============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TRP 2 1.040 10.337 23.330 -12.852 -99.200 -91.000 TRP6 2 1.020 10.957 25.447 -12.010 -99.200 -91.000 TYR 5 0.840 16.282 26.255 -13.017 -99.200 -91.000 TRP 30 1.040 6.334 21.936 -9.342 -99.200 -91.000 TRP6 30 1.020 6.390 24.252 -9.780 -99.200 -91.000 PHE 36 1.000 15.757 17.308 0.754 -99.200 -91.000 PHE 50 1.000 8.448 29.908 2.231 -99.200 -91.000 PHE 57 1.000 11.578 32.811 14.023 -99.200 -91.000 TYR 68 0.840 16.505 20.796 8.911 -99.200 -91.000 TYR 79 0.840 17.685 32.130 5.233 -99.200 -91.000 HIS 100 0.900 20.864 19.138 4.805 -99.200 -91.000 TYR 101 0.840 23.453 25.218 5.891 -99.200 -91.000 TYR 120 0.840 18.195 32.619 -13.995 -99.200 -91.000 TYR 126 0.840 9.406 29.407 -14.491 -99.200 -91.000