============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 11 1.000 97.156 -81.130 71.928 -99.200 -91.000 HIS 12 0.900 89.194 -78.515 70.823 -99.200 -91.000 HIS 27 0.900 102.088 -60.271 67.354 -99.200 -91.000 PHE 28 1.000 107.202 -53.570 61.201 -99.200 -91.000 TYR 30 0.840 108.637 -55.828 54.880 -99.200 -91.000 PHE 51 1.000 104.762 -90.187 41.507 -99.200 -91.000 PHE 59 1.000 104.833 -74.071 44.267 -99.200 -91.000 PHE 62 1.000 111.650 -75.956 45.749 -99.200 -91.000 PHE 63 1.000 106.916 -70.956 49.492 -99.200 -91.000 PHE 74 1.000 119.246 -59.792 57.336 -99.200 -91.000 TYR 90 0.840 121.388 -62.910 69.057 -99.200 -91.000 HIS 94 0.900 118.824 -71.326 60.688 -99.200 -91.000 PHE 120 1.000 114.395 -86.605 48.480 -99.200 -91.000 PHE 148 1.000 111.336 -67.616 60.713 -99.200 -91.000 TYR 160 0.840 99.517 -58.534 50.861 -99.200 -91.000 PHE 184 1.000 103.430 -53.034 32.631 -99.200 -91.000 TRP 200 1.040 108.160 -61.816 55.974 -99.200 -91.000 TRP6 200 1.020 108.834 -64.068 56.276 -99.200 -91.000 HIS 204 0.900 109.626 -52.380 65.584 -99.200 -91.000 PHE 215 1.000 113.928 -63.739 57.085 -99.200 -91.000 TRP 219 1.040 111.625 -66.556 52.393 -99.200 -91.000 TRP6 219 1.020 109.529 -66.010 51.477 -99.200 -91.000 TYR 222 0.840 119.258 -66.962 49.479 -99.200 -91.000 PHE 228 1.000 120.581 -64.222 42.856 -99.200 -91.000