============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 -0.304 -18.956 -30.598 -99.200 -91.000 PHE 29 1.000 -1.727 -24.710 -33.250 -99.200 -91.000 TYR 32 0.840 -2.778 -19.896 -25.607 -99.200 -91.000 TRP 36 1.040 -11.002 -22.437 -38.707 -99.200 -91.000 TRP6 36 1.020 -9.769 -21.177 -40.297 -99.200 -91.000 TRP 47 1.040 -17.526 -20.362 -32.845 -99.200 -91.000 TRP6 47 1.020 -19.003 -22.169 -32.473 -99.200 -91.000 PHE 50 1.000 -12.578 -24.338 -28.639 -99.200 -91.000 TYR 56 0.840 -8.065 -34.998 -24.630 -99.200 -91.000 TYR 59 0.840 -17.469 -26.973 -27.619 -99.200 -91.000 TYR 60 0.840 -17.435 -29.295 -36.321 -99.200 -91.000 PHE 68 1.000 -17.964 -25.195 -43.357 -99.200 -91.000 TYR 80 0.840 -4.134 -28.817 -41.276 -99.200 -91.000 TYR 94 0.840 -15.334 -19.312 -44.317 -99.200 -91.000 TYR 95 0.840 -11.925 -12.265 -40.133 -99.200 -91.000 TRP 101 1.040 -7.380 -22.501 -22.863 -99.200 -91.000 TRP6 101 1.020 -8.868 -24.102 -23.764 -99.200 -91.000 TYR 106 0.840 -2.888 -11.384 -29.597 -99.200 -91.000 TRP 107 1.040 -10.293 -12.375 -33.554 -99.200 -91.000 TRP6 107 1.020 -12.453 -12.615 -34.475 -99.200 -91.000 PHE 126 1.000 -7.070 -0.249 -68.956 -99.200 -91.000 TYR 149 0.840 -10.930 -7.009 -59.079 -99.200 -91.000 PHE 150 1.000 -16.259 -13.657 -59.586 -99.200 -91.000 TRP 158 1.040 -1.108 4.528 -55.086 -99.200 -91.000 TRP6 158 1.020 -0.957 5.295 -57.324 -99.200 -91.000 HIS 168 0.900 -8.959 9.145 -49.768 -99.200 -91.000 PHE 170 1.000 -12.395 6.171 -54.282 -99.200 -91.000 TYR 180 0.840 -16.200 -8.181 -57.399 -99.200 -91.000 TYR 198 0.840 3.775 10.846 -57.548 -99.200 -91.000 HIS 204 0.900 -7.572 -11.056 -59.391 -99.200 -91.000