============================================================================= 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. PHE 17 1.000 37.068 -32.789 171.816 -99.200 -91.000 TYR 27 0.840 40.487 -33.595 181.034 -99.200 -91.000 HIS 56 0.900 25.628 -38.268 182.020 -99.200 -91.000 HIS 59 0.900 29.593 -33.591 182.551 -99.200 -91.000 HIS 87 0.900 14.404 -32.489 183.633 -99.200 -91.000 PHE 95 1.000 27.903 -37.748 185.692 -99.200 -91.000 HIS 99 0.900 30.438 -40.668 188.169 -99.200 -91.000 TYR 110 0.840 22.424 -23.901 178.754 -99.200 -91.000 TYR 111 0.840 16.857 -21.214 173.171 -99.200 -91.000 TYR 120 0.840 15.185 -18.531 196.483 -99.200 -91.000 HIS 122 0.900 18.547 -24.108 187.471 -99.200 -91.000 TYR 123 0.840 21.920 -21.193 190.211 -99.200 -91.000 TYR 137 0.840 30.308 -19.203 184.406 -99.200 -91.000 PHE 156 1.000 26.893 -16.482 201.539 -99.200 -91.000 TYR 163 0.840 32.053 -22.083 197.010 -99.200 -91.000 HIS 181 0.900 24.343 -3.873 199.325 -99.200 -91.000 TYR 194 0.840 45.216 -5.456 191.671 -99.200 -91.000 HIS 220 0.900 48.569 -19.239 195.182 -99.200 -91.000 PHE 221 1.000 53.408 -12.283 194.656 -99.200 -91.000 TYR 227 0.840 45.297 -5.668 197.536 -99.200 -91.000 TYR 238 0.840 44.234 -5.450 178.764 -99.200 -91.000 PHE 245 1.000 38.679 -14.784 177.356 -99.200 -91.000 TYR 257 0.840 48.475 -26.478 166.287 -99.200 -91.000 PHE 267 1.000 38.896 -25.337 168.462 -99.200 -91.000 PHE 279 1.000 47.358 -20.375 163.791 -99.200 -91.000 TYR 288 0.840 52.346 -12.783 177.985 -99.200 -91.000 PHE 293 1.000 52.563 -31.489 178.645 -99.200 -91.000