============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 9 0.900 -0.467 20.906 46.951 -99.200 -91.000 HIS 14 0.900 1.352 21.108 61.079 -99.200 -91.000 TRP 23 1.040 -1.682 9.921 49.116 -99.200 -91.000 TRP6 23 1.020 0.207 8.550 48.717 -99.200 -91.000 TYR 42 0.840 9.889 15.248 50.641 -99.200 -91.000 PHE 53 1.000 6.696 20.407 42.775 -99.200 -91.000 PHE 60 1.000 8.886 10.486 49.193 -99.200 -91.000 PHE 75 1.000 -4.913 27.473 41.841 -99.200 -91.000 PHE 84 1.000 -1.894 25.925 46.949 -99.200 -91.000 PHE 89 1.000 -4.133 33.642 40.946 -99.200 -91.000 PHE 101 1.000 6.365 27.382 57.332 -99.200 -91.000 HIS 107 0.900 0.306 23.611 50.875 -99.200 -91.000