============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 12 0.900 12.002 41.575 55.070 -99.200 -91.000 TRP 23 1.040 25.839 42.279 47.495 -99.200 -91.000 TRP6 23 1.020 26.303 43.686 45.650 -99.200 -91.000 PHE 32 1.000 31.801 48.702 45.461 -99.200 -91.000 PHE 40 1.000 22.662 47.677 43.977 -99.200 -91.000 HIS 62 0.900 36.330 46.962 47.176 -99.200 -91.000 TRP 80 1.040 12.275 61.859 48.546 -99.200 -91.000 TRP6 80 1.020 11.926 60.911 46.383 -99.200 -91.000 HIS 84 0.900 10.225 64.157 46.089 -99.200 -91.000 HIS 87 0.900 0.220 69.694 54.467 -99.200 -91.000 TRP 117 1.040 5.736 54.940 52.748 -99.200 -91.000 TRP6 117 1.020 7.604 55.013 54.214 -99.200 -91.000 HIS 120 0.900 -0.554 54.593 48.850 -99.200 -91.000 TYR 130 0.840 18.990 52.952 50.297 -99.200 -91.000 TRP 133 1.040 18.088 58.493 46.163 -99.200 -91.000 TRP6 133 1.020 17.211 58.697 48.343 -99.200 -91.000 TYR 145 0.840 37.143 50.114 43.041 -99.200 -91.000