============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 4 0.840 42.378 94.956 22.378 -99.200 -91.000 TYR 15 0.840 36.518 111.518 21.753 -99.200 -91.000 PHE 18 1.000 35.481 112.337 16.587 -99.200 -91.000 PHE 26 1.000 39.549 122.598 22.524 -99.200 -91.000 PHE 28 1.000 42.915 116.412 22.184 -99.200 -91.000 TRP 37 1.040 39.164 109.495 28.199 -99.200 -91.000 TRP6 37 1.020 39.002 110.517 26.065 -99.200 -91.000 HIS 44 0.900 40.694 97.100 38.196 -99.200 -91.000 PHE 47 1.000 40.251 96.146 33.405 -99.200 -91.000 TYR 60 0.840 40.751 97.413 28.759 -99.200 -91.000 PHE 76 1.000 28.388 107.401 9.145 -99.200 -91.000 PHE 106 1.000 41.828 114.449 46.545 -99.200 -91.000 TYR 110 0.840 45.724 111.146 39.712 -99.200 -91.000 PHE 114 1.000 40.483 108.491 40.622 -99.200 -91.000 TYR 121 0.840 35.165 95.257 34.135 -99.200 -91.000 PHE 127 1.000 21.853 97.756 44.136 -99.200 -91.000 TYR 145 0.840 37.442 102.372 38.226 -99.200 -91.000 TRP 157 1.040 24.262 118.998 41.224 -99.200 -91.000 TRP6 157 1.020 24.694 117.161 39.794 -99.200 -91.000 PHE 182 1.000 18.108 102.817 42.877 -99.200 -91.000 PHE 186 1.000 21.388 99.861 38.937 -99.200 -91.000 TYR 195 0.840 38.008 103.300 29.087 -99.200 -91.000 TYR 205 0.840 31.942 111.675 43.977 -99.200 -91.000 PHE 206 1.000 36.803 110.184 44.066 -99.200 -91.000