============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 39.228 23.752 52.451 -99.200 -91.000 TYR 7 0.840 37.600 12.053 49.850 -99.200 -91.000 TYR 14 0.840 40.390 13.066 40.301 -99.200 -91.000 PHE 15 1.000 37.764 16.449 44.177 -99.200 -91.000 PHE 19 1.000 45.454 20.875 46.010 -99.200 -91.000 PHE 23 1.000 40.675 20.327 42.707 -99.200 -91.000 TRP 25 1.040 34.945 22.813 40.468 -99.200 -91.000 TRP6 25 1.020 33.015 24.030 39.848 -99.200 -91.000 TYR 31 0.840 18.930 26.117 39.057 -99.200 -91.000 PHE 36 1.000 19.442 24.676 30.428 -99.200 -91.000 HIS 40 0.900 37.402 25.850 33.652 -99.200 -91.000 TYR 51 0.840 38.981 27.348 45.944 -99.200 -91.000 PHE 60 1.000 19.027 30.481 36.349 -99.200 -91.000 TRP 74 1.040 21.625 25.923 46.973 -99.200 -91.000 TRP6 74 1.020 20.406 25.251 45.066 -99.200 -91.000 TYR 82 0.840 29.536 7.491 37.708 -99.200 -91.000 HIS 103 0.900 11.989 21.778 49.610 -99.200 -91.000 HIS 109 0.900 23.660 16.878 34.003 -99.200 -91.000 TYR 112 0.840 34.001 17.058 40.782 -99.200 -91.000 PHE 126 1.000 28.188 5.057 42.610 -99.200 -91.000 HIS 127 0.900 33.697 8.658 46.181 -99.200 -91.000 PHE 128 1.000 26.280 6.588 47.584 -99.200 -91.000 HIS 131 0.900 29.490 18.306 48.835 -99.200 -91.000 HIS 143 0.900 30.199 43.288 51.530 -99.200 -91.000 TYR 144 0.840 25.028 37.344 48.965 -99.200 -91.000 TYR 147 0.840 29.099 24.898 58.001 -99.200 -91.000 TYR 154 0.840 33.367 2.789 49.799 -99.200 -91.000 HIS 163 0.900 28.260 -6.132 45.384 -99.200 -91.000 HIS 164 0.900 34.149 -1.200 49.535 -99.200 -91.000