============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 3 0.900 37.185 -6.034 30.981 -99.200 -91.000 TYR 4 0.840 38.018 -12.947 31.972 -99.200 -91.000 TRP 10 1.040 19.991 -19.440 28.927 -99.200 -91.000 TRP6 10 1.020 22.102 -20.485 28.722 -99.200 -91.000 TYR 18 0.840 42.608 -12.709 35.525 -99.200 -91.000 TYR 24 0.840 55.749 -11.286 31.390 -99.200 -91.000 PHE 35 1.000 51.430 -19.016 42.484 -99.200 -91.000 PHE 44 1.000 47.763 -1.300 50.278 -99.200 -91.000 TYR 54 0.840 49.844 1.463 36.695 -99.200 -91.000 PHE 86 1.000 23.881 0.122 24.097 -99.200 -91.000 TYR 111 0.840 31.376 11.838 20.538 -99.200 -91.000 PHE 124 1.000 40.041 12.935 25.639 -99.200 -91.000 HIS 125 0.900 45.104 9.139 31.528 -99.200 -91.000 TRP 128 1.040 45.289 17.001 40.214 -99.200 -91.000 TRP6 128 1.020 46.114 15.655 41.982 -99.200 -91.000 PHE 138 1.000 50.365 7.945 12.518 -99.200 -91.000 TYR 153 0.840 43.443 20.743 28.144 -99.200 -91.000 PHE 178 1.000 24.480 -12.223 22.649 -99.200 -91.000 TYR 179 0.840 26.467 -6.454 15.791 -99.200 -91.000 PHE 188 1.000 49.403 -3.196 30.279 -99.200 -91.000