============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 6 1.000 -1.301 24.268 25.138 -99.200 -91.000 HIS 26 0.900 -11.084 12.304 21.454 -99.200 -91.000 TYR 30 0.840 2.377 16.742 30.471 -99.200 -91.000 TYR 31 0.840 -0.152 27.543 30.736 -99.200 -91.000 TYR 40 0.840 9.492 35.116 29.798 -99.200 -91.000 PHE 51 1.000 14.892 34.430 31.892 -99.200 -91.000 TRP 53 1.040 16.049 27.424 23.005 -99.200 -91.000 TRP6 53 1.020 15.485 25.233 22.308 -99.200 -91.000 PHE 57 1.000 9.384 21.204 34.150 -99.200 -91.000 TYR 78 0.840 14.409 30.874 11.650 -99.200 -91.000 TYR 121 0.840 -0.130 39.752 16.524 -99.200 -91.000 PHE 142 1.000 -7.059 46.818 27.045 -99.200 -91.000 TYR 151 0.840 -12.264 38.604 33.907 -99.200 -91.000 HIS 181 0.900 -2.331 38.144 30.950 -99.200 -91.000 TYR 182 0.840 -4.415 42.722 25.701 -99.200 -91.000 PHE 192 1.000 -14.582 52.274 22.858 -99.200 -91.000 TYR 215 0.840 0.958 17.451 6.664 -99.200 -91.000 HIS 216 0.900 3.636 16.601 11.566 -99.200 -91.000 HIS 228 0.900 -5.998 18.004 30.543 -99.200 -91.000 PHE 230 1.000 -3.406 22.978 33.796 -99.200 -91.000 PHE 231 1.000 4.510 20.574 34.866 -99.200 -91.000 PHE 239 1.000 -0.979 28.496 36.444 -99.200 -91.000 TRP 246 1.040 -9.287 33.143 33.726 -99.200 -91.000 TRP6 246 1.020 -7.282 34.077 32.930 -99.200 -91.000 HIS 254 0.900 7.441 26.775 43.203 -99.200 -91.000