============================================================================= 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. TRP 7 1.040 12.945 46.461 41.856 -99.200 -91.000 TRP6 7 1.020 13.975 47.938 40.319 -99.200 -91.000 TRP 26 1.040 22.832 28.685 52.006 -99.200 -91.000 TRP6 26 1.020 24.802 28.992 50.753 -99.200 -91.000 PHE 28 1.000 17.857 27.892 44.613 -99.200 -91.000 HIS 61 0.900 27.996 25.807 57.888 -99.200 -91.000 PHE 68 1.000 20.048 36.380 53.996 -99.200 -91.000 PHE 70 1.000 30.243 34.108 57.065 -99.200 -91.000 TYR 72 0.840 24.518 39.593 49.087 -99.200 -91.000 TYR 74 0.840 32.202 31.638 46.151 -99.200 -91.000 TYR 87 0.840 29.148 24.793 39.488 -99.200 -91.000 TYR 89 0.840 19.626 23.540 43.398 -99.200 -91.000 TYR 108 0.840 28.355 42.344 52.414 -99.200 -91.000 PHE 113 1.000 20.244 44.414 61.655 -99.200 -91.000 PHE 139 1.000 6.226 31.784 54.741 -99.200 -91.000 TYR 142 0.840 0.434 33.216 50.504 -99.200 -91.000 PHE 147 1.000 1.381 34.478 56.479 -99.200 -91.000 HIS 157 0.900 12.663 29.840 53.450 -99.200 -91.000 TYR 164 0.840 7.735 50.055 47.875 -99.200 -91.000 TYR 168 0.840 0.456 43.820 48.338 -99.200 -91.000 TRP 169 1.040 7.447 44.399 53.377 -99.200 -91.000 TRP6 169 1.020 8.722 46.244 52.633 -99.200 -91.000 TRP 175 1.040 10.351 26.639 50.004 -99.200 -91.000 TRP6 175 1.020 8.908 27.159 51.806 -99.200 -91.000 TYR 178 0.840 3.221 23.579 40.046 -99.200 -91.000 TRP 179 1.040 4.699 28.079 49.589 -99.200 -91.000 TRP6 179 1.020 5.326 30.355 49.749 -99.200 -91.000 TYR 184 0.840 7.342 36.120 42.685 -99.200 -91.000 TYR 203 0.840 23.130 41.816 55.616 -99.200 -91.000 TYR 204 0.840 21.360 47.962 49.707 -99.200 -91.000