============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 10 1.000 -40.218 52.474 35.130 -99.200 -91.000 PHE 35 1.000 -29.557 59.573 33.099 -99.200 -91.000 TYR 40 0.840 -34.734 52.550 26.901 -99.200 -91.000 TYR 43 0.840 -36.767 46.852 25.370 -99.200 -91.000 PHE 45 1.000 -44.136 47.780 34.288 -99.200 -91.000 TYR 47 0.840 -40.345 42.519 25.512 -99.200 -91.000 HIS 51 0.900 -37.640 39.414 39.245 -99.200 -91.000 TYR 54 0.840 -47.390 44.295 33.936 -99.200 -91.000 PHE 60 1.000 -45.160 55.586 22.733 -99.200 -91.000 HIS 70 0.900 -52.955 54.366 37.087 -99.200 -91.000 TYR 75 0.840 -44.163 64.515 35.833 -99.200 -91.000 TRP 85 1.040 -42.117 64.760 43.232 -99.200 -91.000 TRP6 85 1.020 -42.379 62.769 41.986 -99.200 -91.000 TYR 92 0.840 -48.079 59.027 51.387 -99.200 -91.000 TYR 100 0.840 -30.843 62.994 43.906 -99.200 -91.000 HIS 109 0.900 -37.622 63.385 45.393 -99.200 -91.000 PHE 129 1.000 -39.605 53.890 60.235 -99.200 -91.000 TYR 138 0.840 -44.624 57.279 59.257 -99.200 -91.000 HIS 164 0.900 -31.837 40.103 71.525 -99.200 -91.000 PHE 167 1.000 -33.848 29.921 70.747 -99.200 -91.000 HIS 178 0.900 -26.726 41.436 47.460 -99.200 -91.000 TYR 180 0.840 -24.720 39.622 38.175 -99.200 -91.000 TRP 195 1.040 -9.627 51.391 44.996 -99.200 -91.000 TRP6 195 1.020 -7.317 51.176 45.425 -99.200 -91.000 HIS 202 0.900 -20.807 35.714 33.828 -99.200 -91.000 PHE 232 1.000 -17.184 36.484 51.046 -99.200 -91.000 TYR 254 0.840 -31.286 24.031 63.038 -99.200 -91.000 TYR 275 0.840 -39.505 25.973 59.229 -99.200 -91.000 PHE 285 1.000 -36.099 30.573 48.441 -99.200 -91.000 HIS 290 0.900 -42.999 34.618 52.003 -99.200 -91.000 PHE 294 1.000 -34.459 28.891 59.995 -99.200 -91.000 PHE 306 1.000 -20.295 29.919 67.465 -99.200 -91.000 TRP 312 1.040 -32.374 30.304 50.641 -99.200 -91.000 TRP6 312 1.020 -30.641 30.327 49.053 -99.200 -91.000 TYR 313 0.840 -31.269 38.839 51.004 -99.200 -91.000 TYR 317 0.840 -41.395 40.234 42.217 -99.200 -91.000 TYR 319 0.840 -35.651 47.561 49.656 -99.200 -91.000 HIS 321 0.900 -44.653 42.243 46.090 -99.200 -91.000 TYR 329 0.840 -47.391 51.176 59.721 -99.200 -91.000 PHE 331 1.000 -53.551 57.142 52.252 -99.200 -91.000