============================================================================= 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. PHE 7 1.000 -22.552 -8.282 11.793 -99.200 -91.000 HIS 24 0.900 3.223 -27.915 26.830 -99.200 -91.000 PHE 26 1.000 -2.604 -21.572 23.319 -99.200 -91.000 TYR 38 0.840 -17.746 -5.927 -1.452 -99.200 -91.000 PHE 45 1.000 -6.264 -13.900 14.870 -99.200 -91.000 TRP 56 1.040 0.779 -18.450 14.930 -99.200 -91.000 TRP6 56 1.020 -0.625 -17.128 16.292 -99.200 -91.000 PHE 67 1.000 -17.470 -9.279 10.999 -99.200 -91.000 TYR 70 0.840 -25.704 -16.689 5.680 -99.200 -91.000 HIS 73 0.900 -29.825 -17.247 -3.321 -99.200 -91.000 HIS 77 0.900 -32.394 -20.286 4.596 -99.200 -91.000 PHE 79 1.000 -27.858 -18.578 15.602 -99.200 -91.000 PHE 80 1.000 -23.130 -18.296 11.839 -99.200 -91.000 TYR 88 0.840 -22.492 -16.073 17.113 -99.200 -91.000 PHE 95 1.000 -13.510 -35.517 19.085 -99.200 -91.000 PHE 96 1.000 -6.359 -30.474 16.028 -99.200 -91.000 TYR 102 0.840 -6.479 -27.349 19.792 -99.200 -91.000 PHE 110 1.000 -21.725 -5.518 16.427 -99.200 -91.000 PHE 126 1.000 -3.995 -31.960 21.028 -99.200 -91.000 TYR 139 0.840 1.728 -18.903 8.927 -99.200 -91.000 TYR 141 0.840 -7.172 -23.060 7.812 -99.200 -91.000 HIS 144 0.900 -10.742 -26.369 5.211 -99.200 -91.000 TYR 147 0.840 -21.098 -29.332 4.291 -99.200 -91.000 PHE 161 1.000 -15.874 -26.384 10.456 -99.200 -91.000 HIS 165 0.900 -5.345 -28.219 10.683 -99.200 -91.000 HIS 177 0.900 -12.778 -27.839 13.191 -99.200 -91.000 TYR 178 0.840 -17.925 -34.017 15.671 -99.200 -91.000 HIS 195 0.900 -27.002 -22.117 5.758 -99.200 -91.000 TYR 196 0.840 -21.393 -24.989 0.696 -99.200 -91.000 HIS 213 0.900 3.810 -12.048 12.732 -99.200 -91.000 TYR 216 0.840 -8.382 -16.138 8.655 -99.200 -91.000 PHE 217 1.000 -4.563 -10.989 4.336 -99.200 -91.000 PHE 219 1.000 -10.138 -13.602 0.960 -99.200 -91.000 HIS 227 0.900 -19.471 -31.396 -1.549 -99.200 -91.000 TYR 233 0.840 -10.742 -40.127 -0.693 -99.200 -91.000