============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 8 0.900 -4.034 7.927 11.685 -99.200 -91.000 TRP 12 1.040 12.225 10.561 11.908 -99.200 -91.000 TRP6 12 1.020 11.988 9.824 9.699 -99.200 -91.000 HIS 16 0.900 22.065 18.509 8.862 -99.200 -91.000 PHE 45 1.000 20.484 20.499 13.460 -99.200 -91.000 PHE 47 1.000 13.589 20.723 8.918 -99.200 -91.000 PHE 62 1.000 4.701 14.310 3.602 -99.200 -91.000 TYR 71 0.840 -6.398 13.114 4.674 -99.200 -91.000 TYR 87 0.840 -0.975 17.272 4.951 -99.200 -91.000 HIS 92 0.900 -14.500 15.964 8.623 -99.200 -91.000 PHE 120 1.000 -7.851 22.061 12.392 -99.200 -91.000 TYR 123 0.840 -17.832 18.838 11.438 -99.200 -91.000 PHE 127 1.000 -9.857 19.055 16.138 -99.200 -91.000 PHE 129 1.000 -3.379 18.829 15.450 -99.200 -91.000 TYR 146 0.840 13.003 18.801 31.116 -99.200 -91.000 TYR 148 0.840 5.097 24.430 28.954 -99.200 -91.000 TYR 154 0.840 -2.624 28.699 20.998 -99.200 -91.000 PHE 163 1.000 -11.770 17.765 20.367 -99.200 -91.000 PHE 165 1.000 -4.650 15.827 19.416 -99.200 -91.000 TRP 166 1.040 4.297 20.473 22.715 -99.200 -91.000 TRP6 166 1.020 3.912 22.287 24.127 -99.200 -91.000 HIS 180 0.900 18.937 0.202 35.887 -99.200 -91.000 PHE 196 1.000 15.573 4.775 36.528 -99.200 -91.000 PHE 208 1.000 6.117 19.640 27.838 -99.200 -91.000 TRP 211 1.040 -0.142 19.999 27.791 -99.200 -91.000 TRP6 211 1.020 -0.792 20.025 25.538 -99.200 -91.000 PHE 218 1.000 6.723 4.075 21.616 -99.200 -91.000 TYR 222 0.840 19.052 10.128 20.835 -99.200 -91.000 PHE 224 1.000 16.963 2.432 17.768 -99.200 -91.000 TYR 231 0.840 18.153 1.133 21.763 -99.200 -91.000 TRP 239 1.040 10.438 5.609 25.046 -99.200 -91.000 TRP6 239 1.020 11.132 4.759 27.128 -99.200 -91.000 TYR 245 0.840 -4.295 12.129 25.531 -99.200 -91.000 TYR 258 0.840 2.913 7.599 22.156 -99.200 -91.000 TYR 264 0.840 8.848 5.206 7.664 -99.200 -91.000 HIS 269 0.900 16.294 11.461 17.634 -99.200 -91.000 PHE 276 1.000 -3.637 11.137 20.058 -99.200 -91.000