============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 4 1.040 37.473 97.555 44.764 -99.200 -91.000 TRP6 4 1.020 37.213 96.869 47.015 -99.200 -91.000 PHE 31 1.000 53.749 98.297 73.839 -99.200 -91.000 TRP 51 1.040 43.365 100.284 74.135 -99.200 -91.000 TRP6 51 1.020 42.425 102.389 73.619 -99.200 -91.000 TRP 56 1.040 53.169 97.992 58.602 -99.200 -91.000 TRP6 56 1.020 51.478 97.488 60.202 -99.200 -91.000 TYR 60 0.840 53.000 96.997 47.450 -99.200 -91.000 TYR 61 0.840 50.523 97.972 51.818 -99.200 -91.000 TRP 81 1.040 53.912 90.956 57.287 -99.200 -91.000 TRP6 81 1.020 54.623 92.758 58.652 -99.200 -91.000 PHE 87 1.000 51.231 91.058 74.546 -99.200 -91.000 TYR 88 0.840 59.757 88.501 72.491 -99.200 -91.000 TYR 112 0.840 46.746 95.104 64.196 -99.200 -91.000 PHE 120 1.000 52.075 90.657 83.119 -99.200 -91.000 TRP 142 1.040 57.408 82.917 68.334 -99.200 -91.000 TRP6 142 1.020 58.036 83.115 70.602 -99.200 -91.000 HIS 144 0.900 58.260 88.707 60.293 -99.200 -91.000 PHE 149 1.000 58.554 93.509 63.536 -99.200 -91.000 TYR 164 0.840 43.635 106.926 76.153 -99.200 -91.000 PHE 165 1.000 45.681 101.665 85.674 -99.200 -91.000 PHE 170 1.000 44.564 95.567 91.360 -99.200 -91.000 TYR 184 0.840 65.273 85.377 71.516 -99.200 -91.000 TYR 191 0.840 64.142 86.965 66.385 -99.200 -91.000 PHE 198 1.000 52.380 96.815 84.946 -99.200 -91.000 PHE 200 1.000 49.914 95.566 90.174 -99.200 -91.000