============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 9 1.040 -10.244 2.365 -0.391 -99.200 -91.000 TRP6 9 1.020 -7.951 1.841 -0.250 -99.200 -91.000 TYR 13 0.840 -7.388 -1.539 4.381 -99.200 -91.000 PHE 19 1.000 0.882 -9.305 -3.489 -99.200 -91.000 TYR 23 0.840 3.761 -13.311 -2.577 -99.200 -91.000 PHE 26 1.000 3.685 -4.139 -3.611 -99.200 -91.000 TRP 37 1.040 -2.825 -0.246 -3.578 -99.200 -91.000 TRP6 37 1.020 -2.288 0.561 -1.427 -99.200 -91.000 HIS 39 0.900 2.866 -0.054 -12.808 -99.200 -91.000 PHE 63 1.000 5.177 -2.132 1.260 -99.200 -91.000 TRP 65 1.040 7.424 0.981 5.846 -99.200 -91.000 TRP6 65 1.020 6.177 1.728 3.986 -99.200 -91.000 HIS 69 0.900 20.611 -5.345 2.903 -99.200 -91.000 HIS 70 0.900 27.491 -1.180 1.628 -99.200 -91.000 HIS 71 0.900 22.007 -4.928 -2.627 -99.200 -91.000 HIS 72 0.900 29.910 -4.239 -3.943 -99.200 -91.000 HIS 73 0.900 27.341 3.159 -2.720 -99.200 -91.000 HIS 74 0.900 25.768 3.434 -10.465 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ktaA19 MET 1 HA 0.01 -0.06 0.18 -0.75 4.52 3.89 2ktaA19 MET 1 HB2 0.01 -0.01 -0.01 -0.04 2.15 2.09 2ktaA19 MET 1 HB3 0.01 -0.04 -0.08 -0.04 2.03 1.88 2ktaA19 MET 1 HG2 0.01 0.00 0.02 -0.04 2.63 2.62 2ktaA19 MET 1 HG3 0.00 0.01 0.03 -0.04 2.56 2.56 2ktaA19 MET 1 HE3 0.00 0.01 -0.00 -0.04 2.10 2.07 2ktaA19 ASN 2 H 0.01 0.17 0.01 -0.55 8.53 8.16 2ktaA19 ASN 2 HA 0.01 0.15 0.83 -0.75 4.76 5.00 2ktaA19 ASN 2 HB2 0.01 -0.03 0.11 -0.04 2.88 2.93 2ktaA19 ASN 2 HB3 0.02 -0.03 -0.03 -0.04 2.79 2.71 2ktaA19 ASN 2 HD21 0.01 -0.07 -0.19 -0.04 7.03 6.74 2ktaA19 ASN 2 HD22 0.01 0.03 -0.12 -0.04 7.74 7.62 2ktaA19 GLN 3 H 0.01 0.12 0.09 -0.55 8.47 8.14 2ktaA19 GLN 3 HA 0.01 0.21 0.86 -0.75 4.36 4.70 2ktaA19 GLN 3 HB2 0.01 0.01 0.02 -0.04 2.15 2.14 2ktaA19 GLN 3 HB3 0.01 0.00 0.06 -0.04 2.02 2.05 2ktaA19 GLN 3 HG2 0.01 0.02 -0.04 -0.04 2.40 2.35 2ktaA19 GLN 3 HG3 0.01 0.07 -0.05 -0.04 2.39 2.38 2ktaA19 GLN 3 HE21 0.01 0.08 -0.24 -0.04 6.97 6.78 2ktaA19 GLN 3 HE22 0.01 0.00 -0.09 -0.04 7.69 7.57 2ktaA19 ASN 4 H 0.01 0.02 0.16 -0.55 8.53 8.17 2ktaA19 ASN 4 HA 0.02 0.16 0.94 -0.75 4.76 5.12 2ktaA19 ASN 4 HB2 0.01 0.04 0.07 -0.04 2.88 2.96 2ktaA19 ASN 4 HB3 0.01 0.01 0.05 -0.04 2.79 2.82 2ktaA19 ASN 4 HD21 0.01 0.04 -0.05 -0.04 7.03 6.98 2ktaA19 ASN 4 HD22 0.01 0.03 -0.02 -0.04 7.74 7.72 2ktaA19 LEU 5 H 0.02 0.14 0.15 -0.55 8.37 8.14 2ktaA19 LEU 5 HA 0.04 -0.01 0.36 -0.75 4.35 3.99 2ktaA19 LEU 5 HB2 0.01 0.20 -0.07 -0.04 1.64 1.74 2ktaA19 LEU 5 HB3 0.02 0.02 0.27 -0.04 1.64 1.91 2ktaA19 LEU 5 HG 0.01 -0.02 0.07 -0.04 1.64 1.66 2ktaA19 LEU 5 HD13 0.01 -0.01 -0.07 -0.04 0.93 0.82 2ktaA19 LEU 5 HD23 -0.01 0.02 0.02 -0.04 0.89 0.87 2ktaA19 GLN 6 H 0.04 -0.01 -0.17 -0.55 8.47 7.79 2ktaA19 GLN 6 HA 0.04 0.23 0.25 -0.75 4.36 4.13 2ktaA19 GLN 6 HB2 0.04 -0.02 0.04 -0.04 2.15 2.16 2ktaA19 GLN 6 HB3 0.03 0.11 -0.19 -0.04 2.02 1.94 2ktaA19 GLN 6 HG2 0.05 -0.08 -0.07 -0.04 2.40 2.26 2ktaA19 GLN 6 HG3 0.06 -0.08 -0.39 -0.04 2.39 1.93 2ktaA19 GLN 6 HE21 0.04 -0.08 -0.05 -0.04 6.97 6.84 2ktaA19 GLN 6 HE22 0.03 0.06 -0.03 -0.04 7.69 7.70 2ktaA19 GLY 7 H 0.05 0.22 0.04 -0.55 8.43 8.20 2ktaA19 GLY 7 HA2 0.12 0.13 0.57 -0.51 4.01 4.32 2ktaA19 GLY 7 HA3 0.08 0.09 0.41 -0.51 4.01 4.08 2ktaA19 GLU 8 H 0.12 0.73 -0.46 -0.55 8.60 8.45 2ktaA19 GLU 8 HA 