============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 7 1.040 6.302 43.740 24.220 -99.200 -91.000 TRP6 7 1.020 4.561 44.002 25.802 -99.200 -91.000 TRP 26 1.040 11.879 24.193 14.076 -99.200 -91.000 TRP6 26 1.020 10.261 23.051 15.370 -99.200 -91.000 PHE 28 1.000 16.078 27.229 21.445 -99.200 -91.000 HIS 61 0.900 10.349 18.119 8.302 -99.200 -91.000 PHE 68 1.000 8.237 31.456 12.176 -99.200 -91.000 TYR 70 0.840 2.926 22.629 9.126 -99.200 -91.000 TYR 72 0.840 2.927 30.559 17.100 -99.200 -91.000 TYR 74 0.840 3.429 19.483 20.032 -99.200 -91.000 TYR 87 0.840 10.606 16.981 26.534 -99.200 -91.000 TYR 89 0.840 18.034 22.890 22.540 -99.200 -91.000 TYR 108 0.840 -1.675 29.707 13.892 -99.200 -91.000 HIS 113 0.900 2.369 37.244 4.230 -99.200 -91.000 PHE 139 1.000 21.215 38.045 11.179 -99.200 -91.000 HIS 141 0.900 31.328 36.003 11.130 -99.200 -91.000 TYR 142 0.840 24.307 43.178 15.300 -99.200 -91.000 PHE 147 1.000 22.727 43.367 9.361 -99.200 -91.000 HIS 157 0.900 17.916 32.396 12.613 -99.200 -91.000 TYR 164 0.840 7.354 49.858 18.126 -99.200 -91.000 TRP 165 1.040 14.173 52.286 20.721 -99.200 -91.000 TRP6 165 1.020 15.056 54.337 21.481 -99.200 -91.000 TYR 168 0.840 16.767 50.729 17.434 -99.200 -91.000 TRP 169 1.040 11.420 46.092 12.545 -99.200 -91.000 TRP6 169 1.020 9.271 46.668 13.315 -99.200 -91.000 TRP 175 1.040 22.009 31.684 15.993 -99.200 -91.000 TRP6 175 1.020 22.676 32.997 14.141 -99.200 -91.000 TYR 178 0.840 29.554 34.364 25.856 -99.200 -91.000 TRP 179 1.040 25.168 36.656 16.362 -99.200 -91.000 TRP6 179 1.020 23.112 37.816 16.175 -99.200 -91.000 TYR 184 0.840 17.618 40.421 23.287 -99.200 -91.000 TYR 203 0.840 2.223 33.131 10.566 -99.200 -91.000 TYR 204 0.840 -0.746 38.724 16.572 -99.200 -91.000