============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 5 0.900 14.071 10.660 20.647 -99.200 -91.000 TRP 11 1.040 17.363 12.410 2.900 -99.200 -91.000 TRP6 11 1.020 18.903 14.019 3.696 -99.200 -91.000 PHE 27 1.000 26.654 -5.903 -2.939 -99.200 -91.000 TYR 40 0.840 14.298 6.549 16.904 -99.200 -91.000 TYR 72 0.840 22.081 8.216 8.334 -99.200 -91.000 TYR 78 0.840 42.301 1.234 2.728 -99.200 -91.000 TYR 81 0.840 40.522 -5.856 -1.455 -99.200 -91.000 TYR 82 0.840 32.548 0.484 -4.884 -99.200 -91.000 TYR 86 0.840 25.459 -0.667 3.160 -99.200 -91.000 TRP 88 1.040 21.889 0.415 10.637 -99.200 -91.000 TRP6 88 1.020 23.654 -1.070 10.101 -99.200 -91.000 TYR 89 0.840 21.604 9.166 16.281 -99.200 -91.000 HIS 101 0.900 28.602 6.072 27.007 -99.200 -91.000 HIS 103 0.900 23.666 12.157 20.305 -99.200 -91.000 TRP 105 1.040 26.665 8.818 14.725 -99.200 -91.000 TRP6 105 1.020 25.508 8.658 12.666 -99.200 -91.000 TRP 111 1.040 36.088 -4.389 3.856 -99.200 -91.000 TRP6 111 1.020 37.575 -2.609 3.430 -99.200 -91.000 HIS 128 0.900 32.283 -2.042 22.617 -99.200 -91.000 TYR 131 0.840 35.401 -0.865 11.705 -99.200 -91.000 PHE 135 1.000 40.406 -11.756 3.707 -99.200 -91.000 TYR 141 0.840 29.012 -14.563 10.569 -99.200 -91.000 TYR 151 0.840 22.631 -1.136 18.417 -99.200 -91.000 TRP 155 1.040 27.384 -6.197 33.133 -99.200 -91.000 TRP6 155 1.020 26.689 -3.982 33.584 -99.200 -91.000 HIS 159 0.900 23.038 -1.209 23.154 -99.200 -91.000 PHE 163 1.000 30.985 -9.576 10.863 -99.200 -91.000 TRP 176 1.040 29.470 12.024 2.484 -99.200 -91.000 TRP6 176 1.020 29.266 13.092 4.588 -99.200 -91.000 PHE 192 1.000 25.664 13.278 15.846 -99.200 -91.000 PHE 199 1.000 27.786 8.564 7.607 -99.200 -91.000 PHE 203 1.000 33.987 6.226 3.567 -99.200 -91.000 PHE 211 1.000 42.498 -4.019 3.640 -99.200 -91.000 PHE 212 1.000 39.873 -7.400 3.082 -99.200 -91.000