============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 34 0.900 72.730 8.998 0.080 -99.200 -91.000 TYR 35 0.840 69.368 17.228 1.070 -99.200 -91.000 TRP 36 1.040 68.968 12.535 -5.047 -99.200 -91.000 TRP6 36 1.020 69.860 10.559 -5.977 -99.200 -91.000 TRP 38 1.040 70.229 19.504 -11.799 -99.200 -91.000 TRP6 38 1.020 70.308 18.174 -13.737 -99.200 -91.000 TRP 49 1.040 75.645 22.730 -5.425 -99.200 -91.000 TRP6 49 1.020 74.654 24.168 -3.831 -99.200 -91.000 TYR 54 0.840 65.109 14.529 1.680 -99.200 -91.000 TYR 55 0.840 61.506 11.873 -0.042 -99.200 -91.000 TYR 60 0.840 69.659 23.367 1.596 -99.200 -91.000 PHE 61 1.000 66.984 26.981 -5.247 -99.200 -91.000 PHE 80 1.000 68.592 15.088 -10.042 -99.200 -91.000 TYR 94 0.840 74.414 23.563 -17.725 -99.200 -91.000 TYR 95 0.840 79.958 16.981 -15.676 -99.200 -91.000 TYR 104 0.840 69.307 12.061 5.967 -99.200 -91.000 TRP 112 1.040 80.467 13.530 -9.659 -99.200 -91.000 TRP6 112 1.020 80.705 15.831 -10.115 -99.200 -91.000 PHE 131 1.000 84.532 29.202 -47.220 -99.200 -91.000 PHE 150 1.000 81.278 22.695 -37.380 -99.200 -91.000 PHE 157 1.000 87.232 18.404 -40.731 -99.200 -91.000 TRP 159 1.040 91.443 14.998 -45.638 -99.200 -91.000 TRP6 159 1.020 91.508 17.045 -46.803 -99.200 -91.000 TYR 161 0.840 95.509 10.311 -52.381 -99.200 -91.000 PHE 173 1.000 94.960 20.265 -36.465 -99.200 -91.000 TYR 182 0.840 80.637 24.405 -31.128 -99.200 -91.000 HIS 202 0.900 90.951 18.047 -57.906 -99.200 -91.000 HIS 209 0.900 76.485 19.176 -38.362 -99.200 -91.000