============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 8 0.900 5.768 -31.452 14.962 -99.200 -91.000 TYR 16 0.840 -9.777 -31.783 21.130 -99.200 -91.000 TRP 22 1.040 2.210 -31.046 24.364 -99.200 -91.000 TRP6 22 1.020 1.558 -31.357 22.117 -99.200 -91.000 HIS 23 0.900 2.092 -29.080 32.415 -99.200 -91.000 HIS 30 0.900 13.718 -25.523 23.487 -99.200 -91.000 PHE 47 1.000 -3.239 -11.895 24.781 -99.200 -91.000 PHE 68 1.000 -7.003 -8.369 21.370 -99.200 -91.000 HIS 69 0.900 -8.063 -2.401 25.928 -99.200 -91.000 HIS 70 0.900 -4.382 -8.350 28.171 -99.200 -91.000 HIS 88 0.900 15.867 -14.668 17.667 -99.200 -91.000 PHE 90 1.000 12.409 -16.683 19.405 -99.200 -91.000 PHE 92 1.000 4.982 -18.133 22.442 -99.200 -91.000 TYR 98 0.840 3.138 -22.120 14.696 -99.200 -91.000 TYR 109 0.840 15.439 -21.600 17.850 -99.200 -91.000 PHE 117 1.000 -0.001 -36.203 23.420 -99.200 -91.000 PHE 122 1.000 -2.789 -28.057 9.376 -99.200 -91.000 PHE 123 1.000 5.270 -26.015 12.213 -99.200 -91.000 TYR 126 0.840 8.993 -29.784 10.212 -99.200 -91.000 PHE 128 1.000 15.070 -35.133 6.342 -99.200 -91.000 TRP 131 1.040 12.430 -26.009 6.615 -99.200 -91.000 TRP6 131 1.020 12.638 -23.815 7.450 -99.200 -91.000 HIS 149 0.900 10.974 -33.537 26.029 -99.200 -91.000 PHE 151 1.000 13.742 -29.417 23.982 -99.200 -91.000 HIS 153 0.900 18.439 -23.342 15.497 -99.200 -91.000