============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.829 35.558 4.468 -99.200 -91.000 TYR 14 0.840 30.704 39.947 -0.726 -99.200 -91.000 HIS 23 0.900 32.213 24.983 -0.441 -99.200 -91.000 PHE 24 1.000 39.188 23.712 -0.082 -99.200 -91.000 TRP 34 1.040 46.408 39.139 -5.577 -99.200 -91.000 TRP6 34 1.020 47.970 37.661 -4.523 -99.200 -91.000 HIS 40 0.900 39.962 27.068 9.368 -99.200 -91.000 TYR 42 0.840 48.576 25.258 1.966 -99.200 -91.000 HIS 53 0.900 22.018 30.956 -5.239 -99.200 -91.000 PHE 64 1.000 33.485 25.992 -12.241 -99.200 -91.000 HIS 73 0.900 50.004 36.907 9.094 -99.200 -91.000 PHE 76 1.000 46.924 28.926 10.727 -99.200 -91.000 TRP 121 1.040 27.448 27.385 -1.784 -99.200 -91.000 TRP6 121 1.020 28.941 29.094 -2.504 -99.200 -91.000 TYR 131 0.840 28.772 19.797 4.650 -99.200 -91.000 TYR 152 0.840 34.500 30.857 21.825 -99.200 -91.000 PHE 165 1.000 22.085 36.637 15.899 -99.200 -91.000 TRP 193 1.040 38.920 30.565 16.558 -99.200 -91.000 TRP6 193 1.020 38.283 30.241 18.832 -99.200 -91.000 TYR 195 0.840 33.127 23.123 22.472 -99.200 -91.000 TYR 206 0.840 32.710 34.977 12.137 -99.200 -91.000 TYR 212 0.840 45.351 39.866 10.105 -99.200 -91.000 TRP 215 1.040 50.413 39.464 5.344 -99.200 -91.000 TRP6 215 1.020 48.755 37.949 4.529 -99.200 -91.000