============================================================================= 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 2.933 11.797 -7.551 -99.200 -91.000 TYR 9 0.840 1.265 7.005 2.595 -99.200 -91.000 PHE 10 1.000 6.998 9.701 2.969 -99.200 -91.000 HIS 17 0.900 4.764 8.367 13.626 -99.200 -91.000 HIS 28 0.900 10.812 15.562 22.061 -99.200 -91.000 TYR 33 0.840 8.521 10.987 8.537 -99.200 -91.000 TYR 34 0.840 14.136 16.490 8.666 -99.200 -91.000 HIS 58 0.900 8.775 19.292 -2.711 -99.200 -91.000 TYR 63 0.840 10.158 21.097 11.334 -99.200 -91.000 HIS 75 0.900 4.932 30.781 18.981 -99.200 -91.000 HIS 76 0.900 8.416 35.070 23.854 -99.200 -91.000 HIS 77 0.900 2.266 36.726 27.884 -99.200 -91.000 HIS 78 0.900 6.141 39.643 21.309 -99.200 -91.000 HIS 79 0.900 6.464 40.362 28.775 -99.200 -91.000 HIS 80 0.900 0.471 45.212 22.354 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2js1A11 MET 1 HA -0.02 -0.08 0.21 -0.75 4.52 3.88 2js1A11 MET 1 HB2 -0.01 -0.00 0.05 -0.04 2.15 2.15 2js1A11 MET 1 HB3 -0.01 -0.01 0.10 -0.04 2.03 2.07 2js1A11 MET 1 HG2 -0.02 -0.01 -0.07 -0.04 2.63 2.49 2js1A11 MET 1 HG3 -0.02 -0.00 -0.04 -0.04 2.56 2.47 2js1A11 MET 1 HE3 -0.03 -0.00 -0.08 -0.04 2.10 1.95 2js1A11 SER 2 H -0.05 0.19 0.11 -0.55 8.46 8.16 2js1A11 SER 2 HA -0.11 0.14 0.77 -0.75 4.49 4.53 2js1A11 SER 2 HB2 -0.10 -0.02 -0.05 -0.04 3.95 3.73 2js1A11 SER 2 HB3 -0.31 -0.01 -0.04 -0.04 3.93 3.53 2js1A11 GLU 3 H -0.24 0.20 0.11 -0.55 8.60 8.13 2js1A11 GLU 3 HA -0.13 0.11 0.74 -0.75 4.29 4.25 2js1A11 GLU 3 HB2 -0.13 0.03 0.21 -0.04 2.09 2.16 2js1A11 GLU 3 HB3 -0.05 -0.09 0.08 -0.04 1.99 1.89 2js1A11 GLU 3 HG2 -0.06 0.03 0.02 -0.04 2.34 2.28 2js1A11 GLU 3 HG3 -0.07 0.05 -0.04 -0.04 2.34 2.23 2js1A11 LEU 4 H -0.15 0.27 0.17 -0.55 8.37 8.11 2js1A11 LEU 4 HA -0.41 0.17 0.65 -0.75 4.35 4.01 2js1A11 LEU 4 HB2 -0.17 0.02 0.12 -0.04 1.64 1.56 2js1A11 LEU 4 HB3 -0.24 0.03 -0.02 -0.04 1.64 1.37 2js1A11 LEU 4 HG -0.01 -0.05 -0.04 -0.04 1.64 1.50 2js1A11 LEU 4 HD13 0.10 0.01 -0.03 -0.04 0.93 0.96 2js1A11 LEU 4 HD23 -0.07 0.04 0.06 -0.04 0.89 0.88 2js1A11 PHE 5 H 0.08 -0.00 -0.33 -0.55 8.34 7.54 2js1A11 PHE 5 HA 0.03 0.09 0.35 -0.75 4.62 4.33 2js1A11 PHE 5 HB2 -0.02 -0.00 0.08 -0.04 3.15 3.16 2js1A11 PHE 5 HB3 -0.02 -0.04 0.04 -0.04 3.06 3.00 2js1A11 PHE 5 HD2 0.02 -0.01 -0.12 -0.04 7.28 7.12 2js1A11 PHE 5 HE2 0.03 -0.00 -0.03 -0.04 7.38 7.33 2js1A11 PHE 5 HZ 0.03 0.00 -0.01 -0.04 7.32 7.30 2js1A11 SER 6 H 0.15 0.06 -0.23 -0.55 8.46 7.90 2js1A11 SER 6 HA 0.07 0.08 0.51 -0.75 4.49 4.40 2js1A11 SER 6 HB2 0.12 -0.09 -0.03 -0.04 3.95 3.91 2js1A11 SER 6 HB3 0.12 0.04 0.07 -0.04 3.93 4.11 2js1A11 VAL 7 H 0.05 0.14 0.20 -0.55 8.24 8.08 2js1A11 VAL 7 HA 0.22 0.15 0.48 -0.75 4.13 4.22 2js1A11 VAL 7 HB 0.06 0.02 0.03 -0.04 2.12 2.19 2js1A11 VAL 7 HG13 0.13 0.01 -0.01 -0.04 0.97 1.06 2js1A11 VAL 7 HG23 0.02 0.03 0.12 -0.04 0.95 1.08 2js1A11 PRO 8 HA 0.05 0.07 0.32 -0.51 4.44 4.37 2js1A11 PRO 8 HB2 0.07 0.06 -0.08 -0.04 2.28 2.28 2js1A11 PRO 8 HB3 0.03 0.08 0.06 -0.04 2.02 2.15 2js1A11 PRO 8 HG2 0.05 0.07 0.04 -0.04 2.03 2.15 2js1A11 PRO 8 HG3 0.04 0.09 0.06 -0.04 2.03 2.17 2js1A11 PRO 8 HD2 0.09 -0.01 -0.03 -0.04 3.68 3.69 2js1A11 PRO 8 HD3 0.06 0.11 0.19 -0.04 3.65 3.96 2js1A11 TYR 9 H 0.18 0.20 -0.84 -0.55 8.29 7.28 2js1A11 TYR 9 HA -0.03 0.05 0.37 -0.75 4.56 4.19 