============================================================================= 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 -8.154 2.709 1.726 -99.200 -91.000 TRP6 9 1.020 -5.993 1.770 1.591 -99.200 -91.000 TYR 13 0.840 -5.616 -2.086 4.501 -99.200 -91.000 PHE 19 1.000 0.038 -10.646 -3.505 -99.200 -91.000 TYR 23 0.840 2.556 -14.826 -2.511 -99.200 -91.000 PHE 26 1.000 2.489 -5.576 -3.745 -99.200 -91.000 TRP 37 1.040 -2.898 0.415 -4.370 -99.200 -91.000 TRP6 37 1.020 -1.820 0.334 -2.276 -99.200 -91.000 HIS 39 0.900 5.592 -1.623 -10.197 -99.200 -91.000 PHE 63 1.000 4.544 -2.221 1.046 -99.200 -91.000 TRP 65 1.040 6.052 2.147 4.656 -99.200 -91.000 TRP6 65 1.020 4.992 2.893 2.685 -99.200 -91.000 HIS 69 0.900 13.056 5.964 4.944 -99.200 -91.000 HIS 70 0.900 17.704 9.046 0.563 -99.200 -91.000 HIS 71 0.900 15.213 11.320 8.194 -99.200 -91.000 HIS 72 0.900 17.226 16.392 0.204 -99.200 -91.000 HIS 73 0.900 13.669 18.426 6.085 -99.200 -91.000 HIS 74 0.900 14.600 23.768 -0.225 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ktaA15 MET 1 HA 0.01 -0.09 0.20 -0.75 4.52 3.89 2ktaA15 MET 1 HB2 0.00 -0.02 -0.06 -0.04 2.15 2.03 2ktaA15 MET 1 HB3 -0.02 0.03 0.03 -0.04 2.03 2.03 2ktaA15 MET 1 HG2 0.01 -0.06 -0.11 -0.04 2.63 2.43 2ktaA15 MET 1 HG3 -0.00 0.02 -0.04 -0.04 2.56 2.50 2ktaA15 MET 1 HE3 -0.00 0.00 0.01 -0.04 2.10 2.07 2ktaA15 ASN 2 H 0.05 0.18 0.07 -0.55 8.53 8.29 2ktaA15 ASN 2 HA 0.05 0.16 0.94 -0.75 4.76 5.16 2ktaA15 ASN 2 HB2 0.12 -0.02 0.16 -0.04 2.88 3.09 2ktaA15 ASN 2 HB3 0.08 -0.11 0.10 -0.04 2.79 2.82 2ktaA15 ASN 2 HD21 0.19 -0.09 -0.05 -0.04 7.03 7.04 2ktaA15 ASN 2 HD22 0.19 0.03 -0.06 -0.04 7.74 7.86 2ktaA15 GLN 3 H 0.03 0.23 0.07 -0.55 8.47 8.26 2ktaA15 GLN 3 HA 0.03 0.26 0.86 -0.75 4.36 4.76 2ktaA15 GLN 3 HB2 0.02 0.03 0.01 -0.04 2.15 2.17 2ktaA15 GLN 3 HB3 0.02 0.03 0.14 -0.04 2.02 2.17 2ktaA15 GLN 3 HG2 0.02 0.06 -0.12 -0.04 2.40 2.32 2ktaA15 GLN 3 HG3 0.02 -0.04 -0.28 -0.04 2.39 2.04 2ktaA15 GLN 3 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.93 2ktaA15 GLN 3 HE22 0.01 0.02 -0.01 -0.04 7.69 7.66 2ktaA15 ASN 4 H 0.04 0.01 -0.02 -0.55 8.53 8.01 2ktaA15 ASN 4 HA 0.02 0.25 0.87 -0.75 4.76 5.15 2ktaA15 ASN 4 HB2 0.03 -0.03 0.04 -0.04 2.88 2.88 2ktaA15 ASN 4 HB3 0.02 0.04 0.08 -0.04 2.79 2.90 2ktaA15 ASN 4 HD21 0.03 -0.08 0.06 -0.04 7.03 7.00 2ktaA15 ASN 4 HD22 0.02 0.08 -0.02 -0.04 7.74 7.78 2ktaA15 LEU 5 H 0.04 0.04 -0.17 -0.55 8.37 7.74 2ktaA15 LEU 5 HA 0.03 0.18 0.68 -0.75 4.35 4.49 2ktaA15 LEU 5 HB2 0.06 -0.04 0.03 -0.04 1.64 1.65 2ktaA15 LEU 5 HB3 0.04 -0.06 -0.09 -0.04 1.64 1.49 2ktaA15 LEU 5 HG 0.03 -0.03 -0.40 -0.04 1.64 1.20 2ktaA15 LEU 5 HD13 0.03 0.00 -0.05 -0.04 0.93 0.87 2ktaA15 LEU 5 HD23 0.02 0.06 0.04 -0.04 0.89 0.96 2ktaA15 GLN 6 H 0.04 0.20 0.04 -0.55 8.47 8.20 2ktaA15 GLN 6 HA 0.05 0.22 0.51 -0.75 4.36 4.39 2ktaA15 GLN 6 HB2 0.03 0.06 0.08 -0.04 2.15 2.28 2ktaA15 GLN 6 HB3 0.04 -0.03 0.11 -0.04 2.02 2.10 2ktaA15 GLN 6 HG2 0.04 0.04 0.08 -0.04 2.40 2.52 2ktaA15 GLN 6 HG3 0.03 0.05 0.02 -0.04 2.39 2.44 2ktaA15 GLN 6 HE21 0.03 0.03 -0.00 -0.04 6.97 6.99 2ktaA15 GLN 6 HE22 0.04 0.00 -0.02 -0.04 