============================================================================= 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 36.653 2.632 76.229 -99.200 -91.000 HIS 22 0.900 41.818 5.364 61.536 -99.200 -91.000 PHE 24 1.000 44.642 5.789 64.359 -99.200 -91.000 PHE 25 1.000 43.252 -2.619 67.697 -99.200 -91.000 TYR 35 0.840 50.653 -8.147 64.882 -99.200 -91.000 TYR 39 0.840 41.099 -12.842 61.163 -99.200 -91.000 PHE 41 1.000 37.712 -2.574 65.960 -99.200 -91.000 TYR 53 0.840 49.979 2.786 62.015 -99.200 -91.000 PHE 58 1.000 49.363 6.685 67.149 -99.200 -91.000 HIS 77 0.900 53.623 -7.123 82.639 -99.200 -91.000 PHE 90 1.000 51.431 12.314 67.866 -99.200 -91.000 PHE 102 1.000 51.208 -7.352 86.904 -99.200 -91.000 TYR 114 0.840 37.530 6.586 79.708 -99.200 -91.000 TYR 118 0.840 48.185 -6.833 81.360 -99.200 -91.000 TRP 120 1.040 52.623 -11.280 84.817 -99.200 -91.000 TRP6 120 1.020 53.236 -11.810 82.628 -99.200 -91.000 TYR 131 0.840 47.080 -12.585 73.531 -99.200 -91.000 TYR 135 0.840 39.997 -11.227 71.280 -99.200 -91.000 PHE 139 1.000 35.120 -10.060 70.151 -99.200 -91.000 PHE 151 1.000 30.375 -7.414 75.682 -99.200 -91.000 TYR 165 0.840 44.520 -19.774 78.084 -99.200 -91.000 PHE 179 1.000 60.407 -25.778 70.757 -99.200 -91.000 HIS 183 0.900 63.213 -27.445 68.021 -99.200 -91.000 TYR 190 0.840 63.285 -19.333 59.110 -99.200 -91.000 TYR 197 0.840 52.784 -12.480 61.169 -99.200 -91.000 TYR 201 0.840 56.331 -9.066 65.516 -99.200 -91.000 TYR 203 0.840 57.754 -19.565 70.911 -99.200 -91.000 TRP 211 1.040 70.487 -13.294 74.105 -99.200 -91.000 TRP6 211 1.020 72.443 -13.462 75.427 -99.200 -91.000 HIS 213 0.900 70.657 -15.555 64.761 -99.200 -91.000 HIS 215 0.900 61.283 -13.801 58.475 -99.200 -91.000 HIS 218 0.900 50.239 -13.979 56.144 -99.200 -91.000 TYR 222 0.840 56.470 -21.969 53.775 -99.200 -91.000 PHE 223 1.000 53.084 -22.610 50.228 -99.200 -91.000 HIS 224 0.900 52.962 -16.199 46.734 -99.200 -91.000 PHE 227 1.000 57.950 -21.915 47.900 -99.200 -91.000 PHE 236 1.000 60.054 -22.807 58.358 -99.200 -91.000 PHE 255 1.000 57.078 -26.569 49.995 -99.200 -91.000 TYR 259 0.840 59.091 -30.621 48.533 -99.200 -91.000 TYR 271 0.840 45.715 -26.996 71.546 -99.200 -91.000 PHE 273 1.000 39.764 -23.791 70.916 -99.200 -91.000 TYR 283 0.840 36.534 -13.247 65.522 -99.200 -91.000 TYR 296 0.840 55.347 -26.701 72.536 -99.200 -91.000 HIS 306 0.900 69.292 -17.218 77.167 -99.200 -91.000 HIS 310 0.900 71.419 -13.852 80.491 -99.200 -91.000 TYR 313 0.840 72.830 -5.970 73.710 -99.200 -91.000 TRP 314 1.040 63.965 -3.934 81.617 -99.200 -91.000 TRP6 314 1.020 63.562 -6.261 81.467 -99.200 -91.000 TYR 318 0.840 67.523 0.137 75.241 -99.200 -91.000