============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 14 0.840 56.278 52.570 -6.455 -99.200 -91.000 TRP 22 1.040 52.035 39.898 -6.791 -99.200 -91.000 TRP6 22 1.020 50.344 38.636 -5.723 -99.200 -91.000 TYR 30 0.840 44.384 31.451 -9.266 -99.200 -91.000 TYR 63 0.840 34.825 44.573 -4.324 -99.200 -91.000 HIS 67 0.900 38.712 31.743 0.738 -99.200 -91.000 PHE 81 1.000 54.440 54.268 11.315 -99.200 -91.000 TYR 110 0.840 61.224 37.036 7.143 -99.200 -91.000 TYR 115 0.840 63.525 52.375 11.929 -99.200 -91.000 TYR 119 0.840 61.103 48.110 14.346 -99.200 -91.000 PHE 123 1.000 57.760 44.261 10.176 -99.200 -91.000 PHE 127 1.000 53.890 40.523 9.903 -99.200 -91.000 HIS 137 0.900 47.572 29.370 5.385 -99.200 -91.000 PHE 141 1.000 58.208 39.871 2.403 -99.200 -91.000 PHE 142 1.000 54.846 39.048 -2.653 -99.200 -91.000 HIS 159 0.900 58.833 50.368 -4.350 -99.200 -91.000 TYR 173 0.840 48.737 27.496 -9.087 -99.200 -91.000 TRP 179 1.040 44.327 30.252 3.328 -99.200 -91.000 TRP6 179 1.020 43.619 32.289 2.336 -99.200 -91.000