============================================================================= 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 5 1.000 -0.170 12.887 -8.874 -99.200 -91.000 TYR 9 0.840 0.087 7.122 1.285 -99.200 -91.000 PHE 10 1.000 6.299 10.253 1.449 -99.200 -91.000 HIS 17 0.900 4.288 8.121 12.092 -99.200 -91.000 HIS 28 0.900 11.086 15.200 20.531 -99.200 -91.000 TYR 33 0.840 7.793 9.915 7.401 -99.200 -91.000 TYR 34 0.840 13.132 15.921 7.415 -99.200 -91.000 HIS 58 0.900 6.760 17.250 -1.039 -99.200 -91.000 TYR 63 0.840 9.655 21.383 9.902 -99.200 -91.000 HIS 75 0.900 3.524 30.845 22.151 -99.200 -91.000 HIS 76 0.900 10.008 31.778 25.613 -99.200 -91.000 HIS 77 0.900 5.100 35.709 30.483 -99.200 -91.000 HIS 78 0.900 7.479 38.371 26.193 -99.200 -91.000 HIS 79 0.900 13.048 36.422 31.244 -99.200 -91.000 HIS 80 0.900 13.903 44.476 29.898 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2js1A14 MET 1 HA 0.05 0.00 0.18 -0.75 4.52 4.00 2js1A14 MET 1 HB2 0.02 0.00 0.03 -0.04 2.15 2.16 2js1A14 MET 1 HB3 0.00 -0.03 -0.04 -0.04 2.03 1.93 2js1A14 MET 1 HG2 0.02 0.01 -0.03 -0.04 2.63 2.58 2js1A14 MET 1 HG3 0.03 0.01 -0.06 -0.04 2.56 2.50 2js1A14 MET 1 HE3 0.03 0.00 0.00 -0.04 2.10 2.09 2js1A14 SER 2 H -0.05 0.21 -0.06 -0.55 8.46 8.01 2js1A14 SER 2 HA -0.36 0.09 0.42 -0.75 4.49 3.89 2js1A14 SER 2 HB2 -0.02 0.20 -0.08 -0.04 3.95 4.01 2js1A14 SER 2 HB3 -0.07 -0.03 0.02 -0.04 3.93 3.81 2js1A14 GLU 3 H -0.34 0.23 0.00 -0.55 8.60 7.94 2js1A14 GLU 3 HA -0.10 0.13 0.73 -0.75 4.29 4.29 2js1A14 GLU 3 HB2 0.01 0.04 0.21 -0.04 2.09 2.31 2js1A14 GLU 3 HB3 0.05 -0.10 0.14 -0.04 1.99 2.04 2js1A14 GLU 3 HG2 -0.01 0.04 0.01 -0.04 2.34 2.33 2js1A14 GLU 3 HG3 -0.02 0.01 -0.01 -0.04 2.34 2.28 2js1A14 LEU 4 H -0.16 0.41 0.06 -0.55 8.37 8.14 2js1A14 LEU 4 HA 0.02 0.10 0.32 -0.75 4.35 4.04 2js1A14 LEU 4 HB2 0.03 -0.01 0.01 -0.04 1.64 1.64 2js1A14 LEU 4 HB3 0.11 0.02 0.03 -0.04 1.64 1.77 2js1A14 LEU 4 HG -0.13 0.13 0.02 -0.04 1.64 1.61 2js1A14 LEU 4 HD13 0.04 0.00 -0.00 -0.04 0.93 0.93 2js1A14 LEU 4 HD23 -0.16 -0.01 -0.14 -0.04 0.89 0.54 2js1A14 PHE 5 H 0.14 0.00 -0.28 -0.55 8.34 7.64 2js1A14 PHE 5 HA -0.01 0.08 0.33 -0.75 4.62 4.27 2js1A14 PHE 5 HB2 -0.02 0.01 0.07 -0.04 3.15 3.17 2js1A14 PHE 5 HB3 -0.01 -0.05 0.03 -0.04 3.06 2.98 2js1A14 PHE 5 HD2 -0.00 -0.01 -0.11 -0.04 7.28 7.12 2js1A14 PHE 5 HE2 -0.00 0.00 -0.02 -0.04 7.38 7.31 2js1A14 PHE 5 HZ -0.00 0.01 -0.01 -0.04 7.32 7.27 2js1A14 SER 6 H 0.18 0.08 -0.29 -0.55 8.46 7.88 2js1A14 SER 6 HA 0.01 0.05 0.55 -0.75 4.49 4.34 2js1A14 SER 6 HB2 0.12 0.01 0.07 -0.04 3.95 4.10 2js1A14 SER 6 HB3 0.17 -0.01 0.10 -0.04 3.93 4.14 2js1A14 VAL 7 H -0.01 0.16 0.22 -0.55 8.24 8.06 2js1A14 VAL 7 HA 0.11 0.13 0.43 -0.75 4.13 4.05 2js1A14 VAL 7 HB 0.08 0.01 0.15 -0.04 2.12 2.32 2js1A14 VAL 7 HG13 0.18 -0.01 -0.09 -0.04 0.97 1.01 2js1A14 VAL 7 HG23 0.09 0.03 0.09 -0.04 0.95 1.12 2js1A14 PRO 8 HA 0.05 0.04 0.32 -0.51 4.44 4.34 2js1A14 PRO 8 HB2 0.09 0.06 -0.07 -0.04 2.28 2.31 2js1A14 PRO 8 HB3 0.04 0.06 0.06 -0.04 2.02 2.14 2js1A14 PRO 8 HG2 0.06 0.07 0.03 -0.04 2.03 2.15 2js1A14 PRO 8 HG3 0.04 0.08 0.06 -0.04 2.03 2.17 2js1A14 PRO 8 HD2 0.08 -0.03 -0.04 -0.04 3.68 3.65 2js1A14 PRO 8 HD3 0.06 0.14 0.15 -0.04 3.65 3.95 2js1A14 TYR 9 H 0.24 0.31 -0.73 -0.55 8.29 7.55 2js1A14 TYR 9 HA 0.03 -0.00 0.33 -0.75 4.56 4.17 