============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 37.665 2.730 16.944 -99.200 -91.000 TYR 18 0.840 43.685 19.970 15.321 -99.200 -91.000 TYR 24 0.840 33.997 25.695 11.372 -99.200 -91.000 TYR 25 0.840 39.625 28.265 17.958 -99.200 -91.000 HIS 31 0.900 35.580 16.140 20.586 -99.200 -91.000 PHE 67 1.000 39.565 7.981 16.469 -99.200 -91.000 TYR 88 0.840 26.689 1.325 8.854 -99.200 -91.000 PHE 104 1.000 35.679 11.434 13.567 -99.200 -91.000 PHE 114 1.000 28.060 13.817 -0.052 -99.200 -91.000 TRP 126 1.040 30.459 -1.579 -5.700 -99.200 -91.000 TRP6 126 1.020 29.298 -0.915 -3.753 -99.200 -91.000 TRP 138 1.040 34.149 14.758 1.654 -99.200 -91.000 TRP6 138 1.020 33.877 12.714 0.498 -99.200 -91.000 TYR 139 0.840 37.353 15.098 -5.792 -99.200 -91.000 PHE 153 1.000 31.475 5.011 0.654 -99.200 -91.000 TRP 158 1.040 40.470 -1.961 4.958 -99.200 -91.000 TRP6 158 1.020 39.491 0.022 5.784 -99.200 -91.000 TYR 161 0.840 42.175 5.293 4.218 -99.200 -91.000