============================================================================= 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 34 0.840 50.755 30.349 8.609 -99.200 -91.000 HIS 37 0.900 47.715 19.522 13.124 -99.200 -91.000 PHE 38 1.000 52.935 18.901 6.781 -99.200 -91.000 HIS 62 0.900 42.960 13.637 -9.546 -99.200 -91.000 HIS 76 0.900 29.634 23.847 2.741 -99.200 -91.000 TYR 79 0.840 34.944 18.064 11.029 -99.200 -91.000 TYR 106 0.840 37.896 33.004 1.145 -99.200 -91.000 TYR 108 0.840 42.714 26.571 -9.362 -99.200 -91.000 TRP 113 1.040 53.126 26.889 -4.259 -99.200 -91.000 TRP6 113 1.020 52.972 24.564 -3.876 -99.200 -91.000 HIS 128 0.900 35.674 33.525 4.345 -99.200 -91.000 HIS 130 0.900 39.430 36.619 14.111 -99.200 -91.000