============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 5.901 57.221 35.245 -99.200 -91.000 PHE 4 1.000 10.312 60.653 29.140 -99.200 -91.000 PHE 5 1.000 2.660 62.185 32.309 -99.200 -91.000 TYR 17 0.840 22.267 64.283 9.099 -99.200 -91.000 TRP 23 1.040 7.449 64.354 22.674 -99.200 -91.000 TRP6 23 1.020 8.902 62.577 23.313 -99.200 -91.000 PHE 52 1.000 17.330 62.390 9.890 -99.200 -91.000 HIS 56 0.900 11.388 52.622 12.168 -99.200 -91.000 TRP 60 1.040 7.303 45.732 24.075 -99.200 -91.000 TRP6 60 1.020 9.554 45.369 24.755 -99.200 -91.000 TRP 66 1.040 16.915 57.170 11.658 -99.200 -91.000 TRP6 66 1.020 17.316 57.998 13.838 -99.200 -91.000 PHE 67 1.000 19.632 51.534 9.019 -99.200 -91.000 PHE 71 1.000 20.000 58.639 18.595 -99.200 -91.000 TYR 77 0.840 9.850 65.429 26.990 -99.200 -91.000 TRP 79 1.040 19.597 63.970 23.864 -99.200 -91.000 TRP6 79 1.020 19.792 62.207 22.310 -99.200 -91.000 HIS 89 0.900 13.861 63.591 31.435 -99.200 -91.000 PHE 91 1.000 14.944 68.050 39.795 -99.200 -91.000 TRP 94 1.040 21.165 69.591 41.939 -99.200 -91.000 TRP6 94 1.020 19.170 69.173 43.151 -99.200 -91.000 HIS 95 0.900 24.092 58.990 39.890 -99.200 -91.000 TYR 116 0.840 3.459 65.300 39.279 -99.200 -91.000 TYR 117 0.840 9.821 70.726 39.263 -99.200 -91.000 HIS 121 0.900 2.694 63.714 35.556 -99.200 -91.000 TRP 129 1.040 19.679 74.057 35.882 -99.200 -91.000 TRP6 129 1.020 20.198 71.918 36.761 -99.200 -91.000 TRP 135 1.040 21.381 72.096 48.490 -99.200 -91.000 TRP6 135 1.020 22.540 70.142 47.803 -99.200 -91.000