============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 4 1.000 37.218 41.525 45.850 -99.200 -91.000 HIS 14 0.900 42.489 25.638 45.483 -99.200 -91.000 HIS 60 0.900 52.014 35.878 28.118 -99.200 -91.000 PHE 67 1.000 63.243 30.500 32.740 -99.200 -91.000 HIS 82 0.900 57.301 44.399 47.397 -99.200 -91.000 PHE 84 1.000 53.934 40.063 43.407 -99.200 -91.000 PHE 87 1.000 47.062 34.102 35.001 -99.200 -91.000 PHE 92 1.000 50.372 24.920 31.045 -99.200 -91.000 TYR 103 0.840 51.196 23.208 36.372 -99.200 -91.000 PHE 108 1.000 60.116 28.626 29.419 -99.200 -91.000 TRP 113 1.040 58.448 29.405 37.747 -99.200 -91.000 TRP6 113 1.020 57.000 30.760 36.475 -99.200 -91.000 HIS 120 0.900 42.954 28.528 25.137 -99.200 -91.000 HIS 139 0.900 49.767 21.654 48.995 -99.200 -91.000 TYR 159 0.840 35.442 27.385 23.992 -99.200 -91.000 HIS 170 0.900 37.924 18.662 36.144 -99.200 -91.000 PHE 173 1.000 45.119 22.579 39.020 -99.200 -91.000 PHE 177 1.000 34.859 30.132 35.586 -99.200 -91.000 PHE 189 1.000 34.253 27.932 40.414 -99.200 -91.000 HIS 191 0.900 33.606 35.146 37.554 -99.200 -91.000 TYR 199 0.840 31.781 45.414 27.050 -99.200 -91.000 TYR 233 0.840 44.835 51.400 34.489 -99.200 -91.000 TRP 238 1.040 39.166 48.794 47.389 -99.200 -91.000 TRP6 238 1.020 39.459 46.477 47.740 -99.200 -91.000 TYR 241 0.840 35.176 44.815 46.596 -99.200 -91.000