============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 10 1.000 33.086 21.250 33.367 -99.200 -91.000 TYR 11 0.840 29.327 16.379 27.229 -99.200 -91.000 PHE 28 1.000 26.060 33.144 30.490 -99.200 -91.000 PHE 41 1.000 29.255 25.372 36.270 -99.200 -91.000 TRP 50 1.040 34.457 37.572 34.497 -99.200 -91.000 TRP6 50 1.020 33.353 36.268 32.883 -99.200 -91.000 TRP 53 1.040 23.324 32.494 34.364 -99.200 -91.000 TRP6 53 1.020 22.947 30.426 33.288 -99.200 -91.000 PHE 71 1.000 42.582 24.709 35.563 -99.200 -91.000 TRP 78 1.040 47.702 17.021 34.084 -99.200 -91.000 TRP6 78 1.020 45.429 16.951 33.460 -99.200 -91.000 PHE 85 1.000 47.195 19.925 54.754 -99.200 -91.000 PHE 91 1.000 42.631 28.674 58.017 -99.200 -91.000 PHE 99 1.000 38.158 34.287 29.963 -99.200 -91.000 PHE 109 1.000 37.573 22.823 29.543 -99.200 -91.000 PHE 114 1.000 42.418 13.394 39.653 -99.200 -91.000 TRP 124 1.040 35.083 8.424 34.170 -99.200 -91.000 TRP6 124 1.020 33.649 8.236 32.303 -99.200 -91.000