2js1A14 TYR 9 HB2 0.08 -0.02 0.08 -0.04 3.06 3.16 2js1A14 TYR 9 HB3 0.14 0.23 0.07 -0.04 2.98 3.38 2js1A14 TYR 9 HD2 0.07 0.01 -0.17 -0.04 7.15 7.02 2js1A14 TYR 9 HE2 -0.02 0.06 -0.12 -0.04 6.85 6.73 2js1A14 PHE 10 H 0.38 0.50 -0.06 -0.55 8.34 8.60 2js1A14 PHE 10 HA -0.01 0.05 0.45 -0.75 4.62 4.36 2js1A14 PHE 10 HB2 0.13 0.13 0.20 -0.04 3.15 3.57 2js1A14 PHE 10 HB3 0.09 -0.05 -0.03 -0.04 3.06 3.04 2js1A14 PHE 10 HD2 0.23 0.01 -0.01 -0.04 7.28 7.46 2js1A14 PHE 10 HE2 0.15 -0.01 -0.01 -0.04 7.38 7.47 2js1A14 PHE 10 HZ 0.08 0.00 -0.01 -0.04 7.32 7.35 2js1A14 ILE 11 H 0.11 0.32 -0.15 -0.55 8.25 7.99 2js1A14 ILE 11 HA -0.08 0.03 0.43 -0.75 4.18 3.79 2js1A14 ILE 11 HB -0.02 0.05 0.13 -0.04 1.89 2.01 2js1A14 ILE 11 HG12 0.02 -0.06 0.00 -0.04 1.49 1.42 2js1A14 ILE 11 HG13 0.08 0.08 -0.05 -0.04 1.21 1.28 2js1A14 ILE 11 HG23 -0.06 -0.00 -0.06 -0.04 0.93 0.77 2js1A14 ILE 11 HD13 -0.02 0.01 -0.08 -0.04 0.88 0.76 2js1A14 GLU 12 H -0.08 0.87 0.01 -0.55 8.60 8.85 2js1A14 GLU 12 HA -0.12 -0.03 0.37 -0.75 4.29 3.75 2js1A14 GLU 12 HB2 -0.18 0.15 0.14 -0.04 2.09 2.15 2js1A14 GLU 12 HB3 -0.13 -0.04 -0.02 -0.04 1.99 1.76 2js1A14 GLU 12 HG2 -0.05 -0.04 0.03 -0.04 2.34 2.24 2js1A14 GLU 12 HG3 -0.04 0.07 0.08 -0.04 2.34 2.41 2js1A14 ASN 13 H -0.35 0.42 -0.51 -0.55 8.53 7.55 2js1A14 ASN 13 HA -0.29 -0.00 0.33 -0.75 4.76 4.04 2js1A14 ASN 13 HB2 -0.49 0.21 0.09 -0.04 2.88 2.64 2js1A14 ASN 13 HB3 -0.25 -0.08 0.07 -0.04 2.79 2.49 2js1A14 ASN 13 HD21 -0.56 -0.06 0.05 -0.04 7.03 6.43 2js1A14 ASN 13 HD22 -0.75 -0.07 -0.10 -0.04 7.74 6.78 2js1A14 LEU 14 H -0.42 0.67 -0.39 -0.55 8.37 7.68 2js1A14 LEU 14 HA -1.00 0.01 0.55 -0.75 4.35 3.16 2js1A14 LEU 14 HB2 -0.24 0.09 0.12 -0.04 1.64 1.58 2js1A14 LEU 14 HB3 -0.24 -0.12 0.07 -0.04 1.64 1.31 2js1A14 LEU 14 HG -0.49 0.23 0.20 -0.04 1.64 1.54 2js1A14 LEU 14 HD13 -0.12 -0.04 -0.01 -0.04 0.93 0.72 2js1A14 LEU 14 HD23 -0.92 -0.03 -0.04 -0.04 0.89 -0.15 2js1A14 LYS 15 H -0.23 0.39 -0.00 -0.55 8.42 8.02 2js1A14 LYS 15 HA -0.09 0.01 0.40 -0.75 4.32 3.88 2js1A14 LYS 15 HB2 -0.10 -0.02 0.13 -0.04 1.87 1.84 2js1A14 LYS 15 HB3 -0.11 0.16 0.13 -0.04 1.79 1.94 2js1A14 LYS 15 HG2 -0.05 -0.02 -0.10 -0.04 1.46 1.24 2js1A14 LYS 15 HG3 -0.05 -0.01 0.08 -0.04 1.46 1.44 2js1A14 LYS 15 HD2 -0.05 -0.00 0.01 -0.04 1.69 1.61 2js1A14 LYS 15 HD3 -0.05 0.00 -0.01 -0.04 1.68 1.59 2js1A14 LYS 15 HE2 -0.02 0.00 -0.01 -0.04 2.99 2.92 2js1A14 LYS 15 HE3 -0.03 -0.00 -0.02 -0.04 2.99 2.90 2js1A14 GLN 16 H -0.20 0.42 -0.46 -0.55 8.47 7.69 2js1A14 GLN 16 HA -0.01 0.04 0.40 -0.75 4.36 4.03 2js1A14 GLN 16 HB2 -0.06 0.02 0.06 -0.04 2.15 2.14 2js1A14 GLN 16 HB3 0.01 0.24 0.07 -0.04 2.02 2.29 2js1A14 GLN 16 HG2 0.10 -0.11 -0.06 -0.04 2.40 2.29 2js1A14 GLN 16 HG3 0.02 -0.01 0.08 -0.04 2.39 2.44 2js1A14 GLN 16 HE21 0.04 -0.06 -0.00 -0.04 6.97 6.90 2js1A14 GLN 16 HE22 0.03 0.02 -0.01 -0.04 7.69 7.69 2js1A14 HIS 17 H -0.15 0.47 -0.38 -0.55 8.41 7.81 2js1A14 HIS 17 HA -0.00 -0.12 0.54 -0.75 4.63 4.30 2js1A14 HIS 17 HB2 -0.01 0.15 0.28 -0.04 3.26 3.63 2js1A14 HIS 17 HB3 0.02 -0.08 0.14 -0.04 3.20 3.23 2js1A14 HIS 17 HD2 0.07 -0.07 0.08 -0.04 6.97 7.00 2js1A14 HIS 17 HE1 0.00 -0.04 0.02 -0.04 7.75 7.69 2js1A14 ILE 18 H 0.05 0.32 0.04 -0.55 8.25 8.11 2js1A14 ILE 18 HA 0.04 0.05 0.39 -0.75 4.18 3.92 2js1A14 ILE 18 HB 0.01 -0.04 0.01 -0.04 1.89 1.82 2js1A14 