============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 1 0.840 72.180 8.536 59.684 -99.200 -91.000 TRP 7 1.040 79.136 3.336 49.706 -99.200 -91.000 TRP6 7 1.020 79.410 1.373 50.981 -99.200 -91.000 PHE 13 1.000 83.267 -2.494 48.693 -99.200 -91.000 TRP 27 1.040 66.410 3.717 33.178 -99.200 -91.000 TRP6 27 1.020 65.969 4.174 30.941 -99.200 -91.000 PHE 29 1.000 75.114 4.045 30.914 -99.200 -91.000 PHE 61 1.000 58.555 -4.021 36.244 -99.200 -91.000 HIS 64 0.900 58.038 5.558 28.958 -99.200 -91.000 PHE 75 1.000 67.990 -0.252 41.330 -99.200 -91.000 TYR 77 0.840 63.526 -5.579 33.054 -99.200 -91.000 TYR 80 0.840 57.956 -7.863 40.480 -99.200 -91.000 TYR 90 0.840 70.582 -6.864 25.453 -99.200 -91.000 TYR 92 0.840 74.868 2.438 25.913 -99.200 -91.000 HIS 98 0.900 62.480 -4.511 18.169 -99.200 -91.000 PHE 101 1.000 66.756 -12.012 30.542 -99.200 -91.000 PHE 109 1.000 70.639 -13.419 39.267 -99.200 -91.000 TYR 131 0.840 71.739 -0.641 55.742 -99.200 -91.000 PHE 136 1.000 71.815 11.931 43.159 -99.200 -91.000 PHE 138 1.000 71.504 16.486 39.194 -99.200 -91.000 PHE 144 1.000 75.741 18.649 36.584 -99.200 -91.000 TYR 147 0.840 81.432 19.827 38.390 -99.200 -91.000 TYR 152 0.840 75.310 22.300 39.773 -99.200 -91.000 HIS 158 0.900 62.971 25.743 37.791 -99.200 -91.000 HIS 166 0.900 72.232 13.243 34.241 -99.200 -91.000 TYR 173 0.840 78.085 10.874 54.115 -99.200 -91.000 TYR 180 0.840 82.285 17.104 49.408 -99.200 -91.000 TRP 181 1.040 74.276 14.670 48.578 -99.200 -91.000 TRP6 181 1.020 73.972 12.533 49.543 -99.200 -91.000 TRP 187 1.040 76.524 13.093 31.041 -99.200 -91.000 TRP6 187 1.020 76.191 15.310 31.796 -99.200 -91.000 TRP 191 1.040 80.849 16.446 32.640 -99.200 -91.000 TRP6 191 1.020 80.003 16.162 34.828 -99.200 -91.000 TYR 196 0.840 83.319 9.401 40.415 -99.200 -91.000 PHE 197 1.000 77.283 15.561 39.738 -99.200 -91.000 TYR 214 0.840 69.245 1.304 49.642 -99.200 -91.000