============================================================================= 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 5 1.000 5.882 17.946 36.498 -99.200 -91.000 PHE 13 1.000 1.053 10.656 34.969 -99.200 -91.000 PHE 17 1.000 1.602 14.493 26.016 -99.200 -91.000 PHE 18 1.000 -1.759 23.403 25.611 -99.200 -91.000 HIS 26 0.900 10.073 15.412 17.116 -99.200 -91.000 PHE 30 1.000 11.692 9.243 27.953 -99.200 -91.000 TYR 40 0.840 7.909 10.769 19.895 -99.200 -91.000 HIS 41 0.900 0.628 12.162 21.758 -99.200 -91.000 PHE 63 1.000 9.563 18.152 32.481 -99.200 -91.000 PHE 91 1.000 -11.412 21.271 46.531 -99.200 -91.000 PHE 95 1.000 -5.140 20.939 37.643 -99.200 -91.000 HIS 104 0.900 11.215 32.064 14.748 -99.200 -91.000 TYR 108 0.840 11.624 30.090 27.677 -99.200 -91.000 TRP 117 1.040 -1.424 13.804 41.138 -99.200 -91.000 TRP6 117 1.020 0.103 15.334 40.150 -99.200 -91.000