============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 6 0.840 80.896 16.066 45.050 -99.200 -91.000 PHE 8 1.000 79.769 19.219 39.913 -99.200 -91.000 PHE 45 1.000 73.916 10.325 44.231 -99.200 -91.000 HIS 50 0.900 77.598 22.332 37.565 -99.200 -91.000 HIS 51 0.900 71.835 27.374 35.577 -99.200 -91.000 TYR 55 0.840 78.673 19.910 34.101 -99.200 -91.000 PHE 92 1.000 62.046 26.870 54.074 -99.200 -91.000 PHE 95 1.000 67.203 22.016 47.632 -99.200 -91.000 PHE 114 1.000 81.597 24.418 36.193 -99.200 -91.000 TYR 118 0.840 76.352 35.885 40.077 -99.200 -91.000 PHE 121 1.000 68.992 31.766 36.458 -99.200 -91.000 TYR 123 0.840 71.001 37.711 40.478 -99.200 -91.000 TYR 128 0.840 79.429 34.428 45.464 -99.200 -91.000 PHE 132 1.000 76.765 32.115 49.918 -99.200 -91.000 TRP 150 1.040 65.993 39.146 54.740 -99.200 -91.000 TRP6 150 1.020 66.334 40.069 52.582 -99.200 -91.000 HIS 155 0.900 64.192 38.117 47.986 -99.200 -91.000 TYR 164 0.840 52.424 28.792 54.898 -99.200 -91.000 TRP 175 1.040 75.755 20.287 55.601 -99.200 -91.000 TRP6 175 1.020 77.806 19.349 56.353 -99.200 -91.000 TYR 203 0.840 94.919 13.870 52.512 -99.200 -91.000 PHE 206 1.000 92.353 22.373 49.948 -99.200 -91.000 PHE 210 1.000 87.748 21.065 57.203 -99.200 -91.000 TYR 213 0.840 83.660 25.377 60.598 -99.200 -91.000 HIS 214 0.900 86.996 22.836 63.797 -99.200 -91.000 HIS 234 0.900 86.777 16.008 41.112 -99.200 -91.000 PHE 236 1.000 85.749 4.019 39.003 -99.200 -91.000 PHE 248 1.000 87.873 9.313 38.350 -99.200 -91.000 TYR 249 0.840 94.818 10.140 32.265 -99.200 -91.000 TRP 264 1.040 94.121 26.800 36.005 -99.200 -91.000 TRP6 264 1.020 92.807 24.967 36.684 -99.200 -91.000 HIS 271 0.900 97.858 17.168 38.190 -99.200 -91.000 PHE 272 1.000 94.497 9.238 37.282 -99.200 -91.000 PHE 283 1.000 90.445 11.154 49.594 -99.200 -91.000 HIS 298 0.900 87.908 11.304 61.523 -99.200 -91.000 PHE 301 1.000 91.349 17.516 55.522 -99.200 -91.000 PHE 306 1.000 85.645 10.647 51.290 -99.200 -91.000 HIS 315 0.900 74.247 3.660 34.958 -99.200 -91.000 TYR 324 0.840 81.732 5.840 48.777 -99.200 -91.000