============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 20 1.040 16.284 14.178 30.392 -99.200 -91.000 TRP6 20 1.020 14.947 12.821 28.999 -99.200 -91.000 HIS 22 0.900 22.055 20.287 24.251 -99.200 -91.000 TRP 48 1.040 26.569 22.268 15.549 -99.200 -91.000 TRP6 48 1.020 28.915 22.294 15.247 -99.200 -91.000 PHE 64 1.000 12.400 17.690 30.059 -99.200 -91.000 HIS 75 0.900 34.235 25.818 23.272 -99.200 -91.000 HIS 77 0.900 35.998 27.070 19.106 -99.200 -91.000 HIS 95 0.900 24.007 32.162 34.221 -99.200 -91.000 TYR 109 0.840 29.364 33.233 17.357 -99.200 -91.000 PHE 124 1.000 20.756 27.332 37.515 -99.200 -91.000 PHE 132 1.000 38.555 24.082 38.054 -99.200 -91.000 TYR 133 0.840 40.113 29.423 32.575 -99.200 -91.000 HIS 138 0.900 38.146 23.197 21.673 -99.200 -91.000 TRP 146 1.040 31.476 18.391 40.478 -99.200 -91.000 TRP6 146 1.020 32.190 16.187 39.991 -99.200 -91.000 TYR 150 0.840 22.052 14.175 39.260 -99.200 -91.000 TYR 173 0.840 46.150 29.617 24.250 -99.200 -91.000 TRP 177 1.040 43.452 20.111 25.893 -99.200 -91.000 TRP6 177 1.020 42.797 20.281 23.632 -99.200 -91.000 TYR 188 0.840 35.470 19.040 39.671 -99.200 -91.000 HIS 198 0.900 32.043 18.197 19.014 -99.200 -91.000 HIS 209 0.900 41.234 8.755 23.780 -99.200 -91.000