============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 22 0.900 56.944 8.781 36.616 -99.200 -91.000 PHE 24 1.000 57.706 11.025 42.580 -99.200 -91.000 TRP 32 1.040 57.452 15.237 47.217 -99.200 -91.000 TRP6 32 1.020 55.655 14.220 48.366 -99.200 -91.000 PHE 35 1.000 54.317 3.107 47.790 -99.200 -91.000 HIS 47 0.900 47.517 -4.419 34.351 -99.200 -91.000 PHE 55 1.000 48.521 3.572 49.742 -99.200 -91.000 TYR 60 0.840 51.727 6.756 50.207 -99.200 -91.000 TYR 69 0.840 45.887 11.439 26.817 -99.200 -91.000 TRP 70 1.040 46.036 16.970 27.523 -99.200 -91.000 TRP6 70 1.020 44.040 16.262 26.476 -99.200 -91.000 PHE 78 1.000 47.825 26.861 32.505 -99.200 -91.000 HIS 79 0.900 46.720 22.365 34.082 -99.200 -91.000 HIS 81 0.900 53.586 18.107 37.403 -99.200 -91.000 PHE 86 1.000 46.746 10.225 48.369 -99.200 -91.000 TYR 96 0.840 43.469 6.199 50.539 -99.200 -91.000 TYR 99 0.840 36.819 7.635 40.035 -99.200 -91.000 TYR 105 0.840 44.954 26.033 27.436 -99.200 -91.000 TYR 107 0.840 44.823 19.101 37.150 -99.200 -91.000