============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 8 1.000 -48.479 -7.051 13.146 -99.200 -91.000 TRP 17 1.040 -48.523 -2.470 8.514 -99.200 -91.000 TRP6 17 1.020 -49.078 -2.378 10.807 -99.200 -91.000 HIS 20 0.900 -38.584 8.316 6.903 -99.200 -91.000 TYR 22 0.840 -33.400 1.255 2.532 -99.200 -91.000 TRP 26 1.040 -41.125 1.651 14.497 -99.200 -91.000 TRP6 26 1.020 -42.263 1.094 16.491 -99.200 -91.000 TYR 39 0.840 -44.914 -13.493 11.315 -99.200 -91.000 TYR 41 0.840 -43.943 -4.239 11.498 -99.200 -91.000 TRP 54 1.040 -41.922 9.034 12.005 -99.200 -91.000 TRP6 54 1.020 -44.015 10.009 12.534 -99.200 -91.000 TRP 59 1.040 -55.426 4.929 1.856 -99.200 -91.000 TRP6 59 1.020 -57.196 4.388 0.389 -99.200 -91.000 TYR 61 0.840 -63.149 1.977 0.629 -99.200 -91.000 PHE 69 1.000 -64.614 3.652 19.228 -99.200 -91.000 PHE 74 1.000 -48.298 -0.447 24.636 -99.200 -91.000 PHE 82 1.000 -32.658 -0.971 27.804 -99.200 -91.000 PHE 93 1.000 -46.187 2.862 21.248 -99.200 -91.000 TYR 96 0.840 -47.410 11.716 15.232 -99.200 -91.000 TYR 97 0.840 -55.881 11.344 12.344 -99.200 -91.000 TYR 104 0.840 -50.823 10.579 -0.441 -99.200 -91.000 PHE 108 1.000 -44.003 8.281 7.146 -99.200 -91.000 PHE 113 1.000 -48.866 9.746 8.677 -99.200 -91.000 PHE 130 1.000 -35.939 -9.117 29.103 -99.200 -91.000 HIS 134 0.900 -45.047 -11.931 34.268 -99.200 -91.000 PHE 152 1.000 -58.268 4.681 8.908 -99.200 -91.000 TYR 153 0.840 -51.442 5.873 4.150 -99.200 -91.000 PHE 156 1.000 -48.776 2.081 15.206 -99.200 -91.000 TYR 171 0.840 -63.160 -1.590 17.747 -99.200 -91.000 TYR 172 0.840 -67.448 0.633 10.350 -99.200 -91.000