============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 14 0.900 38.062 3.154 29.421 -99.200 -91.000 HIS 35 0.900 22.582 13.951 30.025 -99.200 -91.000 PHE 56 1.000 18.681 -3.853 27.831 -99.200 -91.000 PHE 65 1.000 8.060 -4.052 31.600 -99.200 -91.000 TYR 88 0.840 -7.341 -14.161 44.173 -99.200 -91.000 HIS 106 0.900 10.792 -10.944 45.657 -99.200 -91.000 TYR 111 0.840 15.265 -23.324 47.710 -99.200 -91.000 TYR 113 0.840 12.420 -21.307 40.050 -99.200 -91.000 PHE 118 1.000 20.124 -20.591 36.605 -99.200 -91.000 PHE 125 1.000 23.026 -20.085 28.976 -99.200 -91.000 PHE 133 1.000 12.241 -25.533 33.492 -99.200 -91.000 TYR 135 0.840 3.392 -18.962 34.136 -99.200 -91.000 HIS 145 0.900 15.008 -26.779 47.868 -99.200 -91.000 TYR 155 0.840 13.786 -8.606 50.152 -99.200 -91.000 TYR 157 0.840 14.892 -11.179 43.773 -99.200 -91.000 PHE 162 1.000 7.166 -10.346 41.361 -99.200 -91.000 HIS 175 0.900 -7.216 -12.162 27.956 -99.200 -91.000 TYR 181 0.840 4.338 -9.252 31.004 -99.200 -91.000 PHE 186 1.000 5.510 -5.476 26.620 -99.200 -91.000 PHE 195 1.000 9.964 -6.777 20.349 -99.200 -91.000 TYR 196 0.840 6.875 -13.150 28.618 -99.200 -91.000 HIS 198 0.900 8.083 -19.097 28.022 -99.200 -91.000 HIS 207 0.900 20.095 -9.881 18.971 -99.200 -91.000 TYR 211 0.840 29.336 -12.058 24.148 -99.200 -91.000 TRP 231 1.040 16.137 -19.484 33.273 -99.200 -91.000 TRP6 231 1.020 16.544 -17.727 34.794 -99.200 -91.000 PHE 248 1.000 7.340 -0.630 33.307 -99.200 -91.000 PHE 249 1.000 11.229 0.481 35.935 -99.200 -91.000 TRP 269 1.040 9.671 2.332 49.666 -99.200 -91.000 TRP6 269 1.020 9.796 1.443 47.467 -99.200 -91.000 TYR 278 0.840 11.240 -6.287 45.386 -99.200 -91.000 TYR 294 0.840 11.567 5.985 44.567 -99.200 -91.000 HIS 296 0.900 13.270 -5.661 40.138 -99.200 -91.000 TYR 303 0.840 21.664 -10.046 27.336 -99.200 -91.000 TYR 304 0.840 25.729 -8.584 36.166 -99.200 -91.000 TYR 306 0.840 22.664 -1.732 38.462 -99.200 -91.000 PHE 308 1.000 16.939 0.960 40.275 -99.200 -91.000 PHE 341 1.000 18.346 8.901 38.881 -99.200 -91.000