============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 6 1.000 -17.579 -12.779 31.247 -99.200 -91.000 HIS 8 0.900 -7.131 -7.832 30.010 -99.200 -91.000 TRP 13 1.040 -8.293 -8.610 21.321 -99.200 -91.000 TRP6 13 1.020 -7.140 -9.739 19.596 -99.200 -91.000 PHE 16 1.000 -4.740 -3.321 16.942 -99.200 -91.000 HIS 17 0.900 -13.691 -7.519 13.871 -99.200 -91.000 PHE 33 1.000 -0.328 -4.710 20.730 -99.200 -91.000 TYR 36 0.840 -7.918 -15.486 22.701 -99.200 -91.000 TYR 49 0.840 -12.764 -27.348 34.554 -99.200 -91.000 HIS 61 0.900 -13.519 -16.533 0.021 -99.200 -91.000 TYR 63 0.840 -9.732 -12.450 2.324 -99.200 -91.000 PHE 65 1.000 -5.372 -2.535 2.567 -99.200 -91.000 TRP 70 1.040 -7.525 -6.408 4.334 -99.200 -91.000 TRP6 70 1.020 -5.587 -7.626 3.751 -99.200 -91.000 TYR 82 0.840 0.318 -21.569 23.866 -99.200 -91.000 HIS 84 0.900 -2.057 -20.995 30.317 -99.200 -91.000 HIS 93 0.900 -3.380 -21.939 38.231 -99.200 -91.000 TRP 94 1.040 -7.546 -23.811 34.428 -99.200 -91.000 TRP6 94 1.020 -5.681 -23.288 33.074 -99.200 -91.000 PHE 101 1.000 -4.654 -19.514 26.072 -99.200 -91.000 HIS 110 0.900 3.327 -24.195 5.155 -99.200 -91.000 PHE 114 1.000 12.441 -22.894 16.899 -99.200 -91.000 HIS 116 0.900 7.095 -20.868 17.900 -99.200 -91.000 HIS 123 0.900 -4.027 -18.225 2.584 -99.200 -91.000 TYR 125 0.840 -4.942 -18.431 8.947 -99.200 -91.000 HIS 130 0.900 -10.987 -25.649 20.881 -99.200 -91.000 PHE 140 1.000 -7.463 -33.590 32.266 -99.200 -91.000 PHE 147 1.000 -14.152 -30.516 22.662 -99.200 -91.000 HIS 150 0.900 -16.689 -20.056 25.811 -99.200 -91.000 PHE 152 1.000 -14.344 -14.154 23.481 -99.200 -91.000 PHE 157 1.000 -4.795 -13.781 13.138 -99.200 -91.000 TYR 163 0.840 1.818 -4.737 11.147 -99.200 -91.000 HIS 166 0.900 -3.492 4.597 6.139 -99.200 -91.000