============================================================================= 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 7.100 23.390 22.702 -99.200 -91.000 TYR 20 0.840 20.001 21.763 35.984 -99.200 -91.000 TRP 28 1.040 19.075 19.951 28.451 -99.200 -91.000 TRP6 28 1.020 18.296 18.286 29.948 -99.200 -91.000 TRP 34 1.040 16.971 11.321 17.814 -99.200 -91.000 TRP6 34 1.020 16.377 10.083 15.905 -99.200 -91.000 TYR 38 0.840 11.962 18.590 18.269 -99.200 -91.000 TYR 45 0.840 1.452 -0.526 29.992 -99.200 -91.000 TYR 54 0.840 2.758 9.289 32.177 -99.200 -91.000 PHE 57 1.000 12.612 17.351 28.109 -99.200 -91.000 TYR 63 0.840 13.399 3.980 38.675 -99.200 -91.000 TRP 64 1.040 12.816 9.579 36.623 -99.200 -91.000 TRP6 64 1.020 14.458 10.451 38.108 -99.200 -91.000 HIS 78 0.900 8.949 17.682 44.312 -99.200 -91.000 TRP 109 1.040 15.269 10.722 29.379 -99.200 -91.000 TRP6 109 1.020 16.187 12.490 30.661 -99.200 -91.000 TRP 112 1.040 21.952 12.459 25.273 -99.200 -91.000 TRP6 112 1.020 24.051 11.720 26.114 -99.200 -91.000 TYR 124 0.840 19.204 17.060 16.928 -99.200 -91.000