============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 6 0.900 30.061 4.598 18.149 -99.200 -91.000 PHE 17 1.000 19.932 22.696 29.869 -99.200 -91.000 TRP 29 1.040 26.944 17.498 18.315 -99.200 -91.000 TRP6 29 1.020 27.043 15.212 18.916 -99.200 -91.000 TYR 38 0.840 12.280 12.765 26.782 -99.200 -91.000 TYR 40 0.840 14.796 14.138 33.215 -99.200 -91.000 TYR 52 0.840 18.100 26.058 41.151 -99.200 -91.000 TYR 62 0.840 19.990 26.968 24.395 -99.200 -91.000 PHE 89 1.000 31.048 15.793 58.056 -99.200 -91.000 HIS 90 0.900 37.004 11.452 53.211 -99.200 -91.000 TYR 98 0.840 34.838 18.296 50.775 -99.200 -91.000 PHE 99 1.000 32.201 20.541 57.937 -99.200 -91.000 TRP 125 1.040 22.867 11.145 33.170 -99.200 -91.000 TRP6 125 1.020 23.642 10.626 35.347 -99.200 -91.000 TYR 131 0.840 40.690 11.617 30.815 -99.200 -91.000 PHE 139 1.000 26.920 12.811 38.787 -99.200 -91.000 TYR 140 0.840 29.418 2.628 35.458 -99.200 -91.000 TYR 142 0.840 25.853 7.723 44.750 -99.200 -91.000 TYR 153 0.840 26.584 9.997 23.747 -99.200 -91.000 TRP 156 1.040 33.835 12.366 28.537 -99.200 -91.000 TRP6 156 1.020 34.788 10.261 29.083 -99.200 -91.000 PHE 161 1.000 30.192 16.342 22.879 -99.200 -91.000 HIS 169 0.900 36.778 29.853 19.563 -99.200 -91.000 PHE 174 1.000 26.525 22.781 17.830 -99.200 -91.000 PHE 180 1.000 19.259 28.690 19.768 -99.200 -91.000 TYR 182 0.840 25.582 30.213 26.007 -99.200 -91.000 TYR 190 0.840 37.746 30.717 41.929 -99.200 -91.000 HIS 201 0.900 34.898 28.217 45.459 -99.200 -91.000 TYR 208 0.840 49.746 26.214 38.701 -99.200 -91.000 PHE 224 1.000 37.880 33.514 56.363 -99.200 -91.000 TRP 225 1.040 41.025 36.728 52.271 -99.200 -91.000 TRP6 225 1.020 39.315 35.195 51.722 -99.200 -91.000 PHE 240 1.000 22.397 19.686 66.904 -99.200 -91.000 HIS 244 0.900 15.988 16.945 62.238 -99.200 -91.000 PHE 253 1.000 15.064 27.824 61.378 -99.200 -91.000 HIS 270 0.900 30.261 35.870 62.359 -99.200 -91.000 TYR 291 0.840 37.142 21.314 49.330 -99.200 -91.000 HIS 300 0.900 32.080 18.796 62.749 -99.200 -91.000 TYR 303 0.840 25.919 15.166 66.316 -99.200 -91.000 HIS 311 0.900 26.394 9.221 73.149 -99.200 -91.000 TYR 319 0.840 31.096 11.588 65.976 -99.200 -91.000 HIS 320 0.900 36.023 11.848 67.163 -99.200 -91.000 HIS 322 0.900 32.332 2.177 64.139 -99.200 -91.000 TYR 331 0.840 36.675 12.119 47.988 -99.200 -91.000 TRP 335 1.040 24.951 8.773 51.812 -99.200 -91.000 TRP6 335 1.020 26.048 9.205 53.865 -99.200 -91.000 PHE 336 1.000 22.082 6.481 48.820 -99.200 -91.000 TRP 350 1.040 22.229 1.773 68.561 -99.200 -91.000 TRP6 350 1.020 20.864 0.962 70.322 -99.200 -91.000 TYR 369 0.840 34.541 27.539 67.036 -99.200 -91.000 TYR 381 0.840 31.174 18.936 83.254 -99.200 -91.000 PHE 395 1.000 35.850 8.892 92.807 -99.200 -91.000 PHE 419 1.000 63.616 -4.107 83.679 -99.200 -91.000 TYR 421 0.840 58.944 -4.348 73.720 -99.200 -91.000