============================================================================= 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 30 0.840 53.215 27.680 41.034 -99.200 -91.000 TYR 32 0.840 52.499 21.169 41.456 -99.200 -91.000 TRP 35 1.040 51.124 16.488 28.437 -99.200 -91.000 TRP6 35 1.020 49.627 17.488 26.909 -99.200 -91.000 TYR 36 0.840 46.448 11.141 32.635 -99.200 -91.000 TYR 49 0.840 55.677 11.542 37.147 -99.200 -91.000 PHE 62 1.000 54.804 9.238 23.377 -99.200 -91.000 PHE 71 1.000 51.773 23.594 31.761 -99.200 -91.000 PHE 83 1.000 49.420 7.696 13.974 -99.200 -91.000 TYR 86 0.840 48.606 10.986 22.433 -99.200 -91.000 TYR 87 0.840 41.110 12.595 26.753 -99.200 -91.000 HIS 90 0.900 44.249 21.249 37.779 -99.200 -91.000 HIS 91 0.900 50.570 16.638 38.639 -99.200 -91.000 TYR 92 0.840 48.365 24.937 42.141 -99.200 -91.000 PHE 98 1.000 41.174 14.089 33.488 -99.200 -91.000 PHE 118 1.000 21.917 -2.081 1.538 -99.200 -91.000 PHE 135 1.000 25.034 -0.526 5.952 -99.200 -91.000 PHE 139 1.000 33.788 8.073 5.465 -99.200 -91.000 TYR 140 0.840 42.523 9.793 5.717 -99.200 -91.000 TRP 148 1.040 19.089 9.956 4.994 -99.200 -91.000 TRP6 148 1.020 18.711 7.932 3.847 -99.200 -91.000 TRP 163 1.040 29.723 9.511 11.757 -99.200 -91.000 TRP6 163 1.020 28.046 10.373 13.200 -99.200 -91.000 TYR 173 0.840 38.433 8.120 10.173 -99.200 -91.000 TYR 186 0.840 9.295 2.960 2.062 -99.200 -91.000 HIS 189 0.900 6.876 11.290 1.394 -99.200 -91.000 TYR 192 0.840 11.652 7.033 0.493 -99.200 -91.000 HIS 198 0.900 35.541 11.850 1.498 -99.200 -91.000 PHE 209 1.000 14.678 3.138 -1.784 -99.200 -91.000