============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 8 1.040 6.966 5.064 26.484 -99.200 -91.000 TRP6 8 1.020 5.156 3.878 25.522 -99.200 -91.000 TYR 14 0.840 12.675 -7.174 24.847 -99.200 -91.000 HIS 41 0.900 24.846 7.115 20.677 -99.200 -91.000 PHE 54 1.000 21.095 4.115 -1.285 -99.200 -91.000 HIS 71 0.900 12.850 10.539 11.383 -99.200 -91.000 HIS 74 0.900 14.395 8.975 18.790 -99.200 -91.000 TYR 91 0.840 20.960 -2.632 27.115 -99.200 -91.000 TRP 100 1.040 23.133 -3.962 6.125 -99.200 -91.000 TRP6 100 1.020 22.284 -5.193 4.301 -99.200 -91.000 TYR 102 0.840 21.400 0.630 2.518 -99.200 -91.000 TYR 112 0.840 14.615 15.578 -3.753 -99.200 -91.000 HIS 122 0.900 22.989 -0.795 -2.734 -99.200 -91.000 TYR 155 0.840 14.759 -5.743 -7.336 -99.200 -91.000 TYR 157 0.840 6.866 -9.924 0.676 -99.200 -91.000 TYR 172 0.840 -9.158 12.167 16.172 -99.200 -91.000 TYR 179 0.840 -0.305 4.450 -0.676 -99.200 -91.000 TYR 201 0.840 0.809 -0.149 26.512 -99.200 -91.000 TYR 206 0.840 1.546 10.678 17.018 -99.200 -91.000 TYR 211 0.840 -8.474 4.222 3.211 -99.200 -91.000 TYR 218 0.840 -7.701 -10.230 13.510 -99.200 -91.000 TYR 235 0.840 16.709 8.995 26.713 -99.200 -91.000 TRP 238 1.040 19.525 14.449 18.728 -99.200 -91.000 TRP6 238 1.020 17.423 13.961 17.710 -99.200 -91.000 TYR 239 0.840 22.429 16.094 15.032 -99.200 -91.000 TYR 243 0.840 21.695 8.154 25.081 -99.200 -91.000 HIS 255 0.900 9.453 1.112 20.028 -99.200 -91.000 TRP 264 1.040 13.741 -13.937 9.220 -99.200 -91.000 TRP6 264 1.020 13.737 -12.269 7.535 -99.200 -91.000 TYR 292 0.840 -10.589 10.307 19.352 -99.200 -91.000 TYR 300 0.840 -11.255 2.861 11.400 -99.200 -91.000 PHE 304 1.000 -3.680 -8.388 10.840 -99.200 -91.000 PHE 306 1.000 2.626 -3.390 22.235 -99.200 -91.000