============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 7 1.040 59.348 -13.057 -44.599 -99.200 -91.000 TRP6 7 1.020 59.491 -14.270 -46.617 -99.200 -91.000 TYR 12 0.840 63.729 -15.401 -46.436 -99.200 -91.000 TRP 26 1.040 72.051 2.487 -34.689 -99.200 -91.000 TRP6 26 1.020 73.892 1.984 -36.078 -99.200 -91.000 PHE 28 1.000 72.199 -5.864 -31.797 -99.200 -91.000 PHE 39 1.000 67.554 -18.638 -46.146 -99.200 -91.000 TYR 72 0.840 72.046 8.405 -42.085 -99.200 -91.000 PHE 74 1.000 69.407 -1.577 -44.474 -99.200 -91.000 TYR 76 0.840 80.402 0.198 -42.935 -99.200 -91.000 TYR 89 0.840 84.207 -5.517 -36.023 -99.200 -91.000 TYR 91 0.840 76.447 -5.478 -29.313 -99.200 -91.000 TYR 100 0.840 85.224 -4.562 -43.843 -99.200 -91.000 TYR 104 0.840 88.406 -13.403 -40.974 -99.200 -91.000 PHE 112 1.000 69.160 3.533 -48.534 -99.200 -91.000 HIS 140 0.900 54.390 5.223 -24.901 -99.200 -91.000 PHE 143 1.000 58.407 -2.514 -27.403 -99.200 -91.000 PHE 145 1.000 56.920 -2.489 -16.765 -99.200 -91.000 TYR 146 0.840 54.517 -8.283 -26.053 -99.200 -91.000 TYR 151 0.840 53.024 -2.383 -27.015 -99.200 -91.000 PHE 152 1.000 45.834 0.155 -29.512 -99.200 -91.000 HIS 163 0.900 64.067 -0.604 -29.837 -99.200 -91.000 TYR 170 0.840 51.350 -10.207 -43.591 -99.200 -91.000 PHE 172 1.000 44.343 -15.019 -40.060 -99.200 -91.000 TYR 175 0.840 49.870 -11.727 -35.214 -99.200 -91.000 TRP 176 1.040 52.356 -4.476 -38.622 -99.200 -91.000 TRP6 176 1.020 52.557 -4.953 -40.922 -99.200 -91.000 TRP 182 1.040 65.423 -3.926 -26.089 -99.200 -91.000 TRP6 182 1.020 63.439 -2.881 -25.375 -99.200 -91.000 TRP 186 1.040 60.858 -6.939 -24.109 -99.200 -91.000 TRP6 186 1.020 59.998 -7.021 -26.309 -99.200 -91.000 TYR 191 0.840 60.942 -13.185 -32.928 -99.200 -91.000 HIS 201 0.900 49.254 1.326 -31.428 -99.200 -91.000 TYR 210 0.840 63.180 -3.874 -49.694 -99.200 -91.000