============================================================================= 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 -34.651 1.528 45.038 -99.200 -91.000 TYR 27 0.840 -28.964 8.167 40.785 -99.200 -91.000 HIS 32 0.900 -37.322 0.031 27.550 -99.200 -91.000 TYR 33 0.840 -42.283 -3.762 30.564 -99.200 -91.000 HIS 34 0.900 -40.003 -5.421 22.668 -99.200 -91.000 PHE 80 1.000 -37.916 15.579 32.988 -99.200 -91.000 PHE 83 1.000 -39.560 8.085 39.714 -99.200 -91.000 PHE 96 1.000 -25.033 -11.200 21.106 -99.200 -91.000 TYR 97 0.840 -31.484 -10.696 15.660 -99.200 -91.000 PHE 122 1.000 -29.803 11.196 17.245 -99.200 -91.000 PHE 128 1.000 -30.539 12.939 30.526 -99.200 -91.000 PHE 152 1.000 -23.586 -12.593 16.759 -99.200 -91.000 TYR 155 0.840 -23.832 -6.834 19.390 -99.200 -91.000 HIS 160 0.900 -17.000 -0.368 15.472 -99.200 -91.000 TYR 176 0.840 -26.628 22.499 26.078 -99.200 -91.000 TRP 202 1.040 -17.953 -17.458 23.851 -99.200 -91.000 TRP6 202 1.020 -16.725 -15.806 22.689 -99.200 -91.000 PHE 224 1.000 -15.204 6.140 38.326 -99.200 -91.000 TYR 232 0.840 -11.604 17.690 33.763 -99.200 -91.000 HIS 248 0.900 -2.194 -14.738 20.536 -99.200 -91.000