============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 29 1.000 9.207 -9.453 18.882 -99.200 -91.000 HIS 51 0.900 11.840 -4.523 20.538 -99.200 -91.000 TYR 64 0.840 15.669 -13.693 21.816 -99.200 -91.000 TYR 66 0.840 21.701 -11.495 21.203 -99.200 -91.000 TRP 71 1.040 26.432 -3.395 7.918 -99.200 -91.000 TRP6 71 1.020 25.103 -4.698 6.474 -99.200 -91.000 PHE 82 1.000 19.897 -18.721 10.081 -99.200 -91.000 PHE 83 1.000 24.351 -22.551 7.306 -99.200 -91.000 HIS 88 0.900 15.204 -23.863 17.838 -99.200 -91.000 HIS 96 0.900 14.282 -9.695 14.703 -99.200 -91.000 TYR 101 0.840 19.908 -3.920 3.465 -99.200 -91.000 PHE 106 1.000 23.851 -14.765 9.097 -99.200 -91.000 TYR 108 0.840 21.902 -17.340 -1.613 -99.200 -91.000 TYR 110 0.840 18.176 -23.667 6.791 -99.200 -91.000 TRP 125 1.040 21.311 -8.174 1.203 -99.200 -91.000 TRP6 125 1.020 23.414 -7.586 2.040 -99.200 -91.000 TYR 130 0.840 26.241 -3.049 1.365 -99.200 -91.000 TRP 133 1.040 27.576 -7.961 5.432 -99.200 -91.000 TRP6 133 1.020 26.277 -9.683 6.364 -99.200 -91.000 TYR 144 0.840 28.395 -24.971 5.067 -99.200 -91.000 HIS 146 0.900 28.345 -30.090 -1.829 -99.200 -91.000