============================================================================= 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. HIS 34 0.900 16.091 10.860 -3.680 -99.200 -91.000 TRP 42 1.040 22.894 9.132 19.160 -99.200 -91.000 TRP6 42 1.020 21.521 10.357 20.557 -99.200 -91.000 HIS 76 0.900 15.952 -8.676 -16.404 -99.200 -91.000 TRP 77 1.040 16.456 -10.293 -8.610 -99.200 -91.000 TRP6 77 1.020 15.790 -11.796 -6.968 -99.200 -91.000 TRP 86 1.040 17.484 -21.038 -5.529 -99.200 -91.000 TRP6 86 1.020 18.250 -19.695 -3.790 -99.200 -91.000 TRP 87 1.040 16.759 -17.143 -11.829 -99.200 -91.000 TRP6 87 1.020 17.583 -16.665 -13.939 -99.200 -91.000 PHE 97 1.000 3.397 -2.217 -4.100 -99.200 -91.000 HIS 100 0.900 -2.353 0.978 3.078 -99.200 -91.000 PHE 113 1.000 7.258 10.340 3.739 -99.200 -91.000 TYR 116 0.840 5.380 9.917 10.725 -99.200 -91.000 HIS 124 0.900 5.890 -0.262 -11.108 -99.200 -91.000 PHE 129 1.000 8.839 7.622 -7.221 -99.200 -91.000 TRP 132 1.040 2.537 14.115 5.670 -99.200 -91.000 TRP6 132 1.020 3.354 16.307 6.014 -99.200 -91.000 HIS 135 0.900 0.330 20.209 -5.235 -99.200 -91.000 TYR 158 0.840 10.350 18.733 -15.959 -99.200 -91.000 TYR 163 0.840 13.008 23.871 -4.782 -99.200 -91.000 TYR 171 0.840 23.976 14.765 -8.236 -99.200 -91.000 HIS 178 0.900 16.578 5.624 -12.256 -99.200 -91.000 TRP 204 1.040 5.942 -13.053 -12.945 -99.200 -91.000 TRP6 204 1.020 7.397 -12.226 -11.294 -99.200 -91.000 PHE 207 1.000 6.165 -4.461 -15.169 -99.200 -91.000 TYR 211 0.840 13.700 2.888 -15.404 -99.200 -91.000 PHE 216 1.000 20.795 7.995 -12.758 -99.200 -91.000 PHE 223 1.000 22.546 19.919 -11.938 -99.200 -91.000 PHE 248 1.000 24.211 18.562 -16.931 -99.200 -91.000 TRP 252 1.040 26.269 13.895 -19.229 -99.200 -91.000 TRP6 252 1.020 26.375 11.551 -19.181 -99.200 -91.000 PHE 253 1.000 21.550 9.308 -19.289 -99.200 -91.000