============================================================================= 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. TYR 13 0.840 -6.045 32.508 74.427 -99.200 -91.000 TYR 16 0.840 -10.259 25.782 87.796 -99.200 -91.000 TYR 24 0.840 -14.849 15.408 91.033 -99.200 -91.000 PHE 29 1.000 -9.501 22.389 83.173 -99.200 -91.000 TYR 32 0.840 -9.377 29.994 70.048 -99.200 -91.000 PHE 46 1.000 -6.761 14.545 69.617 -99.200 -91.000 TYR 48 0.840 -10.035 16.359 74.439 -99.200 -91.000 TYR 58 0.840 1.553 30.699 79.083 -99.200 -91.000 TRP 67 1.040 13.928 24.464 77.277 -99.200 -91.000 TRP6 67 1.020 12.815 26.391 76.477 -99.200 -91.000 HIS 77 0.900 8.558 11.763 74.527 -99.200 -91.000 TYR 90 0.840 16.632 30.600 67.383 -99.200 -91.000 PHE 98 1.000 5.615 26.127 69.594 -99.200 -91.000 PHE 102 1.000 -3.915 28.021 68.827 -99.200 -91.000 TYR 111 0.840 -0.471 55.201 78.751 -99.200 -91.000 TYR 131 0.840 8.982 51.740 78.648 -99.200 -91.000 PHE 142 1.000 10.619 42.007 69.916 -99.200 -91.000 PHE 143 1.000 9.953 45.179 74.165 -99.200 -91.000 TYR 151 0.840 11.147 47.481 69.025 -99.200 -91.000 TRP 155 1.040 16.625 43.935 78.237 -99.200 -91.000 TRP6 155 1.020 15.001 42.824 79.556 -99.200 -91.000 PHE 157 1.000 11.477 52.635 82.335 -99.200 -91.000 TYR 182 0.840 3.338 48.994 83.964 -99.200 -91.000 TYR 193 0.840 -11.132 38.226 77.183 -99.200 -91.000 TYR 213 0.840 -1.112 33.134 71.340 -99.200 -91.000 TYR 223 0.840 -1.291 11.898 68.049 -99.200 -91.000 HIS 241 0.900 -13.963 35.655 61.663 -99.200 -91.000 TRP 247 1.040 -14.585 30.713 73.403 -99.200 -91.000 TRP6 247 1.020 -15.555 30.287 75.545 -99.200 -91.000 TRP 248 1.040 -10.310 37.796 71.803 -99.200 -91.000 TRP6 248 1.020 -9.704 35.515 71.990 -99.200 -91.000