============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 4 1.000 -29.382 -19.919 14.379 -99.200 -91.000 PHE 28 1.000 -37.000 -22.944 30.614 -99.200 -91.000 PHE 30 1.000 -33.827 -26.648 34.751 -99.200 -91.000 TYR 37 0.840 -33.568 -20.155 34.162 -99.200 -91.000 PHE 53 1.000 -15.052 -16.739 38.760 -99.200 -91.000 PHE 62 1.000 -28.312 -5.868 31.639 -99.200 -91.000 PHE 65 1.000 -27.053 -20.627 34.029 -99.200 -91.000 HIS 69 0.900 -12.320 -19.712 32.613 -99.200 -91.000 HIS 71 0.900 -9.112 -24.291 31.106 -99.200 -91.000 TYR 72 0.840 -12.230 -17.829 36.268 -99.200 -91.000 TRP 77 1.040 -14.846 -21.628 40.260 -99.200 -91.000 TRP6 77 1.020 -17.127 -21.408 39.735 -99.200 -91.000 PHE 80 1.000 -18.260 -14.482 40.685 -99.200 -91.000 HIS 90 0.900 -30.568 -17.061 37.038 -99.200 -91.000 PHE 102 1.000 -16.742 -36.359 39.496 -99.200 -91.000 TYR 117 0.840 -28.944 -24.066 37.064 -99.200 -91.000 TYR 126 0.840 -23.899 -37.490 18.122 -99.200 -91.000 HIS 129 0.900 -15.217 -42.200 29.098 -99.200 -91.000 PHE 130 1.000 -21.140 -35.952 27.504 -99.200 -91.000 PHE 133 1.000 -17.931 -37.004 33.521 -99.200 -91.000 PHE 141 1.000 -21.486 -33.337 42.341 -99.200 -91.000 HIS 144 0.900 -25.266 -29.780 42.664 -99.200 -91.000 TYR 188 0.840 -28.739 -32.566 11.707 -99.200 -91.000 HIS 202 0.900 -38.960 -28.378 23.979 -99.200 -91.000 HIS 207 0.900 -36.575 -27.776 30.359 -99.200 -91.000 PHE 224 1.000 -34.147 -17.634 23.459 -99.200 -91.000 PHE 230 1.000 -31.813 -22.613 29.892 -99.200 -91.000 HIS 240 0.900 -18.776 -7.446 24.457 -99.200 -91.000 TYR 255 0.840 -7.363 -5.135 15.833 -99.200 -91.000 PHE 258 1.000 -14.450 -15.973 20.510 -99.200 -91.000 TYR 259 0.840 -8.001 -18.417 23.159 -99.200 -91.000 TYR 270 0.840 -6.356 -23.252 29.144 -99.200 -91.000 TYR 277 0.840 -4.379 -38.427 19.995 -99.200 -91.000 PHE 289 1.000 -12.262 -2.739 24.434 -99.200 -91.000 HIS 295 0.900 -24.407 -0.030 23.233 -99.200 -91.000 TYR 310 0.840 -41.300 -6.133 13.915 -99.200 -91.000 PHE 325 1.000 -38.143 -20.300 12.226 -99.200 -91.000