============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 6 0.900 13.233 33.844 15.163 -99.200 -91.000 TYR 16 0.840 14.149 9.388 21.110 -99.200 -91.000 TRP 48 1.040 19.258 27.532 19.101 -99.200 -91.000 TRP6 48 1.020 21.225 28.332 20.165 -99.200 -91.000 HIS 51 0.900 16.252 28.859 12.504 -99.200 -91.000 PHE 55 1.000 26.050 32.363 15.069 -99.200 -91.000 TRP 71 1.040 32.323 23.387 22.330 -99.200 -91.000 TRP6 71 1.020 32.342 21.205 23.251 -99.200 -91.000 TYR 81 0.840 13.676 24.192 30.331 -99.200 -91.000 PHE 86 1.000 13.166 14.059 35.348 -99.200 -91.000 TYR 92 0.840 24.363 14.046 31.070 -99.200 -91.000 TYR 96 0.840 23.013 7.427 29.410 -99.200 -91.000 TYR 122 0.840 19.608 28.417 35.567 -99.200 -91.000 PHE 132 1.000 16.800 25.923 27.727 -99.200 -91.000 HIS 147 0.900 41.477 32.905 18.985 -99.200 -91.000 HIS 162 0.900 21.652 43.377 29.142 -99.200 -91.000 TYR 168 0.840 9.838 36.459 29.620 -99.200 -91.000 HIS 173 0.900 8.742 36.451 36.389 -99.200 -91.000 HIS 200 0.900 36.139 13.830 33.653 -99.200 -91.000 PHE 201 1.000 32.887 14.221 29.010 -99.200 -91.000 TYR 202 0.840 42.618 18.188 25.275 -99.200 -91.000 HIS 213 0.900 30.920 9.132 15.989 -99.200 -91.000 PHE 216 1.000 32.706 15.424 22.796 -99.200 -91.000