============================================================================= 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 14 0.900 58.801 -4.795 75.965 -99.200 -91.000 TYR 22 0.840 48.098 -2.370 85.336 -99.200 -91.000 HIS 24 0.900 44.850 -11.257 81.238 -99.200 -91.000 HIS 34 0.900 56.504 -2.196 93.094 -99.200 -91.000 PHE 37 1.000 52.788 1.626 86.590 -99.200 -91.000 TRP 46 1.040 43.782 11.070 85.122 -99.200 -91.000 TRP6 46 1.020 45.601 10.094 86.197 -99.200 -91.000 HIS 65 0.900 47.272 2.611 94.717 -99.200 -91.000 TRP 68 1.040 44.252 2.064 100.230 -99.200 -91.000 TRP6 68 1.020 43.146 2.276 98.182 -99.200 -91.000 PHE 73 1.000 39.194 -1.471 95.747 -99.200 -91.000 TRP 76 1.040 39.671 -5.301 90.511 -99.200 -91.000 TRP6 76 1.020 37.599 -4.367 91.030 -99.200 -91.000 TRP 78 1.040 42.045 -5.292 86.294 -99.200 -91.000 TRP6 78 1.020 40.851 -3.330 86.738 -99.200 -91.000 PHE 84 1.000 39.581 -1.190 71.977 -99.200 -91.000 TRP 91 1.040 47.814 6.772 74.918 -99.200 -91.000 TRP6 91 1.020 48.005 9.118 74.714 -99.200 -91.000 PHE 92 1.000 49.733 -0.927 73.389 -99.200 -91.000 TRP 93 1.040 43.294 5.035 74.756 -99.200 -91.000 TRP6 93 1.020 42.466 6.330 76.555 -99.200 -91.000 PHE 104 1.000 37.380 2.199 99.553 -99.200 -91.000 TYR 107 0.840 32.415 4.852 103.008 -99.200 -91.000 TYR 112 0.840 34.031 -0.488 92.286 -99.200 -91.000 HIS 115 0.900 32.902 0.167 80.315 -99.200 -91.000 PHE 116 1.000 36.845 -0.609 86.589 -99.200 -91.000 HIS 118 0.900 42.400 0.177 83.739 -99.200 -91.000 PHE 120 1.000 47.441 -0.017 80.995 -99.200 -91.000 PHE 122 1.000 53.396 0.290 77.745 -99.200 -91.000 PHE 133 1.000 40.515 8.243 81.916 -99.200 -91.000 PHE 140 1.000 29.684 8.513 94.489 -99.200 -91.000