============================================================================= 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 7 1.000 41.885 0.364 17.245 -99.200 -91.000 HIS 17 0.900 49.354 1.500 24.323 -99.200 -91.000 TRP 22 1.040 46.248 2.586 12.947 -99.200 -91.000 TRP6 22 1.020 44.354 3.636 11.985 -99.200 -91.000 PHE 43 1.000 37.545 10.839 24.060 -99.200 -91.000 PHE 48 1.000 41.769 11.042 20.078 -99.200 -91.000 HIS 49 0.900 41.342 19.069 20.786 -99.200 -91.000 TYR 53 0.840 43.308 12.866 13.048 -99.200 -91.000 HIS 54 0.900 38.519 19.765 14.377 -99.200 -91.000 PHE 57 1.000 34.641 14.158 24.259 -99.200 -91.000 PHE 79 1.000 26.514 13.509 22.000 -99.200 -91.000 TYR 105 0.840 30.120 -1.738 22.339 -99.200 -91.000 PHE 110 1.000 25.768 -13.468 30.025 -99.200 -91.000 TYR 117 0.840 20.320 -13.128 20.822 -99.200 -91.000 TYR 119 0.840 18.570 -2.778 25.343 -99.200 -91.000 TRP 123 1.040 20.708 -0.447 20.910 -99.200 -91.000 TRP6 123 1.020 22.192 0.391 19.249 -99.200 -91.000 TYR 128 0.840 14.200 -1.595 8.863 -99.200 -91.000 HIS 129 0.900 11.168 0.293 12.249 -99.200 -91.000 TYR 130 0.840 19.088 7.157 14.479 -99.200 -91.000 PHE 137 1.000 19.761 4.131 2.956 -99.200 -91.000 PHE 140 1.000 29.519 10.816 -1.848 -99.200 -91.000 TRP 143 1.040 25.572 1.420 11.110 -99.200 -91.000 TRP6 143 1.020 24.384 -0.493 10.345 -99.200 -91.000 HIS 157 0.900 36.703 -19.402 15.516 -99.200 -91.000 HIS 165 0.900 29.561 -16.034 20.403 -99.200 -91.000 PHE 167 1.000 27.614 -17.627 12.108 -99.200 -91.000 HIS 168 0.900 20.023 -17.345 17.733 -99.200 -91.000 TYR 175 0.840 25.101 -6.154 10.505 -99.200 -91.000 PHE 183 1.000 23.208 2.029 5.870 -99.200 -91.000 HIS 191 0.900 40.568 -7.534 0.565 -99.200 -91.000 TYR 197 0.840 38.760 -14.587 10.917 -99.200 -91.000 PHE 199 1.000 36.963 -10.443 19.762 -99.200 -91.000 TYR 200 0.840 42.682 -12.468 15.056 -99.200 -91.000 TYR 202 0.840 42.603 -8.302 25.023 -99.200 -91.000 TRP 214 1.040 34.689 -14.455 17.044 -99.200 -91.000 TRP6 214 1.020 32.466 -15.282 17.172 -99.200 -91.000 TYR 233 0.840 43.780 -0.947 4.488 -99.200 -91.000 HIS 247 0.900 36.723 -5.658 18.608 -99.200 -91.000 PHE 254 1.000 34.466 4.941 1.279 -99.200 -91.000