============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 -28.996 -31.258 26.057 -99.200 -91.000 HIS 7 0.900 -35.118 -40.529 27.413 -99.200 -91.000 PHE 9 1.000 -38.715 -41.631 29.895 -99.200 -91.000 PHE 14 1.000 -32.450 -31.885 31.085 -99.200 -91.000 PHE 23 1.000 -25.230 -28.963 16.090 -99.200 -91.000 PHE 35 1.000 -16.382 -27.459 0.284 -99.200 -91.000 PHE 49 1.000 -14.167 -27.232 -13.067 -99.200 -91.000 PHE 64 1.000 -25.873 -36.932 -3.722 -99.200 -91.000 HIS 73 0.900 -19.420 -50.881 4.247 -99.200 -91.000 HIS 102 0.900 -13.750 -33.429 -2.012 -99.200 -91.000 PHE 103 1.000 -8.480 -29.928 -9.507 -99.200 -91.000 HIS 132 0.900 -39.180 -13.442 23.662 -99.200 -91.000 HIS 146 0.900 -41.018 -0.250 40.995 -99.200 -91.000 TYR 152 0.840 -30.850 -14.069 52.089 -99.200 -91.000 TRP 170 1.040 -31.030 -12.776 38.141 -99.200 -91.000 TRP6 170 1.020 -33.230 -12.554 38.944 -99.200 -91.000 HIS 177 0.900 -22.808 -13.450 28.615 -99.200 -91.000 PHE 184 1.000 -17.287 -16.821 16.906 -99.200 -91.000 PHE 189 1.000 -20.848 -18.410 13.301 -99.200 -91.000 PHE 193 1.000 -10.890 -24.440 -1.370 -99.200 -91.000 TRP 226 1.040 -10.631 -22.360 9.598 -99.200 -91.000 TRP6 226 1.020 -12.291 -23.620 10.745 -99.200 -91.000 HIS 227 0.900 -7.238 -28.155 6.328 -99.200 -91.000 PHE 236 1.000 -20.551 -20.588 18.473 -99.200 -91.000 PHE 250 1.000 -33.608 -16.216 35.818 -99.200 -91.000 PHE 283 1.000 -23.578 -31.104 29.035 -99.200 -91.000 HIS 292 0.900 -10.418 -23.383 26.074 -99.200 -91.000 TRP 306 1.040 -11.884 -32.261 12.586 -99.200 -91.000 TRP6 306 1.020 -11.967 -33.597 10.644 -99.200 -91.000 TRP 310 1.040 -15.845 -34.436 14.213 -99.200 -91.000 TRP6 310 1.020 -15.402 -36.339 12.900 -99.200 -91.000