============================================================================= 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 30.057 31.531 17.223 -99.200 -91.000 TYR 4 0.840 24.969 23.205 20.015 -99.200 -91.000 PHE 10 1.000 8.122 27.395 30.138 -99.200 -91.000 PHE 23 1.000 23.744 27.942 18.375 -99.200 -91.000 PHE 24 1.000 26.154 29.901 26.392 -99.200 -91.000 PHE 48 1.000 21.879 32.583 17.192 -99.200 -91.000 PHE 63 1.000 17.725 35.578 14.651 -99.200 -91.000 PHE 71 1.000 8.905 38.009 26.130 -99.200 -91.000 HIS 74 0.900 11.146 27.287 23.621 -99.200 -91.000 HIS 86 0.900 28.210 31.222 30.850 -99.200 -91.000 HIS 90 0.900 19.205 36.045 44.283 -99.200 -91.000 TYR 93 0.840 17.911 42.787 36.657 -99.200 -91.000 PHE 103 1.000 14.398 35.415 32.408 -99.200 -91.000 TRP 124 1.040 -7.015 42.814 25.875 -99.200 -91.000 TRP6 124 1.020 -5.699 43.195 27.778 -99.200 -91.000 PHE 144 1.000 -14.211 30.971 28.517 -99.200 -91.000 TYR 149 0.840 -4.804 38.393 25.244 -99.200 -91.000 HIS 150 0.900 2.899 43.464 20.197 -99.200 -91.000 HIS 155 0.900 1.808 33.977 21.679 -99.200 -91.000 PHE 157 1.000 -3.860 33.110 24.513 -99.200 -91.000 HIS 170 0.900 -6.663 14.950 14.400 -99.200 -91.000 HIS 173 0.900 1.596 24.280 8.662 -99.200 -91.000 PHE 179 1.000 -6.166 32.939 10.748 -99.200 -91.000 HIS 180 0.900 0.414 35.948 6.323 -99.200 -91.000 PHE 187 1.000 -8.612 29.034 26.467 -99.200 -91.000 TRP 194 1.040 -6.750 26.853 33.235 -99.200 -91.000 TRP6 194 1.020 -8.822 27.029 32.155 -99.200 -91.000 PHE 199 1.000 -2.545 23.285 16.912 -99.200 -91.000 TYR 203 0.840 5.146 33.929 15.556 -99.200 -91.000 HIS 221 0.900 -8.709 34.901 26.316 -99.200 -91.000 HIS 225 0.900 -12.909 36.694 27.967 -99.200 -91.000 PHE 230 1.000 -7.153 40.201 35.886 -99.200 -91.000 PHE 249 1.000 5.162 25.753 37.666 -99.200 -91.000 PHE 271 1.000 19.092 15.844 24.527 -99.200 -91.000