0.08 0.14 0.46 -0.75 4.29 4.21 2ktaA19 GLU 8 HB2 0.09 0.01 -0.02 -0.04 2.09 2.14 2ktaA19 GLU 8 HB3 0.16 0.04 -0.02 -0.04 1.99 2.12 2ktaA19 GLU 8 HG2 0.09 0.04 -0.02 -0.04 2.34 2.41 2ktaA19 GLU 8 HG3 0.09 -0.06 0.03 -0.04 2.34 2.36 2ktaA19 TRP 9 H 0.32 0.22 -0.04 -0.55 7.97 7.92 2ktaA19 TRP 9 HA 0.15 0.06 0.33 -0.75 4.62 4.41 2ktaA19 TRP 9 HB2 0.08 0.08 0.09 -0.04 3.23 3.43 2ktaA19 TRP 9 HB3 0.06 -0.00 0.08 -0.04 3.23 3.32 2ktaA19 TRP 9 HD1 0.02 0.02 -0.07 -0.04 7.22 7.15 2ktaA19 TRP 9 HE1 -0.04 0.05 -0.06 -0.04 10.20 10.10 2ktaA19 TRP 9 HE3 0.31 -0.04 0.02 -0.04 7.59 7.84 2ktaA19 TRP 9 HZ2 0.02 0.04 -0.04 -0.04 7.44 7.41 2ktaA19 TRP 9 HZ3 1.10 0.02 -0.08 -0.04 7.13 8.13 2ktaA19 TRP 9 HH2 0.66 0.04 -0.04 -0.04 7.19 7.81 2ktaA19 MET 10 H 0.07 0.16 -0.32 -0.55 8.47 7.83 2ktaA19 MET 10 HA -0.48 0.07 0.32 -0.75 4.52 3.67 2ktaA19 MET 10 HB2 -0.02 -0.00 0.08 -0.04 2.15 2.16 2ktaA19 MET 10 HB3 -0.03 0.09 0.03 -0.04 2.03 2.08 2ktaA19 MET 10 HG2 -0.03 0.04 -0.01 -0.04 2.63 2.59 2ktaA19 MET 10 HG3 -0.07 -0.00 -0.08 -0.04 2.56 2.37 2ktaA19 MET 10 HE3 -0.25 -0.01 0.06 -0.04 2.10 1.85 2ktaA19 LYS 11 H -0.03 0.23 -0.39 -0.55 8.42 7.67 2ktaA19 LYS 11 HA -0.06 0.10 0.56 -0.75 4.32 4.16 2ktaA19 LYS 11 HB2 -0.01 0.02 0.10 -0.04 1.87 1.94 2ktaA19 LYS 11 HB3 0.01 0.14 0.17 -0.04 1.79 2.07 2ktaA19 LYS 11 HG2 -0.03 -0.02 0.05 -0.04 1.46 1.42 2ktaA19 LYS 11 HG3 -0.00 0.02 0.01 -0.04 1.46 1.45 2ktaA19 LYS 11 HD2 -0.02 -0.04 -0.57 -0.04 1.69 1.02 2ktaA19 LYS 11 HD3 -0.01 -0.00 -0.07 -0.04 1.68 1.56 2ktaA19 LYS 11 HE2 0.04 0.10 0.03 -0.04 2.99 3.12 2ktaA19 LYS 11 HE3 0.03 -0.07 -0.04 -0.04 2.99 2.87 2ktaA19 ASN 12 H -0.00 0.61 0.03 -0.55 8.53 8.62 2ktaA19 ASN 12 HA -0.02 -0.03 0.38 -0.75 4.76 4.34 2ktaA19 ASN 12 HB2 0.37 0.07 0.14 -0.04 2.88 3.41 2ktaA19 ASN 12 HB3 0.39 -0.02 -0.01 -0.04 2.79 3.11 2ktaA19 ASN 12 HD21 0.46 -0.01 -0.16 -0.04 7.03 7.28 2ktaA19 ASN 12 HD22 0.22 -0.03 -0.14 -0.04 7.74 7.75 2ktaA19 TYR 13 H -0.44 0.73 -0.17 -0.55 8.29 7.86 2ktaA19 TYR 13 HA -0.43 0.02 0.45 -0.75 4.56 3.85 2ktaA19 TYR 13 HB2 -1.64 -0.01 0.06 -0.04 3.06 1.42 2ktaA19 TYR 13 HB3 -0.63 0.14 0.11 -0.04 2.98 2.56 2ktaA19 TYR 13 HD2 -0.11 0.01 -0.04 -0.04 7.15 6.96 2ktaA19 TYR 13 HE2 0.05 0.01 -0.05 -0.04 6.85 6.82 2ktaA19 GLU 14 H -0.16 0.36 -0.18 -0.55 8.60 8.07 2ktaA19 GLU 14 HA -0.26 0.05 0.46 -0.75 4.29 3.79 2ktaA19 GLU 14 HB2 -0.09 0.11 0.23 -0.04 2.09 2.29 2ktaA19 GLU 14 HB3 -0.09 -0.02 0.05 -0.04 1.99 1.88 2ktaA19 GLU 14 HG2 -0.03 0.11 0.13 -0.04 2.34 2.52 2ktaA19 GLU 14 HG3 -0.04 -0.02 0.06 -0.04 2.34 2.30 2ktaA19 GLU 15 H -0.15 0.67 -0.12 -0.55 8.60 8.46 2ktaA19 GLU 15 HA -0.07 0.03 0.42 -0.75 4.29 3.92 2ktaA19 GLU 15 HB2 -0.07 0.09 0.08 -0.04 2.09 2.14 2ktaA19 GLU 15 HB3 -0.14 0.08 0.13 -0.04 1.99 2.03 2ktaA19 GLU 15 HG2 -0.08 -0.13 0.01 -0.04 2.34 2.11 2ktaA19 GLU 15 HG3 -0.07 -0.02 -0.05 -0.04 2.34 2.16 2ktaA19 LEU 16 H -0.30 0.64 -0.18 -0.55 8.37 7.99 2ktaA19 LEU 16 HA -0.22 -0.05 0.40 -0.75 4.35 3.72 2ktaA19 LEU 16 HB2 -0.85 -0.03 0.11 -0.04 1.64 0.83 2ktaA19 LEU 16 HB3 -0.52 0.21 0.20 -0.04 1.64 1.49 2ktaA19 LEU 16 HG -0.28 0.03 -0.29 -0.04 1.64 1.06 2ktaA19 LEU 16 HD13 -0.42 -0.03 -0.00 -0.04 0.93 0.44 2ktaA19 LEU 16 HD23 -0.76 -0.00 -0.05 -0.04 0.89 0.04 2ktaA19 LYS 17 H -0.35 0.52 -0.16 -0.55 8.42 