============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.186 -9.523 21.398 -99.200 -91.000 TRP6 21 1.020 19.123 -8.363 20.666 -99.200 -91.000 TYR 40 0.840 15.389 -3.148 37.511 -99.200 -91.000 HIS 42 0.900 10.962 1.443 31.028 -99.200 -91.000 HIS 47 0.900 4.531 -11.806 18.499 -99.200 -91.000 TYR 49 0.840 12.771 -8.160 22.375 -99.200 -91.000 PHE 74 1.000 5.814 3.988 30.600 -99.200 -91.000 TRP 80 1.040 9.125 -8.643 13.370 -99.200 -91.000 TRP6 80 1.020 11.204 -7.685 14.004 -99.200 -91.000 TYR 83 0.840 2.644 -9.317 13.158 -99.200 -91.000 HIS 84 0.900 6.312 -1.590 9.875 -99.200 -91.000 TYR 104 0.840 -3.221 0.375 31.225 -99.200 -91.000 TYR 108 0.840 2.182 -2.074 19.968 -99.200 -91.000 HIS 111 0.900 11.314 -4.490 17.848 -99.200 -91.000 TRP 112 1.040 14.107 -3.123 14.143 -99.200 -91.000 TRP6 112 1.020 16.304 -2.285 13.908 -99.200 -91.000 PHE 116 1.000 11.731 -6.989 7.875 -99.200 -91.000 PHE 122 1.000 8.693 -13.623 14.832 -99.200 -91.000 PHE 123 1.000 14.636 -10.626 11.396 -99.200 -91.000 TRP 142 1.040 2.067 8.352 13.981 -99.200 -91.000 TRP6 142 1.020 3.427 7.466 15.702 -99.200 -91.000 PHE 162 1.000 10.386 5.143 12.749 -99.200 -91.000 HIS 164 0.900 18.071 14.177 10.165 -99.200 -91.000 TYR 178 0.840 -3.693 10.663 19.844 -99.200 -91.000 HIS 188 0.900 27.144 1.397 22.186 -99.200 -91.000 TYR 190 0.840 33.530 1.247 22.930 -99.200 -91.000 TYR 199 0.840 15.002 15.783 14.345 -99.200 -91.000 TYR 210 0.840 18.498 -0.547 20.408 -99.200 -91.000 TRP 220 1.040 25.169 -9.273 15.838 -99.200 -91.000 TRP6 220 1.020 22.826 -9.430 16.133 -99.200 -91.000 HIS 241 0.900 32.317 8.888 40.124 -99.200 -91.000 PHE 252 1.000 27.757 8.410 28.406 -99.200 -91.000 PHE 274 1.000 15.756 0.335 40.980 -99.200 -91.000 PHE 277 1.000 17.527 5.471 40.219 -99.200 -91.000 PHE 279 1.000 27.321 6.362 40.014 -99.200 -91.000 TYR 292 0.840 36.427 7.042 26.789 -99.200 -91.000 TRP 296 1.040 31.371 -1.738 17.247 -99.200 -91.000 TRP6 296 1.020 30.681 -2.637 19.326 -99.200 -91.000 HIS 307 0.900 12.306 -1.939 3.893 -99.200 -91.000 TYR 310 0.840 20.165 -0.366 6.919 -99.200 -91.000 PHE 312 1.000 20.401 1.715 12.073 -99.200 -91.000 HIS 313 0.900 21.815 2.458 3.412 -99.200 -91.000 PHE 316 1.000 21.230 14.217 12.202 -99.200 -91.000