============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 2 0.840 22.657 -24.417 -1.226 -99.200 -91.000 HIS 24 0.900 15.290 -23.960 -3.759 -99.200 -91.000 PHE 31 1.000 12.360 -9.851 10.160 -99.200 -91.000 TYR 32 0.840 11.599 -1.991 2.484 -99.200 -91.000 HIS 33 0.900 14.305 -1.422 10.397 -99.200 -91.000 TYR 37 0.840 13.378 -5.420 0.094 -99.200 -91.000 HIS 38 0.900 18.597 -6.499 6.536 -99.200 -91.000 TYR 45 0.840 20.565 -17.742 18.857 -99.200 -91.000 HIS 46 0.900 16.748 -19.249 24.259 -99.200 -91.000 HIS 52 0.900 6.282 -15.844 12.016 -99.200 -91.000 PHE 59 1.000 18.006 -3.776 21.176 -99.200 -91.000 TRP 69 1.040 7.927 -17.910 21.845 -99.200 -91.000 TRP6 69 1.020 8.224 -20.205 21.257 -99.200 -91.000 HIS 70 0.900 12.559 -18.050 25.803 -99.200 -91.000 TYR 72 0.840 18.492 -15.555 24.062 -99.200 -91.000 TYR 83 0.840 26.931 -11.215 25.130 -99.200 -91.000 TRP 92 1.040 25.465 -2.395 23.201 -99.200 -91.000 TRP6 92 1.020 23.458 -3.696 23.237 -99.200 -91.000 HIS 102 0.900 18.638 -18.623 4.636 -99.200 -91.000 TYR 112 0.840 13.325 -12.821 -8.459 -99.200 -91.000 PHE 120 1.000 29.899 -27.571 8.168 -99.200 -91.000 TYR 126 0.840 17.528 -29.408 17.300 -99.200 -91.000 TYR 127 0.840 15.251 -25.023 17.812 -99.200 -91.000 PHE 132 1.000 11.771 -28.102 14.072 -99.200 -91.000