ILE 18 HG12 -0.02 0.02 0.21 -0.04 1.49 1.66 2js1A14 ILE 18 HG13 -0.01 0.07 -0.14 -0.04 1.21 1.08 2js1A14 ILE 18 HG23 0.02 0.05 0.07 -0.04 0.93 1.03 2js1A14 ILE 18 HD13 -0.03 -0.02 -0.03 -0.04 0.88 0.76 2js1A14 GLU 19 H 0.01 0.60 -0.07 -0.55 8.60 8.60 2js1A14 GLU 19 HA 0.00 0.01 0.38 -0.75 4.29 3.93 2js1A14 GLU 19 HB2 -0.02 -0.01 0.09 -0.04 2.09 2.11 2js1A14 GLU 19 HB3 -0.00 -0.08 0.08 -0.04 1.99 1.95 2js1A14 GLU 19 HG2 -0.01 -0.06 -0.06 -0.04 2.34 2.16 2js1A14 GLU 19 HG3 0.00 0.02 -0.18 -0.04 2.34 2.13 2js1A14 MET 20 H 0.03 0.22 -0.37 -0.55 8.47 7.80 2js1A14 MET 20 HA 0.02 0.17 0.82 -0.75 4.52 4.77 2js1A14 MET 20 HB2 0.02 -0.03 -0.02 -0.04 2.15 2.08 2js1A14 MET 20 HB3 0.03 0.07 0.23 -0.04 2.03 2.32 2js1A14 MET 20 HG2 0.02 -0.12 -0.27 -0.04 2.63 2.22 2js1A14 MET 20 HG3 0.01 0.05 -0.07 -0.04 2.56 2.52 2js1A14 MET 20 HE3 0.02 -0.03 0.02 -0.04 2.10 2.07 2js1A14 ASN 21 H 0.05 0.29 0.27 -0.55 8.53 8.60 2js1A14 ASN 21 HA 0.02 -0.13 0.39 -0.75 4.76 4.29 2js1A14 ASN 21 HB2 0.03 0.14 -0.40 -0.04 2.88 2.62 2js1A14 ASN 21 HB3 0.02 0.07 0.33 -0.04 2.79 3.17 2js1A14 ASN 21 HD21 0.01 0.07 -0.04 -0.04 7.03 7.03 2js1A14 ASN 21 HD22 0.02 0.18 -0.45 -0.04 7.74 7.45 2js1A14 GLN 22 H 0.01 0.09 0.04 -0.55 8.47 8.06 2js1A14 GLN 22 HA -0.00 0.12 0.30 -0.75 4.36 4.02 2js1A14 GLN 22 HB2 0.01 0.01 0.07 -0.04 2.15 2.20 2js1A14 GLN 22 HB3 -0.01 -0.04 0.04 -0.04 2.02 1.97 2js1A14 GLN 22 HG2 -0.01 0.02 -0.18 -0.04 2.40 2.20 2js1A14 GLN 22 HG3 -0.00 0.02 0.05 -0.04 2.39 2.42 2js1A14 GLN 22 HE21 -0.00 0.01 -0.03 -0.04 6.97 6.91 2js1A14 GLN 22 HE22 0.00 -0.01 -0.02 -0.04 7.69 7.63 2js1A14 SER 23 H -0.06 -0.02 -0.39 -0.55 8.46 7.44 2js1A14 SER 23 HA -0.03 0.19 0.50 -0.75 4.49 4.40 2js1A14 SER 23 HB2 -0.05 -0.06 0.06 -0.04 3.95 3.85 2js1A14 SER 23 HB3 -0.03 0.00 0.13 -0.04 3.93 3.99 2js1A14 GLU 24 H -0.03 0.32 -0.16 -0.55 8.60 8.18 2js1A14 GLU 24 HA -0.04 0.13 0.49 -0.75 4.29 4.12 2js1A14 GLU 24 HB2 -0.30 0.05 -0.27 -0.04 2.09 1.53 2js1A14 GLU 24 HB3 -0.07 0.04 0.13 -0.04 1.99 2.05 2js1A14 GLU 24 HG2 0.03 0.01 0.17 -0.04 2.34 2.51 2js1A14 GLU 24 HG3 0.03 0.04 0.11 -0.04 2.34 2.49 2js1A14 ASP 25 H 0.05 0.24 0.12 -0.55 8.40 8.25 2js1A14 ASP 25 HA 0.05 0.18 0.50 -0.75 4.63 4.61 2js1A14 ASP 25 HB2 0.13 -0.01 -0.46 -0.04 2.71 2.32 2js1A14 ASP 25 HB3 0.14 -0.16 -0.05 -0.04 2.70 2.59 2js1A14 LYS 26 H 0.08 0.14 0.05 -0.55 8.42 8.14 2js1A14 LYS 26 HA 0.04 0.21 0.43 -0.75 4.32 4.25 2js1A14 LYS 26 HB2 0.04 0.14 0.14 -0.04 1.87 2.15 2js1A14 LYS 26 HB3 0.04 -0.19 0.26 -0.04 1.79 1.85 2js1A14 LYS 26 HG2 -0.00 -0.03 -0.03 -0.04 1.46 1.37 2js1A14 LYS 26 HG3 0.01 0.12 0.04 -0.04 1.46 1.59 2js1A14 LYS 26 HD2 0.02 0.08 0.05 -0.04 1.69 1.79 2js1A14 LYS 26 HD3 0.01 -0.06 0.07 -0.04 1.68 1.66 2js1A14 LYS 26 HE2 -0.01 -0.05 0.02 -0.04 2.99 2.91 2js1A14 LYS 26 HE3 0.00 0.08 0.01 -0.04 2.99 3.04 2js1A14 ILE 27 H -0.01 0.19 0.12 -0.55 8.25 8.00 2js1A14 ILE 27 HA -0.05 0.15 0.44 -0.75 4.18 3.96 2js1A14 ILE 27 HB -0.10 0.07 0.14 -0.04 1.89 1.96 2js1A14 ILE 27 HG12 -0.16 0.09 -0.01 -0.04 1.49 1.37 2js1A14 ILE 27 HG13 -0.17 -0.07 -0.11 -0.04 1.21 0.82 2js1A14 ILE 27 HG23 -0.51 -0.01 0.01 -0.04 0.93 0.37 2js1A14 ILE 27 HD13 -0.05 0.01 0.04 -0.04 0.88 0.84 2js1A14 HIS 28 H -0.05 0.10 -0.23 -0.55 8.41 7.69 2js1A14 HIS 28 HA 0.04 0.07 0.34 -0.75 4.63 4.32 2js1A14 HIS 28 HB2 0.03 0.01 -0.07 -0.04 3.26 3.19 2js1A14 HIS 28 HB3 0.03 0.03 0.08 -0.04 3.20 3.30 2js1A14 HIS 28 HD2 0.02 -0.03 0.02 -0.04 6.97 6.93 2js1A14 HIS 28 HE1 0.01 0.05 -0.02 -0.04 7.75 7.74 2js1A14 ALA 29 H 0.07 0.34 -1.61 -0.55 8.40 6.66 2js1A14 ALA 29 HA 0.15 -0.01 0.37 -0.75 4.34 4.10 2js1A14 ALA 29 HB3 0.12 0.09 0.15 -0.04 1.41 1.72 2js1A14 MET 30 H 0.12 0.34 0.00 -0.55 8.47 8.38 2js1A14 MET 30 HA 0.30 -0.00 0.50 -0.75 4.52 4.56 2js1A14 MET 30 HB2 0.11 0.05 0.09 -0.04 2.15 2.36 2js1A14 MET 30 HB3 0.21 -0.00 0.07 -0.04 2.03 2.27 2js1A14 MET 30 HG2 0.11 0.10 0.17 -0.04 2.63 2.97 2js1A14 MET 30 HG3 0.23 0.03 0.15 -0.04 2.56 2.93 2js1A14 MET 30 HE3 0.34 -0.02 0.04 -0.04 2.10 2.42 2js1A14 ASN 31 H 0.12 0.11 -0.31 -0.55 8.53 7.91 2js1A14 ASN 31 HA 0.09 0.02 0.27 -0.75 4.76 4.39 2js1A14 ASN 31 HB2 0.15 0.21 0.03 -0.04 2.88 3.23 2js1A14 ASN 31 HB3 0.10 0.03 0.02 -0.04 2.79 2.90 2js1A14 ASN 31 HD21 0.02 -0.07 -0.05 -0.04 7.03 6.90 2js1A14 ASN 31 HD22 0.02 0.05 -0.02 -0.04 7.74 7.74 2js1A14 SER 32 H 0.16 0.29 -0.66 -0.55 8.46 7.71 2js1A14 SER 32 HA 0.07 0.12 0.65 -0.75 4.49 4.58 2js1A14 SER 32 HB2 0.11 0.09 0.20 -0.04 3.95 4.31 2js1A14 SER 32 HB3 0.05 0.02 0.02 -0.04 3.93 3.97 2js1A14 TYR 33 H 0.29 0.64 0.24 -0.55 8.29 8.90 2js1A14 TYR 33 HA 0.09 0.06 0.46 -0.75 4.56 4.42 2js1A14 TYR 33 HB2 0.27 0.05 0.14 -0.04 3.06 3.48 2js1A14 TYR 33 HB3 0.19 -0.08 0.17 -0.04 2.98 3.21 2js1A14 TYR 33 HD2 0.22 0.01 -0.16 -0.04 7.15 7.18 2js1A14 TYR 33 HE2 0.06 0.00 -0.04 -0.04 6.85 6.83 2js1A14 TYR 34 H 0.45 0.43 0.18 -0.55 8.29 8.80 2js1A14 TYR 34 HA 0.23 -0.02 0.37 -0.75 4.56 4.39 2js1A14 TYR 34 HB2 0.17 -0.14 0.09 -0.04 3.06 3.14 2js1A14 TYR 34 HB3 0.08 0.06 -0.08 -0.04 2.98 3.00 2js1A14 TYR 34 HD2 0.10 0.00 -0.13 -0.04 7.15 7.09 2js1A14 TYR 34 HE2 0.05 0.02 -0.12 -0.04 6.85 6.76 2js1A14 ARG 35 H 0.20 0.35 -0.47 -0.55 8.46 7.98 2js1A14 ARG 35 HA 0.08 -0.04 0.42 -0.75 4.34 4.05 2js1A14 ARG 35 HB2 0.06 0.21 0.13 -0.04 1.90 2.27 2js1A14 ARG 35 HB3 0.04 -0.08 0.07 -0.04 1.80 1.79 2js1A14 ARG 35 HG2 0.16 -0.08 0.07 -0.04 1.67 1.77 2js1A14 ARG 35 HG3 0.07 0.06 0.13 -0.04 1.67 1.89 2js1A14 ARG 35 HD2 0.07 -0.01 0.03 -0.04 3.22 3.26 2js1A14 ARG 35 HD3 0.17 -0.07 -0.05 -0.04 3.22 3.23 2js1A14 SER 36 H -0.04 0.37 -0.40 -0.55 8.46 7.84 2js1A14 SER 36 HA -0.07 0.00 0.45 -0.75 4.49 4.12 2js1A14 SER 36 HB2 -0.10 0.14 0.20 -0.04 3.95 4.15 2js1A14 SER 36 HB3 -0.37 0.04 0.20 -0.04 3.93 3.75 2js1A14 VAL 37 H -0.28 0.57 -0.05 -0.55 8.24 7.93 2js1A14 VAL 37 HA -0.11 0.04 0.51 -0.75 4.13 3.81 2js1A14 VAL 37 HB -0.20 0.04 0.17 -0.04 2.12 2.09 2js1A14 VAL 37 HG13 0.03 -0.01 -0.07 -0.04 0.97 0.88 2js1A14 VAL 37 HG23 -0.31 0.05 0.02 -0.04 0.95 0.67 2js1A14 VAL 38 H -0.20 0.59 0.06 -0.55 8.24 8.14 2js1A14 VAL 38 HA -0.09 -0.00 0.31 -0.75 4.13 3.60 2js1A14 VAL 38 HB -0.03 0.04 0.11 -0.04 2.12 2.19 2js1A14 VAL 38 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.83 2js1A14 VAL 38 HG23 -0.27 0.01 0.05 -0.04 0.95 0.70 2js1A14 SER 39 H -0.05 0.58 -0.29 -0.55 8.46 8.16 2js1A14 SER 39 HA -0.01 -0.01 0.38 -0.75 4.49 4.09 2js1A14 SER 39 HB2 -0.02 -0.07 0.03 -0.04 3.95 3.86 2js1A14 SER 39 HB3 -0.01 0.03 0.16 -0.04 3.93 4.06 2js1A14 THR 40 H -0.04 0.52 -0.05 -0.55 8.28 8.15 2js1A14 THR 40 HA -0.02 0.04 0.44 -0.75 4.39 4.10 2js1A14 THR 40 HB -0.03 0.04 0.15 -0.04 4.32 4.44 2js1A14 