============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 3 0.900 -19.633 6.306 27.280 -99.200 -91.000 TRP 8 1.040 -10.650 11.279 26.468 -99.200 -91.000 TRP6 8 1.020 -10.282 12.921 28.131 -99.200 -91.000 PHE 10 1.000 -13.958 3.541 34.759 -99.200 -91.000 PHE 11 1.000 -7.039 3.054 38.528 -99.200 -91.000 TYR 16 0.840 -6.943 8.706 34.770 -99.200 -91.000 PHE 17 1.000 -6.252 13.213 24.782 -99.200 -91.000 TRP 25 1.040 3.091 21.854 33.954 -99.200 -91.000 TRP6 25 1.020 2.125 23.582 35.250 -99.200 -91.000 HIS 26 0.900 3.689 27.871 32.323 -99.200 -91.000 PHE 50 1.000 -5.064 3.889 34.637 -99.200 -91.000 PHE 61 1.000 11.513 11.466 28.864 -99.200 -91.000 TRP 63 1.040 4.535 19.114 30.093 -99.200 -91.000 TRP6 63 1.020 6.502 19.494 31.343 -99.200 -91.000 TRP 75 1.040 8.229 19.760 43.786 -99.200 -91.000 TRP6 75 1.020 8.366 20.088 41.447 -99.200 -91.000 TRP 77 1.040 -0.678 17.088 43.643 -99.200 -91.000 TRP6 77 1.020 0.048 15.769 41.817 -99.200 -91.000 PHE 87 1.000 0.537 10.602 46.261 -99.200 -91.000 TYR 90 0.840 4.442 7.401 44.080 -99.200 -91.000 TRP 91 1.040 9.798 14.244 43.698 -99.200 -91.000 TRP6 91 1.020 9.255 15.505 41.769 -99.200 -91.000 PHE 107 1.000 2.762 10.718 35.165 -99.200 -91.000 TRP 112 1.040 5.764 11.049 39.641 -99.200 -91.000 TRP6 112 1.020 4.777 12.088 41.520 -99.200 -91.000 TYR 122 0.840 4.545 12.647 23.296 -99.200 -91.000 TRP 123 1.040 -2.096 17.315 26.985 -99.200 -91.000 TRP6 123 1.020 -1.394 18.062 24.860 -99.200 -91.000