============================================================================= 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. TYR 27 0.840 13.789 5.417 66.919 -99.200 -91.000 HIS 35 0.900 24.574 8.520 72.383 -99.200 -91.000 TRP 36 1.040 21.533 3.374 77.964 -99.200 -91.000 TRP6 36 1.020 19.338 3.178 78.837 -99.200 -91.000 TRP 47 1.040 28.322 8.304 77.589 -99.200 -91.000 TRP6 47 1.020 30.474 7.483 77.058 -99.200 -91.000 PHE 51 1.000 23.251 -2.434 72.728 -99.200 -91.000 TYR 60 0.840 30.708 -1.233 78.658 -99.200 -91.000 PHE 64 1.000 28.820 5.799 85.475 -99.200 -91.000 TYR 80 0.840 15.184 -4.455 78.001 -99.200 -91.000 TYR 93 0.840 21.138 5.673 86.769 -99.200 -91.000 TYR 94 0.840 17.176 12.319 82.642 -99.200 -91.000 PHE 103 1.000 23.998 12.090 75.006 -99.200 -91.000 TRP 106 1.040 17.788 14.560 76.256 -99.200 -91.000 TRP6 106 1.020 19.403 14.214 77.946 -99.200 -91.000 PHE 125 1.000 5.827 14.598 113.206 -99.200 -91.000 TYR 139 0.840 10.031 11.983 102.124 -99.200 -91.000 PHE 140 1.000 14.648 4.673 100.611 -99.200 -91.000 TRP 148 1.040 0.786 24.436 101.592 -99.200 -91.000 TRP6 148 1.020 0.501 24.297 103.938 -99.200 -91.000 HIS 158 0.900 8.713 30.651 99.318 -99.200 -91.000 PHE 160 1.000 12.035 25.954 102.150 -99.200 -91.000 TYR 170 0.840 15.629 10.787 100.363 -99.200 -91.000 TYR 182 0.840 -4.070 29.598 105.863 -99.200 -91.000 HIS 188 0.900 6.698 8.131 100.214 -99.200 -91.000