============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 9 0.900 18.384 19.166 38.509 -99.200 -91.000 HIS 15 0.900 11.999 31.974 37.509 -99.200 -91.000 TRP 22 1.040 6.277 17.272 37.523 -99.200 -91.000 TRP6 22 1.020 8.555 17.624 38.019 -99.200 -91.000 TRP 27 1.040 13.627 10.066 50.334 -99.200 -91.000 TRP6 27 1.020 13.596 10.053 52.701 -99.200 -91.000 TYR 57 0.840 11.787 17.186 43.616 -99.200 -91.000 TYR 62 0.840 11.464 12.631 24.872 -99.200 -91.000 TYR 79 0.840 5.216 13.004 62.677 -99.200 -91.000 PHE 94 1.000 23.465 10.130 69.405 -99.200 -91.000 HIS 100 0.900 20.717 2.248 62.592 -99.200 -91.000 TYR 114 0.840 1.702 10.346 61.132 -99.200 -91.000 TYR 129 0.840 5.773 16.734 66.669 -99.200 -91.000 PHE 136 1.000 10.691 12.440 52.950 -99.200 -91.000 PHE 140 1.000 18.948 7.783 54.749 -99.200 -91.000 TYR 142 0.840 24.960 6.357 55.831 -99.200 -91.000