============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 11 0.900 41.250 19.607 23.501 -99.200 -91.000 TYR 13 0.840 44.925 17.529 13.228 -99.200 -91.000 TYR 16 0.840 49.851 21.523 15.074 -99.200 -91.000 PHE 20 1.000 51.145 25.822 17.246 -99.200 -91.000 PHE 38 1.000 61.714 37.030 -4.554 -99.200 -91.000 TYR 41 0.840 69.557 33.480 -5.668 -99.200 -91.000 PHE 62 1.000 68.938 39.460 16.601 -99.200 -91.000 PHE 67 1.000 57.215 39.320 13.145 -99.200 -91.000 TYR 79 0.840 48.875 22.623 21.218 -99.200 -91.000 PHE 86 1.000 50.439 25.227 30.670 -99.200 -91.000 TYR 100 0.840 63.995 25.630 31.832 -99.200 -91.000 HIS 103 0.900 64.718 28.293 24.362 -99.200 -91.000 TYR 107 0.840 65.822 25.099 18.050 -99.200 -91.000 PHE 127 1.000 63.221 26.996 0.133 -99.200 -91.000 PHE 132 1.000 71.406 35.021 2.073 -99.200 -91.000 PHE 140 1.000 75.651 37.148 13.457 -99.200 -91.000 PHE 143 1.000 71.543 31.506 11.864 -99.200 -91.000 PHE 148 1.000 68.343 24.568 6.794 -99.200 -91.000 PHE 150 1.000 65.223 17.785 15.512 -99.200 -91.000 PHE 154 1.000 60.637 15.682 14.421 -99.200 -91.000 PHE 167 1.000 57.910 15.266 19.919 -99.200 -91.000 HIS 205 0.900 52.702 7.764 10.971 -99.200 -91.000 PHE 212 1.000 55.452 6.209 23.053 -99.200 -91.000 HIS 229 0.900 69.835 29.988 18.711 -99.200 -91.000 HIS 246 0.900 59.878 40.847 22.121 -99.200 -91.000 TYR 253 0.840 67.416 32.106 24.225 -99.200 -91.000