============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 9 0.840 20.572 3.996 29.397 -99.200 -91.000 HIS 11 0.900 24.592 6.583 24.816 -99.200 -91.000 PHE 17 1.000 25.435 14.853 30.165 -99.200 -91.000 TYR 42 0.840 20.806 1.174 21.740 -99.200 -91.000 PHE 46 1.000 11.631 -3.564 23.054 -99.200 -91.000 PHE 65 1.000 0.810 -8.683 10.527 -99.200 -91.000 TYR 67 0.840 2.585 -4.512 14.909 -99.200 -91.000 HIS 72 0.900 -8.281 -3.483 19.540 -99.200 -91.000 TYR 75 0.840 -3.859 -5.412 26.061 -99.200 -91.000 PHE 99 1.000 9.135 7.171 27.396 -99.200 -91.000 PHE 101 1.000 14.555 10.590 23.858 -99.200 -91.000 TYR 104 0.840 20.669 7.961 17.837 -99.200 -91.000 TRP 105 1.040 18.775 11.123 11.489 -99.200 -91.000 TRP6 105 1.020 19.774 12.961 10.377 -99.200 -91.000 PHE 106 1.000 15.605 18.564 14.212 -99.200 -91.000 TRP 115 1.040 9.563 0.264 25.490 -99.200 -91.000 TRP6 115 1.020 7.926 1.769 26.279 -99.200 -91.000 PHE 124 1.000 -0.255 -1.288 28.333 -99.200 -91.000 PHE 126 1.000 -4.164 3.387 20.462 -99.200 -91.000 PHE 131 1.000 -8.731 9.550 20.123 -99.200 -91.000 TYR 132 0.840 -4.769 13.425 21.147 -99.200 -91.000 TYR 155 0.840 18.017 21.482 18.795 -99.200 -91.000 TYR 166 0.840 9.167 25.454 16.408 -99.200 -91.000 PHE 167 1.000 13.611 18.278 19.940 -99.200 -91.000 TRP 169 1.040 2.633 18.046 17.249 -99.200 -91.000 TRP6 169 1.020 1.026 19.050 18.656 -99.200 -91.000 HIS 173 0.900 -1.326 16.697 21.029 -99.200 -91.000 HIS 177 0.900 -2.728 15.542 25.494 -99.200 -91.000 PHE 178 1.000 -3.811 8.555 20.030 -99.200 -91.000 PHE 181 1.000 2.379 7.658 29.662 -99.200 -91.000 PHE 190 1.000 19.060 22.675 24.659 -99.200 -91.000 TRP 207 1.040 18.085 13.704 35.286 -99.200 -91.000 TRP6 207 1.020 15.768 13.993 34.892 -99.200 -91.000 TRP 215 1.040 7.839 11.835 43.321 -99.200 -91.000 TRP6 215 1.020 6.894 10.455 41.649 -99.200 -91.000 HIS 225 0.900 0.085 29.511 23.441 -99.200 -91.000 TRP 226 1.040 4.340 24.076 26.846 -99.200 -91.000 TRP6 226 1.020 6.030 22.598 26.076 -99.200 -91.000 HIS 227 0.900 4.120 20.465 22.249 -99.200 -91.000 PHE 228 1.000 3.994 22.914 16.935 -99.200 -91.000