============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 3 0.840 -7.310 10.893 23.460 -99.200 -91.000 TYR 8 0.840 -12.978 20.719 15.016 -99.200 -91.000 TYR 20 0.840 4.009 12.887 24.021 -99.200 -91.000 TYR 24 0.840 9.400 15.628 21.957 -99.200 -91.000 TRP 30 1.040 10.819 24.775 23.362 -99.200 -91.000 TRP6 30 1.020 8.992 25.693 22.153 -99.200 -91.000 TRP 53 1.040 -6.007 16.292 7.411 -99.200 -91.000 TRP6 53 1.020 -4.508 16.719 5.632 -99.200 -91.000 PHE 65 1.000 -1.791 17.056 9.488 -99.200 -91.000 TRP 70 1.040 3.713 23.609 10.682 -99.200 -91.000 TRP6 70 1.020 3.395 21.975 12.366 -99.200 -91.000 TYR 76 0.840 4.363 18.181 9.803 -99.200 -91.000 TRP 79 1.040 11.333 19.465 8.146 -99.200 -91.000 TRP6 79 1.020 10.678 18.262 10.067 -99.200 -91.000 TYR 87 0.840 0.671 13.049 6.825 -99.200 -91.000 TRP 99 1.040 14.331 21.835 10.329 -99.200 -91.000 TRP6 99 1.020 13.352 23.558 9.058 -99.200 -91.000 TRP 107 1.040 9.458 34.635 16.162 -99.200 -91.000 TRP6 107 1.020 8.084 33.721 17.812 -99.200 -91.000 PHE 115 1.000 9.781 29.504 17.416 -99.200 -91.000 TYR 118 0.840 6.840 31.751 22.738 -99.200 -91.000 PHE 132 1.000 3.501 29.722 18.839 -99.200 -91.000 TYR 136 0.840 4.804 28.588 14.737 -99.200 -91.000 TYR 153 0.840 -8.522 24.694 31.378 -99.200 -91.000 TRP 154 1.040 -4.328 24.201 27.582 -99.200 -91.000 TRP6 154 1.020 -5.471 22.235 28.211 -99.200 -91.000 TYR 155 0.840 2.220 28.828 34.364 -99.200 -91.000