============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 7 0.840 60.332 80.616 60.556 -99.200 -91.000 HIS 8 0.900 59.621 83.343 51.861 -99.200 -91.000 HIS 28 0.900 57.316 78.962 48.524 -99.200 -91.000 HIS 37 0.900 36.326 67.038 32.989 -99.200 -91.000 TRP 60 1.040 30.561 50.228 13.057 -99.200 -91.000 TRP6 60 1.020 32.374 49.391 14.316 -99.200 -91.000 TRP 76 1.040 38.046 51.755 16.546 -99.200 -91.000 TRP6 76 1.020 37.446 50.604 14.575 -99.200 -91.000 TYR 78 0.840 38.402 57.037 22.928 -99.200 -91.000 TYR 91 0.840 13.571 39.965 12.896 -99.200 -91.000 PHE 95 1.000 26.179 41.028 17.937 -99.200 -91.000 TYR 98 0.840 26.707 43.868 21.694 -99.200 -91.000 PHE 111 1.000 36.289 47.463 11.015 -99.200 -91.000 PHE 114 1.000 36.139 40.875 3.151 -99.200 -91.000 PHE 117 1.000 29.980 33.899 2.102 -99.200 -91.000 TRP 123 1.040 23.627 34.025 -0.943 -99.200 -91.000 TRP6 123 1.020 25.032 32.491 0.173 -99.200 -91.000 HIS 126 0.900 18.753 28.873 -1.710 -99.200 -91.000 TYR 137 0.840 17.716 54.169 4.311 -99.200 -91.000 PHE 138 1.000 15.559 58.832 5.132 -99.200 -91.000 PHE 143 1.000 17.980 41.557 7.546 -99.200 -91.000 TYR 144 0.840 20.256 43.699 11.395 -99.200 -91.000 TRP 149 1.040 15.386 36.749 6.315 -99.200 -91.000 TRP6 149 1.020 13.875 38.014 7.623 -99.200 -91.000 TYR 157 0.840 16.328 27.951 2.148 -99.200 -91.000 TYR 164 0.840 36.661 35.269 2.690 -99.200 -91.000 TRP 176 1.040 26.589 32.833 11.536 -99.200 -91.000 TRP6 176 1.020 28.782 32.635 12.389 -99.200 -91.000 HIS 179 0.900 13.318 34.247 11.104 -99.200 -91.000 HIS 180 0.900 16.632 30.561 16.229 -99.200 -91.000 TYR 191 0.840 13.785 30.585 6.891 -99.200 -91.000 TYR 197 0.840 21.712 21.178 7.683 -99.200 -91.000 TYR 205 0.840 32.008 29.046 14.928 -99.200 -91.000 PHE 209 1.000 24.638 28.137 14.931 -99.200 -91.000 TYR 228 0.840 21.154 39.762 15.044 -99.200 -91.000 TYR 229 0.840 24.741 32.322 16.550 -99.200 -91.000 TRP 230 1.040 31.090 37.604 17.843 -99.200 -91.000 TRP6 230 1.020 33.371 37.482 18.449 -99.200 -91.000 PHE 241 1.000 28.851 31.270 7.077 -99.200 -91.000 TRP 251 1.040 25.776 41.802 0.664 -99.200 -91.000 TRP6 251 1.020 23.956 43.284 0.492 -99.200 -91.000 TYR 252 0.840 29.040 44.937 1.582 -99.200 -91.000 PHE 254 1.000 32.535 45.038 9.259 -99.200 -91.000 HIS 272 0.900 35.470 70.215 20.496 -99.200 -91.000 HIS 282 0.900 32.402 63.011 34.311 -99.200 -91.000 PHE 291 1.000 48.190 59.213 44.500 -99.200 -91.000 HIS 295 0.900 33.949 58.089 35.047 -99.200 -91.000 TYR 305 0.840 37.942 57.196 41.251 -99.200 -91.000