============================================================================= 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. TYR 30 0.840 28.362 31.542 46.466 -99.200 -91.000 TYR 36 0.840 28.814 26.635 49.831 -99.200 -91.000 TRP 39 1.040 25.490 21.928 62.280 -99.200 -91.000 TRP6 39 1.020 25.134 23.007 64.360 -99.200 -91.000 PHE 40 1.000 34.142 21.237 61.646 -99.200 -91.000 TYR 53 0.840 29.756 17.715 53.000 -99.200 -91.000 PHE 66 1.000 25.428 12.769 65.431 -99.200 -91.000 PHE 75 1.000 22.120 27.886 58.801 -99.200 -91.000 TYR 90 0.840 27.670 17.753 69.356 -99.200 -91.000 TYR 91 0.840 33.573 23.843 69.020 -99.200 -91.000 PHE 95 1.000 34.442 26.405 53.738 -99.200 -91.000 TYR 98 0.840 38.436 34.411 51.720 -99.200 -91.000 PHE 100 1.000 36.265 30.192 54.405 -99.200 -91.000 PHE 102 1.000 36.024 26.856 62.838 -99.200 -91.000 PHE 122 1.000 46.459 7.704 96.482 -99.200 -91.000 PHE 139 1.000 44.162 10.895 92.206 -99.200 -91.000 PHE 143 1.000 32.350 13.300 91.045 -99.200 -91.000 TYR 144 0.840 25.014 12.617 86.035 -99.200 -91.000 TRP 152 1.040 42.059 19.215 100.673 -99.200 -91.000 TRP6 152 1.020 43.385 17.256 100.660 -99.200 -91.000 TRP 167 1.040 35.910 19.825 89.382 -99.200 -91.000 TRP6 167 1.020 36.995 21.838 89.978 -99.200 -91.000 TYR 177 0.840 30.483 15.159 84.773 -99.200 -91.000 TYR 190 0.840 53.329 15.417 105.790 -99.200 -91.000 HIS 193 0.900 49.753 21.118 111.379 -99.200 -91.000 TYR 196 0.840 48.794 16.376 107.059 -99.200 -91.000 HIS 202 0.900 27.617 13.277 94.253 -99.200 -91.000 PHE 213 1.000 48.257 11.048 105.189 -99.200 -91.000