============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 13 1.000 25.505 48.461 26.134 -99.200 -91.000 HIS 21 0.900 31.606 60.787 17.400 -99.200 -91.000 TYR 44 0.840 40.794 63.383 34.128 -99.200 -91.000 TRP 48 1.040 37.781 59.362 36.004 -99.200 -91.000 TRP6 48 1.020 35.967 58.904 37.429 -99.200 -91.000 HIS 56 0.900 31.816 51.235 37.248 -99.200 -91.000 PHE 57 1.000 30.436 46.729 27.414 -99.200 -91.000 PHE 73 1.000 34.801 43.683 26.993 -99.200 -91.000 TYR 81 0.840 30.661 51.717 17.196 -99.200 -91.000 TRP 96 1.040 14.424 55.109 -2.467 -99.200 -91.000 TRP6 96 1.020 13.566 56.348 -0.638 -99.200 -91.000