============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 11 1.040 1.614 0.138 20.136 -99.200 -91.000 TRP6 11 1.020 0.679 -0.466 22.219 -99.200 -91.000 TYR 15 0.840 -11.461 10.238 19.203 -99.200 -91.000 TRP 22 1.040 -13.809 -3.727 9.046 -99.200 -91.000 TRP6 22 1.020 -13.733 -1.987 7.454 -99.200 -91.000 TYR 30 0.840 -3.069 -12.559 6.902 -99.200 -91.000 TRP 39 1.040 -16.557 -9.112 13.627 -99.200 -91.000 TRP6 39 1.020 -15.831 -7.678 11.890 -99.200 -91.000 PHE 55 1.000 -9.627 -8.643 33.182 -99.200 -91.000 HIS 72 0.900 -11.064 2.604 20.558 -99.200 -91.000 TYR 83 0.840 4.143 -1.622 26.481 -99.200 -91.000 TYR 92 0.840 -4.773 7.408 14.597 -99.200 -91.000 PHE 121 1.000 -22.178 11.228 22.076 -99.200 -91.000 PHE 125 1.000 -17.480 14.296 18.078 -99.200 -91.000 TRP 133 1.040 -17.306 14.902 25.453 -99.200 -91.000 TRP6 133 1.020 -19.368 13.846 25.895 -99.200 -91.000 TRP 142 1.040 -10.432 12.789 14.829 -99.200 -91.000 TRP6 142 1.020 -10.286 14.309 13.022 -99.200 -91.000 TRP 149 1.040 -2.284 6.687 18.887 -99.200 -91.000 TRP6 149 1.020 -0.979 4.815 19.494 -99.200 -91.000 PHE 157 1.000 4.952 4.348 20.282 -99.200 -91.000 TYR 167 0.840 -15.232 2.884 8.530 -99.200 -91.000 PHE 178 1.000 -6.794 -7.595 6.463 -99.200 -91.000 PHE 184 1.000 2.714 -0.327 8.964 -99.200 -91.000 TYR 219 0.840 -19.358 5.054 3.726 -99.200 -91.000 PHE 225 1.000 -29.779 13.199 12.213 -99.200 -91.000 TYR 234 0.840 -18.559 18.286 11.880 -99.200 -91.000 HIS 239 0.900 -16.311 25.115 6.514 -99.200 -91.000 PHE 244 1.000 -13.105 18.104 14.520 -99.200 -91.000 TYR 247 0.840 -4.161 16.300 12.701 -99.200 -91.000 TYR 251 0.840 -5.686 12.078 8.031 -99.200 -91.000 TYR 253 0.840 -12.139 11.852 7.094 -99.200 -91.000