============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 11 0.840 11.654 116.224 44.032 -99.200 -91.000 TRP 16 1.040 16.911 121.010 53.378 -99.200 -91.000 TRP6 16 1.020 18.570 119.338 53.572 -99.200 -91.000 HIS 29 0.900 15.766 119.505 72.610 -99.200 -91.000 TYR 38 0.840 24.190 112.515 70.302 -99.200 -91.000 TYR 55 0.840 14.646 91.999 47.351 -99.200 -91.000 TYR 59 0.840 21.597 83.455 56.397 -99.200 -91.000 TYR 64 0.840 16.818 81.078 48.214 -99.200 -91.000 PHE 65 1.000 16.638 87.945 45.129 -99.200 -91.000 TYR 70 0.840 31.952 92.962 43.723 -99.200 -91.000 PHE 86 1.000 29.303 91.954 71.386 -99.200 -91.000 TYR 90 0.840 24.549 81.805 64.389 -99.200 -91.000 HIS 96 0.900 14.937 93.752 57.906 -99.200 -91.000 PHE 103 1.000 8.514 86.389 64.727 -99.200 -91.000 TYR 106 0.840 10.210 85.206 72.246 -99.200 -91.000 HIS 123 0.900 8.642 94.198 89.229 -99.200 -91.000 HIS 126 0.900 11.807 95.379 74.177 -99.200 -91.000 HIS 129 0.900 13.150 91.045 77.281 -99.200 -91.000 PHE 135 1.000 7.438 88.890 68.930 -99.200 -91.000 TYR 140 0.840 6.142 81.958 71.583 -99.200 -91.000 TYR 145 0.840 12.933 87.237 85.321 -99.200 -91.000 HIS 152 0.900 19.824 95.282 93.733 -99.200 -91.000 TYR 155 0.840 20.231 86.391 90.121 -99.200 -91.000 HIS 165 0.900 4.724 78.663 86.925 -99.200 -91.000 PHE 174 1.000 19.427 94.896 81.971 -99.200 -91.000 TYR 177 0.840 18.352 94.761 87.453 -99.200 -91.000 TRP 183 1.040 25.210 87.974 81.716 -99.200 -91.000 TRP6 183 1.020 22.978 88.754 81.475 -99.200 -91.000 TYR 196 0.840 16.574 75.601 73.847 -99.200 -91.000 PHE 198 1.000 16.343 85.728 73.654 -99.200 -91.000 HIS 203 0.900 18.484 99.826 77.230 -99.200 -91.000 TYR 213 0.840 25.874 94.443 82.669 -99.200 -91.000 HIS 219 0.900 28.624 82.861 81.728 -99.200 -91.000 HIS 221 0.900 21.019 77.020 76.558 -99.200 -91.000 HIS 228 0.900 18.917 100.362 67.692 -99.200 -91.000 TYR 249 0.840 25.806 77.923 66.251 -99.200 -91.000 PHE 257 1.000 15.404 84.232 53.030 -99.200 -91.000 HIS 267 0.900 20.186 100.262 53.151 -99.200 -91.000 PHE 284 1.000 32.669 100.962 71.874 -99.200 -91.000 TYR 287 0.840 31.001 106.164 74.514 -99.200 -91.000 PHE 302 1.000 18.128 112.724 89.170 -99.200 -91.000 TYR 307 0.840 13.798 114.562 92.929 -99.200 -91.000 HIS 317 0.900 22.764 101.518 79.534 -99.200 -91.000 PHE 319 1.000 19.910 107.932 86.934 -99.200 -91.000 PHE 357 1.000 0.849 107.894 75.550 -99.200 -91.000 PHE 374 1.000 27.292 117.361 78.971 -99.200 -91.000 TRP 385 1.040 22.047 122.963 85.638 -99.200 -91.000 TRP6 385 1.020 23.228 122.765 83.600 -99.200 -91.000 TYR 413 0.840 31.210 119.930 77.090 -99.200 -91.000 TYR 416 0.840 26.593 113.531 64.540 -99.200 -91.000