============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 78.159 75.980 16.100 -99.200 -91.000 PHE 6 1.000 82.580 68.431 11.825 -99.200 -91.000 TYR 16 0.840 85.814 50.836 12.422 -99.200 -91.000 PHE 19 1.000 85.188 53.627 20.877 -99.200 -91.000 PHE 30 1.000 81.453 50.346 12.191 -99.200 -91.000 PHE 32 1.000 79.832 55.292 6.861 -99.200 -91.000 TYR 77 0.840 68.198 71.772 0.733 -99.200 -91.000 TRP 85 1.040 70.282 48.256 15.276 -99.200 -91.000 TRP6 85 1.020 71.511 46.303 14.723 -99.200 -91.000 PHE 100 1.000 68.508 60.092 24.625 -99.200 -91.000 PHE 103 1.000 66.099 68.919 34.990 -99.200 -91.000 PHE 104 1.000 63.228 61.427 35.347 -99.200 -91.000 HIS 126 0.900 76.568 71.061 18.078 -99.200 -91.000 TRP 131 1.040 64.506 59.485 17.744 -99.200 -91.000 TRP6 131 1.020 65.298 61.017 16.114 -99.200 -91.000 PHE 141 1.000 70.904 55.130 22.633 -99.200 -91.000 PHE 143 1.000 74.701 62.734 16.076 -99.200 -91.000