============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 3 1.040 -15.970 -7.312 -10.403 -99.200 -91.000 TRP6 3 1.020 -14.582 -6.252 -12.005 -99.200 -91.000 TYR 5 0.840 -9.776 -7.377 -15.222 -99.200 -91.000 TRP 14 1.040 -14.980 -11.760 -14.198 -99.200 -91.000 TRP6 14 1.020 -14.522 -10.239 -15.956 -99.200 -91.000 TYR 18 0.840 -20.967 -10.160 -11.345 -99.200 -91.000 HIS 38 0.900 -19.312 0.288 -46.771 -99.200 -91.000 TYR 49 0.840 -16.283 13.765 -26.318 -99.200 -91.000 HIS 62 0.900 -11.784 -2.517 -12.321 -99.200 -91.000 PHE 64 1.000 -6.045 5.511 -15.517 -99.200 -91.000 HIS 65 0.900 -13.320 3.377 -14.192 -99.200 -91.000 PHE 68 1.000 -14.562 13.613 -19.164 -99.200 -91.000 PHE 82 1.000 -24.628 5.403 -31.086 -99.200 -91.000 TYR 86 0.840 -26.332 6.690 -27.148 -99.200 -91.000 PHE 89 1.000 -20.589 6.713 -18.497 -99.200 -91.000 PHE 91 1.000 -10.121 9.894 -20.443 -99.200 -91.000 HIS 92 0.900 -12.996 2.358 -18.917 -99.200 -91.000 PHE 93 1.000 -6.248 5.435 -21.337 -99.200 -91.000 HIS 94 0.900 -10.567 -2.430 -20.167 -99.200 -91.000 TRP 95 1.040 -2.742 -1.977 -17.667 -99.200 -91.000 TRP6 95 1.020 -4.152 -0.271 -16.816 -99.200 -91.000 HIS 101 0.900 -0.693 -9.881 -22.658 -99.200 -91.000 HIS 105 0.900 -13.868 -4.321 -28.564 -99.200 -91.000 TYR 112 0.840 -3.615 -3.651 -32.898 -99.200 -91.000 HIS 117 0.900 -12.930 -0.068 -23.686 -99.200 -91.000 HIS 120 0.900 -19.509 8.723 -25.535 -99.200 -91.000 TRP 121 1.040 -25.379 9.120 -19.063 -99.200 -91.000 TRP6 121 1.020 -27.533 10.072 -18.841 -99.200 -91.000 TYR 126 0.840 -32.982 4.576 -21.545 -99.200 -91.000 PHE 174 1.000 -7.499 14.188 -15.978 -99.200 -91.000 PHE 177 1.000 -7.756 15.028 -21.554 -99.200 -91.000 PHE 189 1.000 -18.839 4.004 -37.176 -99.200 -91.000 TRP 190 1.040 -14.538 -2.767 -38.460 -99.200 -91.000 TRP6 190 1.020 -12.268 -2.523 -37.838 -99.200 -91.000 TYR 192 0.840 -19.210 -5.558 -30.778 -99.200 -91.000 HIS 198 0.900 -15.604 -3.420 -15.608 -99.200 -91.000 TYR 202 0.840 -26.099 -4.253 -15.558 -99.200 -91.000 TRP 207 1.040 -18.748 -2.460 -27.130 -99.200 -91.000 TRP6 207 1.020 -16.932 -1.436 -26.008 -99.200 -91.000 PHE 224 1.000 -2.193 3.579 -19.161 -99.200 -91.000 HIS 241 0.900 -3.576 -9.561 -15.731 -99.200 -91.000 PHE 258 1.000 -13.587 0.421 -42.305 -99.200 -91.000