============================================================================= 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 13 1.000 -4.467 60.446 9.557 -99.200 -91.000 PHE 21 1.000 1.715 63.225 3.409 -99.200 -91.000 PHE 25 1.000 2.722 53.589 2.691 -99.200 -91.000 PHE 26 1.000 5.110 49.693 11.042 -99.200 -91.000 HIS 34 0.900 -2.997 44.009 -2.457 -99.200 -91.000 PHE 38 1.000 -6.834 55.930 -2.977 -99.200 -91.000 TYR 48 0.840 -1.263 48.996 -4.499 -99.200 -91.000 HIS 49 0.900 4.961 51.341 -0.902 -99.200 -91.000 PHE 71 1.000 -3.350 56.386 4.984 -99.200 -91.000 PHE 99 1.000 10.258 70.395 20.096 -99.200 -91.000 PHE 103 1.000 5.922 61.763 14.700 -99.200 -91.000 HIS 112 0.900 -5.629 34.098 11.026 -99.200 -91.000 TYR 116 0.840 -8.928 46.248 14.889 -99.200 -91.000 TRP 125 1.040 2.477 67.605 9.357 -99.200 -91.000 TRP6 125 1.020 1.062 65.765 9.874 -99.200 -91.000