============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 22 1.040 38.412 39.060 15.245 -99.200 -91.000 TRP6 22 1.020 37.272 40.152 17.005 -99.200 -91.000 TRP 30 1.040 28.372 33.601 10.727 -99.200 -91.000 TRP6 30 1.020 26.892 31.780 11.010 -99.200 -91.000 PHE 31 1.000 29.281 40.908 7.431 -99.200 -91.000 HIS 45 0.900 33.057 56.806 14.717 -99.200 -91.000 TRP 47 1.040 30.758 55.278 4.906 -99.200 -91.000 TRP6 47 1.020 30.724 53.798 3.054 -99.200 -91.000 TRP 74 1.040 25.455 58.806 3.459 -99.200 -91.000 TRP6 74 1.020 27.152 58.767 5.100 -99.200 -91.000 TYR 100 0.840 26.555 45.230 16.711 -99.200 -91.000 PHE 103 1.000 18.885 49.625 13.984 -99.200 -91.000 TYR 111 0.840 21.867 35.679 11.405 -99.200 -91.000 HIS 114 0.900 29.100 33.556 21.487 -99.200 -91.000 HIS 124 0.900 33.633 45.668 26.059 -99.200 -91.000 PHE 125 1.000 25.885 41.957 20.509 -99.200 -91.000 TYR 128 0.840 23.331 38.382 24.431 -99.200 -91.000 TRP 133 1.040 18.170 37.364 23.156 -99.200 -91.000 TRP6 133 1.020 17.540 38.058 20.986 -99.200 -91.000 PHE 137 1.000 24.104 27.173 12.661 -99.200 -91.000 PHE 140 1.000 34.694 24.683 19.593 -99.200 -91.000 HIS 141 0.900 33.576 25.253 12.333 -99.200 -91.000 HIS 149 0.900 42.531 33.845 18.343 -99.200 -91.000 TYR 151 0.840 35.847 29.498 13.820 -99.200 -91.000 PHE 153 1.000 30.961 30.575 12.213 -99.200 -91.000