============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 14 0.840 12.472 148.817 -1.489 -99.200 -91.000 PHE 38 1.000 7.884 146.996 15.355 -99.200 -91.000 TRP 39 1.040 1.005 149.207 12.460 -99.200 -91.000 TRP6 39 1.020 0.007 147.317 11.409 -99.200 -91.000 PHE 59 1.000 4.143 140.181 20.008 -99.200 -91.000 TYR 67 0.840 2.194 142.849 24.668 -99.200 -91.000 PHE 74 1.000 -1.556 152.122 16.495 -99.200 -91.000 TYR 78 0.840 -0.201 153.669 8.257 -99.200 -91.000 TRP 88 1.040 -0.830 153.170 21.893 -99.200 -91.000 TRP6 88 1.020 1.018 153.470 20.440 -99.200 -91.000 TYR 122 0.840 11.886 164.825 12.841 -99.200 -91.000 TYR 129 0.840 -2.362 163.384 18.243 -99.200 -91.000 TYR 140 0.840 5.484 155.741 21.201 -99.200 -91.000 TYR 158 0.840 16.055 156.795 9.850 -99.200 -91.000 TYR 161 0.840 22.488 150.547 -1.715 -99.200 -91.000 PHE 174 1.000 17.257 151.390 12.063 -99.200 -91.000 TYR 182 0.840 28.075 159.112 -0.294 -99.200 -91.000 PHE 211 1.000 7.791 171.167 -16.155 -99.200 -91.000 PHE 213 1.000 6.822 171.264 -5.391 -99.200 -91.000 TYR 227 0.840 1.233 159.517 -4.332 -99.200 -91.000 PHE 228 1.000 6.246 166.446 -7.536 -99.200 -91.000 PHE 232 1.000 5.787 170.854 -9.914 -99.200 -91.000 TYR 252 0.840 -10.521 163.383 -10.463 -99.200 -91.000 TYR 254 0.840 -1.996 163.078 -13.911 -99.200 -91.000 PHE 255 1.000 -4.766 154.159 -14.902 -99.200 -91.000 PHE 268 1.000 12.492 164.252 -8.800 -99.200 -91.000 PHE 270 1.000 15.625 167.138 -3.410 -99.200 -91.000 TYR 283 0.840 9.484 159.438 -12.650 -99.200 -91.000 TYR 285 0.840 3.486 150.264 -9.629 -99.200 -91.000 TRP 294 1.040 3.860 159.943 -15.304 -99.200 -91.000 TRP6 294 1.020 3.451 162.168 -14.582 -99.200 -91.000 PHE 308 1.000 14.227 161.657 -4.854 -99.200 -91.000 HIS 311 0.900 16.772 155.410 -9.526 -99.200 -91.000 TYR 313 0.840 23.871 155.698 1.419 -99.200 -91.000 TYR 316 0.840 15.547 159.584 5.554 -99.200 -91.000 TYR 330 0.840 21.486 151.563 -7.949 -99.200 -91.000