============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 11 1.000 142.516 37.679 -26.904 -99.200 -91.000 PHE 31 1.000 120.793 23.263 8.095 -99.200 -91.000 TRP 63 1.040 133.319 21.167 4.651 -99.200 -91.000 TRP6 63 1.020 132.121 21.046 6.656 -99.200 -91.000 PHE 74 1.000 122.554 29.007 10.153 -99.200 -91.000 TYR 90 0.840 120.379 32.636 28.669 -99.200 -91.000 PHE 107 1.000 139.459 21.439 11.555 -99.200 -91.000 PHE 121 1.000 118.671 28.309 20.701 -99.200 -91.000 HIS 124 0.900 107.273 31.434 20.933 -99.200 -91.000 TYR 135 0.840 104.891 43.077 18.094 -99.200 -91.000 HIS 152 0.900 126.250 32.399 19.847 -99.200 -91.000 HIS 182 0.900 134.017 38.488 24.785 -99.200 -91.000 TYR 190 0.840 121.579 36.384 9.088 -99.200 -91.000 TYR 194 0.840 113.775 41.960 1.505 -99.200 -91.000 TYR 198 0.840 112.544 32.170 -3.568 -99.200 -91.000 TYR 199 0.840 113.718 33.011 4.861 -99.200 -91.000 PHE 202 1.000 117.700 27.680 8.697 -99.200 -91.000 TYR 208 0.840 109.917 38.390 13.396 -99.200 -91.000 HIS 220 0.900 115.478 54.874 4.999 -99.200 -91.000 TYR 241 0.840 114.261 39.080 -1.596 -99.200 -91.000 PHE 252 1.000 123.970 52.191 3.351 -99.200 -91.000 PHE 257 1.000 130.344 39.242 4.258 -99.200 -91.000 TYR 259 0.840 121.979 31.739 4.768 -99.200 -91.000 TYR 265 0.840 121.925 22.566 -1.868 -99.200 -91.000 HIS 268 0.900 119.832 27.602 -8.315 -99.200 -91.000 TRP 276 1.040 113.802 18.907 -15.646 -99.200 -91.000 TRP6 276 1.020 112.218 19.300 -13.948 -99.200 -91.000 PHE 289 1.000 124.030 34.766 -4.564 -99.200 -91.000 TYR 300 0.840 122.390 25.846 3.262 -99.200 -91.000 PHE 301 1.000 124.310 24.586 -5.050 -99.200 -91.000