============================================================================= 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. TRP 1 1.040 -14.972 23.680 15.308 -99.200 -91.000 TRP6 1 1.020 -16.488 23.979 13.525 -99.200 -91.000 HIS 7 0.900 -25.797 25.405 0.806 -99.200 -91.000 TRP 10 1.040 -29.996 24.845 0.456 -99.200 -91.000 TRP6 10 1.020 -30.231 24.448 2.782 -99.200 -91.000 PHE 15 1.000 -25.692 22.194 5.524 -99.200 -91.000 PHE 20 1.000 -16.137 18.815 13.733 -99.200 -91.000 TYR 28 0.840 -5.056 10.173 20.617 -99.200 -91.000 TRP 62 1.040 -16.484 -0.451 13.993 -99.200 -91.000 TRP6 62 1.020 -18.118 1.115 13.354 -99.200 -91.000 PHE 63 1.000 -10.107 4.200 17.809 -99.200 -91.000 HIS 89 0.900 -23.696 11.536 17.857 -99.200 -91.000 HIS 96 0.900 -4.560 3.210 4.863 -99.200 -91.000 TYR 97 0.840 -11.600 4.896 1.757 -99.200 -91.000 HIS 98 0.900 -2.726 1.597 1.332 -99.200 -91.000 TYR 103 0.840 -18.749 2.326 1.027 -99.200 -91.000 HIS 106 0.900 -21.744 4.215 0.420 -99.200 -91.000 TYR 107 0.840 -29.074 5.765 -1.864 -99.200 -91.000 TYR 109 0.840 -31.311 6.006 2.280 -99.200 -91.000 PHE 110 1.000 -27.910 0.532 8.526 -99.200 -91.000 HIS 111 0.900 -33.929 -1.996 0.454 -99.200 -91.000 HIS 120 0.900 -30.062 -3.184 15.378 -99.200 -91.000 TYR 131 0.840 -12.918 14.604 3.909 -99.200 -91.000 TRP 155 1.040 -12.759 19.300 -8.706 -99.200 -91.000 TRP6 155 1.020 -13.120 18.841 -6.407 -99.200 -91.000 PHE 175 1.000 -23.069 12.190 3.863 -99.200 -91.000 TYR 176 0.840 -28.811 16.981 8.053 -99.200 -91.000 HIS 190 0.900 -22.582 8.562 1.171 -99.200 -91.000 TRP 201 1.040 -4.458 6.871 7.398 -99.200 -91.000 TRP6 201 1.020 -4.825 4.944 8.737 -99.200 -91.000 TRP 206 1.040 -21.995 6.150 8.887 -99.200 -91.000 TRP6 206 1.020 -20.222 4.586 8.955 -99.200 -91.000 HIS 208 0.900 -28.345 4.590 13.854 -99.200 -91.000