============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 166.551 -40.069 -15.231 -99.200 -91.000 HIS 2 0.900 162.391 -47.413 -17.184 -99.200 -91.000 TYR 30 0.840 145.400 -20.623 -43.649 -99.200 -91.000 TRP 36 1.040 149.623 -11.971 -53.282 -99.200 -91.000 TRP6 36 1.020 147.548 -10.995 -53.868 -99.200 -91.000 TYR 38 0.840 148.262 -7.233 -43.113 -99.200 -91.000 HIS 40 0.900 149.699 -8.061 -54.039 -99.200 -91.000 PHE 48 1.000 139.518 -14.959 -41.652 -99.200 -91.000 PHE 50 1.000 149.764 -11.883 -37.440 -99.200 -91.000 HIS 52 0.900 142.701 -20.194 -39.983 -99.200 -91.000 TYR 57 0.840 153.411 -21.973 -32.661 -99.200 -91.000 HIS 59 0.900 143.664 -25.025 -33.767 -99.200 -91.000 PHE 66 1.000 146.776 -36.775 -26.021 -99.200 -91.000 HIS 84 0.900 157.137 -17.013 -53.417 -99.200 -91.000 PHE 86 1.000 149.343 -17.250 -52.248 -99.200 -91.000 PHE 93 1.000 140.012 -15.470 -47.798 -99.200 -91.000 TYR 97 0.840 135.472 -24.770 -48.538 -99.200 -91.000 HIS 99 0.900 146.082 -26.039 -45.669 -99.200 -91.000 HIS 102 0.900 145.484 -32.445 -46.511 -99.200 -91.000 HIS 113 0.900 144.383 -44.859 -38.985 -99.200 -91.000 HIS 120 0.900 137.377 -45.682 -27.582 -99.200 -91.000 PHE 123 1.000 136.062 -40.590 -30.408 -99.200 -91.000 PHE 125 1.000 144.490 -33.721 -27.077 -99.200 -91.000 TRP 128 1.040 141.208 -30.138 -28.121 -99.200 -91.000 TRP6 128 1.020 142.487 -28.813 -29.613 -99.200 -91.000 TYR 129 0.840 143.241 -30.594 -34.417 -99.200 -91.000 HIS 134 0.900 131.456 -28.280 -38.748 -99.200 -91.000 PHE 140 1.000 139.891 -19.912 -43.844 -99.200 -91.000 HIS 155 0.900 133.328 1.474 -56.272 -99.200 -91.000 TYR 158 0.840 136.093 -0.136 -49.426 -99.200 -91.000 TYR 163 0.840 131.172 -10.713 -45.008 -99.200 -91.000