============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 15 0.840 12.438 70.369 26.854 -99.200 -91.000 TRP 18 1.040 6.530 61.696 18.321 -99.200 -91.000 TRP6 18 1.020 7.159 63.957 18.614 -99.200 -91.000 TYR 31 0.840 -3.218 68.752 15.568 -99.200 -91.000 PHE 54 1.000 6.915 71.373 19.440 -99.200 -91.000 TYR 65 0.840 -1.029 75.611 28.136 -99.200 -91.000 TRP 66 1.040 -5.531 67.527 28.838 -99.200 -91.000 TRP6 66 1.020 -6.120 69.281 30.305 -99.200 -91.000 TYR 67 0.840 1.616 70.369 25.113 -99.200 -91.000 TRP 68 1.040 -4.633 64.518 22.007 -99.200 -91.000 TRP6 68 1.020 -5.487 66.482 23.006 -99.200 -91.000 PHE 97 1.000 12.074 44.575 29.512 -99.200 -91.000 HIS 146 0.900 24.416 48.308 32.693 -99.200 -91.000 TRP 159 1.040 17.757 58.187 31.229 -99.200 -91.000 TRP6 159 1.020 17.457 58.004 28.889 -99.200 -91.000 HIS 182 0.900 16.875 68.603 33.898 -99.200 -91.000 TYR 188 0.840 17.858 63.176 43.618 -99.200 -91.000 HIS 198 0.900 30.494 52.410 22.487 -99.200 -91.000 PHE 211 1.000 19.410 61.354 24.284 -99.200 -91.000 HIS 217 0.900 22.666 66.596 30.139 -99.200 -91.000 TRP 221 1.040 29.801 57.481 22.731 -99.200 -91.000 TRP6 221 1.020 31.931 57.731 21.734 -99.200 -91.000 PHE 235 1.000 33.938 52.113 14.928 -99.200 -91.000 TYR 257 0.840 42.827 51.821 23.823 -99.200 -91.000 TYR 271 0.840 28.770 75.285 18.141 -99.200 -91.000 PHE 282 1.000 39.376 63.056 26.206 -99.200 -91.000 TYR 295 0.840 46.471 62.878 22.549 -99.200 -91.000 TRP 299 1.040 36.277 71.720 14.777 -99.200 -91.000 TRP6 299 1.020 33.929 71.589 14.992 -99.200 -91.000