============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 8 1.040 60.867 21.567 31.673 -99.200 -91.000 TRP6 8 1.020 62.122 19.556 31.894 -99.200 -91.000 TRP 24 1.040 54.882 30.630 29.318 -99.200 -91.000 TRP6 24 1.020 56.772 30.117 30.641 -99.200 -91.000 PHE 33 1.000 49.957 18.821 30.516 -99.200 -91.000 HIS 40 0.900 50.202 7.634 28.263 -99.200 -91.000 TRP 49 1.040 45.159 19.188 43.617 -99.200 -91.000 TRP6 49 1.020 44.008 17.916 41.978 -99.200 -91.000 PHE 73 1.000 46.528 18.115 49.358 -99.200 -91.000 TYR 90 0.840 48.639 5.014 44.839 -99.200 -91.000 TRP 98 1.040 53.774 11.258 29.558 -99.200 -91.000 TRP6 98 1.020 55.766 12.099 28.600 -99.200 -91.000 TYR 106 0.840 58.913 19.052 36.076 -99.200 -91.000 HIS 112 0.900 62.386 6.966 40.295 -99.200 -91.000 TRP 141 1.040 68.420 13.445 29.912 -99.200 -91.000 TRP6 141 1.020 66.350 12.307 30.041 -99.200 -91.000 TRP 148 1.040 63.922 29.443 18.145 -99.200 -91.000 TRP6 148 1.020 63.116 29.467 20.375 -99.200 -91.000 TYR 157 0.840 55.037 27.206 19.709 -99.200 -91.000 PHE 159 1.000 56.112 21.942 20.651 -99.200 -91.000 HIS 160 0.900 64.609 22.285 23.174 -99.200 -91.000 TYR 162 0.840 66.459 17.153 25.186 -99.200 -91.000