============================================================================= 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. PHE 11 1.000 48.842 26.926 93.635 -99.200 -91.000 HIS 22 0.900 53.308 31.963 107.986 -99.200 -91.000 PHE 24 1.000 52.340 35.051 105.419 -99.200 -91.000 PHE 25 1.000 44.098 31.660 103.735 -99.200 -91.000 TYR 35 0.840 37.606 37.325 108.073 -99.200 -91.000 TYR 39 0.840 36.309 26.628 111.642 -99.200 -91.000 PHE 41 1.000 45.731 26.153 104.700 -99.200 -91.000 TYR 53 0.840 48.692 39.172 108.785 -99.200 -91.000 PHE 58 1.000 51.447 39.963 103.025 -99.200 -91.000 HIS 77 0.900 34.382 41.189 90.574 -99.200 -91.000 PHE 90 1.000 56.125 43.239 101.500 -99.200 -91.000 PHE 102 1.000 34.030 38.615 86.065 -99.200 -91.000 TYR 114 0.840 51.524 29.015 89.610 -99.200 -91.000 TYR 118 0.840 36.087 35.833 91.239 -99.200 -91.000 TRP 120 1.040 30.442 38.964 90.065 -99.200 -91.000 TRP6 120 1.020 29.468 40.607 88.719 -99.200 -91.000 TYR 131 0.840 32.521 33.106 99.964 -99.200 -91.000 TYR 135 0.840 35.969 26.498 101.333 -99.200 -91.000 PHE 139 1.000 38.548 22.046 101.711 -99.200 -91.000 PHE 151 1.000 40.919 18.411 95.231 -99.200 -91.000 TYR 165 0.840 25.302 28.905 96.845 -99.200 -91.000 PHE 179 1.000 17.261 42.448 106.625 -99.200 -91.000 HIS 183 0.900 15.623 44.669 109.792 -99.200 -91.000 TYR 190 0.840 25.188 46.458 117.015 -99.200 -91.000 TYR 197 0.840 33.692 38.056 112.777 -99.200 -91.000 TYR 201 0.840 35.161 42.514 108.223 -99.200 -91.000 TYR 203 0.840 23.805 41.497 105.032 -99.200 -91.000 TRP 211 1.040 25.961 55.522 101.981 -99.200 -91.000 TRP6 211 1.020 25.034 57.382 100.865 -99.200 -91.000 HIS 213 0.900 25.768 54.740 111.560 -99.200 -91.000 HIS 215 0.900 31.009 45.987 116.488 -99.200 -91.000 HIS 218 0.900 33.933 34.967 117.795 -99.200 -91.000 TYR 222 0.840 25.444 39.029 122.121 -99.200 -91.000 PHE 223 1.000 26.423 35.186 125.371 -99.200 -91.000 HIS 224 0.900 33.180 36.792 127.937 -99.200 -91.000 PHE 227 1.000 26.370 40.127 127.975 -99.200 -91.000 PHE 236 1.000 22.857 42.315 118.161 -99.200 -91.000 PHE 255 1.000 21.780 38.173 126.675 -99.200 -91.000 TYR 259 0.840 17.825 39.143 128.859 -99.200 -91.000 TYR 271 0.840 19.628 27.949 104.709 -99.200 -91.000 PHE 273 1.000 24.363 22.983 104.165 -99.200 -91.000 TYR 283 0.840 36.154 22.401 106.996 -99.200 -91.000 TYR 296 0.840 17.236 37.484 104.636 -99.200 -91.000 HIS 306 0.900 21.985 53.554 99.438 -99.200 -91.000 HIS 310 0.900 24.267 56.537 95.791 -99.200 -91.000 TYR 313 0.840 32.270 59.647 101.084 -99.200 -91.000 TRP 314 1.040 34.593 52.026 92.061 -99.200 -91.000 TRP6 314 1.020 32.588 50.999 92.713 -99.200 -91.000 TYR 318 0.840 39.091 56.113 98.023 -99.200 -91.000