============================================================================= 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 3 0.900 -118.882 -60.111 84.171 -99.200 -91.000 PHE 12 1.000 -130.723 -47.860 81.504 -99.200 -91.000 PHE 14 1.000 -132.836 -38.466 79.110 -99.200 -91.000 TYR 30 0.840 -136.290 -17.569 76.192 -99.200 -91.000 PHE 36 1.000 -135.510 -24.349 89.888 -99.200 -91.000 HIS 82 0.900 -128.582 -31.654 97.812 -99.200 -91.000 PHE 110 1.000 -147.043 -31.147 76.927 -99.200 -91.000 PHE 131 1.000 -148.009 -35.334 78.220 -99.200 -91.000 PHE 135 1.000 -136.794 -35.220 86.460 -99.200 -91.000 TYR 136 0.840 -138.314 -35.078 81.404 -99.200 -91.000 PHE 139 1.000 -132.031 -32.194 82.431 -99.200 -91.000 HIS 151 0.900 -141.797 -48.428 95.827 -99.200 -91.000 HIS 157 0.900 -131.574 -49.182 92.622 -99.200 -91.000 TRP 159 1.040 -132.655 -41.006 85.855 -99.200 -91.000 TRP6 159 1.020 -132.531 -38.695 85.356 -99.200 -91.000 PHE 166 1.000 -132.096 -42.819 81.565 -99.200 -91.000 TYR 194 0.840 -133.164 -19.892 90.349 -99.200 -91.000 TYR 207 0.840 -143.089 -21.033 92.327 -99.200 -91.000 PHE 210 1.000 -153.274 -21.665 96.855 -99.200 -91.000 PHE 213 1.000 -148.778 -34.289 101.363 -99.200 -91.000 TYR 216 0.840 -140.779 -28.681 107.907 -99.200 -91.000 TRP 218 1.040 -129.795 -26.684 106.905 -99.200 -91.000 TRP6 218 1.020 -130.437 -27.876 108.844 -99.200 -91.000 TRP 226 1.040 -126.665 -22.733 109.193 -99.200 -91.000 TRP6 226 1.020 -127.467 -22.120 107.056 -99.200 -91.000 TRP 228 1.040 -134.895 -29.815 108.529 -99.200 -91.000 TRP6 228 1.020 -134.300 -29.648 106.245 -99.200 -91.000