============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 45.503 45.667 23.920 -99.200 -91.000 TYR 8 0.840 45.719 53.153 16.018 -99.200 -91.000 TRP 9 1.040 45.932 48.700 7.640 -99.200 -91.000 TRP6 9 1.020 44.621 47.580 9.211 -99.200 -91.000 HIS 18 0.900 42.679 49.172 17.382 -99.200 -91.000 PHE 19 1.000 48.578 46.517 13.620 -99.200 -91.000 TYR 22 0.840 47.437 40.713 22.077 -99.200 -91.000 PHE 44 1.000 40.498 36.494 16.628 -99.200 -91.000 TRP 55 1.040 53.198 31.091 18.439 -99.200 -91.000 TRP6 55 1.020 54.004 30.375 16.318 -99.200 -91.000 TYR 69 0.840 31.753 53.295 12.921 -99.200 -91.000 TYR 75 0.840 31.206 50.015 6.307 -99.200 -91.000 TYR 79 0.840 34.970 44.235 4.872 -99.200 -91.000 PHE 95 1.000 49.628 36.153 6.216 -99.200 -91.000 TYR 140 0.840 23.806 38.680 13.274 -99.200 -91.000 PHE 147 1.000 20.206 44.961 24.657 -99.200 -91.000 TRP 150 1.040 28.126 46.163 30.218 -99.200 -91.000 TRP6 150 1.020 28.641 45.599 27.983 -99.200 -91.000 HIS 151 0.900 17.661 44.970 31.680 -99.200 -91.000 TYR 164 0.840 28.394 30.327 21.555 -99.200 -91.000 TRP 167 1.040 29.098 29.460 26.333 -99.200 -91.000 TRP6 167 1.020 29.321 31.449 25.076 -99.200 -91.000 TRP 172 1.040 24.913 33.156 27.843 -99.200 -91.000 TRP6 172 1.020 24.819 33.109 25.485 -99.200 -91.000 TYR 175 0.840 28.861 35.859 22.270 -99.200 -91.000 PHE 189 1.000 24.488 43.496 19.065 -99.200 -91.000 TYR 191 0.840 27.475 45.679 13.747 -99.200 -91.000 PHE 198 1.000 25.456 51.034 -0.549 -99.200 -91.000 TRP 210 1.040 33.983 22.790 -2.536 -99.200 -91.000 TRP6 210 1.020 34.888 21.719 -0.635 -99.200 -91.000 PHE 213 1.000 39.487 23.242 2.220 -99.200 -91.000 HIS 255 0.900 29.415 30.745 12.199 -99.200 -91.000