============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 17.663 5.834 65.599 -99.200 -91.000 TYR 27 0.840 21.266 -14.704 57.604 -99.200 -91.000 PHE 45 1.000 31.493 3.357 74.573 -99.200 -91.000 PHE 60 1.000 25.465 5.768 67.484 -99.200 -91.000 PHE 62 1.000 22.561 9.350 65.654 -99.200 -91.000 TRP 72 1.040 20.385 11.698 63.767 -99.200 -91.000 TRP6 72 1.020 19.105 9.892 62.947 -99.200 -91.000 TRP 75 1.040 25.133 15.453 67.411 -99.200 -91.000 TRP6 75 1.020 22.782 15.536 67.191 -99.200 -91.000 TYR 86 0.840 35.414 -2.264 72.547 -99.200 -91.000 PHE 88 1.000 35.886 -2.527 67.021 -99.200 -91.000 HIS 95 0.900 13.944 2.214 58.397 -99.200 -91.000 TYR 104 0.840 25.080 14.861 55.099 -99.200 -91.000 TYR 105 0.840 31.738 7.751 60.112 -99.200 -91.000 TYR 109 0.840 33.230 13.038 59.966 -99.200 -91.000 PHE 128 1.000 21.040 7.835 49.649 -99.200 -91.000 PHE 141 1.000 17.594 7.783 39.232 -99.200 -91.000 TYR 152 0.840 28.092 17.927 52.211 -99.200 -91.000 PHE 153 1.000 24.172 12.951 50.721 -99.200 -91.000 PHE 194 1.000 25.711 10.328 46.403 -99.200 -91.000 TYR 201 0.840 24.723 2.662 43.617 -99.200 -91.000 HIS 213 0.900 10.713 5.470 54.804 -99.200 -91.000 HIS 217 0.900 13.380 -1.103 59.953 -99.200 -91.000 TYR 227 0.840 24.331 -13.928 55.626 -99.200 -91.000 TRP 228 1.040 25.085 -11.492 48.193 -99.200 -91.000 TRP6 228 1.020 25.259 -9.445 47.097 -99.200 -91.000 PHE 229 1.000 27.038 -4.265 49.996 -99.200 -91.000 PHE 233 1.000 29.920 -7.113 46.468 -99.200 -91.000 TYR 244 0.840 18.858 1.722 34.126 -99.200 -91.000