============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 3 0.840 70.665 15.268 54.455 -99.200 -91.000 TYR 27 0.840 67.967 12.436 44.820 -99.200 -91.000 PHE 29 1.000 61.915 15.737 44.028 -99.200 -91.000 TYR 32 0.840 67.638 8.310 41.199 -99.200 -91.000 HIS 35 0.900 59.185 3.649 46.861 -99.200 -91.000 TRP 36 1.040 56.414 10.081 51.142 -99.200 -91.000 TRP6 36 1.020 56.993 11.763 52.699 -99.200 -91.000 TRP 47 1.040 55.620 1.382 49.685 -99.200 -91.000 TRP6 47 1.020 53.846 1.086 48.149 -99.200 -91.000 TYR 52 0.840 58.963 9.750 37.066 -99.200 -91.000 TYR 60 0.840 48.439 7.349 47.178 -99.200 -91.000 PHE 64 1.000 49.482 3.198 55.524 -99.200 -91.000 TYR 80 0.840 55.899 19.836 49.808 -99.200 -91.000 TYR 93 0.840 53.452 8.790 59.540 -99.200 -91.000 PHE 94 1.000 61.977 6.558 59.541 -99.200 -91.000 PHE 104 1.000 61.818 1.769 49.863 -99.200 -91.000 TYR 106 0.840 72.000 7.818 49.284 -99.200 -91.000 TRP 107 1.040 65.858 4.143 54.187 -99.200 -91.000 TRP6 107 1.020 63.769 3.314 54.910 -99.200 -91.000 TYR 126 0.840 51.628 11.335 92.671 -99.200 -91.000 TYR 149 0.840 55.637 12.665 81.286 -99.200 -91.000 PHE 150 1.000 50.448 15.414 74.847 -99.200 -91.000 TRP 158 1.040 67.072 8.749 90.872 -99.200 -91.000 TRP6 158 1.020 65.382 8.719 92.526 -99.200 -91.000 HIS 168 0.900 68.444 -0.335 85.651 -99.200 -91.000 PHE 170 1.000 62.047 0.613 85.137 -99.200 -91.000 TYR 179 0.840 53.554 10.537 76.241 -99.200 -91.000 TRP 192 1.040 66.243 6.725 101.875 -99.200 -91.000 TRP6 192 1.020 64.659 5.101 102.546 -99.200 -91.000 HIS 203 0.900 56.088 18.354 80.788 -99.200 -91.000