THR 40 HG23 -0.01 -0.02 -0.07 -0.04 1.22 1.08 2js1A14 LEU 41 H -0.04 1.05 0.08 -0.55 8.37 8.91 2js1A14 LEU 41 HA -0.01 -0.05 0.35 -0.75 4.35 3.88 2js1A14 LEU 41 HB2 -0.03 -0.09 0.02 -0.04 1.64 1.50 2js1A14 LEU 41 HB3 -0.05 0.00 -0.06 -0.04 1.64 1.50 2js1A14 LEU 41 HG -0.03 -0.01 -0.13 -0.04 1.64 1.43 2js1A14 LEU 41 HD13 -0.02 -0.01 0.08 -0.04 0.93 0.94 2js1A14 LEU 41 HD23 -0.05 -0.02 -0.05 -0.04 0.89 0.72 2js1A14 VAL 42 H -0.02 0.39 -0.58 -0.55 8.24 7.48 2js1A14 VAL 42 HA -0.01 0.03 0.84 -0.75 4.13 4.24 2js1A14 VAL 42 HB -0.01 0.17 0.14 -0.04 2.12 2.38 2js1A14 VAL 42 HG13 -0.00 -0.04 -0.03 -0.04 0.97 0.85 2js1A14 VAL 42 HG23 -0.01 -0.07 -0.03 -0.04 0.95 0.79 2js1A14 GLN 43 H -0.01 0.59 0.13 -0.55 8.47 8.63 2js1A14 GLN 43 HA -0.01 0.01 0.56 -0.75 4.36 4.18 2js1A14 GLN 43 HB2 -0.01 -0.01 0.17 -0.04 2.15 2.26 2js1A14 GLN 43 HB3 -0.01 -0.05 0.11 -0.04 2.02 2.03 2js1A14 GLN 43 HG2 -0.01 -0.04 0.12 -0.04 2.40 2.43 2js1A14 GLN 43 HG3 -0.00 -0.03 0.14 -0.04 2.39 2.46 2js1A14 GLN 43 HE21 -0.00 -0.01 0.03 -0.04 6.97 6.95 2js1A14 GLN 43 HE22 -0.00 -0.03 0.01 -0.04 7.69 7.62 2js1A14 ASP 44 H -0.01 0.26 -0.60 -0.55 8.40 7.50 2js1A14 ASP 44 HA -0.00 0.09 0.62 -0.75 4.63 4.58 2js1A14 ASP 44 HB2 -0.00 -0.00 -0.17 -0.04 2.71 2.50 2js1A14 ASP 44 HB3 -0.00 0.10 -0.07 -0.04 2.70 2.69 2js1A14 GLN 45 H -0.00 0.14 0.04 -0.55 8.47 8.10 2js1A14 GLN 45 HA -0.00 0.01 0.37 -0.75 4.36 3.98 2js1A14 GLN 45 HB2 -0.00 -0.00 -0.14 -0.04 2.15 1.96 2js1A14 GLN 45 HB3 -0.01 0.28 0.38 -0.04 2.02 2.64 2js1A14 GLN 45 HG2 -0.01 -0.39 -0.07 -0.04 2.40 1.90 2js1A14 GLN 45 HG3 -0.00 0.02 0.02 -0.04 2.39 2.39 2js1A14 GLN 45 HE21 -0.00 -0.00 -0.01 -0.04 6.97 6.92 2js1A14 GLN 45 HE22 -0.01 0.02 -0.02 -0.04 7.69 7.64 2js1A14 LEU 46 H -0.01 0.64 0.28 -0.55 8.37 8.74 2js1A14 LEU 46 HA -0.01 -0.02 0.28 -0.75 4.35 3.85 2js1A14 LEU 46 HB2 -0.00 0.07 -0.39 -0.04 1.64 1.28 2js1A14 LEU 46 HB3 -0.00 -0.07 0.12 -0.04 1.64 1.64 2js1A14 LEU 46 HG -0.01 0.20 -0.15 -0.04 1.64 1.64 2js1A14 LEU 46 HD13 -0.00 0.00 -0.16 -0.04 0.93 0.73 2js1A14 LEU 46 HD23 -0.00 -0.01 0.06 -0.04 0.89 0.89 2js1A14 THR 47 H -0.01 0.03 -0.37 -0.55 8.28 7.39 2js1A14 THR 47 HA -0.00 0.19 0.49 -0.75 4.39 4.31 2js1A14 THR 47 HB -0.00 0.05 0.01 -0.04 4.32 4.33 2js1A14 THR 47 HG23 -0.01 -0.02 -0.03 -0.04 1.22 1.11 2js1A14 LYS 48 H -0.01 0.10 -0.13 -0.55 8.42 7.84 2js1A14 LYS 48 HA -0.00 0.17 0.47 -0.75 4.32 4.20 2js1A14 LYS 48 HB2 -0.00 0.27 -0.25 -0.04 1.87 1.85 2js1A14 LYS 48 HB3 -0.01 -0.19 0.01 -0.04 1.79 1.55 2js1A14 LYS 48 HG2 -0.00 0.01 0.02 -0.04 1.46 1.44 2js1A14 LYS 48 HG3 -0.00 -0.23 0.05 -0.04 1.46 1.23 2js1A14 LYS 48 HD2 -0.00 0.12 0.18 -0.04 1.69 1.94 2js1A14 LYS 48 HD3 -0.00 0.07 0.07 -0.04 1.68 1.78 2js1A14 LYS 48 HE2 -0.00 -0.01 0.04 -0.04 2.99 2.98 2js1A14 LYS 48 HE3 -0.00 -0.07 0.07 -0.04 2.99 2.94 2js1A14 ASN 49 H -0.00 0.28 0.11 -0.55 8.53 8.37 2js1A14 ASN 49 HA -0.00 0.13 0.40 -0.75 4.76 4.54 2js1A14 ASN 49 HB2 -0.00 -0.03 0.13 -0.04 2.88 2.94 2js1A14 ASN 49 HB3 0.00 0.06 0.06 -0.04 2.79 2.87 2js1A14 ASN 49 HD21 -0.00 0.07 0.04 -0.04 7.03 7.10 2js1A14 ASN 49 HD22 0.00 0.00 0.05 -0.04 7.74 7.75 2js1A14 ALA 50 H -0.00 0.13 -0.16 -0.55 8.40 7.82 2js1A14 ALA 50 HA -0.00 0.06 0.40 -0.75 4.34 4.05 2js1A14 ALA 50 HB3 -0.00 0.04 0.05 -0.04 1.41 1.45 2js1A14 VAL 51 H -0.01 0.05 -0.27 -0.55 8.24 