============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 19 1.040 5.590 29.042 12.294 -99.200 -91.000 TRP6 19 1.020 7.899 29.288 11.830 -99.200 -91.000 PHE 56 1.000 25.360 20.905 14.533 -99.200 -91.000 PHE 67 1.000 21.571 21.893 6.302 -99.200 -91.000 HIS 70 0.900 17.780 30.309 1.773 -99.200 -91.000 HIS 72 0.900 13.333 27.517 -2.701 -99.200 -91.000 TRP 80 1.040 24.193 27.357 0.030 -99.200 -91.000 TRP6 80 1.020 22.003 28.270 0.060 -99.200 -91.000 TYR 82 0.840 31.479 28.540 7.879 -99.200 -91.000 PHE 101 1.000 22.895 18.306 9.723 -99.200 -91.000 PHE 105 1.000 16.509 13.747 12.928 -99.200 -91.000 TYR 107 0.840 23.323 17.031 3.991 -99.200 -91.000 PHE 113 1.000 3.587 18.273 5.532 -99.200 -91.000 TYR 118 0.840 6.189 14.936 1.523 -99.200 -91.000 PHE 120 1.000 0.300 15.227 1.596 -99.200 -91.000 HIS 122 0.900 -8.295 8.264 6.232 -99.200 -91.000 PHE 128 1.000 1.808 5.866 18.207 -99.200 -91.000 PHE 134 1.000 -7.630 12.727 11.043 -99.200 -91.000 TYR 147 0.840 13.143 9.358 3.570 -99.200 -91.000 TRP 153 1.040 0.399 5.738 13.464 -99.200 -91.000 TRP6 153 1.020 1.920 4.848 11.866 -99.200 -91.000 HIS 158 0.900 -4.293 19.446 20.597 -99.200 -91.000 TYR 159 0.840 -6.337 17.939 11.908 -99.200 -91.000 PHE 166 1.000 11.052 9.528 7.959 -99.200 -91.000 TYR 167 0.840 7.313 1.860 5.219 -99.200 -91.000 PHE 179 1.000 7.580 14.455 15.077 -99.200 -91.000 TYR 182 0.840 4.020 17.540 19.341 -99.200 -91.000 TYR 185 0.840 6.603 27.217 22.442 -99.200 -91.000 TYR 189 0.840 1.774 29.575 15.530 -99.200 -91.000 TRP 190 1.040 -0.295 22.029 19.477 -99.200 -91.000 TRP6 190 1.020 -0.133 21.492 21.791 -99.200 -91.000 HIS 193 0.900 10.263 22.283 24.011 -99.200 -91.000 HIS 198 0.900 12.628 1.015 12.951 -99.200 -91.000 PHE 213 1.000 7.409 29.709 18.325 -99.200 -91.000 PHE 222 1.000 16.783 32.532 8.792 -99.200 -91.000