============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 24.117 25.826 39.744 -99.200 -91.000 TRP6 14 1.020 26.028 24.422 39.707 -99.200 -91.000 TRP 35 1.040 24.257 34.551 52.976 -99.200 -91.000 TRP6 35 1.020 22.969 36.489 53.426 -99.200 -91.000 HIS 41 0.900 12.512 41.158 37.292 -99.200 -91.000 PHE 43 1.000 12.459 38.963 45.760 -99.200 -91.000 TRP 49 1.040 8.279 41.746 52.598 -99.200 -91.000 TRP6 49 1.020 9.520 41.688 50.591 -99.200 -91.000 HIS 59 0.900 14.212 17.314 37.027 -99.200 -91.000 HIS 64 0.900 8.263 15.301 48.722 -99.200 -91.000 TYR 82 0.840 14.636 47.199 41.516 -99.200 -91.000 HIS 89 0.900 22.312 49.969 39.835 -99.200 -91.000 HIS 97 0.900 13.437 30.886 60.276 -99.200 -91.000 HIS 105 0.900 19.568 14.480 43.806 -99.200 -91.000 PHE 116 1.000 37.753 33.043 37.771 -99.200 -91.000 PHE 123 1.000 37.289 39.283 28.218 -99.200 -91.000 PHE 126 1.000 28.099 29.267 22.802 -99.200 -91.000 TRP 132 1.040 11.152 24.248 37.430 -99.200 -91.000 TRP6 132 1.020 12.732 24.950 39.047 -99.200 -91.000 TYR 173 0.840 25.996 49.436 37.553 -99.200 -91.000 PHE 175 1.000 25.756 38.828 31.176 -99.200 -91.000 TYR 179 0.840 21.773 31.006 20.411 -99.200 -91.000 HIS 195 0.900 25.233 34.145 31.718 -99.200 -91.000 HIS 198 0.900 33.642 24.123 32.592 -99.200 -91.000 TYR 199 0.840 38.980 29.647 33.528 -99.200 -91.000 TRP 203 1.040 29.611 24.125 35.709 -99.200 -91.000 TRP6 203 1.020 28.749 24.895 33.649 -99.200 -91.000 TYR 204 0.840 34.185 29.887 39.084 -99.200 -91.000 TRP 211 1.040 16.417 44.278 31.031 -99.200 -91.000 TRP6 211 1.020 16.278 45.315 28.899 -99.200 -91.000 HIS 220 0.900 14.668 43.416 20.000 -99.200 -91.000 PHE 221 1.000 21.494 39.144 20.349 -99.200 -91.000 TYR 224 0.840 20.669 36.410 30.499 -99.200 -91.000 TYR 230 0.840 24.978 44.791 41.035 -99.200 -91.000 TRP 233 1.040 25.177 45.967 47.584 -99.200 -91.000 TRP6 233 1.020 23.441 44.411 47.169 -99.200 -91.000 PHE 252 1.000 26.149 48.956 43.389 -99.200 -91.000