============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 9 1.000 43.261 2.414 -0.247 -99.200 -91.000 HIS 36 0.900 44.365 -12.827 23.875 -99.200 -91.000 TYR 38 0.840 39.971 -13.240 18.746 -99.200 -91.000 TRP 39 1.040 42.332 -11.528 10.418 -99.200 -91.000 TRP6 39 1.020 42.660 -9.461 9.327 -99.200 -91.000 TYR 40 0.840 34.451 -11.161 14.394 -99.200 -91.000 TYR 53 0.840 39.467 -20.204 16.773 -99.200 -91.000 PHE 66 1.000 37.413 -16.381 3.669 -99.200 -91.000 PHE 75 1.000 48.444 -9.510 14.578 -99.200 -91.000 TYR 90 0.840 36.994 -9.956 3.798 -99.200 -91.000 TYR 91 0.840 34.669 -3.973 9.900 -99.200 -91.000 TYR 100 0.840 37.669 -7.463 25.497 -99.200 -91.000 PHE 102 1.000 35.140 -5.218 16.844 -99.200 -91.000 PHE 122 1.000 12.501 4.483 -16.054 -99.200 -91.000 PHE 139 1.000 16.226 3.423 -11.858 -99.200 -91.000 PHE 143 1.000 28.281 1.897 -13.143 -99.200 -91.000 TYR 144 0.840 35.101 -3.632 -12.415 -99.200 -91.000 TRP 152 1.040 20.614 14.439 -14.342 -99.200 -91.000 TRP6 152 1.020 18.589 13.460 -15.069 -99.200 -91.000 TRP 167 1.040 28.279 4.977 -7.852 -99.200 -91.000 TRP6 167 1.020 28.303 7.337 -7.845 -99.200 -91.000 TYR 177 0.840 31.374 -1.433 -8.234 -99.200 -91.000 TYR 190 0.840 8.568 17.764 -16.120 -99.200 -91.000 HIS 193 0.900 13.732 24.947 -18.854 -99.200 -91.000 TYR 196 0.840 12.845 18.225 -18.333 -99.200 -91.000 HIS 202 0.900 32.077 2.485 -17.357 -99.200 -91.000 PHE 213 1.000 11.486 13.106 -19.746 -99.200 -91.000