============================================================================= 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 52.104 30.059 51.039 -99.200 -91.000 PHE 24 1.000 56.474 27.475 46.623 -99.200 -91.000 TRP 32 1.040 58.887 23.187 42.626 -99.200 -91.000 TRP6 32 1.020 58.181 24.260 40.653 -99.200 -91.000 PHE 35 1.000 56.909 35.042 40.753 -99.200 -91.000 HIS 47 0.900 43.127 41.476 46.703 -99.200 -91.000 PHE 55 1.000 53.574 35.417 35.570 -99.200 -91.000 TYR 60 0.840 56.347 31.808 37.172 -99.200 -91.000 TYR 69 0.840 38.028 27.188 52.430 -99.200 -91.000 TRP 70 1.040 38.389 21.808 51.994 -99.200 -91.000 TRP6 70 1.020 36.161 22.549 51.809 -99.200 -91.000 PHE 78 1.000 42.523 12.089 48.720 -99.200 -91.000 HIS 79 0.900 42.513 16.631 46.844 -99.200 -91.000 HIS 81 0.900 50.183 20.677 48.364 -99.200 -91.000 PHE 86 1.000 51.002 28.627 35.341 -99.200 -91.000 TYR 96 0.840 49.813 32.791 32.021 -99.200 -91.000 TYR 99 0.840 38.111 31.305 36.282 -99.200 -91.000 TYR 105 0.840 37.444 12.804 51.219 -99.200 -91.000 TYR 107 0.840 43.059 19.816 43.138 -99.200 -91.000