============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 6 1.040 13.186 -11.278 32.223 -99.200 -91.000 TRP6 6 1.020 14.341 -9.408 31.345 -99.200 -91.000 TYR 28 0.840 3.729 -10.677 41.629 -99.200 -91.000 TYR 32 0.840 1.300 -2.562 42.022 -99.200 -91.000 PHE 33 1.000 4.891 -9.678 35.469 -99.200 -91.000 PHE 42 1.000 5.826 -5.282 32.437 -99.200 -91.000 TRP 43 1.040 -1.434 -0.058 37.850 -99.200 -91.000 TRP6 43 1.020 -1.944 2.130 37.117 -99.200 -91.000 HIS 50 0.900 9.200 7.329 44.359 -99.200 -91.000 PHE 56 1.000 11.332 10.286 38.318 -99.200 -91.000 TYR 71 0.840 24.420 -12.945 33.092 -99.200 -91.000 TRP 73 1.040 24.793 -8.984 30.490 -99.200 -91.000 TRP6 73 1.020 25.147 -7.448 28.728 -99.200 -91.000 TYR 75 0.840 31.936 -4.484 25.282 -99.200 -91.000 TRP 81 1.040 21.735 -9.422 19.688 -99.200 -91.000 TRP6 81 1.020 21.351 -7.327 18.655 -99.200 -91.000 HIS 103 0.900 21.288 0.749 35.778 -99.200 -91.000 TYR 120 0.840 5.104 5.870 23.871 -99.200 -91.000 TYR 145 0.840 22.277 9.361 19.561 -99.200 -91.000 PHE 157 1.000 6.745 0.583 20.975 -99.200 -91.000 TYR 159 0.840 12.259 -2.694 23.856 -99.200 -91.000 TRP 186 1.040 29.986 2.584 28.055 -99.200 -91.000 TRP6 186 1.020 28.546 2.557 29.931 -99.200 -91.000 TYR 188 0.840 38.409 -2.524 31.095 -99.200 -91.000 TYR 192 0.840 21.473 -4.110 35.881 -99.200 -91.000 PHE 193 1.000 20.095 -7.041 27.412 -99.200 -91.000 TYR 198 0.840 13.083 4.303 36.546 -99.200 -91.000 PHE 214 1.000 7.326 -4.683 27.465 -99.200 -91.000 HIS 221 0.900 23.276 -12.092 27.935 -99.200 -91.000