============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 3 1.040 13.490 144.819 58.546 -99.200 -91.000 TRP6 3 1.020 15.178 146.393 58.033 -99.200 -91.000 PHE 4 1.000 20.340 137.079 58.494 -99.200 -91.000 PHE 7 1.000 20.228 139.306 66.918 -99.200 -91.000 TRP 11 1.040 28.540 139.399 65.264 -99.200 -91.000 TRP6 11 1.020 29.770 137.841 63.972 -99.200 -91.000 PHE 16 1.000 24.334 145.146 58.019 -99.200 -91.000 TYR 25 0.840 17.964 125.237 48.895 -99.200 -91.000 TYR 31 0.840 30.406 118.692 56.477 -99.200 -91.000 PHE 37 1.000 18.571 137.634 53.325 -99.200 -91.000 TYR 42 0.840 23.870 146.368 51.794 -99.200 -91.000 PHE 60 1.000 32.739 145.590 44.889 -99.200 -91.000 TYR 62 0.840 36.712 137.691 52.098 -99.200 -91.000 HIS 63 0.900 34.513 136.751 47.312 -99.200 -91.000 HIS 68 0.900 42.798 140.345 41.980 -99.200 -91.000 TYR 97 0.840 46.245 137.193 39.060 -99.200 -91.000 TYR 119 0.840 19.011 129.626 44.759 -99.200 -91.000 PHE 120 1.000 24.441 134.077 46.278 -99.200 -91.000 TYR 127 0.840 33.184 126.357 41.930 -99.200 -91.000 PHE 135 1.000 41.417 118.166 44.926 -99.200 -91.000 PHE 142 1.000 43.638 119.372 49.432 -99.200 -91.000 TYR 150 0.840 48.381 123.716 46.661 -99.200 -91.000 PHE 168 1.000 39.831 131.306 62.050 -99.200 -91.000 PHE 172 1.000 44.576 125.361 58.045 -99.200 -91.000 TYR 173 0.840 47.697 130.079 59.969 -99.200 -91.000 TYR 177 0.840 57.387 127.380 56.808 -99.200 -91.000 TYR 185 0.840 54.827 135.647 48.799 -99.200 -91.000 TRP 194 1.040 36.837 149.341 64.059 -99.200 -91.000 TRP6 194 1.020 37.364 151.139 65.517 -99.200 -91.000 HIS 196 0.900 35.940 139.597 65.558 -99.200 -91.000 TYR 206 0.840 47.593 130.162 67.156 -99.200 -91.000 PHE 211 1.000 53.902 131.176 56.944 -99.200 -91.000 TYR 216 0.840 44.642 142.198 60.680 -99.200 -91.000 TYR 224 0.840 32.466 139.319 55.335 -99.200 -91.000 PHE 253 1.000 44.156 140.606 36.418 -99.200 -91.000 TYR 258 0.840 38.191 147.605 48.580 -99.200 -91.000 TYR 259 0.840 44.999 144.951 44.022 -99.200 -91.000 TYR 261 0.840 51.623 149.960 42.152 -99.200 -91.000 HIS 264 0.900 49.250 144.757 47.213 -99.200 -91.000 PHE 268 1.000 49.300 144.539 53.656 -99.200 -91.000 PHE 273 1.000 42.305 150.050 67.570 -99.200 -91.000