============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 11 1.000 48.035 27.439 2.510 -99.200 -91.000 HIS 41 0.900 52.342 11.261 8.137 -99.200 -91.000 HIS 45 0.900 49.713 15.883 3.087 -99.200 -91.000 TRP 51 1.040 45.285 17.430 1.568 -99.200 -91.000 TRP6 51 1.020 44.597 16.887 3.749 -99.200 -91.000 PHE 59 1.000 46.784 26.596 9.000 -99.200 -91.000 HIS 63 0.900 44.268 16.922 13.087 -99.200 -91.000 PHE 68 1.000 44.866 19.435 33.614 -99.200 -91.000 HIS 78 0.900 25.081 18.459 30.465 -99.200 -91.000 TRP 89 1.040 39.215 16.279 10.565 -99.200 -91.000 TRP6 89 1.020 40.740 17.780 9.547 -99.200 -91.000 TYR 91 0.840 36.012 24.440 16.916 -99.200 -91.000 HIS 96 0.900 20.754 22.346 10.018 -99.200 -91.000 HIS 99 0.900 25.638 13.070 5.425 -99.200 -91.000 TRP 104 1.040 26.675 7.218 9.756 -99.200 -91.000 TRP6 104 1.020 28.816 6.241 9.357 -99.200 -91.000 TYR 116 0.840 42.663 21.713 6.311 -99.200 -91.000 PHE 122 1.000 50.774 21.415 15.408 -99.200 -91.000 TYR 125 0.840 46.016 29.207 28.035 -99.200 -91.000 PHE 132 1.000 30.111 18.679 17.419 -99.200 -91.000 HIS 135 0.900 33.555 14.919 27.712 -99.200 -91.000 PHE 142 1.000 46.476 16.003 30.382 -99.200 -91.000 TYR 156 0.840 36.598 1.475 17.816 -99.200 -91.000 TRP 169 1.040 43.067 -15.427 9.347 -99.200 -91.000 TRP6 169 1.020 45.098 -15.078 10.506 -99.200 -91.000 HIS 180 0.900 51.857 2.398 17.342 -99.200 -91.000 TYR 185 0.840 41.993 1.291 18.938 -99.200 -91.000 TYR 226 0.840 53.849 -15.002 4.067 -99.200 -91.000 PHE 248 1.000 43.570 0.815 -4.067 -99.200 -91.000 PHE 271 1.000 46.199 5.623 -4.971 -99.200 -91.000 PHE 276 1.000 37.045 -10.619 -14.919 -99.200 -91.000 PHE 302 1.000 38.154 -1.188 22.208 -99.200 -91.000 PHE 324 1.000 54.623 20.037 10.233 -99.200 -91.000