============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 36 0.840 9.283 25.919 -1.414 -99.200 -91.000 TRP 39 1.040 5.050 38.639 -5.277 -99.200 -91.000 TRP6 39 1.020 6.515 39.972 -6.564 -99.200 -91.000 TYR 53 0.840 2.325 31.283 2.148 -99.200 -91.000 PHE 66 1.000 -1.669 44.337 -1.186 -99.200 -91.000 PHE 75 1.000 7.494 33.114 -10.423 -99.200 -91.000 TYR 90 0.840 4.290 46.615 -2.396 -99.200 -91.000 PHE 91 1.000 11.966 42.688 -0.347 -99.200 -91.000 TRP 93 1.040 13.939 35.322 -0.075 -99.200 -91.000 TRP6 93 1.020 13.707 35.764 2.236 -99.200 -91.000 HIS 97 0.900 15.865 26.399 -8.318 -99.200 -91.000 PHE 98 1.000 23.581 26.680 -1.373 -99.200 -91.000 PHE 102 1.000 16.609 38.405 -0.455 -99.200 -91.000 PHE 122 1.000 16.067 76.221 11.452 -99.200 -91.000 PHE 139 1.000 15.974 70.927 8.868 -99.200 -91.000 PHE 143 1.000 9.750 68.309 -0.889 -99.200 -91.000 TYR 144 0.840 3.014 63.818 -4.648 -99.200 -91.000 TRP 152 1.040 22.194 76.199 0.141 -99.200 -91.000 TRP6 152 1.020 21.652 77.198 2.222 -99.200 -91.000 TRP 167 1.040 16.895 64.770 -1.805 -99.200 -91.000 TRP6 167 1.020 19.154 64.340 -2.335 -99.200 -91.000 TYR 177 0.840 8.138 61.772 -2.279 -99.200 -91.000 TYR 190 0.840 28.165 82.710 8.977 -99.200 -91.000 HIS 193 0.900 31.062 85.752 1.461 -99.200 -91.000 TYR 196 0.840 25.810 83.552 4.700 -99.200 -91.000 HIS 202 0.900 7.034 71.156 -5.111 -99.200 -91.000 PHE 213 1.000 21.257 83.089 7.968 -99.200 -91.000