============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 7 1.000 58.674 18.532 -0.070 -99.200 -91.000 HIS 15 0.900 69.959 9.276 8.045 -99.200 -91.000 PHE 25 1.000 62.516 7.192 24.452 -99.200 -91.000 PHE 42 1.000 57.222 5.877 22.947 -99.200 -91.000 PHE 55 1.000 54.987 9.366 25.593 -99.200 -91.000 TYR 62 0.840 55.233 0.139 29.563 -99.200 -91.000 TYR 69 0.840 59.301 19.053 27.082 -99.200 -91.000 TYR 73 0.840 63.596 18.507 23.308 -99.200 -91.000 PHE 79 1.000 63.185 7.561 16.421 -99.200 -91.000 PHE 88 1.000 63.737 21.714 6.324 -99.200 -91.000 TYR 90 0.840 64.428 20.990 -4.896 -99.200 -91.000 TYR 98 0.840 56.221 23.146 -8.424 -99.200 -91.000 PHE 101 1.000 49.732 22.584 0.676 -99.200 -91.000 TYR 109 0.840 58.287 15.009 24.236 -99.200 -91.000 PHE 118 1.000 63.713 21.926 11.847 -99.200 -91.000 PHE 128 1.000 62.404 26.198 5.296 -99.200 -91.000 PHE 129 1.000 57.129 22.365 4.691 -99.200 -91.000 TYR 133 0.840 47.424 20.398 6.100 -99.200 -91.000 TYR 140 0.840 46.662 6.691 13.912 -99.200 -91.000 PHE 147 1.000 47.583 10.346 3.198 -99.200 -91.000 PHE 161 1.000 52.422 11.309 1.099 -99.200 -91.000 PHE 177 1.000 47.280 12.951 -2.220 -99.200 -91.000 HIS 178 0.900 50.876 12.360 -10.376 -99.200 -91.000 TYR 180 0.840 61.354 9.419 -5.326 -99.200 -91.000 TRP 188 1.040 64.337 13.771 -0.842 -99.200 -91.000 TRP6 188 1.020 63.764 16.043 -1.239 -99.200 -91.000