============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.038 8.985 40.262 -99.200 -91.000 TYR 17 0.840 -1.147 12.275 43.047 -99.200 -91.000 PHE 18 1.000 -4.811 15.401 41.431 -99.200 -91.000 TRP 23 1.040 1.678 13.222 46.327 -99.200 -91.000 TRP6 23 1.020 1.829 10.972 47.028 -99.200 -91.000 TYR 24 0.840 8.153 16.031 51.184 -99.200 -91.000 TYR 28 0.840 16.444 13.322 39.253 -99.200 -91.000 TYR 40 0.840 16.235 20.439 40.107 -99.200 -91.000 TYR 58 0.840 11.397 24.058 46.674 -99.200 -91.000 HIS 59 0.900 10.797 22.181 39.294 -99.200 -91.000 TYR 60 0.840 17.740 24.832 46.807 -99.200 -91.000 PHE 68 1.000 12.261 26.318 38.681 -99.200 -91.000 TYR 69 0.840 8.195 27.788 46.288 -99.200 -91.000 TYR 82 0.840 -5.107 14.519 36.147 -99.200 -91.000 PHE 86 1.000 5.060 25.945 32.850 -99.200 -91.000 TYR 104 0.840 1.568 21.562 26.654 -99.200 -91.000 TYR 105 0.840 2.854 20.331 35.047 -99.200 -91.000 PHE 107 1.000 1.612 14.920 37.943 -99.200 -91.000 TYR 111 0.840 1.554 1.970 43.166 -99.200 -91.000 HIS 120 0.900 5.605 10.818 30.896 -99.200 -91.000 HIS 124 0.900 5.029 19.501 25.626 -99.200 -91.000 TYR 134 0.840 8.937 7.367 32.815 -99.200 -91.000 PHE 160 1.000 14.219 2.808 42.571 -99.200 -91.000 PHE 163 1.000 12.977 5.783 38.025 -99.200 -91.000 TYR 173 0.840 11.823 18.812 50.032 -99.200 -91.000