============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 11 0.840 -11.809 48.946 26.798 -99.200 -91.000 PHE 30 1.000 -26.000 62.325 43.787 -99.200 -91.000 TYR 34 0.840 -20.549 58.779 43.715 -99.200 -91.000 HIS 35 0.900 -23.103 53.527 43.317 -99.200 -91.000 HIS 40 0.900 -21.171 53.171 32.527 -99.200 -91.000 PHE 44 1.000 -21.182 61.974 27.029 -99.200 -91.000 PHE 62 1.000 -22.283 64.224 41.206 -99.200 -91.000 HIS 66 0.900 -11.220 74.918 41.220 -99.200 -91.000 HIS 68 0.900 -10.217 77.983 35.397 -99.200 -91.000 TYR 71 0.840 -11.373 78.569 31.411 -99.200 -91.000 HIS 73 0.900 -19.616 84.905 38.358 -99.200 -91.000 HIS 86 0.900 -17.039 85.353 21.222 -99.200 -91.000 TRP 96 1.040 -6.223 64.389 23.196 -99.200 -91.000 TRP6 96 1.020 -8.325 63.362 23.582 -99.200 -91.000 HIS 97 0.900 -8.537 70.239 28.342 -99.200 -91.000 PHE 102 1.000 -4.128 75.206 37.055 -99.200 -91.000 TRP 126 1.040 -15.057 63.689 28.834 -99.200 -91.000 TRP6 126 1.020 -16.743 64.650 27.489 -99.200 -91.000 TYR 133 0.840 -1.944 51.026 35.297 -99.200 -91.000 PHE 140 1.000 6.542 51.407 28.086 -99.200 -91.000 HIS 151 0.900 0.127 67.242 36.291 -99.200 -91.000 PHE 153 1.000 -2.483 79.266 35.289 -99.200 -91.000 PHE 157 1.000 -5.811 78.293 31.856 -99.200 -91.000 TYR 160 0.840 1.093 82.747 23.688 -99.200 -91.000 TYR 162 0.840 -4.847 83.854 29.998 -99.200 -91.000 HIS 169 0.900 3.167 90.190 31.982 -99.200 -91.000 TRP 172 1.040 -0.742 84.590 33.201 -99.200 -91.000 TRP6 172 1.020 1.595 84.363 33.500 -99.200 -91.000 HIS 184 0.900 -1.213 66.854 40.899 -99.200 -91.000 HIS 190 0.900 -11.944 57.015 41.196 -99.200 -91.000 PHE 199 1.000 -4.289 63.138 37.687 -99.200 -91.000 PHE 204 1.000 -3.739 72.424 32.742 -99.200 -91.000 PHE 222 1.000 3.760 54.550 25.032 -99.200 -91.000 PHE 224 1.000 2.004 64.612 27.029 -99.200 -91.000 HIS 226 0.900 -1.229 53.780 25.707 -99.200 -91.000 PHE 232 1.000 -6.249 53.175 25.309 -99.200 -91.000 TRP 236 1.040 -22.536 64.262 23.932 -99.200 -91.000 TRP6 236 1.020 -23.912 62.350 24.058 -99.200 -91.000 TRP 238 1.040 -20.857 68.908 23.088 -99.200 -91.000 TRP6 238 1.020 -21.364 68.571 25.370 -99.200 -91.000 TRP 246 1.040 -15.098 65.700 33.015 -99.200 -91.000 TRP6 246 1.020 -16.274 67.514 32.064 -99.200 -91.000 HIS 253 0.900 -12.372 68.017 29.362 -99.200 -91.000 TYR 254 0.840 -8.632 67.618 20.872 -99.200 -91.000 TYR 259 0.840 -16.927 75.994 18.229 -99.200 -91.000 HIS 267 0.900 -24.409 78.698 31.404 -99.200 -91.000 PHE 277 1.000 -4.833 58.068 47.039 -99.200 -91.000 TYR 278 0.840 1.176 53.692 42.534 -99.200 -91.000