============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 9 0.840 47.410 34.317 65.417 -99.200 -91.000 PHE 19 1.000 41.536 28.811 71.360 -99.200 -91.000 TYR 35 0.840 38.774 26.105 76.181 -99.200 -91.000 TYR 37 0.840 38.015 25.866 65.310 -99.200 -91.000 TYR 38 0.840 37.520 33.036 60.587 -99.200 -91.000 PHE 46 1.000 34.455 35.450 63.543 -99.200 -91.000 TYR 52 0.840 26.770 46.131 55.549 -99.200 -91.000 HIS 53 0.900 28.049 45.082 66.006 -99.200 -91.000 TYR 54 0.840 27.492 51.178 60.594 -99.200 -91.000 PHE 66 1.000 34.616 23.826 75.022 -99.200 -91.000 HIS 82 0.900 19.560 50.804 51.584 -99.200 -91.000 TYR 89 0.840 19.311 57.644 46.001 -99.200 -91.000 PHE 91 1.000 16.114 60.764 48.054 -99.200 -91.000 PHE 94 1.000 24.227 59.411 47.384 -99.200 -91.000 TRP 98 1.040 19.606 65.737 48.578 -99.200 -91.000 TRP6 98 1.020 20.058 64.064 46.976 -99.200 -91.000 HIS 101 0.900 15.499 65.476 52.936 -99.200 -91.000 TRP 121 1.040 31.189 22.231 61.588 -99.200 -91.000 TRP6 121 1.020 30.741 20.167 60.534 -99.200 -91.000 TYR 153 0.840 22.458 19.242 70.857 -99.200 -91.000 PHE 168 1.000 23.013 13.489 68.581 -99.200 -91.000 TRP 181 1.040 29.259 19.318 76.373 -99.200 -91.000 TRP6 181 1.020 31.275 20.246 75.571 -99.200 -91.000 TRP 182 1.040 27.484 24.632 77.078 -99.200 -91.000 TRP6 182 1.020 26.261 23.089 75.777 -99.200 -91.000 TRP 184 1.040 29.857 20.035 83.591 -99.200 -91.000 TRP6 184 1.020 29.901 17.861 82.680 -99.200 -91.000