============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 96.900 5.774 15.155 -99.200 -91.000 PHE 29 1.000 84.279 2.121 1.257 -99.200 -91.000 HIS 31 0.900 86.868 5.821 12.045 -99.200 -91.000 PHE 35 1.000 92.823 13.503 14.784 -99.200 -91.000 PHE 41 1.000 101.478 18.796 14.687 -99.200 -91.000 HIS 50 0.900 112.498 10.951 11.339 -99.200 -91.000 HIS 56 0.900 113.456 17.950 5.808 -99.200 -91.000 TRP 60 1.040 109.701 15.693 -2.389 -99.200 -91.000 TRP6 60 1.020 108.263 13.842 -2.360 -99.200 -91.000 PHE 61 1.000 103.412 15.157 -0.109 -99.200 -91.000 TYR 70 0.840 113.470 18.736 0.278 -99.200 -91.000 HIS 72 0.900 117.267 9.189 -1.428 -99.200 -91.000 TRP 79 1.040 107.164 9.423 -0.642 -99.200 -91.000 TRP6 79 1.020 105.458 8.325 -1.831 -99.200 -91.000 TRP 82 1.040 106.068 2.192 -3.182 -99.200 -91.000 TRP6 82 1.020 106.607 2.753 -0.961 -99.200 -91.000 TYR 93 0.840 100.215 11.955 -2.351 -99.200 -91.000 TRP 97 1.040 98.804 18.388 -3.056 -99.200 -91.000 TRP6 97 1.020 99.707 18.759 -0.917 -99.200 -91.000 TRP 100 1.040 94.183 19.234 -12.746 -99.200 -91.000 TRP6 100 1.020 93.360 17.491 -11.406 -99.200 -91.000 HIS 107 0.900 100.554 22.518 -16.644 -99.200 -91.000 TRP 132 1.040 91.300 9.749 -8.527 -99.200 -91.000 TRP6 132 1.020 92.431 8.009 -7.422 -99.200 -91.000 HIS 146 0.900 98.558 12.659 1.076 -99.200 -91.000 PHE 148 1.000 87.771 16.166 -3.555 -99.200 -91.000 PHE 149 1.000 94.482 19.007 0.410 -99.200 -91.000 PHE 151 1.000 92.719 23.719 3.172 -99.200 -91.000 TYR 152 0.840 82.955 25.221 7.507 -99.200 -91.000 TYR 163 0.840 87.157 9.490 0.450 -99.200 -91.000 PHE 170 1.000 102.522 0.352 13.578 -99.200 -91.000 PHE 175 1.000 105.652 9.522 8.516 -99.200 -91.000 TYR 180 0.840 96.417 16.272 4.041 -99.200 -91.000 HIS 185 0.900 98.818 24.365 13.750 -99.200 -91.000 PHE 198 1.000 93.322 16.100 8.943 -99.200 -91.000 TRP 200 1.040 92.235 10.446 8.001 -99.200 -91.000 TRP6 200 1.020 91.279 8.294 8.101 -99.200 -91.000 HIS 206 0.900 94.699 -0.514 4.095 -99.200 -91.000 TYR 208 0.840 99.291 -3.176 4.282 -99.200 -91.000 HIS 211 0.900 102.013 -2.488 9.202 -99.200 -91.000 HIS 216 0.900 97.222 -7.525 18.278 -99.200 -91.000 PHE 239 1.000 103.283 27.719 -3.050 -99.200 -91.000 TYR 241 0.840 105.367 28.488 6.331 -99.200 -91.000 PHE 243 1.000 113.473 19.919 9.863 -99.200 -91.000 PHE 246 1.000 106.998 24.194 9.643 -99.200 -91.000 TYR 251 0.840 106.161 13.199 19.946 -99.200 -91.000 HIS 254 0.900 103.432 5.376 26.227 -99.200 -91.000