============================================================================= 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. PHE 17 1.000 23.515 68.855 16.752 -99.200 -91.000 PHE 22 1.000 23.989 65.127 20.260 -99.200 -91.000 TYR 43 0.840 8.318 76.234 7.191 -99.200 -91.000 HIS 44 0.900 12.455 73.717 6.203 -99.200 -91.000 PHE 45 1.000 15.441 70.694 10.669 -99.200 -91.000 PHE 56 1.000 21.405 60.429 16.697 -99.200 -91.000 PHE 59 1.000 24.056 59.685 9.901 -99.200 -91.000 PHE 63 1.000 20.504 49.766 9.705 -99.200 -91.000 HIS 82 0.900 13.142 29.134 13.636 -99.200 -91.000 HIS 90 0.900 28.531 38.075 8.391 -99.200 -91.000 PHE 110 1.000 23.731 55.811 13.747 -99.200 -91.000 PHE 118 1.000 23.686 54.760 24.381 -99.200 -91.000 HIS 124 0.900 16.488 64.767 22.349 -99.200 -91.000 TYR 128 0.840 12.603 61.141 16.231 -99.200 -91.000 TYR 133 0.840 13.792 55.438 12.708 -99.200 -91.000 PHE 137 1.000 17.052 49.456 15.076 -99.200 -91.000 TYR 140 0.840 18.921 42.620 14.326 -99.200 -91.000 PHE 157 1.000 20.532 47.604 29.104 -99.200 -91.000 TRP 158 1.040 24.187 45.557 31.943 -99.200 -91.000 TRP6 158 1.020 24.886 47.826 31.736 -99.200 -91.000 HIS 161 0.900 22.647 48.809 25.428 -99.200 -91.000 PHE 162 1.000 29.185 44.354 28.202 -99.200 -91.000 PHE 169 1.000 37.446 52.813 20.860 -99.200 -91.000 PHE 185 1.000 49.300 44.801 13.239 -99.200 -91.000 HIS 196 0.900 31.658 41.823 6.115 -99.200 -91.000 PHE 201 1.000 35.325 40.580 20.424 -99.200 -91.000 PHE 202 1.000 30.344 43.004 17.909 -99.200 -91.000