============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 10 1.000 50.210 24.445 -21.351 -99.200 -91.000 PHE 23 1.000 51.542 33.643 -4.330 -99.200 -91.000 TYR 47 0.840 41.472 61.986 -4.761 -99.200 -91.000 HIS 61 0.900 24.898 40.093 -5.480 -99.200 -91.000 HIS 62 0.900 25.991 40.701 -0.572 -99.200 -91.000 TYR 86 0.840 32.971 44.724 16.240 -99.200 -91.000 TYR 100 0.840 43.915 34.492 4.050 -99.200 -91.000 HIS 105 0.900 49.918 39.942 10.221 -99.200 -91.000 PHE 106 1.000 45.698 42.311 9.485 -99.200 -91.000 TRP 121 1.040 43.417 17.232 7.473 -99.200 -91.000 TRP6 121 1.020 44.794 18.383 9.009 -99.200 -91.000 PHE 123 1.000 36.266 25.822 9.530 -99.200 -91.000 TYR 135 0.840 38.206 35.125 26.736 -99.200 -91.000 TYR 142 0.840 39.076 34.914 9.328 -99.200 -91.000 TRP 162 1.040 28.280 29.352 17.949 -99.200 -91.000 TRP6 162 1.020 30.473 29.295 17.066 -99.200 -91.000 PHE 171 1.000 29.420 33.771 15.676 -99.200 -91.000 TYR 177 0.840 39.308 31.204 -2.014 -99.200 -91.000 PHE 180 1.000 36.014 29.975 -8.027 -99.200 -91.000 PHE 186 1.000 28.640 28.431 0.756 -99.200 -91.000 PHE 205 1.000 33.583 42.983 -7.106 -99.200 -91.000 HIS 209 0.900 32.815 39.182 -9.703 -99.200 -91.000 TYR 216 0.840 31.047 43.000 -1.341 -99.200 -91.000 HIS 220 0.900 22.336 47.007 12.560 -99.200 -91.000 TYR 229 0.840 39.172 51.024 14.106 -99.200 -91.000 PHE 237 1.000 37.437 57.077 -12.057 -99.200 -91.000 PHE 251 1.000 35.273 36.129 -16.527 -99.200 -91.000 TYR 254 0.840 35.287 30.591 -19.733 -99.200 -91.000 TYR 277 0.840 40.431 13.963 -4.063 -99.200 -91.000 PHE 284 1.000 41.559 26.768 -2.012 -99.200 -91.000 PHE 286 1.000 45.750 21.232 2.766 -99.200 -91.000 HIS 287 0.900 48.128 16.676 -3.700 -99.200 -91.000 TYR 296 0.840 54.551 17.672 -5.379 -99.200 -91.000 HIS 299 0.900 62.468 16.806 -6.251 -99.200 -91.000 PHE 310 1.000 48.937 26.928 2.834 -99.200 -91.000 TRP 316 1.040 47.421 16.563 4.482 -99.200 -91.000 TRP6 316 1.020 45.466 15.831 3.364 -99.200 -91.000 TRP 328 1.040 53.262 20.584 -19.391 -99.200 -91.000 TRP6 328 1.020 54.741 20.975 -17.602 -99.200 -91.000 PHE 335 1.000 57.753 16.014 -10.222 -99.200 -91.000 TRP 340 1.040 62.281 13.431 -7.615 -99.200 -91.000 TRP6 340 1.020 63.046 14.820 -9.383 -99.200 -91.000