============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 10 1.000 35.901 56.428 49.981 -99.200 -91.000 TYR 48 0.840 33.291 52.040 48.511 -99.200 -91.000 PHE 50 1.000 37.266 48.532 54.791 -99.200 -91.000 TYR 69 0.840 44.983 63.836 46.408 -99.200 -91.000 HIS 77 0.900 29.511 65.251 45.913 -99.200 -91.000 HIS 78 0.900 27.492 71.030 43.205 -99.200 -91.000 HIS 81 0.900 24.656 61.904 53.525 -99.200 -91.000 PHE 92 1.000 39.148 53.113 61.173 -99.200 -91.000 PHE 110 1.000 41.546 56.982 57.556 -99.200 -91.000 TYR 123 0.840 37.921 69.378 61.000 -99.200 -91.000 TYR 125 0.840 32.405 60.224 63.517 -99.200 -91.000 TYR 145 0.840 34.185 71.471 48.305 -99.200 -91.000 TRP 157 1.040 34.988 75.639 62.580 -99.200 -91.000 TRP6 157 1.020 33.782 73.607 62.508 -99.200 -91.000 PHE 161 1.000 45.314 63.055 63.902 -99.200 -91.000 PHE 166 1.000 38.430 74.782 49.612 -99.200 -91.000 TRP 170 1.040 40.325 64.754 51.047 -99.200 -91.000 TRP6 170 1.020 40.433 62.532 50.249 -99.200 -91.000 PHE 180 1.000 27.934 46.470 64.629 -99.200 -91.000 PHE 184 1.000 14.373 52.590 58.908 -99.200 -91.000 HIS 196 0.900 15.460 69.538 56.840 -99.200 -91.000 TRP 223 1.040 16.928 62.326 50.871 -99.200 -91.000 TRP6 223 1.020 19.014 61.767 51.845 -99.200 -91.000 TYR 224 0.840 11.827 64.625 44.395 -99.200 -91.000 PHE 240 1.000 21.079 47.690 67.613 -99.200 -91.000 HIS 246 0.900 11.525 48.864 67.721 -99.200 -91.000 PHE 249 1.000 7.786 52.272 58.924 -99.200 -91.000 PHE 283 1.000 6.535 48.661 68.192 -99.200 -91.000 TYR 284 0.840 6.427 46.668 63.634 -99.200 -91.000 PHE 291 1.000 0.697 34.257 70.616 -99.200 -91.000 HIS 297 0.900 7.859 31.728 59.836 -99.200 -91.000 PHE 314 1.000 16.785 43.667 54.585 -99.200 -91.000 TYR 323 0.840 21.153 35.887 59.186 -99.200 -91.000