7.88 2ktaA19 LYS 17 HA -0.17 0.04 0.39 -0.75 4.32 3.83 2ktaA19 LYS 17 HB2 -0.22 0.11 0.21 -0.04 1.87 1.93 2ktaA19 LYS 17 HB3 -0.17 0.01 0.02 -0.04 1.79 1.61 2ktaA19 LYS 17 HG2 -0.40 -0.02 0.03 -0.04 1.46 1.03 2ktaA19 LYS 17 HG3 -0.72 0.24 0.12 -0.04 1.46 1.06 2ktaA19 LYS 17 HD2 -0.70 -0.06 -0.08 -0.04 1.69 0.81 2ktaA19 LYS 17 HD3 -0.35 -0.07 -0.00 -0.04 1.68 1.21 2ktaA19 LYS 17 HE2 -0.13 0.03 0.01 -0.04 2.99 2.85 2ktaA19 LYS 17 HE3 -0.12 0.02 -0.01 -0.04 2.99 2.83 2ktaA19 SER 18 H -0.11 0.61 -0.05 -0.55 8.46 8.36 2ktaA19 SER 18 HA -0.07 0.05 0.41 -0.75 4.49 4.13 2ktaA19 SER 18 HB2 -0.06 0.00 0.13 -0.04 3.95 3.98 2ktaA19 SER 18 HB3 -0.03 0.06 0.18 -0.04 3.93 4.10 2ktaA19 PHE 19 H 0.09 0.63 -0.17 -0.55 8.34 8.34 2ktaA19 PHE 19 HA -0.04 0.01 0.36 -0.75 4.62 4.20 2ktaA19 PHE 19 HB2 -0.03 0.05 0.12 -0.04 3.15 3.25 2ktaA19 PHE 19 HB3 -0.00 0.04 0.14 -0.04 3.06 3.20 2ktaA19 PHE 19 HD2 0.19 0.03 -0.13 -0.04 7.28 7.32 2ktaA19 PHE 19 HE2 0.26 -0.01 -0.09 -0.04 7.38 7.50 2ktaA19 PHE 19 HZ -0.04 -0.03 -0.04 -0.04 7.32 7.17 2ktaA19 VAL 20 H 0.12 0.83 -0.02 -0.55 8.24 8.63 2ktaA19 VAL 20 HA 0.10 -0.10 0.43 -0.75 4.13 3.81 2ktaA19 VAL 20 HB 0.13 -0.04 0.06 -0.04 2.12 2.22 2ktaA19 VAL 20 HG13 -0.03 0.08 -0.08 -0.04 0.97 0.89 2ktaA19 VAL 20 HG23 0.04 -0.04 -0.21 -0.04 0.95 0.70 2ktaA19 ARG 21 H -0.06 0.51 -0.24 -0.55 8.46 8.12 2ktaA19 ARG 21 HA -0.07 0.13 0.53 -0.75 4.34 4.17 2ktaA19 ARG 21 HB2 -0.07 0.07 0.16 -0.04 1.90 2.02 2ktaA19 ARG 21 HB3 -0.09 0.03 0.12 -0.04 1.80 1.82 2ktaA19 ARG 21 HG2 -0.06 0.03 0.15 -0.04 1.67 1.74 2ktaA19 ARG 21 HG3 -0.06 -0.08 0.05 -0.04 1.67 1.53 2ktaA19 ARG 21 HD2 -0.09 -0.04 -0.05 -0.04 3.22 3.00 2ktaA19 ARG 21 HD3 -0.10 0.05 -0.06 -0.04 3.22 3.08 2ktaA19 LYS 22 H -0.19 0.17 -0.62 -0.55 8.42 7.23 2ktaA19 LYS 22 HA -0.27 0.07 0.49 -0.75 4.32 3.86 2ktaA19 LYS 22 HB2 -0.56 0.15 0.29 -0.04 1.87 1.71 2ktaA19 LYS 22 HB3 -0.92 -0.07 0.02 -0.04 1.79 0.78 2ktaA19 LYS 22 HG2 -0.28 -0.05 0.02 -0.04 1.46 1.10 2ktaA19 LYS 22 HG3 -0.21 0.21 0.04 -0.04 1.46 1.46 2ktaA19 LYS 22 HD2 -0.24 -0.05 -0.08 -0.04 1.69 1.28 2ktaA19 LYS 22 HD3 -0.36 -0.05 -0.01 -0.04 1.68 1.22 2ktaA19 LYS 22 HE2 -0.13 -0.01 -0.02 -0.04 2.99 2.79 2ktaA19 LYS 22 HE3 -0.10 0.01 -0.07 -0.04 2.99 2.79 2ktaA19 TYR 23 H -0.34 0.38 0.15 -0.55 8.29 7.93 2ktaA19 TYR 23 HA -0.15 0.11 0.72 -0.75 4.56 4.49 2ktaA19 TYR 23 HB2 -0.25 0.07 -0.04 -0.04 3.06 2.81 2ktaA19 TYR 23 HB3 -0.15 0.01 0.09 -0.04 2.98 2.88 2ktaA19 TYR 23 HD2 -0.70 0.05 0.00 -0.04 7.15 6.46 2ktaA19 TYR 23 HE2 -0.45 -0.05 -0.01 -0.04 6.85 6.30 2ktaA19 ARG 24 H -0.09 0.07 -0.17 -0.55 8.46 7.71 2ktaA19 ARG 24 HA -0.10 0.22 0.54 -0.75 4.34 4.24 2ktaA19 ARG 24 HB2 -0.09 0.05 -0.04 -0.04 1.90 1.78 2ktaA19 ARG 24 HB3 -0.14 -0.13 0.27 -0.04 1.80 1.76 2ktaA19 ARG 24 HG2 -0.08 -0.15 0.08 -0.04 1.67 1.48 2ktaA19 ARG 24 HG3 -0.10 0.24 0.21 -0.04 1.67 1.98 2ktaA19 ARG 24 HD2 -0.07 -0.04 0.09 -0.04 3.22 3.15 2ktaA19 ARG 24 HD3 -0.09 0.10 -0.08 -0.04 3.22 3.10 2ktaA19 ARG 25 H -0.15 0.05 0.10 -0.55 8.46 7.91 2ktaA19 ARG 25 HA -0.60 -0.10 0.34 -0.75 4.34 3.23 2ktaA19 ARG 25 HB2 -1.44 -0.16 0.09 -0.04 1.90 0.35 2ktaA19 ARG 25 HB3 -0.55 0.34 0.18 -0.04 1.80 1.73 2ktaA19 ARG 25 HG2 -0.53 0.02 -0.27 -0.04 1.67 0.84 2ktaA19 ARG 25 HG3 -1.56 -0.12 0.09 -0.04 1.67 0.04 