============================================================================= 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 31 0.900 15.222 62.932 18.382 -99.200 -91.000 TYR 37 0.840 14.961 68.391 19.370 -99.200 -91.000 TRP 40 1.040 22.912 78.612 23.887 -99.200 -91.000 TRP6 40 1.020 24.971 78.565 25.045 -99.200 -91.000 TYR 41 0.840 16.664 76.459 29.153 -99.200 -91.000 TYR 54 0.840 12.799 77.550 19.631 -99.200 -91.000 PHE 60 1.000 9.971 81.583 25.075 -99.200 -91.000 PHE 67 1.000 20.114 87.900 25.580 -99.200 -91.000 PHE 76 1.000 25.835 72.709 19.532 -99.200 -91.000 TYR 91 0.840 23.820 84.662 29.749 -99.200 -91.000 TYR 92 0.840 23.160 77.276 34.444 -99.200 -91.000 PHE 94 1.000 18.306 70.719 29.072 -99.200 -91.000 HIS 98 0.900 21.585 61.446 22.042 -99.200 -91.000 PHE 103 1.000 19.890 72.213 32.526 -99.200 -91.000 PHE 123 1.000 41.112 90.783 61.407 -99.200 -91.000 PHE 140 1.000 37.537 89.508 57.399 -99.200 -91.000 PHE 144 1.000 39.973 89.566 45.351 -99.200 -91.000 TYR 145 0.840 38.096 93.251 37.594 -99.200 -91.000 TRP 153 1.040 45.165 80.318 55.707 -99.200 -91.000 TRP6 153 1.020 45.131 81.890 57.462 -99.200 -91.000 TRP 168 1.040 36.183 83.298 46.572 -99.200 -91.000 TRP6 168 1.020 36.234 81.014 47.169 -99.200 -91.000 TYR 178 0.840 34.868 89.475 41.344 -99.200 -91.000 TYR 191 0.840 46.670 79.959 67.902 -99.200 -91.000 HIS 194 0.900 53.762 74.399 64.100 -99.200 -91.000 TYR 197 0.840 49.556 80.112 63.790 -99.200 -91.000 HIS 203 0.900 44.586 90.703 42.228 -99.200 -91.000 PHE 214 1.000 48.249 85.389 64.348 -99.200 -91.000