============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 8 0.840 41.149 45.324 -0.548 -99.200 -91.000 TRP 16 1.040 55.285 47.837 8.384 -99.200 -91.000 TRP6 16 1.020 57.270 46.780 7.669 -99.200 -91.000 TYR 19 0.840 55.424 51.441 -6.017 -99.200 -91.000 TYR 24 0.840 59.257 49.314 -0.047 -99.200 -91.000 PHE 26 1.000 57.185 55.784 6.915 -99.200 -91.000 PHE 27 1.000 60.486 50.840 12.031 -99.200 -91.000 TRP 33 1.040 73.506 47.710 8.796 -99.200 -91.000 TRP6 33 1.020 73.442 45.392 9.287 -99.200 -91.000 TYR 34 0.840 76.854 45.731 14.042 -99.200 -91.000 TYR 51 0.840 62.977 43.534 -6.045 -99.200 -91.000 TYR 65 0.840 73.050 60.991 3.432 -99.200 -91.000 HIS 66 0.900 66.038 57.585 5.564 -99.200 -91.000 TRP 67 1.040 71.813 52.306 9.829 -99.200 -91.000 TRP6 67 1.020 73.980 52.312 8.877 -99.200 -91.000 HIS 72 0.900 83.899 44.288 2.137 -99.200 -91.000 TRP 79 1.040 80.717 47.119 -0.533 -99.200 -91.000 TRP6 79 1.020 79.997 48.083 1.503 -99.200 -91.000 TRP 81 1.040 71.222 43.092 -1.455 -99.200 -91.000 TRP6 81 1.020 70.791 45.363 -0.966 -99.200 -91.000 TYR 105 0.840 67.796 54.547 -1.443 -99.200 -91.000 PHE 109 1.000 66.587 52.949 -7.575 -99.200 -91.000 TYR 112 0.840 75.592 59.109 -0.075 -99.200 -91.000 TYR 122 0.840 65.368 51.237 12.071 -99.200 -91.000