============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 37 0.840 77.141 72.799 88.085 -99.200 -91.000 TRP 40 1.040 88.226 79.102 92.537 -99.200 -91.000 TRP6 40 1.020 89.866 78.587 94.166 -99.200 -91.000 TYR 41 0.840 81.935 82.330 97.318 -99.200 -91.000 TYR 54 0.840 78.992 82.076 87.189 -99.200 -91.000 TRP 55 1.040 78.217 77.365 85.997 -99.200 -91.000 TRP6 55 1.020 77.260 78.480 84.141 -99.200 -91.000 PHE 67 1.000 91.537 88.210 90.990 -99.200 -91.000 PHE 76 1.000 87.482 71.610 90.250 -99.200 -91.000 TYR 91 0.840 92.318 85.713 96.654 -99.200 -91.000 TYR 92 0.840 87.618 81.831 102.909 -99.200 -91.000 TYR 97 0.840 78.167 66.896 91.762 -99.200 -91.000 TYR 99 0.840 71.522 71.473 98.883 -99.200 -91.000 PHE 103 1.000 81.713 79.075 101.819 -99.200 -91.000 PHE 123 1.000 102.968 108.320 122.286 -99.200 -91.000 PHE 140 1.000 100.519 104.167 119.533 -99.200 -91.000 PHE 144 1.000 106.396 96.121 112.317 -99.200 -91.000 TYR 145 0.840 107.491 92.705 104.276 -99.200 -91.000 TRP 153 1.040 106.121 96.623 127.285 -99.200 -91.000 TRP6 153 1.020 106.073 98.981 127.185 -99.200 -91.000 TRP 168 1.040 101.456 92.364 115.776 -99.200 -91.000 TRP6 168 1.020 100.897 91.105 117.698 -99.200 -91.000 TYR 178 0.840 102.495 92.790 107.908 -99.200 -91.000 TYR 191 0.840 103.998 105.402 136.010 -99.200 -91.000 HIS 194 0.900 108.808 99.206 139.674 -99.200 -91.000 TYR 197 0.840 107.839 102.685 134.231 -99.200 -91.000 HIS 203 0.900 111.734 94.611 111.511 -99.200 -91.000 PHE 214 1.000 108.112 106.959 130.543 -99.200 -91.000