============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 4 1.000 13.140 48.351 27.223 -99.200 -91.000 TYR 9 0.840 30.468 49.250 29.894 -99.200 -91.000 TYR 11 0.840 35.768 45.940 30.811 -99.200 -91.000 HIS 13 0.900 41.863 40.539 29.138 -99.200 -91.000 HIS 27 0.900 25.054 39.084 38.096 -99.200 -91.000 HIS 28 0.900 23.137 46.440 44.757 -99.200 -91.000 HIS 29 0.900 22.271 49.120 40.774 -99.200 -91.000 HIS 30 0.900 17.480 41.702 40.610 -99.200 -91.000 HIS 38 0.900 33.280 41.350 26.869 -99.200 -91.000 HIS 40 0.900 35.831 38.440 24.389 -99.200 -91.000 HIS 43 0.900 45.914 38.813 21.585 -99.200 -91.000 HIS 61 0.900 22.970 57.100 41.066 -99.200 -91.000 PHE 62 1.000 23.935 49.911 36.045 -99.200 -91.000 HIS 74 0.900 36.989 55.396 23.780 -99.200 -91.000 HIS 76 0.900 27.018 57.509 23.050 -99.200 -91.000