============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 14 1.000 20.325 26.695 187.799 -99.200 -91.000 TYR 24 0.840 29.232 27.609 191.842 -99.200 -91.000 HIS 53 0.900 31.201 32.615 177.088 -99.200 -91.000 HIS 56 0.900 31.421 27.507 181.084 -99.200 -91.000 HIS 84 0.900 33.527 26.528 165.962 -99.200 -91.000 PHE 92 1.000 34.697 32.080 179.595 -99.200 -91.000 HIS 96 0.900 37.084 34.786 182.422 -99.200 -91.000 TYR 107 0.840 28.178 18.016 173.676 -99.200 -91.000 TYR 108 0.840 22.908 15.418 167.846 -99.200 -91.000 TYR 117 0.840 46.335 12.827 167.497 -99.200 -91.000 HIS 119 0.900 37.118 18.234 170.385 -99.200 -91.000 TYR 120 0.840 39.625 15.323 173.897 -99.200 -91.000 TYR 134 0.840 33.273 13.247 181.838 -99.200 -91.000 PHE 153 1.000 50.549 10.562 179.596 -99.200 -91.000 TYR 160 0.840 45.767 16.069 184.473 -99.200 -91.000 HIS 178 0.900 48.489 -1.988 176.721 -99.200 -91.000 TYR 191 0.840 39.475 -0.669 197.100 -99.200 -91.000 HIS 217 0.900 42.788 13.076 200.776 -99.200 -91.000 PHE 218 1.000 41.755 6.105 205.491 -99.200 -91.000 TYR 224 0.840 45.807 -0.212 197.834 -99.200 -91.000 TYR 235 0.840 26.624 -0.440 195.269 -99.200 -91.000 PHE 242 1.000 25.477 8.775 189.677 -99.200 -91.000 TYR 254 0.840 14.387 21.320 199.149 -99.200 -91.000 PHE 264 1.000 16.716 19.451 189.435 -99.200 -91.000 PHE 276 1.000 11.711 14.792 197.419 -99.200 -91.000 TYR 285 0.840 25.408 6.760 203.368 -99.200 -91.000 PHE 290 1.000 26.059 25.357 204.103 -99.200 -91.000