============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 13 1.000 29.411 -0.499 10.524 -99.200 -91.000 PHE 21 1.000 36.234 -6.706 11.052 -99.200 -91.000 PHE 25 1.000 41.313 1.322 8.925 -99.200 -91.000 PHE 26 1.000 38.482 5.268 0.682 -99.200 -91.000 HIS 34 0.900 45.621 11.229 14.553 -99.200 -91.000 PHE 38 1.000 38.814 2.222 20.038 -99.200 -91.000 TYR 48 0.840 45.773 5.794 15.851 -99.200 -91.000 HIS 49 0.900 46.104 1.751 9.352 -99.200 -91.000 PHE 71 1.000 35.092 1.868 12.134 -99.200 -91.000 PHE 99 1.000 26.392 -13.546 -4.984 -99.200 -91.000 PHE 103 1.000 31.313 -5.116 -0.008 -99.200 -91.000 HIS 112 0.900 38.828 23.526 4.843 -99.200 -91.000 TYR 116 0.840 29.177 15.145 7.000 -99.200 -91.000 TRP 125 1.040 30.555 -9.635 7.316 -99.200 -91.000 TRP6 125 1.020 30.196 -7.293 7.543 -99.200 -91.000