============================================================================= 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. PHE 5 1.000 66.441 -2.875 5.360 -99.200 -91.000 TYR 33 0.840 66.028 18.122 7.304 -99.200 -91.000 HIS 34 0.900 64.648 13.350 6.877 -99.200 -91.000 HIS 56 0.900 43.865 -1.431 2.229 -99.200 -91.000 HIS 59 0.900 47.963 2.724 6.481 -99.200 -91.000 PHE 95 1.000 53.154 -0.294 0.338 -99.200 -91.000 TYR 109 0.840 46.673 -1.578 15.833 -99.200 -91.000 TYR 110 0.840 40.514 -2.469 21.544 -99.200 -91.000 PHE 119 1.000 56.234 -18.724 14.864 -99.200 -91.000 HIS 121 0.900 49.838 -9.787 12.759 -99.200 -91.000 PHE 122 1.000 54.703 -9.169 13.771 -99.200 -91.000 HIS 128 0.900 50.193 -14.836 2.773 -99.200 -91.000 TYR 136 0.840 56.847 0.414 16.026 -99.200 -91.000 HIS 174 0.900 74.577 -7.541 24.448 -99.200 -91.000 PHE 184 1.000 66.276 -9.855 14.166 -99.200 -91.000 PHE 197 1.000 68.263 -0.724 20.795 -99.200 -91.000 HIS 203 0.900 72.859 -4.281 14.751 -99.200 -91.000 PHE 229 1.000 80.257 3.418 21.796 -99.200 -91.000 HIS 243 0.900 67.327 12.428 21.368 -99.200 -91.000 PHE 247 1.000 58.610 11.098 21.712 -99.200 -91.000 TRP 257 1.040 54.733 24.758 16.734 -99.200 -91.000 TRP6 257 1.020 56.798 25.377 17.653 -99.200 -91.000 HIS 280 0.900 53.135 23.200 29.694 -99.200 -91.000 HIS 291 0.900 69.993 21.940 25.243 -99.200 -91.000