============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 16 1.000 27.951 -0.597 18.034 -99.200 -91.000 HIS 25 0.900 23.579 8.333 5.627 -99.200 -91.000 TYR 27 0.840 18.273 3.352 12.501 -99.200 -91.000 TYR 30 0.840 24.261 -3.513 10.232 -99.200 -91.000 TYR 40 0.840 14.347 -15.427 0.885 -99.200 -91.000 HIS 42 0.900 11.579 -19.578 -0.335 -99.200 -91.000 PHE 67 1.000 21.891 -15.735 14.362 -99.200 -91.000 PHE 90 1.000 18.362 1.459 30.850 -99.200 -91.000 PHE 105 1.000 21.159 12.588 30.467 -99.200 -91.000 HIS 125 0.900 6.999 18.246 30.302 -99.200 -91.000 HIS 126 0.900 10.041 13.527 24.423 -99.200 -91.000 TYR 133 0.840 3.501 8.284 32.434 -99.200 -91.000 PHE 134 1.000 12.743 2.081 30.679 -99.200 -91.000 PHE 137 1.000 5.422 6.413 27.550 -99.200 -91.000 TYR 164 0.840 -11.985 19.227 15.574 -99.200 -91.000 PHE 172 1.000 -7.031 0.403 14.904 -99.200 -91.000 HIS 188 0.900 -13.095 22.150 11.810 -99.200 -91.000 PHE 191 1.000 -4.484 23.243 9.022 -99.200 -91.000 HIS 203 0.900 -5.095 24.610 23.665 -99.200 -91.000 HIS 213 0.900 -9.599 13.532 34.628 -99.200 -91.000 PHE 214 1.000 -7.381 8.353 25.378 -99.200 -91.000 PHE 226 1.000 -0.842 16.044 22.925 -99.200 -91.000 TYR 241 0.840 -7.340 -0.985 30.459 -99.200 -91.000 HIS 243 0.900 -0.360 6.556 32.920 -99.200 -91.000 TYR 256 0.840 -7.872 11.180 4.791 -99.200 -91.000 TYR 257 0.840 -7.813 10.917 -0.493 -99.200 -91.000 TYR 262 0.840 3.723 11.379 8.362 -99.200 -91.000 PHE 263 1.000 0.208 10.138 12.326 -99.200 -91.000 PHE 269 1.000 4.503 1.795 1.791 -99.200 -91.000 HIS 276 0.900 9.442 3.428 -7.482 -99.200 -91.000 PHE 282 1.000 6.140 11.844 -10.332 -99.200 -91.000 TYR 287 0.840 2.494 19.187 5.284 -99.200 -91.000 PHE 311 1.000 0.616 3.020 -2.895 -99.200 -91.000 TYR 313 0.840 0.160 11.909 -9.728 -99.200 -91.000 TRP 316 1.040 6.388 1.323 -6.146 -99.200 -91.000 TRP6 316 1.020 6.695 1.572 -3.806 -99.200 -91.000 TYR 318 0.840 -4.077 1.145 -2.632 -99.200 -91.000