7.69 7.67 2ktaA15 GLY 7 H 0.05 0.12 -0.03 -0.55 8.43 8.02 2ktaA15 GLY 7 HA2 0.11 0.20 0.63 -0.51 4.01 4.44 2ktaA15 GLY 7 HA3 0.05 0.09 0.34 -0.51 4.01 3.98 2ktaA15 GLU 8 H 0.11 0.44 -0.81 -0.55 8.60 7.80 2ktaA15 GLU 8 HA 0.05 0.08 0.37 -0.75 4.29 4.04 2ktaA15 GLU 8 HB2 0.09 0.09 -0.01 -0.04 2.09 2.22 2ktaA15 GLU 8 HB3 0.17 0.07 0.02 -0.04 1.99 2.21 2ktaA15 GLU 8 HG2 0.06 -0.01 0.02 -0.04 2.34 2.36 2ktaA15 GLU 8 HG3 0.10 0.04 -0.01 -0.04 2.34 2.43 2ktaA15 TRP 9 H 0.31 0.22 -0.11 -0.55 7.97 7.85 2ktaA15 TRP 9 HA 0.11 0.09 0.32 -0.75 4.62 4.38 2ktaA15 TRP 9 HB2 0.10 0.08 0.10 -0.04 3.23 3.47 2ktaA15 TRP 9 HB3 0.05 -0.02 0.12 -0.04 3.23 3.34 2ktaA15 TRP 9 HD1 0.01 0.01 -0.04 -0.04 7.22 7.16 2ktaA15 TRP 9 HE1 -0.10 0.03 -0.07 -0.04 10.20 10.01 2ktaA15 TRP 9 HE3 0.27 -0.03 0.02 -0.04 7.59 7.82 2ktaA15 TRP 9 HZ2 -0.45 0.03 -0.06 -0.04 7.44 6.92 2ktaA15 TRP 9 HZ3 0.46 0.04 -0.06 -0.04 7.13 7.53 2ktaA15 TRP 9 HH2 -0.04 0.10 -0.04 -0.04 7.19 7.16 2ktaA15 MET 10 H 0.04 0.12 -0.21 -0.55 8.47 7.87 2ktaA15 MET 10 HA -0.53 0.07 0.35 -0.75 4.52 3.65 2ktaA15 MET 10 HB2 -0.07 -0.01 0.09 -0.04 2.15 2.12 2ktaA15 MET 10 HB3 -0.05 0.10 0.05 -0.04 2.03 2.08 2ktaA15 MET 10 HG2 -0.09 0.02 -0.12 -0.04 2.63 2.39 2ktaA15 MET 10 HG3 -0.11 0.00 0.06 -0.04 2.56 2.47 2ktaA15 MET 10 HE3 0.02 -0.00 0.01 -0.04 2.10 2.08 2ktaA15 LYS 11 H -0.07 0.24 -0.49 -0.55 8.42 7.54 2ktaA15 LYS 11 HA -0.11 0.07 0.42 -0.75 4.32 3.95 2ktaA15 LYS 11 HB2 -0.04 0.04 0.10 -0.04 1.87 1.93 2ktaA15 LYS 11 HB3 -0.04 0.06 0.22 -0.04 1.79 1.99 2ktaA15 LYS 11 HG2 -0.08 -0.00 0.01 -0.04 1.46 1.35 2ktaA15 LYS 11 HG3 -0.04 -0.01 -0.01 -0.04 1.46 1.37 2ktaA15 LYS 11 HD2 -0.10 0.03 -0.46 -0.04 1.69 1.12 2ktaA15 LYS 11 HD3 -0.07 -0.01 -0.09 -0.04 1.68 1.48 2ktaA15 LYS 11 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 2ktaA15 LYS 11 HE3 -0.02 0.02 0.05 -0.04 2.99 3.01 2ktaA15 ASN 12 H -0.11 0.77 0.12 -0.55 8.53 8.76 2ktaA15 ASN 12 HA -0.25 0.02 0.43 -0.75 4.76 4.21 2ktaA15 ASN 12 HB2 -0.49 -0.05 0.03 -0.04 2.88 2.33 2ktaA15 ASN 12 HB3 -0.16 -0.02 0.08 -0.04 2.79 2.65 2ktaA15 ASN 12 HD21 -0.00 -0.01 -0.08 -0.04 7.03 6.90 2ktaA15 ASN 12 HD22 -0.92 -0.05 -0.40 -0.04 7.74 6.33 2ktaA15 TYR 13 H -0.39 0.62 -0.23 -0.55 8.29 7.74 2ktaA15 TYR 13 HA -0.59 0.02 0.39 -0.75 4.56 3.62 2ktaA15 TYR 13 HB2 -1.98 0.02 0.05 -0.04 3.06 1.12 2ktaA15 TYR 13 HB3 -0.90 0.05 0.10 -0.04 2.98 2.19 2ktaA15 TYR 13 HD2 -0.37 -0.01 -0.04 -0.04 7.15 6.68 2ktaA15 TYR 13 HE2 0.00 0.04 -0.12 -0.04 6.85 6.74 2ktaA15 GLU 14 H -0.29 0.51 -0.15 -0.55 8.60 8.11 2ktaA15 GLU 14 HA -0.37 0.03 0.42 -0.75 4.29 3.61 2ktaA15 GLU 14 HB2 -0.18 0.18 0.22 -0.04 2.09 2.28 2ktaA15 GLU 14 HB3 -0.16 -0.03 0.02 -0.04 1.99 1.78 2ktaA15 GLU 14 HG2 -0.16 0.03 0.11 -0.04 2.34 2.28 2ktaA15 GLU 14 HG3 -0.12 -0.03 0.05 -0.04 2.34 2.20 2ktaA15 GLU 15 H -0.25 0.32 -0.37 -0.55 8.60 7.76 2ktaA15 GLU 15 HA -0.14 0.08 0.58 -0.75 4.29 4.06 2ktaA15 GLU 15 HB2 -0.25 0.09 0.15 -0.04 2.09 2.03 2ktaA15 GLU 15 HB3 -0.17 -0.05 0.05 -0.04 1.99 1.78 2ktaA15 GLU 15 HG2 -0.16 0.30 0.10 -0.04 2.34 2.54 2ktaA15 GLU 15 HG3 -0.14 -0.09 0.01 -0.04 2.34 2.07 2ktaA15 LEU 16 