============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.594 -10.967 -5.301 -99.200 -91.000 TRP6 12 1.020 -4.488 -11.088 -7.467 -99.200 -91.000 TYR 20 0.840 1.243 7.569 8.533 -99.200 -91.000 TRP 26 1.040 8.715 2.837 9.545 -99.200 -91.000 TRP6 26 1.020 9.021 4.499 7.933 -99.200 -91.000 HIS 28 0.900 -1.523 -0.201 4.263 -99.200 -91.000 TRP 39 1.040 10.647 4.959 -11.439 -99.200 -91.000 TRP6 39 1.020 10.063 7.167 -10.896 -99.200 -91.000 HIS 45 0.900 -6.716 9.162 -2.399 -99.200 -91.000 PHE 53 1.000 4.049 9.498 2.277 -99.200 -91.000 HIS 60 0.900 -0.278 -12.985 3.179 -99.200 -91.000 TYR 71 0.840 10.554 -3.978 6.074 -99.200 -91.000 HIS 80 0.900 -1.624 14.030 -14.458 -99.200 -91.000 TYR 82 0.840 -4.012 19.687 -16.468 -99.200 -91.000 TRP 83 1.040 -3.932 15.355 -6.472 -99.200 -91.000 TRP6 83 1.020 -5.952 14.222 -6.331 -99.200 -91.000 TYR 91 0.840 -6.262 14.921 -15.042 -99.200 -91.000 TYR 107 0.840 7.247 -15.233 -1.242 -99.200 -91.000 TYR 127 0.840 -10.185 -12.177 -7.650 -99.200 -91.000 TRP 131 1.040 -1.936 -5.696 3.908 -99.200 -91.000 TRP6 131 1.020 -0.526 -5.200 2.102 -99.200 -91.000 TYR 148 0.840 -15.294 -12.035 -9.424 -99.200 -91.000 TYR 154 0.840 -18.557 7.589 -18.759 -99.200 -91.000 TYR 160 0.840 -25.122 1.780 -11.094 -99.200 -91.000 TRP 161 1.040 -19.759 6.137 -8.145 -99.200 -91.000 TRP6 161 1.020 -19.244 7.363 -6.223 -99.200 -91.000 HIS 190 0.900 -3.874 -7.120 -8.674 -99.200 -91.000 TYR 197 0.840 -5.876 -12.329 -12.428 -99.200 -91.000 HIS 200 0.900 -6.976 -3.619 -17.390 -99.200 -91.000 PHE 205 1.000 -14.277 8.862 -6.655 -99.200 -91.000 PHE 220 1.000 -10.930 0.132 -8.285 -99.200 -91.000 TYR 226 0.840 -4.204 9.087 -15.724 -99.200 -91.000 TRP 229 1.040 2.020 11.846 -15.813 -99.200 -91.000 TRP6 229 1.020 2.025 10.652 -13.817 -99.200 -91.000