============================================================================= 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 60.036 -1.497 18.505 -99.200 -91.000 TYR 14 0.840 55.296 11.032 21.158 -99.200 -91.000 TYR 22 0.840 50.405 2.916 41.848 -99.200 -91.000 HIS 23 0.900 53.288 3.755 33.939 -99.200 -91.000 PHE 24 1.000 47.955 6.856 37.632 -99.200 -91.000 TRP 34 1.040 47.231 23.007 29.008 -99.200 -91.000 TRP6 34 1.020 45.273 22.495 30.205 -99.200 -91.000 HIS 40 0.900 40.937 3.661 31.287 -99.200 -91.000 TYR 42 0.840 40.151 12.540 38.527 -99.200 -91.000 PHE 64 1.000 60.549 12.130 38.769 -99.200 -91.000 HIS 73 0.900 34.105 14.993 26.458 -99.200 -91.000 TYR 76 0.840 35.139 8.217 31.628 -99.200 -91.000 TRP 121 1.040 57.820 2.906 30.955 -99.200 -91.000 TRP6 121 1.020 57.210 5.119 30.411 -99.200 -91.000 TYR 131 0.840 52.396 -4.388 35.268 -99.200 -91.000 TYR 152 0.840 36.659 -5.411 20.930 -99.200 -91.000 PHE 161 1.000 42.349 4.778 16.452 -99.200 -91.000 TYR 165 0.840 50.049 -6.230 14.287 -99.200 -91.000 TRP 193 1.040 37.327 0.082 25.051 -99.200 -91.000 TRP6 193 1.020 36.273 -1.856 24.242 -99.200 -91.000 TYR 206 0.840 44.589 1.555 20.492 -99.200 -91.000 TYR 212 0.840 36.922 13.087 21.864 -99.200 -91.000 TRP 215 1.040 36.261 19.160 25.342 -99.200 -91.000 TRP6 215 1.020 37.847 17.825 26.487 -99.200 -91.000