============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 3 1.000 38.583 28.259 16.118 -99.200 -91.000 TYR 15 0.840 23.544 13.273 17.353 -99.200 -91.000 HIS 25 0.900 17.839 9.043 35.668 -99.200 -91.000 PHE 28 1.000 22.200 8.927 30.048 -99.200 -91.000 HIS 35 0.900 29.592 8.127 23.071 -99.200 -91.000 PHE 36 1.000 34.339 15.789 26.514 -99.200 -91.000 HIS 46 0.900 36.478 22.516 15.737 -99.200 -91.000 TYR 48 0.840 30.010 14.089 21.983 -99.200 -91.000 HIS 61 0.900 6.977 34.062 30.258 -99.200 -91.000 TYR 64 0.840 6.043 21.601 28.715 -99.200 -91.000 TRP 77 1.040 30.269 22.843 16.929 -99.200 -91.000 TRP6 77 1.020 29.418 22.054 18.989 -99.200 -91.000 PHE 78 1.000 30.689 15.762 12.289 -99.200 -91.000 TYR 84 0.840 28.811 13.658 8.203 -99.200 -91.000 TYR 87 0.840 31.725 11.239 12.992 -99.200 -91.000 TRP 96 1.040 32.330 8.309 20.470 -99.200 -91.000 TRP6 96 1.020 31.604 10.201 19.271 -99.200 -91.000 PHE 97 1.000 28.356 6.835 15.408 -99.200 -91.000 HIS 99 0.900 30.348 4.392 25.754 -99.200 -91.000 TYR 102 0.840 26.759 -0.389 28.695 -99.200 -91.000 PHE 103 1.000 26.168 6.997 26.285 -99.200 -91.000 PHE 110 1.000 15.941 18.065 16.951 -99.200 -91.000