============================================================================= 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 5 0.840 44.877 50.962 21.176 -99.200 -91.000 PHE 7 1.000 53.587 43.172 16.991 -99.200 -91.000 TYR 12 0.840 50.918 35.635 24.117 -99.200 -91.000 TYR 13 0.840 46.440 42.477 16.516 -99.200 -91.000 PHE 26 1.000 38.465 42.889 14.731 -99.200 -91.000 PHE 31 1.000 50.521 49.475 22.278 -99.200 -91.000 TYR 32 0.840 54.856 47.842 15.595 -99.200 -91.000 HIS 55 0.900 32.601 49.681 30.743 -99.200 -91.000 PHE 57 1.000 43.872 51.918 26.326 -99.200 -91.000 TYR 67 0.840 35.204 43.229 28.683 -99.200 -91.000 PHE 83 1.000 35.856 19.684 36.137 -99.200 -91.000 TYR 98 0.840 52.928 25.220 32.949 -99.200 -91.000 TYR 107 0.840 58.552 32.986 20.154 -99.200 -91.000 PHE 111 1.000 59.397 33.748 15.591 -99.200 -91.000 PHE 112 1.000 63.149 39.156 15.586 -99.200 -91.000 PHE 131 1.000 54.913 21.031 22.128 -99.200 -91.000 PHE 140 1.000 45.318 17.682 21.619 -99.200 -91.000 TYR 143 0.840 37.458 21.788 17.161 -99.200 -91.000 PHE 155 1.000 47.024 22.789 19.128 -99.200 -91.000 PHE 157 1.000 46.534 32.266 15.527 -99.200 -91.000 PHE 174 1.000 59.338 20.563 21.256 -99.200 -91.000 PHE 178 1.000 50.586 16.437 21.469 -99.200 -91.000 HIS 192 0.900 36.350 34.170 10.275 -99.200 -91.000 PHE 205 1.000 57.784 42.585 14.644 -99.200 -91.000