============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 32 0.900 1.536 64.564 4.115 -99.200 -91.000 TRP 40 1.040 -5.590 61.740 -18.527 -99.200 -91.000 TRP6 40 1.020 -4.150 62.909 -19.974 -99.200 -91.000 HIS 74 0.900 3.286 44.863 17.120 -99.200 -91.000 TRP 75 1.040 2.343 42.764 9.694 -99.200 -91.000 TRP6 75 1.020 3.262 41.395 8.009 -99.200 -91.000 TRP 84 1.040 2.245 31.983 6.890 -99.200 -91.000 TRP6 84 1.020 1.407 33.279 5.097 -99.200 -91.000 TRP 85 1.040 2.743 36.014 13.099 -99.200 -91.000 TRP6 85 1.020 1.953 36.279 15.302 -99.200 -91.000 PHE 95 1.000 14.525 51.921 4.409 -99.200 -91.000 HIS 98 0.900 20.043 55.114 -3.038 -99.200 -91.000 PHE 111 1.000 10.276 64.104 -3.403 -99.200 -91.000 TYR 114 0.840 12.080 63.762 -10.386 -99.200 -91.000 HIS 122 0.900 12.135 53.849 11.554 -99.200 -91.000 PHE 127 1.000 8.854 61.491 7.621 -99.200 -91.000 TRP 130 1.040 14.778 68.105 -5.467 -99.200 -91.000 TRP6 130 1.020 13.930 70.252 -5.889 -99.200 -91.000 HIS 133 0.900 16.802 74.490 5.156 -99.200 -91.000 TYR 156 0.840 7.042 72.745 16.135 -99.200 -91.000 TYR 161 0.840 3.950 77.575 4.971 -99.200 -91.000 TYR 169 0.840 -6.628 68.180 8.531 -99.200 -91.000 HIS 176 0.900 1.180 59.335 12.686 -99.200 -91.000 TRP 202 1.040 12.962 41.160 13.554 -99.200 -91.000 TRP6 202 1.020 11.456 41.808 11.853 -99.200 -91.000 PHE 205 1.000 12.241 49.750 15.566 -99.200 -91.000 TYR 209 0.840 4.282 56.793 15.791 -99.200 -91.000 PHE 214 1.000 -2.929 61.674 13.246 -99.200 -91.000 PHE 221 1.000 -5.003 73.614 12.324 -99.200 -91.000 PHE 246 1.000 -6.724 72.291 17.300 -99.200 -91.000 TRP 250 1.040 -8.602 67.537 19.685 -99.200 -91.000 TRP6 250 1.020 -8.697 65.193 19.631 -99.200 -91.000 PHE 251 1.000 -3.743 63.046 19.775 -99.200 -91.000