============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 60.735 38.362 113.567 -99.200 -91.000 PHE 29 1.000 66.821 38.533 111.138 -99.200 -91.000 TYR 32 0.840 59.833 33.393 117.254 -99.200 -91.000 TRP 36 1.040 63.655 32.934 102.144 -99.200 -91.000 TRP6 36 1.020 63.175 35.085 101.326 -99.200 -91.000 TRP 47 1.040 59.481 25.225 103.811 -99.200 -91.000 TRP6 47 1.020 60.919 23.408 104.162 -99.200 -91.000 TRP 50 1.040 63.237 27.832 109.330 -99.200 -91.000 TRP6 50 1.020 64.848 27.030 110.810 -99.200 -91.000 TYR 60 0.840 69.177 26.319 100.321 -99.200 -91.000 PHE 64 1.000 61.994 25.840 95.552 -99.200 -91.000 PHE 68 1.000 65.684 28.677 93.471 -99.200 -91.000 PHE 70 1.000 66.392 29.741 101.474 -99.200 -91.000 PHE 93 1.000 60.522 33.603 93.958 -99.200 -91.000 PHE 94 1.000 53.619 35.682 99.071 -99.200 -91.000 PHE 102 1.000 63.797 21.204 110.678 -99.200 -91.000 TYR 108 0.840 52.759 37.420 113.385 -99.200 -91.000 TRP 109 1.040 52.425 33.701 105.625 -99.200 -91.000 TRP6 109 1.020 52.988 32.394 103.754 -99.200 -91.000 TYR 128 0.840 45.965 56.370 73.881 -99.200 -91.000 TYR 151 0.840 51.584 48.583 81.624 -99.200 -91.000 PHE 152 1.000 57.598 43.031 79.992 -99.200 -91.000 TRP 160 1.040 39.744 56.449 87.767 -99.200 -91.000 TRP6 160 1.020 39.415 57.504 85.721 -99.200 -91.000 HIS 170 0.900 33.953 47.902 88.834 -99.200 -91.000 PHE 172 1.000 37.555 46.336 84.182 -99.200 -91.000 TYR 181 0.840 51.876 43.042 81.417 -99.200 -91.000 TRP 194 1.040 33.619 64.631 83.229 -99.200 -91.000 TRP6 194 1.020 32.665 64.046 81.174 -99.200 -91.000 HIS 205 0.900 55.828 51.186 83.270 -99.200 -91.000