============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 4 0.840 39.045 31.239 41.571 -99.200 -91.000 HIS 6 0.900 30.739 30.465 50.048 -99.200 -91.000 TRP 44 1.040 23.927 40.352 24.520 -99.200 -91.000 TRP6 44 1.020 22.826 40.725 26.573 -99.200 -91.000 PHE 53 1.000 38.819 36.090 24.309 -99.200 -91.000 PHE 55 1.000 33.955 40.039 23.480 -99.200 -91.000 PHE 71 1.000 32.467 13.518 34.001 -99.200 -91.000 HIS 76 0.900 38.561 23.525 34.854 -99.200 -91.000 TYR 89 0.840 28.950 18.182 23.066 -99.200 -91.000 TRP 111 1.040 18.767 31.282 37.882 -99.200 -91.000 TRP6 111 1.020 18.200 33.234 39.081 -99.200 -91.000 TRP 117 1.040 35.644 28.708 38.616 -99.200 -91.000 TRP6 117 1.020 37.087 26.821 38.446 -99.200 -91.000 HIS 119 0.900 41.199 25.355 28.731 -99.200 -91.000 TYR 131 0.840 27.861 27.071 34.008 -99.200 -91.000 PHE 136 1.000 25.608 24.792 49.281 -99.200 -91.000 TYR 137 0.840 25.793 30.500 47.870 -99.200 -91.000 TRP 140 1.040 24.060 36.657 51.410 -99.200 -91.000 TRP6 140 1.020 24.320 37.260 49.132 -99.200 -91.000