============================================================================= 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 25.674 -6.505 59.045 -99.200 -91.000 TYR 18 0.840 42.256 -5.639 48.577 -99.200 -91.000 TYR 24 0.840 44.411 5.908 47.275 -99.200 -91.000 TYR 25 0.840 49.977 -0.314 50.505 -99.200 -91.000 HIS 31 0.900 38.781 -0.715 57.537 -99.200 -91.000 PHE 67 1.000 30.704 -6.459 55.989 -99.200 -91.000 TYR 88 0.840 15.801 5.495 58.018 -99.200 -91.000 TRP 96 1.040 18.390 2.263 55.369 -99.200 -91.000 TRP6 96 1.020 18.248 1.627 57.643 -99.200 -91.000 PHE 104 1.000 31.219 -1.331 53.549 -99.200 -91.000 PHE 114 1.000 25.620 9.570 43.658 -99.200 -91.000 TRP 126 1.040 10.159 2.900 44.243 -99.200 -91.000 TRP6 126 1.020 11.365 3.920 45.999 -99.200 -91.000 TRP 138 1.040 28.218 3.854 42.487 -99.200 -91.000 TRP6 138 1.020 25.911 3.400 42.305 -99.200 -91.000 TYR 139 0.840 25.791 1.814 35.175 -99.200 -91.000 PHE 153 1.000 18.902 2.877 45.890 -99.200 -91.000 TRP 158 1.040 16.916 -8.908 49.313 -99.200 -91.000 TRP6 158 1.020 18.734 -7.447 49.636 -99.200 -91.000 TYR 161 0.840 23.006 -7.713 45.415 -99.200 -91.000