============================================================================= 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. PHE 2 1.000 5.547 35.980 12.526 -99.200 -91.000 HIS 7 0.900 7.383 51.337 3.510 -99.200 -91.000 PHE 32 1.000 24.073 38.903 -13.705 -99.200 -91.000 HIS 39 0.900 16.357 40.926 -7.557 -99.200 -91.000 TYR 42 0.840 12.585 37.606 -3.579 -99.200 -91.000 PHE 68 1.000 22.454 35.829 -2.183 -99.200 -91.000 PHE 125 1.000 10.567 38.634 15.568 -99.200 -91.000 PHE 130 1.000 14.760 38.666 17.400 -99.200 -91.000 PHE 131 1.000 13.960 29.593 18.868 -99.200 -91.000 PHE 150 1.000 16.378 43.672 17.440 -99.200 -91.000 TYR 153 0.840 10.459 41.063 20.446 -99.200 -91.000 HIS 165 0.900 24.012 32.267 6.452 -99.200 -91.000 PHE 169 1.000 18.785 23.964 9.688 -99.200 -91.000 HIS 199 0.900 3.960 29.779 21.937 -99.200 -91.000 TYR 201 0.840 7.598 28.987 18.669 -99.200 -91.000 TYR 216 0.840 2.783 34.416 7.870 -99.200 -91.000 HIS 224 0.900 -3.053 33.673 8.359 -99.200 -91.000 HIS 228 0.900 4.918 27.188 -2.352 -99.200 -91.000 TYR 234 0.840 14.023 22.282 -3.970 -99.200 -91.000 TYR 241 0.840 5.990 24.872 2.075 -99.200 -91.000 HIS 247 0.900 -0.613 29.964 5.645 -99.200 -91.000