H -0.34 0.62 -0.04 -0.55 8.37 8.06 2ktaA15 LEU 16 HA -0.26 -0.03 0.37 -0.75 4.35 3.68 2ktaA15 LEU 16 HB2 -0.51 0.03 0.10 -0.04 1.64 1.21 2ktaA15 LEU 16 HB3 -0.34 0.09 0.18 -0.04 1.64 1.53 2ktaA15 LEU 16 HG -0.08 0.01 -0.15 -0.04 1.64 1.38 2ktaA15 LEU 16 HD13 -0.19 -0.02 0.01 -0.04 0.93 0.68 2ktaA15 LEU 16 HD23 -0.35 -0.00 -0.06 -0.04 0.89 0.43 2ktaA15 LYS 17 H -0.41 0.74 -0.09 -0.55 8.42 8.11 2ktaA15 LYS 17 HA -0.18 0.04 0.42 -0.75 4.32 3.85 2ktaA15 LYS 17 HB2 -0.28 0.06 0.14 -0.04 1.87 1.75 2ktaA15 LYS 17 HB3 -0.22 0.01 0.01 -0.04 1.79 1.55 2ktaA15 LYS 17 HG2 -0.70 -0.02 0.03 -0.04 1.46 0.72 2ktaA15 LYS 17 HG3 -1.06 0.36 0.07 -0.04 1.46 0.78 2ktaA15 LYS 17 HD2 -0.75 -0.07 -0.09 -0.04 1.69 0.74 2ktaA15 LYS 17 HD3 -0.42 -0.01 0.04 -0.04 1.68 1.24 2ktaA15 LYS 17 HE2 -0.19 0.02 0.00 -0.04 2.99 2.78 2ktaA15 LYS 17 HE3 -0.18 0.01 -0.01 -0.04 2.99 2.76 2ktaA15 SER 18 H -0.14 0.33 -0.18 -0.55 8.46 7.92 2ktaA15 SER 18 HA -0.06 0.06 0.41 -0.75 4.49 4.15 2ktaA15 SER 18 HB2 -0.04 0.10 0.14 -0.04 3.95 4.11 2ktaA15 SER 18 HB3 -0.05 -0.03 0.07 -0.04 3.93 3.89 2ktaA15 PHE 19 H 0.06 0.45 -0.25 -0.55 8.34 8.04 2ktaA15 PHE 19 HA 0.05 0.02 0.42 -0.75 4.62 4.35 2ktaA15 PHE 19 HB2 -0.17 0.14 0.10 -0.04 3.15 3.18 2ktaA15 PHE 19 HB3 -0.20 0.04 0.09 -0.04 3.06 2.95 2ktaA15 PHE 19 HD2 -0.15 0.02 -0.14 -0.04 7.28 6.97 2ktaA15 PHE 19 HE2 -0.11 -0.02 -0.06 -0.04 7.38 7.16 2ktaA15 PHE 19 HZ -0.30 -0.05 -0.03 -0.04 7.32 6.89 2ktaA15 VAL 20 H 0.12 0.83 -0.02 -0.55 8.24 8.63 2ktaA15 VAL 20 HA 0.23 -0.10 0.42 -0.75 4.13 3.93 2ktaA15 VAL 20 HB 0.11 0.17 0.10 -0.04 2.12 2.45 2ktaA15 VAL 20 HG13 0.18 -0.02 -0.30 -0.04 0.97 0.79 2ktaA15 VAL 20 HG23 0.35 -0.04 0.00 -0.04 0.95 1.23 2ktaA15 ARG 21 H 0.01 0.48 -0.20 -0.55 8.46 8.20 2ktaA15 ARG 21 HA -0.00 0.12 0.54 -0.75 4.34 4.25 2ktaA15 ARG 21 HB2 -0.02 0.05 0.14 -0.04 1.90 2.02 2ktaA15 ARG 21 HB3 -0.05 -0.01 0.16 -0.04 1.80 1.86 2ktaA15 ARG 21 HG2 -0.03 0.02 0.08 -0.04 1.67 1.70 2ktaA15 ARG 21 HG3 -0.03 -0.07 0.02 -0.04 1.67 1.55 2ktaA15 ARG 21 HD2 -0.06 -0.06 -0.06 -0.04 3.22 3.00 2ktaA15 ARG 21 HD3 -0.07 0.10 -0.55 -0.04 3.22 2.65 2ktaA15 LYS 22 H -0.08 0.42 -0.20 -0.55 8.42 8.01 2ktaA15 LYS 22 HA -0.18 0.03 0.39 -0.75 4.32 3.80 2ktaA15 LYS 22 HB2 -0.18 0.22 0.20 -0.04 1.87 2.07 2ktaA15 LYS 22 HB3 -0.48 -0.03 0.13 -0.04 1.79 1.38 2ktaA15 LYS 22 HG2 -0.23 -0.02 0.05 -0.04 1.46 1.22 2ktaA15 LYS 22 HG3 -0.26 -0.07 0.01 -0.04 1.46 1.10 2ktaA15 LYS 22 HD2 -1.09 -0.03 -0.09 -0.04 1.69 0.44 2ktaA15 LYS 22 HD3 -0.55 0.06 -0.10 -0.04 1.68 1.05 2ktaA15 LYS 22 HE2 -0.23 -0.00 0.01 -0.04 2.99 2.72 2ktaA15 LYS 22 HE3 -0.25 -0.04 -0.01 -0.04 2.99 2.64 2ktaA15 TYR 23 H -0.09 0.55 0.06 -0.55 8.29 8.26 2ktaA15 TYR 23 HA -0.11 0.08 0.63 -0.75 4.56 4.41 2ktaA15 TYR 23 HB2 -0.30 0.08 0.03 -0.04 3.06 2.83 2ktaA15 TYR 23 HB3 -0.11 0.02 0.05 -0.04 2.98 2.90 2ktaA15 TYR 23 HD2 -0.63 0.07 0.06 -0.04 7.15 6.61 2ktaA15 TYR 23 HE2 -0.29 -0.04 -0.01 -0.04 6.85 6.47 2ktaA15 ARG 24 H 0.04 0.11 -0.32 -0.55 8.46 7.74 2ktaA15 ARG 24 HA 0.07 0.25 0.50 -0.75 4.34 4.41 2ktaA15 ARG 24 HB2 0.02 0.19 0.25 -0.04 1.90 2.32 2ktaA15 ARG 24 HB3 0.02 -0.12 