2ktaA19 ARG 25 HD2 -1.02 0.28 0.06 -0.04 3.22 2.50 2ktaA19 ARG 25 HD3 -0.49 -0.04 -0.01 -0.04 3.22 2.63 2ktaA19 PHE 26 H -0.85 0.14 0.09 -0.55 8.34 7.16 2ktaA19 PHE 26 HA -0.01 0.29 0.78 -0.75 4.62 4.93 2ktaA19 PHE 26 HB2 0.12 -0.08 -0.14 -0.04 3.15 3.00 2ktaA19 PHE 26 HB3 0.48 0.03 -0.09 -0.04 3.06 3.44 2ktaA19 PHE 26 HD2 0.28 0.02 -0.25 -0.04 7.28 7.30 2ktaA19 PHE 26 HE2 0.14 0.01 -0.04 -0.04 7.38 7.45 2ktaA19 PHE 26 HZ 0.27 -0.03 -0.11 -0.04 7.32 7.41 2ktaA19 PRO 27 HA 0.02 0.16 0.52 -0.51 4.44 4.62 2ktaA19 PRO 27 HB2 0.02 0.01 0.04 -0.04 2.28 2.31 2ktaA19 PRO 27 HB3 -0.00 0.06 0.07 -0.04 2.02 2.11 2ktaA19 PRO 27 HG2 -0.02 0.03 0.07 -0.04 2.03 2.06 2ktaA19 PRO 27 HG3 -0.04 0.13 0.03 -0.04 2.03 2.11 2ktaA19 PRO 27 HD2 0.07 -0.01 0.11 -0.04 3.68 3.81 2ktaA19 PRO 27 HD3 0.01 0.27 0.16 -0.04 3.65 4.05 2ktaA19 LYS 28 H 0.10 0.16 -0.10 -0.55 8.42 8.03 2ktaA19 LYS 28 HA 0.12 0.14 0.59 -0.75 4.32 4.41 2ktaA19 LYS 28 HB2 0.04 0.12 -0.17 -0.04 1.87 1.83 2ktaA19 LYS 28 HB3 0.02 -0.04 0.05 -0.04 1.79 1.79 2ktaA19 LYS 28 HG2 -0.01 -0.06 -0.19 -0.04 1.46 1.16 2ktaA19 LYS 28 HG3 -0.01 0.05 -0.05 -0.04 1.46 1.41 2ktaA19 LYS 28 HD2 0.02 0.04 -0.04 -0.04 1.69 1.67 2ktaA19 LYS 28 HD3 0.01 -0.02 -0.04 -0.04 1.68 1.59 2ktaA19 LYS 28 HE2 -0.00 0.02 -0.06 -0.04 2.99 2.91 2ktaA19 LYS 28 HE3 0.01 0.00 -0.04 -0.04 2.99 2.93 2ktaA19 SER 29 H 0.02 0.23 -0.00 -0.55 8.46 8.16 2ktaA19 SER 29 HA -0.08 0.16 0.75 -0.75 4.49 4.57 2ktaA19 SER 29 HB2 -0.38 0.05 -0.12 -0.04 3.95 3.46 2ktaA19 SER 29 HB3 -0.76 0.10 -0.08 -0.04 3.93 3.14 2ktaA19 THR 30 H -0.07 0.22 0.12 -0.55 8.28 8.00 2ktaA19 THR 30 HA -0.01 0.19 0.59 -0.75 4.39 4.41 2ktaA19 THR 30 HB 0.03 -0.02 0.19 -0.04 4.32 4.48 2ktaA19 THR 30 HG23 0.12 0.04 -0.02 -0.04 1.22 1.31 2ktaA19 GLU 31 H -0.15 0.10 -0.12 -0.55 8.60 7.88 2ktaA19 GLU 31 HA -0.03 0.21 0.55 -0.75 4.29 4.26 2ktaA19 GLU 31 HB2 -0.01 0.08 0.08 -0.04 2.09 2.20 2ktaA19 GLU 31 HB3 -0.22 -0.06 0.16 -0.04 1.99 1.83 2ktaA19 GLU 31 HG2 0.12 0.08 0.02 -0.04 2.34 2.52 2ktaA19 GLU 31 HG3 -0.03 -0.10 -0.07 -0.04 2.34 2.10 2ktaA19 GLY 32 H -0.01 0.48 0.18 -0.55 8.43 8.53 2ktaA19 GLY 32 HA2 0.00 0.14 0.33 -0.51 4.01 3.97 2ktaA19 GLY 32 HA3 -0.01 0.02 0.28 -0.51 4.01 3.79 2ktaA19 ASN 33 H -0.03 0.20 0.23 -0.55 8.53 8.38 2ktaA19 ASN 33 HA 0.08 0.08 0.34 -0.75 4.76 4.51 2ktaA19 ASN 33 HB2 -0.07 0.04 0.15 -0.04 2.88 2.95 2ktaA19 ASN 33 HB3 0.04 0.01 0.06 -0.04 2.79 2.86 2ktaA19 ASN 33 HD21 0.03 0.06 0.00 -0.04 7.03 7.08 2ktaA19 ASN 33 HD22 0.06 -0.02 -0.02 -0.04 7.74 7.72 2ktaA19 LEU 34 H -0.21 0.38 0.02 -0.55 8.37 8.02 2ktaA19 LEU 34 HA -0.20 0.09 0.43 -0.75 4.35 3.91 2ktaA19 LEU 34 HB2 -0.76 0.08 0.04 -0.04 1.64 0.96 2ktaA19 LEU 34 HB3 -1.02 0.01 -0.02 -0.04 1.64 0.57 2ktaA19 LEU 34 HG -1.53 0.07 -0.03 -0.04 1.64 0.11 2ktaA19 LEU 34 HD13 -0.41 0.00 -0.08 -0.04 0.93 0.41 2ktaA19 LEU 34 HD23 -0.38 -0.02 -0.03 -0.04 0.89 0.42 2ktaA19 GLY 35 H -0.14 0.27 -1.00 -0.55 8.43 7.02 2ktaA19 GLY 35 HA2 -0.13 0.22 -0.02 -0.51 4.01 3.56 2ktaA19 GLY 35 HA3 -0.00 0.05 -0.23 -0.51 4.01 3.31 2ktaA19 GLY 36 H 0.09 0.36 -0.41 -0.55 8.43 7.92 2ktaA19 GLY 36 HA2 0.15 0.10 0.52 -0.51 4.01 4.27 2ktaA19 GLY 36 HA3 0.12 0.07 0.26 -0.51 4.01 3.95 2ktaA19 TRP 37 H 0.34 0.31 -0.20 -0.55 7.97 7.87 2ktaA19 TRP 37 HA 0.08 0.01 0.45 -0.75 4.62 4.41 2ktaA19 TRP 37 HB2 -0.04 0.02 0.20 -0.04 3.23 3.38 2ktaA19 TRP 37 HB3 0.17 0.04 -0.04 -0.04 3.23 3.35 2ktaA19 TRP 37 HD1 0.09 0.13 0.02 -0.04 7.22 7.42 2ktaA19 TRP 37 HE1 0.42 -0.06 -0.08 -0.04 10.20 10.44 2ktaA19 TRP 37 HE3 0.13 0.03 -0.07 -0.04 7.59 7.64 2ktaA19 TRP 37 HZ2 1.00 -0.02 -0.06 -0.04 7.44 8.31 2ktaA19 TRP 37 HZ3 0.09 0.03 -0.06 -0.04 7.13 7.14 2ktaA19 TRP 37 HH2 0.36 -0.00 -0.03 -0.04 7.19 7.47 2ktaA19 CYS 38 H 0.10 0.61 -0.17 -0.55 8.50 8.49 2ktaA19 CYS 38 HA 0.39 0.02 0.32 -0.75 4.58 4.56 2ktaA19 CYS 38 HB2 -0.25 -0.06 0.10 -0.04 2.97 2.72 2ktaA19 CYS 38 HB3 -0.14 0.25 0.15 -0.04 2.97 3.19 2ktaA19 HIS 39 H 0.11 0.30 -0.40 -0.55 8.41 7.88 2ktaA19 HIS 39 HA 0.05 0.06 0.39 -0.75 4.63 4.38 2ktaA19 HIS 39 HB2 0.02 0.05 0.22 -0.04 3.26 3.52 2ktaA19 HIS 39 HB3 0.01 -0.04 -0.02 -0.04 3.20 3.11 2ktaA19 HIS 39 HD2 0.02 -0.01 0.03 -0.04 6.97 6.96 2ktaA19 HIS 39 HE1 0.00 -0.07 0.01 -0.04 7.75 7.65 2ktaA19 THR 40 H 0.10 0.54 -0.11 -0.55 8.28 8.26 2ktaA19 THR 40 HA 0.02 0.09 0.42 -0.75 4.39 4.17 2ktaA19 THR 40 HB -0.12 0.00 0.20 -0.04 4.32 4.36 2ktaA19 THR 40 HG23 -0.10 -0.02 -0.06 -0.04 1.22 1.00 2ktaA19 GLN 41 H -0.02 0.57 0.11 -0.55 8.47 8.58 2ktaA19 GLN 41 HA -0.07 0.01 0.17 -0.75 4.36 3.72 2ktaA19 GLN 41 HB2 -0.08 0.20 0.14 -0.04 2.15 2.37 2ktaA19 GLN 41 HB3 -0.04 -0.02 0.03 -0.04 2.02 1.95 2ktaA19 GLN 41 HG2 -0.24 -0.02 0.02 -0.04 2.40 2.12 2ktaA19 GLN 41 HG3 -0.34 -0.03 0.01 -0.04 2.39 1.98 2ktaA19 GLN 41 HE21 -1.10 0.01 0.05 -0.04 6.97 5.89 2ktaA19 GLN 41 HE22 -3.12 -0.02 -0.00 -0.04 7.69 4.51 2ktaA19 ARG 42 H 0.10 0.32 -0.32 -0.55 8.46 8.00 2ktaA19 ARG 42 HA 0.13 0.05 0.48 -0.75 4.34 4.25 2ktaA19 ARG 42 HB2 0.18 0.02 0.15 -0.04 1.90 2.21 2ktaA19 ARG 42 HB3 0.10 0.15 0.08 -0.04 1.80 2.09 2ktaA19 ARG 42 HG2 0.13 -0.06 0.11 -0.04 1.67 1.81 2ktaA19 ARG 42 HG3 0.14 0.03 0.05 -0.04 1.67 1.85 2ktaA19 ARG 42 HD2 0.08 -0.02 -0.42 -0.04 3.22 2.82 2ktaA19 ARG 42 HD3 0.09 -0.03 -0.03 -0.04 3.22 3.21 2ktaA19 LYS 43 H 0.05 0.32 -0.33 -0.55 8.42 7.90 2ktaA19 LYS 43 HA 0.04 0.10 0.54 -0.75 4.32 4.25 2ktaA19 LYS 43 HB2 0.05 0.07 0.12 -0.04 1.87 2.06 2ktaA19 LYS 43 HB3 0.02 0.21 0.21 -0.04 1.79 2.19 2ktaA19 LYS 43 HG2 0.01 -0.07 -0.20 -0.04 1.46 1.16 2ktaA19 LYS 43 HG3 0.03 -0.01 0.03 -0.04 1.46 1.47 2ktaA19 LYS 43 HD2 0.00 -0.00 -0.02 -0.04 1.69 1.63 2ktaA19 LYS 43 HD3 0.01 -0.03 -0.03 -0.04 1.68 1.59 2ktaA19 LYS 43 HE2 0.03 0.14 0.09 -0.04 2.99 3.22 2ktaA19 LYS 43 HE3 0.01 -0.04 0.03 -0.04 2.99 2.94 2ktaA19 MET 44 H 0.00 0.36 -0.04 -0.55 8.47 8.25 2ktaA19 MET 44 HA -0.01 0.07 0.27 -0.75 4.52 4.09 2ktaA19 MET 44 HB2 -0.04 0.06 -0.02 -0.04 2.15 2.11 2ktaA19 MET 44 HB3 -0.05 -0.02 -0.18 -0.04 2.03 1.74 2ktaA19 MET 44 HG2 -0.04 0.28 -0.02 -0.04 2.63 2.81 2ktaA19 MET 44 HG3 -0.08 -0.03 -0.10 -0.04 2.56 2.31 2ktaA19 MET 44 HE3 -0.03 0.05 0.03 -0.04 2.10 2.11 2ktaA19 ARG 45 H 0.03 0.41 -0.53 -0.55 8.46 7.82 2ktaA19 ARG 45 HA -0.00 -0.03 0.48 -0.75 4.34 4.03 2ktaA19 ARG 45 HB2 0.08 0.07 0.11 -0.04 1.90 2.12 2ktaA19 ARG 45 HB3 0.08 0.15 0.10 -0.04 1.80 2.08 2ktaA19 ARG 45 HG2 0.02 0.01 -0.14 -0.04 1.67 1.52 2ktaA19 ARG 45 HG3 -0.01 -0.06 0.02 -0.04 1.67 1.57 2ktaA19 ARG 45 HD2 0.25 -0.01 -0.01 -0.04 3.22 3.41 2ktaA19 ARG 45 HD3 0.15 0.04 -0.02 -0.04 3.22 3.35 2ktaA19 LYS 