============================================================================= 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 -3.107 13.601 9.683 -99.200 -91.000 HIS 15 0.900 -9.547 12.168 16.502 -99.200 -91.000 TYR 20 0.840 -11.359 21.546 24.284 -99.200 -91.000 TYR 23 0.840 -7.719 29.396 21.780 -99.200 -91.000 TRP 28 1.040 -7.598 24.039 17.889 -99.200 -91.000 TRP6 28 1.020 -6.305 23.571 19.814 -99.200 -91.000 PHE 34 1.000 3.145 28.795 10.039 -99.200 -91.000 PHE 38 1.000 -0.549 21.089 7.858 -99.200 -91.000 TYR 53 0.840 8.750 13.404 22.386 -99.200 -91.000 TRP 62 1.040 5.719 22.157 31.790 -99.200 -91.000 TRP6 62 1.020 5.920 22.461 34.119 -99.200 -91.000 TRP 63 1.040 2.242 19.887 28.571 -99.200 -91.000 TRP6 63 1.020 0.354 20.320 29.955 -99.200 -91.000 TRP 108 1.040 0.860 24.082 21.021 -99.200 -91.000 TRP6 108 1.020 -1.196 23.892 22.191 -99.200 -91.000 TRP 111 1.040 -2.565 30.136 17.960 -99.200 -91.000 TRP6 111 1.020 -3.045 31.731 19.650 -99.200 -91.000 TRP 123 1.040 -3.563 28.605 8.398 -99.200 -91.000 TRP6 123 1.020 -1.729 27.553 7.330 -99.200 -91.000