============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 12 0.840 -8.116 10.139 7.533 -99.200 -91.000 TYR 17 0.840 -0.100 13.876 12.305 -99.200 -91.000 TYR 18 0.840 -3.651 15.389 4.547 -99.200 -91.000 PHE 30 1.000 0.050 17.112 -7.673 -99.200 -91.000 PHE 34 1.000 5.870 18.611 3.461 -99.200 -91.000 TRP 42 1.040 8.259 8.226 -4.790 -99.200 -91.000 TRP6 42 1.020 8.559 6.896 -6.726 -99.200 -91.000 TYR 52 0.840 -2.430 0.644 -11.960 -99.200 -91.000 TYR 57 0.840 -10.804 5.739 -4.435 -99.200 -91.000 HIS 58 0.900 -4.888 9.169 -3.710 -99.200 -91.000 PHE 61 1.000 3.440 17.647 -13.053 -99.200 -91.000 TYR 69 0.840 7.640 17.409 -18.560 -99.200 -91.000 HIS 71 0.900 11.282 12.839 -21.761 -99.200 -91.000 TYR 80 0.840 4.192 0.073 1.011 -99.200 -91.000 PHE 88 1.000 6.727 9.439 -16.482 -99.200 -91.000 PHE 105 1.000 7.817 16.151 -10.614 -99.200 -91.000 PHE 116 1.000 1.088 3.075 -1.712 -99.200 -91.000 PHE 121 1.000 -0.505 10.464 2.250 -99.200 -91.000 PHE 129 1.000 20.956 12.761 5.705 -99.200 -91.000 PHE 141 1.000 16.389 21.146 4.410 -99.200 -91.000 PHE 155 1.000 14.185 18.230 7.614 -99.200 -91.000 PHE 157 1.000 8.594 16.772 9.652 -99.200 -91.000 TYR 158 0.840 2.244 21.059 16.959 -99.200 -91.000 TYR 159 0.840 3.773 14.583 12.196 -99.200 -91.000 HIS 178 0.900 3.155 25.208 16.912 -99.200 -91.000 TYR 179 0.840 10.749 24.329 20.717 -99.200 -91.000 PHE 183 1.000 14.239 21.530 19.517 -99.200 -91.000 HIS 184 0.900 16.852 17.654 26.598 -99.200 -91.000 TYR 185 0.840 20.062 19.841 19.480 -99.200 -91.000 TRP 194 1.040 16.878 12.703 8.139 -99.200 -91.000 TRP6 194 1.020 18.131 14.464 9.126 -99.200 -91.000 TYR 224 0.840 -0.139 2.946 13.313 -99.200 -91.000 PHE 246 1.000 -3.937 -7.325 7.738 -99.200 -91.000 TYR 248 0.840 0.737 -7.224 18.644 -99.200 -91.000 PHE 263 1.000 9.929 4.195 22.709 -99.200 -91.000 HIS 264 0.900 19.215 5.514 27.968 -99.200 -91.000 TYR 270 0.840 13.700 12.008 24.401 -99.200 -91.000 TYR 277 0.840 1.203 2.681 25.369 -99.200 -91.000 PHE 279 1.000 -4.761 5.184 17.470 -99.200 -91.000 TYR 283 0.840 -12.229 6.061 28.467 -99.200 -91.000 HIS 294 0.900 -0.065 -0.892 14.291 -99.200 -91.000 TRP 306 1.040 13.162 -1.085 18.268 -99.200 -91.000 TRP6 306 1.020 11.191 -1.245 19.575 -99.200 -91.000 PHE 312 1.000 10.044 9.593 20.331 -99.200 -91.000 PHE 316 1.000 8.889 12.911 23.967 -99.200 -91.000 TYR 317 0.840 8.762 21.603 17.158 -99.200 -91.000 PHE 320 1.000 13.650 14.877 11.569 -99.200 -91.000 PHE 329 1.000 13.633 13.035 19.162 -99.200 -91.000 HIS 334 0.900 0.447 18.289 21.352 -99.200 -91.000