============================================================================= 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 18.691 0.921 39.467 -99.200 -91.000 HIS 25 0.900 13.212 9.165 27.129 -99.200 -91.000 TYR 27 0.840 8.991 2.823 33.357 -99.200 -91.000 TYR 30 0.840 16.356 -2.415 31.439 -99.200 -91.000 TYR 40 0.840 10.457 -15.842 20.848 -99.200 -91.000 HIS 42 0.900 8.727 -20.385 19.058 -99.200 -91.000 PHE 67 1.000 16.366 -15.232 35.084 -99.200 -91.000 PHE 90 1.000 8.482 0.757 51.725 -99.200 -91.000 PHE 105 1.000 9.454 12.419 51.741 -99.200 -91.000 HIS 125 0.900 -5.718 15.404 50.801 -99.200 -91.000 HIS 126 0.900 -1.430 11.692 45.232 -99.200 -91.000 TYR 133 0.840 -7.270 5.088 52.430 -99.200 -91.000 PHE 134 1.000 3.072 0.677 51.229 -99.200 -91.000 PHE 137 1.000 -4.720 3.886 47.659 -99.200 -91.000 TYR 164 0.840 -23.675 13.302 34.011 -99.200 -91.000 PHE 172 1.000 -15.061 -4.188 34.170 -99.200 -91.000 HIS 188 0.900 -25.063 15.744 29.948 -99.200 -91.000 PHE 191 1.000 -16.507 18.482 27.577 -99.200 -91.000 HIS 203 0.900 -18.591 19.776 42.631 -99.200 -91.000 HIS 213 0.900 -21.496 8.263 53.690 -99.200 -91.000 PHE 214 1.000 -17.819 3.577 44.419 -99.200 -91.000 PHE 226 1.000 -12.589 12.057 42.273 -99.200 -91.000 TYR 241 0.840 -16.599 -5.579 50.014 -99.200 -91.000 HIS 243 0.900 -10.839 2.751 52.683 -99.200 -91.000 TYR 256 0.840 -17.631 6.237 24.370 -99.200 -91.000 TYR 257 0.840 -17.361 4.976 19.457 -99.200 -91.000 TYR 262 0.840 -5.263 7.823 27.208 -99.200 -91.000 PHE 263 1.000 -9.309 6.529 31.625 -99.200 -91.000 PHE 269 1.000 -3.796 -1.409 21.458 -99.200 -91.000 HIS 276 0.900 1.133 0.248 12.409 -99.200 -91.000 PHE 282 1.000 -4.259 8.051 9.073 -99.200 -91.000 TYR 287 0.840 -8.996 14.822 24.931 -99.200 -91.000 PHE 311 1.000 -7.807 -1.393 16.735 -99.200 -91.000 TYR 313 0.840 -9.851 7.088 9.859 -99.200 -91.000 TRP 316 1.040 -1.451 -2.298 13.724 -99.200 -91.000 TRP6 316 1.020 -1.224 -1.753 16.014 -99.200 -91.000 TYR 318 0.840 -11.983 -4.235 16.825 -99.200 -91.000