============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 11 1.000 2.208 34.848 -1.614 -99.200 -91.000 HIS 14 0.900 -1.131 40.067 -0.890 -99.200 -91.000 PHE 15 1.000 6.268 38.284 1.205 -99.200 -91.000 TYR 24 0.840 1.304 51.520 6.787 -99.200 -91.000 TYR 30 0.840 1.449 38.980 13.590 -99.200 -91.000 TYR 56 0.840 6.824 27.186 29.407 -99.200 -91.000 TYR 62 0.840 -8.226 29.991 23.604 -99.200 -91.000 TYR 74 0.840 -5.325 20.704 32.058 -99.200 -91.000 TYR 79 0.840 -9.503 17.055 20.374 -99.200 -91.000 PHE 85 1.000 -9.072 14.370 7.226 -99.200 -91.000 TYR 89 0.840 -2.441 19.774 11.819 -99.200 -91.000 PHE 103 1.000 3.294 13.256 24.299 -99.200 -91.000 TRP 104 1.040 4.669 8.525 26.065 -99.200 -91.000 TRP6 104 1.020 4.982 8.460 23.711 -99.200 -91.000 TRP 108 1.040 -4.032 3.127 23.724 -99.200 -91.000 TRP6 108 1.020 -2.982 1.644 22.199 -99.200 -91.000 HIS 113 0.900 -1.917 5.327 13.852 -99.200 -91.000 HIS 120 0.900 15.712 13.281 24.599 -99.200 -91.000 TYR 121 0.840 7.966 13.336 24.438 -99.200 -91.000 TRP 122 1.040 12.730 9.597 22.974 -99.200 -91.000 TRP6 122 1.020 12.358 11.889 22.533 -99.200 -91.000 TYR 130 0.840 4.470 -1.924 32.036 -99.200 -91.000 TYR 131 0.840 7.321 6.387 29.075 -99.200 -91.000 TRP 147 1.040 13.766 15.444 8.940 -99.200 -91.000 TRP6 147 1.020 13.958 17.225 7.389 -99.200 -91.000 PHE 152 1.000 9.354 6.574 20.233 -99.200 -91.000 HIS 163 0.900 -0.147 -4.692 17.172 -99.200 -91.000 HIS 168 0.900 9.353 12.409 18.696 -99.200 -91.000 PHE 169 1.000 7.783 11.966 11.075 -99.200 -91.000 HIS 170 0.900 14.040 16.802 18.477 -99.200 -91.000 TYR 171 0.840 13.280 22.076 11.518 -99.200 -91.000 TRP 174 1.040 12.389 27.554 14.751 -99.200 -91.000 TRP6 174 1.020 10.369 26.912 13.715 -99.200 -91.000 HIS 177 0.900 17.763 33.724 21.072 -99.200 -91.000 PHE 189 1.000 10.030 18.411 10.572 -99.200 -91.000 TYR 196 0.840 8.036 9.075 6.926 -99.200 -91.000 HIS 209 0.900 6.453 18.078 21.920 -99.200 -91.000 PHE 220 1.000 4.787 20.479 11.179 -99.200 -91.000 TYR 239 0.840 -6.360 37.733 8.179 -99.200 -91.000 HIS 243 0.900 -10.113 34.110 11.879 -99.200 -91.000 HIS 248 0.900 -10.073 25.708 16.048 -99.200 -91.000 HIS 251 0.900 0.721 33.180 23.117 -99.200 -91.000 TYR 259 0.840 0.614 36.927 8.659 -99.200 -91.000 TYR 261 0.840 10.330 30.251 7.647 -99.200 -91.000 HIS 263 0.900 2.303 36.422 4.165 -99.200 -91.000