0.17 -0.04 1.80 1.82 2ktaA15 ARG 24 HG2 -0.00 0.08 -0.12 -0.04 1.67 1.58 2ktaA15 ARG 24 HG3 0.00 -0.12 0.03 -0.04 1.67 1.54 2ktaA15 ARG 24 HD2 0.02 -0.06 0.09 -0.04 3.22 3.24 2ktaA15 ARG 24 HD3 0.03 0.41 0.20 -0.04 3.22 3.81 2ktaA15 ARG 25 H 0.20 0.09 0.12 -0.55 8.46 8.31 2ktaA15 ARG 25 HA 0.45 -0.05 0.30 -0.75 4.34 4.28 2ktaA15 ARG 25 HB2 -0.18 -0.06 0.11 -0.04 1.90 1.73 2ktaA15 ARG 25 HB3 -0.10 -0.02 -0.11 -0.04 1.80 1.52 2ktaA15 ARG 25 HG2 0.03 0.53 0.21 -0.04 1.67 2.39 2ktaA15 ARG 25 HG3 -0.04 -0.13 -0.12 -0.04 1.67 1.33 2ktaA15 ARG 25 HD2 -0.19 -0.06 -0.01 -0.04 3.22 2.92 2ktaA15 ARG 25 HD3 -0.09 0.03 -0.06 -0.04 3.22 3.07 2ktaA15 PHE 26 H 0.10 0.14 -0.02 -0.55 8.34 8.00 2ktaA15 PHE 26 HA 0.10 0.25 0.77 -0.75 4.62 4.98 2ktaA15 PHE 26 HB2 0.21 -0.11 0.08 -0.04 3.15 3.29 2ktaA15 PHE 26 HB3 0.53 0.09 -0.16 -0.04 3.06 3.47 2ktaA15 PHE 26 HD2 0.18 0.06 -0.08 -0.04 7.28 7.40 2ktaA15 PHE 26 HE2 0.06 0.10 -0.07 -0.04 7.38 7.43 2ktaA15 PHE 26 HZ 0.16 -0.04 -0.00 -0.04 7.32 7.39 2ktaA15 PRO 27 HA -0.10 0.12 0.42 -0.51 4.44 4.37 2ktaA15 PRO 27 HB2 0.01 0.02 -0.01 -0.04 2.28 2.26 2ktaA15 PRO 27 HB3 -0.03 0.05 0.07 -0.04 2.02 2.07 2ktaA15 PRO 27 HG2 0.01 0.07 0.05 -0.04 2.03 2.12 2ktaA15 PRO 27 HG3 -0.02 0.06 0.01 -0.04 2.03 2.04 2ktaA15 PRO 27 HD2 0.06 0.02 0.14 -0.04 3.68 3.86 2ktaA15 PRO 27 HD3 0.08 0.34 -0.19 -0.04 3.65 3.84 2ktaA15 LYS 28 H 0.07 0.12 -0.06 -0.55 8.42 8.00 2ktaA15 LYS 28 HA 0.08 0.26 0.77 -0.75 4.32 4.68 2ktaA15 LYS 28 HB2 0.05 0.00 0.01 -0.04 1.87 1.88 2ktaA15 LYS 28 HB3 0.05 -0.01 0.12 -0.04 1.79 1.91 2ktaA15 LYS 28 HG2 0.04 0.07 -0.11 -0.04 1.46 1.41 2ktaA15 LYS 28 HG3 0.03 -0.06 -0.19 -0.04 1.46 1.20 2ktaA15 LYS 28 HD2 0.03 0.00 -0.02 -0.04 1.69 1.66 2ktaA15 LYS 28 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.65 2ktaA15 LYS 28 HE2 0.02 0.01 -0.03 -0.04 2.99 2.95 2ktaA15 LYS 28 HE3 0.02 0.01 -0.04 -0.04 2.99 2.94 2ktaA15 SER 29 H 0.18 0.10 -0.40 -0.55 8.46 7.79 2ktaA15 SER 29 HA 0.12 0.07 0.61 -0.75 4.49 4.54 2ktaA15 SER 29 HB2 0.48 0.07 0.08 -0.04 3.95 4.53 2ktaA15 SER 29 HB3 0.17 -0.05 0.02 -0.04 3.93 4.03 2ktaA15 THR 30 H 0.10 0.21 0.16 -0.55 8.28 8.20 2ktaA15 THR 30 HA 0.21 0.20 0.88 -0.75 4.39 4.92 2ktaA15 THR 30 HB 0.18 0.10 -0.12 -0.04 4.32 4.44 2ktaA15 THR 30 HG23 0.05 0.00 -0.02 -0.04 1.22 1.21 2ktaA15 GLU 31 H 0.03 0.07 -0.17 -0.55 8.60 7.98 2ktaA15 GLU 31 HA 0.00 0.09 0.45 -0.75 4.29 4.08 2ktaA15 GLU 31 HB2 -0.09 0.00 0.05 -0.04 2.09 2.01 2ktaA15 GLU 31 HB3 -0.04 0.02 -0.00 -0.04 1.99 1.92 2ktaA15 GLU 31 HG2 0.01 0.04 0.03 -0.04 2.34 2.38 2ktaA15 GLU 31 HG3 0.03 -0.07 0.05 -0.04 2.34 2.31 2ktaA15 GLY 32 H -0.01 0.16 0.19 -0.55 8.43 8.22 2ktaA15 GLY 32 HA2 -0.02 0.10 0.35 -0.51 4.01 3.93 2ktaA15 GLY 32 HA3 -0.07 0.01 0.33 -0.51 4.01 3.77 2ktaA15 ASN 33 H -0.05 0.16 0.18 -0.55 8.53 8.28 2ktaA15 ASN 33 HA 0.07 0.14 0.46 -0.75 4.76 4.67 2ktaA15 ASN 33 HB2 0.09 0.05 0.08 -0.04 2.88 3.06 2ktaA15 ASN 33 HB3 0.01 0.02 0.13 -0.04 2.79 2.90 2ktaA15 ASN 33 HD21 -0.17 0.05 0.02 -0.04 7.03 6.89 2ktaA15 ASN 33 HD22 -0.09 -0.03 0.10 -0.04 7.74 7.69 2ktaA15 LEU 34 H -0.12 0.11 -0.12 -0.55 8.37 7.70 2ktaA15 