============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 7 1.000 -101.008 49.941 -27.878 -99.200 -91.000 PHE 16 1.000 -101.056 70.605 -19.069 -99.200 -91.000 HIS 20 0.900 -87.117 70.480 2.767 -99.200 -91.000 TRP 21 1.040 -83.591 67.441 4.556 -99.200 -91.000 TRP6 21 1.020 -82.058 66.394 3.092 -99.200 -91.000 TRP 34 1.040 -66.433 80.686 -6.247 -99.200 -91.000 TRP6 34 1.020 -67.468 79.108 -7.681 -99.200 -91.000 TYR 37 0.840 -73.280 82.529 -5.636 -99.200 -91.000 TRP 44 1.040 -75.544 76.414 -5.382 -99.200 -91.000 TRP6 44 1.020 -76.178 74.624 -6.804 -99.200 -91.000 PHE 52 1.000 -90.638 68.620 -18.431 -99.200 -91.000 PHE 65 1.000 -100.707 61.136 -15.554 -99.200 -91.000 PHE 69 1.000 -86.898 68.361 -9.763 -99.200 -91.000 TRP 76 1.040 -89.356 77.495 -26.852 -99.200 -91.000 TRP6 76 1.020 -87.708 76.787 -28.396 -99.200 -91.000 HIS 79 0.900 -96.069 71.357 -26.660 -99.200 -91.000 HIS 81 0.900 -85.296 68.967 -31.988 -99.200 -91.000 PHE 82 1.000 -86.792 66.636 -28.066 -99.200 -91.000 PHE 85 1.000 -88.151 63.938 -34.241 -99.200 -91.000 PHE 98 1.000 -83.181 57.394 -26.102 -99.200 -91.000 TYR 101 0.840 -78.607 60.658 -27.462 -99.200 -91.000 PHE 105 1.000 -79.219 71.060 -33.416 -99.200 -91.000 TYR 106 0.840 -81.213 70.807 -28.970 -99.200 -91.000 TRP 124 1.040 -91.546 52.837 -21.478 -99.200 -91.000 TRP6 124 1.020 -91.829 50.523 -21.839 -99.200 -91.000 TYR 136 0.840 -94.851 44.882 -11.529 -99.200 -91.000 PHE 149 1.000 -88.088 51.960 -1.691 -99.200 -91.000 TYR 150 0.840 -79.902 54.233 -0.622 -99.200 -91.000 PHE 163 1.000 -86.979 54.431 4.574 -99.200 -91.000 TRP 164 1.040 -81.452 48.564 2.485 -99.200 -91.000 TRP6 164 1.020 -79.171 49.014 2.059 -99.200 -91.000 PHE 172 1.000 -68.477 72.192 7.350 -99.200 -91.000 HIS 178 0.900 -55.198 70.026 5.584 -99.200 -91.000 PHE 187 1.000 -72.765 65.375 8.752 -99.200 -91.000 HIS 191 0.900 -75.338 61.936 11.008 -99.200 -91.000 PHE 199 1.000 -79.378 52.335 9.701 -99.200 -91.000 TYR 205 0.840 -75.699 68.218 -5.734 -99.200 -91.000 TYR 211 0.840 -61.966 67.356 1.300 -99.200 -91.000 TRP 226 1.040 -73.105 54.311 -1.574 -99.200 -91.000 TRP6 226 1.020 -74.844 52.711 -1.468 -99.200 -91.000 TRP 227 1.040 -66.637 56.941 1.476 -99.200 -91.000 TRP6 227 1.020 -66.593 58.871 2.827 -99.200 -91.000 PHE 239 1.000 -65.528 58.097 -8.811 -99.200 -91.000 HIS 246 0.900 -58.773 55.428 0.607 -99.200 -91.000 PHE 251 1.000 -64.287 55.552 -3.117 -99.200 -91.000 HIS 256 0.900 -76.119 65.195 -10.677 -99.200 -91.000 TYR 258 0.840 -77.221 64.122 -18.272 -99.200 -91.000 TYR 261 0.840 -74.077 55.793 -27.720 -99.200 -91.000 PHE 263 1.000 -75.637 56.226 -16.620 -99.200 -91.000 TRP 280 1.040 -80.705 65.169 -14.813 -99.200 -91.000 TRP6 280 1.020 -82.413 66.792 -14.602 -99.200 -91.000 TYR 297 0.840 -68.426 44.569 -18.817 -99.200 -91.000 HIS 304 0.900 -82.617 61.262 -8.019 -99.200 -91.000 TYR 309 0.840 -92.482 58.777 -13.286 -99.200 -91.000 TYR 311 0.840 -90.861 53.811 -5.910 -99.200 -91.000 HIS 312 0.900 -94.493 50.318 -12.056 -99.200 -91.000 PHE 313 1.000 -83.987 50.014 -13.825 -99.200 -91.000 PHE 322 1.000 -78.991 48.244 -2.498 -99.200 -91.000 TYR 325 0.840 -89.616 58.026 -0.562 -99.200 -91.000 PHE 339 1.000 -92.652 62.261 -8.882 -99.200 -91.000 PHE 343 1.000 -98.214 62.383 -10.072 -99.200 -91.000 TYR 353 0.840 -92.412 46.182 3.537 -99.200 -91.000 PHE 364 1.000 -93.759 54.609 -15.342 -99.200 -91.000 TYR 381 0.840 -95.547 81.087 -19.872 -99.200 -91.000 PHE 383 1.000 -94.443 76.780 -27.166 -99.200 -91.000