============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 35.153 1.836 2.717 -99.200 -91.000 HIS 15 0.900 28.178 13.148 12.959 -99.200 -91.000 HIS 61 0.900 24.451 -6.880 21.738 -99.200 -91.000 PHE 68 1.000 29.040 -0.883 32.488 -99.200 -91.000 HIS 82 0.900 45.479 -1.975 19.483 -99.200 -91.000 PHE 84 1.000 38.973 -0.744 19.008 -99.200 -91.000 PHE 87 1.000 26.710 -0.270 16.538 -99.200 -91.000 PHE 92 1.000 19.746 4.094 23.222 -99.200 -91.000 TYR 103 0.840 23.110 8.416 23.407 -99.200 -91.000 PHE 108 1.000 24.287 -1.183 31.250 -99.200 -91.000 TRP 113 1.040 30.283 3.638 27.962 -99.200 -91.000 TRP6 113 1.020 29.622 1.966 26.397 -99.200 -91.000 HIS 120 0.900 14.877 -2.080 16.133 -99.200 -91.000 HIS 139 0.900 31.678 17.575 19.167 -99.200 -91.000 TYR 159 0.840 10.505 -0.685 10.341 -99.200 -91.000 HIS 170 0.900 15.562 13.383 12.450 -99.200 -91.000 PHE 173 1.000 22.478 11.335 17.517 -99.200 -91.000 PHE 177 1.000 20.503 4.497 6.419 -99.200 -91.000 PHE 189 1.000 22.869 9.718 5.463 -99.200 -91.000 HIS 191 0.900 24.267 2.065 3.042 -99.200 -91.000 TYR 209 0.840 25.323 -16.340 10.781 -99.200 -91.000 TYR 243 0.840 34.295 -13.861 9.212 -99.200 -91.000 TRP 248 1.040 40.935 -3.346 1.919 -99.200 -91.000 TRP6 248 1.020 40.084 -1.296 2.758 -99.200 -91.000 TYR 251 0.840 36.585 -0.046 -0.305 -99.200 -91.000