LEU 34 HA 0.03 0.02 0.33 -0.75 4.35 3.98 2ktaA15 LEU 34 HB2 -0.42 0.18 0.01 -0.04 1.64 1.37 2ktaA15 LEU 34 HB3 -0.67 0.05 -0.03 -0.04 1.64 0.95 2ktaA15 LEU 34 HG -0.37 -0.12 0.04 -0.04 1.64 1.15 2ktaA15 LEU 34 HD13 -0.89 0.02 -0.08 -0.04 0.93 -0.06 2ktaA15 LEU 34 HD23 -0.57 0.01 -0.02 -0.04 0.89 0.28 2ktaA15 GLY 35 H 0.03 0.45 -0.59 -0.55 8.43 7.77 2ktaA15 GLY 35 HA2 0.29 0.27 0.42 -0.51 4.01 4.48 2ktaA15 GLY 35 HA3 0.16 0.12 0.03 -0.51 4.01 3.81 2ktaA15 GLY 36 H 0.17 0.23 -0.34 -0.55 8.43 7.95 2ktaA15 GLY 36 HA2 0.20 0.11 0.61 -0.51 4.01 4.41 2ktaA15 GLY 36 HA3 0.14 0.04 0.27 -0.51 4.01 3.95 2ktaA15 TRP 37 H 0.35 0.42 -0.22 -0.55 7.97 7.98 2ktaA15 TRP 37 HA 0.07 0.01 0.36 -0.75 4.62 4.30 2ktaA15 TRP 37 HB2 0.06 0.14 0.06 -0.04 3.23 3.44 2ktaA15 TRP 37 HB3 0.12 0.08 0.16 -0.04 3.23 3.56 2ktaA15 TRP 37 HD1 0.09 -0.01 -0.05 -0.04 7.22 7.21 2ktaA15 TRP 37 HE1 0.22 -0.05 -0.06 -0.04 10.20 10.27 2ktaA15 TRP 37 HE3 0.12 0.06 -0.16 -0.04 7.59 7.57 2ktaA15 TRP 37 HZ2 0.48 -0.05 -0.06 -0.04 7.44 7.77 2ktaA15 TRP 37 HZ3 -0.14 0.04 -0.09 -0.04 7.13 6.90 2ktaA15 TRP 37 HH2 0.27 0.02 -0.08 -0.04 7.19 7.36 2ktaA15 CYS 38 H 0.45 0.63 -0.06 -0.55 8.50 8.97 2ktaA15 CYS 38 HA 0.02 0.01 0.29 -0.75 4.58 4.16 2ktaA15 CYS 38 HB2 -0.26 0.00 0.02 -0.04 2.97 2.70 2ktaA15 CYS 38 HB3 0.04 -0.04 0.09 -0.04 2.97 3.03 2ktaA15 HIS 39 H 0.12 0.24 -0.42 -0.55 8.41 7.80 2ktaA15 HIS 39 HA 0.01 0.08 0.42 -0.75 4.63 4.38 2ktaA15 HIS 39 HB2 0.05 0.08 0.20 -0.04 3.26 3.54 2ktaA15 HIS 39 HB3 0.02 -0.05 0.02 -0.04 3.20 3.15 2ktaA15 HIS 39 HD2 0.01 -0.04 0.02 -0.04 6.97 6.92 2ktaA15 HIS 39 HE1 0.05 -0.03 -0.10 -0.04 7.75 7.62 2ktaA15 THR 40 H 0.07 0.72 -0.06 -0.55 8.28 8.46 2ktaA15 THR 40 HA 0.01 0.02 0.46 -0.75 4.39 4.13 2ktaA15 THR 40 HB -0.10 0.10 0.16 -0.04 4.32 4.44 2ktaA15 THR 40 HG23 -0.06 -0.02 -0.03 -0.04 1.22 1.07 2ktaA15 GLN 41 H -0.15 0.47 -0.28 -0.55 8.47 7.97 2ktaA15 GLN 41 HA -0.14 -0.01 0.44 -0.75 4.36 3.89 2ktaA15 GLN 41 HB2 -0.33 0.21 0.10 -0.04 2.15 2.09 2ktaA15 GLN 41 HB3 -0.13 -0.03 0.05 -0.04 2.02 1.86 2ktaA15 GLN 41 HG2 -0.32 -0.07 0.02 -0.04 2.40 2.00 2ktaA15 GLN 41 HG3 -0.41 -0.01 -0.03 -0.04 2.39 1.90 2ktaA15 GLN 41 HE21 -1.11 0.12 0.06 -0.04 6.97 6.00 2ktaA15 GLN 41 HE22 -4.10 -0.13 -0.07 -0.04 7.69 3.34 2ktaA15 ARG 42 H -0.02 0.34 -0.57 -0.55 8.46 7.65 2ktaA15 ARG 42 HA 0.03 0.07 0.58 -0.75 4.34 4.27 2ktaA15 ARG 42 HB2 0.03 0.34 0.24 -0.04 1.90 2.47 2ktaA15 ARG 42 HB3 0.03 -0.04 -0.01 -0.04 1.80 1.73 2ktaA15 ARG 42 HG2 0.03 -0.02 0.05 -0.04 1.67 1.69 2ktaA15 ARG 42 HG3 0.02 -0.03 0.08 -0.04 1.67 1.70 2ktaA15 ARG 42 HD2 0.02 -0.06 -0.00 -0.04 3.22 3.14 2ktaA15 ARG 42 HD3 -0.06 0.13 0.03 -0.04 3.22 3.29 2ktaA15 LYS 43 H -0.01 0.40 -0.18 -0.55 8.42 8.08 2ktaA15 LYS 43 HA -0.01 0.09 0.50 -0.75 4.32 4.14 2ktaA15 LYS 43 HB2 -0.02 0.21 0.20 -0.04 1.87 2.22 2ktaA15 LYS 43 HB3 -0.02 -0.04 0.04 -0.04 1.79 1.74 2ktaA15 LYS 43 HG2 -0.00 -0.02 0.05 -0.04 1.46 1.45 2ktaA15 LYS 43 HG3 -0.00 -0.02 0.03 -0.04 1.46 1.44 2ktaA15 LYS 43 HD2 0.02 -0.03 0.03 -0.04 1.69 1.67 2ktaA15 LYS 43 HD3 0.01 -0.01 0.15 -0.04 1.68 1.79 2ktaA15 LYS 43 