============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 9 0.840 11.277 6.088 -25.264 -99.200 -91.000 TRP 28 1.040 -4.705 -14.163 -20.392 -99.200 -91.000 TRP6 28 1.020 -4.795 -16.061 -21.796 -99.200 -91.000 TRP 34 1.040 5.828 -13.024 -30.223 -99.200 -91.000 TRP6 34 1.020 6.493 -15.024 -31.308 -99.200 -91.000 PHE 38 1.000 11.760 -7.198 -25.179 -99.200 -91.000 PHE 47 1.000 10.404 -5.355 -14.055 -99.200 -91.000 PHE 59 1.000 14.506 -28.744 -8.901 -99.200 -91.000 TYR 64 0.840 19.082 -34.727 -16.845 -99.200 -91.000 PHE 67 1.000 22.579 -31.939 -19.657 -99.200 -91.000 PHE 71 1.000 20.769 -23.037 -16.236 -99.200 -91.000 HIS 78 0.900 23.771 -14.451 -23.886 -99.200 -91.000 PHE 79 1.000 17.903 -15.237 -15.437 -99.200 -91.000 HIS 83 0.900 17.640 -5.632 -13.979 -99.200 -91.000 HIS 86 0.900 20.312 -16.332 -3.653 -99.200 -91.000 TYR 87 0.840 22.965 -17.843 -11.570 -99.200 -91.000 TYR 88 0.840 17.606 -19.365 -4.481 -99.200 -91.000 PHE 90 1.000 15.704 -26.503 -5.729 -99.200 -91.000 TYR 116 0.840 11.699 -38.260 -5.082 -99.200 -91.000 TRP 119 1.040 12.473 -40.861 -17.099 -99.200 -91.000 TRP6 119 1.020 10.933 -39.337 -18.034 -99.200 -91.000 PHE 133 1.000 14.805 -25.902 -0.425 -99.200 -91.000 PHE 138 1.000 13.508 -20.754 -3.790 -99.200 -91.000 TYR 144 0.840 9.066 -10.072 -10.397 -99.200 -91.000 PHE 154 1.000 19.772 -18.575 -19.639 -99.200 -91.000 HIS 157 0.900 17.712 -8.977 -22.684 -99.200 -91.000 PHE 167 1.000 8.122 -16.287 -16.469 -99.200 -91.000 HIS 171 0.900 6.964 -28.241 -26.122 -99.200 -91.000 PHE 174 1.000 3.064 -30.074 -28.950 -99.200 -91.000 TYR 175 0.840 6.154 -21.926 -33.131 -99.200 -91.000 PHE 182 1.000 -2.256 -26.461 -27.963 -99.200 -91.000 TYR 184 0.840 -3.777 -28.620 -23.347 -99.200 -91.000 TYR 193 0.840 -10.629 -34.382 -19.177 -99.200 -91.000 PHE 201 1.000 -1.470 -18.903 -26.105 -99.200 -91.000 TYR 202 0.840 1.894 -29.059 -24.349 -99.200 -91.000 TYR 203 0.840 0.629 -21.561 -21.191 -99.200 -91.000 PHE 207 1.000 12.190 -19.185 -19.427 -99.200 -91.000 PHE 208 1.000 7.403 -23.485 -13.510 -99.200 -91.000 HIS 223 0.900 3.873 -32.428 -3.969 -99.200 -91.000 TRP 238 1.040 3.784 -35.486 -23.086 -99.200 -91.000 TRP6 238 1.020 5.891 -36.479 -23.484 -99.200 -91.000 HIS 239 0.900 6.112 -37.719 -17.425 -99.200 -91.000 HIS 243 0.900 -0.537 -32.987 -12.690 -99.200 -91.000 TYR 247 0.840 -1.626 -22.669 -11.084 -99.200 -91.000 HIS 251 0.900 -5.143 -21.376 -11.147 -99.200 -91.000 TYR 261 0.840 12.004 -14.719 -23.903 -99.200 -91.000 TRP 263 1.040 14.149 -22.870 -31.694 -99.200 -91.000 TRP6 263 1.020 11.885 -22.766 -32.333 -99.200 -91.000 TRP 270 1.040 17.204 -18.036 -35.834 -99.200 -91.000 TRP6 270 1.020 19.362 -17.377 -35.148 -99.200 -91.000 PHE 279 1.000 16.859 -21.706 -20.973 -99.200 -91.000