============================================================================= 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. TRP 14 1.040 14.903 18.100 14.130 -99.200 -91.000 TRP6 14 1.020 13.524 19.303 15.626 -99.200 -91.000 TRP 35 1.040 19.884 27.856 2.569 -99.200 -91.000 TRP6 35 1.020 21.694 27.606 1.079 -99.200 -91.000 HIS 41 0.900 31.336 11.117 6.440 -99.200 -91.000 PHE 43 1.000 27.135 15.585 0.072 -99.200 -91.000 TRP 49 1.040 29.147 16.042 -8.156 -99.200 -91.000 TRP6 49 1.020 29.371 16.299 -5.823 -99.200 -91.000 HIS 59 0.900 8.348 6.797 11.435 -99.200 -91.000 HIS 64 0.900 7.123 5.921 -0.979 -99.200 -91.000 TYR 82 0.840 35.733 16.800 3.739 -99.200 -91.000 HIS 89 0.900 37.792 22.611 9.104 -99.200 -91.000 HIS 97 0.900 14.808 23.341 -8.891 -99.200 -91.000 HIS 105 0.900 3.225 14.212 10.344 -99.200 -91.000 PHE 116 1.000 21.301 29.253 23.161 -99.200 -91.000 PHE 123 1.000 29.950 24.254 29.178 -99.200 -91.000 PHE 126 1.000 22.129 12.201 29.221 -99.200 -91.000 TRP 132 1.040 15.397 6.310 8.151 -99.200 -91.000 TRP6 132 1.020 15.360 8.631 7.759 -99.200 -91.000 TYR 173 0.840 37.853 24.241 13.278 -99.200 -91.000 PHE 175 1.000 29.665 17.660 19.876 -99.200 -91.000 TYR 179 0.840 25.509 6.353 26.702 -99.200 -91.000 HIS 195 0.900 24.958 16.408 19.698 -99.200 -91.000 HIS 198 0.900 13.755 20.397 24.725 -99.200 -91.000 TYR 199 0.840 18.864 26.722 27.616 -99.200 -91.000 TRP 203 1.040 13.876 19.623 20.839 -99.200 -91.000 TRP6 203 1.020 15.226 17.877 21.668 -99.200 -91.000 TYR 204 0.840 18.123 26.632 20.454 -99.200 -91.000 TRP 211 1.040 35.709 11.619 13.344 -99.200 -91.000 TRP6 211 1.020 37.411 10.605 14.632 -99.200 -91.000 HIS 220 0.900 38.122 3.478 20.727 -99.200 -91.000 PHE 221 1.000 33.377 8.390 25.438 -99.200 -91.000 TYR 224 0.840 27.845 12.728 17.431 -99.200 -91.000 TYR 230 0.840 32.514 24.103 10.881 -99.200 -91.000 TRP 233 1.040 32.042 28.203 5.734 -99.200 -91.000 TRP6 233 1.020 31.025 26.156 5.132 -99.200 -91.000 PHE 252 1.000 35.838 27.397 9.169 -99.200 -91.000