============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 15 0.840 33.613 55.720 -35.079 -99.200 -91.000 PHE 18 1.000 35.583 55.949 -29.639 -99.200 -91.000 TYR 23 0.840 32.053 57.008 -26.186 -99.200 -91.000 TYR 28 0.840 28.716 56.182 -21.090 -99.200 -91.000 TRP 44 1.040 14.500 58.264 -20.397 -99.200 -91.000 TRP6 44 1.020 15.111 57.450 -22.542 -99.200 -91.000 PHE 53 1.000 17.110 43.189 -20.662 -99.200 -91.000 TYR 73 0.840 25.368 52.516 -21.067 -99.200 -91.000 HIS 81 0.900 16.183 39.205 -17.113 -99.200 -91.000 PHE 82 1.000 18.886 37.518 -23.090 -99.200 -91.000 PHE 90 1.000 35.771 49.403 -37.968 -99.200 -91.000 TRP 101 1.040 34.400 46.621 -15.742 -99.200 -91.000 TRP6 101 1.020 32.704 44.992 -15.982 -99.200 -91.000 PHE 109 1.000 34.455 55.032 -16.890 -99.200 -91.000 TRP 111 1.040 32.028 50.685 -16.944 -99.200 -91.000 TRP6 111 1.020 30.733 52.245 -18.169 -99.200 -91.000 TYR 114 0.840 26.839 54.943 -15.749 -99.200 -91.000 HIS 117 0.900 20.113 54.946 -10.981 -99.200 -91.000 TRP 128 1.040 28.845 48.191 -5.808 -99.200 -91.000 TRP6 128 1.020 31.022 47.785 -6.645 -99.200 -91.000 HIS 148 0.900 28.442 50.994 -42.113 -99.200 -91.000 PHE 170 1.000 23.649 56.611 -26.917 -99.200 -91.000 PHE 182 1.000 19.392 54.010 -37.925 -99.200 -91.000 HIS 188 0.900 24.313 45.348 -43.848 -99.200 -91.000 HIS 198 0.900 11.473 40.156 -27.399 -99.200 -91.000 TRP 209 1.040 28.807 68.461 -33.618 -99.200 -91.000 TRP6 209 1.020 29.861 68.874 -31.536 -99.200 -91.000 TYR 210 0.840 30.500 60.140 -31.155 -99.200 -91.000 TYR 236 0.840 14.056 44.372 -35.670 -99.200 -91.000 TYR 244 0.840 16.888 62.387 -21.025 -99.200 -91.000 HIS 249 0.900 23.374 70.150 -15.295 -99.200 -91.000 PHE 261 1.000 17.053 55.567 -31.241 -99.200 -91.000 PHE 262 1.000 14.346 50.897 -24.484 -99.200 -91.000 TRP 264 1.040 10.947 45.071 -26.284 -99.200 -91.000 TRP6 264 1.020 9.214 44.714 -24.711 -99.200 -91.000