.650 8.135 24.208 -99.200 -91.000 TYR 209 0.840 11.507 12.889 27.437 -99.200 -91.000 TRP 216 1.040 18.433 -9.984 26.858 -99.200 -91.000 TRP6 216 1.020 17.862 -11.541 28.540 -99.200 -91.000 TYR 226 0.840 8.567 -10.797 34.380 -99.200 -91.000 PHE 228 1.000 15.651 -9.491 31.228 -99.200 -91.000 TYR 229 0.840 11.719 -4.035 26.714 -99.200 -91.000 HIS 231 0.900 18.666 2.757 32.241 -99.200 -91.000 PHE 233 1.000 20.488 9.263 32.220 -99.200 -91.000 TRP 238 1.040 29.001 4.679 22.127 -99.200 -91.000 TRP6 238 1.020 27.136 4.045 20.810 -99.200 -91.000 PHE 246 1.000 32.103 9.152 14.845 -99.200 -91.000