============================================================================= 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. TRP 14 1.040 8.274 6.262 18.531 -99.200 -91.000 TRP6 14 1.020 6.995 8.115 19.285 -99.200 -91.000 PHE 19 1.000 12.755 -5.255 3.268 -99.200 -91.000 TRP 37 1.040 22.773 10.358 14.407 -99.200 -91.000 TRP6 37 1.020 24.558 8.839 14.337 -99.200 -91.000 HIS 43 0.900 19.307 -9.037 19.509 -99.200 -91.000 TYR 47 0.840 23.362 -14.243 18.804 -99.200 -91.000 TRP 49 1.040 21.621 -18.058 16.356 -99.200 -91.000 TRP6 49 1.020 19.697 -16.745 16.749 -99.200 -91.000 PHE 53 1.000 22.381 -9.100 8.464 -99.200 -91.000 HIS 65 0.900 -0.923 0.526 10.385 -99.200 -91.000 TYR 70 0.840 7.295 1.501 -1.879 -99.200 -91.000 TYR 84 0.840 29.112 5.331 14.112 -99.200 -91.000 HIS 86 0.900 28.778 -0.094 24.835 -99.200 -91.000 TYR 89 0.840 26.458 -7.408 20.923 -99.200 -91.000 TRP 91 1.040 29.742 -11.144 20.306 -99.200 -91.000 TRP6 91 1.020 30.697 -13.286 19.943 -99.200 -91.000 PHE 110 1.000 12.035 14.612 11.665 -99.200 -91.000 TYR 113 0.840 1.083 9.203 7.599 -99.200 -91.000 HIS 115 0.900 7.643 14.360 15.456 -99.200 -91.000 TYR 132 0.840 5.591 4.420 37.890 -99.200 -91.000 TRP 139 1.040 5.398 -3.998 11.218 -99.200 -91.000 TRP6 139 1.020 6.851 -2.157 11.347 -99.200 -91.000 PHE 176 1.000 13.543 -1.643 30.855 -99.200 -91.000 TYR 180 0.840 0.168 -7.002 32.345 -99.200 -91.000 PHE 199 1.000 9.048 -0.720 28.313 -99.200 -91.000 PHE 205 1.000 6.830 13.932 35.974 -99.200 -91.000 TRP 209 1.040 4.012 9.169 23.304 -99.200 -91.000 TRP6 209 1.020 3.293 7.168 24.340 -99.200 -91.000 TYR 210 0.840 11.028 11.968 27.609 -99.200 -91.000 TRP 217 1.040 18.203 -10.900 27.112 -99.200 -91.000 TRP6 217 1.020 17.768 -12.528 28.754 -99.200 -91.000 TYR 227 0.840 8.468 -11.758 34.707 -99.200 -91.000 PHE 229 1.000 15.249 -10.497 31.368 -99.200 -91.000 TYR 230 0.840 11.536 -4.936 27.071 -99.200 -91.000 HIS 232 0.900 18.281 1.453 32.643 -99.200 -91.000 PHE 234 1.000 20.050 8.333 32.399 -99.200 -91.000 TRP 239 1.040 28.582 3.778 22.616 -99.200 -91.000 TRP6 239 1.020 26.813 3.114 21.211 -99.200 -91.000 PHE 247 1.000 32.332 8.349 15.324 -99.200 -91.000