============================================================================= 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 1 0.900 34.051 -22.954 25.959 -99.200 -91.000 PHE 4 1.000 44.079 -25.324 18.127 -99.200 -91.000 HIS 9 0.900 49.588 -38.766 13.629 -99.200 -91.000 TRP 20 1.040 29.651 -8.826 8.033 -99.200 -91.000 TRP6 20 1.020 27.780 -8.804 9.458 -99.200 -91.000 HIS 63 0.900 51.178 -37.366 9.122 -99.200 -91.000 PHE 68 1.000 41.714 -30.738 7.381 -99.200 -91.000 TRP 86 1.040 20.262 -8.341 9.261 -99.200 -91.000 TRP6 86 1.020 21.575 -10.091 8.359 -99.200 -91.000 PHE 96 1.000 19.250 -19.974 1.091 -99.200 -91.000 TRP 102 1.040 13.414 -29.892 7.386 -99.200 -91.000 TRP6 102 1.020 13.188 -28.528 9.316 -99.200 -91.000