============================================================================= 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. PHE 12 1.000 46.285 45.466 1.390 -99.200 -91.000 HIS 18 0.900 54.742 62.332 5.274 -99.200 -91.000 TYR 22 0.840 58.980 46.557 0.749 -99.200 -91.000 HIS 28 0.900 49.178 38.584 10.834 -99.200 -91.000 PHE 38 1.000 48.153 50.384 12.818 -99.200 -91.000 PHE 39 1.000 54.038 41.900 16.362 -99.200 -91.000 TYR 44 0.840 50.436 42.309 19.630 -99.200 -91.000 HIS 49 0.900 42.145 58.815 22.958 -99.200 -91.000 PHE 51 1.000 48.424 53.091 22.840 -99.200 -91.000 HIS 54 0.900 54.328 64.520 13.104 -99.200 -91.000 HIS 57 0.900 53.457 68.547 7.281 -99.200 -91.000 PHE 63 1.000 52.765 50.822 24.659 -99.200 -91.000 HIS 73 0.900 45.562 58.053 3.218 -99.200 -91.000 HIS 79 0.900 35.153 54.802 11.806 -99.200 -91.000 TRP 103 1.040 40.373 51.056 -6.157 -99.200 -91.000 TRP6 103 1.020 38.033 50.786 -5.929 -99.200 -91.000 PHE 105 1.000 45.795 50.313 2.495 -99.200 -91.000 TYR 106 0.840 35.450 50.060 0.039 -99.200 -91.000 TYR 122 0.840 27.927 50.234 15.912 -99.200 -91.000 PHE 123 1.000 33.189 57.768 21.530 -99.200 -91.000 TYR 150 0.840 37.725 69.275 5.169 -99.200 -91.000 PHE 154 1.000 40.646 73.232 -0.383 -99.200 -91.000 PHE 157 1.000 42.646 74.355 -9.101 -99.200 -91.000 PHE 163 1.000 31.529 63.946 -1.018 -99.200 -91.000 PHE 165 1.000 30.530 58.062 4.644 -99.200 -91.000 PHE 179 1.000 44.144 68.195 -0.578 -99.200 -91.000 PHE 181 1.000 46.489 73.332 -1.635 -99.200 -91.000 TRP 183 1.040 50.858 76.945 -0.750 -99.200 -91.000 TRP6 183 1.020 49.088 77.150 -2.308 -99.200 -91.000 HIS 187 0.900 56.962 73.012 6.973 -99.200 -91.000 TYR 211 0.840 52.440 71.735 -10.486 -99.200 -91.000 TYR 218 0.840 35.783 61.228 -7.251 -99.200 -91.000 HIS 225 0.900 42.984 61.896 0.961 -99.200 -91.000 PHE 228 1.000 40.225 57.225 2.890 -99.200 -91.000 TYR 235 0.840 37.865 51.776 13.560 -99.200 -91.000 PHE 245 1.000 31.872 62.870 14.131 -99.200 -91.000 TYR 246 0.840 30.768 72.431 8.950 -99.200 -91.000 PHE 248 1.000 35.724 77.068 7.453 -99.200 -91.000 HIS 252 0.900 45.645 63.474 9.001 -99.200 -91.000