============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 10 1.000 25.184 14.064 23.411 -99.200 -91.000 TYR 13 0.840 22.747 7.008 21.527 -99.200 -91.000 TRP 15 1.040 27.923 9.655 19.760 -99.200 -91.000 TRP6 15 1.020 26.044 10.629 18.724 -99.200 -91.000 PHE 27 1.000 29.088 18.453 5.639 -99.200 -91.000 PHE 41 1.000 22.448 20.317 21.436 -99.200 -91.000 PHE 48 1.000 14.719 14.694 19.181 -99.200 -91.000 TYR 63 0.840 14.386 21.341 20.347 -99.200 -91.000 HIS 76 0.900 25.732 20.673 16.690 -99.200 -91.000 TYR 78 0.840 27.086 13.707 8.480 -99.200 -91.000 HIS 86 0.900 17.630 4.792 1.193 -99.200 -91.000 PHE 100 1.000 8.036 25.986 14.638 -99.200 -91.000 TYR 103 0.840 13.230 27.503 21.478 -99.200 -91.000 TYR 109 0.840 25.640 29.275 7.772 -99.200 -91.000 PHE 116 1.000 16.152 18.000 5.050 -99.200 -91.000 TYR 117 0.840 17.519 22.216 6.682 -99.200 -91.000 PHE 122 1.000 13.090 25.192 8.650 -99.200 -91.000 HIS 132 0.900 17.599 27.469 4.419 -99.200 -91.000 PHE 139 1.000 5.228 22.876 12.805 -99.200 -91.000