============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 15 1.000 22.249 44.034 24.719 -99.200 -91.000 PHE 16 1.000 24.784 39.584 26.262 -99.200 -91.000 TYR 26 0.840 31.731 53.624 20.041 -99.200 -91.000 TYR 32 0.840 43.774 49.135 23.293 -99.200 -91.000 PHE 35 1.000 42.685 37.442 20.872 -99.200 -91.000 TYR 49 0.840 37.142 31.089 27.106 -99.200 -91.000 HIS 56 0.900 46.707 33.312 25.088 -99.200 -91.000 TYR 72 0.840 36.739 38.942 37.065 -99.200 -91.000 PHE 82 1.000 26.021 44.924 29.516 -99.200 -91.000 HIS 85 0.900 27.030 46.420 40.681 -99.200 -91.000 TYR 98 0.840 13.287 50.537 40.053 -99.200 -91.000 PHE 105 1.000 2.235 48.074 36.176 -99.200 -91.000 HIS 107 0.900 3.479 50.701 25.787 -99.200 -91.000 TYR 109 0.840 -2.765 50.472 35.489 -99.200 -91.000 HIS 118 0.900 9.108 40.283 34.289 -99.200 -91.000 PHE 125 1.000 21.145 36.001 33.232 -99.200 -91.000 TYR 132 0.840 10.735 40.322 40.793 -99.200 -91.000 PHE 135 1.000 5.780 44.206 34.556 -99.200 -91.000 PHE 148 1.000 6.315 38.785 39.308 -99.200 -91.000 PHE 151 1.000 11.251 31.537 29.938 -99.200 -91.000 HIS 153 0.900 19.101 27.200 31.753 -99.200 -91.000 PHE 155 1.000 17.358 31.324 21.524 -99.200 -91.000 TYR 173 0.840 -1.116 35.561 32.727 -99.200 -91.000 PHE 177 1.000 9.408 43.658 31.322 -99.200 -91.000 PHE 179 1.000 14.608 36.487 30.263 -99.200 -91.000 PHE 207 1.000 14.970 46.380 29.492 -99.200 -91.000 PHE 211 1.000 19.700 40.148 14.822 -99.200 -91.000 TYR 217 0.840 3.345 40.615 10.569 -99.200 -91.000 TYR 232 0.840 32.137 57.584 24.231 -99.200 -91.000 TYR 252 0.840 30.942 55.892 34.375 -99.200 -91.000