============================================================================= 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 3 0.840 32.931 23.658 6.088 -99.200 -91.000 TYR 7 0.840 16.900 22.031 3.928 -99.200 -91.000 PHE 8 1.000 13.850 19.694 -0.291 -99.200 -91.000 TRP 28 1.040 26.877 28.132 3.761 -99.200 -91.000 TRP6 28 1.020 26.973 29.849 5.381 -99.200 -91.000 TRP 38 1.040 12.712 15.903 -3.067 -99.200 -91.000 TRP6 38 1.020 14.888 15.165 -2.511 -99.200 -91.000 TYR 49 0.840 20.203 7.460 6.328 -99.200 -91.000 PHE 55 1.000 28.260 20.556 5.503 -99.200 -91.000 TYR 63 0.840 23.393 12.048 1.752 -99.200 -91.000 HIS 71 0.900 32.623 16.776 9.626 -99.200 -91.000 TYR 79 0.840 30.353 16.826 20.129 -99.200 -91.000 TYR 103 0.840 8.251 24.219 14.303 -99.200 -91.000 TYR 108 0.840 6.821 20.360 6.922 -99.200 -91.000 TYR 111 0.840 -0.200 25.895 12.043 -99.200 -91.000 TYR 118 0.840 4.199 22.037 19.421 -99.200 -91.000 PHE 129 1.000 15.737 22.481 25.537 -99.200 -91.000 PHE 142 1.000 28.790 30.630 24.933 -99.200 -91.000 PHE 150 1.000 26.671 19.325 18.554 -99.200 -91.000 TYR 153 0.840 26.439 28.248 16.667 -99.200 -91.000 HIS 162 0.900 9.198 25.547 19.332 -99.200 -91.000 PHE 173 1.000 9.926 28.914 30.414 -99.200 -91.000 TYR 179 0.840 21.142 30.173 24.885 -99.200 -91.000 PHE 192 1.000 22.682 33.124 8.392 -99.200 -91.000 TYR 198 0.840 17.194 33.619 9.917 -99.200 -91.000