============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 15 1.000 20.970 19.367 12.795 -99.200 -91.000 PHE 21 1.000 8.032 26.081 15.073 -99.200 -91.000 TYR 25 0.840 12.973 38.498 20.855 -99.200 -91.000 HIS 34 0.900 22.264 26.368 9.523 -99.200 -91.000 PHE 41 1.000 26.893 14.025 17.897 -99.200 -91.000 HIS 42 0.900 30.608 7.671 20.850 -99.200 -91.000 PHE 53 1.000 34.137 21.166 37.696 -99.200 -91.000 PHE 56 1.000 38.730 19.066 35.955 -99.200 -91.000 HIS 62 0.900 40.109 23.743 36.423 -99.200 -91.000 PHE 69 1.000 35.742 38.648 38.846 -99.200 -91.000 PHE 75 1.000 16.496 34.682 40.574 -99.200 -91.000 HIS 76 0.900 15.889 38.336 43.569 -99.200 -91.000 TRP 95 1.040 17.419 38.992 37.075 -99.200 -91.000 TRP6 95 1.020 16.447 40.801 35.901 -99.200 -91.000 TRP 96 1.040 21.563 36.850 36.764 -99.200 -91.000 TRP6 96 1.020 21.980 34.671 37.583 -99.200 -91.000 HIS 103 0.900 33.692 27.552 45.744 -99.200 -91.000 TRP 104 1.040 33.719 23.390 42.089 -99.200 -91.000 TRP6 104 1.020 33.378 21.231 42.990 -99.200 -91.000 HIS 120 0.900 20.189 18.824 42.495 -99.200 -91.000 HIS 124 0.900 28.030 29.720 41.038 -99.200 -91.000 TRP 127 1.040 34.065 27.530 25.933 -99.200 -91.000 TRP6 127 1.020 36.315 27.402 25.190 -99.200 -91.000 TYR 133 0.840 34.295 16.676 33.793 -99.200 -91.000 TRP 136 1.040 40.899 14.392 34.897 -99.200 -91.000 TRP6 136 1.020 38.837 13.561 35.718 -99.200 -91.000 TRP 147 1.040 23.493 21.411 23.646 -99.200 -91.000 TRP6 147 1.020 21.267 22.209 23.561 -99.200 -91.000 TYR 149 0.840 21.748 14.397 15.224 -99.200 -91.000 TYR 160 0.840 8.916 24.316 23.364 -99.200 -91.000 TRP 162 1.040 8.532 18.617 24.921 -99.200 -91.000 TRP6 162 1.020 10.280 19.614 26.169 -99.200 -91.000 TRP 172 1.040 5.154 22.874 33.957 -99.200 -91.000 TRP6 172 1.020 6.205 24.366 32.458 -99.200 -91.000 TRP 177 1.040 10.130 32.222 37.412 -99.200 -91.000 TRP6 177 1.020 11.650 32.672 39.166 -99.200 -91.000 PHE 181 1.000 13.285 36.268 36.120 -99.200 -91.000 HIS 183 0.900 10.048 40.937 42.044 -99.200 -91.000 HIS 191 0.900 13.011 19.387 40.520 -99.200 -91.000 TYR 200 0.840 11.141 17.700 34.795 -99.200 -91.000 HIS 205 0.900 18.915 11.679 18.482 -99.200 -91.000 TRP 208 1.040 18.159 11.139 31.085 -99.200 -91.000 TRP6 208 1.020 16.210 10.538 32.283 -99.200 -91.000 TRP 215 1.040 21.458 29.771 30.359 -99.200 -91.000 TRP6 215 1.020 20.736 30.096 28.133 -99.200 -91.000 TRP 217 1.040 30.138 27.261 29.732 -99.200 -91.000 TRP6 217 1.020 30.397 29.433 28.818 -99.200 -91.000 TRP 221 1.040 35.805 31.826 19.168 -99.200 -91.000 TRP6 221 1.020 35.849 32.989 21.237 -99.200 -91.000 PHE 222 1.000 25.767 34.557 19.120 -99.200 -91.000 TYR 226 0.840 29.339 29.070 11.728 -99.200 -91.000 TYR 227 0.840 22.208 29.092 13.242 -99.200 -91.000 HIS 236 0.900 34.511 21.567 14.318 -99.200 -91.000 TYR 251 0.840 18.096 27.663 38.658 -99.200 -91.000 HIS 254 0.900 7.442 33.774 33.381 -99.200 -91.000 TYR 257 0.840 14.262 36.422 32.027 -99.200 -91.000 TYR 261 0.840 11.102 28.082 27.512 -99.200 -91.000 PHE 280 1.000 31.073 20.924 31.892 -99.200 -91.000