============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 2 0.840 4.179 17.523 25.517 -99.200 -91.000 PHE 13 1.000 13.694 15.252 27.579 -99.200 -91.000 TRP 17 1.040 18.042 20.165 32.945 -99.200 -91.000 TRP6 17 1.020 17.294 22.170 31.955 -99.200 -91.000 HIS 18 0.900 14.347 22.402 38.140 -99.200 -91.000 PHE 22 1.000 13.863 26.761 31.253 -99.200 -91.000 PHE 25 1.000 18.611 29.468 28.644 -99.200 -91.000 PHE 28 1.000 20.398 36.453 25.812 -99.200 -91.000 TYR 37 0.840 22.178 29.141 13.735 -99.200 -91.000 PHE 41 1.000 16.022 28.704 15.028 -99.200 -91.000 PHE 44 1.000 10.354 24.921 11.561 -99.200 -91.000 PHE 52 1.000 -5.482 31.159 3.036 -99.200 -91.000 HIS 53 0.900 -1.575 26.718 6.459 -99.200 -91.000 TYR 56 0.840 0.137 22.100 11.345 -99.200 -91.000 TYR 57 0.840 -4.022 24.751 13.157 -99.200 -91.000 TYR 58 0.840 -8.330 14.437 10.582 -99.200 -91.000 TYR 73 0.840 8.034 26.441 28.840 -99.200 -91.000 TYR 75 0.840 5.911 24.325 35.139 -99.200 -91.000 PHE 82 1.000 12.749 25.450 26.305 -99.200 -91.000 TYR 96 0.840 0.759 19.685 7.371 -99.200 -91.000 TYR 99 0.840 12.659 11.227 8.279 -99.200 -91.000 PHE 114 1.000 23.969 20.675 19.173 -99.200 -91.000 TYR 126 0.840 35.303 22.525 35.449 -99.200 -91.000 HIS 138 0.900 45.772 12.254 26.369 -99.200 -91.000 TYR 139 0.840 38.789 10.811 28.286 -99.200 -91.000 PHE 174 1.000 29.931 9.433 11.307 -99.200 -91.000 TYR 185 0.840 26.545 16.716 4.302 -99.200 -91.000 TYR 186 0.840 28.825 20.656 1.827 -99.200 -91.000 HIS 190 0.900 20.237 24.580 6.278 -99.200 -91.000 TYR 206 0.840 36.189 23.339 19.328 -99.200 -91.000 TYR 210 0.840 28.981 20.703 28.365 -99.200 -91.000 PHE 212 1.000 36.023 17.973 22.109 -99.200 -91.000 PHE 219 1.000 29.893 11.622 16.529 -99.200 -91.000 HIS 223 0.900 21.536 10.321 14.556 -99.200 -91.000 PHE 225 1.000 22.847 13.918 2.871 -99.200 -91.000 TYR 233 0.840 19.362 7.894 11.911 -99.200 -91.000 TYR 242 0.840 33.545 4.758 23.022 -99.200 -91.000 PHE 243 1.000 31.905 13.626 22.623 -99.200 -91.000 TYR 245 0.840 31.715 4.506 28.916 -99.200 -91.000 PHE 251 1.000 36.770 16.009 29.993 -99.200 -91.000 PHE 252 1.000 32.475 17.298 32.317 -99.200 -91.000 PHE 268 1.000 33.773 27.227 36.410 -99.200 -91.000 PHE 271 1.000 32.065 38.139 27.017 -99.200 -91.000 PHE 273 1.000 29.912 30.393 32.420 -99.200 -91.000 TYR 276 0.840 19.682 33.383 32.237 -99.200 -91.000