2js1A11 TYR 9 HB2 -0.04 -0.04 0.07 -0.04 3.06 3.01 2js1A11 TYR 9 HB3 -0.10 0.26 0.09 -0.04 2.98 3.18 2js1A11 TYR 9 HD2 -0.31 -0.00 -0.06 -0.04 7.15 6.74 2js1A11 TYR 9 HE2 -0.18 0.01 -0.10 -0.04 6.85 6.54 2js1A11 PHE 10 H 0.20 0.39 -0.08 -0.55 8.34 8.29 2js1A11 PHE 10 HA -0.14 0.06 0.40 -0.75 4.62 4.19 2js1A11 PHE 10 HB2 0.10 0.18 0.20 -0.04 3.15 3.59 2js1A11 PHE 10 HB3 0.14 -0.04 -0.02 -0.04 3.06 3.10 2js1A11 PHE 10 HD2 0.22 0.02 0.07 -0.04 7.28 7.54 2js1A11 PHE 10 HE2 0.14 0.02 0.01 -0.04 7.38 7.51 2js1A11 PHE 10 HZ 0.10 -0.00 -0.00 -0.04 7.32 7.37 2js1A11 ILE 11 H 0.07 0.28 -0.30 -0.55 8.25 7.75 2js1A11 ILE 11 HA -0.12 0.02 0.42 -0.75 4.18 3.75 2js1A11 ILE 11 HB -0.03 0.14 0.11 -0.04 1.89 2.08 2js1A11 ILE 11 HG12 0.02 -0.06 0.02 -0.04 1.49 1.43 2js1A11 ILE 11 HG13 0.07 0.11 0.00 -0.04 1.21 1.35 2js1A11 ILE 11 HG23 -0.06 -0.00 -0.05 -0.04 0.93 0.77 2js1A11 ILE 11 HD13 0.01 0.00 -0.07 -0.04 0.88 0.78 2js1A11 GLU 12 H -0.11 0.58 -0.13 -0.55 8.60 8.39 2js1A11 GLU 12 HA -0.12 -0.01 0.36 -0.75 4.29 3.77 2js1A11 GLU 12 HB2 -0.22 0.22 0.17 -0.04 2.09 2.22 2js1A11 GLU 12 HB3 -0.12 -0.04 0.04 -0.04 1.99 1.82 2js1A11 GLU 12 HG2 -0.04 -0.04 0.05 -0.04 2.34 2.26 2js1A11 GLU 12 HG3 -0.04 0.16 0.08 -0.04 2.34 2.50 2js1A11 ASN 13 H -0.29 0.33 -0.75 -0.55 8.53 7.27 2js1A11 ASN 13 HA -0.26 0.05 0.48 -0.75 4.76 4.27 2js1A11 ASN 13 HB2 -0.25 0.20 0.12 -0.04 2.88 2.90 2js1A11 ASN 13 HB3 -0.13 -0.06 0.04 -0.04 2.79 2.59 2js1A11 ASN 13 HD21 -0.05 -0.02 0.06 -0.04 7.03 6.98 2js1A11 ASN 13 HD22 -0.84 -0.05 -0.11 -0.04 7.74 6.70 2js1A11 LEU 14 H -0.37 0.44 -0.06 -0.55 8.37 7.83 2js1A11 LEU 14 HA -0.85 0.02 0.48 -0.75 4.35 3.26 2js1A11 LEU 14 HB2 -0.20 0.10 0.09 -0.04 1.64 1.59 2js1A11 LEU 14 HB3 -0.17 -0.09 0.05 -0.04 1.64 1.39 2js1A11 LEU 14 HG -0.41 0.21 0.24 -0.04 1.64 1.63 2js1A11 LEU 14 HD13 -0.21 -0.02 -0.07 -0.04 0.93 0.58 2js1A11 LEU 14 HD23 -1.04 -0.03 -0.08 -0.04 0.89 -0.30 2js1A11 LYS 15 H -0.22 0.47 -0.16 -0.55 8.42 7.96 2js1A11 LYS 15 HA -0.09 0.04 0.33 -0.75 4.32 3.85 2js1A11 LYS 15 HB2 -0.11 0.19 0.09 -0.04 1.87 2.00 2js1A11 LYS 15 HB3 -0.07 -0.00 0.01 -0.04 1.79 1.69 2js1A11 LYS 15 HG2 -0.07 0.01 -0.01 -0.04 1.46 1.35 2js1A11 LYS 15 HG3 -0.11 0.10 -0.05 -0.04 1.46 1.36 2js1A11 LYS 15 HD2 -0.06 -0.00 0.01 -0.04 1.69 1.59 2js1A11 LYS 15 HD3 -0.05 0.02 -0.01 -0.04 1.68 1.60 2js1A11 LYS 15 HE2 -0.06 -0.05 -0.15 -0.04 2.99 2.69 2js1A11 LYS 15 HE3 -0.04 -0.01 -0.04 -0.04 2.99 2.87 2js1A11 GLN 16 H -0.21 0.31 -0.49 -0.55 8.47 7.53 2js1A11 GLN 16 HA -0.02 0.02 0.39 -0.75 4.36 3.99 2js1A11 GLN 16 HB2 -0.06 0.04 0.09 -0.04 2.15 2.18 2js1A11 GLN 16 HB3 -0.08 0.20 0.06 -0.04 2.02 2.17 2js1A11 GLN 16 HG2 0.10 -0.09 -0.15 -0.04 2.40 2.21 2js1A11 GLN 16 HG3 0.02 -0.03 0.07 -0.04 2.39 2.40 2js1A11 GLN 16 HE21 0.01 -0.01 0.01 -0.04 6.97 6.94 2js1A11 GLN 16 HE22 0.02 0.01 -0.00 -0.04 7.69 7.67 2js1A11 HIS 17 H -0.25 0.30 -0.38 -0.55 8.41 7.54 2js1A11 HIS 17 HA 0.00 -0.13 0.34 -0.75 4.63 4.09 2js1A11 HIS 17 HB2 -0.01 0.12 0.22 -0.04 3.26 3.55 2js1A11 HIS 17 HB3 0.02 -0.09 0.08 -0.04 3.20 3.16 2js1A11 HIS 17 HD2 -0.00 -0.13 -0.17 -0.04 6.97 6.61 2js1A11 HIS 17 HE1 0.04 -0.05 -0.10 -0.04 7.75 7.60 2js1A11 ILE 18 H 0.05 0.37 -0.00 -0.55 8.25 8.11 2js1A11 ILE 18 HA 0.05 0.06 0.51 -0.75 4.18 4.05 2js1A11 ILE 18 HB 0.01 -0.03 0.02 -0.04 1.89 1.85 