============================================================================= 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 27.729 -0.662 18.041 -99.200 -91.000 HIS 25 0.900 23.212 8.204 5.674 -99.200 -91.000 TYR 27 0.840 18.180 3.311 12.594 -99.200 -91.000 TYR 30 0.840 24.153 -3.473 10.216 -99.200 -91.000 TYR 40 0.840 14.297 -15.342 0.770 -99.200 -91.000 HIS 42 0.900 11.689 -19.703 -0.404 -99.200 -91.000 PHE 67 1.000 21.814 -15.889 14.181 -99.200 -91.000 PHE 90 1.000 18.328 1.599 31.145 -99.200 -91.000 PHE 105 1.000 21.139 12.609 30.593 -99.200 -91.000 HIS 125 0.900 6.918 18.209 30.525 -99.200 -91.000 HIS 126 0.900 10.064 13.463 24.604 -99.200 -91.000 TYR 133 0.840 3.433 8.095 32.471 -99.200 -91.000 PHE 134 1.000 12.681 1.835 30.970 -99.200 -91.000 PHE 137 1.000 5.426 6.293 27.556 -99.200 -91.000 TYR 164 0.840 -12.088 19.176 15.661 -99.200 -91.000 PHE 172 1.000 -7.038 0.354 14.846 -99.200 -91.000 HIS 188 0.900 -12.970 22.149 11.854 -99.200 -91.000 PHE 191 1.000 -4.469 23.218 9.016 -99.200 -91.000 HIS 203 0.900 -5.331 24.618 23.744 -99.200 -91.000 HIS 213 0.900 -9.735 13.266 34.670 -99.200 -91.000 PHE 214 1.000 -7.478 8.310 25.347 -99.200 -91.000 PHE 226 1.000 -0.839 15.826 22.826 -99.200 -91.000 TYR 241 0.840 -7.471 -1.059 30.414 -99.200 -91.000 HIS 243 0.900 -0.447 6.392 33.001 -99.200 -91.000 TYR 256 0.840 -8.011 11.107 4.701 -99.200 -91.000 TYR 257 0.840 -7.908 10.879 -0.522 -99.200 -91.000 TYR 262 0.840 3.617 11.398 8.270 -99.200 -91.000 PHE 263 1.000 0.186 10.149 12.322 -99.200 -91.000 PHE 269 1.000 4.539 1.688 1.813 -99.200 -91.000 HIS 276 0.900 9.567 3.337 -7.404 -99.200 -91.000 PHE 282 1.000 6.038 11.812 -10.321 -99.200 -91.000 TYR 287 0.840 2.411 19.256 5.217 -99.200 -91.000 PHE 311 1.000 0.612 3.068 -2.881 -99.200 -91.000 TYR 313 0.840 0.014 11.803 -9.677 -99.200 -91.000 TRP 316 1.040 6.244 1.361 -6.178 -99.200 -91.000 TRP6 316 1.020 6.478 1.616 -3.834 -99.200 -91.000 TYR 318 0.840 -4.244 1.015 -2.573 -99.200 -91.000