============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 82 rings ring int. center anis. iso. TYR 3 0.840 41.225 47.353 61.419 -99.200 -91.000 PHE 7 1.000 45.206 52.587 54.401 -99.200 -91.000 PHE 35 1.000 30.588 65.809 55.706 -99.200 -91.000 TRP 41 1.040 38.460 54.766 52.137 -99.200 -91.000 TRP6 41 1.020 36.940 53.195 53.018 -99.200 -91.000 PHE 42 1.000 46.375 58.033 56.920 -99.200 -91.000 TYR 51 0.840 37.756 83.308 62.982 -99.200 -91.000 PHE 61 1.000 46.159 91.176 48.585 -99.200 -91.000 TRP 66 1.040 56.640 84.495 48.639 -99.200 -91.000 TRP6 66 1.020 56.321 82.243 49.173 -99.200 -91.000 PHE 67 1.000 52.043 80.262 43.314 -99.200 -91.000 PHE 68 1.000 50.676 88.714 39.847 -99.200 -91.000 TRP 73 1.040 62.605 86.379 37.908 -99.200 -91.000 TRP6 73 1.020 63.333 88.287 36.735 -99.200 -91.000 PHE 74 1.000 60.127 80.848 39.321 -99.200 -91.000 TRP 75 1.040 53.817 82.126 33.516 -99.200 -91.000 TRP6 75 1.020 53.081 81.473 31.371 -99.200 -91.000 TYR 76 0.840 61.633 89.153 32.093 -99.200 -91.000 TRP 80 1.040 56.404 87.382 28.538 -99.200 -91.000 TRP6 80 1.020 55.599 87.583 30.762 -99.200 -91.000 PHE 85 1.000 55.552 78.581 34.549 -99.200 -91.000 PHE 90 1.000 60.884 70.950 39.660 -99.200 -91.000 PHE 91 1.000 66.800 73.148 34.988 -99.200 -91.000 PHE 92 1.000 61.479 79.207 34.353 -99.200 -91.000 TYR 101 0.840 72.012 97.407 43.254 -99.200 -91.000 PHE 105 1.000 64.206 98.043 51.867 -99.200 -91.000 TRP 115 1.040 65.122 87.663 46.963 -99.200 -91.000 TRP6 115 1.020 65.640 88.698 49.017 -99.200 -91.000 PHE 120 1.000 55.685 94.560 52.468 -99.200 -91.000 PHE 121 1.000 53.227 91.735 48.117 -99.200 -91.000 PHE 123 1.000 58.587 90.607 58.441 -99.200 -91.000 TRP 127 1.040 57.028 87.722 61.260 -99.200 -91.000 TRP6 127 1.020 57.389 86.867 63.423 -99.200 -91.000 TRP 129 1.040 49.281 80.477 59.162 -99.200 -91.000 TRP6 129 1.020 47.295 80.425 57.892 -99.200 -91.000 TRP 130 1.040 53.650 83.301 65.884 -99.200 -91.000 TRP6 130 1.020 53.235 85.113 67.341 -99.200 -91.000 TYR 134 0.840 48.863 84.496 71.659 -99.200 -91.000 HIS 145 0.900 50.958 74.346 75.350 -99.200 -91.000 TRP 148 1.040 54.214 80.064 73.436 -99.200 -91.000 TRP6 148 1.020 54.517 82.337 72.812 -99.200 -91.000 PHE 150 1.000 54.061 79.455 62.038 -99.200 -91.000 TRP 155 1.040 65.956 80.611 65.718 -99.200 -91.000 TRP6 155 1.020 66.899 82.771 66.057 -99.200 -91.000 TRP 157 1.040 60.960 82.752 56.551 -99.200 -91.000 TRP6 157 1.020 59.738 84.348 57.784 -99.200 -91.000 PHE 162 1.000 62.817 88.185 55.790 -99.200 -91.000 TRP 171 1.040 68.311 93.704 51.451 -99.200 -91.000 TRP6 171 1.020 67.238 92.882 53.364 -99.200 -91.000 TYR 177 0.840 61.691 84.451 47.591 -99.200 -91.000 PHE 180 1.000 66.236 71.288 39.611 -99.200 -91.000 HIS 182 0.900 65.137 75.432 47.998 -99.200 -91.000 TRP 185 1.040 71.726 80.749 49.615 -99.200 -91.000 TRP6 185 1.020 71.452 80.126 51.869 -99.200 -91.000 PHE 189 1.000 75.130