============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 10 0.840 -20.039 -27.121 1.445 -99.200 -91.000 HIS 18 0.900 -22.769 -30.193 10.578 -99.200 -91.000 PHE 26 1.000 -26.086 -22.906 -7.339 -99.200 -91.000 HIS 43 0.900 -42.059 -5.418 -5.540 -99.200 -91.000 PHE 48 1.000 -42.914 -11.403 -5.847 -99.200 -91.000 TRP 71 1.040 -46.998 -20.914 -5.805 -99.200 -91.000 TRP6 71 1.020 -45.620 -22.533 -4.754 -99.200 -91.000 HIS 95 0.900 -24.302 -34.282 -11.266 -99.200 -91.000 TYR 103 0.840 -35.037 -38.449 2.909 -99.200 -91.000 TYR 116 0.840 -40.319 -13.046 4.308 -99.200 -91.000 TYR 123 0.840 -43.766 -18.220 7.015 -99.200 -91.000 HIS 126 0.900 -41.693 -21.888 8.613 -99.200 -91.000 TYR 141 0.840 -29.606 -17.741 -6.052 -99.200 -91.000 TYR 142 0.840 -31.705 -16.966 1.639 -99.200 -91.000 TRP 147 1.040 -30.124 -8.862 4.477 -99.200 -91.000 TRP6 147 1.020 -32.157 -7.882 3.792 -99.200 -91.000 PHE 159 1.000 -35.098 -21.908 16.544 -99.200 -91.000 PHE 166 1.000 -30.570 -18.991 18.504 -99.200 -91.000 PHE 173 1.000 -25.791 -11.268 -5.986 -99.200 -91.000 PHE 178 1.000 -29.016 -27.788 -1.766 -99.200 -91.000 PHE 179 1.000 -34.529 -25.408 5.393 -99.200 -91.000 TRP 180 1.040 -31.887 -33.711 6.685 -99.200 -91.000 TRP6 180 1.020 -31.445 -34.699 4.574 -99.200 -91.000 HIS 187 0.900 -37.737 -23.482 8.233 -99.200 -91.000 TYR 193 0.840 -37.084 -4.075 11.137 -99.200 -91.000 TYR 197 0.840 -37.349 -9.061 -4.291 -99.200 -91.000 TRP 202 1.040 -40.253 -26.745 0.318 -99.200 -91.000 TRP6 202 1.020 -41.537 -24.847 -0.328 -99.200 -91.000 TYR 203 0.840 -34.929 -30.314 -5.506 -99.200 -91.000 PHE 204 1.000 -43.062 -33.035 -4.047 -99.200 -91.000