============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TRP 2 1.040 -8.924 -39.612 194.625 -99.200 -91.000 TRP6 2 1.020 -10.459 -41.183 195.524 -99.200 -91.000 TYR 4 0.840 -18.152 -33.869 195.761 -99.200 -91.000 PHE 21 1.000 -12.723 -24.167 189.664 -99.200 -91.000 TRP 29 1.040 -16.183 -33.074 180.699 -99.200 -91.000 TRP6 29 1.020 -15.003 -35.121 180.543 -99.200 -91.000 TRP 36 1.040 -18.299 -36.763 185.772 -99.200 -91.000 TRP6 36 1.020 -16.899 -38.627 185.357 -99.200 -91.000 PHE 38 1.000 -12.139 -34.557 186.040 -99.200 -91.000 PHE 39 1.000 -12.231 -31.473 194.289 -99.200 -91.000 TYR 47 0.840 -20.182 -27.595 197.959 -99.200 -91.000 TRP 51 1.040 -15.140 -36.992 197.403 -99.200 -91.000 TRP6 51 1.020 -13.629 -35.654 196.170 -99.200 -91.000 TRP 59 1.040 -5.817 -37.487 179.985 -99.200 -91.000 TRP6 59 1.020 -7.492 -38.968 179.201 -99.200 -91.000 TRP 63 1.040 -4.708 -35.246 169.933 -99.200 -91.000 TRP6 63 1.020 -2.992 -33.878 169.091 -99.200 -91.000 PHE 75 1.000 -2.133 -33.663 147.172 -99.200 -91.000 TRP 81 1.040 2.694 -34.859 166.173 -99.200 -91.000 TRP6 81 1.020 1.232 -33.011 166.352 -99.200 -91.000 HIS 82 0.900 1.322 -37.259 162.033 -99.200 -91.000 TRP 84 1.040 4.530 -40.535 154.298 -99.200 -91.000 TRP6 84 1.020 2.875 -41.913 155.282 -99.200 -91.000 PHE 99 1.000 -14.240 -29.635 158.395 -99.200 -91.000 HIS 103 0.900 -6.365 -36.534 160.723 -99.200 -91.000 HIS 117 0.900 -11.431 -33.510 137.581 -99.200 -91.000 PHE 171 1.000 -3.954 -19.073 152.220 -99.200 -91.000 PHE 182 1.000 -7.705 -10.756 144.051 -99.200 -91.000 PHE 185 1.000 -10.225 -17.487 140.607 -99.200 -91.000 TYR 193 0.840 -23.583 -24.730 153.647 -99.200 -91.000 HIS 197 0.900 -20.836 -26.900 146.904 -99.200 -91.000 TYR 204 0.840 -20.004 -22.764 142.915 -99.200 -91.000 PHE 236 1.000 -20.911 -24.985 136.199 -99.200 -91.000 TRP 247 1.040 -19.171 -36.809 154.532 -99.200 -91.000 TRP6 247 1.020 -20.235 -34.738 154.979 -99.200 -91.000 TYR 252 0.840 -21.574 -30.764 138.456 -99.200 -91.000