============================================================================= 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. TYR 17 0.840 24.741 16.056 31.489 -99.200 -91.000 PHE 30 1.000 15.642 19.918 31.437 -99.200 -91.000 HIS 49 0.900 23.339 21.702 21.615 -99.200 -91.000 TYR 53 0.840 29.190 12.217 19.270 -99.200 -91.000 TYR 64 0.840 3.412 23.296 36.168 -99.200 -91.000 HIS 108 0.900 -2.277 20.235 31.950 -99.200 -91.000 TYR 111 0.840 2.081 13.449 39.443 -99.200 -91.000 HIS 126 0.900 1.478 21.376 52.906 -99.200 -91.000 TYR 128 0.840 0.072 10.774 52.101 -99.200 -91.000 PHE 141 1.000 18.366 12.966 46.284 -99.200 -91.000 PHE 150 1.000 28.105 6.804 57.451 -99.200 -91.000 TYR 152 0.840 35.321 12.106 49.857 -99.200 -91.000 PHE 158 1.000 37.044 2.107 58.265 -99.200 -91.000 HIS 173 0.900 19.272 16.250 53.011 -99.200 -91.000 PHE 181 1.000 28.494 6.102 62.690 -99.200 -91.000 PHE 193 1.000 32.298 2.618 62.171 -99.200 -91.000 TRP 221 1.040 29.537 18.536 39.945 -99.200 -91.000 TRP6 221 1.020 28.386 19.415 38.041 -99.200 -91.000 HIS 229 0.900 21.605 4.679 42.487 -99.200 -91.000 HIS 236 0.900 16.330 0.965 32.817 -99.200 -91.000 PHE 252 1.000 12.717 1.665 60.086 -99.200 -91.000 HIS 254 0.900 9.557 6.037 65.434 -99.200 -91.000 PHE 259 1.000 11.617 8.849 60.092 -99.200 -91.000 TRP 276 1.040 17.671 -1.819 56.238 -99.200 -91.000 TRP6 276 1.020 19.222 -0.201 55.608 -99.200 -91.000 TYR 281 0.840 24.533 6.669 67.824 -99.200 -91.000 TYR 297 0.840 2.314 18.316 57.473 -99.200 -91.000