============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 9 0.900 4.039 50.563 52.814 -99.200 -91.000 PHE 14 1.000 -9.899 38.970 39.995 -99.200 -91.000 PHE 24 1.000 1.883 23.477 33.468 -99.200 -91.000 PHE 41 1.000 4.108 25.376 40.109 -99.200 -91.000 PHE 45 1.000 -0.801 27.762 41.160 -99.200 -91.000 TYR 52 0.840 -6.838 37.860 47.457 -99.200 -91.000 PHE 65 1.000 -2.966 22.953 16.662 -99.200 -91.000 PHE 67 1.000 -12.187 27.406 11.666 -99.200 -91.000 PHE 77 1.000 -12.279 22.763 28.113 -99.200 -91.000 TRP 83 1.040 -2.840 23.784 35.487 -99.200 -91.000 TRP6 83 1.020 -1.364 23.708 37.363 -99.200 -91.000 PHE 95 1.000 -17.496 25.181 34.928 -99.200 -91.000 HIS 123 0.900 -22.881 32.291 40.365 -99.200 -91.000 PHE 135 1.000 -13.726 31.949 15.356 -99.200 -91.000 HIS 138 0.900 -11.646 42.238 9.365 -99.200 -91.000 TRP 142 1.040 -5.736 37.144 14.385 -99.200 -91.000 TRP6 142 1.020 -3.748 37.884 13.317 -99.200 -91.000 PHE 144 1.000 -5.159 37.194 23.993 -99.200 -91.000 TYR 192 0.840 9.338 46.531 25.951 -99.200 -91.000 TRP 196 1.040 18.875 43.515 20.694 -99.200 -91.000 TRP6 196 1.020 21.211 43.821 20.914 -99.200 -91.000 HIS 204 0.900 8.529 42.265 22.689 -99.200 -91.000 PHE 221 1.000 4.578 41.960 42.129 -99.200 -91.000 PHE 233 1.000 5.435 35.586 47.801 -99.200 -91.000 PHE 238 1.000 7.215 44.822 46.056 -99.200 -91.000 TRP 241 1.040 4.987 40.486 48.548 -99.200 -91.000 TRP6 241 1.020 5.436 40.200 46.239 -99.200 -91.000 HIS 244 0.900 11.727 33.854 50.458 -99.200 -91.000