============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 31 1.000 84.601 61.556 -2.815 -99.200 -91.000 PHE 52 1.000 90.153 52.817 1.206 -99.200 -91.000 TYR 56 0.840 97.398 62.798 11.472 -99.200 -91.000 HIS 63 0.900 95.320 45.045 23.868 -99.200 -91.000 TYR 82 0.840 97.984 60.553 16.912 -99.200 -91.000 PHE 138 1.000 75.595 67.295 18.943 -99.200 -91.000 HIS 156 0.900 66.471 61.798 9.504 -99.200 -91.000 PHE 160 1.000 70.958 68.113 1.845 -99.200 -91.000 TYR 173 0.840 72.321 77.876 9.479 -99.200 -91.000 PHE 193 1.000 55.793 41.573 13.961 -99.200 -91.000 PHE 201 1.000 50.684 44.365 16.470 -99.200 -91.000 TYR 226 0.840 57.554 63.834 14.560 -99.200 -91.000 TRP 231 1.040 65.753 68.556 17.720 -99.200 -91.000 TRP6 231 1.020 65.670 70.716 18.688 -99.200 -91.000 PHE 233 1.000 65.578 67.407 6.963 -99.200 -91.000 HIS 245 0.900 56.423 53.494 -0.897 -99.200 -91.000 HIS 251 0.900 64.986 55.288 -1.019 -99.200 -91.000 TYR 256 0.840 59.014 72.121 -2.567 -99.200 -91.000 HIS 257 0.900 54.440 77.604 1.271 -99.200 -91.000 HIS 276 0.900 72.760 64.053 -1.513 -99.200 -91.000 TYR 280 0.840 75.170 69.854 -0.922 -99.200 -91.000 PHE 293 1.000 61.079 54.128 -11.784 -99.200 -91.000 PHE 301 1.000 52.756 56.461 -1.698 -99.200 -91.000 TYR 306 0.840 49.662 58.195 15.759 -99.200 -91.000 TYR 309 0.840 52.862 50.516 12.665 -99.200 -91.000 PHE 340 1.000 60.020 41.238 21.531 -99.200 -91.000 PHE 347 1.000 55.980 44.046 18.811 -99.200 -91.000