============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 7 0.840 21.656 43.078 -5.871 -99.200 -91.000 TYR 8 0.840 28.036 38.321 -6.275 -99.200 -91.000 TYR 11 0.840 29.422 37.653 -15.471 -99.200 -91.000 HIS 13 0.900 22.291 37.457 -16.620 -99.200 -91.000 PHE 47 1.000 32.591 42.629 -10.871 -99.200 -91.000 TYR 68 0.840 16.182 46.217 6.266 -99.200 -91.000 PHE 73 1.000 18.576 36.180 2.964 -99.200 -91.000 PHE 79 1.000 30.723 24.912 -10.781 -99.200 -91.000 PHE 89 1.000 25.877 40.299 4.253 -99.200 -91.000 TRP 97 1.040 22.588 30.864 15.353 -99.200 -91.000 TRP6 97 1.020 23.726 30.043 17.257 -99.200 -91.000 TYR 103 0.840 13.380 31.619 16.588 -99.200 -91.000 PHE 110 1.000 16.028 37.850 -5.851 -99.200 -91.000 TRP 127 1.040 14.182 28.086 0.993 -99.200 -91.000 TRP6 127 1.020 12.636 26.458 0.224 -99.200 -91.000 HIS 132 0.900 21.640 25.666 10.396 -99.200 -91.000 HIS 133 0.900 21.093 33.895 11.239 -99.200 -91.000 TYR 142 0.840 -1.204 26.953 -7.778 -99.200 -91.000 TYR 151 0.840 11.879 23.695 -4.917 -99.200 -91.000 TYR 175 0.840 2.793 35.597 -6.099 -99.200 -91.000 TYR 179 0.840 3.050 34.551 -0.613 -99.200 -91.000