============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 3.569 69.335 -5.537 -99.200 -91.000 TRP6 12 1.020 4.523 69.510 -7.689 -99.200 -91.000 TYR 20 0.840 -1.140 50.277 8.384 -99.200 -91.000 TRP 26 1.040 -8.814 54.834 9.536 -99.200 -91.000 TRP6 26 1.020 -9.307 53.131 7.982 -99.200 -91.000 HIS 28 0.900 1.612 58.269 4.529 -99.200 -91.000 TRP 39 1.040 -10.609 53.081 -11.750 -99.200 -91.000 TRP6 39 1.020 -9.901 50.890 -11.249 -99.200 -91.000 HIS 45 0.900 7.076 49.014 -2.374 -99.200 -91.000 PHE 53 1.000 -3.850 48.554 2.269 -99.200 -91.000 HIS 60 0.900 -0.085 71.151 3.225 -99.200 -91.000 TYR 71 0.840 -10.939 61.811 6.012 -99.200 -91.000 HIS 80 0.900 2.397 44.202 -14.525 -99.200 -91.000 TYR 82 0.840 4.546 39.188 -16.691 -99.200 -91.000 TRP 83 1.040 4.622 42.958 -6.430 -99.200 -91.000 TRP6 83 1.020 6.621 44.191 -6.209 -99.200 -91.000 TYR 91 0.840 7.367 43.363 -14.852 -99.200 -91.000 TYR 107 0.840 -8.014 73.259 -1.293 -99.200 -91.000 TYR 127 0.840 10.328 70.627 -7.905 -99.200 -91.000 TRP 131 1.040 1.855 63.950 4.057 -99.200 -91.000 TRP6 131 1.020 0.421 63.517 2.231 -99.200 -91.000 TYR 148 0.840 15.729 70.432 -9.502 -99.200 -91.000 TYR 154 0.840 19.345 50.962 -18.597 -99.200 -91.000 TYR 160 0.840 25.851 57.093 -10.896 -99.200 -91.000 TRP 161 1.040 20.499 52.560 -7.670 -99.200 -91.000 TRP6 161 1.020 20.076 51.196 -5.793 -99.200 -91.000 HIS 190 0.900 4.092 65.460 -8.749 -99.200 -91.000 TYR 197 0.840 5.938 70.547 -12.604 -99.200 -91.000 HIS 200 0.900 7.358 61.694 -17.734 -99.200 -91.000 PHE 205 1.000 14.762 49.704 -6.327 -99.200 -91.000 PHE 220 1.000 11.356 58.375 -8.278 -99.200 -91.000 TYR 226 0.840 4.919 49.082 -15.957 -99.200 -91.000 TRP 229 1.040 -1.590 46.080 -16.128 -99.200 -91.000 TRP6 229 1.020 -1.673 47.341 -14.137 -99.200 -91.000