============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.633 -10.958 -5.382 -99.200 -91.000 TRP6 12 1.020 -4.543 -11.093 -7.551 -99.200 -91.000 TYR 20 0.840 1.216 7.665 8.634 -99.200 -91.000 TRP 26 1.040 8.758 2.812 9.613 -99.200 -91.000 TRP6 26 1.020 9.061 4.488 8.007 -99.200 -91.000 HIS 28 0.900 -1.493 -0.193 4.357 -99.200 -91.000 TRP 39 1.040 10.741 4.850 -11.507 -99.200 -91.000 TRP6 39 1.020 10.135 7.075 -11.070 -99.200 -91.000 HIS 45 0.900 -6.623 9.177 -2.338 -99.200 -91.000 PHE 53 1.000 4.037 9.474 2.288 -99.200 -91.000 HIS 60 0.900 -0.288 -12.899 3.221 -99.200 -91.000 TYR 71 0.840 10.518 -4.016 6.119 -99.200 -91.000 HIS 80 0.900 -1.606 13.974 -14.620 -99.200 -91.000 TYR 82 0.840 -4.039 19.583 -16.613 -99.200 -91.000 TRP 83 1.040 -3.876 15.283 -6.527 -99.200 -91.000 TRP6 83 1.020 -5.907 14.112 -6.332 -99.200 -91.000 TYR 91 0.840 -6.249 14.927 -15.102 -99.200 -91.000 TYR 107 0.840 7.282 -15.199 -1.246 -99.200 -91.000 TYR 127 0.840 -10.161 -12.166 -7.644 -99.200 -91.000 TRP 131 1.040 -1.899 -5.687 3.976 -99.200 -91.000 TRP6 131 1.020 -0.498 -5.227 2.137 -99.200 -91.000 TYR 148 0.840 -15.241 -11.970 -9.574 -99.200 -91.000 TYR 154 0.840 -18.562 7.672 -18.853 -99.200 -91.000 TYR 160 0.840 -25.017 1.686 -11.078 -99.200 -91.000 TRP 161 1.040 -19.620 6.092 -8.108 -99.200 -91.000 TRP6 161 1.020 -19.089 7.289 -6.150 -99.200 -91.000 HIS 190 0.900 -3.946 -7.170 -8.677 -99.200 -91.000 TYR 197 0.840 -5.899 -12.252 -12.537 -99.200 -91.000 HIS 200 0.900 -7.047 -3.609 -17.556 -99.200 -91.000 PHE 205 1.000 -14.210 8.707 -6.722 -99.200 -91.000 PHE 220 1.000 -10.850 0.102 -8.362 -99.200 -91.000 TYR 226 0.840 -4.177 9.043 -15.849 -99.200 -91.000 TRP 229 1.040 2.013 11.775 -15.907 -99.200 -91.000 TRP6 229 1.020 2.028 10.550 -13.893 -99.200 -91.000