============================================================================= 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. TRP 8 1.040 33.351 32.241 13.370 -99.200 -91.000 TRP6 8 1.020 35.464 33.276 13.195 -99.200 -91.000 PHE 27 1.000 26.826 38.010 9.628 -99.200 -91.000 TYR 31 0.840 26.089 32.970 20.149 -99.200 -91.000 HIS 52 0.900 31.197 48.080 7.151 -99.200 -91.000 PHE 60 1.000 31.831 40.928 13.571 -99.200 -91.000 PHE 62 1.000 26.840 37.879 15.885 -99.200 -91.000 HIS 65 0.900 13.821 35.119 18.387 -99.200 -91.000 TRP 66 1.040 19.562 35.415 23.480 -99.200 -91.000 TRP6 66 1.020 21.414 34.069 22.917 -99.200 -91.000 PHE 68 1.000 17.929 30.280 25.629 -99.200 -91.000 PHE 75 1.000 27.309 38.264 20.758 -99.200 -91.000 PHE 80 1.000 41.219 43.693 14.857 -99.200 -91.000 TRP 93 1.040 28.573 40.157 25.256 -99.200 -91.000 TRP6 93 1.020 27.267 40.365 27.208 -99.200 -91.000 TYR 104 0.840 9.529 47.609 36.838 -99.200 -91.000 TRP 106 1.040 16.080 51.111 36.664 -99.200 -91.000 TRP6 106 1.020 17.707 50.028 37.974 -99.200 -91.000 TYR 113 0.840 35.868 39.729 27.670 -99.200 -91.000 PHE 116 1.000 32.082 35.086 19.230 -99.200 -91.000