============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 74.929 83.214 46.161 -99.200 -91.000 HIS 5 0.900 78.777 83.813 48.852 -99.200 -91.000 TYR 18 0.840 70.934 70.696 47.863 -99.200 -91.000 TYR 31 0.840 59.020 87.864 52.576 -99.200 -91.000 TYR 47 0.840 55.401 100.318 44.204 -99.200 -91.000 PHE 50 1.000 49.330 92.361 39.434 -99.200 -91.000 PHE 51 1.000 48.232 84.435 43.664 -99.200 -91.000 TYR 52 0.840 57.087 86.870 43.824 -99.200 -91.000 TYR 56 0.840 61.729 84.389 42.199 -99.200 -91.000 TRP 63 1.040 77.593 86.648 39.631 -99.200 -91.000 TRP6 63 1.020 76.668 87.421 41.661 -99.200 -91.000 TYR 64 0.840 71.715 83.471 33.624 -99.200 -91.000 PHE 70 1.000 70.015 80.461 35.980 -99.200 -91.000 TYR 81 0.840 56.409 77.359 57.167 -99.200 -91.000 TRP 104 1.040 67.112 84.438 29.697 -99.200 -91.000 TRP6 104 1.020 67.939 82.840 28.172 -99.200 -91.000 TYR 115 0.840 49.757 66.897 40.846 -99.200 -91.000 PHE 116 1.000 54.269 69.039 40.778 -99.200 -91.000 TRP 119 1.040 53.925 67.609 35.733 -99.200 -91.000 TRP6 119 1.020 53.296 69.866 35.974 -99.200 -91.000 PHE 129 1.000 51.677 77.086 37.067 -99.200 -91.000 HIS 135 0.900 48.920 89.245 32.611 -99.200 -91.000 PHE 136 1.000 54.443 87.733 39.894 -99.200 -91.000 PHE 137 1.000 58.499 86.370 37.396 -99.200 -91.000 TYR 140 0.840 57.781 91.335 39.078 -99.200 -91.000 TRP 153 1.040 57.373 79.982 29.004 -99.200 -91.000 TRP6 153 1.020 57.834 79.820 31.314 -99.200 -91.000 TYR 170 0.840 79.591 81.063 43.917 -99.200 -91.000 PHE 174 1.000 81.002 85.660 44.444 -99.200 -91.000