============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 18 0.840 42.587 58.098 -0.522 -99.200 -91.000 PHE 32 1.000 38.989 56.857 17.804 -99.200 -91.000 TYR 33 0.840 41.060 57.396 13.176 -99.200 -91.000 HIS 40 0.900 46.767 45.826 10.787 -99.200 -91.000 TYR 43 0.840 55.714 57.145 4.588 -99.200 -91.000 TYR 50 0.840 49.893 58.521 3.519 -99.200 -91.000 PHE 54 1.000 43.685 40.537 9.440 -99.200 -91.000 PHE 57 1.000 44.162 45.040 -4.067 -99.200 -91.000 HIS 59 0.900 50.419 53.626 0.754 -99.200 -91.000 HIS 60 0.900 46.251 55.806 1.032 -99.200 -91.000 PHE 77 1.000 33.287 57.610 -4.004 -99.200 -91.000 TYR 91 0.840 29.521 62.426 -15.083 -99.200 -91.000 TYR 92 0.840 32.553 64.932 -10.804 -99.200 -91.000 PHE 106 1.000 45.047 65.979 -5.857 -99.200 -91.000 PHE 122 1.000 29.354 66.139 0.763 -99.200 -91.000 TYR 124 0.840 32.017 62.370 -4.324 -99.200 -91.000 PHE 126 1.000 35.382 60.452 -9.060 -99.200 -91.000 PHE 127 1.000 42.494 55.512 -5.773 -99.200 -91.000 PHE 128 1.000 43.970 50.888 -12.445 -99.200 -91.000 HIS 132 0.900 48.427 46.196 -6.523 -99.200 -91.000 HIS 137 0.900 44.351 37.263 2.577 -99.200 -91.000 TYR 140 0.840 43.502 34.471 10.391 -99.200 -91.000 TYR 143 0.840 40.905 38.878 13.359 -99.200 -91.000 HIS 153 0.900 28.779 52.679 5.247 -99.200 -91.000 PHE 154 1.000 34.221 57.402 1.319 -99.200 -91.000 TYR 167 0.840 26.711 64.285 -8.036 -99.200 -91.000 PHE 173 1.000 28.316 56.242 -6.228 -99.200 -91.000 TYR 187 0.840 12.058 62.768 6.528 -99.200 -91.000 TRP 190 1.040 21.781 53.728 3.675 -99.200 -91.000 TRP6 190 1.020 19.873 54.835 4.544 -99.200 -91.000 HIS 192 0.900 25.257 48.371 -5.540 -99.200 -91.000 HIS 198 0.900 25.795 52.117 3.026 -99.200 -91.000 HIS 211 0.900 25.909 61.022 10.331 -99.200 -91.000 HIS 212 0.900 28.110 57.135 8.907 -99.200 -91.000 PHE 215 1.000 37.867 52.105 8.382 -99.200 -91.000 HIS 218 0.900 37.121 38.692 9.256 -99.200 -91.000 HIS 221 0.900 33.553 37.630 17.550 -99.200 -91.000 HIS 246 0.900 22.600 50.847 10.973 -99.200 -91.000 PHE 252 1.000 25.840 43.907 16.503 -99.200 -91.000 TYR 253 0.840 23.552 50.607 14.707 -99.200 -91.000 TYR 255 0.840 26.374 55.020 13.475 -99.200 -91.000 HIS 262 0.900 37.205 64.374 11.391 -99.200 -91.000 TYR 267 0.840 27.455 48.338 7.143 -99.200 -91.000 TYR 271 0.840 20.396 44.022 1.673 -99.200 -91.000 TYR 272 0.840 24.781 39.993 -5.208 -99.200 -91.000 TRP 283 1.040 13.597 50.631 5.782 -99.200 -91.000 TRP6 283 1.020 13.201 49.128 7.572 -99.200 -91.000 HIS 286 0.900 6.479 60.169 11.042 -99.200 -91.000 TRP 293 1.040 15.242 44.131 13.307 -99.200 -91.000 TRP6 293 1.020 13.502 44.515 11.748 -99.200 -91.000 TRP 294 1.040 18.009 44.697 17.909 -99.200 -91.000 TRP6 294 1.020 20.254 44.861 18.614 -99.200 -91.000 TRP 302 1.040 23.981 58.601 13.898 -99.200 -91.000 TRP6 302 1.020 22.719 58.628 11.893 -99.200 -91.000 TYR 303 0.840