============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 30.700 68.321 24.919 -99.200 -91.000 TYR 38 0.840 28.765 80.685 25.485 -99.200 -91.000 PHE 42 1.000 32.263 89.088 36.778 -99.200 -91.000 PHE 70 1.000 22.904 78.378 45.285 -99.200 -91.000 TYR 73 0.840 18.619 83.187 51.241 -99.200 -91.000 TYR 78 0.840 27.293 84.153 37.254 -99.200 -91.000 TYR 82 0.840 23.408 80.365 35.677 -99.200 -91.000 HIS 86 0.900 28.403 67.941 37.588 -99.200 -91.000 PHE 98 1.000 15.538 69.798 42.061 -99.200 -91.000 TYR 108 0.840 15.842 84.235 42.259 -99.200 -91.000 TRP 118 1.040 14.643 61.259 27.879 -99.200 -91.000 TRP6 118 1.020 14.116 63.360 28.815 -99.200 -91.000 HIS 119 0.900 14.658 56.864 26.877 -99.200 -91.000 TYR 120 0.840 19.662 54.065 33.665 -99.200 -91.000 PHE 130 1.000 14.555 73.098 25.818 -99.200 -91.000 PHE 140 1.000 38.055 68.092 22.525 -99.200 -91.000 TRP 152 1.040 42.736 60.641 19.255 -99.200 -91.000 TRP6 152 1.020 41.632 62.124 20.722 -99.200 -91.000 PHE 162 1.000 35.477 68.577 26.437 -99.200 -91.000 TYR 169 0.840 44.276 71.733 22.832 -99.200 -91.000 TYR 202 0.840 43.579 56.272 29.922 -99.200 -91.000 PHE 212 1.000 49.801 43.540 38.762 -99.200 -91.000 PHE 220 1.000 50.722 38.246 37.835 -99.200 -91.000 PHE 221 1.000 49.950 34.887 41.642 -99.200 -91.000 PHE 224 1.000 46.819 39.516 42.935 -99.200 -91.000 PHE 237 1.000 32.831 47.186 42.756 -99.200 -91.000 HIS 249 0.900 36.091 50.118 26.838 -99.200 -91.000 TRP 253 1.040 38.922 41.791 24.055 -99.200 -91.000 TRP6 253 1.020 40.183 40.612 25.657 -99.200 -91.000 PHE 264 1.000 36.246 36.985 34.981 -99.200 -91.000 HIS 288 0.900 46.712 44.055 29.894 -99.200 -91.000