2js1A11 ILE 18 HG12 -0.03 0.06 0.19 -0.04 1.49 1.67 2js1A11 ILE 18 HG13 -0.01 0.09 0.00 -0.04 1.21 1.26 2js1A11 ILE 18 HG23 0.03 0.00 0.02 -0.04 0.93 0.94 2js1A11 ILE 18 HD13 -0.03 -0.03 -0.07 -0.04 0.88 0.71 2js1A11 GLU 19 H 0.00 0.60 -0.02 -0.55 8.60 8.63 2js1A11 GLU 19 HA 0.00 -0.03 0.38 -0.75 4.29 3.89 2js1A11 GLU 19 HB2 -0.01 0.00 0.11 -0.04 2.09 2.14 2js1A11 GLU 19 HB3 -0.00 -0.10 0.14 -0.04 1.99 1.98 2js1A11 GLU 19 HG2 0.00 -0.01 -0.24 -0.04 2.34 2.05 2js1A11 GLU 19 HG3 -0.00 -0.02 0.02 -0.04 2.34 2.30 2js1A11 MET 20 H 0.03 0.33 -0.27 -0.55 8.47 8.01 2js1A11 MET 20 HA 0.02 0.16 0.76 -0.75 4.52 4.71 2js1A11 MET 20 HB2 0.03 0.05 0.18 -0.04 2.15 2.37 2js1A11 MET 20 HB3 0.02 -0.09 0.14 -0.04 2.03 2.07 2js1A11 MET 20 HG2 0.01 0.09 -0.17 -0.04 2.63 2.52 2js1A11 MET 20 HG3 0.01 -0.02 -0.10 -0.04 2.56 2.41 2js1A11 MET 20 HE3 0.02 -0.01 0.01 -0.04 2.10 2.08 2js1A11 ASN 21 H 0.03 0.03 0.04 -0.55 8.53 8.09 2js1A11 ASN 21 HA 0.03 0.14 0.38 -0.75 4.76 4.56 2js1A11 ASN 21 HB2 0.02 -0.06 0.11 -0.04 2.88 2.91 2js1A11 ASN 21 HB3 0.02 0.27 -0.13 -0.04 2.79 2.92 2js1A11 ASN 21 HD21 0.01 0.01 -0.04 -0.04 7.03 6.97 2js1A11 ASN 21 HD22 0.01 -0.02 -0.05 -0.04 7.74 7.64 2js1A11 GLN 22 H 0.05 0.22 0.07 -0.55 8.47 8.26 2js1A11 GLN 22 HA 0.02 0.08 0.40 -0.75 4.36 4.10 2js1A11 GLN 22 HB2 0.05 0.00 0.11 -0.04 2.15 2.27 2js1A11 GLN 22 HB3 0.04 -0.00 0.00 -0.04 2.02 2.02 2js1A11 GLN 22 HG2 0.02 -0.00 0.06 -0.04 2.40 2.44 2js1A11 GLN 22 HG3 0.03 0.00 -0.01 -0.04 2.39 2.38 2js1A11 GLN 22 HE21 0.01 -0.01 0.03 -0.04 6.97 6.96 2js1A11 GLN 22 HE22 0.01 -0.01 0.11 -0.04 7.69 7.77 2js1A11 SER 23 H -0.02 0.01 -0.30 -0.55 8.46 7.61 2js1A11 SER 23 HA -0.01 0.14 0.34 -0.75 4.49 4.21 2js1A11 SER 23 HB2 -0.02 -0.02 0.15 -0.04 3.95 4.02 2js1A11 SER 23 HB3 -0.01 0.22 0.04 -0.04 3.93 4.14 2js1A11 GLU 24 H -0.02 0.24 -0.08 -0.55 8.60 8.19 2js1A11 GLU 24 HA -0.04 0.10 0.42 -0.75 4.29 4.01 2js1A11 GLU 24 HB2 -0.28 0.08 -0.32 -0.04 2.09 1.53 2js1A11 GLU 24 HB3 -0.09 0.11 0.10 -0.04 1.99 2.07 2js1A11 GLU 24 HG2 -0.13 -0.00 0.09 -0.04 2.34 2.26 2js1A11 GLU 24 HG3 -0.00 -0.05 0.04 -0.04 2.34 2.29 2js1A11 ASP 25 H 0.02 0.19 0.07 -0.55 8.40 8.13 2js1A11 ASP 25 HA 0.04 0.22 0.54 -0.75 4.63 4.67 2js1A11 ASP 25 HB2 0.11 -0.08 -0.29 -0.04 2.71 2.40 2js1A11 ASP 25 HB3 0.10 -0.21 0.12 -0.04 2.70 2.66 2js1A11 LYS 26 H 0.11 0.07 0.07 -0.55 8.42 8.11 2js1A11 LYS 26 HA 0.06 0.33 0.62 -0.75 4.32 4.57 2js1A11 LYS 26 HB2 0.06 0.15 0.16 -0.04 1.87 2.20 2js1A11 LYS 26 HB3 0.09 -0.22 0.29 -0.04 1.79 1.91 2js1A11 LYS 26 HG2 0.03 -0.06 0.04 -0.04 1.46 1.42 2js1A11 LYS 26 HG3 0.03 0.16 0.08 -0.04 1.46 1.69 2js1A11 LYS 26 HD2 0.03 0.09 0.07 -0.04 1.69 1.83 2js1A11 LYS 26 HD3 0.04 -0.09 0.08 -0.04 1.68 1.67 2js1A11 LYS 26 HE2 0.02 0.10 0.04 -0.04 2.99 3.10 2js1A11 LYS 26 HE3 0.02 0.03 0.03 -0.04 2.99 3.02 2js1A11 ILE 27 H 0.04 0.20 0.17 -0.55 8.25 8.11 2js1A11 ILE 27 HA -0.00 0.17 0.48 -0.75 4.18 4.07 2js1A11 ILE 27 HB -0.22 -0.01 0.10 -0.04 1.89 1.72 2js1A11 ILE 27 HG12 -0.01 0.08 0.04 -0.04 1.49 1.55 2js1A11 ILE 27 HG13 -0.01 0.01 0.12 -0.04 1.21 1.29 2js1A11 ILE 27 HG23 -0.08 0.00 -0.00 -0.04 0.93 0.81 2js1A11 ILE 27 HD13 -0.03 0.02 0.04 -0.04 0.88 0.87 2js1A11 HIS 28 H 0.06 0.10 -0.15 -0.55 8.41 7.88 2js1A11 HIS 28 HA 0.04 0.07 0.34 -0.75 4.63 4.32 2js1A11 HIS 28 HB2 0.03 -0.01 -0.04 -0.04 3.26 3.20 2js1A11 HIS 28 HB3 0.02 0.05 0.10 -0.04 3.20 3.33 2js1A11 HIS 28 HD2 0.01 0.02 0.01 -0.04 6.97 6.97 2js1A11 HIS 28 HE1 0.01 0.05 0.02 -0.04 7.75 7.79 2js1A11 ALA 29 H 0.09 0.22 -1.58 -0.55 8.40 6.58 2js1A11 ALA 29 HA 0.10 0.05 0.48 -0.75 4.34 4.22 2js1A11 ALA 29 HB3 0.16 0.09 0.01 -0.04 1.41 1.62 2js1A11 MET 30 H 0.11 0.40 0.06 -0.55 8.47 8.49 2js1A11 MET 30 HA 0.27 0.07 0.38 -0.75 4.52 4.49 2js1A11 MET 30 HB2 0.27 -0.05 0.07 -0.04 2.15 2.40 2js1A11 MET 30 HB3 0.14 0.06 0.18 -0.04 2.03 2.37 2js1A11 MET 30 HG2 0.19 0.06 0.10 -0.04 2.63 2.94 2js1A11 MET 30 HG3 0.09 0.01 0.20 -0.04 2.56 2.83 2js1A11 MET 30 HE3 -0.02 0.01 -0.03 -0.04 2.10 2.02 2js1A11 ASN 31 H 0.10 0.21 -0.26 -0.55 8.53 8.04 2js1A11 ASN 31 HA 0.06 0.04 0.32 -0.75 4.76 4.43 2js1A11 ASN 31 HB2 0.03 0.01 0.06 -0.04 2.88 2.93 2js1A11 ASN 31 HB3 0.10 0.10 0.04 -0.04 2.79 2.98 2js1A11 ASN 31 HD21 0.10 -0.00 -0.02 -0.04 7.03 7.06 2js1A11 ASN 31 HD22 0.05 0.02 -0.04 -0.04 7.74 7.72 2js1A11 SER 32 H 0.13 0.31 -0.33 -0.55 8.46 8.02 2js1A11 SER 32 HA 0.07 0.05 0.43 -0.75 4.49 4.28 2js1A11 SER 32 HB2 0.09 0.10 0.18 -0.04 3.95 4.28 2js1A11 SER 32 HB3 0.05 0.01 0.02 -0.04 3.93 3.97 2js1A11 TYR 33 H 0.25 0.67 0.01 -0.55 8.29 8.67 2js1A11 TYR 33 HA 0.06 0.03 0.40 -0.75 4.56 4.30 2js1A11 TYR 33 HB2 0.18 0.01 0.08 -0.04 3.06 3.29 2js1A11 TYR 33 HB3 0.16 0.07 0.11 -0.04 2.98 3.28 2js1A11 TYR 33 HD2 0.16 0.03 -0.13 -0.04 7.15 7.17 2js1A11 TYR 33 HE2 0.17 -0.01 -0.02 -0.04 6.85 6.94 2js1A11 TYR 34 H 0.26 0.52 -0.58 -0.55 8.29 7.93 2js1A11 TYR 34 HA -0.14 0.01 0.56 -0.75 4.56 4.23 2js1A11 TYR 34 HB2 0.10 -0.01 0.01 -0.04 3.06 3.12 2js1A11 TYR 34 HB3 -0.01 0.06 0.19 -0.04 2.98 3.19 2js1A11 TYR 34 HD2 0.00 0.02 -0.08 -0.04 7.15 7.04 2js1A11 TYR 34 HE2 -0.04 0.00 -0.09 -0.04 6.85 6.69 2js1A11 ARG 35 H 0.13 0.72 0.15 -0.55 8.46 8.90 2js1A11 ARG 35 HA -0.12 -0.01 0.42 -0.75 4.34 3.87 2js1A11 ARG 35 HB2 -0.00 -0.03 0.09 -0.04 1.90 1.91 2js1A11 ARG 35 HB3 0.08 -0.01 0.14 -0.04 1.80 1.97 2js1A11 ARG 35 HG2 0.04 -0.08 0.01 -0.04 1.67 1.60 2js1A11 ARG 35 HG3 0.04 0.20 0.31 -0.04 1.67 2.18 2js1A11 ARG 35 HD2 -0.02 0.08 -0.20 -0.04 3.22 3.05 2js1A11 ARG 35 HD3 -0.02 -0.06 -0.35 -0.04 3.22 2.74 2js1A11 SER 36 H -0.09 0.41 -0.48 -0.55 8.46 7.75 2js1A11 SER 36 HA -0.08 0.05 0.44 -0.75 4.49 4.15 2js1A11 SER 36 HB2 -0.05 -0.04 -0.01 -0.04 3.95 3.81 2js1A11 SER 36 HB3 -0.03 0.12 0.06 -0.04 3.93 4.03 2js1A11 VAL 37 H -0.39 0.43 -0.16 -0.55 8.24 7.58 2js1A11 VAL 37 HA -0.22 0.06 0.48 -0.75 4.13 3.69 2js1A11 VAL 37 HB -0.63 0.08 0.25 -0.04 2.12 1.78 2js1A11 VAL 37 HG13 -0.41 -0.02 -0.08 -0.04 0.97 0.41 2js1A11 VAL 37 HG23 -0.72 0.00 0.09 -0.04 0.95 0.29 2js1A11 VAL 38 H -0.46 0.63 0.06 -0.55 8.24 7.92 2js1A11 VAL 38 HA -0.27 -0.03 0.31 -0.75 4.13 3.39 2js1A11 VAL 38 HB -0.40 0.04 0.08 -0.04 2.12 1.80 2js1A11 VAL 38 HG13 -0.19 -0.01 -0.11 -0.04 0.97 0.62 2js1A11 VAL 38 HG23 -1.01 -0.01 0.05 -0.04 0.95 -0.06 2js1A11 SER 39 H -0.18 0.37 -0.45 -0.55 8.46 7.66 2js1A11 SER 39 HA -0.08 -0.01 0.28 -0.75 4.49 3.93 2js1A11 SER 39 HB2 -0.08 0.12 0.16 -0.04 3.95 4.11 2js1A11 SER 39 HB3 -0.06 -0.06 -0.03 -0.04 3.93 3.74 2js1A11 THR 40 H -0.10 0.45 -0.22 -0.55 8.28 7.85 2js1A11 THR 40 HA -0.04 0.08 0.31 -0.75 4.39 3.98 2js1A11 THR 40 HB -0.07 0.02 0.13 -0.04 4.32 4.36 2js1A11 THR 40 HG23 -0.02 -0.02 -0.07 -0.04 1.22 1.07 2js1A11 LEU 41 H -0.12 1.15 0.01 -0.55 8.37 8.86 2js1A11 LEU 41 HA -0.06 -0.01 0.36 -0.75 4.35 3.89 2js1A11 LEU 41 HB2 -0.16 0.14 -0.06 -0.04 1.64 1.52 2js1A11 LEU 41 HB3 -0.13 -0.01 -0.03 -0.04 1.64 1.43 2js1A11 LEU 41 HG -0.12 -0.02 -0.05 -0.04 1.64 1.41 2js1A11 LEU 41 HD13 -0.06 -0.02 -0.00 -0.04 0.93 0.80 2js1A11 LEU 41 HD23 -0.04 0.00 -0.01 -0.04 0.89 0.81 2js1A11 VAL 42 H -0.09 0.88 -0.26 -0.55 8.24 8.21 2js1A11 VAL 42 HA -0.05 -0.05 0.71 -0.75 4.13 3.99 2js1A11 VAL 42 HB -0.07 0.15 0.08 -0.04 2.12 2.25 2js1A11 VAL 42 HG13 -0.04 -0.04 0.11 -0.04 0.97 0.96 2js1A11 VAL 42 HG23 -0.09 -0.03 -0.02 -0.04 0.95 0.77 2js1A11 GLN 43 H -0.04 0.28 -0.78 -0.55 8.47 7.38 2js1A11 GLN 43 HA -0.03 -0.02 0.42 -0.75 4.36 3.98 2js1A11 GLN 43 HB2 -0.04 0.09 -0.25 -0.04 2.15 1.92 2js1A11 GLN 43 HB3 -0.03 0.03 0.07 -0.04 2.02 2.05 2js1A11 GLN 43 HG2 -0.02 -0.05 0.18 -0.04 2.40 2.47 2js1A11 GLN 43 HG3 -0.02 -0.02 0.15 -0.04 2.39 2.45 2js1A11 GLN 43 HE21 -0.02 -0.02 0.03 -0.04 6.97 6.92 2js1A11 GLN 43 HE22 -0.02 -0.04 0.01 -0.04 7.69 7.61 2js1A11 ASP 44 H -0.03 -0.09 0.09 -0.55 8.40 7.83 2js1A11 ASP 44 HA -0.01 0.11 0.58 -0.75 4.63 4.55 2js1A11 ASP 44 HB2 -0.02 0.04 -0.13 -0.04 2.71 2.56 2js1A11 ASP 44 HB3 -0.02 -0.03 -0.01 -0.04 2.70 2.61 2js1A11 GLN 45 H -0.02 -0.03 0.01 -0.55 8.47 7.89 2js1A11 GLN 45 HA -0.01 0.19 0.66 -0.75 4.36 4.45 2js1A11 GLN 45 HB2 -0.01 0.17 -0.12 -0.04 2.15 2.15 2js1A11 GLN 45 HB3 -0.02 -0.07 0.23 -0.04 2.02 2.11 2js1A11 GLN 45 HG2 -0.01 -0.38 -0.10 -0.04 2.40 1.87 2js1A11 GLN 45 HG3 -0.00 0.10 0.04 -0.04 2.39 2.49 2js1A11 GLN 45 HE21 -0.00 -0.08 -0.00 -0.04 6.97 6.84 2js1A11 GLN 45 HE22 -0.00 0.05 -0.03 -0.04 7.69 7.67 2js1A11 LEU 46 H -0.02 0.23 0.18 -0.55 8.37 8.21 2js1A11 LEU 46 HA -0.02 -0.02 0.30 -0.75 4.35 3.86 2js1A11 LEU 46 HB2 -0.02 -0.04 -0.21 -0.04 1.64 1.33 2js1A11 LEU 46 HB3 -0.01 0.25 0.11 -0.04 1.64 1.95 2js1A11 LEU 46 HG -0.01 -0.07 0.05 -0.04 1.64 1.56 2js1A11 LEU 46 HD13 -0.02 0.00 -0.02 -0.04 0.93 0.86 2js1A11 LEU 46 HD23 -0.01 0.01 0.01 -0.04 0.89 0.87 2js1A11 THR 47 H -0.01 0.02 -0.13 -0.55 8.28 7.61 2js1A11 THR 47 HA -0.01 0.21 0.45 -0.75 4.39 4.29 2js1A11 THR 47 HB -0.01 -0.10 0.07 -0.04 4.32 4.25 2js1A11 THR 47 HG23 -0.00 0.00 -0.07 -0.04 1.22 1.10 2js1A11 LYS 48 H -0.02 0.07 -0.06 -0.55 8.42 7.86 2js1A11 LYS 48 HA -0.01 0.18 0.40 -0.75 4.32 4.14 2js1A11 LYS 48 HB2 -0.01 0.38 -0.06 -0.04 1.87 2.15 2js1A11 LYS 48 HB3 -0.01 -0.19 -0.05 -0.04 1.79 1.50 2js1A11 LYS 48 HG2 -0.01 -0.45 -0.03 -0.04 1.46 0.93 2js1A11 LYS 48 HG3 -0.01 0.12 0.16 -0.04 1.46 1.69 2js1A11 LYS 48 HD2 -0.00 0.14 0.03 -0.04 1.69 1.82 2js1A11 LYS 48 HD3 -0.01 -0.05 -0.00 -0.04 1.68 1.58 2js1A11 LYS 48 HE2 -0.00 0.08 0.02 -0.04 2.99 3.04 2js1A11 LYS 48 HE3 -0.01 -0.13 0.04 -0.04 2.99 2.86 2js1A11 ASN 49 H -0.01 0.29 0.13 -0.55 8.53 8.39 2js1A11 ASN 49 HA -0.02 0.10 0.41 -0.75 4.76 4.50 2js1A11 ASN 49 HB2 -0.01 -0.01 0.13 -0.04 2.88 2.94 2js1A11 ASN 49 HB3 -0.01 0.07 0.07 -0.04 2.79 2.87 2js1A11 ASN 49 HD21 -0.01 0.01 0.06 -0.04 7.03 7.05 2js1A11 ASN 49 HD22 -0.01 0.07 0.05 -0.04 7.74 7.81 2js1A11 ALA 50 H -0.02 0.12 -0.17 -0.55 8.40 7.79 2js1A11 ALA 50 HA -0.03 0.09 0.43 -0.75 4.34 4.09 2js1A11 ALA 50 HB3 -0.01 0.04 0.05 -0.04 1.41 1.44 2js1A11 VAL 51 H -0.02 0.02 -0.25 -0.55 8.24 7.43 