============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 2 0.900 30.099 31.643 17.415 -99.200 -91.000 TYR 4 0.840 24.934 23.314 20.168 -99.200 -91.000 PHE 10 1.000 7.993 27.622 30.429 -99.200 -91.000 PHE 23 1.000 23.723 28.131 18.556 -99.200 -91.000 PHE 24 1.000 26.209 30.061 26.607 -99.200 -91.000 PHE 48 1.000 21.888 32.854 17.393 -99.200 -91.000 PHE 63 1.000 17.809 35.901 14.868 -99.200 -91.000 PHE 71 1.000 8.900 38.396 26.456 -99.200 -91.000 HIS 74 0.900 10.929 27.685 23.861 -99.200 -91.000 HIS 86 0.900 28.149 31.262 31.028 -99.200 -91.000 HIS 90 0.900 19.283 36.401 44.735 -99.200 -91.000 TYR 93 0.840 18.002 43.060 36.956 -99.200 -91.000 PHE 103 1.000 14.420 35.740 32.654 -99.200 -91.000 TRP 124 1.040 -7.175 43.196 26.251 -99.200 -91.000 TRP6 124 1.020 -5.777 43.539 28.131 -99.200 -91.000 PHE 144 1.000 -14.368 31.166 28.844 -99.200 -91.000 TYR 149 0.840 -4.944 38.756 25.608 -99.200 -91.000 HIS 150 0.900 2.770 43.937 20.565 -99.200 -91.000 HIS 155 0.900 1.726 34.336 21.922 -99.200 -91.000 PHE 157 1.000 -4.035 33.518 24.829 -99.200 -91.000 HIS 170 0.900 -6.701 15.234 14.359 -99.200 -91.000 HIS 173 0.900 1.420 24.524 8.872 -99.200 -91.000 PHE 179 1.000 -6.344 33.425 11.016 -99.200 -91.000 HIS 180 0.900 0.354 36.430 6.536 -99.200 -91.000 PHE 187 1.000 -8.778 29.368 26.736 -99.200 -91.000 TRP 194 1.040 -6.873 27.072 33.495 -99.200 -91.000 TRP6 194 1.020 -8.992 27.282 32.488 -99.200 -91.000 PHE 199 1.000 -2.631 23.714 17.031 -99.200 -91.000 TYR 203 0.840 5.070 34.456 15.803 -99.200 -91.000 HIS 221 0.900 -8.885 35.304 26.635 -99.200 -91.000 HIS 225 0.900 -13.071 36.977 28.269 -99.200 -91.000 PHE 230 1.000 -7.224 40.435 36.390 -99.200 -91.000 PHE 249 1.000 4.969 25.795 37.857 -99.200 -91.000 PHE 271 1.000 18.977 15.920 24.640 -99.200 -91.000