============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 6.224 13.488 30.378 -99.200 -91.000 PHE 29 1.000 8.603 9.435 35.149 -99.200 -91.000 TYR 32 0.840 9.883 11.429 26.166 -99.200 -91.000 HIS 35 0.900 18.703 15.200 32.939 -99.200 -91.000 TRP 36 1.040 14.885 16.349 40.451 -99.200 -91.000 TRP6 36 1.020 13.049 17.534 41.362 -99.200 -91.000 TRP 47 1.040 21.725 18.567 34.990 -99.200 -91.000 TRP6 47 1.020 23.540 17.077 35.230 -99.200 -91.000 TRP 53 1.040 15.040 3.826 29.148 -99.200 -91.000 TRP6 53 1.020 13.825 1.800 29.083 -99.200 -91.000 TYR 60 0.840 23.270 11.594 41.970 -99.200 -91.000 PHE 68 1.000 21.041 18.096 46.706 -99.200 -91.000 TYR 80 0.840 9.620 9.898 44.329 -99.200 -91.000 TYR 94 0.840 17.011 22.362 44.729 -99.200 -91.000 TYR 95 0.840 12.861 26.511 37.878 -99.200 -91.000 TYR 102 0.840 12.581 10.200 20.960 -99.200 -91.000 TYR 107 0.840 20.119 13.377 28.648 -99.200 -91.000 PHE 108 1.000 18.052 20.313 31.074 -99.200 -91.000 HIS 109 0.900 9.520 18.927 24.761 -99.200 -91.000 TYR 110 0.840 6.550 20.074 27.548 -99.200 -91.000 TRP 111 1.040 12.710 24.142 31.534 -99.200 -91.000 TRP6 111 1.020 14.697 24.523 32.748 -99.200 -91.000 PHE 130 1.000 25.359 45.938 63.167 -99.200 -91.000 PHE 153 1.000 16.134 41.409 56.109 -99.200 -91.000 PHE 160 1.000 14.109 50.212 52.957 -99.200 -91.000 TRP 162 1.040 15.953 55.809 55.875 -99.200 -91.000 TRP6 162 1.020 18.188 56.419 56.346 -99.200 -91.000 TYR 164 0.840 14.814 65.173 58.933 -99.200 -91.000 PHE 176 1.000 19.992 51.239 46.938 -99.200 -91.000 TYR 185 0.840 16.523 36.412 52.681 -99.200 -91.000 HIS 205 0.900 18.903 61.106 66.701 -99.200 -91.000 HIS 212 0.900 11.295 40.566 59.796 -99.200 -91.000