============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 15 1.000 10.636 35.396 6.373 -99.200 -91.000 PHE 29 1.000 1.580 43.652 13.379 -99.200 -91.000 HIS 35 0.900 18.203 31.083 11.707 -99.200 -91.000 HIS 46 0.900 16.603 33.054 7.003 -99.200 -91.000 TRP 48 1.040 8.973 40.371 8.432 -99.200 -91.000 TRP6 48 1.020 8.043 42.533 8.676 -99.200 -91.000 TYR 72 0.840 22.957 40.450 -0.213 -99.200 -91.000 HIS 83 0.900 15.791 47.847 7.667 -99.200 -91.000 PHE 97 1.000 4.720 47.873 10.588 -99.200 -91.000 TYR 108 0.840 2.340 48.499 2.402 -99.200 -91.000 PHE 110 1.000 5.846 37.995 5.538 -99.200 -91.000 PHE 111 1.000 11.305 42.278 0.408 -99.200 -91.000 HIS 115 0.900 18.419 33.589 2.548 -99.200 -91.000