============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 4 1.000 28.875 -22.755 -4.150 -99.200 -91.000 PHE 33 1.000 45.522 -12.198 -23.445 -99.200 -91.000 TYR 42 0.840 52.578 -13.370 -29.242 -99.200 -91.000 TYR 53 0.840 46.508 -27.812 -10.756 -99.200 -91.000 PHE 80 1.000 37.136 -15.734 -30.716 -99.200 -91.000 PHE 81 1.000 40.449 -23.671 -27.925 -99.200 -91.000 TYR 82 0.840 47.513 -19.871 -28.186 -99.200 -91.000 PHE 83 1.000 46.382 -14.759 -29.495 -99.200 -91.000 PHE 84 1.000 36.229 -16.597 -25.318 -99.200 -91.000 HIS 86 0.900 47.082 -19.426 -23.618 -99.200 -91.000 PHE 87 1.000 40.573 -11.361 -21.111 -99.200 -91.000 PHE 89 1.000 43.443 -21.649 -19.645 -99.200 -91.000 TYR 90 0.840 46.075 -11.031 -18.361 -99.200 -91.000 TYR 98 0.840 44.616 -10.295 -4.549 -99.200 -91.000 PHE 102 1.000 38.044 -16.336 -10.693 -99.200 -91.000 PHE 106 1.000 25.645 -20.840 -22.210 -99.200 -91.000 PHE 108 1.000 29.434 -11.162 -21.196 -99.200 -91.000 TYR 109 0.840 32.766 -17.765 -21.032 -99.200 -91.000 TYR 112 0.840 32.536 -14.852 -29.631 -99.200 -91.000 PHE 124 1.000 32.198 -23.294 -14.979 -99.200 -91.000 TYR 126 0.840 44.007 -22.569 -15.226 -99.200 -91.000 TYR 128 0.840 36.479 -30.489 -10.084 -99.200 -91.000 TYR 150 0.840 19.021 -24.894 -19.924 -99.200 -91.000 PHE 153 1.000 26.739 -26.305 -20.488 -99.200 -91.000 PHE 155 1.000 24.427 -27.591 -10.874 -99.200 -91.000 TYR 157 0.840 30.881 -30.678 -21.292 -99.200 -91.000 TYR 168 0.840 6.816 -14.524 -14.042 -99.200 -91.000 TYR 179 0.840 16.565 -35.289 -5.322 -99.200 -91.000 TYR 186 0.840 20.462 -34.353 -2.270 -99.200 -91.000 TYR 187 0.840 24.145 -31.525 -8.947 -99.200 -91.000 PHE 190 1.000 24.413 -17.976 -5.108 -99.200 -91.000 PHE 203 1.000 7.110 -7.180 -15.542 -99.200 -91.000 TYR 215 0.840 11.989 -7.374 -2.402 -99.200 -91.000 TYR 228 0.840 9.601 -31.425 -2.079 -99.200 -91.000 PHE 237 1.000 24.330 -21.784 -1.269 -99.200 -91.000 PHE 240 1.000 16.727 -15.644 -0.846 -99.200 -91.000 TYR 247 0.840 22.693 0.871 -2.203 -99.200 -91.000 TYR 252 0.840 11.494 -7.474 3.854 -99.200 -91.000 TYR 256 0.840 12.087 -8.269 8.095 -99.200 -91.000 PHE 257 1.000 13.429 -14.543 3.268 -99.200 -91.000 TYR 261 0.840 24.823 -20.038 2.092 -99.200 -91.000 HIS 275 0.900 30.880 1.237 4.484 -99.200 -91.000 TYR 282 0.840 29.045 -8.596 8.822 -99.200 -91.000 HIS 283 0.900 25.449 -14.776 8.452 -99.200 -91.000 TYR 286 0.840 34.127 -12.998 5.777 -99.200 -91.000 TYR 302 0.840 47.365 -0.558 -15.331 -99.200 -91.000 TYR 310 0.840 36.526 -3.424 -6.913 -99.200 -91.000 TYR 311 0.840 41.906 -10.436 -0.142 -99.200 -91.000