============================================================================= 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 -3.647 -10.973 -5.369 -99.200 -91.000 TRP6 12 1.020 -4.562 -11.063 -7.547 -99.200 -91.000 TYR 20 0.840 1.215 7.466 8.754 -99.200 -91.000 TRP 26 1.040 8.761 2.782 9.738 -99.200 -91.000 TRP6 26 1.020 9.049 4.492 8.123 -99.200 -91.000 HIS 28 0.900 -1.545 -0.275 4.351 -99.200 -91.000 TRP 39 1.040 10.662 4.976 -11.563 -99.200 -91.000 TRP6 39 1.020 10.074 7.186 -11.003 -99.200 -91.000 HIS 45 0.900 -6.713 9.203 -2.429 -99.200 -91.000 PHE 53 1.000 4.085 9.436 2.404 -99.200 -91.000 HIS 60 0.900 -0.302 -13.023 3.176 -99.200 -91.000 TYR 71 0.840 10.569 -3.965 6.157 -99.200 -91.000 HIS 80 0.900 -1.576 14.014 -14.660 -99.200 -91.000 TYR 82 0.840 -4.004 19.640 -16.619 -99.200 -91.000 TRP 83 1.040 -3.925 15.433 -6.551 -99.200 -91.000 TRP6 83 1.020 -5.966 14.264 -6.409 -99.200 -91.000 TYR 91 0.840 -6.253 15.044 -15.201 -99.200 -91.000 TYR 107 0.840 7.218 -15.275 -1.274 -99.200 -91.000 TYR 127 0.840 -10.151 -12.183 -7.704 -99.200 -91.000 TRP 131 1.040 -1.997 -5.721 3.986 -99.200 -91.000 TRP6 131 1.020 -0.582 -5.276 2.141 -99.200 -91.000 TYR 148 0.840 -15.383 -11.915 -9.537 -99.200 -91.000 TYR 154 0.840 -18.638 7.689 -18.939 -99.200 -91.000 TYR 160 0.840 -25.230 1.842 -11.190 -99.200 -91.000 TRP 161 1.040 -19.743 6.217 -8.211 -99.200 -91.000 TRP6 161 1.020 -19.234 7.408 -6.233 -99.200 -91.000 HIS 190 0.900 -3.927 -7.054 -8.777 -99.200 -91.000 TYR 197 0.840 -5.949 -12.288 -12.505 -99.200 -91.000 HIS 200 0.900 -6.916 -3.836 -17.330 -99.200 -91.000 PHE 205 1.000 -14.316 8.947 -6.689 -99.200 -91.000 PHE 220 1.000 -10.957 0.168 -8.350 -99.200 -91.000 TYR 226 0.840 -4.195 9.148 -15.914 -99.200 -91.000 TRP 229 1.040 2.096 11.811 -15.944 -99.200 -91.000 TRP6 229 1.020 2.068 10.617 -13.910 -99.200 -91.000