46 H 0.04 0.33 -0.14 -0.55 8.42 8.09 2ktaA19 LYS 46 HA 0.02 0.06 0.43 -0.75 4.32 4.08 2ktaA19 LYS 46 HB2 0.05 0.05 0.19 -0.04 1.87 2.11 2ktaA19 LYS 46 HB3 0.03 0.08 0.13 -0.04 1.79 1.99 2ktaA19 LYS 46 HG2 0.03 -0.02 0.09 -0.04 1.46 1.53 2ktaA19 LYS 46 HG3 0.04 -0.02 0.05 -0.04 1.46 1.48 2ktaA19 LYS 46 HD2 0.02 0.03 -0.12 -0.04 1.69 1.57 2ktaA19 LYS 46 HD3 0.02 -0.03 -0.00 -0.04 1.68 1.62 2ktaA19 LYS 46 HE2 0.02 0.07 -0.13 -0.04 2.99 2.91 2ktaA19 LYS 46 HE3 0.02 -0.03 -0.10 -0.04 2.99 2.84 2ktaA19 GLN 47 H 0.01 0.39 -0.29 -0.55 8.47 8.03 2ktaA19 GLN 47 HA 0.00 0.11 0.50 -0.75 4.36 4.21 2ktaA19 GLN 47 HB2 -0.01 -0.05 0.02 -0.04 2.15 2.07 2ktaA19 GLN 47 HB3 -0.01 -0.02 0.08 -0.04 2.02 2.03 2ktaA19 GLN 47 HG2 0.00 -0.00 -0.03 -0.04 2.40 2.33 2ktaA19 GLN 47 HG3 0.01 0.11 -0.02 -0.04 2.39 2.45 2ktaA19 GLN 47 HE21 0.00 -0.03 -0.03 -0.04 6.97 6.87 2ktaA19 GLN 47 HE22 0.01 0.01 -0.03 -0.04 7.69 7.64 2ktaA19 GLY 48 H -0.01 0.27 -0.77 -0.55 8.43 7.37 2ktaA19 GLY 48 HA2 -0.03 0.03 0.34 -0.51 4.01 3.85 2ktaA19 GLY 48 HA3 -0.02 0.02 0.32 -0.51 4.01 3.82 2ktaA19 LYS 49 H -0.02 0.57 -0.09 -0.55 8.42 8.32 2ktaA19 LYS 49 HA -0.03 0.22 0.90 -0.75 4.32 4.65 2ktaA19 LYS 49 HB2 -0.04 -0.08 0.09 -0.04 1.87 1.81 2ktaA19 LYS 49 HB3 -0.03 0.09 -0.07 -0.04 1.79 1.75 2ktaA19 LYS 49 HG2 -0.02 0.04 -0.13 -0.04 1.46 1.30 2ktaA19 LYS 49 HG3 -0.04 -0.10 -0.13 -0.04 1.46 1.16 2ktaA19 LYS 49 HD2 -0.02 0.05 -0.04 -0.04 1.69 1.63 2ktaA19 LYS 49 HD3 -0.02 -0.03 -0.06 -0.04 1.68 1.52 2ktaA19 LYS 49 HE2 -0.05 -0.06 -0.07 -0.04 2.99 2.78 2ktaA19 LYS 49 HE3 -0.04 0.01 -0.02 -0.04 2.99 2.90 2ktaA19 LEU 50 H -0.03 0.18 -0.08 -0.55 8.37 7.89 2ktaA19 LEU 50 HA -0.06 0.05 0.46 -0.75 4.35 4.05 2ktaA19 LEU 50 HB2 -0.03 0.04 -0.08 -0.04 1.64 1.53 2ktaA19 LEU 50 HB3 -0.03 0.00 -0.24 -0.04 1.64 1.32 2ktaA19 LEU 50 HG -0.02 -0.08 -0.19 -0.04 1.64 1.31 2ktaA19 LEU 50 HD13 0.04 0.00 -0.05 -0.04 0.93 0.88 2ktaA19 LEU 50 HD23 -0.07 -0.01 0.03 -0.04 0.89 0.80 2ktaA19 PRO 51 HA -0.04 0.13 0.59 -0.51 4.44 4.61 2ktaA19 PRO 51 HB2 -0.02 -0.23 0.14 -0.04 2.28 2.13 2ktaA19 PRO 51 HB3 -0.04 0.08 0.12 -0.04 2.02 2.14 2ktaA19 PRO 51 HG2 -0.12 0.01 0.10 -0.04 2.03 1.98 2ktaA19 PRO 51 HG3 -0.10 0.14 0.10 -0.04 2.03 2.13 2ktaA19 PRO 51 HD2 -0.09 0.03 0.20 -0.04 3.68 3.79 2ktaA19 PRO 51 HD3 -0.10 0.26 0.23 -0.04 3.65 4.01 2ktaA19 ASN 52 H -0.03 0.28 0.18 -0.55 8.53 8.42 2ktaA19 ASN 52 HA -0.04 0.12 0.34 -0.75 4.76 4.43 2ktaA19 ASN 52 HB2 -0.03 0.12 0.13 -0.04 2.88 3.05 2ktaA19 ASN 52 HB3 -0.01 -0.03 0.06 -0.04 2.79 2.77 2ktaA19 ASN 52 HD21 -0.06 0.05 0.02 -0.04 7.03 7.01 2ktaA19 ASN 52 HD22 -0.06 0.03 -0.00 -0.04 7.74 7.67 2ktaA19 ASP 53 H 0.01 0.08 -0.27 -0.55 8.40 7.68 2ktaA19 ASP 53 HA 0.05 0.11 0.38 -0.75 4.63 4.42 2ktaA19 ASP 53 HB2 0.04 -0.03 0.01 -0.04 2.71 2.70 2ktaA19 ASP 53 HB3 0.07 0.05 0.00 -0.04 2.70 2.78 2ktaA19 ARG 54 H 0.06 0.19 -0.36 -0.55 8.46 7.80 2ktaA19 ARG 54 HA 0.25 0.03 0.39 -0.75 4.34 4.25 2ktaA19 ARG 54 HB2 0.07 0.25 0.14 -0.04 1.90 2.32 2ktaA19 ARG 54 HB3 0.22 -0.00 -0.02 -0.04 1.80 1.96 2ktaA19 ARG 54 HG2 0.03 -0.08 0.06 -0.04 1.67 1.64 2ktaA19 ARG 54 HG3 -0.05 0.03 0.05 -0.04 1.67 1.66 2ktaA19 ARG 54 HD2 0.44 0.01 -0.00 -0.04 3.22 3.63 2ktaA19 ARG 54 HD3 0.33 -0.02 -0.02 -0.04 3.22 3.46 2ktaA19 ARG 55 H 0.07 0.38 -0.16 -0.55 8.46 8.20 2ktaA19 ARG 55 HA 0.30 0.03 0.30 -0.75 4.34 4.22 2ktaA19 ARG 55 HB2 -0.13 -0.00 0.04 -0.04 1.90 1.77 2ktaA19 ARG 55 HB3 -0.10 0.13 0.08 -0.04 1.80 1.86 2ktaA19 ARG 55 HG2 -1.28 -0.01 0.03 -0.04 1.67 0.37 2ktaA19 ARG 55 HG3 -0.58 0.02 -0.02 -0.04 1.67 1.05 2ktaA19 ARG 55 HD2 -0.28 0.00 -0.11 -0.04 3.22 2.79 2ktaA19 ARG 55 HD3 -0.21 -0.01 -0.41 -0.04 3.22 2.55 2ktaA19 LEU 56 H 0.09 0.38 -0.42 -0.55 8.37 7.87 2ktaA19 LEU 56 HA 0.13 0.07 0.46 -0.75 4.35 4.26 2ktaA19 LEU 56 HB2 0.05 0.05 0.10 -0.04 1.64 1.80 2ktaA19 LEU 56 HB3 0.10 0.08 0.16 -0.04 1.64 1.94 2ktaA19 LEU 56 HG 0.07 0.00 0.02 -0.04 1.64 1.69 2ktaA19 LEU 56 HD13 0.04 -0.01 -0.02 -0.04 0.93 0.90 2ktaA19 LEU 56 HD23 0.09 -0.01 -0.19 -0.04 0.89 0.74 2ktaA19 LEU 57 H 0.18 0.61 0.05 -0.55 8.37 8.66 2ktaA19 LEU 57 HA 0.18 0.03 0.39 -0.75 4.35 4.18 2ktaA19 LEU 57 HB2 0.28 0.07 0.19 -0.04 1.64 2.14 2ktaA19 LEU 57 HB3 0.33 -0.03 -0.02 -0.04 1.64 1.87 2ktaA19 LEU 57 HG 0.21 -0.01 0.04 -0.04 1.64 1.84 2ktaA19 LEU 57 HD13 0.13 0.02 0.02 -0.04 0.93 1.06 2ktaA19 LEU 57 HD23 0.25 -0.02 -0.03 -0.04 0.89 1.04 2ktaA19 LEU 58 H 0.29 0.78 -0.15 -0.55 8.37 8.75 2ktaA19 LEU 58 HA 0.12 -0.01 0.40 -0.75 4.35 4.11 2ktaA19 LEU 58 HB2 0.46 0.14 0.08 -0.04 1.64 2.27 2ktaA19 LEU 58 HB3 -0.05 0.02 -0.06 -0.04 1.64 1.51 2ktaA19 LEU 58 HG 0.06 -0.02 -0.08 -0.04 1.64 1.56 2ktaA19 LEU 58 HD13 -0.24 -0.02 -0.02 -0.04 0.93 0.61 2ktaA19 LEU 58 HD23 0.44 0.01 -0.06 -0.04 0.89 1.24 2ktaA19 ASP 59 H 0.42 0.41 -0.29 -0.55 8.40 8.39 2ktaA19 ASP 59 HA 0.27 0.13 0.46 -0.75 4.63 4.73 2ktaA19 ASP 59 HB2 0.86 0.03 0.16 -0.04 2.71 3.72 2ktaA19 ASP 59 HB3 0.31 0.14 0.20 -0.04 2.70 3.31 2ktaA19 LYS 60 H 0.18 0.38 -0.25 -0.55 8.42 8.17 2ktaA19 LYS 60 HA 0.09 0.03 0.36 -0.75 4.32 4.05 2ktaA19 LYS 60 HB2 0.10 -0.03 0.08 -0.04 1.87 1.98 2ktaA19 LYS 60 HB3 0.12 0.13 0.20 -0.04 1.79 2.19 2ktaA19 LYS 60 HG2 0.06 0.00 -0.00 -0.04 1.46 1.48 2ktaA19 LYS 60 HG3 0.08 -0.07 -0.01 -0.04 1.46 1.42 2ktaA19 LYS 60 HD2 0.05 0.13 -0.46 -0.04 1.69 1.37 2ktaA19 LYS 60 HD3 0.05 -0.04 -0.13 -0.04 1.68 1.51 2ktaA19 LYS 60 HE2 0.13 0.01 0.05 -0.04 2.99 3.14 2ktaA19 LYS 60 HE3 0.10 -0.04 -0.03 -0.04 2.99 2.99 2ktaA19 ILE 61 H 0.08 0.39 -0.17 -0.55 8.25 8.00 2ktaA19 ILE 61 HA 0.00 0.07 0.47 -0.75 4.18 3.97 2ktaA19 ILE 61 HB -0.05 -0.01 0.05 -0.04 1.89 1.85 2ktaA19 ILE 61 HG12 0.06 0.27 0.21 -0.04 1.49 1.99 2ktaA19 ILE 61 HG13 0.03 0.05 -0.05 -0.04 1.21 1.20 2ktaA19 ILE 61 HG23 -0.07 -0.02 0.01 -0.04 0.93 0.81 2ktaA19 ILE 61 HD13 -0.09 -0.05 -0.12 -0.04 0.88 0.58 2ktaA19 GLY 62 H 0.04 0.17 -0.44 -0.55 8.43 7.66 2ktaA19 GLY 62 HA2 -0.01 0.07 0.13 -0.51 4.01 3.69 2ktaA19 GLY 62 HA3 -0.04 0.21 0.82 -0.51 4.01 4.50 2ktaA19 PHE 63 H 0.03 0.53 0.16 -0.55 8.34 8.51 2ktaA19 PHE 63 HA -0.33 0.03 0.74 -0.75 4.62 4.30 2ktaA19 PHE 63 HB2 -0.28 -0.02 0.04 -0.04 3.15 2.85 2ktaA19 PHE 63 HB3 -0.66 -0.06 -0.12 -0.04 3.06 2.18 2ktaA19 PHE 63 HD2 -1.29 -0.03 -0.20 -0.04 7.28 5.72 2ktaA19 PHE 63 HE2 -0.88 -0.04 -0.04 -0.04 7.38 6.38 2ktaA19 PHE 63 HZ -0.49 0.04 -0.01 -0.04 7.32 6.82 2ktaA19 VAL 64 H -0.58 0.24 0.04 -0.55 8.24 7.39 2ktaA19 VAL 64 HA -0.24 0.05 0.46 -0.75 4.13 3.64 2ktaA19 VAL 64 HB -0.19 0.12 0.05 -0.04 2.12 2.05 2ktaA19 VAL 64 HG13 -0.32 0.03 0.01 -0.04 0.97 0.65 2ktaA19 VAL 