============================================================================= 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 9 1.000 9.062 39.692 -8.550 -99.200 -91.000 HIS 30 0.900 33.674 48.518 12.806 -99.200 -91.000 TYR 36 0.840 30.244 50.835 9.228 -99.200 -91.000 TYR 38 0.840 26.425 52.008 3.476 -99.200 -91.000 TRP 39 1.040 17.752 49.669 3.191 -99.200 -91.000 TRP6 39 1.020 16.860 47.605 2.476 -99.200 -91.000 TYR 40 0.840 23.754 51.797 -2.647 -99.200 -91.000 HIS 49 0.900 18.132 56.945 -6.155 -99.200 -91.000 TYR 53 0.840 24.498 58.311 5.459 -99.200 -91.000 HIS 54 0.900 27.629 55.123 8.265 -99.200 -91.000 PHE 66 1.000 11.786 56.350 0.159 -99.200 -91.000 PHE 75 1.000 20.595 44.205 7.812 -99.200 -91.000 TYR 90 0.840 12.797 50.877 -3.078 -99.200 -91.000 TYR 91 0.840 19.427 46.356 -6.817 -99.200 -91.000 HIS 94 0.900 29.323 43.682 2.742 -99.200 -91.000 PHE 102 1.000 26.314 46.305 -4.516 -99.200 -91.000 PHE 122 1.000 1.000 52.265 -34.303 -99.200 -91.000 PHE 139 1.000 3.336 50.743 -29.843 -99.200 -91.000 PHE 143 1.000 -1.478 46.362 -19.785 -99.200 -91.000 TYR 144 0.840 -2.421 47.683 -11.301 -99.200 -91.000 TRP 152 1.040 -0.422 39.693 -33.230 -99.200 -91.000 TRP6 152 1.020 -0.701 41.708 -34.407 -99.200 -91.000 TRP 167 1.040 3.398 42.607 -20.226 -99.200 -91.000 TRP6 167 1.020 3.455 40.645 -21.518 -99.200 -91.000 TYR 177 0.840 2.547 46.769 -14.388 -99.200 -91.000 TYR 190 0.840 1.291 43.128 -44.973 -99.200 -91.000 HIS 193 0.900 -3.046 35.005 -45.607 -99.200 -91.000 TYR 196 0.840 -2.137 40.993 -42.237 -99.200 -91.000 HIS 202 0.900 -6.316 44.563 -18.082 -99.200 -91.000 PHE 213 1.000 -3.229 46.371 -40.923 -99.200 -91.000