============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 23 0.900 -35.205 1.419 44.619 -99.200 -91.000 TYR 27 0.840 -29.447 8.003 40.523 -99.200 -91.000 HIS 32 0.900 -37.738 -0.067 27.249 -99.200 -91.000 TYR 33 0.840 -42.674 -3.881 30.105 -99.200 -91.000 HIS 34 0.900 -40.186 -5.513 22.260 -99.200 -91.000 PHE 80 1.000 -38.296 15.394 32.772 -99.200 -91.000 PHE 83 1.000 -39.993 7.929 39.357 -99.200 -91.000 PHE 96 1.000 -25.852 -11.234 20.593 -99.200 -91.000 TYR 97 0.840 -31.951 -10.457 15.115 -99.200 -91.000 PHE 122 1.000 -30.166 11.148 16.811 -99.200 -91.000 PHE 128 1.000 -30.904 12.926 30.360 -99.200 -91.000 PHE 152 1.000 -23.791 -12.750 16.162 -99.200 -91.000 TYR 155 0.840 -24.497 -6.753 19.260 -99.200 -91.000 HIS 160 0.900 -16.945 0.542 15.343 -99.200 -91.000 TYR 176 0.840 -26.993 22.451 25.960 -99.200 -91.000 TRP 202 1.040 -18.512 -18.905 23.213 -99.200 -91.000 TRP6 202 1.020 -17.105 -18.190 21.442 -99.200 -91.000 PHE 224 1.000 -15.729 5.943 38.273 -99.200 -91.000 TYR 232 0.840 -11.964 17.423 33.848 -99.200 -91.000 HIS 248 0.900 -2.238 -13.956 20.687 -99.200 -91.000