2js1A11 VAL 51 HA -0.05 0.09 0.35 -0.75 4.13 3.77 2js1A11 VAL 51 HB -0.02 -0.04 0.13 -0.04 2.12 2.15 2js1A11 VAL 51 HG13 -0.02 0.02 -0.10 -0.04 0.97 0.83 2js1A11 VAL 51 HG23 -0.01 0.01 -0.02 -0.04 0.95 0.89 2js1A11 VAL 52 H -0.04 0.63 -0.09 -0.55 8.24 8.19 2js1A11 VAL 52 HA -0.06 0.11 0.54 -0.75 4.13 3.97 2js1A11 VAL 52 HB -0.05 0.05 0.01 -0.04 2.12 2.09 2js1A11 VAL 52 HG13 -0.03 0.01 0.07 -0.04 0.97 0.97 2js1A11 VAL 52 HG23 -0.03 0.03 0.08 -0.04 0.95 0.98 2js1A11 LEU 53 H -0.05 0.75 0.07 -0.55 8.37 8.60 2js1A11 LEU 53 HA -0.04 -0.01 0.41 -0.75 4.35 3.97 2js1A11 LEU 53 HB2 -0.02 0.02 0.16 -0.04 1.64 1.75 2js1A11 LEU 53 HB3 -0.04 -0.06 0.25 -0.04 1.64 1.76 2js1A11 LEU 53 HG -0.01 -0.01 -0.25 -0.04 1.64 1.32 2js1A11 LEU 53 HD13 -0.00 -0.02 0.04 -0.04 0.93 0.90 2js1A11 LEU 53 HD23 -0.00 -0.01 -0.03 -0.04 0.89 0.81 2js1A11 LYS 54 H -0.09 0.64 -0.01 -0.55 8.42 8.40 2js1A11 LYS 54 HA -0.18 -0.02 0.35 -0.75 4.32 3.71 2js1A11 LYS 54 HB2 -0.34 -0.05 0.07 -0.04 1.87 1.52 2js1A11 LYS 54 HB3 -0.13 0.10 0.15 -0.04 1.79 1.87 2js1A11 LYS 54 HG2 -0.19 0.18 0.02 -0.04 1.46 1.43 2js1A11 LYS 54 HG3 -0.43 -0.05 -0.30 -0.04 1.46 0.64 2js1A11 LYS 54 HD2 -0.10 -0.05 -0.03 -0.04 1.69 1.47 2js1A11 LYS 54 HD3 -0.08 -0.05 -0.07 -0.04 1.68 1.44 2js1A11 LYS 54 HE2 -0.11 -0.01 -0.02 -0.04 2.99 2.80 2js1A11 LYS 54 HE3 -0.04 -0.06 -0.00 -0.04 2.99 2.85 2js1A11 ARG 55 H -0.17 0.26 -0.67 -0.55 8.46 7.32 2js1A11 ARG 55 HA -0.18 0.01 0.46 -0.75 4.34 3.88 2js1A11 ARG 55 HB2 -0.11 0.18 0.22 -0.04 1.90 2.16 2js1A11 ARG 55 HB3 -0.10 0.10 0.17 -0.04 1.80 1.93 2js1A11 ARG 55 HG2 -0.08 -0.01 0.02 -0.04 1.67 1.56 2js1A11 ARG 55 HG3 -0.11 -0.07 -0.02 -0.04 1.67 1.44 2js1A11 ARG 55 HD2 -0.02 -0.05 0.06 -0.04 3.22 3.18 2js1A11 ARG 55 HD3 -0.07 0.03 0.04 -0.04 3.22 3.18 2js1A11 ILE 56 H -0.08 0.63 0.05 -0.55 8.25 8.30 2js1A11 ILE 56 HA -0.05 0.00 0.47 -0.75 4.18 3.84 2js1A11 ILE 56 HB -0.02 0.08 0.23 -0.04 1.89 2.13 2js1A11 ILE 56 HG12 -0.07 0.29 0.04 -0.04 1.49 1.71 2js1A11 ILE 56 HG13 -0.05 -0.04 -0.02 -0.04 1.21 1.06 2js1A11 ILE 56 HG23 0.02 -0.02 -0.07 -0.04 0.93 0.82 2js1A11 ILE 56 HD13 -0.13 -0.01 -0.02 -0.04 0.88 0.67 2js1A11 GLN 57 H 0.01 0.69 0.03 -0.55 8.47 8.65 2js1A11 GLN 57 HA 0.10 0.01 0.38 -0.75 4.36 4.09 2js1A11 GLN 57 HB2 0.17 0.08 0.09 -0.04 2.15 2.44 2js1A11 GLN 57 HB3 0.14 -0.02 0.02 -0.04 2.02 2.12 2js1A11 GLN 57 HG2 0.06 -0.02 0.02 -0.04 2.40 2.42 2js1A11 GLN 57 HG3 0.03 0.11 0.03 -0.04 2.39 2.52 2js1A11 GLN 57 HE21 0.03 -0.01 -0.03 -0.04 6.97 6.92 2js1A11 GLN 57 HE22 0.03 -0.00 -0.02 -0.04 7.69 7.65 2js1A11 HIS 58 H 0.18 0.50 -0.36 -0.55 8.41 8.18 2js1A11 HIS 58 HA 0.02 0.01 0.49 -0.75 4.63 4.40 2js1A11 HIS 58 HB2 -0.00 0.13 0.24 -0.04 3.26 3.58 2js1A11 HIS 58 HB3 0.01 -0.10 0.05 -0.04 3.20 3.12 2js1A11 HIS 58 HD2 -0.03 -0.03 0.01 -0.04 6.97 6.87 2js1A11 HIS 58 HE1 0.00 -0.07 0.02 -0.04 7.75 7.66 2js1A11 LEU 59 H 0.10 0.73 -0.02 -0.55 8.37 8.63 2js1A11 LEU 59 HA 0.09 -0.02 0.44 -0.75 4.35 4.10 2js1A11 LEU 59 HB2 -0.07 0.13 0.18 -0.04 1.64 1.84 2js1A11 LEU 59 HB3 0.04 0.09 0.16 -0.04 1.64 1.89 2js1A11 LEU 59 HG 0.19 -0.13 0.00 -0.04 1.64 1.67 2js1A11 LEU 59 HD13 -0.14 -0.00 0.06 -0.04 0.93 0.81 2js1A11 LEU 59 HD23 -0.36 0.01 0.04 -0.04 0.89 0.54 2js1A11 ASP 60 H 0.16 0.56 -0.36 -0.55 8.40 8.22 2js1A11 ASP 60 HA 0.31 -0.04 0.37 -0.75 4.63 4.51 