============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 36 0.840 -51.887 22.704 6.926 -99.200 -91.000 TRP 39 1.040 -49.643 36.152 5.107 -99.200 -91.000 TRP6 39 1.020 -48.172 37.598 3.996 -99.200 -91.000 TYR 40 0.840 -45.527 32.429 11.543 -99.200 -91.000 TYR 53 0.840 -55.865 29.687 11.741 -99.200 -91.000 PHE 59 1.000 -53.163 32.387 17.364 -99.200 -91.000 PHE 66 1.000 -52.608 43.251 10.907 -99.200 -91.000 PHE 75 1.000 -50.925 31.350 -0.988 -99.200 -91.000 TYR 90 0.840 -46.340 42.769 8.982 -99.200 -91.000 TYR 91 0.840 -39.494 37.175 8.935 -99.200 -91.000 PHE 93 1.000 -44.434 27.693 8.370 -99.200 -91.000 HIS 97 0.900 -45.688 20.939 -0.706 -99.200 -91.000 PHE 102 1.000 -40.401 30.478 9.215 -99.200 -91.000 PHE 122 1.000 -19.965 62.877 21.695 -99.200 -91.000 PHE 139 1.000 -23.066 58.688 19.785 -99.200 -91.000 PHE 143 1.000 -30.678 59.543 10.304 -99.200 -91.000 TYR 144 0.840 -39.009 59.013 7.333 -99.200 -91.000 TRP 152 1.040 -15.826 59.320 10.066 -99.200 -91.000 TRP6 152 1.020 -15.504 60.670 11.940 -99.200 -91.000 TRP 167 1.040 -28.531 53.883 9.448 -99.200 -91.000 TRP6 167 1.020 -26.783 53.065 8.163 -99.200 -91.000 TYR 177 0.840 -35.294 54.387 9.902 -99.200 -91.000 TYR 190 0.840 -6.520 61.623 17.936 -99.200 -91.000 HIS 193 0.900 -3.587 62.329 10.107 -99.200 -91.000 TYR 196 0.840 -8.587 63.229 13.576 -99.200 -91.000 HIS 202 0.900 -31.751 62.723 6.085 -99.200 -91.000 PHE 213 1.000 -12.130 65.885 17.293 -99.200 -91.000