============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 6 1.000 15.628 64.367 -0.025 -99.200 -91.000 TRP 7 1.040 24.109 62.049 -3.382 -99.200 -91.000 TRP6 7 1.020 25.890 61.114 -2.138 -99.200 -91.000 HIS 22 0.900 34.893 67.610 9.535 -99.200 -91.000 TYR 25 0.840 28.945 63.123 5.876 -99.200 -91.000 TRP 48 1.040 20.749 62.971 14.763 -99.200 -91.000 TRP6 48 1.020 21.842 62.708 12.662 -99.200 -91.000 TYR 50 0.840 11.527 61.382 11.554 -99.200 -91.000 TYR 56 0.840 11.042 69.050 11.231 -99.200 -91.000 PHE 63 1.000 16.117 69.167 7.042 -99.200 -91.000 PHE 65 1.000 19.326 66.640 12.008 -99.200 -91.000 PHE 78 1.000 24.179 66.715 14.350 -99.200 -91.000 PHE 80 1.000 23.428 67.511 7.534 -99.200 -91.000 PHE 89 1.000 9.593 71.943 7.110 -99.200 -91.000 HIS 97 0.900 -0.414 63.790 9.318 -99.200 -91.000