2js1A11 ASP 60 HB2 0.16 0.05 0.12 -0.04 2.71 3.00 2js1A11 ASP 60 HB3 0.13 0.23 0.11 -0.04 2.70 3.13 2js1A11 GLU 61 H 0.10 0.45 -0.36 -0.55 8.60 8.24 2js1A11 GLU 61 HA -0.00 0.00 0.38 -0.75 4.29 3.91 2js1A11 GLU 61 HB2 -0.01 -0.05 0.09 -0.04 2.09 2.08 2js1A11 GLU 61 HB3 0.01 0.09 0.17 -0.04 1.99 2.21 2js1A11 GLU 61 HG2 0.06 0.09 0.01 -0.04 2.34 2.46 2js1A11 GLU 61 HG3 0.01 -0.10 -0.30 -0.04 2.34 1.91 2js1A11 ALA 62 H 0.11 0.50 -0.41 -0.55 8.40 8.06 2js1A11 ALA 62 HA 0.02 0.02 0.47 -0.75 4.34 4.10 2js1A11 ALA 62 HB3 0.14 0.00 0.10 -0.04 1.41 1.61 2js1A11 TYR 63 H 0.26 0.42 0.02 -0.55 8.29 8.44 2js1A11 TYR 63 HA 0.04 -0.01 0.39 -0.75 4.56 4.23 2js1A11 TYR 63 HB2 -0.05 -0.05 0.05 -0.04 3.06 2.97 2js1A11 TYR 63 HB3 -0.00 0.10 0.15 -0.04 2.98 3.19 2js1A11 TYR 63 HD2 -0.08 0.03 0.03 -0.04 7.15 7.09 2js1A11 TYR 63 HE2 -0.09 -0.01 -0.05 -0.04 6.85 6.67 2js1A11 ASN 64 H -0.34 0.54 -0.26 -0.55 8.53 7.93 2js1A11 ASN 64 HA -1.00 -0.00 0.44 -0.75 4.76 3.45 2js1A11 ASN 64 HB2 -0.40 0.02 0.07 -0.04 2.88 2.54 2js1A11 ASN 64 HB3 -0.20 0.12 0.09 -0.04 2.79 2.75 2js1A11 ASN 64 HD21 -0.09 0.02 -0.03 -0.04 7.03 6.89 2js1A11 ASN 64 HD22 -0.09 -0.01 -0.04 -0.04 7.74 7.56 2js1A11 LYS 65 H -0.15 0.47 -0.27 -0.55 8.42 7.91 2js1A11 LYS 65 HA -0.09 0.02 0.39 -0.75 4.32 3.88 2js1A11 LYS 65 HB2 -0.06 0.16 0.25 -0.04 1.87 2.19 2js1A11 LYS 65 HB3 -0.05 -0.06 0.01 -0.04 1.79 1.65 2js1A11 LYS 65 HG2 -0.06 -0.03 0.09 -0.04 1.46 1.41 2js1A11 LYS 65 HG3 -0.03 -0.04 -0.02 -0.04 1.46 1.33 2js1A11 LYS 65 HD2 -0.03 -0.04 -0.01 -0.04 1.69 1.58 2js1A11 LYS 65 HD3 -0.03 -0.03 -0.01 -0.04 1.68 1.57 2js1A11 LYS 65 HE2 -0.05 -0.00 0.02 -0.04 2.99 2.92 2js1A11 LYS 65 HE3 -0.05 -0.01 -0.02 -0.04 2.99 2.87 2js1A11 VAL 66 H -0.12 0.44 -0.32 -0.55 8.24 7.69 2js1A11 VAL 66 HA -0.06 0.07 0.41 -0.75 4.13 3.80 2js1A11 VAL 66 HB -0.02 0.19 0.22 -0.04 2.12 2.47 2js1A11 VAL 66 HG13 0.00 -0.03 -0.03 -0.04 0.97 0.87 2js1A11 VAL 66 HG23 -0.03 0.04 0.03 -0.04 0.95 0.95 2js1A11 LYS 67 H -0.17 0.39 -0.11 -0.55 8.42 7.98 2js1A11 LYS 67 HA -0.05 0.02 0.50 -0.75 4.32 4.04 2js1A11 LYS 67 HB2 -0.20 0.13 0.19 -0.04 1.87 1.95 2js1A11 LYS 67 HB3 -0.08 -0.03 0.06 -0.04 1.79 1.70 2js1A11 LYS 67 HG2 -0.05 -0.05 0.10 -0.04 1.46 1.41 2js1A11 LYS 67 HG3 -0.17 0.04 0.06 -0.04 1.46 1.35 2js1A11 LYS 67 HD2 -0.02 -0.02 0.05 -0.04 1.69 1.66 2js1A11 LYS 67 HD3 0.04 -0.04 0.02 -0.04 1.68 1.66 2js1A11 LYS 67 HE2 0.15 0.00 -0.00 -0.04 2.99 3.09 2js1A11 LYS 67 HE3 -0.02 0.02 0.01 -0.04 2.99 2.96 2js1A11 ARG 68 H -0.12 0.64 -0.06 -0.55 8.46 8.37 2js1A11 ARG 68 HA -0.03 -0.01 0.49 -0.75 4.34 4.04 2js1A11 ARG 68 HB2 -0.08 -0.03 0.08 -0.04 1.90 1.82 2js1A11 ARG 68 HB3 -0.07 0.05 0.02 -0.04 1.80 1.76 2js1A11 ARG 68 HG2 -0.03 0.06 0.07 -0.04 1.67 1.73 2js1A11 ARG 68 HG3 -0.02 -0.09 0.07 -0.04 1.67 1.59 2js1A11 ARG 68 HD2 -0.04 -0.03 -0.01 -0.04 3.22 3.10 2js1A11 ARG 68 HD3 -0.04 0.01 -0.03 -0.04 3.22 3.12 2js1A11 GLY 69 H -0.06 0.05 -0.68 -0.55 8.43 7.21 2js1A11 GLY 69 HA2 -0.03 0.09 0.72 -0.51 4.01 4.28 2js1A11 GLY 69 HA3 -0.04 0.02 0.33 -0.51 4.01 3.81 2js1A11 GLU 70 H -0.03 0.25 -0.07 -0.55 8.60 8.20 2js1A11 GLU 70 HA -0.01 0.10 0.66 -0.75 4.29 4.29 2js1A11 GLU 70 HB2 -0.00 -0.09 0.08 -0.04 2.09 2.04 2js1A11 GLU 70 HB3 -0.01 0.00 0.12 -0.04 1.99 2.06 2js1A11 GLU 70 HG2 -0.02 -0.18 0.06 -0.04 2.34 2.16 2js1A11 