============================================================================= 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. PHE 23 1.000 20.140 -10.662 -32.462 -99.200 -91.000 PHE 38 1.000 16.409 -11.990 -35.483 -99.200 -91.000 TYR 39 0.840 16.815 -6.217 -32.935 -99.200 -91.000 PHE 49 1.000 16.256 1.586 -38.946 -99.200 -91.000 TRP 50 1.040 21.412 9.644 -33.990 -99.200 -91.000 TRP6 50 1.020 19.882 11.450 -33.895 -99.200 -91.000 PHE 74 1.000 11.002 3.258 -41.407 -99.200 -91.000 HIS 81 0.900 20.929 19.880 -37.978 -99.200 -91.000 PHE 83 1.000 8.237 21.214 -44.367 -99.200 -91.000 PHE 117 1.000 5.204 15.418 -44.489 -99.200 -91.000 TYR 125 0.840 17.078 10.922 -27.192 -99.200 -91.000 PHE 135 1.000 15.189 15.320 -13.435 -99.200 -91.000 PHE 138 1.000 23.274 19.225 -20.045 -99.200 -91.000 TYR 140 0.840 25.387 21.313 -30.624 -99.200 -91.000 TRP 153 1.040 12.744 20.707 -25.145 -99.200 -91.000 TRP6 153 1.020 12.322 22.358 -26.813 -99.200 -91.000 TYR 179 0.840 14.850 1.888 -19.889 -99.200 -91.000 PHE 186 1.000 10.582 17.189 -13.159 -99.200 -91.000 HIS 198 0.900 17.938 5.582 -25.917 -99.200 -91.000 HIS 206 0.900 17.797 -2.554 -15.129 -99.200 -91.000 PHE 207 1.000 13.653 -3.200 -21.452 -99.200 -91.000 PHE 211 1.000 7.055 -0.599 -20.573 -99.200 -91.000 PHE 224 1.000 15.991 -4.850 -26.713 -99.200 -91.000 HIS 225 0.900 21.195 -3.181 -31.468 -99.200 -91.000 PHE 226 1.000 26.772 -5.032 -29.078 -99.200 -91.000 TYR 237 0.840 10.210 -9.813 -15.781 -99.200 -91.000 HIS 241 0.900 6.446 -10.857 -12.964 -99.200 -91.000