============================================================================= 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. HIS 4 0.900 -21.410 46.712 26.086 -99.200 -91.000 TYR 8 0.840 -10.399 46.349 25.300 -99.200 -91.000 TRP 12 1.040 -6.588 44.448 23.067 -99.200 -91.000 TRP6 12 1.020 -4.737 45.414 21.941 -99.200 -91.000 TYR 23 0.840 2.636 40.223 22.803 -99.200 -91.000 TYR 51 0.840 7.345 40.720 25.278 -99.200 -91.000 HIS 57 0.900 11.615 42.451 33.395 -99.200 -91.000 TYR 71 0.840 -11.283 36.713 29.092 -99.200 -91.000 PHE 76 1.000 -0.246 37.053 29.694 -99.200 -91.000 TRP 81 1.040 -2.297 39.113 36.108 -99.200 -91.000 TRP6 81 1.020 -1.576 40.687 34.517 -99.200 -91.000 PHE 96 1.000 4.777 48.191 41.362 -99.200 -91.000 PHE 107 1.000 -13.282 54.410 31.772 -99.200 -91.000 HIS 121 0.900 5.481 61.323 42.810 -99.200 -91.000 PHE 134 1.000 -2.214 60.574 26.703 -99.200 -91.000 TRP 140 1.040 -5.233 64.668 30.005 -99.200 -91.000 TRP6 140 1.020 -4.578 63.073 31.605 -99.200 -91.000 PHE 142 1.000 -0.602 63.918 22.674 -99.200 -91.000 PHE 145 1.000 0.310 62.605 30.289 -99.200 -91.000 PHE 160 1.000 11.599 58.496 23.202 -99.200 -91.000 TRP 163 1.040 4.005 52.582 22.780 -99.200 -91.000 TRP6 163 1.020 4.382 52.663 25.112 -99.200 -91.000 PHE 168 1.000 4.958 64.862 21.383 -99.200 -91.000 PHE 174 1.000 0.361 56.667 21.078 -99.200 -91.000 PHE 179 1.000 5.740 61.960 32.615 -99.200 -91.000