============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. TRP 6 1.040 58.786 41.332 97.764 -99.200 -91.000 TRP6 6 1.020 56.978 40.286 98.873 -99.200 -91.000 PHE 21 1.000 40.202 50.196 113.827 -99.200 -91.000 PHE 39 1.000 49.819 28.991 100.143 -99.200 -91.000 TYR 40 0.840 51.177 37.440 98.899 -99.200 -91.000 PHE 55 1.000 50.519 47.911 111.429 -99.200 -91.000 TRP 63 1.040 42.632 42.489 100.488 -99.200 -91.000 TRP6 63 1.020 42.799 44.735 99.804 -99.200 -91.000 TYR 78 0.840 53.297 50.283 114.583 -99.200 -91.000 PHE 81 1.000 62.159 42.910 108.136 -99.200 -91.000 HIS 83 0.900 58.925 36.890 105.900 -99.200 -91.000