============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 8 1.040 9.877 53.264 14.554 -99.200 -91.000 TRP6 8 1.020 8.674 53.140 16.581 -99.200 -91.000 PHE 27 1.000 13.779 44.732 12.833 -99.200 -91.000 TYR 31 0.840 19.514 54.822 12.475 -99.200 -91.000 HIS 52 0.900 12.591 37.840 21.603 -99.200 -91.000 PHE 60 1.000 14.002 47.083 19.338 -99.200 -91.000 PHE 62 1.000 17.922 48.983 14.808 -99.200 -91.000 HIS 65 0.900 27.317 48.158 5.034 -99.200 -91.000 TRP 66 1.040 26.874 53.294 10.680 -99.200 -91.000 TRP6 66 1.020 24.807 54.418 10.857 -99.200 -91.000 PHE 68 1.000 27.711 57.526 6.861 -99.200 -91.000 PHE 75 1.000 20.927 52.136 16.915 -99.200 -91.000 PHE 80 1.000 9.466 49.377 27.691 -99.200 -91.000 TRP 93 1.040 23.708 54.353 20.447 -99.200 -91.000 TRP6 93 1.020 25.957 55.064 20.387 -99.200 -91.000 TYR 104 0.840 46.503 51.433 16.469 -99.200 -91.000 TRP 106 1.040 43.369 50.636 23.069 -99.200 -91.000 TRP6 106 1.020 42.826 52.779 23.886 -99.200 -91.000 TYR 113 0.840 20.381 58.654 25.879 -99.200 -91.000 PHE 116 1.000 15.529 54.902 17.442 -99.200 -91.000