============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 3 0.840 24.012 21.743 -1.110 -99.200 -91.000 TYR 19 0.840 53.806 18.889 0.362 -99.200 -91.000 HIS 27 0.900 38.419 33.237 0.014 -99.200 -91.000 HIS 36 0.900 23.370 33.546 6.627 -99.200 -91.000 TYR 61 0.840 36.361 21.133 15.982 -99.200 -91.000 TYR 68 0.840 33.919 15.391 21.263 -99.200 -91.000 TYR 71 0.840 26.766 23.738 15.028 -99.200 -91.000 HIS 72 0.900 27.674 27.747 16.253 -99.200 -91.000 TYR 77 0.840 23.910 13.250 20.148 -99.200 -91.000 PHE 81 1.000 33.574 -0.069 21.684 -99.200 -91.000 PHE 100 1.000 46.215 -4.057 22.280 -99.200 -91.000 PHE 109 1.000 45.250 5.564 26.899 -99.200 -91.000 PHE 117 1.000 49.851 3.665 14.971 -99.200 -91.000 TYR 125 0.840 53.190 7.637 16.446 -99.200 -91.000 TYR 132 0.840 41.749 0.821 29.325 -99.200 -91.000 HIS 138 0.900 37.089 7.497 20.530 -99.200 -91.000 TRP 143 1.040 47.629 -2.871 11.944 -99.200 -91.000 TRP6 143 1.020 47.396 -1.240 13.644 -99.200 -91.000 PHE 149 1.000 36.929 -8.486 13.235 -99.200 -91.000 TYR 170 0.840 43.465 -0.302 10.663 -99.200 -91.000 TYR 171 0.840 40.092 -7.382 11.234 -99.200 -91.000 PHE 178 1.000 26.805 5.660 19.184 -99.200 -91.000 HIS 179 0.900 27.855 4.766 10.216 -99.200 -91.000 PHE 201 1.000 33.824 19.036 -0.890 -99.200 -91.000 PHE 210 1.000 25.548 8.328 -2.041 -99.200 -91.000 HIS 222 0.900 38.385 2.412 -0.136 -99.200 -91.000 PHE 237 1.000 48.364 22.376 -0.308 -99.200 -91.000 TYR 242 0.840 37.660 29.246 -4.395 -99.200 -91.000