============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 11 0.900 66.752 61.459 56.605 -99.200 -91.000 PHE 24 1.000 68.053 46.320 46.649 -99.200 -91.000 PHE 37 1.000 59.939 42.174 41.859 -99.200 -91.000 TYR 54 0.840 62.610 56.809 42.543 -99.200 -91.000 HIS 70 0.900 62.566 47.731 56.904 -99.200 -91.000 TRP 74 1.040 58.950 55.386 51.774 -99.200 -91.000 TRP6 74 1.020 59.528 55.718 49.520 -99.200 -91.000 HIS 84 0.900 60.626 60.334 48.366 -99.200 -91.000 PHE 86 1.000 60.008 66.132 39.353 -99.200 -91.000 TYR 110 0.840 69.632 59.579 33.235 -99.200 -91.000 PHE 127 1.000 65.425 58.749 38.283 -99.200 -91.000 HIS 166 0.900 94.589 84.333 47.339 -99.200 -91.000 TYR 201 0.840 107.853 63.630 61.350 -99.200 -91.000 PHE 218 1.000 103.443 68.774 69.964 -99.200 -91.000 HIS 224 0.900 106.028 74.011 62.969 -99.200 -91.000 HIS 239 0.900 98.697 66.138 79.128 -99.200 -91.000 HIS 243 0.900 100.810 75.557 76.656 -99.200 -91.000 HIS 339 0.900 49.384 50.550 8.508 -99.200 -91.000 PHE 360 1.000 38.025 52.483 1.184 -99.200 -91.000 TYR 364 0.840 37.658 51.606 6.587 -99.200 -91.000 TYR 383 0.840 40.109 50.790 31.792 -99.200 -91.000