============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 5 0.900 -8.263 -0.900 -15.625 -99.200 -91.000 HIS 10 0.900 -10.707 -6.539 -30.497 -99.200 -91.000 PHE 12 1.000 -11.497 -4.844 -39.624 -99.200 -91.000 TRP 33 1.040 0.737 -1.415 -13.710 -99.200 -91.000 TRP6 33 1.020 0.152 0.793 -14.240 -99.200 -91.000 HIS 35 0.900 -5.473 -7.834 -16.455 -99.200 -91.000 PHE 40 1.000 -12.547 -1.816 -28.551 -99.200 -91.000 TYR 85 0.840 -6.816 5.947 -35.784 -99.200 -91.000 PHE 100 1.000 3.697 -2.128 -25.836 -99.200 -91.000 HIS 123 0.900 5.249 -1.008 -37.685 -99.200 -91.000 TRP 125 1.040 13.514 -4.276 -38.866 -99.200 -91.000 TRP6 125 1.020 14.065 -2.058 -39.362 -99.200 -91.000 HIS 126 0.900 11.064 -8.034 -42.970 -99.200 -91.000 TRP 138 1.040 2.705 9.131 -35.352 -99.200 -91.000 TRP6 138 1.020 2.811 8.410 -33.098 -99.200 -91.000 HIS 153 0.900 -0.465 -5.217 -39.155 -99.200 -91.000 HIS 158 0.900 9.875 -10.989 -33.428 -99.200 -91.000 PHE 166 1.000 1.546 -3.171 -21.433 -99.200 -91.000