============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 17 1.000 21.710 64.417 52.024 -99.200 -91.000 PHE 23 1.000 8.738 57.529 50.216 -99.200 -91.000 TYR 27 0.840 14.551 45.790 43.222 -99.200 -91.000 HIS 36 0.900 23.185 57.429 55.389 -99.200 -91.000 PHE 43 1.000 27.524 69.731 46.731 -99.200 -91.000 HIS 44 0.900 31.156 75.958 43.407 -99.200 -91.000 PHE 55 1.000 34.168 62.156 26.689 -99.200 -91.000 PHE 58 1.000 38.787 64.280 28.297 -99.200 -91.000 HIS 64 0.900 40.222 59.499 28.013 -99.200 -91.000 PHE 71 1.000 35.766 44.459 26.002 -99.200 -91.000 PHE 77 1.000 16.356 48.685 24.679 -99.200 -91.000 HIS 78 0.900 15.545 44.891 21.812 -99.200 -91.000 TRP 97 1.040 17.359 44.481 28.521 -99.200 -91.000 TRP6 97 1.020 16.298 42.698 29.657 -99.200 -91.000 TRP 98 1.040 21.517 46.595 28.514 -99.200 -91.000 TRP6 98 1.020 21.940 48.754 27.613 -99.200 -91.000 HIS 105 0.900 33.512 55.434 19.059 -99.200 -91.000 TRP 106 1.040 33.560 59.817 22.462 -99.200 -91.000 TRP6 106 1.020 33.306 61.978 21.514 -99.200 -91.000 HIS 122 0.900 20.079 64.225 22.490 -99.200 -91.000 HIS 126 0.900 27.937 53.430 23.902 -99.200 -91.000 TRP 129 1.040 34.353 56.184 38.662 -99.200 -91.000 TRP6 129 1.020 36.618 56.292 39.331 -99.200 -91.000 TYR 135 0.840 34.458 66.735 30.587 -99.200 -91.000 TRP 138 1.040 40.905 69.308 28.963 -99.200 -91.000 TRP6 138 1.020 38.709 69.892 28.317 -99.200 -91.000 TRP 149 1.040 24.055 62.227 41.191 -99.200 -91.000 TRP6 149 1.020 21.831 61.423 41.338 -99.200 -91.000 TYR 151 0.840 22.378 69.461 49.581 -99.200 -91.000 TYR 162 0.840 9.332 59.253 41.971 -99.200 -91.000 TRP 164 1.040 8.898 64.872 40.433 -99.200 -91.000 TRP6 164 1.020 10.470 63.832 39.020 -99.200 -91.000 TRP 174 1.040 5.229 60.459 31.513 -99.200 -91.000 TRP6 174 1.020 6.375 58.988 32.961 -99.200 -91.000 TRP 179 1.040 10.065 51.232 27.946 -99.200 -91.000 TRP6 179 1.020 11.509 50.678 26.154 -99.200 -91.000 PHE 183 1.000 13.122 47.024 29.332 -99.200 -91.000 HIS 185 0.900 9.992 42.426 23.360 -99.200 -91.000 HIS 193 0.900 13.002 63.893 24.529 -99.200 -91.000 TYR 202 0.840 11.460 65.653 30.258 -99.200 -91.000 HIS 207 0.900 19.525 71.956 46.280 -99.200 -91.000 TRP 210 1.040 18.377 72.273 33.837 -99.200 -91.000 TRP6 210 1.020 16.418 72.969 32.711 -99.200 -91.000 TRP 217 1.040 21.574 53.832 34.830 -99.200 -91.000 TRP6 217 1.020 21.087 53.483 37.121 -99.200 -91.000 TRP 219 1.040 30.324 56.168 35.035 -99.200 -91.000 TRP6 219 1.020 30.666 54.041 36.014 -99.200 -91.000 TRP 223 1.040 36.529 52.040 45.480 -99.200 -91.000 TRP6 223 1.020 36.649 50.911 43.405 -99.200 -91.000 PHE 224 1.000 26.489 49.047 45.800 -99.200 -91.000 TYR 228 0.840 30.211 54.668 53.010 -99.200 -91.000 TYR 229 0.840 23.012 54.700 51.681 -99.200 -91.000 HIS 238 0.900 35.252 62.164 49.813 -99.200 -91.000 TYR 253 0.840 17.986 55.665 26.449 -99.200 -91.000 HIS 256 0.900 7.515 49.665 32.181 -99.200 -91.000 TYR 259 0.840 14.457 47.089 33.281 -99.200 -91.000 TYR 263 0.840 11.386 55.452 37.695 -99.200 -91.000 PHE 282 1.000 31.361 62.558 32.605 -99.200 -91.000