============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 12 1.000 81.610 26.602 64.759 -99.200 -91.000 TRP 16 1.040 79.331 21.383 66.442 -99.200 -91.000 TRP6 16 1.020 80.816 19.560 66.512 -99.200 -91.000 TYR 32 0.840 64.305 3.017 64.792 -99.200 -91.000 PHE 39 1.000 54.434 5.013 54.597 -99.200 -91.000 HIS 43 0.900 43.926 -2.969 46.618 -99.200 -91.000 TYR 56 0.840 44.685 1.008 27.066 -99.200 -91.000 PHE 61 1.000 44.680 3.310 22.300 -99.200 -91.000 TYR 64 0.840 34.885 7.787 24.626 -99.200 -91.000 TYR 76 0.840 19.227 -13.793 23.684 -99.200 -91.000 PHE 79 1.000 28.880 -11.462 23.743 -99.200 -91.000 PHE 91 1.000 26.633 -12.084 39.584 -99.200 -91.000 TYR 92 0.840 19.517 -12.353 33.009 -99.200 -91.000 PHE 99 1.000 2.441 -8.694 52.190 -99.200 -91.000 HIS 114 0.900 32.070 -11.592 27.913 -99.200 -91.000 TRP 119 1.040 35.338 -1.352 24.155 -99.200 -91.000 TRP6 119 1.020 35.751 0.927 24.570 -99.200 -91.000 PHE 120 1.000 30.057 -5.467 19.184 -99.200 -91.000 PHE 134 1.000 35.509 6.287 16.511 -99.200 -91.000 PHE 137 1.000 42.187 5.261 28.410 -99.200 -91.000 PHE 143 1.000 29.893 -5.881 39.030 -99.200 -91.000 HIS 153 0.900 38.530 -19.107 38.432 -99.200 -91.000 TYR 157 0.840 35.530 -9.781 35.953 -99.200 -91.000 HIS 158 0.900 38.472 -3.415 39.591 -99.200 -91.000 PHE 185 1.000 51.457 -1.736 32.842 -99.200 -91.000 PHE 187 1.000 54.468 -8.453 31.133 -99.200 -91.000 PHE 190 1.000 55.408 -7.624 24.138 -99.200 -91.000 PHE 192 1.000 51.387 -10.221 19.270 -99.200 -91.000 TYR 201 0.840 33.147 -11.362 21.093 -99.200 -91.000 TYR 202 0.840 37.237 -10.706 19.448 -99.200 -91.000 TYR 211 0.840 50.240 -17.387 25.922 -99.200 -91.000 TYR 213 0.840 61.236 -13.738 29.122 -99.200 -91.000 HIS 214 0.900 58.407 -8.482 34.117 -99.200 -91.000 TRP 220 1.040 58.061 -16.768 26.581 -99.200 -91.000 TRP6 220 1.020 57.654 -15.012 25.072 -99.200 -91.000 PHE 226 1.000 45.651 -9.043 19.019 -99.200 -91.000 TYR 229 0.840 34.484 -5.654 19.009 -99.200 -91.000 TYR 237 0.840 25.216 -3.417 18.893 -99.200 -91.000 PHE 260 1.000 49.876 -8.560 45.776 -99.200 -91.000 TYR 268 0.840 37.485 -8.077 47.877 -99.200 -91.000 PHE 271 1.000 36.997 -9.098 53.937 -99.200 -91.000 TYR 272 0.840 42.245 -13.556 52.598 -99.200 -91.000 HIS 274 0.900 48.816 -6.114 59.595 -99.200 -91.000 TYR 294 0.840 69.261 -5.854 71.039 -99.200 -91.000 TYR 296 0.840 67.487 -12.732 65.434 -99.200 -91.000