============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 11 0.840 -8.182 42.321 27.790 -99.200 -91.000 HIS 13 0.900 -7.526 47.197 36.998 -99.200 -91.000 PHE 17 1.000 -2.657 35.754 25.145 -99.200 -91.000 PHE 21 1.000 -11.963 35.579 37.096 -99.200 -91.000 HIS 22 0.900 -6.293 38.318 30.709 -99.200 -91.000 HIS 42 0.900 -15.094 53.164 32.951 -99.200 -91.000 PHE 45 1.000 -12.902 46.416 36.575 -99.200 -91.000 PHE 69 1.000 -23.321 41.153 31.914 -99.200 -91.000 HIS 78 0.900 -20.354 27.679 16.644 -99.200 -91.000 TRP 106 1.040 -22.089 27.622 33.683 -99.200 -91.000 TRP6 106 1.020 -20.693 25.716 33.670 -99.200 -91.000 PHE 110 1.000 -13.828 27.977 24.262 -99.200 -91.000