============================================================================= 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 20 1.040 23.146 25.850 42.800 -99.200 -91.000 TRP6 20 1.020 22.813 28.186 42.687 -99.200 -91.000 HIS 26 0.900 25.696 15.109 40.292 -99.200 -91.000 HIS 54 0.900 12.639 23.272 26.492 -99.200 -91.000 PHE 71 1.000 29.959 18.739 27.740 -99.200 -91.000 HIS 76 0.900 31.864 28.341 15.021 -99.200 -91.000 PHE 80 1.000 27.081 24.596 23.504 -99.200 -91.000 PHE 103 1.000 26.448 5.810 44.577 -99.200 -91.000 TRP 108 1.040 18.606 6.301 44.553 -99.200 -91.000 TRP6 108 1.020 20.878 5.735 44.852 -99.200 -91.000 HIS 109 0.900 25.259 10.377 46.137 -99.200 -91.000 TRP 110 1.040 20.740 17.001 45.116 -99.200 -91.000 TRP6 110 1.020 22.764 18.048 44.526 -99.200 -91.000 TRP 113 1.040 25.667 14.095 49.806 -99.200 -91.000 TRP6 113 1.020 27.424 14.787 51.221 -99.200 -91.000 HIS 118 0.900 18.740 12.796 61.466 -99.200 -91.000 PHE 127 1.000 19.993 6.270 50.851 -99.200 -91.000 PHE 135 1.000 23.952 2.977 49.559 -99.200 -91.000 TRP 136 1.040 24.329 -1.255 53.988 -99.200 -91.000 TRP6 136 1.020 25.759 -1.398 52.111 -99.200 -91.000 HIS 140 0.900 17.599 -7.591 49.500 -99.200 -91.000 PHE 149 1.000 27.643 0.344 46.820 -99.200 -91.000 TYR 167 0.840 49.137 -11.374 54.025 -99.200 -91.000 PHE 169 1.000 46.684 -13.143 50.205 -99.200 -91.000 PHE 192 1.000 49.433 -15.576 46.701 -99.200 -91.000 PHE 229 1.000 29.047 -7.649 56.751 -99.200 -91.000 PHE 230 1.000 26.328 -6.365 61.234 -99.200 -91.000 TYR 240 0.840 38.297 -16.043 58.512 -99.200 -91.000 HIS 244 0.900 37.956 0.469 50.311 -99.200 -91.000 HIS 247 0.900 35.006 2.596 53.945 -99.200 -91.000 TRP 249 1.040 29.221 -1.904 58.601 -99.200 -91.000 TRP6 249 1.020 26.901 -2.283 58.421 -99.200 -91.000 PHE 287 1.000 34.693 17.931 50.417 -99.200 -91.000 PHE 306 1.000 39.403 0.395 61.029 -99.200 -91.000