============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 6 0.900 6.198 30.496 -55.908 -99.200 -91.000 PHE 22 1.000 2.992 41.834 -74.723 -99.200 -91.000 TYR 27 0.840 -7.456 43.297 -82.272 -99.200 -91.000 PHE 55 1.000 -10.431 48.182 -73.993 -99.200 -91.000 TYR 66 0.840 1.723 50.923 -62.312 -99.200 -91.000 TYR 79 0.840 4.859 45.948 -76.544 -99.200 -91.000 HIS 99 0.900 -4.004 54.843 -55.569 -99.200 -91.000 TYR 125 0.840 -2.282 36.913 -50.993 -99.200 -91.000 TYR 132 0.840 -3.809 24.903 -42.917 -99.200 -91.000 PHE 142 1.000 -14.423 38.881 -49.310 -99.200 -91.000 PHE 147 1.000 -14.649 45.424 -48.807 -99.200 -91.000 TYR 149 0.840 -13.130 44.547 -59.489 -99.200 -91.000 PHE 150 1.000 -19.520 47.273 -53.842 -99.200 -91.000 HIS 151 0.900 -14.256 51.942 -51.409 -99.200 -91.000 HIS 159 0.900 -15.363 62.428 -63.079 -99.200 -91.000 TYR 175 0.840 -20.156 32.553 -63.569 -99.200 -91.000 TYR 184 0.840 -9.221 34.749 -57.189 -99.200 -91.000 PHE 194 1.000 -19.721 46.522 -58.301 -99.200 -91.000 TRP 218 1.040 2.474 31.838 -69.055 -99.200 -91.000 TRP6 218 1.020 2.920 30.653 -67.057 -99.200 -91.000 PHE 226 1.000 -2.677 28.684 -58.463 -99.200 -91.000 PHE 234 1.000 -2.688 28.620 -65.058 -99.200 -91.000 TYR 246 0.840 -3.230 35.543 -78.575 -99.200 -91.000 TYR 252 0.840 -11.463 42.176 -70.381 -99.200 -91.000 TYR 254 0.840 -19.785 41.715 -77.963 -99.200 -91.000 TYR 262 0.840 -31.353 44.784 -77.058 -99.200 -91.000 HIS 268 0.900 -18.996 32.384 -68.034 -99.200 -91.000