============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 9 1.000 55.570 51.609 65.766 -99.200 -91.000 PHE 14 1.000 59.034 42.613 73.950 -99.200 -91.000 TYR 18 0.840 63.281 48.375 68.086 -99.200 -91.000 TYR 22 0.840 66.725 41.765 71.696 -99.200 -91.000 TYR 28 0.840 50.057 37.560 78.826 -99.200 -91.000 PHE 30 1.000 58.068 45.343 78.780 -99.200 -91.000 TYR 37 0.840 57.436 49.625 89.188 -99.200 -91.000 TYR 49 0.840 54.152 63.201 70.271 -99.200 -91.000 PHE 52 1.000 48.549 61.771 69.898 -99.200 -91.000 HIS 55 0.900 56.753 59.750 77.453 -99.200 -91.000 PHE 57 1.000 59.879 58.827 82.041 -99.200 -91.000 PHE 61 1.000 60.028 44.320 83.683 -99.200 -91.000 TYR 78 0.840 84.612 52.940 65.752 -99.200 -91.000 TYR 83 0.840 67.592 56.941 52.064 -99.200 -91.000 TRP 97 1.040 72.668 51.336 62.246 -99.200 -91.000 TRP6 97 1.020 72.010 51.924 60.037 -99.200 -91.000 PHE 98 1.000 77.679 55.426 67.631 -99.200 -91.000 TYR 113 0.840 65.838 55.257 86.217 -99.200 -91.000 TYR 119 0.840 51.348 57.223 70.402 -99.200 -91.000 TRP 147 1.040 46.364 55.733 79.431 -99.200 -91.000 TRP6 147 1.020 46.610 57.594 77.983 -99.200 -91.000 TYR 148 0.840 45.516 49.335 73.473 -99.200 -91.000 PHE 159 1.000 66.070 63.803 81.983 -99.200 -91.000 TYR 187 0.840 63.014 69.048 62.446 -99.200 -91.000 PHE 193 1.000 69.180 63.244 73.158 -99.200 -91.000 TRP 194 1.040 67.330 62.491 68.592 -99.200 -91.000 TRP6 194 1.020 68.033 60.324 69.207 -99.200 -91.000 HIS 197 0.900 73.022 62.993 72.830 -99.200 -91.000