============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 17 0.840 12.083 21.922 13.153 -99.200 -91.000 PHE 34 1.000 17.732 30.735 10.233 -99.200 -91.000 TRP 42 1.040 12.582 39.329 17.921 -99.200 -91.000 TRP6 42 1.020 12.950 38.535 20.086 -99.200 -91.000 PHE 44 1.000 15.642 36.724 25.006 -99.200 -91.000 TYR 59 0.840 24.481 42.201 18.733 -99.200 -91.000 TRP 75 1.040 13.191 46.307 17.667 -99.200 -91.000 TRP6 75 1.020 12.384 44.254 18.443 -99.200 -91.000 TYR 79 0.840 6.663 37.428 16.739 -99.200 -91.000 TYR 89 0.840 23.004 48.644 18.730 -99.200 -91.000 PHE 115 1.000 9.159 35.796 21.860 -99.200 -91.000 PHE 129 1.000 7.758 37.879 -0.184 -99.200 -91.000 PHE 143 1.000 21.352 36.131 6.104 -99.200 -91.000 PHE 144 1.000 15.750 35.057 -0.134 -99.200 -91.000 PHE 156 1.000 14.113 31.198 2.464 -99.200 -91.000 TYR 162 0.840 8.390 12.266 12.830 -99.200 -91.000 HIS 163 0.900 9.540 13.566 16.754 -99.200 -91.000 TYR 168 0.840 15.642 26.949 7.763 -99.200 -91.000 PHE 170 1.000 19.509 31.263 3.969 -99.200 -91.000 PHE 172 1.000 23.380 24.869 -1.709 -99.200 -91.000 TYR 178 0.840 14.831 17.838 -5.186 -99.200 -91.000 TYR 184 0.840 10.071 25.786 -8.404 -99.200 -91.000 PHE 193 1.000 1.565 36.765 6.737 -99.200 -91.000 TRP 194 1.040 8.039 33.490 1.822 -99.200 -91.000 TRP6 194 1.020 8.972 33.361 -0.312 -99.200 -91.000 TRP 196 1.040 1.162 27.713 -0.158 -99.200 -91.000 TRP6 196 1.020 0.548 25.538 -0.760 -99.200 -91.000 TYR 201 0.840 -9.669 17.725 2.007 -99.200 -91.000 PHE 208 1.000 -6.282 16.535 -4.432 -99.200 -91.000 TYR 225 0.840 -2.888 26.053 13.897 -99.200 -91.000 TYR 234 0.840 -6.175 13.392 9.909 -99.200 -91.000 TRP 235 1.040 -8.390 15.690 13.780 -99.200 -91.000 TRP6 235 1.020 -6.685 14.319 14.590 -99.200 -91.000 TYR 250 0.840 -11.028 18.168 15.730 -99.200 -91.000 PHE 252 1.000 -3.896 11.324 18.230 -99.200 -91.000 PHE 261 1.000 -4.700 16.943 5.138 -99.200 -91.000 PHE 263 1.000 0.888 19.857 1.538 -99.200 -91.000 TYR 276 0.840 6.527 13.256 9.181 -99.200 -91.000 PHE 279 1.000 3.689 19.090 18.025 -99.200 -91.000 PHE 289 1.000 -3.264 19.988 20.530 -99.200 -91.000 PHE 303 1.000 -0.935 24.538 3.495 -99.200 -91.000 PHE 312 1.000 14.897 20.724 -1.060 -99.200 -91.000 PHE 315 1.000 10.093 29.007 2.099 -99.200 -91.000 PHE 325 1.000 5.077 23.386 -0.767 -99.200 -91.000