============================================================================= 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. TRP 15 1.040 107.810 3.144 21.179 -99.200 -91.000 TRP6 15 1.020 106.739 3.798 23.185 -99.200 -91.000 PHE 18 1.000 109.139 5.937 27.807 -99.200 -91.000 TYR 31 0.840 106.030 14.415 31.875 -99.200 -91.000 TRP 35 1.040 102.839 16.015 28.904 -99.200 -91.000 TRP6 35 1.020 101.707 18.083 28.685 -99.200 -91.000 PHE 39 1.000 100.235 16.099 23.869 -99.200 -91.000 PHE 43 1.000 96.290 20.359 25.162 -99.200 -91.000 TRP 56 1.040 78.666 32.794 15.810 -99.200 -91.000 TRP6 56 1.020 78.509 30.661 14.786 -99.200 -91.000 PHE 61 1.000 82.785 34.335 25.905 -99.200 -91.000 TYR 76 0.840 83.160 29.137 28.081 -99.200 -91.000 TYR 78 0.840 87.159 25.075 27.642 -99.200 -91.000 TYR 85 0.840 98.655 37.890 24.251 -99.200 -91.000 TRP 107 1.040 99.425 22.364 20.212 -99.200 -91.000 TRP6 107 1.020 101.235 21.572 21.523 -99.200 -91.000 TRP 116 1.040 94.233 19.770 7.198 -99.200 -91.000 TRP6 116 1.020 94.192 22.148 7.190 -99.200 -91.000 TYR 117 0.840 97.870 24.889 11.045 -99.200 -91.000 PHE 120 1.000 107.914 19.889 4.186 -99.200 -91.000 TYR 122 0.840 97.183 25.844 5.663 -99.200 -91.000 TYR 150 0.840 95.186 37.612 11.902 -99.200 -91.000 TYR 158 0.840 97.007 35.114 15.571 -99.200 -91.000 TRP 171 1.040 69.682 26.430 14.534 -99.200 -91.000 TRP6 171 1.020 71.363 25.194 13.413 -99.200 -91.000