============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 4 1.000 16.160 18.814 46.456 -99.200 -91.000 TYR 5 0.840 18.139 10.481 49.833 -99.200 -91.000 PHE 14 1.000 20.122 12.805 45.296 -99.200 -91.000 PHE 21 1.000 28.964 13.561 36.223 -99.200 -91.000 TYR 22 0.840 31.715 9.430 37.897 -99.200 -91.000 TYR 35 0.840 35.448 12.228 36.769 -99.200 -91.000 PHE 50 1.000 29.114 16.566 48.380 -99.200 -91.000 TYR 54 0.840 24.481 20.429 49.293 -99.200 -91.000 TRP 55 1.040 21.046 17.642 46.787 -99.200 -91.000 TRP6 55 1.020 20.199 19.850 46.671 -99.200 -91.000 TYR 61 0.840 31.780 12.622 50.928 -99.200 -91.000 HIS 67 0.900 33.832 18.778 58.680 -99.200 -91.000 HIS 74 0.900 36.579 18.183 43.152 -99.200 -91.000 PHE 77 1.000 41.674 14.853 39.977 -99.200 -91.000 TRP 87 1.040 31.343 17.376 37.297 -99.200 -91.000 TRP6 87 1.020 29.397 18.138 38.411 -99.200 -91.000 HIS 92 0.900 23.023 21.644 33.156 -99.200 -91.000 HIS 107 0.900 11.454 19.424 45.373 -99.200 -91.000 TYR 114 0.840 25.140 21.619 45.482 -99.200 -91.000 HIS 120 0.900 32.651 30.115 38.548 -99.200 -91.000 PHE 127 1.000 47.110 26.850 31.363 -99.200 -91.000