============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 27 1.000 -1.356 80.249 61.844 -99.200 -91.000 PHE 29 1.000 3.028 82.714 57.440 -99.200 -91.000 TRP 33 1.040 10.408 81.157 65.568 -99.200 -91.000 TRP6 33 1.020 12.382 80.169 66.469 -99.200 -91.000 TRP 36 1.040 8.540 73.938 54.133 -99.200 -91.000 TRP6 36 1.020 6.607 73.279 52.968 -99.200 -91.000 TRP 47 1.040 12.863 70.560 61.532 -99.200 -91.000 TRP6 47 1.020 15.032 71.473 61.278 -99.200 -91.000 TYR 62 0.840 17.721 75.668 54.868 -99.200 -91.000 PHE 70 1.000 15.090 69.750 49.661 -99.200 -91.000 TYR 82 0.840 6.328 81.090 48.511 -99.200 -91.000 TYR 96 0.840 9.387 66.836 50.990 -99.200 -91.000 PHE 103 1.000 3.077 80.496 73.171 -99.200 -91.000 TYR 113 0.840 9.889 78.102 83.989 -99.200 -91.000 TRP 117 1.040 1.501 68.671 63.452 -99.200 -91.000 TRP6 117 1.020 3.326 67.213 63.061 -99.200 -91.000 PHE 136 1.000 6.038 37.493 34.667 -99.200 -91.000 TYR 159 0.840 0.896 48.394 39.298 -99.200 -91.000 PHE 160 1.000 4.871 56.104 38.176 -99.200 -91.000 TRP 168 1.040 -8.593 36.300 40.538 -99.200 -91.000 TRP6 168 1.020 -6.958 34.845 39.638 -99.200 -91.000 HIS 178 0.900 -6.410 39.297 50.656 -99.200 -91.000 PHE 180 1.000 -2.336 39.279 50.022 -99.200 -91.000 TYR 190 0.840 3.202 52.268 43.129 -99.200 -91.000 TYR 208 0.840 -9.782 28.407 39.440 -99.200 -91.000 HIS 214 0.900 -1.240 50.720 34.765 -99.200 -91.000