============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 3 0.840 29.884 15.830 11.335 -99.200 -91.000 TYR 10 0.840 12.903 31.941 24.063 -99.200 -91.000 HIS 14 0.900 0.806 26.634 32.417 -99.200 -91.000 HIS 16 0.900 8.118 51.221 20.403 -99.200 -91.000 PHE 17 1.000 4.532 46.433 25.625 -99.200 -91.000 PHE 21 1.000 17.216 30.658 24.592 -99.200 -91.000 PHE 24 1.000 25.627 34.593 26.264 -99.200 -91.000 TYR 26 0.840 30.166 32.126 29.022 -99.200 -91.000 PHE 27 1.000 32.390 25.839 23.631 -99.200 -91.000 TYR 36 0.840 23.658 25.512 27.617 -99.200 -91.000 TYR 40 0.840 14.712 30.976 29.148 -99.200 -91.000 TYR 42 0.840 8.692 42.203 29.404 -99.200 -91.000 TYR 47 0.840 11.888 36.283 32.036 -99.200 -91.000 PHE 50 1.000 20.957 24.643 33.142 -99.200 -91.000 TYR 57 0.840 15.674 26.217 33.040 -99.200 -91.000 TYR 70 0.840 5.425 24.860 32.749 -99.200 -91.000 TYR 71 0.840 10.885 27.983 31.759 -99.200 -91.000 TYR 75 0.840 10.192 23.627 29.400 -99.200 -91.000 TYR 89 0.840 26.493 18.133 16.774 -99.200 -91.000 TYR 91 0.840 35.492 24.155 20.884 -99.200 -91.000 PHE 122 1.000 44.713 41.876 14.187 -99.200 -91.000 TYR 123 0.840 38.855 35.118 13.747 -99.200 -91.000 TRP 131 1.040 55.200 52.693 16.633 -99.200 -91.000 TRP6 131 1.020 56.032 53.057 14.438 -99.200 -91.000 PHE 132 1.000 61.800 46.821 18.803 -99.200 -91.000 TRP 153 1.040 32.925 36.019 11.109 -99.200 -91.000 TRP6 153 1.020 33.249 34.153 12.600 -99.200 -91.000 PHE 155 1.000 39.152 40.453 16.297 -99.200 -91.000 TYR 171 0.840 61.441 57.075 14.289 -99.200 -91.000 HIS 174 0.900 60.678 45.081 15.317 -99.200 -91.000 HIS 177 0.900 47.347 37.041 13.897 -99.200 -91.000 TRP 188 1.040 58.049 56.902 7.909 -99.200 -91.000 TRP6 188 1.020 59.232 58.766 8.755 -99.200 -91.000