============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 3 0.900 61.325 47.309 5.686 -99.200 -91.000 TYR 7 0.840 47.456 53.286 1.778 -99.200 -91.000 PHE 8 1.000 47.018 45.049 -1.648 -99.200 -91.000 PHE 22 1.000 36.510 52.806 -1.031 -99.200 -91.000 TYR 27 0.840 47.643 44.297 3.622 -99.200 -91.000 PHE 33 1.000 49.412 51.225 7.303 -99.200 -91.000 PHE 36 1.000 35.715 53.995 4.733 -99.200 -91.000 TYR 45 0.840 42.148 54.950 6.592 -99.200 -91.000 TRP 51 1.040 52.875 49.270 13.905 -99.200 -91.000 TRP6 51 1.020 52.554 50.612 11.989 -99.200 -91.000 TYR 59 0.840 47.049 58.206 9.787 -99.200 -91.000 TRP 60 1.040 43.501 57.530 13.774 -99.200 -91.000 TRP6 60 1.020 44.057 55.606 12.506 -99.200 -91.000 PHE 74 1.000 37.821 53.804 -6.430 -99.200 -91.000 TYR 84 0.840 34.688 55.010 -19.983 -99.200 -91.000 TYR 85 0.840 35.020 47.868 -20.264 -99.200 -91.000 HIS 93 0.900 29.769 44.707 -14.338 -99.200 -91.000 TYR 113 0.840 53.807 49.182 -6.434 -99.200 -91.000 TYR 116 0.840 42.253 52.825 -11.089 -99.200 -91.000 TYR 118 0.840 34.438 47.058 -15.256 -99.200 -91.000 TYR 122 0.840 39.829 50.910 -17.200 -99.200 -91.000 TRP 132 1.040 48.293 57.867 -16.713 -99.200 -91.000 TRP6 132 1.020 47.990 57.296 -14.447 -99.200 -91.000 HIS 144 0.900 43.471 59.391 -25.479 -99.200 -91.000 TRP 146 1.040 42.697 59.426 -14.969 -99.200 -91.000 TRP6 146 1.020 43.336 57.301 -14.142 -99.200 -91.000 TYR 158 0.840 50.394 58.620 -2.268 -99.200 -91.000 TRP 166 1.040 52.379 60.338 5.596 -99.200 -91.000 TRP6 166 1.020 51.533 60.449 7.804 -99.200 -91.000 TYR 170 0.840 52.372 54.861 8.004 -99.200 -91.000 HIS 187 0.900 55.430 20.533 12.490 -99.200 -91.000 HIS 190 0.900 55.418 8.587 7.164 -99.200 -91.000 HIS 191 0.900 49.976 13.204 6.862 -99.200 -91.000 TRP 203 1.040 53.147 21.186 8.562 -99.200 -91.000 TRP6 203 1.020 51.294 22.583 8.111 -99.200 -91.000 PHE 207 1.000 57.391 31.851 7.845 -99.200 -91.000 TYR 208 0.840 57.052 40.511 10.459 -99.200 -91.000 TRP 216 1.040 60.116 18.399 1.167 -99.200 -91.000 TRP6 216 1.020 60.814 17.033 2.974 -99.200 -91.000 PHE 240 1.000 53.292 37.026 7.241 -99.200 -91.000 TRP 243 1.040 51.055 23.023 3.772 -99.200 -91.000 TRP6 243 1.020 50.977 21.672 1.837 -99.200 -91.000 TYR 255 0.840 68.406 6.728 1.643 -99.200 -91.000 TYR 256 0.840 63.208 11.502 -0.858 -99.200 -91.000 HIS 259 0.900 68.259 21.186 2.840 -99.200 -91.000 TYR 261 0.840 67.705 27.449 1.897 -99.200 -91.000 HIS 262 0.900 62.491 34.101 8.261 -99.200 -91.000 TRP 273 1.040 59.285 9.954 9.174 -99.200 -91.000 TRP6 273 1.020 57.505 10.597 10.590 -99.200 -91.000