============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 36 0.840 -11.403 -0.389 58.355 -99.200 -91.000 TRP 39 1.040 -13.585 12.907 56.070 -99.200 -91.000 TRP6 39 1.020 -14.436 13.803 54.087 -99.200 -91.000 TYR 40 0.840 -5.706 9.866 53.788 -99.200 -91.000 TYR 53 0.840 -8.391 6.484 63.257 -99.200 -91.000 PHE 59 1.000 -2.306 9.563 62.496 -99.200 -91.000 PHE 66 1.000 -9.260 20.119 60.592 -99.200 -91.000 PHE 75 1.000 -19.393 7.552 55.021 -99.200 -91.000 TYR 90 0.840 -9.518 19.907 54.260 -99.200 -91.000 TYR 91 0.840 -7.001 14.806 47.450 -99.200 -91.000 PHE 93 1.000 -8.352 5.221 51.295 -99.200 -91.000 HIS 97 0.900 -16.970 -2.516 50.255 -99.200 -91.000 PHE 102 1.000 -6.645 8.348 48.317 -99.200 -91.000 PHE 122 1.000 8.498 43.044 34.185 -99.200 -91.000 PHE 139 1.000 6.086 38.673 36.054 -99.200 -91.000 PHE 143 1.000 -5.205 38.357 40.938 -99.200 -91.000 TYR 144 0.840 -10.247 36.163 47.851 -99.200 -91.000 TRP 152 1.040 -1.494 39.792 26.747 -99.200 -91.000 TRP6 152 1.020 0.360 41.077 27.285 -99.200 -91.000 TRP 167 1.040 -5.136 32.979 37.625 -99.200 -91.000 TRP6 167 1.020 -5.548 32.104 35.493 -99.200 -91.000 TYR 177 0.840 -6.360 32.888 44.378 -99.200 -91.000 TYR 190 0.840 8.883 43.773 20.163 -99.200 -91.000 HIS 193 0.900 1.879 44.833 15.008 -99.200 -91.000 TYR 196 0.840 4.058 45.247 21.143 -99.200 -91.000 HIS 202 0.900 -9.684 41.689 41.004 -99.200 -91.000 PHE 213 1.000 6.424 46.987 25.923 -99.200 -91.000