============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 4 1.000 4.906 26.771 -9.295 -99.200 -91.000 PHE 24 1.000 0.428 41.998 -18.088 -99.200 -91.000 PHE 26 1.000 0.526 41.858 -24.549 -99.200 -91.000 TYR 33 0.840 -4.496 40.607 -20.695 -99.200 -91.000 PHE 49 1.000 -13.747 26.773 -30.938 -99.200 -91.000 PHE 58 1.000 -16.070 32.935 -13.548 -99.200 -91.000 PHE 61 1.000 -5.539 34.990 -24.061 -99.200 -91.000 HIS 65 0.900 -8.603 21.749 -29.698 -99.200 -91.000 HIS 67 0.900 -4.763 18.704 -33.036 -99.200 -91.000 TYR 68 0.840 -12.078 23.334 -31.458 -99.200 -91.000 TRP 73 1.040 -10.557 27.995 -34.895 -99.200 -91.000 TRP6 73 1.020 -10.022 29.661 -33.293 -99.200 -91.000 PHE 76 1.000 -15.811 30.271 -29.741 -99.200 -91.000 HIS 86 0.900 -8.859 39.232 -22.557 -99.200 -91.000 PHE 98 1.000 2.859 31.200 -41.517 -99.200 -91.000 TYR 113 0.840 -3.939 38.549 -27.067 -99.200 -91.000 TYR 122 0.840 16.280 26.527 -24.329 -99.200 -91.000 HIS 125 0.900 11.920 24.340 -38.086 -99.200 -91.000 PHE 126 1.000 9.324 28.317 -31.087 -99.200 -91.000 PHE 129 1.000 6.110 28.506 -37.408 -99.200 -91.000 PHE 137 1.000 -0.528 36.008 -39.414 -99.200 -91.000 HIS 140 0.900 -3.039 38.919 -35.935 -99.200 -91.000 TYR 184 0.840 16.566 26.099 -15.050 -99.200 -91.000 HIS 198 0.900 8.790 40.875 -15.867 -99.200 -91.000 HIS 203 0.900 4.330 41.995 -21.053 -99.200 -91.000 PHE 220 1.000 -0.793 35.269 -11.756 -99.200 -91.000 PHE 226 1.000 -0.567 37.166 -19.951 -99.200 -91.000 HIS 236 0.900 -12.905 21.578 -14.288 -99.200 -91.000 TYR 251 0.840 -12.559 7.187 -12.804 -99.200 -91.000 PHE 254 1.000 -4.624 16.934 -18.534 -99.200 -91.000 TYR 255 0.840 -5.487 13.115 -24.911 -99.200 -91.000 TYR 266 0.840 -5.452 15.245 -32.530 -99.200 -91.000 PHE 277 1.000 -17.970 15.412 -14.932 -99.200 -91.000 HIS 283 0.900 -17.197 24.907 -6.532 -99.200 -91.000 TYR 298 0.840 -3.678 34.883 4.565 -99.200 -91.000 PHE 313 1.000 8.142 33.099 -3.850 -99.200 -91.000