============================================================================= 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 17 0.840 24.385 16.053 31.206 -99.200 -91.000 PHE 30 1.000 15.424 19.847 30.912 -99.200 -91.000 HIS 49 0.900 23.204 21.670 21.517 -99.200 -91.000 TYR 53 0.840 29.164 12.240 19.009 -99.200 -91.000 TYR 64 0.840 3.297 23.351 35.930 -99.200 -91.000 HIS 108 0.900 -2.487 20.166 31.696 -99.200 -91.000 TYR 111 0.840 1.917 13.378 39.062 -99.200 -91.000 HIS 126 0.900 1.097 21.417 52.354 -99.200 -91.000 TYR 128 0.840 -0.212 11.001 51.650 -99.200 -91.000 PHE 141 1.000 18.111 13.153 45.964 -99.200 -91.000 PHE 150 1.000 27.654 6.963 57.180 -99.200 -91.000 TYR 152 0.840 34.917 12.153 49.593 -99.200 -91.000 PHE 158 1.000 36.444 2.190 57.909 -99.200 -91.000 HIS 173 0.900 18.701 16.201 52.497 -99.200 -91.000 PHE 181 1.000 28.160 6.364 62.380 -99.200 -91.000 PHE 193 1.000 31.856 2.994 62.130 -99.200 -91.000 TRP 221 1.040 29.063 18.723 39.863 -99.200 -91.000 TRP6 221 1.020 28.061 19.551 37.882 -99.200 -91.000 HIS 229 0.900 21.220 4.813 42.148 -99.200 -91.000 HIS 236 0.900 16.046 0.897 32.360 -99.200 -91.000 PHE 252 1.000 12.319 1.636 59.663 -99.200 -91.000 HIS 254 0.900 9.051 6.221 65.011 -99.200 -91.000 PHE 259 1.000 11.278 8.922 59.774 -99.200 -91.000 TRP 276 1.040 17.351 -1.714 56.055 -99.200 -91.000 TRP6 276 1.020 18.996 -0.111 55.485 -99.200 -91.000 TYR 281 0.840 24.071 6.782 67.884 -99.200 -91.000 TYR 297 0.840 2.080 18.270 57.178 -99.200 -91.000