============================================================================= 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. PHE 21 1.000 6.755 120.909 159.047 -99.200 -91.000 HIS 28 0.900 -2.612 124.603 165.200 -99.200 -91.000 TYR 29 0.840 -4.680 124.300 161.009 -99.200 -91.000 PHE 36 1.000 -4.476 116.028 155.875 -99.200 -91.000 TYR 48 0.840 -8.373 120.060 155.233 -99.200 -91.000 TYR 60 0.840 14.891 126.042 139.468 -99.200 -91.000 PHE 63 1.000 15.818 136.142 138.694 -99.200 -91.000 PHE 95 1.000 2.838 129.054 148.471 -99.200 -91.000 PHE 96 1.000 10.962 128.465 152.014 -99.200 -91.000 PHE 103 1.000 -0.787 124.512 149.071 -99.200 -91.000 TYR 112 0.840 -2.143 123.712 135.890 -99.200 -91.000 PHE 113 1.000 -4.619 120.424 145.554 -99.200 -91.000 TYR 123 0.840 4.124 131.551 163.610 -99.200 -91.000 PHE 137 1.000 18.320 129.396 184.962 -99.200 -91.000 TYR 155 0.840 35.613 137.108 163.675 -99.200 -91.000 PHE 156 1.000 42.197 137.225 158.011 -99.200 -91.000 PHE 161 1.000 46.989 137.369 155.535 -99.200 -91.000 PHE 169 1.000 34.483 142.373 170.299 -99.200 -91.000 HIS 180 0.900 26.731 138.206 182.890 -99.200 -91.000 PHE 185 1.000 26.943 132.680 165.014 -99.200 -91.000 PHE 188 1.000 36.254 131.854 164.387 -99.200 -91.000 HIS 193 0.900 41.782 136.963 152.795 -99.200 -91.000 PHE 204 1.000 51.502 136.041 157.997 -99.200 -91.000 PHE 207 1.000 52.452 134.832 162.894 -99.200 -91.000 PHE 218 1.000 41.999 129.655 164.785 -99.200 -91.000 PHE 222 1.000 41.305 134.630 163.613 -99.200 -91.000 HIS 232 0.900 36.794 136.576 186.118 -99.200 -91.000 HIS 248 0.900 31.207 117.309 159.273 -99.200 -91.000 TYR 251 0.840 23.224 124.205 158.334 -99.200 -91.000 PHE 268 1.000 38.606 130.967 173.958 -99.200 -91.000 PHE 277 1.000 24.307 128.552 172.620 -99.200 -91.000 TYR 283 0.840 14.914 126.508 176.151 -99.200 -91.000 PHE 284 1.000 21.347 133.163 173.561 -99.200 -91.000 PHE 292 1.000 16.733 136.164 158.635 -99.200 -91.000 TYR 308 0.840 9.482 147.022 157.590 -99.200 -91.000 HIS 316 0.900 7.910 131.479 154.279 -99.200 -91.000 TYR 323 0.840 17.801 126.921 164.100 -99.200 -91.000 TYR 324 0.840 20.092 127.232 153.559 -99.200 -91.000 PHE 327 1.000 16.851 119.405 148.632 -99.200 -91.000 HIS 334 0.900 30.117 124.785 143.896 -99.200 -91.000 TYR 344 0.840 24.442 112.715 158.904 -99.200 -91.000 PHE 350 1.000 12.961 126.141 165.042 -99.200 -91.000 PHE 354 1.000 10.461 122.842 174.293 -99.200 -91.000 HIS 367 0.900 24.102 146.910 161.527 -99.200 -91.000 PHE 368 1.000 17.906 140.738 160.662 -99.200 -91.000 PHE 383 1.000 35.216 142.523 164.971 -99.200 -91.000 TYR 393 0.840 30.399 144.977 169.211 -99.200 -91.000 TYR 418 0.840 6.548 130.578 186.979 -99.200 -91.000 HIS 420 0.900 12.637 130.587 179.270 -99.200 -91.000 TRP 423 1.040 8.325 138.455 173.782 -99.200 -91.000 TRP6 423 1.020 6.725 140.149 174.054 -99.200 -91.000