============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 3 0.900 -34.039 -5.975 6.606 -99.200 -91.000 TYR 7 0.840 -26.484 -10.342 20.622 -99.200 -91.000 PHE 8 1.000 -22.928 -1.831 19.742 -99.200 -91.000 TYR 22 0.840 -20.573 -9.712 29.777 -99.200 -91.000 TYR 27 0.840 -28.341 -1.368 20.396 -99.200 -91.000 PHE 33 1.000 -32.088 -8.809 19.507 -99.200 -91.000 PHE 36 1.000 -25.682 -11.282 32.039 -99.200 -91.000 TYR 45 0.840 -28.216 -11.773 26.743 -99.200 -91.000 TRP 51 1.040 -39.491 -6.908 18.268 -99.200 -91.000 TRP6 51 1.020 -37.701 -8.331 17.645 -99.200 -91.000 TYR 59 0.840 -33.792 -16.313 22.509 -99.200 -91.000 TRP 60 1.040 -36.232 -15.591 27.148 -99.200 -91.000 TRP6 60 1.020 -35.428 -13.661 26.041 -99.200 -91.000 TRP 73 1.040 -12.966 -15.229 25.832 -99.200 -91.000 TRP6 73 1.020 -12.489 -13.034 25.137 -99.200 -91.000 PHE 74 1.000 -15.773 -9.572 27.150 -99.200 -91.000 TYR 84 0.840 -1.094 -10.588 26.399 -99.200 -91.000 TYR 85 0.840 -1.586 -3.074 26.118 -99.200 -91.000 HIS 93 0.900 -6.290 -1.269 33.832 -99.200 -91.000 TRP 107 1.040 -34.953 -10.246 4.052 -99.200 -91.000 TRP6 107 1.020 -36.340 -11.519 5.497 -99.200 -91.000 TYR 113 0.840 -19.810 -5.024 10.576 -99.200 -91.000 PHE 116 1.000 -12.714 -9.161 20.882 -99.200 -91.000 TYR 118 0.840 -6.636 -3.151 28.093 -99.200 -91.000 TYR 123 0.840 -5.662 -6.382 22.211 -99.200 -91.000 TRP 133 1.040 -7.446 -13.057 13.609 -99.200 -91.000 TRP6 133 1.020 -9.479 -12.874 14.806 -99.200 -91.000 TRP 147 1.040 -7.425 -15.136 20.038 -99.200 -91.000 TRP6 147 1.020 -9.017 -13.391 19.981 -99.200 -91.000 HIS 155 0.900 -16.742 -20.004 17.827 -99.200 -91.000 TYR 156 0.840 -14.641 -15.232 17.366 -99.200 -91.000 TYR 159 0.840 -22.653 -15.326 16.233 -99.200 -91.000 TRP 167 1.040 -30.628 -18.117 16.040 -99.200 -91.000 TRP6 167 1.020 -32.371 -18.665 17.544 -99.200 -91.000 HIS 169 0.900 -32.157 -14.830 6.418 -99.200 -91.000 TYR 171 0.840 -33.519 -12.921 16.690 -99.200 -91.000 HIS 188 0.900 -42.209 21.701 13.390 -99.200 -91.000 TRP 193 1.040 -36.721 22.637 15.644 -99.200 -91.000 TRP6 193 1.020 -36.331 21.677 17.766 -99.200 -91.000 PHE 197 1.000 -35.364 11.981 12.194 -99.200 -91.000 TYR 198 0.840 -36.419 2.564 13.005 -99.200 -91.000 TRP 206 1.040 -31.361 26.254 6.913 -99.200 -91.000 TRP6 206 1.020 -33.544 27.176 6.776 -99.200 -91.000 PHE 221 1.000 -33.112 7.499 16.418 -99.200 -91.000 TRP 224 1.040 -32.383 21.977 16.816 -99.200 -91.000 TRP6 224 1.020 -30.627 23.577 16.874 -99.200 -91.000 TYR 229 0.840 -30.890 33.192 3.828 -99.200 -91.000 TYR 234 0.840 -32.169 16.183 0.366 -99.200 -91.000 HIS 235 0.900 -36.165 9.235 7.215 -99.200 -91.000 TRP 246 1.040 -46.053 27.041 6.140 -99.200 -91.000 TRP6 246 1.020 -45.311 25.559 4.445 -99.200 -91.000