============================================================================= 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. TYR 2 0.840 -22.615 -12.536 25.823 -99.200 -91.000 HIS 29 0.900 -32.175 -4.160 -1.201 -99.200 -91.000 TYR 31 0.840 -26.873 -3.126 -0.126 -99.200 -91.000 PHE 46 1.000 -23.178 1.829 4.166 -99.200 -91.000 PHE 51 1.000 -23.852 -2.789 3.635 -99.200 -91.000 HIS 53 0.900 -15.865 -11.725 1.028 -99.200 -91.000 PHE 61 1.000 -16.991 5.969 3.478 -99.200 -91.000 PHE 64 1.000 -21.179 4.631 7.880 -99.200 -91.000 PHE 71 1.000 -20.712 -2.568 8.112 -99.200 -91.000 PHE 76 1.000 -16.118 -1.782 6.555 -99.200 -91.000 TRP 81 1.040 -17.207 4.818 8.960 -99.200 -91.000 TRP6 81 1.020 -16.839 2.484 8.971 -99.200 -91.000 PHE 86 1.000 -19.945 3.053 13.305 -99.200 -91.000 HIS 87 0.900 -29.471 0.913 17.900 -99.200 -91.000 PHE 91 1.000 -17.839 -2.612 12.315 -99.200 -91.000 PHE 101 1.000 -14.643 2.057 14.089 -99.200 -91.000 TYR 105 0.840 -24.271 6.318 21.182 -99.200 -91.000 PHE 110 1.000 -15.872 -3.123 16.707 -99.200 -91.000 TYR 116 0.840 -0.516 -0.621 13.210 -99.200 -91.000 PHE 119 1.000 -12.506 1.213 18.326 -99.200 -91.000 PHE 121 1.000 -10.264 12.753 22.512 -99.200 -91.000 PHE 124 1.000 -15.820 1.766 22.763 -99.200 -91.000 HIS 128 0.900 -18.265 -9.864 23.177 -99.200 -91.000 PHE 129 1.000 -13.573 -3.530 20.624 -99.200 -91.000 PHE 139 1.000 -9.726 0.012 22.481 -99.200 -91.000 PHE 140 1.000 -6.016 10.380 25.043 -99.200 -91.000 TRP 144 1.040 -15.036 1.829 29.798 -99.200 -91.000 TRP6 144 1.020 -15.837 0.179 31.299 -99.200 -91.000 TRP 157 1.040 -6.467 0.015 26.664 -99.200 -91.000 TRP6 157 1.020 -8.792 -0.449 26.662 -99.200 -91.000 PHE 166 1.000 -7.631 -4.632 29.472 -99.200 -91.000 PHE 171 1.000 -2.007 -6.576 29.397 -99.200 -91.000 PHE 176 1.000 -0.829 1.093 33.373 -99.200 -91.000 TYR 180 0.840 -9.261 7.465 34.529 -99.200 -91.000 TYR 192 0.840 3.516 -4.343 30.798 -99.200 -91.000