============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 7 1.000 -16.300 41.852 -30.097 -99.200 -91.000 TRP 8 1.040 -18.061 38.695 -27.966 -99.200 -91.000 TRP6 8 1.020 -17.091 37.112 -29.436 -99.200 -91.000 PHE 11 1.000 -23.337 33.229 -25.898 -99.200 -91.000 TYR 21 0.840 -21.624 48.387 -32.544 -99.200 -91.000 PHE 23 1.000 -21.788 55.628 -34.369 -99.200 -91.000 HIS 25 0.900 -19.477 65.970 -35.427 -99.200 -91.000 PHE 28 1.000 -25.310 64.450 -28.543 -99.200 -91.000 TYR 45 0.840 -13.917 51.983 -24.653 -99.200 -91.000 HIS 58 0.900 -32.519 44.129 -32.734 -99.200 -91.000 TYR 59 0.840 -37.584 48.414 -28.029 -99.200 -91.000 HIS 60 0.900 -34.116 39.727 -31.174 -99.200 -91.000 HIS 61 0.900 -34.166 39.369 -23.670 -99.200 -91.000 HIS 63 0.900 -28.821 44.102 -31.013 -99.200 -91.000 TYR 72 0.840 -31.997 49.950 -11.121 -99.200 -91.000 TYR 90 0.840 -33.457 60.499 -29.382 -99.200 -91.000 HIS 92 0.900 -39.151 49.175 -32.640 -99.200 -91.000 PHE 94 1.000 -43.584 50.477 -35.804 -99.200 -91.000 PHE 99 1.000 -41.163 54.858 -26.835 -99.200 -91.000 HIS 100 0.900 -44.403 52.058 -19.617 -99.200 -91.000 HIS 104 0.900 -36.178 54.785 -12.921 -99.200 -91.000 HIS 107 0.900 -33.427 59.496 -11.917 -99.200 -91.000 TYR 113 0.840 -35.916 54.537 -34.046 -99.200 -91.000 PHE 124 1.000 -23.374 61.756 -33.689 -99.200 -91.000 PHE 128 1.000 -34.055 55.719 -37.473 -99.200 -91.000 HIS 133 0.900 -32.916 40.114 -36.082 -99.200 -91.000 PHE 138 1.000 -37.700 50.322 -37.779 -99.200 -91.000 TYR 150 0.840 -25.857 48.877 -35.463 -99.200 -91.000 TYR 156 0.840 -28.702 40.832 -50.224 -99.200 -91.000 PHE 160 1.000 -29.203 46.239 -44.684 -99.200 -91.000 PHE 163 1.000 -30.284 52.847 -44.430 -99.200 -91.000 PHE 170 1.000 -23.021 47.648 -44.357 -99.200 -91.000 TYR 176 0.840 -17.481 31.360 -39.177 -99.200 -91.000 HIS 178 0.900 -19.250 26.931 -43.099 -99.200 -91.000 HIS 186 0.900 -28.563 37.026 -36.839 -99.200 -91.000 HIS 207 0.900 -25.696 40.003 -33.814 -99.200 -91.000 HIS 210 0.900 -20.992 33.856 -28.919 -99.200 -91.000 PHE 225 1.000 -15.518 46.321 -49.429 -99.200 -91.000 HIS 228 0.900 -9.219 48.845 -43.372 -99.200 -91.000 HIS 233 0.900 -10.068 45.239 -32.527 -99.200 -91.000 TYR 236 0.840 -11.760 49.402 -35.715 -99.200 -91.000 TRP 238 1.040 -14.342 54.886 -39.416 -99.200 -91.000 TRP6 238 1.020 -15.758 56.785 -39.307 -99.200 -91.000