============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 55.334 73.227 38.917 -99.200 -91.000 PHE 29 1.000 50.106 73.907 43.286 -99.200 -91.000 TYR 32 0.840 60.512 73.087 41.913 -99.200 -91.000 PHE 33 1.000 57.937 79.735 48.611 -99.200 -91.000 TRP 36 1.040 50.095 84.647 42.902 -99.200 -91.000 TRP6 36 1.020 48.530 84.287 41.172 -99.200 -91.000 HIS 43 0.900 51.867 102.555 36.565 -99.200 -91.000 TRP 47 1.040 57.853 89.063 43.678 -99.200 -91.000 TRP6 47 1.020 57.624 88.414 45.947 -99.200 -91.000 PHE 60 1.000 50.686 88.015 51.922 -99.200 -91.000 PHE 64 1.000 50.945 94.964 45.781 -99.200 -91.000 PHE 70 1.000 50.138 86.338 47.416 -99.200 -91.000 TYR 80 0.840 42.206 79.088 43.199 -99.200 -91.000 TYR 93 0.840 46.896 91.811 39.275 -99.200 -91.000 TYR 94 0.840 52.272 88.878 32.904 -99.200 -91.000 TRP 103 1.040 67.715 75.906 32.000 -99.200 -91.000 TRP6 103 1.020 69.227 76.174 30.228 -99.200 -91.000 PHE 104 1.000 65.438 73.651 35.161 -99.200 -91.000 TYR 106 0.840 58.880 76.579 32.414 -99.200 -91.000 TRP 107 1.040 57.620 85.067 34.515 -99.200 -91.000 TRP6 107 1.020 57.258 87.311 35.158 -99.200 -91.000 TYR 126 0.840 29.566 99.082 12.968 -99.200 -91.000 TYR 149 0.840 36.294 96.354 22.862 -99.200 -91.000 PHE 150 1.000 34.682 98.957 30.729 -99.200 -91.000 TRP 158 1.040 41.815 90.060 9.562 -99.200 -91.000 TRP6 158 1.020 40.116 91.154 8.371 -99.200 -91.000 HIS 168 0.900 50.272 96.286 10.104 -99.200 -91.000 PHE 170 1.000 46.659 99.851 13.461 -99.200 -91.000 TYR 179 0.840 38.764 99.790 26.563 -99.200 -91.000 HIS 203 0.900 33.500 92.246 24.989 -99.200 -91.000