============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 5 0.900 -34.858 48.260 52.125 -99.200 -91.000 TYR 7 0.840 -30.184 47.469 49.304 -99.200 -91.000 TYR 8 0.840 -21.801 46.154 51.811 -99.200 -91.000 TRP 12 1.040 -10.747 46.370 48.186 -99.200 -91.000 TRP6 12 1.020 -10.252 48.518 49.024 -99.200 -91.000 HIS 15 0.900 -15.255 46.143 39.919 -99.200 -91.000 TRP 19 1.040 -22.520 49.660 33.833 -99.200 -91.000 TRP6 19 1.020 -24.161 49.440 32.145 -99.200 -91.000 TRP 22 1.040 -17.328 56.654 21.524 -99.200 -91.000 TRP6 22 1.020 -15.483 55.152 21.464 -99.200 -91.000 TRP 29 1.040 -14.342 64.905 25.133 -99.200 -91.000 TRP6 29 1.020 -12.866 63.795 26.592 -99.200 -91.000 HIS 31 0.900 -6.417 67.627 16.338 -99.200 -91.000 PHE 40 1.000 -13.381 58.186 27.252 -99.200 -91.000 PHE 50 1.000 -6.942 43.060 34.451 -99.200 -91.000 TRP 62 1.040 -24.499 51.347 19.113 -99.200 -91.000 TRP6 62 1.020 -24.227 49.632 17.541 -99.200 -91.000 TRP 82 1.040 -16.313 63.941 31.869 -99.200 -91.000 TRP6 82 1.020 -14.020 63.413 31.704 -99.200 -91.000 PHE 83 1.000 -21.728 56.642 31.085 -99.200 -91.000 PHE 90 1.000 -24.588 49.739 39.449 -99.200 -91.000 TRP 104 1.040 -25.234 59.621 44.045 -99.200 -91.000 TRP6 104 1.020 -25.644 59.427 46.374 -99.200 -91.000 PHE 106 1.000 -23.779 65.606 36.413 -99.200 -91.000 TRP 109 1.040 -18.588 67.344 37.477 -99.200 -91.000 TRP6 109 1.020 -19.100 67.040 35.186 -99.200 -91.000 TYR 117 0.840 -21.394 69.258 30.505 -99.200 -91.000 TRP 120 1.040 -27.510 69.888 34.594 -99.200 -91.000 TRP6 120 1.020 -26.878 72.170 34.619 -99.200 -91.000 HIS 122 0.900 -29.027 64.500 25.552 -99.200 -91.000 PHE 139 1.000 -32.714 52.079 47.608 -99.200 -91.000 HIS 141 0.900 -30.230 61.811 48.779 -99.200 -91.000 HIS 150 0.900 -12.040 56.758 45.840 -99.200 -91.000 HIS 172 0.900 -30.111 72.031 50.217 -99.200 -91.000 TYR 184 0.840 -30.131 57.369 50.141 -99.200 -91.000 PHE 190 1.000 -19.365 60.367 56.608 -99.200 -91.000 TRP 192 1.040 -16.068 65.336 56.333 -99.200 -91.000 TRP6 192 1.020 -17.371 66.263 54.611 -99.200 -91.000 TYR 198 0.840 -2.677 74.852 41.554 -99.200 -91.000 HIS 206 0.900 -15.464 64.936 41.489 -99.200 -91.000 PHE 212 1.000 -10.382 54.555 52.448 -99.200 -91.000 TRP 222 1.040 4.760 64.059 48.835 -99.200 -91.000 TRP6 222 1.020 3.716 64.840 50.802 -99.200 -91.000 TYR 231 0.840 5.538 71.117 50.432 -99.200 -91.000 TYR 258 0.840 7.179 61.698 45.577 -99.200 -91.000 TYR 264 0.840 2.538 74.558 33.567 -99.200 -91.000 TYR 291 0.840 1.707 59.244 37.637 -99.200 -91.000 PHE 294 1.000 -5.398 53.483 41.858 -99.200 -91.000 TYR 295 0.840 -12.631 50.560 37.275 -99.200 -91.000 PHE 306 1.000 -1.016 61.579 34.494 -99.200 -91.000 PHE 323 1.000 -4.012 48.880 44.796 -99.200 -91.000 HIS 325 0.900 -2.116 39.160 46.976 -99.200 -91.000 HIS 326 0.900 -5.861 44.070 42.822 -99.200 -91.000 HIS 345 0.900 -12.226 56.425 40.545 -99.200 -91.000