7.46 2js1A14 VAL 51 HA -0.02 0.05 0.34 -0.75 4.13 3.75 2js1A14 VAL 51 HB -0.01 0.07 0.15 -0.04 2.12 2.28 2js1A14 VAL 51 HG13 -0.02 0.01 -0.09 -0.04 0.97 0.83 2js1A14 VAL 51 HG23 -0.01 -0.00 -0.00 -0.04 0.95 0.89 2js1A14 VAL 52 H -0.01 0.42 -0.21 -0.55 8.24 7.89 2js1A14 VAL 52 HA -0.03 0.11 0.61 -0.75 4.13 4.07 2js1A14 VAL 52 HB -0.02 0.03 0.01 -0.04 2.12 2.10 2js1A14 VAL 52 HG13 -0.01 0.02 0.08 -0.04 0.97 1.01 2js1A14 VAL 52 HG23 -0.01 0.04 0.14 -0.04 0.95 1.08 2js1A14 LEU 53 H -0.01 0.98 0.19 -0.55 8.37 8.99 2js1A14 LEU 53 HA 0.01 0.02 0.43 -0.75 4.35 4.05 2js1A14 LEU 53 HB2 0.00 0.15 0.10 -0.04 1.64 1.86 2js1A14 LEU 53 HB3 0.00 -0.07 0.11 -0.04 1.64 1.65 2js1A14 LEU 53 HG 0.01 -0.01 -0.02 -0.04 1.64 1.57 2js1A14 LEU 53 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.79 2js1A14 LEU 53 HD23 0.01 0.00 0.02 -0.04 0.89 0.89 2js1A14 LYS 54 H -0.00 0.71 0.07 -0.55 8.42 8.65 2js1A14 LYS 54 HA 0.01 -0.02 0.36 -0.75 4.32 3.91 2js1A14 LYS 54 HB2 -0.01 -0.05 0.05 -0.04 1.87 1.82 2js1A14 LYS 54 HB3 -0.01 0.00 0.12 -0.04 1.79 1.86 2js1A14 LYS 54 HG2 -0.03 0.11 0.03 -0.04 1.46 1.53 2js1A14 LYS 54 HG3 -0.04 -0.03 -0.24 -0.04 1.46 1.11 2js1A14 LYS 54 HD2 -0.02 -0.09 -0.25 -0.04 1.69 1.29 2js1A14 LYS 54 HD3 -0.04 0.00 -0.00 -0.04 1.68 1.60 2js1A14 LYS 54 HE2 -0.04 0.00 -0.06 -0.04 2.99 2.86 2js1A14 LYS 54 HE3 -0.02 -0.03 -0.04 -0.04 2.99 2.86 2js1A14 ARG 55 H -0.03 0.29 -0.58 -0.55 8.46 7.59 2js1A14 ARG 55 HA -0.07 -0.01 0.44 -0.75 4.34 3.94 2js1A14 ARG 55 HB2 -0.08 0.13 0.19 -0.04 1.90 2.10 2js1A14 ARG 55 HB3 -0.05 0.18 0.19 -0.04 1.80 2.08 2js1A14 ARG 55 HG2 -0.10 -0.04 -0.11 -0.04 1.67 1.37 2js1A14 ARG 55 HG3 -0.21 -0.06 0.09 -0.04 1.67 1.44 2js1A14 ARG 55 HD2 -0.08 0.03 0.02 -0.04 3.22 3.16 2js1A14 ARG 55 HD3 -0.17 -0.04 0.00 -0.04 3.22 2.97 2js1A14 ILE 56 H 0.00 0.57 -0.09 -0.55 8.25 8.18 2js1A14 ILE 56 HA 0.01 -0.01 0.44 -0.75 4.18 3.86 2js1A14 ILE 56 HB 0.03 0.14 0.25 -0.04 1.89 2.27 2js1A14 ILE 56 HG12 -0.01 0.35 0.07 -0.04 1.49 1.86 2js1A14 ILE 56 HG13 0.01 -0.06 -0.02 -0.04 1.21 1.10 2js1A14 ILE 56 HG23 0.10 -0.03 -0.10 -0.04 0.93 0.86 2js1A14 ILE 56 HD13 -0.06 -0.02 -0.02 -0.04 0.88 0.74 2js1A14 GLN 57 H 0.05 0.59 -0.02 -0.55 8.47 8.54 2js1A14 GLN 57 HA 0.07 -0.00 0.37 -0.75 4.36 4.04 2js1A14 GLN 57 HB2 0.05 0.14 0.12 -0.04 2.15 2.42 2js1A14 GLN 57 HB3 0.04 -0.03 0.03 -0.04 2.02 2.01 2js1A14 GLN 57 HG2 0.04 -0.03 0.03 -0.04 2.40 2.40 2js1A14 GLN 57 HG3 0.03 0.13 0.03 -0.04 2.39 2.54 2js1A14 GLN 57 HE21 0.02 -0.01 -0.01 -0.04 6.97 6.92 2js1A14 GLN 57 HE22 0.03 0.00 -0.00 -0.04 7.69 7.68 2js1A14 HIS 58 H 0.12 0.45 -0.36 -0.55 8.41 8.08 2js1A14 HIS 58 HA 0.00 0.01 0.49 -0.75 4.63 4.37 2js1A14 HIS 58 HB2 -0.04 -0.02 0.11 -0.04 3.26 3.28 2js1A14 HIS 58 HB3 -0.06 0.17 0.22 -0.04 3.20 3.49 2js1A14 HIS 58 HD2 -0.06 -0.00 0.02 -0.04 6.97 6.88 2js1A14 HIS 58 HE1 -0.10 -0.03 -0.06 -0.04 7.75 7.51 2js1A14 LEU 59 H 0.17 0.73 0.01 -0.55 8.37 8.73 2js1A14 LEU 59 HA 0.16 -0.04 0.37 -0.75 4.35 4.09 2js1A14 LEU 59 HB2 0.06 0.11 0.17 -0.04 1.64 1.94 2js1A14 LEU 59 HB3 0.10 0.14 0.13 -0.04 1.64 1.98 2js1A14 LEU 59 HG 0.28 -0.13 0.05 -0.04 1.64 1.80 2js1A14 LEU 59 HD13 0.29 -0.01 0.05 -0.04 0.93 1.22 2js1A14 LEU 59 HD23 -0.40 -0.00 0.03 -0.04 0.89 0.47 2js1A14 ASP 60 H 0.12 0.40 -0.81 -0.55 8.40 7.56 2js1A14 ASP 60 HA 0.36 -0.04 0.39 -0.75 4.63 4.58 2js1A14 ASP 60 HB2 0.14 0.05 0.14 -0.04 2.71 2.99 2js1A14 ASP 60 HB3 0.08 0.13 0.16 -0.04 2.70 3.03 2js1A14 GLU 61 H -0.06 0.48 -0.05 -0.55 8.60 8.43 2js1A14 GLU 61 HA -0.08 0.00 0.35 -0.75 4.29 3.81 2js1A14 GLU 61 HB2 -0.12 -0.04 0.10 -0.04 2.09 1.99 2js1A14 GLU 61 HB3 -0.17 0.06 0.18 -0.04 1.99 2.02 2js1A14 GLU 61 HG2 -0.37 0.09 -0.00 -0.04 2.34 2.02 2js1A14 GLU 61 HG3 -0.17 -0.08 -0.30 -0.04 2.34 1.74 2js1A14 ALA 62 H -0.01 0.34 -0.68 -0.55 8.40 7.50 2js1A14 ALA 62 HA -0.02 0.03 0.47 -0.75 4.34 4.06 2js1A14 ALA 62 HB3 0.12 -0.00 0.12 -0.04 1.41 1.60 2js1A14 TYR 63 H 0.27 0.46 0.15 -0.55 8.29 8.62 2js1A14 TYR 63 HA 0.03 -0.03 0.45 -0.75 4.56 4.25 2js1A14 TYR 63 HB2 -0.01 -0.08 0.13 -0.04 3.06 3.05 2js1A14 TYR 63 HB3 0.08 0.11 0.20 -0.04 2.98 3.33 2js1A14 TYR 63 HD2 -0.04 0.01 0.05 -0.04 7.15 7.14 2js1A14 TYR 63 HE2 -0.05 -0.00 -0.05 -0.04 6.85 6.70 2js1A14 ASN 64 H -0.38 0.66 -0.29 -0.55 8.53 7.97 2js1A14 ASN 64 HA -1.00 -0.01 0.42 -0.75 4.76 3.41 2js1A14 ASN 64 HB2 -0.24 0.10 0.04 -0.04 2.88 2.74 2js1A14 ASN 64 HB3 -0.26 -0.02 0.01 -0.04 2.79 2.47 2js1A14 ASN 64 HD21 -0.00 0.02 -0.54 -0.04 7.03 6.47 2js1A14 ASN 64 HD22 0.24 -0.05 -0.09 -0.04 7.74 7.79 2js1A14 LYS 65 H -0.18 0.41 -0.43 -0.55 8.42 7.66 2js1A14 LYS 65 HA -0.12 0.05 0.55 -0.75 4.32 4.05 2js1A14 LYS 65 HB2 -0.09 0.20 0.24 -0.04 1.87 2.19 2js1A14 LYS 65 HB3 -0.08 0.02 0.15 -0.04 1.79 1.84 2js1A14 LYS 65 HG2 -0.06 -0.07 -0.01 -0.04 1.46 1.29 2js1A14 LYS 65 HG3 -0.07 -0.02 0.04 -0.04 1.46 1.37 2js1A14 LYS 65 HD2 -0.07 0.01 0.03 -0.04 1.69 1.63 2js1A14 LYS 65 HD3 -0.05 -0.02 0.02 -0.04 1.68 1.58 2js1A14 LYS 65 HE2 -0.04 0.02 0.01 -0.04 2.99 2.93 2js1A14 LYS 65 HE3 -0.04 -0.01 0.00 -0.04 2.99 2.90 2js1A14 VAL 66 H -0.11 0.43 -0.03 -0.55 8.24 7.98 2js1A14 VAL 66 HA -0.07 0.06 0.42 -0.75 4.13 3.80 2js1A14 VAL 66 HB -0.01 0.06 0.23 -0.04 2.12 2.36 2js1A14 VAL 66 HG13 -0.02 -0.02 -0.04 -0.04 0.97 0.85 2js1A14 VAL 66 HG23 -0.05 0.02 0.02 -0.04 0.95 0.89 2js1A14 LYS 67 H -0.13 0.52 -0.01 -0.55 8.42 8.24 2js1A14 LYS 67 HA -0.05 0.02 0.42 -0.75 4.32 3.95 2js1A14 LYS 67 HB2 -0.18 0.06 0.11 -0.04 1.87 1.82 2js1A14 LYS 67 HB3 -0.05 -0.03 0.01 -0.04 1.79 1.68 2js1A14 LYS 67 HG2 0.02 -0.09 0.10 -0.04 1.46 1.46 2js1A14 LYS 67 HG3 0.00 0.09 0.05 -0.04 1.46 1.56 2js1A14 LYS 67 HD2 0.11 0.00 -0.02 -0.04 1.69 1.74 2js1A14 LYS 67 HD3 0.01 0.00 0.01 -0.04 1.68 1.66 2js1A14 LYS 67 HE2 0.09 -0.01 0.04 -0.04 2.99 3.07 2js1A14 LYS 67 HE3 0.26 -0.01 -0.01 -0.04 2.99 3.18 2js1A14 ARG 68 H -0.15 0.37 -0.27 -0.55 8.46 7.86 2js1A14 ARG 68 HA -0.07 -0.05 0.38 -0.75 4.34 3.85 2js1A14 ARG 68 HB2 -0.10 0.10 0.25 -0.04 1.90 2.10 2js1A14 ARG 68 HB3 -0.07 -0.06 0.05 -0.04 1.80 1.68 2js1A14 ARG 68 HG2 -0.14 -0.09 0.15 -0.04 1.67 1.55 2js1A14 ARG 68 HG3 -0.12 -0.05 0.06 -0.04 1.67 1.52 2js1A14 ARG 68 HD2 -0.06 -0.02 0.08 -0.04 3.22 3.19 2js1A14 ARG 68 HD3 -0.07 -0.06 0.04 -0.04 3.22 3.09 2js1A14 GLY 69 H -0.07 0.27 -0.61 -0.55 8.43 7.47 2js1A14 GLY 69 HA2 -0.04 0.02 0.56 -0.51 4.01 4.04 2js1A14 GLY 69 HA3 -0.04 -0.03 0.32 -0.51 4.01 3.75 2js1A14 GLU 70 H -0.05 0.23 -0.27 -0.55 8.60 7.97 2js1A14 GLU 70 HA -0.03 0.08 0.60 -0.75 4.29 4.18 2js1A14 GLU 70 HB2 -0.04 0.09 0.20 -0.04 2.09 2.29 2js1A14 GLU 70 HB3 -0.04 -0.21 0.19 -0.04 1.99 1.89 2js1A14 GLU 70 HG2 -0.04 0.23 0.03 -0.04 