============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 4 1.040 44.985 26.234 99.589 -99.200 -91.000 TRP6 4 1.020 43.858 24.654 100.940 -99.200 -91.000 TYR 10 0.840 51.197 18.887 106.886 -99.200 -91.000 HIS 12 0.900 41.441 23.287 104.608 -99.200 -91.000 PHE 13 1.000 46.492 16.479 103.127 -99.200 -91.000 TRP 22 1.040 29.720 13.201 112.362 -99.200 -91.000 TRP6 22 1.020 27.876 13.042 110.917 -99.200 -91.000 TYR 26 0.840 23.743 9.822 110.896 -99.200 -91.000 TYR 27 0.840 26.971 6.890 105.748 -99.200 -91.000 TYR 32 0.840 26.006 -4.031 112.122 -99.200 -91.000 TYR 42 0.840 22.468 -5.419 106.935 -99.200 -91.000 TYR 50 0.840 31.780 -3.732 104.408 -99.200 -91.000 HIS 54 0.900 35.025 7.340 100.235 -99.200 -91.000 TYR 65 0.840 50.496 16.693 99.263 -99.200 -91.000 TYR 67 0.840 48.094 16.001 109.736 -99.200 -91.000 TYR 76 0.840 28.132 10.405 115.461 -99.200 -91.000 HIS 83 0.900 35.957 20.453 109.244 -99.200 -91.000 PHE 86 1.000 24.065 19.861 104.651 -99.200 -91.000 PHE 97 1.000 17.741 15.373 100.100 -99.200 -91.000 TYR 100 0.840 19.298 18.638 108.855 -99.200 -91.000 TYR 119 0.840 22.417 18.759 97.704 -99.200 -91.000 TRP 122 1.040 25.410 17.467 90.119 -99.200 -91.000 TRP6 122 1.020 23.219 17.953 89.347 -99.200 -91.000 TYR 137 0.840 35.606 23.555 102.300 -99.200 -91.000 PHE 143 1.000 37.199 19.294 103.780 -99.200 -91.000 TYR 144 0.840 37.529 14.659 99.793 -99.200 -91.000 HIS 156 0.900 55.985 21.002 101.464 -99.200 -91.000 PHE 180 1.000 48.916 17.400 92.166 -99.200 -91.000 TRP 199 1.040 22.868 3.573 92.199 -99.200 -91.000 TRP6 199 1.020 21.198 2.312 93.308 -99.200 -91.000 HIS 201 0.900 29.146 6.100 99.545 -99.200 -91.000 PHE 202 1.000 21.905 12.945 96.363 -99.200 -91.000 PHE 205 1.000 23.768 6.463 101.668 -99.200 -91.000 PHE 207 1.000 16.213 1.827 95.275 -99.200 -91.000 TRP 213 1.040 11.600 3.284 103.908 -99.200 -91.000 TRP6 213 1.020 12.707 5.005 105.052 -99.200 -91.000 TYR 217 0.840 17.296 -5.512 115.824 -99.200 -91.000 PHE 240 1.000 34.400 4.426 117.065 -99.200 -91.000 PHE 243 1.000 38.571 -0.044 113.890 -99.200 -91.000 PHE 250 1.000 44.179 6.219 109.593 -99.200 -91.000 PHE 259 1.000 42.661 -3.066 110.309 -99.200 -91.000 TRP 273 1.040 20.663 -0.518 116.443 -99.200 -91.000 TRP6 273 1.020 19.100 1.155 116.969 -99.200 -91.000 TYR 281 0.840 29.110 4.151 117.342 -99.200 -91.000