============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 26 0.840 7.480 -8.596 42.042 -99.200 -91.000 PHE 54 1.000 17.282 -23.595 52.536 -99.200 -91.000 HIS 90 0.900 18.705 -15.594 47.108 -99.200 -91.000 TYR 100 0.840 32.320 -13.564 47.932 -99.200 -91.000 PHE 101 1.000 27.723 -18.516 54.033 -99.200 -91.000 HIS 103 0.900 32.979 -18.031 44.209 -99.200 -91.000 PHE 114 1.000 22.881 -19.130 44.949 -99.200 -91.000 TYR 162 0.840 35.595 -11.222 39.613 -99.200 -91.000 PHE 174 1.000 21.316 -9.879 39.516 -99.200 -91.000 TYR 181 0.840 27.552 -10.455 32.097 -99.200 -91.000 TYR 191 0.840 28.418 -19.279 21.978 -99.200 -91.000 TYR 192 0.840 31.006 -22.024 30.807 -99.200 -91.000 HIS 200 0.900 36.238 -21.284 42.456 -99.200 -91.000 PHE 206 1.000 37.106 -18.243 54.087 -99.200 -91.000 TYR 221 0.840 26.084 4.981 51.275 -99.200 -91.000 TYR 223 0.840 26.017 9.691 55.243 -99.200 -91.000 TYR 229 0.840 24.030 8.856 64.861 -99.200 -91.000 TYR 231 0.840 32.002 4.553 61.893 -99.200 -91.000 HIS 237 0.900 22.933 -2.101 69.474 -99.200 -91.000 TYR 244 0.840 33.778 4.243 55.235 -99.200 -91.000 HIS 299 0.900 29.695 -9.567 45.910 -99.200 -91.000 TYR 320 0.840 41.375 -15.964 55.300 -99.200 -91.000 PHE 321 1.000 37.660 -8.954 52.901 -99.200 -91.000 HIS 322 0.900 44.720 -7.487 49.111 -99.200 -91.000 TYR 324 0.840 39.569 -17.653 49.989 -99.200 -91.000