============================================================================= 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. HIS 3 0.900 30.040 -12.358 -6.458 -99.200 -91.000 TRP 5 1.040 26.532 -9.565 -5.168 -99.200 -91.000 TRP6 5 1.020 25.715 -11.767 -4.763 -99.200 -91.000 PHE 6 1.000 25.653 -14.425 1.477 -99.200 -91.000 PHE 7 1.000 26.288 -5.945 3.024 -99.200 -91.000 HIS 24 0.900 24.782 6.762 -7.481 -99.200 -91.000 PHE 28 1.000 22.765 -6.172 -5.666 -99.200 -91.000 PHE 40 1.000 20.371 -17.694 0.690 -99.200 -91.000 PHE 46 1.000 12.150 3.960 -6.903 -99.200 -91.000 HIS 52 0.900 13.604 -4.935 3.037 -99.200 -91.000 PHE 53 1.000 11.990 -6.541 -4.949 -99.200 -91.000 TYR 63 0.840 19.225 -20.134 -4.905 -99.200 -91.000 PHE 64 1.000 10.527 -18.630 -8.378 -99.200 -91.000 TRP 66 1.040 9.241 -9.977 -9.771 -99.200 -91.000 TRP6 66 1.020 7.256 -9.431 -8.569 -99.200 -91.000 PHE 70 1.000 18.613 -16.441 -13.822 -99.200 -91.000 TYR 79 0.840 16.778 -12.077 -15.906 -99.200 -91.000 HIS 80 0.900 15.754 -10.041 -11.392 -99.200 -91.000 PHE 92 1.000 16.733 -1.575 -15.239 -99.200 -91.000