============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 2.239 30.124 35.753 -99.200 -91.000 TRP 15 1.040 6.622 23.569 20.558 -99.200 -91.000 TRP6 15 1.020 5.706 21.958 19.081 -99.200 -91.000 HIS 16 0.900 9.297 28.081 23.292 -99.200 -91.000 TYR 24 0.840 18.247 35.584 13.462 -99.200 -91.000 PHE 51 1.000 0.916 45.177 31.872 -99.200 -91.000 HIS 53 0.900 -7.204 48.300 37.800 -99.200 -91.000 PHE 56 1.000 -5.348 48.755 27.619 -99.200 -91.000 HIS 59 0.900 -10.080 55.302 17.439 -99.200 -91.000 HIS 61 0.900 -9.358 48.340 19.266 -99.200 -91.000 PHE 67 1.000 1.620 57.739 12.138 -99.200 -91.000 TYR 88 0.840 -2.925 21.958 32.725 -99.200 -91.000 TRP 100 1.040 7.138 45.266 16.788 -99.200 -91.000 TRP6 100 1.020 6.878 43.911 18.762 -99.200 -91.000 HIS 110 0.900 13.838 51.631 14.650 -99.200 -91.000 TYR 115 0.840 12.476 47.488 0.990 -99.200 -91.000 PHE 123 1.000 0.321 50.470 9.252 -99.200 -91.000 TYR 136 0.840 -12.726 34.296 21.787 -99.200 -91.000 TYR 137 0.840 -5.533 38.209 19.573 -99.200 -91.000 PHE 139 1.000 -4.138 43.639 18.210 -99.200 -91.000 TYR 147 0.840 11.159 43.496 7.216 -99.200 -91.000 TRP 149 1.040 16.077 39.141 6.464 -99.200 -91.000 TRP6 149 1.020 17.129 38.162 8.378 -99.200 -91.000 TRP 156 1.040 13.755 39.028 -0.649 -99.200 -91.000 TRP6 156 1.020 12.834 41.126 -1.058 -99.200 -91.000 HIS 160 0.900 7.695 39.868 9.873 -99.200 -91.000 HIS 162 0.900 8.278 41.493 14.976 -99.200 -91.000 PHE 163 1.000 -0.067 39.045 17.292 -99.200 -91.000 TYR 179 0.840 6.335 33.933 10.474 -99.200 -91.000 PHE 180 1.000 -0.459 37.895 7.651 -99.200 -91.000 TYR 221 0.840 -5.193 36.258 6.842 -99.200 -91.000 PHE 223 1.000 -0.563 33.995 16.099 -99.200 -91.000 HIS 234 0.900 0.216 18.447 42.567 -99.200 -91.000 PHE 235 1.000 -0.471 15.288 47.312 -99.200 -91.000