============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 20.617 30.553 40.515 -99.200 -91.000 TRP6 14 1.020 19.372 32.428 41.264 -99.200 -91.000 PHE 19 1.000 38.823 23.980 36.590 -99.200 -91.000 TRP 37 1.040 24.099 20.828 52.476 -99.200 -91.000 TRP6 37 1.020 25.006 18.666 52.179 -99.200 -91.000 HIS 43 0.900 25.187 13.109 33.330 -99.200 -91.000 TYR 47 0.840 27.244 7.521 31.678 -99.200 -91.000 TRP 49 1.040 31.138 8.551 28.349 -99.200 -91.000 TRP6 49 1.020 29.835 10.519 28.545 -99.200 -91.000 PHE 53 1.000 35.432 12.660 38.276 -99.200 -91.000 HIS 65 0.900 30.055 37.187 32.677 -99.200 -91.000 TYR 70 0.840 41.949 32.910 41.253 -99.200 -91.000 TYR 84 0.840 24.450 9.629 50.602 -99.200 -91.000 HIS 86 0.900 17.421 8.712 44.638 -99.200 -91.000 TYR 89 0.840 23.200 7.836 38.266 -99.200 -91.000 TRP 91 1.040 25.169 3.012 36.673 -99.200 -91.000 TRP6 91 1.020 26.171 1.414 35.247 -99.200 -91.000 PHE 110 1.000 24.791 32.742 50.986 -99.200 -91.000 TYR 113 0.840 30.140 40.066 41.752 -99.200 -91.000 HIS 115 0.900 20.992 35.512 47.617 -99.200 -91.000 TYR 132 0.840 2.690 27.946 33.142 -99.200 -91.000 TRP 139 1.040 30.767 29.226 32.324 -99.200 -91.000 TRP6 139 1.020 30.077 28.833 34.548 -99.200 -91.000 PHE 177 1.000 11.802 19.676 34.108 -99.200 -91.000 TYR 181 0.840 11.461 28.092 22.125 -99.200 -91.000 PHE 200 1.000 13.568 24.309 32.898 -99.200 -91.000 PHE 206 1.000 1.854 31.019 42.353 -99.200 -91.000 TRP 210 1.040 15.126 34.456 39.570 -99.200 -91.000 TRP6 210 1.020 14.772 34.017 37.262 -99.200 -91.000 TYR 211 0.840 10.516 28.816 44.429 -99.200 -91.000 TRP 218 1.040 18.403 12.003 29.625 -99.200 -91.000 TRP6 218 1.020 17.215 11.298 27.697 -99.200 -91.000 TYR 228 0.840 10.750 18.300 22.075 -99.200 -91.000 PHE 230 1.000 13.750 13.689 27.607 -99.200 -91.000 TYR 231 0.840 16.415 20.583 31.021 -99.200 -91.000 HIS 233 0.900 9.526 16.721 38.764 -99.200 -91.000 PHE 235 1.000 7.713 18.436 45.323 -99.200 -91.000 TRP 240 1.040 18.858 10.864 47.994 -99.200 -91.000 TRP6 240 1.020 20.209 12.444 46.866 -99.200 -91.000 PHE 248 1.000 27.021 11.278 55.191 -99.200 -91.000