============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 1 1.000 19.562 51.408 66.568 -99.200 -91.000 PHE 9 1.000 27.043 64.362 58.947 -99.200 -91.000 TRP 14 1.040 34.003 61.699 64.502 -99.200 -91.000 TRP6 14 1.020 33.901 62.492 66.720 -99.200 -91.000 TYR 20 0.840 31.338 61.178 48.842 -99.200 -91.000 TRP 24 1.040 23.738 67.760 56.625 -99.200 -91.000 TRP6 24 1.020 21.996 68.681 57.938 -99.200 -91.000 TYR 32 0.840 12.676 70.400 49.321 -99.200 -91.000 PHE 36 1.000 7.156 68.609 55.160 -99.200 -91.000 PHE 45 1.000 5.063 70.953 62.180 -99.200 -91.000 PHE 46 1.000 4.333 70.478 68.072 -99.200 -91.000 PHE 66 1.000 16.521 65.739 46.104 -99.200 -91.000 PHE 74 1.000 9.303 67.525 59.948 -99.200 -91.000 PHE 98 1.000 5.957 78.324 72.507 -99.200 -91.000 TYR 123 0.840 6.649 63.779 70.580 -99.200 -91.000 PHE 125 1.000 14.172 60.644 73.846 -99.200 -91.000 PHE 144 1.000 15.779 69.188 65.009 -99.200 -91.000 TRP 149 1.040 19.519 84.307 71.875 -99.200 -91.000 TRP6 149 1.020 18.334 85.830 73.219 -99.200 -91.000 TYR 154 0.840 11.495 80.404 67.703 -99.200 -91.000 TRP 170 1.040 11.923 88.410 79.145 -99.200 -91.000 TRP6 170 1.020 11.510 86.871 80.874 -99.200 -91.000 TYR 172 0.840 20.856 95.026 76.887 -99.200 -91.000 HIS 179 0.900 22.876 84.806 83.190 -99.200 -91.000 TYR 192 0.840 14.751 66.529 72.424 -99.200 -91.000 PHE 207 1.000 19.140 73.189 63.211 -99.200 -91.000 HIS 210 0.900 15.074 83.420 66.414 -99.200 -91.000 HIS 213 0.900 17.186 88.372 65.995 -99.200 -91.000 PHE 219 1.000 26.722 83.939 70.782 -99.200 -91.000 PHE 222 1.000 22.252 87.584 79.743 -99.200 -91.000 TYR 226 0.840 23.144 79.701 80.117 -99.200 -91.000 PHE 251 1.000 22.890 77.528 60.900 -99.200 -91.000 HIS 256 0.900 29.143 89.266 62.130 -99.200 -91.000 PHE 257 1.000 27.701 87.870 67.149 -99.200 -91.000 TYR 267 0.840 28.480 72.550 70.404 -99.200 -91.000 TRP 274 1.040 23.188 84.086 52.691 -99.200 -91.000 TRP6 274 1.020 21.436 83.816 54.241 -99.200 -91.000 TYR 301 0.840 14.190 81.135 45.095 -99.200 -91.000 PHE 318 1.000 33.002 76.471 53.064 -99.200 -91.000 HIS 321 0.900 42.826 68.841 53.100 -99.200 -91.000 TYR 323 0.840 32.658 72.428 52.461 -99.200 -91.000 HIS 329 0.900 17.996 79.542 58.275 -99.200 -91.000 TYR 332 0.840 14.334 80.753 52.132 -99.200 -91.000 HIS 339 0.900 16.458 74.838 39.718 -99.200 -91.000 PHE 343 1.000 23.884 72.239 47.857 -99.200 -91.000 HIS 348 0.900 27.239 63.560 46.509 -99.200 -91.000 HIS 350 0.900 34.824 71.817 41.775 -99.200 -91.000