============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 11 0.840 16.138 4.572 -20.413 -99.200 -91.000 TYR 17 0.840 20.368 14.002 -9.196 -99.200 -91.000 TYR 30 0.840 13.540 11.196 11.159 -99.200 -91.000 PHE 43 1.000 12.581 3.088 -6.792 -99.200 -91.000 PHE 46 1.000 14.613 9.606 -8.793 -99.200 -91.000 HIS 58 0.900 7.346 17.260 -25.800 -99.200 -91.000 TYR 60 0.840 0.669 16.349 -23.951 -99.200 -91.000 HIS 70 0.900 -11.470 8.291 -8.210 -99.200 -91.000 TYR 71 0.840 -5.018 3.951 -14.787 -99.200 -91.000 PHE 74 1.000 2.759 11.412 -11.704 -99.200 -91.000 TYR 77 0.840 -6.006 18.161 -18.981 -99.200 -91.000 TYR 94 0.840 11.242 -9.318 -4.912 -99.200 -91.000 PHE 104 1.000 7.089 -4.351 -13.431 -99.200 -91.000 TYR 109 0.840 -9.481 -9.583 -13.281 -99.200 -91.000 PHE 112 1.000 -8.594 1.634 -14.837 -99.200 -91.000 TYR 122 0.840 -9.942 14.686 -16.367 -99.200 -91.000 PHE 124 1.000 -10.049 2.583 -20.431 -99.200 -91.000 TYR 127 0.840 -7.232 9.001 -18.934 -99.200 -91.000 HIS 130 0.900 -5.168 3.933 -20.457 -99.200 -91.000 TRP 131 1.040 2.513 6.146 -22.789 -99.200 -91.000 TRP6 131 1.020 3.406 8.321 -22.993 -99.200 -91.000 TYR 135 0.840 11.234 4.290 -11.247 -99.200 -91.000 TYR 137 0.840 13.195 -3.112 -4.778 -99.200 -91.000 TYR 150 0.840 22.461 7.829 9.013 -99.200 -91.000 TYR 162 0.840 18.365 2.270 -4.041 -99.200 -91.000 PHE 168 1.000 9.280 -1.489 -17.593 -99.200 -91.000 TRP 173 1.040 -1.071 -2.124 -26.553 -99.200 -91.000 TRP6 173 1.020 -0.398 -3.893 -27.969 -99.200 -91.000 HIS 192 0.900 8.184 -15.243 -14.406 -99.200 -91.000 HIS 194 0.900 15.614 -13.279 -18.121 -99.200 -91.000 TYR 195 0.840 15.200 -3.231 -17.624 -99.200 -91.000 PHE 198 1.000 8.384 -6.834 -18.004 -99.200 -91.000 PHE 205 1.000 -3.286 -9.995 -24.026 -99.200 -91.000 PHE 211 1.000 -4.592 -4.723 -21.803 -99.200 -91.000 TYR 214 0.840 -6.796 -13.194 -21.351 -99.200 -91.000 TRP 215 1.040 -5.949 -9.008 -19.036 -99.200 -91.000 TRP6 215 1.020 -5.811 -10.392 -17.135 -99.200 -91.000 TYR 218 0.840 -8.315 -13.859 -15.801 -99.200 -91.000 TYR 229 0.840 -10.980 -15.753 -21.600 -99.200 -91.000 TYR 235 0.840 -9.416 -13.582 -26.045 -99.200 -91.000 TRP 238 1.040 -15.186 -17.329 -24.579 -99.200 -91.000 TRP6 238 1.020 -15.133 -14.979 -24.755 -99.200 -91.000 TYR 240 0.840 -13.760 -22.628 -34.016 -99.200 -91.000