============================================================================= 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. TYR 3 0.840 29.993 62.929 10.799 -99.200 -91.000 TYR 7 0.840 22.960 58.306 16.058 -99.200 -91.000 PHE 20 1.000 16.114 76.281 12.088 -99.200 -91.000 PHE 24 1.000 15.457 79.138 2.052 -99.200 -91.000 PHE 45 1.000 10.393 93.834 8.026 -99.200 -91.000 PHE 59 1.000 26.931 87.291 26.614 -99.200 -91.000 TYR 66 0.840 42.123 98.265 21.840 -99.200 -91.000 PHE 68 1.000 28.254 97.220 21.071 -99.200 -91.000 TYR 71 0.840 24.844 98.067 24.330 -99.200 -91.000 TRP 78 1.040 17.189 95.318 26.707 -99.200 -91.000 TRP6 78 1.020 19.079 96.526 26.012 -99.200 -91.000 TYR 86 0.840 6.193 92.297 18.278 -99.200 -91.000 HIS 99 0.900 28.850 83.934 27.786 -99.200 -91.000 TYR 106 0.840 17.462 85.471 30.664 -99.200 -91.000 PHE 120 1.000 38.091 70.669 19.035 -99.200 -91.000 TYR 148 0.840 36.005 63.921 12.437 -99.200 -91.000 TYR 152 0.840 35.186 67.380 20.232 -99.200 -91.000 PHE 171 1.000 42.641 82.404 -5.356 -99.200 -91.000 PHE 177 1.000 35.465 85.757 6.274 -99.200 -91.000 HIS 192 0.900 21.780 62.844 11.554 -99.200 -91.000 HIS 201 0.900 28.365 87.594 9.566 -99.200 -91.000 TYR 217 0.840 14.043 78.130 -2.797 -99.200 -91.000 HIS 229 0.900 20.621 98.421 12.401 -99.200 -91.000 PHE 245 1.000 12.822 96.557 9.770 -99.200 -91.000 PHE 248 1.000 13.764 89.352 5.528 -99.200 -91.000 TRP 260 1.040 10.305 79.775 0.512 -99.200 -91.000 TRP6 260 1.020 10.008 81.804 1.703 -99.200 -91.000