============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 27 0.840 -24.909 -4.903 -8.156 -99.200 -91.000 PHE 29 1.000 -21.655 0.828 -9.607 -99.200 -91.000 TYR 32 0.840 -30.020 -3.693 -8.136 -99.200 -91.000 TRP 33 1.040 -31.473 4.160 -4.958 -99.200 -91.000 TRP6 33 1.020 -31.132 6.412 -4.321 -99.200 -91.000 TRP 36 1.040 -21.644 4.488 0.868 -99.200 -91.000 TRP6 36 1.020 -19.618 3.269 0.980 -99.200 -91.000 HIS 43 0.900 -22.270 4.043 19.996 -99.200 -91.000 TRP 47 1.040 -29.423 5.402 5.018 -99.200 -91.000 TRP6 47 1.020 -30.245 7.532 4.404 -99.200 -91.000 TYR 60 0.840 -24.613 12.981 0.838 -99.200 -91.000 PHE 70 1.000 -23.040 8.593 0.639 -99.200 -91.000 PHE 80 1.000 -14.361 4.929 -5.651 -99.200 -91.000 TYR 93 0.840 -17.552 4.547 8.912 -99.200 -91.000 TYR 94 0.840 -20.889 -3.799 8.407 -99.200 -91.000 TYR 101 0.840 -39.997 -6.549 -5.594 -99.200 -91.000 TYR 104 0.840 -35.836 -4.923 0.932 -99.200 -91.000 TYR 107 0.840 -27.062 -10.031 -2.659 -99.200 -91.000 TRP 108 1.040 -26.195 -5.885 4.606 -99.200 -91.000 TRP6 108 1.020 -26.370 -4.037 6.060 -99.200 -91.000 HIS 110 0.900 -17.431 -10.123 3.482 -99.200 -91.000 TYR 127 0.840 3.998 -12.556 22.480 -99.200 -91.000 TYR 150 0.840 -5.091 -6.004 18.357 -99.200 -91.000 PHE 151 1.000 -5.237 2.535 18.161 -99.200 -91.000 TRP 159 1.040 -7.279 -20.797 16.082 -99.200 -91.000 TRP6 159 1.020 -5.226 -21.365 17.100 -99.200 -91.000 HIS 169 0.900 -14.816 -21.998 22.688 -99.200 -91.000 PHE 171 1.000 -11.530 -16.963 24.735 -99.200 -91.000 TYR 180 0.840 -8.574 -1.860 20.777 -99.200 -91.000 TRP 193 1.040 -0.271 -29.755 19.513 -99.200 -91.000 TRP6 193 1.020 1.029 -28.865 21.269 -99.200 -91.000 HIS 204 0.900 -3.560 -4.559 13.096 -99.200 -91.000