============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 5.954 -11.476 12.433 -99.200 -91.000 TRP6 7 1.020 6.547 -13.546 11.475 -99.200 -91.000 TRP 26 1.040 6.225 10.048 3.481 -99.200 -91.000 TRP6 26 1.020 7.106 9.267 1.434 -99.200 -91.000 PHE 28 1.000 12.810 6.917 8.407 -99.200 -91.000 TRP 38 1.040 15.075 -8.842 0.606 -99.200 -91.000 TRP6 38 1.020 14.597 -9.466 -1.626 -99.200 -91.000 PHE 39 1.000 14.336 -12.885 8.313 -99.200 -91.000 HIS 43 0.900 14.554 -13.529 -1.160 -99.200 -91.000 PHE 72 1.000 3.921 -0.562 0.899 -99.200 -91.000 TRP 74 1.040 8.409 6.318 -7.356 -99.200 -91.000 TRP6 74 1.020 10.473 5.450 -6.637 -99.200 -91.000 TYR 84 0.840 18.081 2.023 -6.127 -99.200 -91.000 TYR 89 0.840 19.224 7.705 -2.417 -99.200 -91.000 TYR 91 0.840 16.314 10.329 6.850 -99.200 -91.000 HIS 106 0.900 21.595 5.812 -4.853 -99.200 -91.000 HIS 115 0.900 -0.379 -1.314 -2.676 -99.200 -91.000 TRP 128 1.040 -2.361 -10.325 5.373 -99.200 -91.000 TRP6 128 1.020 -0.164 -9.409 5.215 -99.200 -91.000 TRP 144 1.040 1.303 7.447 19.959 -99.200 -91.000 TRP6 144 1.020 2.210 5.957 18.384 -99.200 -91.000 TYR 147 0.840 4.839 4.455 25.242 -99.200 -91.000 HIS 162 0.900 4.500 8.656 13.298 -99.200 -91.000 TYR 169 0.840 -1.268 -11.203 17.577 -99.200 -91.000 TYR 177 0.840 1.770 -6.470 24.725 -99.200 -91.000 TRP 178 1.040 -2.739 -3.696 17.667 -99.200 -91.000 TRP6 178 1.020 -2.577 -5.397 16.047 -99.200 -91.000 TRP 184 1.040 8.890 9.744 16.068 -99.200 -91.000 TRP6 184 1.020 7.030 10.074 17.470 -99.200 -91.000 TRP 188 1.040 8.844 8.361 21.726 -99.200 -91.000 TRP6 188 1.020 7.550 6.546 20.975 -99.200 -91.000 TYR 193 0.840 10.361 -2.074 18.391 -99.200 -91.000