============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 7 1.000 -41.182 19.340 4.029 -99.200 -91.000 PHE 27 1.000 -37.536 34.467 4.833 -99.200 -91.000 TYR 70 0.840 -42.333 34.584 1.114 -99.200 -91.000 PHE 73 1.000 -33.616 22.772 1.499 -99.200 -91.000 TYR 78 0.840 -32.253 6.138 -4.207 -99.200 -91.000 TRP 79 1.040 -28.584 7.846 -0.576 -99.200 -91.000 TRP6 79 1.020 -27.908 6.210 -2.150 -99.200 -91.000 HIS 104 0.900 -44.021 35.336 -3.441 -99.200 -91.000 TYR 105 0.840 -38.040 30.878 -4.475 -99.200 -91.000 TYR 108 0.840 -36.858 18.613 -5.539 -99.200 -91.000 HIS 126 0.900 -27.460 8.574 -6.752 -99.200 -91.000 PHE 127 1.000 -26.970 12.696 -9.487 -99.200 -91.000 TYR 136 0.840 -46.000 16.823 -10.722 -99.200 -91.000 PHE 137 1.000 -41.509 21.130 -6.765 -99.200 -91.000 TYR 152 0.840 -23.977 16.346 1.127 -99.200 -91.000 PHE 153 1.000 -15.663 20.838 -0.026 -99.200 -91.000 HIS 159 0.900 -21.306 7.926 2.491 -99.200 -91.000 PHE 160 1.000 -16.807 8.883 -1.775 -99.200 -91.000 TYR 171 0.840 -4.171 6.837 7.545 -99.200 -91.000 TYR 204 0.840 -30.455 33.880 -8.663 -99.200 -91.000 HIS 216 0.900 -9.563 21.140 -5.838 -99.200 -91.000 TYR 221 0.840 -11.945 16.032 -3.411 -99.200 -91.000 HIS 228 0.900 -5.472 21.947 4.725 -99.200 -91.000 HIS 234 0.900 0.494 6.768 -0.722 -99.200 -91.000 TYR 243 0.840 -18.230 3.657 -5.262 -99.200 -91.000 PHE 248 1.000 -21.436 0.518 -2.369 -99.200 -91.000 PHE 258 1.000 -18.248 8.946 -7.695 -99.200 -91.000 PHE 260 1.000 -24.731 13.649 -15.377 -99.200 -91.000 TYR 261 0.840 -20.689 13.726 -9.752 -99.200 -91.000 TRP 285 1.040 -15.377 21.305 5.130 -99.200 -91.000 TRP6 285 1.020 -14.727 19.044 5.336 -99.200 -91.000 HIS 289 0.900 -15.283 21.343 9.312 -99.200 -91.000 PHE 293 1.000 -10.905 14.440 7.180 -99.200 -91.000