GLU 70 HG3 -0.02 0.12 0.34 -0.04 2.34 2.73 2js1A11 SER 71 H -0.01 0.21 -0.12 -0.55 8.46 8.00 2js1A11 SER 71 HA 0.01 0.17 0.74 -0.75 4.49 4.65 2js1A11 SER 71 HB2 0.02 -0.02 0.07 -0.04 3.95 3.98 2js1A11 SER 71 HB3 0.02 0.15 0.13 -0.04 3.93 4.18 2js1A11 LYS 72 H 0.02 0.07 -0.05 -0.55 8.42 7.90 2js1A11 LYS 72 HA 0.00 0.16 0.51 -0.75 4.32 4.24 2js1A11 LYS 72 HB2 -0.00 -0.01 0.11 -0.04 1.87 1.92 2js1A11 LYS 72 HB3 -0.00 0.18 -0.10 -0.04 1.79 1.84 2js1A11 LYS 72 HG2 0.00 -0.01 -0.25 -0.04 1.46 1.16 2js1A11 LYS 72 HG3 -0.00 -0.01 -0.02 -0.04 1.46 1.38 2js1A11 LYS 72 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.59 2js1A11 LYS 72 HD3 -0.01 -0.01 0.00 -0.04 1.68 1.63 2js1A11 LYS 72 HE2 -0.00 -0.03 -0.03 -0.04 2.99 2.88 2js1A11 LYS 72 HE3 -0.00 0.01 -0.04 -0.04 2.99 2.92 2js1A11 LEU 73 H 0.03 0.14 0.02 -0.55 8.37 8.02 2js1A11 LEU 73 HA 0.04 -0.01 0.33 -0.75 4.35 3.96 2js1A11 LEU 73 HB2 -0.00 -0.03 -0.09 -0.04 1.64 1.48 2js1A11 LEU 73 HB3 -0.02 0.21 0.17 -0.04 1.64 1.96 2js1A11 LEU 73 HG -0.10 0.01 0.02 -0.04 1.64 1.53 2js1A11 LEU 73 HD13 0.02 -0.01 0.02 -0.04 0.93 0.92 2js1A11 LEU 73 HD23 -0.04 0.00 0.05 -0.04 0.89 0.86 2js1A11 GLU 74 H 0.07 0.06 -0.11 -0.55 8.60 8.08 2js1A11 GLU 74 HA -0.12 0.17 0.65 -0.75 4.29 4.24 2js1A11 GLU 74 HB2 0.02 -0.12 0.01 -0.04 2.09 1.95 2js1A11 GLU 74 HB3 0.00 -0.02 -0.01 -0.04 1.99 1.92 2js1A11 GLU 74 HG2 -0.02 0.26 -0.70 -0.04 2.34 1.84 2js1A11 GLU 74 HG3 -0.01 -0.05 -0.10 -0.04 2.34 2.14 2js1A11 HIS 75 H -0.36 0.37 -0.01 -0.55 8.41 7.86 2js1A11 HIS 75 HA 0.05 -0.00 0.48 -0.75 4.63 4.41 2js1A11 HIS 75 HB2 0.05 -0.02 0.01 -0.04 3.26 3.25 2js1A11 HIS 75 HB3 0.02 0.13 -0.07 -0.04 3.20 3.24 2js1A11 HIS 75 HD2 0.00 -0.11 -0.18 -0.04 6.97 6.64 2js1A11 HIS 75 HE1 0.02 0.03 -0.03 -0.04 7.75 7.72 2js1A11 HIS 76 H 0.19 0.09 0.06 -0.55 8.41 8.21 2js1A11 HIS 76 HA 0.07 -0.07 0.42 -0.75 4.63 4.29 2js1A11 HIS 76 HB2 0.10 -0.02 -0.06 -0.04 3.26 3.25 2js1A11 HIS 76 HB3 0.17 0.25 -0.01 -0.04 3.20 3.57 2js1A11 HIS 76 HD2 -0.02 0.05 -0.03 -0.04 6.97 6.93 2js1A11 HIS 76 HE1 0.05 0.01 0.05 -0.04 7.75 7.82 2js1A11 HIS 77 H 0.31 0.06 0.09 -0.55 8.41 8.33 2js1A11 HIS 77 HA -0.08 0.10 0.32 -0.75 4.63 4.22 2js1A11 HIS 77 HB2 -0.03 -0.01 0.08 -0.04 3.26 3.27 2js1A11 HIS 77 HB3 -0.13 -0.09 0.03 -0.04 3.20 2.97 2js1A11 HIS 77 HD2 -0.48 -0.08 -0.29 -0.04 6.97 6.08 2js1A11 HIS 77 HE1 -0.04 0.00 -0.01 -0.04 7.75 7.66 2js1A11 HIS 78 H -0.42 -0.09 -0.22 -0.55 8.41 7.13 2js1A11 HIS 78 HA -0.58 -0.09 0.33 -0.75 4.63 3.53 2js1A11 HIS 78 HB2 -0.79 -0.03 -0.13 -0.04 3.26 2.28 2js1A11 HIS 78 HB3 -0.40 0.23 -0.07 -0.04 3.20 2.92 2js1A11 HIS 78 HD2 -0.12 -0.01 -0.04 -0.04 6.97 6.76 2js1A11 HIS 78 HE1 -0.04 -0.00 -0.01 -0.04 7.75 7.65 2js1A11 HIS 79 H 0.04 0.01 0.06 -0.55 8.41 7.97 2js1A11 HIS 79 HA 0.00 0.02 0.38 -0.75 4.63 4.28 2js1A11 HIS 79 HB2 0.09 0.02 0.10 -0.04 3.26 3.43 2js1A11 HIS 79 HB3 0.06 -0.00 0.01 -0.04 3.20 3.22 2js1A11 HIS 79 HD2 0.15 0.01 0.04 -0.04 6.97 7.13 2js1A11 HIS 79 HE1 0.08 0.02 -0.02 -0.04 7.75 7.77 2js1A11 HIS 80 H 0.07 0.07 0.11 -0.55 8.41 8.11 2js1A11 HIS 80 HA -0.27 0.16 0.23 -0.75 4.63 3.99 2js1A11 HIS 80 HB2 -0.13 0.06 0.11 -0.04 3.26 3.27 2js1A11 HIS 80 HB3 -0.05 -0.03 0.10 -0.04 3.20 3.18 2js1A11 HIS 80 HD2 -0.13 0.04 0.03 -0.04 6.97 6.86 2js1A11 HIS 80 HE1 -0.03 -0.01 0.02 -0.04 7.75 7.68