============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 24 1.000 43.802 51.913 50.589 -99.200 -91.000 PHE 36 1.000 41.286 39.376 63.303 -99.200 -91.000 TYR 39 0.840 42.935 29.948 60.503 -99.200 -91.000 HIS 53 0.900 39.676 21.528 58.371 -99.200 -91.000 HIS 56 0.900 39.854 20.510 69.149 -99.200 -91.000 TYR 64 0.840 24.178 32.440 69.638 -99.200 -91.000 PHE 70 1.000 35.695 31.363 63.909 -99.200 -91.000 HIS 79 0.900 46.299 45.911 74.453 -99.200 -91.000 TYR 88 0.840 52.323 49.501 59.378 -99.200 -91.000 TYR 96 0.840 37.364 43.970 62.937 -99.200 -91.000 TYR 103 0.840 30.809 32.353 56.852 -99.200 -91.000 HIS 109 0.900 18.454 27.283 57.751 -99.200 -91.000 TRP 119 1.040 25.569 36.589 71.617 -99.200 -91.000 TRP6 119 1.020 27.535 35.657 70.681 -99.200 -91.000 PHE 125 1.000 31.636 45.970 65.757 -99.200 -91.000 TRP 135 1.040 35.785 53.533 54.039 -99.200 -91.000 TRP6 135 1.020 33.780 54.078 52.908 -99.200 -91.000 TYR 157 0.840 31.219 27.249 59.779 -99.200 -91.000 TYR 171 0.840 29.599 38.550 54.706 -99.200 -91.000 TRP 179 1.040 25.375 44.309 62.086 -99.200 -91.000 TRP6 179 1.020 27.574 43.524 62.472 -99.200 -91.000 TRP 183 1.040 28.751 47.067 55.964 -99.200 -91.000 TRP6 183 1.020 29.391 44.813 55.621 -99.200 -91.000