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 2ktaA15 LYS 43 HE3 -0.01 0.07 0.17 -0.04 2.99 3.19 2ktaA15 MET 44 H -0.05 0.26 -0.16 -0.55 8.47 7.97 2ktaA15 MET 44 HA -0.05 0.07 0.43 -0.75 4.52 4.21 2ktaA15 MET 44 HB2 -0.09 0.07 0.12 -0.04 2.15 2.21 2ktaA15 MET 44 HB3 -0.08 -0.06 -0.03 -0.04 2.03 1.82 2ktaA15 MET 44 HG2 -0.08 0.11 0.03 -0.04 2.63 2.66 2ktaA15 MET 44 HG3 -0.12 0.00 -0.03 -0.04 2.56 2.38 2ktaA15 MET 44 HE3 -0.04 0.01 -0.14 -0.04 2.10 1.89 2ktaA15 ARG 45 H -0.02 0.63 -0.19 -0.55 8.46 8.32 2ktaA15 ARG 45 HA -0.05 -0.02 0.56 -0.75 4.34 4.07 2ktaA15 ARG 45 HB2 0.08 -0.01 0.14 -0.04 1.90 2.07 2ktaA15 ARG 45 HB3 0.03 0.13 0.22 -0.04 1.80 2.13 2ktaA15 ARG 45 HG2 -0.03 0.03 -0.29 -0.04 1.67 1.34 2ktaA15 ARG 45 HG3 -0.01 -0.04 0.03 -0.04 1.67 1.61 2ktaA15 ARG 45 HD2 0.19 -0.02 0.01 -0.04 3.22 3.36 2ktaA15 ARG 45 HD3 0.04 0.01 0.02 -0.04 3.22 3.26 2ktaA15 LYS 46 H -0.02 0.38 -0.27 -0.55 8.42 7.96 2ktaA15 LYS 46 HA -0.02 0.04 0.37 -0.75 4.32 3.95 2ktaA15 LYS 46 HB2 -0.01 0.04 0.15 -0.04 1.87 2.00 2ktaA15 LYS 46 HB3 -0.01 0.05 0.26 -0.04 1.79 2.05 2ktaA15 LYS 46 HG2 -0.01 0.03 -0.34 -0.04 1.46 1.10 2ktaA15 LYS 46 HG3 -0.01 -0.04 0.00 -0.04 1.46 1.37 2ktaA15 LYS 46 HD2 -0.01 -0.03 0.01 -0.04 1.69 1.62 2ktaA15 LYS 46 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 2ktaA15 LYS 46 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 2ktaA15 LYS 46 HE3 -0.01 0.01 -0.07 -0.04 2.99 2.88 2ktaA15 GLN 47 H -0.02 0.64 -0.04 -0.55 8.47 8.49 2ktaA15 GLN 47 HA -0.02 0.03 0.46 -0.75 4.36 4.08 2ktaA15 GLN 47 HB2 -0.02 0.12 0.15 -0.04 2.15 2.36 2ktaA15 GLN 47 HB3 -0.03 -0.08 0.03 -0.04 2.02 1.89 2ktaA15 GLN 47 HG2 -0.02 0.01 -0.02 -0.04 2.40 2.33 2ktaA15 GLN 47 HG3 -0.02 -0.01 0.06 -0.04 2.39 2.38 2ktaA15 GLN 47 HE21 -0.02 0.02 -0.00 -0.04 6.97 6.92 2ktaA15 GLN 47 HE22 -0.02 -0.04 -0.02 -0.04 7.69 7.57 2ktaA15 GLY 48 H -0.04 0.22 -0.55 -0.55 8.43 7.52 2ktaA15 GLY 48 HA2 -0.05 0.09 0.31 -0.51 4.01 3.85 2ktaA15 GLY 48 HA3 -0.02 0.11 0.56 -0.51 4.01 4.15 2ktaA15 LYS 49 H -0.05 0.39 0.11 -0.55 8.42 8.31 2ktaA15 LYS 49 HA -0.05 0.23 0.87 -0.75 4.32 4.62 2ktaA15 LYS 49 HB2 -0.05 -0.05 0.11 -0.04 1.87 1.83 2ktaA15 LYS 49 HB3 -0.04 0.06 -0.15 -0.04 1.79 1.62 2ktaA15 LYS 49 HG2 -0.04 0.00 -0.06 -0.04 1.46 1.32 2ktaA15 LYS 49 HG3 -0.06 0.00 -0.21 -0.04 1.46 1.15 2ktaA15 LYS 49 HD2 -0.04 0.01 -0.04 -0.04 1.69 1.59 2ktaA15 LYS 49 HD3 -0.05 -0.02 -0.05 -0.04 1.68 1.53 2ktaA15 LYS 49 HE2 -0.07 -0.03 -0.09 -0.04 2.99 2.76 2ktaA15 LYS 49 HE3 -0.05 0.01 0.01 -0.04 2.99 2.92 2ktaA15 LEU 50 H -0.08 0.15 -0.04 -0.55 8.37 7.86 2ktaA15 LEU 50 HA -0.11 0.04 0.37 -0.75 4.35 3.89 2ktaA15 LEU 50 HB2 -0.11 0.05 -0.04 -0.04 1.64 1.50 2ktaA15 LEU 50 HB3 -0.13 0.04 -0.15 -0.04 1.64 1.35 2ktaA15 LEU 50 HG -0.08 -0.19 -0.35 -0.04 1.64 0.98 2ktaA15 LEU 50 HD13 0.03 0.03 -0.01 -0.04 0.93 0.94 2ktaA15 LEU 50 HD23 -0.14 -0.01 0.02 -0.04 0.89 0.72 2ktaA15 PRO 51 HA -0.10 0.08 0.41 -0.51 4.44 4.31 2ktaA15 PRO 51 HB2 -0.18 -0.18 0.08 -0.04 2.28 1.96 2ktaA15 PRO 51 HB3 -0.15 0.02 0.13 -0.04 2.02 1.97 2ktaA15 PRO 51 HG2 -0.23 0.01 0.10 -0.04 2.03 1.87 2ktaA15 PRO 51 HG3 -0.15 0.12 0.12 -0.04 2.03 2.09 2ktaA15 PRO 51 HD2 -0.15 0.07 0.17 -0.04 3.68 3.72 2ktaA15 PRO 51 HD3 -0.13 0.22 0.24 -0.04 3.65 3.94 2ktaA15 ASN 52 H -0.08 0.20 0.21 -0.55 8.53 8.31 2ktaA15 ASN 52 HA -0.10 0.19 0.50 -0.75 4.76 4.60 2ktaA15 ASN 52 HB2 -0.07 0.14 0.11 -0.04 2.88 3.02 2ktaA15 ASN 52 HB3 -0.05 -0.05 0.15 -0.04 2.79 2.80 2ktaA15 ASN 52 HD21 -0.02 -0.05 -0.20 -0.04 7.03 6.72 2ktaA15 ASN 52 HD22 -0.01 0.03 -0.10 -0.04 7.74 7.62 2ktaA15 ASP 53 H -0.05 0.10 -0.01 -0.55 8.40 7.89 2ktaA15 ASP 53 HA 0.02 0.13 0.38 -0.75 4.63 4.41 2ktaA15 ASP 53 HB2 -0.07 -0.08 0.11 -0.04 2.71 2.62 2ktaA15 ASP 53 HB3 0.01 0.07 0.01 -0.04 2.70 2.74 2ktaA15 ARG 54 H -0.12 0.07 -0.21 -0.55 8.46 7.65 2ktaA15 ARG 54 HA 0.02 0.05 0.35 -0.75 4.34 4.01 2ktaA15 ARG 54 HB2 -0.64 -0.03 0.05 -0.04 1.90 1.24 2ktaA15 ARG 54 HB3 -0.20 0.09 0.02 -0.04 1.80 1.67 2ktaA15 ARG 54 HG2 0.19 0.00 -0.19 -0.04 1.67 1.64 2ktaA15 ARG 54 HG3 -0.67 -0.04 -0.03 -0.04 1.67 0.89 2ktaA15 ARG 54 HD2 -0.10 0.01 -0.10 -0.04 3.22 2.99 2ktaA15 ARG 54 HD3 -0.29 -0.02 -0.03 -0.04 3.22 2.84 2ktaA15 ARG 55 H 0.02 0.28 -0.49 -0.55 8.46 7.72 2ktaA15 ARG 55 HA 0.63 0.03 0.36 -0.75 4.34 4.60 2ktaA15 ARG 55 HB2 -0.17 0.14 0.07 -0.04 1.90 1.90 2ktaA15 ARG 55 HB3 -0.06 0.11 0.24 -0.04 1.80 2.05 2ktaA15 ARG 55 HG2 -0.14 -0.04 -0.29 -0.04 1.67 1.16 2ktaA15 ARG 55 HG3 -1.21 0.01 -0.03 -0.04 1.67 0.40 2ktaA15 ARG 55 HD2 -0.34 0.02 -0.04 -0.04 3.22 2.82 2ktaA15 ARG 55 HD3 -0.20 -0.02 -0.03 -0.04 3.22 2.93 2ktaA15 LEU 56 H 0.11 0.67 -0.12 -0.55 8.37 8.48 2ktaA15 LEU 56 HA 0.22 0.05 0.38 -0.75 4.35 4.25 2ktaA15 LEU 56 HB2 0.07 0.05 0.12 -0.04 1.64 1.84 2ktaA15 LEU 56 HB3 0.10 0.06 0.11 -0.04 1.64 1.87 2ktaA15 LEU 56 HG 0.12 -0.02 -0.06 -0.04 1.64 1.63 2ktaA15 LEU 56 HD13 0.09 -0.00 0.02 -0.04 0.93 1.00 2ktaA15 LEU 56 HD23 0.06 -0.01 -0.02 -0.04 0.89 0.88 2ktaA15 LEU 57 H 0.19 0.49 -0.20 -0.55 8.37 8.30 2ktaA15 LEU 57 HA 0.21 0.03 0.40 -0.75 4.35 4.24 2ktaA15 LEU 57 HB2 0.23 0.11 0.10 -0.04 1.64 2.04 2ktaA15 LEU 57 HB3 -0.01 -0.05 0.03 -0.04 1.64 1.56 2ktaA15 LEU 57 HG 0.13 0.45 0.00 -0.04 1.64 2.18 2ktaA15 LEU 57 HD13 0.21 -0.04 -0.09 -0.04 0.93 0.97 2ktaA15 LEU 57 HD23 0.12 -0.02 -0.03 -0.04 0.89 0.91 2ktaA15 LEU 58 H 0.38 0.47 -0.35 -0.55 8.37 8.32 2ktaA15 LEU 58 HA 0.33 0.01 0.50 -0.75 4.35 4.44 2ktaA15 LEU 58 HB2 0.45 0.21 0.12 -0.04 1.64 2.39 2ktaA15 LEU 58 HB3 -0.01 -0.07 0.00 -0.04 1.64 1.52 2ktaA15 LEU 58 HG 0.46 0.40 0.05 -0.04 1.64 2.51 2ktaA15 LEU 58 HD13 0.11 -0.02 -0.08 -0.04 0.93 0.90 2ktaA15 LEU 58 HD23 0.47 -0.04 -0.08 -0.04 0.89 1.20 2ktaA15 ASP 59 H 0.45 0.42 -0.09 -0.55 8.40 8.63 2ktaA15 ASP 59 HA 0.24 0.21 0.45 -0.75 4.63 4.77 2ktaA15 ASP 59 HB2 0.58 0.02 0.11 -0.04 2.71 3.37 2ktaA15 ASP 59 HB3 0.30 0.08 0.15 -0.04 2.70 3.19 2ktaA15 LYS 60 H 0.24 0.43 -0.33 -0.55 8.42 8.21 2ktaA15 LYS 60 HA 0.13 0.02 0.40 -0.75 4.32 4.12 2ktaA15 LYS 60 HB2 0.22 0.19 0.20 -0.04 1.87 2.44 2ktaA15 LYS 60 HB3 0.15 -0.05 -0.01 -0.04 1.79 1.84 2ktaA15 LYS 60 HG2 0.15 0.15 0.01 -0.04 1.46 1.73 2ktaA15 LYS 60 HG3 0.14 -0.09 -0.02 -0.04 1.46 1.45 2ktaA15 LYS 60 HD2 0.09 -0.02 0.01 -0.04 1.69 1.73 2ktaA15 LYS 60 HD3 