============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 17 1.000 44.816 24.492 -6.627 -99.200 -91.000 TRP 49 1.040 41.008 9.815 10.310 -99.200 -91.000 TRP6 49 1.020 39.124 8.868 11.406 -99.200 -91.000 TYR 62 0.840 57.448 12.282 22.501 -99.200 -91.000 PHE 64 1.000 52.026 12.050 19.027 -99.200 -91.000 HIS 72 0.900 38.262 8.190 -3.310 -99.200 -91.000 TYR 77 0.840 46.291 6.576 -6.174 -99.200 -91.000 TRP 80 1.040 49.568 8.204 5.839 -99.200 -91.000 TRP6 80 1.020 47.887 7.373 7.314 -99.200 -91.000 TRP 85 1.040 50.370 20.056 17.021 -99.200 -91.000 TRP6 85 1.020 48.993 19.432 15.190 -99.200 -91.000 TYR 93 0.840 52.838 24.812 17.879 -99.200 -91.000 PHE 103 1.000 50.623 8.207 -3.236 -99.200 -91.000 TRP 104 1.040 47.197 3.847 4.146 -99.200 -91.000 TRP6 104 1.020 46.844 2.209 5.845 -99.200 -91.000 PHE 106 1.000 42.919 -4.983 1.228 -99.200 -91.000 HIS 115 0.900 58.583 8.321 7.517 -99.200 -91.000 TYR 119 0.840 62.420 7.529 8.191 -99.200 -91.000 PHE 123 1.000 55.260 1.254 8.176 -99.200 -91.000 TYR 124 0.840 52.990 -7.920 3.068 -99.200 -91.000 TRP 133 1.040 42.574 -1.698 7.945 -99.200 -91.000 TRP6 133 1.020 41.322 0.007 9.043 -99.200 -91.000 TYR 156 0.840 47.716 3.375 11.223 -99.200 -91.000 TYR 166 0.840 48.876 6.596 15.693 -99.200 -91.000 HIS 180 0.900 58.660 5.705 18.460 -99.200 -91.000 PHE 188 1.000 37.726 19.695 11.115 -99.200 -91.000