============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 27 0.840 40.200 42.330 40.321 -99.200 -91.000 TYR 30 0.840 37.398 43.572 34.836 -99.200 -91.000 TRP 36 1.040 38.947 53.057 25.494 -99.200 -91.000 TRP6 36 1.020 38.239 51.324 24.044 -99.200 -91.000 TRP 46 1.040 30.143 50.638 21.480 -99.200 -91.000 TRP6 46 1.020 31.903 49.076 21.805 -99.200 -91.000 PHE 49 1.000 37.186 49.187 19.603 -99.200 -91.000 PHE 53 1.000 41.668 49.210 16.472 -99.200 -91.000 PHE 54 1.000 37.539 44.123 16.579 -99.200 -91.000 HIS 56 0.900 41.032 44.204 9.412 -99.200 -91.000 TYR 77 0.840 33.808 58.941 9.775 -99.200 -91.000 PHE 78 1.000 25.808 55.616 2.382 -99.200 -91.000 TYR 89 0.840 26.880 62.121 -13.517 -99.200 -91.000 PHE 104 1.000 37.034 57.060 -10.691 -99.200 -91.000 TRP 124 1.040 31.351 57.741 2.199 -99.200 -91.000 TRP6 124 1.020 30.545 55.726 1.225 -99.200 -91.000 TYR 132 0.840 35.150 61.013 5.213 -99.200 -91.000 PHE 134 1.000 25.233 65.372 6.158 -99.200 -91.000 TYR 142 0.840 23.130 65.833 1.855 -99.200 -91.000 PHE 144 1.000 35.219 67.287 -1.614 -99.200 -91.000 PHE 156 1.000 31.675 57.002 -12.925 -99.200 -91.000 TYR 166 0.840 39.109 60.407 9.373 -99.200 -91.000 TRP 183 1.040 49.071 49.588 17.962 -99.200 -91.000 TRP6 183 1.020 47.078 48.504 18.600 -99.200 -91.000 HIS 184 0.900 49.518 54.575 11.093 -99.200 -91.000 TRP 186 1.040 48.118 59.907 10.401 -99.200 -91.000 TRP6 186 1.020 47.117 61.773 9.359 -99.200 -91.000 HIS 190 0.900 39.601 56.673 2.595 -99.200 -91.000 HIS 192 0.900 34.843 55.498 2.374 -99.200 -91.000 TRP 193 1.040 34.256 54.571 -5.657 -99.200 -91.000 TRP6 193 1.020 33.546 56.099 -7.332 -99.200 -91.000 TYR 200 0.840 23.597 42.988 -13.425 -99.200 -91.000 TYR 208 0.840 42.358 52.202 -0.242 -99.200 -91.000 PHE 209 1.000 43.633 58.917 -4.970 -99.200 -91.000 TRP 214 1.040 49.424 58.090 6.335 -99.200 -91.000 TRP6 214 1.020 50.959 57.678 8.089 -99.200 -91.000 HIS 236 0.900 43.062 68.063 -15.632 -99.200 -91.000 PHE 237 1.000 47.636 65.284 -9.779 -99.200 -91.000 TYR 241 0.840 38.689 50.255 -10.179 -99.200 -91.000 PHE 243 1.000 34.007 51.415 -9.788 -99.200 -91.000