============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 2 0.840 39.771 43.275 44.242 -99.200 -91.000 TYR 31 0.840 44.689 54.621 39.624 -99.200 -91.000 TRP 34 1.040 49.721 44.236 33.724 -99.200 -91.000 TRP6 34 1.020 49.093 41.945 33.641 -99.200 -91.000 TYR 35 0.840 54.906 44.729 40.032 -99.200 -91.000 TYR 36 0.840 60.301 39.186 32.368 -99.200 -91.000 TYR 48 0.840 53.249 54.413 36.181 -99.200 -91.000 PHE 51 1.000 46.978 55.068 30.661 -99.200 -91.000 TYR 85 0.840 55.436 38.642 31.138 -99.200 -91.000 TYR 86 0.840 54.169 36.802 39.448 -99.200 -91.000 TRP 90 1.040 47.830 49.185 45.951 -99.200 -91.000 TRP6 90 1.020 49.086 49.335 47.933 -99.200 -91.000 PHE 102 1.000 52.352 41.223 44.259 -99.200 -91.000 PHE 123 1.000 68.284 4.344 34.393 -99.200 -91.000 PHE 144 1.000 60.413 17.621 28.503 -99.200 -91.000 TYR 145 0.840 59.962 23.783 22.578 -99.200 -91.000 TRP 153 1.040 56.240 8.563 39.868 -99.200 -91.000 TRP6 153 1.020 57.938 6.911 39.728 -99.200 -91.000 TYR 177 0.840 63.305 23.712 27.830 -99.200 -91.000 TYR 182 0.840 64.931 11.284 41.769 -99.200 -91.000 TRP 190 1.040 62.055 -3.512 43.749 -99.200 -91.000 TRP6 190 1.020 60.949 -2.650 41.834 -99.200 -91.000 HIS 193 0.900 53.090 -2.951 45.862 -99.200 -91.000 TYR 196 0.840 56.023 -0.142 42.727 -99.200 -91.000 HIS 202 0.900 55.272 17.419 25.801 -99.200 -91.000