============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 14 1.040 21.595 23.909 86.447 -99.200 -91.000 TRP6 14 1.020 21.017 26.119 85.850 -99.200 -91.000 HIS 18 0.900 11.792 24.509 85.501 -99.200 -91.000 TYR 29 0.840 15.755 28.210 85.046 -99.200 -91.000 PHE 38 1.000 28.765 33.406 91.877 -99.200 -91.000 PHE 49 1.000 17.801 33.238 91.612 -99.200 -91.000 HIS 53 0.900 23.004 40.254 82.758 -99.200 -91.000 HIS 61 0.900 27.512 49.387 80.120 -99.200 -91.000 TRP 65 1.040 29.667 40.740 87.181 -99.200 -91.000 TRP6 65 1.020 30.662 39.576 88.987 -99.200 -91.000 PHE 75 1.000 15.138 27.326 102.826 -99.200 -91.000 TYR 87 0.840 30.119 33.895 96.770 -99.200 -91.000 HIS 97 0.900 35.817 50.885 89.518 -99.200 -91.000 PHE 112 1.000 18.940 43.239 100.503 -99.200 -91.000 TYR 113 0.840 19.249 45.605 96.162 -99.200 -91.000 HIS 116 0.900 22.820 44.481 102.628 -99.200 -91.000 PHE 118 1.000 24.114 47.624 95.688 -99.200 -91.000 HIS 123 0.900 12.583 59.586 90.540 -99.200 -91.000 PHE 124 1.000 16.488 55.268 84.758 -99.200 -91.000 PHE 128 1.000 10.321 49.835 83.496 -99.200 -91.000 TYR 129 0.840 0.705 52.102 79.248 -99.200 -91.000 HIS 133 0.900 -3.187 54.543 86.044 -99.200 -91.000 TYR 134 0.840 3.056 56.419 80.678 -99.200 -91.000 TYR 138 0.840 13.730 55.745 93.261 -99.200 -91.000 TYR 140 0.840 18.734 52.717 95.072 -99.200 -91.000 TYR 142 0.840 29.261 48.206 97.392 -99.200 -91.000 PHE 143 1.000 30.321 53.656 92.017 -99.200 -91.000