============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TYR 6 0.840 -8.462 12.706 88.015 -99.200 -91.000 PHE 10 1.000 1.937 8.704 75.118 -99.200 -91.000 PHE 16 1.000 4.287 16.836 84.456 -99.200 -91.000 PHE 18 1.000 -0.363 13.982 74.585 -99.200 -91.000 TRP 20 1.040 5.119 21.290 80.416 -99.200 -91.000 TRP6 20 1.020 7.333 20.748 81.001 -99.200 -91.000 PHE 34 1.000 -5.098 13.839 72.716 -99.200 -91.000 TYR 35 0.840 -0.757 13.238 62.400 -99.200 -91.000 TRP 48 1.040 8.436 13.060 73.334 -99.200 -91.000 TRP6 48 1.020 6.348 13.280 74.454 -99.200 -91.000 PHE 52 1.000 5.692 15.970 70.573 -99.200 -91.000 HIS 55 0.900 3.118 18.739 63.911 -99.200 -91.000 TYR 58 0.840 2.338 19.874 58.614 -99.200 -91.000 TYR 71 0.840 -2.459 34.694 54.309 -99.200 -91.000 HIS 77 0.900 -0.734 28.833 65.209 -99.200 -91.000 TYR 79 0.840 8.958 30.987 61.389 -99.200 -91.000 PHE 80 1.000 5.342 32.414 69.541 -99.200 -91.000 PHE 84 1.000 7.017 27.062 73.023 -99.200 -91.000 PHE 92 1.000 10.123 12.389 77.704 -99.200 -91.000 PHE 100 1.000 19.933 18.670 74.720 -99.200 -91.000 PHE 103 1.000 18.461 24.805 74.379 -99.200 -91.000 PHE 109 1.000 10.526 32.363 72.368 -99.200 -91.000 PHE 126 1.000 26.493 33.638 88.676 -99.200 -91.000 TYR 134 0.840 14.071 34.086 74.878 -99.200 -91.000 PHE 160 1.000 6.485 34.124 75.215 -99.200 -91.000 TYR 161 0.840 5.439 27.072 78.163 -99.200 -91.000 TYR 164 0.840 1.731 36.247 75.325 -99.200 -91.000 TRP 167 1.040 4.020 42.479 76.664 -99.200 -91.000 TRP6 167 1.020 5.360 44.319 77.297 -99.200 -91.000 HIS 169 0.900 -2.506 39.569 83.517 -99.200 -91.000 TYR 171 0.840 2.836 42.736 87.242 -99.200 -91.000 HIS 189 0.900 28.232 21.473 84.318 -99.200 -91.000 PHE 190 1.000 20.337 22.041 87.889 -99.200 -91.000 TRP 204 1.040 22.029 42.767 82.840 -99.200 -91.000 TRP6 204 1.020 19.870 42.471 82.066 -99.200 -91.000 TYR 205 0.840 14.769 45.044 85.517 -99.200 -91.000 PHE 217 1.000 5.785 28.769 87.486 -99.200 -91.000 TYR 222 0.840 17.084 24.410 97.328 -99.200 -91.000 PHE 223 1.000 17.306 25.985 91.294 -99.200 -91.000 TRP 237 1.040 9.090 32.805 96.833 -99.200 -91.000 TRP6 237 1.020 9.202 31.502 98.813 -99.200 -91.000 TYR 244 0.840 11.278 23.449 104.540 -99.200 -91.000 PHE 250 1.000 17.419 15.805 94.032 -99.200 -91.000 PHE 254 1.000 15.089 10.757 92.598 -99.200 -91.000 TYR 268 0.840 16.359 15.627 85.879 -99.200 -91.000 TRP 270 1.040 24.570 18.125 79.121 -99.200 -91.000 TRP6 270 1.020 22.956 19.811 78.758 -99.200 -91.000 PHE 272 1.000 21.970 18.015 89.737 -99.200 -91.000 PHE 277 1.000 18.984 11.764 89.182 -99.200 -91.000 TYR 293 0.840 11.090 26.928 107.598 -99.200 -91.000 PHE 302 1.000 4.497 29.751 100.083 -99.200 -91.000 TYR 319 0.840 -1.180 29.166 105.059 -99.200 -91.000 PHE 322 1.000 7.026 32.264 104.595 -99.200 -91.000 PHE 334 1.000 -4.136 26.489 91.314 -99.200 -91.000 HIS 343 0.900 5.859 20.113 89.944 -99.200 -91.000 PHE 349 1.000 1.251 26.013 81.719 -99.200 -91.000 HIS 352 0.900 -0.652 32.099 82.652 -99.200 -91.000 TYR 353 0.840 -8.179 34.457 84.096 -99.200 -91.000 PHE 356 1.000 0.577 37.679 85.896 -99.200 -91.000 TRP 358 1.040 -1.004 37.001 96.379 -99.200 -91.000 TRP6 358 1.020 1.318 37.228 96.015 -99.200 -91.000 HIS 361 0.900 -4.892 42.971 97.875 -99.200 -91.000 PHE 363 1.000 4.793 43.915 93.419 -99.200 -91.000