============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 11 0.840 62.414 33.352 60.990 -99.200 -91.000 TYR 25 0.840 50.238 21.012 50.759 -99.200 -91.000 TYR 42 0.840 48.645 16.007 36.801 -99.200 -91.000 TRP 51 1.040 53.432 25.172 39.554 -99.200 -91.000 TRP6 51 1.020 52.148 24.389 41.364 -99.200 -91.000 PHE 65 1.000 59.145 17.503 43.399 -99.200 -91.000 TYR 80 0.840 55.341 4.192 56.977 -99.200 -91.000 PHE 85 1.000 67.389 7.764 44.860 -99.200 -91.000 HIS 97 0.900 57.863 6.547 52.114 -99.200 -91.000 TYR 100 0.840 57.163 9.913 50.942 -99.200 -91.000 TYR 101 0.840 62.678 4.122 43.339 -99.200 -91.000 TRP 104 1.040 63.257 9.696 41.887 -99.200 -91.000 TRP6 104 1.020 63.834 11.773 40.938 -99.200 -91.000 TYR 122 0.840 66.999 32.088 32.755 -99.200 -91.000 TYR 125 0.840 69.324 32.928 37.359 -99.200 -91.000 HIS 132 0.900 53.892 20.491 54.911 -99.200 -91.000 TYR 150 0.840 72.018 20.121 36.817 -99.200 -91.000 TYR 156 0.840 66.675 26.384 51.506 -99.200 -91.000 PHE 158 1.000 60.360 24.503 54.713 -99.200 -91.000 PHE 168 1.000 68.176 9.219 49.970 -99.200 -91.000 TYR 171 0.840 74.730 10.180 47.012 -99.200 -91.000 PHE 176 1.000 72.120 18.019 48.685 -99.200 -91.000 TYR 186 0.840 68.604 17.292 53.722 -99.200 -91.000 PHE 187 1.000 70.198 25.391 54.453 -99.200 -91.000 HIS 191 0.900 55.558 24.248 64.312 -99.200 -91.000 TYR 206 0.840 62.048 4.010 56.003 -99.200 -91.000 HIS 208 0.900 64.353 12.506 59.601 -99.200 -91.000 TYR 213 0.840 69.202 24.735 59.842 -99.200 -91.000 TRP 214 1.040 62.285 21.451 67.289 -99.200 -91.000 TRP6 214 1.020 62.760 21.579 69.590 -99.200 -91.000 TYR 219 0.840 55.671 31.889 63.504 -99.200 -91.000 PHE 225 1.000 66.232 25.714 70.526 -99.200 -91.000 HIS 247 0.900 53.432 17.204 58.536 -99.200 -91.000 TYR 250 0.840 56.996 22.713 59.414 -99.200 -91.000 PHE 251 1.000 59.773 28.777 59.713 -99.200 -91.000 TRP 260 1.040 51.006 32.354 51.942 -99.200 -91.000 TRP6 260 1.020 50.117 30.260 52.556 -99.200 -91.000