============================================================================= 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. PHE 5 1.000 24.820 4.037 -58.117 -99.200 -91.000 TYR 23 0.840 31.834 11.016 -51.732 -99.200 -91.000 PHE 27 1.000 27.294 8.261 -56.731 -99.200 -91.000 PHE 43 1.000 42.157 24.986 -46.202 -99.200 -91.000 TYR 71 0.840 30.995 25.993 -64.533 -99.200 -91.000 PHE 88 1.000 22.993 14.594 -67.156 -99.200 -91.000 PHE 106 1.000 32.312 29.783 -28.275 -99.200 -91.000 TRP 114 1.040 27.472 30.760 -36.352 -99.200 -91.000 TRP6 114 1.020 27.907 29.111 -34.697 -99.200 -91.000 HIS 118 0.900 26.952 27.217 -38.197 -99.200 -91.000 HIS 121 0.900 30.849 22.683 -43.753 -99.200 -91.000 PHE 126 1.000 16.311 24.747 -46.156 -99.200 -91.000 TRP 133 1.040 11.154 16.615 -49.786 -99.200 -91.000 TRP6 133 1.020 12.573 15.041 -48.703 -99.200 -91.000 HIS 135 0.900 12.306 19.003 -59.169 -99.200 -91.000 TYR 141 0.840 15.789 5.917 -56.698 -99.200 -91.000 TYR 154 0.840 33.216 10.528 -31.597 -99.200 -91.000 PHE 157 1.000 41.361 23.788 -27.240 -99.200 -91.000 TYR 162 0.840 34.191 21.045 -39.992 -99.200 -91.000 HIS 186 0.900 15.752 4.357 -48.677 -99.200 -91.000 TYR 215 0.840 41.746 3.269 -49.281 -99.200 -91.000 TRP 222 1.040 25.176 -0.537 -49.105 -99.200 -91.000 TRP6 222 1.020 23.542 -1.849 -50.235 -99.200 -91.000 HIS 225 0.900 22.197 -0.123 -56.588 -99.200 -91.000 PHE 235 1.000 25.682 3.742 -41.981 -99.200 -91.000 TRP 241 1.040 35.981 -0.147 -39.193 -99.200 -91.000 TRP6 241 1.020 34.895 1.791 -38.306 -99.200 -91.000 TRP 247 1.040 21.466 9.688 -30.368 -99.200 -91.000 TRP6 247 1.020 23.182 10.894 -29.253 -99.200 -91.000 HIS 260 0.900 8.155 14.368 0.105 -99.200 -91.000 TRP 271 1.040 25.545 13.224 -11.999 -99.200 -91.000 TRP6 271 1.020 23.753 14.183 -13.214 -99.200 -91.000 PHE 277 1.000 25.008 5.889 -20.798 -99.200 -91.000