============================================================================= 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. TRP 8 1.040 17.782 4.467 25.699 -99.200 -91.000 TRP6 8 1.020 16.111 3.348 26.927 -99.200 -91.000 TYR 14 0.840 18.298 -7.747 19.573 -99.200 -91.000 HIS 41 0.900 19.803 6.892 7.064 -99.200 -91.000 PHE 54 1.000 -1.808 4.092 1.355 -99.200 -91.000 HIS 71 0.900 6.417 10.384 14.155 -99.200 -91.000 HIS 74 0.900 13.861 8.654 15.827 -99.200 -91.000 TYR 91 0.840 23.917 -3.193 13.077 -99.200 -91.000 TRP 100 1.040 5.630 -4.069 2.486 -99.200 -91.000 TRP6 100 1.020 3.576 -5.246 2.480 -99.200 -91.000 TYR 102 0.840 1.699 0.585 2.645 -99.200 -91.000 TYR 112 0.840 -6.672 15.612 6.289 -99.200 -91.000 HIS 122 0.900 -2.552 -0.871 -1.044 -99.200 -91.000 TYR 155 0.840 -10.144 -5.636 4.631 -99.200 -91.000 TYR 157 0.840 -6.149 -9.899 15.119 -99.200 -91.000 TYR 172 0.840 1.684 11.920 36.152 -99.200 -91.000 TYR 179 0.840 -10.107 4.436 21.117 -99.200 -91.000 TYR 201 0.840 15.017 -0.750 31.367 -99.200 -91.000 TYR 206 0.840 7.022 10.375 26.821 -99.200 -91.000 TYR 211 0.840 -9.932 4.144 30.143 -99.200 -91.000 TYR 218 0.840 -0.474 -10.464 33.660 -99.200 -91.000 TYR 235 0.840 22.073 8.302 16.954 -99.200 -91.000 TRP 238 1.040 15.827 14.203 11.204 -99.200 -91.000 TRP6 238 1.020 14.028 13.714 12.666 -99.200 -91.000 TYR 239 0.840 13.704 15.883 6.998 -99.200 -91.000 TYR 243 0.840 22.539 7.783 11.706 -99.200 -91.000 HIS 254 0.900 12.757 0.764 20.712 -99.200 -91.000 TRP 263 1.040 4.332 -14.017 12.271 -99.200 -91.000 TRP6 263 1.020 2.860 -12.295 11.600 -99.200 -91.000 TYR 291 0.840 4.003 10.022 38.753 -99.200 -91.000 TYR 299 0.840 -3.651 2.742 36.088 -99.200 -91.000 PHE 303 1.000 -1.177 -8.588 28.897 -99.200 -91.000 PHE 305 1.000 11.873 -3.767 27.911 -99.200 -91.000