============================================================================= 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 7 1.000 55.824 66.080 8.044 -99.200 -91.000 HIS 14 0.900 49.164 59.524 21.546 -99.200 -91.000 TYR 26 0.840 52.176 68.531 5.169 -99.200 -91.000 PHE 31 1.000 55.479 55.390 14.765 -99.200 -91.000 HIS 32 0.900 61.872 53.621 11.577 -99.200 -91.000 HIS 49 0.900 60.926 67.263 1.725 -99.200 -91.000 PHE 50 1.000 58.618 69.574 7.648 -99.200 -91.000 HIS 58 0.900 72.444 60.968 21.498 -99.200 -91.000 PHE 76 1.000 56.841 65.143 17.524 -99.200 -91.000 PHE 96 1.000 58.887 75.109 14.936 -99.200 -91.000 PHE 100 1.000 53.553 77.500 26.429 -99.200 -91.000 HIS 129 0.900 56.233 55.580 55.573 -99.200 -91.000 PHE 135 1.000 45.042 75.077 59.869 -99.200 -91.000 TYR 147 0.840 45.030 83.900 36.206 -99.200 -91.000 HIS 149 0.900 50.416 78.807 28.126 -99.200 -91.000 TYR 163 0.840 36.588 82.063 49.450 -99.200 -91.000 TYR 165 0.840 41.761 86.783 46.741 -99.200 -91.000 PHE 166 1.000 45.217 87.113 38.221 -99.200 -91.000 TYR 167 0.840 52.745 90.898 41.414 -99.200 -91.000 HIS 183 0.900 50.204 98.073 45.197 -99.200 -91.000 HIS 196 0.900 52.388 77.544 39.241 -99.200 -91.000 HIS 240 0.900 56.029 83.976 58.657 -99.200 -91.000 PHE 250 1.000 71.807 74.765 43.130 -99.200 -91.000 PHE 257 1.000 63.623 72.761 57.673 -99.200 -91.000 TYR 284 0.840 59.577 76.405 9.140 -99.200 -91.000 PHE 296 1.000 64.949 79.621 11.754 -99.200 -91.000 HIS 304 0.900 45.006 88.648 7.140 -99.200 -91.000 HIS 310 0.900 66.147 85.612 1.717 -99.200 -91.000 HIS 312 0.900 67.829 87.477 5.634 -99.200 -91.000 PHE 326 1.000 58.467 90.250 -3.789 -99.200 -91.000 TYR 337 0.840 56.750 89.264 12.824 -99.200 -91.000 TYR 345 0.840 61.402 82.752 8.906 -99.200 -91.000 TYR 376 0.840 49.844 81.079 1.875 -99.200 -91.000