============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 68.136 12.070 45.056 -99.200 -91.000 PHE 29 1.000 62.025 15.384 44.461 -99.200 -91.000 TYR 32 0.840 67.705 7.782 41.546 -99.200 -91.000 HIS 35 0.900 59.175 3.466 46.969 -99.200 -91.000 TRP 36 1.040 56.428 9.664 51.391 -99.200 -91.000 TRP6 36 1.020 56.967 11.366 52.944 -99.200 -91.000 TRP 47 1.040 55.596 1.080 49.783 -99.200 -91.000 TRP6 47 1.020 53.850 0.859 48.190 -99.200 -91.000 TYR 52 0.840 58.980 9.591 37.320 -99.200 -91.000 TYR 60 0.840 48.418 7.246 47.389 -99.200 -91.000 PHE 64 1.000 49.317 2.738 55.800 -99.200 -91.000 TYR 80 0.840 55.757 19.373 50.236 -99.200 -91.000 TYR 93 0.840 53.407 8.265 59.684 -99.200 -91.000 PHE 94 1.000 61.830 5.914 59.742 -99.200 -91.000 PHE 104 1.000 61.824 1.282 49.945 -99.200 -91.000 TYR 106 0.840 71.695 7.482 49.876 -99.200 -91.000 TRP 107 1.040 65.689 3.563 54.346 -99.200 -91.000 TRP6 107 1.020 63.638 2.622 55.058 -99.200 -91.000 TYR 126 0.840 51.827 11.489 92.498 -99.200 -91.000 TYR 149 0.840 55.564 12.831 81.082 -99.200 -91.000 PHE 150 1.000 50.540 15.525 74.740 -99.200 -91.000 TRP 158 1.040 67.227 8.616 90.603 -99.200 -91.000 TRP6 158 1.020 65.547 8.556 92.263 -99.200 -91.000 HIS 168 0.900 68.088 -0.540 85.977 -99.200 -91.000 PHE 170 1.000 62.121 0.613 84.918 -99.200 -91.000 TYR 179 0.840 53.640 10.589 76.171 -99.200 -91.000 TRP 192 1.040 66.249 6.849 101.802 -99.200 -91.000 TRP6 192 1.020 64.707 5.248 102.610 -99.200 -91.000 HIS 203 0.900 56.519 18.473 80.598 -99.200 -91.000