============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 15 0.840 2.203 4.934 49.439 -99.200 -91.000 PHE 16 1.000 9.450 7.252 44.490 -99.200 -91.000 PHE 31 1.000 5.031 17.792 49.156 -99.200 -91.000 PHE 37 1.000 0.665 9.480 63.255 -99.200 -91.000 TYR 43 0.840 -0.887 9.137 78.591 -99.200 -91.000 HIS 50 0.900 -17.945 28.838 86.364 -99.200 -91.000 PHE 67 1.000 8.413 7.600 57.645 -99.200 -91.000 HIS 69 0.900 1.460 0.063 52.986 -99.200 -91.000 TRP 74 1.040 3.072 2.084 56.480 -99.200 -91.000 TRP6 74 1.020 2.464 3.665 54.835 -99.200 -91.000 TYR 77 0.840 15.623 5.499 51.290 -99.200 -91.000 TYR 81 0.840 14.431 18.321 54.596 -99.200 -91.000 PHE 82 1.000 9.762 12.585 60.318 -99.200 -91.000 PHE 88 1.000 -6.704 20.421 70.877 -99.200 -91.000 PHE 98 1.000 -10.730 24.691 73.522 -99.200 -91.000 PHE 103 1.000 -12.193 24.029 78.515 -99.200 -91.000 TYR 114 0.840 0.618 26.881 76.776 -99.200 -91.000 PHE 115 1.000 -6.676 22.111 76.217 -99.200 -91.000 HIS 135 0.900 18.906 20.074 59.160 -99.200 -91.000 PHE 145 1.000 14.181 23.932 63.725 -99.200 -91.000 HIS 160 0.900 -0.547 14.744 50.664 -99.200 -91.000 TYR 178 0.840 -1.885 28.234 51.295 -99.200 -91.000 PHE 182 1.000 -1.262 25.950 57.227 -99.200 -91.000 TYR 183 0.840 0.479 30.915 61.549 -99.200 -91.000 HIS 185 0.900 -2.358 36.100 63.144 -99.200 -91.000 HIS 188 0.900 -5.026 40.534 63.774 -99.200 -91.000 TYR 191 0.840 -7.200 42.118 73.325 -99.200 -91.000 TYR 194 0.840 -12.439 36.205 73.629 -99.200 -91.000 PHE 201 1.000 -7.472 37.538 75.424 -99.200 -91.000 TYR 203 0.840 -3.889 28.427 73.727 -99.200 -91.000 TYR 214 0.840 5.952 19.262 65.359 -99.200 -91.000 PHE 219 1.000 13.085 8.409 62.575 -99.200 -91.000 HIS 234 0.900 10.388 -3.888 63.057 -99.200 -91.000 PHE 235 1.000 14.356 3.291 64.292 -99.200 -91.000 HIS 238 0.900 5.082 6.755 70.346 -99.200 -91.000 TYR 252 0.840 5.639 15.759 85.623 -99.200 -91.000 PHE 265 1.000 2.901 18.258 76.415 -99.200 -91.000 TYR 267 0.840 3.188 12.768 78.079 -99.200 -91.000 TYR 286 0.840 20.303 6.496 48.916 -99.200 -91.000