64 HG23 -0.06 -0.08 0.00 -0.04 0.95 0.77 2ktaA19 TRP 65 H 0.10 0.14 0.14 -0.55 7.97 7.80 2ktaA19 TRP 65 HA 0.10 0.21 0.52 -0.75 4.62 4.69 2ktaA19 TRP 65 HB2 0.06 -0.02 0.05 -0.04 3.23 3.28 2ktaA19 TRP 65 HB3 0.08 -0.02 0.11 -0.04 3.23 3.37 2ktaA19 TRP 65 HD1 0.08 -0.04 0.04 -0.04 7.22 7.26 2ktaA19 TRP 65 HE1 0.11 -0.04 0.05 -0.04 10.20 10.28 2ktaA19 TRP 65 HE3 0.20 0.01 -0.05 -0.04 7.59 7.70 2ktaA19 TRP 65 HZ2 0.06 0.09 0.07 -0.04 7.44 7.61 2ktaA19 TRP 65 HZ3 0.02 -0.03 -0.07 -0.04 7.13 7.01 2ktaA19 TRP 65 HH2 -0.13 -0.09 -0.07 -0.04 7.19 6.86 2ktaA19 SER 66 H 0.05 0.01 -0.31 -0.55 8.46 7.67 2ktaA19 SER 66 HA 0.11 0.01 0.40 -0.75 4.49 4.25 2ktaA19 SER 66 HB2 0.01 0.04 0.08 -0.04 3.95 4.03 2ktaA19 SER 66 HB3 0.07 0.02 -0.00 -0.04 3.93 3.98 2ktaA19 LEU 67 H 0.10 0.20 0.30 -0.55 8.37 8.42 2ktaA19 LEU 67 HA 0.07 0.15 0.72 -0.75 4.35 4.54 2ktaA19 LEU 67 HB2 0.11 0.05 0.06 -0.04 1.64 1.82 2ktaA19 LEU 67 HB3 0.09 -0.10 0.14 -0.04 1.64 1.72 2ktaA19 LEU 67 HG 0.15 0.11 -0.46 -0.04 1.64 1.40 2ktaA19 LEU 67 HD13 0.16 -0.01 -0.02 -0.04 0.93 1.03 2ktaA19 LEU 67 HD23 0.08 0.01 0.08 -0.04 0.89 1.02 2ktaA19 GLU 68 H 0.06 0.18 0.13 -0.55 8.60 8.43 2ktaA19 GLU 68 HA 0.04 0.04 0.28 -0.75 4.29 3.89 2ktaA19 GLU 68 HB2 0.04 0.20 -0.06 -0.04 2.09 2.23 2ktaA19 GLU 68 HB3 0.04 -0.02 0.14 -0.04 1.99 2.12 2ktaA19 GLU 68 HG2 0.06 0.01 0.00 -0.04 2.34 2.37 2ktaA19 GLU 68 HG3 0.06 -0.08 -0.26 -0.04 2.34 2.02 2ktaA19 HIS 69 H 0.06 -0.01 -0.46 -0.55 8.41 7.46 2ktaA19 HIS 69 HA -0.08 0.04 0.35 -0.75 4.63 4.18 2ktaA19 HIS 69 HB2 -0.08 0.02 -0.08 -0.04 3.26 3.08 2ktaA19 HIS 69 HB3 -0.31 -0.03 0.01 -0.04 3.20 2.83 2ktaA19 HIS 69 HD2 -0.32 0.06 -0.41 -0.04 6.97 6.24 2ktaA19 HIS 69 HE1 -0.01 -0.01 -0.03 -0.04 7.75 7.65 2ktaA19 HIS 70 H -0.21 0.11 0.20 -0.55 8.41 7.96 2ktaA19 HIS 70 HA -0.18 -0.02 0.22 -0.75 4.63 3.91 2ktaA19 HIS 70 HB2 -0.13 0.03 0.15 -0.04 3.26 3.26 2ktaA19 HIS 70 HB3 -0.20 -0.02 0.18 -0.04 3.20 3.12 2ktaA19 HIS 70 HD2 0.04 -0.01 -0.07 -0.04 6.97 6.88 2ktaA19 HIS 70 HE1 -0.08 -0.02 -0.05 -0.04 7.75 7.56 2ktaA19 HIS 71 H -0.31 0.12 0.18 -0.55 8.41 7.85 2ktaA19 HIS 71 HA -0.19 0.19 0.94 -0.75 4.63 4.81 2ktaA19 HIS 71 HB2 -0.10 -0.08 0.26 -0.04 3.26 3.31 2ktaA19 HIS 71 HB3 -0.03 -0.02 0.08 -0.04 3.20 3.19 2ktaA19 HIS 71 HD2 0.04 0.01 -0.03 -0.04 6.97 6.94 2ktaA19 HIS 71 HE1 -0.01 -0.05 -0.01 -0.04 7.75 7.64 2ktaA19 HIS 72 H -0.05 0.23 0.22 -0.55 8.41 8.26 2ktaA19 HIS 72 HA -0.26 0.14 0.51 -0.75 4.63 4.26 2ktaA19 HIS 72 HB2 -0.03 -0.04 -0.06 -0.04 3.26 3.08 2ktaA19 HIS 72 HB3 -0.01 0.05 0.13 -0.04 3.20 3.33 2ktaA19 HIS 72 HD2 -0.02 -0.07 -0.18 -0.04 6.97 6.67 2ktaA19 HIS 72 HE1 0.03 -0.04 0.03 -0.04 7.75 7.73 2ktaA19 HIS 73 H 0.18 0.20 0.18 -0.55 8.41 8.43 2ktaA19 HIS 73 HA 0.03 0.21 0.88 -0.75 4.63 5.00 2ktaA19 HIS 73 HB2 0.02 0.00 0.02 -0.04 3.26 3.27 2ktaA19 HIS 73 HB3 -0.06 -0.01 0.09 -0.04 3.20 3.18 2ktaA19 HIS 73 HD2 0.08 0.00 -0.10 -0.04 6.97 6.91 2ktaA19 HIS 73 HE1 0.04 0.02 -0.04 -0.04 7.75 7.73 2ktaA19 HIS 74 H -0.21 0.21 0.05 -0.55 8.41 7.91 2ktaA19 HIS 74 HA 0.06 0.29 0.84 -0.75 4.63 5.06 2ktaA19 HIS 74 HB2 0.03 0.03 0.06 -0.04 3.26 3.34 2ktaA19 HIS 74 HB3 0.03 0.04 -0.09 -0.04 3.20 3.15 2ktaA19 HIS 74 HD2 0.05 0.01 -0.05 -0.04 6.97 6.94 2ktaA19 HIS 74 HE1 0.04 0.01 0.02 -0.04 7.75 7.78