============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 60.765 38.064 113.652 -99.200 -91.000 PHE 29 1.000 66.757 38.091 111.205 -99.200 -91.000 TYR 32 0.840 59.702 33.410 117.497 -99.200 -91.000 TRP 36 1.040 63.412 32.871 102.183 -99.200 -91.000 TRP6 36 1.020 63.099 35.118 101.518 -99.200 -91.000 TRP 47 1.040 59.192 25.558 103.754 -99.200 -91.000 TRP6 47 1.020 60.738 23.898 104.179 -99.200 -91.000 TRP 50 1.040 63.314 27.773 109.492 -99.200 -91.000 TRP6 50 1.020 64.865 27.049 111.018 -99.200 -91.000 TYR 60 0.840 68.664 26.383 100.410 -99.200 -91.000 PHE 64 1.000 62.003 25.600 95.521 -99.200 -91.000 PHE 68 1.000 65.533 29.119 93.558 -99.200 -91.000 PHE 70 1.000 66.113 29.450 101.449 -99.200 -91.000 PHE 93 1.000 60.600 33.438 93.880 -99.200 -91.000 PHE 94 1.000 53.744 35.368 99.177 -99.200 -91.000 PHE 102 1.000 64.095 21.194 110.870 -99.200 -91.000 TYR 108 0.840 52.967 37.718 113.034 -99.200 -91.000 TRP 109 1.040 52.316 33.863 105.466 -99.200 -91.000 TRP6 109 1.020 52.884 32.297 103.794 -99.200 -91.000 TYR 128 0.840 46.192 56.216 73.805 -99.200 -91.000 TYR 151 0.840 51.061 48.576 81.724 -99.200 -91.000 PHE 152 1.000 57.552 43.218 80.111 -99.200 -91.000 TRP 160 1.040 39.655 56.496 87.843 -99.200 -91.000 TRP6 160 1.020 39.324 57.473 85.752 -99.200 -91.000 HIS 170 0.900 33.677 47.753 89.130 -99.200 -91.000 PHE 172 1.000 37.709 46.227 84.138 -99.200 -91.000 TYR 181 0.840 52.166 43.173 81.425 -99.200 -91.000 TRP 194 1.040 33.227 64.645 83.235 -99.200 -91.000 TRP6 194 1.020 32.359 63.899 81.200 -99.200 -91.000 HIS 205 0.900 55.483 51.336 83.527 -99.200 -91.000