============================================================================= 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 3 1.000 19.149 -1.700 -5.729 -99.200 -91.000 TYR 11 0.840 34.480 -1.462 -7.776 -99.200 -91.000 TYR 12 0.840 32.722 1.364 -1.257 -99.200 -91.000 PHE 23 1.000 14.973 -10.183 9.335 -99.200 -91.000 TYR 38 0.840 31.423 7.033 1.264 -99.200 -91.000 PHE 42 1.000 27.974 -5.457 4.180 -99.200 -91.000 HIS 72 0.900 17.773 19.239 6.112 -99.200 -91.000 HIS 79 0.900 29.513 7.577 -2.515 -99.200 -91.000 TYR 82 0.840 28.984 -1.492 -4.922 -99.200 -91.000 PHE 101 1.000 19.873 3.416 23.988 -99.200 -91.000 PHE 103 1.000 25.615 13.548 24.131 -99.200 -91.000 PHE 118 1.000 21.597 16.229 21.451 -99.200 -91.000 TYR 127 0.840 9.691 22.851 7.135 -99.200 -91.000 TYR 128 0.840 15.175 17.253 2.702 -99.200 -91.000 HIS 130 0.900 6.733 14.829 8.756 -99.200 -91.000 HIS 136 0.900 12.919 7.684 10.432 -99.200 -91.000 PHE 137 1.000 4.825 5.922 8.794 -99.200 -91.000 PHE 161 1.000 15.661 8.229 6.198 -99.200 -91.000 HIS 165 0.900 6.041 2.468 4.144 -99.200 -91.000 PHE 169 1.000 -3.409 8.152 -2.981 -99.200 -91.000 PHE 173 1.000 -5.615 -0.797 5.676 -99.200 -91.000 PHE 177 1.000 2.935 -2.109 16.337 -99.200 -91.000 PHE 182 1.000 11.375 5.709 21.524 -99.200 -91.000 TYR 190 0.840 -2.224 -3.799 14.320 -99.200 -91.000 TRP 200 1.040 3.042 9.060 20.143 -99.200 -91.000 TRP6 200 1.020 1.118 9.378 21.487 -99.200 -91.000 TYR 207 0.840 7.768 12.004 29.833 -99.200 -91.000 PHE 216 1.000 2.734 7.509 26.016 -99.200 -91.000 TYR 233 0.840 1.759 12.364 28.463 -99.200 -91.000 PHE 235 1.000 4.409 16.657 30.838 -99.200 -91.000 TYR 239 0.840 11.786 10.854 36.593 -99.200 -91.000 PHE 240 1.000 9.006 15.700 32.627 -99.200 -91.000 PHE 250 1.000 7.972 20.786 20.987 -99.200 -91.000 HIS 271 0.900 5.310 25.161 21.819 -99.200 -91.000 TRP 273 1.040 10.829 24.605 25.225 -99.200 -91.000 TRP6 273 1.020 11.337 22.373 24.595 -99.200 -91.000 PHE 279 1.000 2.487 -9.289 17.618 -99.200 -91.000