2.34 2.53 2js1A14 GLU 70 HG3 -0.03 -0.12 -0.02 -0.04 2.34 2.12 2js1A14 SER 71 H -0.03 0.10 0.09 -0.55 8.46 8.08 2js1A14 SER 71 HA -0.03 0.20 0.63 -0.75 4.49 4.53 2js1A14 SER 71 HB2 -0.02 0.00 0.18 -0.04 3.95 4.07 2js1A14 SER 71 HB3 -0.02 -0.04 0.19 -0.04 3.93 4.02 2js1A14 LYS 72 H -0.06 0.55 -0.55 -0.55 8.42 7.81 2js1A14 LYS 72 HA -0.07 0.08 0.22 -0.75 4.32 3.79 2js1A14 LYS 72 HB2 -0.22 -0.03 -0.07 -0.04 1.87 1.51 2js1A14 LYS 72 HB3 -0.13 -0.04 0.16 -0.04 1.79 1.74 2js1A14 LYS 72 HG2 -0.06 0.03 0.02 -0.04 1.46 1.41 2js1A14 LYS 72 HG3 -0.06 0.16 0.02 -0.04 1.46 1.54 2js1A14 LYS 72 HD2 -0.01 0.07 0.01 -0.04 1.69 1.71 2js1A14 LYS 72 HD3 -0.04 -0.03 -0.04 -0.04 1.68 1.53 2js1A14 LYS 72 HE2 -0.11 -0.09 0.01 -0.04 2.99 2.76 2js1A14 LYS 72 HE3 -0.04 0.02 0.01 -0.04 2.99 2.93 2js1A14 LEU 73 H -0.20 0.08 0.17 -0.55 8.37 7.87 2js1A14 LEU 73 HA -0.05 0.18 0.70 -0.75 4.35 4.43 2js1A14 LEU 73 HB2 -0.11 -0.09 0.11 -0.04 1.64 1.50 2js1A14 LEU 73 HB3 -0.00 0.06 0.16 -0.04 1.64 1.82 2js1A14 LEU 73 HG -0.08 -0.07 0.03 -0.04 1.64 1.49 2js1A14 LEU 73 HD13 0.01 0.01 0.00 -0.04 0.93 0.90 2js1A14 LEU 73 HD23 -0.02 0.02 -0.17 -0.04 0.89 0.69 2js1A14 GLU 74 H -0.15 0.67 -0.17 -0.55 8.60 8.40 2js1A14 GLU 74 HA -0.05 -0.01 0.33 -0.75 4.29 3.81 2js1A14 GLU 74 HB2 0.00 0.16 -0.16 -0.04 2.09 2.05 2js1A14 GLU 74 HB3 0.02 -0.04 0.21 -0.04 1.99 2.13 2js1A14 GLU 74 HG2 -0.01 -0.05 0.09 -0.04 2.34 2.32 2js1A14 GLU 74 HG3 -0.03 0.09 -0.13 -0.04 2.34 2.23 2js1A14 HIS 75 H -0.34 -0.23 -1.03 -0.55 8.41 6.27 2js1A14 HIS 75 HA -0.13 -0.05 0.25 -0.75 4.63 3.94 2js1A14 HIS 75 HB2 -0.01 0.25 -0.21 -0.04 3.26 3.25 2js1A14 HIS 75 HB3 -0.08 -0.26 0.16 -0.04 3.20 2.98 2js1A14 HIS 75 HD2 -0.01 0.07 -0.18 -0.04 6.97 6.81 2js1A14 HIS 75 HE1 -0.03 0.02 -0.01 -0.04 7.75 7.69 2js1A14 HIS 76 H -0.24 -0.16 0.18 -0.55 8.41 7.64 2js1A14 HIS 76 HA 0.10 0.21 0.56 -0.75 4.63 4.75 2js1A14 HIS 76 HB2 0.08 0.03 0.11 -0.04 3.26 3.44 2js1A14 HIS 76 HB3 0.07 0.14 -0.16 -0.04 3.20 3.21 2js1A14 HIS 76 HD2 0.06 0.05 -0.15 -0.04 6.97 6.89 2js1A14 HIS 76 HE1 0.13 -0.07 -0.13 -0.04 7.75 7.63 2js1A14 HIS 77 H 0.02 -0.17 0.15 -0.55 8.41 7.87 2js1A14 HIS 77 HA -0.01 -0.09 0.44 -0.75 4.63 4.22 2js1A14 HIS 77 HB2 -0.00 -0.04 -0.02 -0.04 3.26 3.15 2js1A14 HIS 77 HB3 0.04 0.19 0.03 -0.04 3.20 3.42 2js1A14 HIS 77 HD2 -0.03 -0.02 0.02 -0.04 6.97 6.90 2js1A14 HIS 77 HE1 -0.11 -0.05 0.00 -0.04 7.75 7.54 2js1A14 HIS 78 H 0.05 -0.03 0.08 -0.55 8.41 7.97 2js1A14 HIS 78 HA 0.29 0.14 0.32 -0.75 4.63 4.63 2js1A14 HIS 78 HB2 -0.00 -0.05 0.09 -0.04 3.26 3.26 2js1A14 HIS 78 HB3 0.11 -0.00 0.08 -0.04 3.20 3.34 2js1A14 HIS 78 HD2 -0.06 -0.10 -0.13 -0.04 6.97 6.64 2js1A14 HIS 78 HE1 -0.08 0.02 0.00 -0.04 7.75 7.66 2js1A14 HIS 79 H 0.02 0.12 -0.02 -0.55 8.41 8.00 2js1A14 HIS 79 HA -0.08 0.08 0.52 -0.75 4.63 4.40 2js1A14 HIS 79 HB2 0.04 -0.02 0.09 -0.04 3.26 3.33 2js1A14 HIS 79 HB3 -0.00 0.22 -0.09 -0.04 3.20 3.29 2js1A14 HIS 79 HD2 0.05 -0.00 -0.06 -0.04 6.97 6.91 2js1A14 HIS 79 HE1 0.02 -0.01 0.03 -0.04 7.75 7.75 2js1A14 HIS 80 H 0.16 0.15 -0.03 -0.55 8.41 8.15 2js1A14 HIS 80 HA 0.01 0.05 0.19 -0.75 4.63 4.12 2js1A14 HIS 80 HB2 0.02 -0.01 -0.11 -0.04 3.26 3.12 2js1A14 HIS 80 HB3 -0.02 0.22 -0.05 -0.04 3.20 3.30 2js1A14 HIS 80 HD2 -0.01 0.03 0.04 -0.04 6.97 6.98 2js1A14 HIS 80 HE1 -0.00 -0.00 0.01 -0.04 7.75 7.71