============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 7.117 23.378 22.707 -99.200 -91.000 TYR 20 0.840 20.008 21.785 35.989 -99.200 -91.000 TRP 28 1.040 19.066 19.962 28.445 -99.200 -91.000 TRP6 28 1.020 18.297 18.292 29.935 -99.200 -91.000 TRP 34 1.040 16.979 11.339 17.808 -99.200 -91.000 TRP6 34 1.020 16.385 10.084 15.909 -99.200 -91.000 TYR 38 0.840 11.969 18.584 18.293 -99.200 -91.000 TYR 45 0.840 1.452 -0.524 29.976 -99.200 -91.000 TYR 54 0.840 2.777 9.300 32.192 -99.200 -91.000 PHE 57 1.000 12.634 17.336 28.108 -99.200 -91.000 TYR 63 0.840 13.419 3.912 38.744 -99.200 -91.000 TRP 64 1.040 12.809 9.586 36.649 -99.200 -91.000 TRP6 64 1.020 14.426 10.458 38.153 -99.200 -91.000 HIS 78 0.900 8.774 17.814 44.197 -99.200 -91.000 TRP 109 1.040 15.296 10.721 29.370 -99.200 -91.000 TRP6 109 1.020 16.196 12.508 30.647 -99.200 -91.000 TRP 112 1.040 21.977 12.436 25.285 -99.200 -91.000 TRP6 112 1.020 24.076 11.706 26.126 -99.200 -91.000 TYR 124 0.840 19.247 17.096 16.926 -99.200 -91.000