============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 49.856 17.641 40.188 -99.200 -91.000 HIS 20 0.900 36.961 4.295 41.282 -99.200 -91.000 TYR 29 0.840 41.926 8.130 46.890 -99.200 -91.000 TYR 32 0.840 54.764 14.615 41.163 -99.200 -91.000 HIS 43 0.900 63.549 8.354 51.734 -99.200 -91.000 PHE 46 1.000 54.567 10.352 57.255 -99.200 -91.000 TYR 48 0.840 50.753 7.296 53.275 -99.200 -91.000 TYR 58 0.840 44.614 23.432 44.200 -99.200 -91.000 TRP 68 1.040 43.723 31.100 56.465 -99.200 -91.000 TRP6 68 1.020 44.865 31.580 54.452 -99.200 -91.000 TYR 77 0.840 40.496 27.101 60.687 -99.200 -91.000 PHE 99 1.000 53.175 26.281 51.521 -99.200 -91.000 PHE 103 1.000 55.373 18.897 45.354 -99.200 -91.000 TYR 132 0.840 41.154 37.927 29.996 -99.200 -91.000 PHE 143 1.000 50.578 37.036 38.997 -99.200 -91.000 PHE 144 1.000 46.034 37.136 36.433 -99.200 -91.000 PHE 152 1.000 51.134 39.889 34.557 -99.200 -91.000 TRP 156 1.040 41.653 42.122 40.293 -99.200 -91.000 TRP6 156 1.020 40.730 40.012 40.842 -99.200 -91.000 TYR 158 0.840 37.385 40.286 31.067 -99.200 -91.000 PHE 167 1.000 37.133 35.404 38.944 -99.200 -91.000 TYR 185 0.840 37.022 30.716 30.218 -99.200 -91.000 TYR 187 0.840 41.231 27.702 34.098 -99.200 -91.000 TYR 196 0.840 48.110 15.116 32.780 -99.200 -91.000 TYR 217 0.840 52.297 22.964 42.073 -99.200 -91.000 TRP 251 1.040 52.428 9.489 38.157 -99.200 -91.000 TRP6 251 1.020 50.543 8.079 37.905 -99.200 -91.000 TRP 252 1.040 53.207 16.495 33.608 -99.200 -91.000 TRP6 252 1.020 52.854 16.158 35.922 -99.200 -91.000 TYR 253 0.840 56.614 15.478 28.590 -99.200 -91.000