============================================================================= 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. PHE 6 1.000 31.573 -9.368 25.206 -99.200 -91.000 HIS 26 0.900 21.500 -21.157 21.440 -99.200 -91.000 TYR 30 0.840 34.882 -17.067 30.693 -99.200 -91.000 TYR 31 0.840 32.641 -6.114 30.762 -99.200 -91.000 TYR 40 0.840 42.171 1.446 30.003 -99.200 -91.000 PHE 51 1.000 47.548 0.561 32.052 -99.200 -91.000 TRP 53 1.040 49.194 -6.726 23.421 -99.200 -91.000 TRP6 53 1.020 48.638 -8.911 22.697 -99.200 -91.000 PHE 57 1.000 41.909 -12.840 34.224 -99.200 -91.000 TYR 78 0.840 47.795 -3.731 11.908 -99.200 -91.000 TYR 121 0.840 33.008 6.006 16.423 -99.200 -91.000 PHE 142 1.000 25.988 13.293 26.954 -99.200 -91.000 TYR 151 0.840 20.780 5.024 33.760 -99.200 -91.000 HIS 181 0.900 30.679 4.550 30.840 -99.200 -91.000 TYR 182 0.840 28.638 9.218 25.530 -99.200 -91.000 PHE 192 1.000 18.453 18.759 22.631 -99.200 -91.000 TYR 215 0.840 34.213 -16.281 6.872 -99.200 -91.000 HIS 216 0.900 36.571 -17.257 11.797 -99.200 -91.000 HIS 228 0.900 26.555 -15.506 30.575 -99.200 -91.000 PHE 230 1.000 29.211 -10.553 33.868 -99.200 -91.000 PHE 231 1.000 37.032 -13.210 35.059 -99.200 -91.000 PHE 239 1.000 31.756 -5.088 36.581 -99.200 -91.000 TRP 246 1.040 23.535 -0.316 33.744 -99.200 -91.000 TRP6 246 1.020 25.570 0.606 32.971 -99.200 -91.000 HIS 254 0.900 40.108 -7.287 43.473 -99.200 -91.000