============================================================================= 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. TYR 37 0.840 45.145 17.525 52.405 -99.200 -91.000 TRP 40 1.040 38.355 6.714 47.621 -99.200 -91.000 TRP6 40 1.020 37.410 6.315 45.494 -99.200 -91.000 TYR 41 0.840 32.814 11.192 51.855 -99.200 -91.000 PHE 54 1.000 40.934 10.480 57.605 -99.200 -91.000 TRP 55 1.040 44.629 13.317 55.495 -99.200 -91.000 TRP6 55 1.020 45.300 12.800 57.693 -99.200 -91.000 PHE 67 1.000 34.641 -1.380 52.207 -99.200 -91.000 PHE 76 1.000 44.015 10.739 44.525 -99.200 -91.000 TYR 91 0.840 31.411 1.599 47.536 -99.200 -91.000 TYR 92 0.840 28.163 9.505 45.276 -99.200 -91.000 TYR 97 0.840 45.509 20.970 46.927 -99.200 -91.000 PHE 102 1.000 30.680 14.725 47.986 -99.200 -91.000 PHE 122 1.000 -1.315 -8.502 49.449 -99.200 -91.000 PHE 139 1.000 3.115 -5.827 48.020 -99.200 -91.000 PHE 143 1.000 12.262 -9.852 41.224 -99.200 -91.000 TYR 144 0.840 20.749 -11.129 40.428 -99.200 -91.000 TRP 152 1.040 -1.310 -6.542 37.014 -99.200 -91.000 TRP6 152 1.020 -2.206 -7.443 39.004 -99.200 -91.000 TRP 167 1.040 11.821 -3.987 39.017 -99.200 -91.000 TRP6 167 1.020 10.366 -3.034 37.427 -99.200 -91.000 TYR 177 0.840 17.678 -6.035 41.544 -99.200 -91.000 TYR 190 0.840 -12.411 -5.758 42.201 -99.200 -91.000 HIS 193 0.900 -13.301 -6.710 33.478 -99.200 -91.000 TYR 196 0.840 -10.073 -8.530 38.942 -99.200 -91.000 HIS 202 0.900 13.536 -13.871 37.572 -99.200 -91.000 PHE 213 1.000 -8.654 -10.963 43.550 -99.200 -91.000