============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 8 0.840 25.819 21.518 -8.334 -99.200 -91.000 TYR 11 0.840 21.949 26.212 4.059 -99.200 -91.000 TYR 15 0.840 10.799 28.015 -7.219 -99.200 -91.000 TYR 31 0.840 18.090 5.147 -1.847 -99.200 -91.000 HIS 35 0.900 26.250 5.713 7.150 -99.200 -91.000 TYR 39 0.840 22.852 16.093 0.786 -99.200 -91.000 PHE 41 1.000 22.931 22.982 -0.067 -99.200 -91.000 PHE 46 1.000 21.589 32.030 -6.465 -99.200 -91.000 HIS 59 0.900 30.702 23.804 2.912 -99.200 -91.000 TYR 64 0.840 35.433 21.802 12.940 -99.200 -91.000 PHE 69 1.000 25.376 19.459 5.998 -99.200 -91.000 PHE 72 1.000 23.408 24.709 10.512 -99.200 -91.000 PHE 77 1.000 17.475 24.776 2.385 -99.200 -91.000 TRP 87 1.040 17.218 34.865 5.294 -99.200 -91.000 TRP6 87 1.020 17.538 32.728 6.265 -99.200 -91.000 HIS 96 0.900 18.593 28.558 12.733 -99.200 -91.000 HIS 101 0.900 19.373 21.506 22.131 -99.200 -91.000 TYR 114 0.840 29.584 31.164 11.642 -99.200 -91.000 TRP 122 1.040 36.718 32.762 4.468 -99.200 -91.000 TRP6 122 1.020 35.828 34.413 5.916 -99.200 -91.000 HIS 136 0.900 30.711 24.360 -17.843 -99.200 -91.000 PHE 144 1.000 23.287 17.763 -12.229 -99.200 -91.000 TYR 154 0.840 11.613 21.604 -7.158 -99.200 -91.000 TYR 156 0.840 12.493 8.710 -1.755 -99.200 -91.000 TYR 159 0.840 16.420 13.573 -5.620 -99.200 -91.000