============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 30 0.840 30.744 46.756 25.653 -99.200 -91.000 TYR 36 0.840 28.943 41.302 27.235 -99.200 -91.000 TRP 39 1.040 33.810 29.883 33.819 -99.200 -91.000 TRP6 39 1.020 36.072 29.229 34.051 -99.200 -91.000 TYR 53 0.840 23.738 32.631 29.678 -99.200 -91.000 PHE 66 1.000 29.415 21.768 36.370 -99.200 -91.000 PHE 75 1.000 36.068 37.399 35.620 -99.200 -91.000 TYR 90 0.840 35.132 21.609 33.567 -99.200 -91.000 TYR 91 0.840 39.872 24.846 26.362 -99.200 -91.000 HIS 97 0.900 38.373 44.453 26.714 -99.200 -91.000 PHE 98 1.000 36.865 41.584 16.569 -99.200 -91.000 TYR 100 0.840 34.389 37.793 20.434 -99.200 -91.000 PHE 102 1.000 37.930 30.291 23.096 -99.200 -91.000 PHE 122 1.000 43.742 -10.309 20.959 -99.200 -91.000 PHE 139 1.000 43.837 -4.950 21.749 -99.200 -91.000 PHE 143 1.000 44.585 0.376 32.777 -99.200 -91.000 TYR 144 0.840 41.602 5.801 38.678 -99.200 -91.000 TRP 152 1.040 55.062 -6.736 25.701 -99.200 -91.000 TRP6 152 1.020 53.656 -8.193 24.493 -99.200 -91.000 TRP 167 1.040 47.927 3.978 29.581 -99.200 -91.000 TRP6 167 1.020 50.165 3.988 28.835 -99.200 -91.000 TYR 177 0.840 42.705 6.423 32.869 -99.200 -91.000 TYR 190 0.840 55.822 -15.214 16.208 -99.200 -91.000 HIS 193 0.900 63.609 -15.856 21.206 -99.200 -91.000 TYR 196 0.840 56.822 -14.791 21.269 -99.200 -91.000 HIS 202 0.900 46.038 -2.480 40.173 -99.200 -91.000 PHE 213 1.000 51.388 -15.773 21.436 -99.200 -91.000