============================================================================= 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. TRP 11 1.040 45.892 -6.802 7.703 -99.200 -91.000 TRP6 11 1.020 45.515 -6.464 5.400 -99.200 -91.000 PHE 27 1.000 50.181 -10.709 3.884 -99.200 -91.000 HIS 34 0.900 53.414 -24.905 6.108 -99.200 -91.000 PHE 44 1.000 32.282 -4.667 7.451 -99.200 -91.000 HIS 46 0.900 41.300 -0.522 4.182 -99.200 -91.000 HIS 56 0.900 50.588 -17.713 -1.723 -99.200 -91.000 PHE 59 1.000 48.418 -15.329 2.008 -99.200 -91.000 PHE 73 1.000 18.758 -4.403 10.446 -99.200 -91.000 PHE 85 1.000 32.913 -6.201 -2.612 -99.200 -91.000 TRP 89 1.040 37.608 -18.592 4.561 -99.200 -91.000 TRP6 89 1.020 38.578 -19.791 6.346 -99.200 -91.000 HIS 94 0.900 38.924 -9.532 18.163 -99.200 -91.000 TYR 100 0.840 36.604 -2.237 23.003 -99.200 -91.000 TYR 101 0.840 32.679 -1.884 18.884 -99.200 -91.000 PHE 120 1.000 29.704 -15.372 4.576 -99.200 -91.000 TRP 158 1.040 30.237 -28.285 15.403 -99.200 -91.000 TRP6 158 1.020 31.462 -27.007 16.966 -99.200 -91.000 TYR 165 0.840 42.151 -19.307 24.992 -99.200 -91.000 TRP 169 1.040 44.666 -13.665 29.962 -99.200 -91.000 TRP6 169 1.020 46.731 -14.726 29.493 -99.200 -91.000 HIS 186 0.900 44.432 -23.463 21.362 -99.200 -91.000 TRP 192 1.040 31.560 -28.083 26.025 -99.200 -91.000 TRP6 192 1.020 30.491 -27.720 23.949 -99.200 -91.000 TYR 209 0.840 47.680 -17.629 22.034 -99.200 -91.000 TYR 222 0.840 51.226 -25.682 13.948 -99.200 -91.000 PHE 230 1.000 50.252 -19.658 16.007 -99.200 -91.000 PHE 241 1.000 49.856 -13.323 8.656 -99.200 -91.000