============================================================================= 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. PHE 4 1.000 -70.196 29.739 54.975 -99.200 -91.000 TYR 5 0.840 -63.037 25.991 59.490 -99.200 -91.000 PHE 14 1.000 -66.494 23.798 55.583 -99.200 -91.000 PHE 21 1.000 -68.663 15.148 46.386 -99.200 -91.000 TYR 22 0.840 -64.300 12.229 47.511 -99.200 -91.000 TYR 35 0.840 -64.918 12.566 42.264 -99.200 -91.000 PHE 50 1.000 -60.980 25.011 46.998 -99.200 -91.000 TYR 54 0.840 -64.356 29.865 48.407 -99.200 -91.000 TRP 55 1.040 -66.822 27.706 52.064 -99.200 -91.000 TRP6 55 1.020 -68.332 29.428 51.426 -99.200 -91.000 TYR 61 0.840 -55.935 23.315 47.974 -99.200 -91.000 HIS 67 0.900 -51.398 31.227 43.748 -99.200 -91.000 HIS 74 0.900 -61.558 20.129 39.291 -99.200 -91.000 PHE 77 1.000 -59.970 13.937 36.878 -99.200 -91.000 PHE 87 1.000 -69.024 18.872 42.942 -99.200 -91.000 HIS 92 0.900 -77.848 20.968 45.687 -99.200 -91.000 HIS 107 0.900 -73.839 31.444 58.091 -99.200 -91.000 TYR 114 0.840 -67.414 27.976 46.339 -99.200 -91.000 HIS 120 0.900 -72.092 26.697 33.989 -99.200 -91.000 PHE 127 1.000 -68.600 14.266 23.566 -99.200 -91.000