============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 19 1.000 22.849 65.787 48.840 -99.200 -91.000 PHE 24 1.000 27.709 66.484 50.972 -99.200 -91.000 TRP 28 1.040 32.200 65.892 52.384 -99.200 -91.000 TRP6 28 1.020 32.866 65.992 50.117 -99.200 -91.000 TYR 29 0.840 40.635 66.102 55.321 -99.200 -91.000 TYR 49 0.840 36.296 73.744 60.311 -99.200 -91.000 TYR 53 0.840 27.959 66.842 56.068 -99.200 -91.000 TYR 61 0.840 23.646 63.858 55.287 -99.200 -91.000 PHE 68 1.000 46.033 70.554 67.676 -99.200 -91.000 TYR 75 0.840 36.168 64.600 68.548 -99.200 -91.000 TRP 76 1.040 29.874 72.383 65.648 -99.200 -91.000 TRP6 76 1.020 28.324 73.334 67.180 -99.200 -91.000 PHE 80 1.000 24.099 70.217 58.913 -99.200 -91.000 PHE 89 1.000 20.663 68.199 53.942 -99.200 -91.000 TYR 97 0.840 22.100 73.815 68.477 -99.200 -91.000 TYR 103 0.840 22.707 76.020 60.919 -99.200 -91.000 TYR 112 0.840 27.108 63.638 45.554 -99.200 -91.000 HIS 115 0.900 34.865 69.154 43.188 -99.200 -91.000 PHE 119 1.000 23.983 80.485 51.525 -99.200 -91.000 PHE 120 1.000 27.218 75.130 56.155 -99.200 -91.000 TYR 129 0.840 26.305 86.031 62.638 -99.200 -91.000 PHE 130 1.000 26.671 85.624 53.235 -99.200 -91.000 TYR 135 0.840 32.034 70.683 53.748 -99.200 -91.000 PHE 149 1.000 35.277 78.987 48.989 -99.200 -91.000 PHE 152 1.000 28.440 80.241 45.262 -99.200 -91.000 HIS 162 0.900 34.530 89.889 55.574 -99.200 -91.000 PHE 165 1.000 41.355 79.815 49.610 -99.200 -91.000