0.10 0.03 0.03 -0.04 1.68 1.80 2ktaA15 LYS 60 HE2 0.09 0.00 -0.03 -0.04 2.99 3.01 2ktaA15 LYS 60 HE3 0.09 -0.04 -0.03 -0.04 2.99 2.96 2ktaA15 ILE 61 H 0.20 0.33 -0.21 -0.55 8.25 8.03 2ktaA15 ILE 61 HA 0.07 0.08 0.46 -0.75 4.18 4.03 2ktaA15 ILE 61 HB 0.03 0.01 0.14 -0.04 1.89 2.02 2ktaA15 ILE 61 HG12 0.24 0.14 0.23 -0.04 1.49 2.06 2ktaA15 ILE 61 HG13 0.18 -0.02 -0.09 -0.04 1.21 1.24 2ktaA15 ILE 61 HG23 -0.02 -0.01 0.04 -0.04 0.93 0.91 2ktaA15 ILE 61 HD13 0.06 -0.03 -0.09 -0.04 0.88 0.79 2ktaA15 GLY 62 H 0.14 0.18 -0.64 -0.55 8.43 7.56 2ktaA15 GLY 62 HA2 0.08 0.08 0.18 -0.51 4.01 3.83 2ktaA15 GLY 62 HA3 0.07 0.16 0.70 -0.51 4.01 4.43 2ktaA15 PHE 63 H 0.21 0.50 0.06 -0.55 8.34 8.56 2ktaA15 PHE 63 HA -0.05 -0.01 0.54 -0.75 4.62 4.35 2ktaA15 PHE 63 HB2 0.01 -0.03 0.04 -0.04 3.15 3.13 2ktaA15 PHE 63 HB3 -0.17 -0.06 -0.14 -0.04 3.06 2.65 2ktaA15 PHE 63 HD2 -0.64 -0.06 -0.17 -0.04 7.28 6.38 2ktaA15 PHE 63 HE2 -0.68 -0.05 -0.06 -0.04 7.38 6.54 2ktaA15 PHE 63 HZ -0.32 0.01 -0.04 -0.04 7.32 6.94 2ktaA15 VAL 64 H -0.62 0.12 0.17 -0.55 8.24 7.35 2ktaA15 VAL 64 HA -0.17 0.13 0.55 -0.75 4.13 3.89 2ktaA15 VAL 64 HB -0.15 0.14 0.06 -0.04 2.12 2.13 2ktaA15 VAL 64 HG13 -0.32 0.00 0.05 -0.04 0.97 0.66 2ktaA15 VAL 64 HG23 -0.06 -0.10 -0.04 -0.04 0.95 0.71 2ktaA15 TRP 65 H 0.11 0.18 0.08 -0.55 7.97 7.80 2ktaA15 TRP 65 HA 0.00 0.16 0.60 -0.75 4.62 4.63 2ktaA15 TRP 65 HB2 0.06 -0.02 0.06 -0.04 3.23 3.30 2ktaA15 TRP 65 HB3 0.11 0.05 0.17 -0.04 3.23 3.52 2ktaA15 TRP 65 HD1 0.10 -0.01 -0.01 -0.04 7.22 7.27 2ktaA15 TRP 65 HE1 0.18 0.08 0.00 -0.04 10.20 10.43 2ktaA15 TRP 65 HE3 0.14 0.05 0.01 -0.04 7.59 7.74 2ktaA15 TRP 65 HZ2 0.15 -0.01 0.09 -0.04 7.44 7.63 2ktaA15 TRP 65 HZ3 0.09 0.00 -0.05 -0.04 7.13 7.13 2ktaA15 TRP 65 HH2 0.02 -0.05 -0.07 -0.04 7.19 7.05 2ktaA15 SER 66 H -0.04 -0.09 -0.68 -0.55 8.46 7.11 2ktaA15 SER 66 HA -0.02 -0.11 0.30 -0.75 4.49 3.91 2ktaA15 SER 66 HB2 0.05 0.24 0.13 -0.04 3.95 4.32 2ktaA15 SER 66 HB3 0.00 0.04 0.02 -0.04 3.93 3.95 2ktaA15 LEU 67 H 0.02 0.02 0.05 -0.55 8.37 7.92 2ktaA15 LEU 67 HA 0.10 0.13 0.49 -0.75 4.35 4.31 2ktaA15 LEU 67 HB2 0.03 0.02 0.07 -0.04 1.64 1.71 2ktaA15 LEU 67 HB3 0.04 -0.16 0.15 -0.04 1.64 1.63 2ktaA15 LEU 67 HG 0.05 0.04 0.01 -0.04 1.64 1.69 2ktaA15 LEU 67 HD13 0.02 -0.02 -0.04 -0.04 0.93 0.85 2ktaA15 LEU 67 HD23 0.02 0.01 0.02 -0.04 0.89 0.90 2ktaA15 GLU 68 H 0.06 0.05 0.09 -0.55 8.60 8.25 2ktaA15 GLU 68 HA 0.07 -0.04 0.35 -0.75 4.29 3.92 2ktaA15 GLU 68 HB2 0.04 -0.07 0.01 -0.04 2.09 2.03 2ktaA15 GLU 68 HB3 0.03 0.27 0.28 -0.04 1.99 2.53 2ktaA15 GLU 68 HG2 0.04 -0.02 0.03 -0.04 2.34 2.35 2ktaA15 GLU 68 HG3 0.06 0.03 0.04 -0.04 2.34 2.43 2ktaA15 HIS 69 H 0.13 0.06 0.04 -0.55 8.41 8.09 2ktaA15 HIS 69 HA -0.12 0.26 0.85 -0.75 4.63 4.86 2ktaA15 HIS 69 HB2 -0.02 -0.01 -0.10 -0.04 3.26 3.09 2ktaA15 HIS 69 HB3 -0.03 -0.08 0.07 -0.04 3.20 3.12 2ktaA15 HIS 69 HD2 -0.31 0.03 -0.24 -0.04 6.97 6.41 2ktaA15 HIS 69 HE1 -0.08 -0.01 0.01 -0.04 7.75 7.63 2ktaA15 HIS 70 H -0.52 0.23 0.14 -0.55 8.41 7.71 2ktaA15 HIS 70 HA 0.11 0.15 0.92 -0.75 4.63 5.06 2ktaA15 HIS 70 HB2 0.05 0.03 0.06 -0.04 3.26 3.36 2ktaA15 HIS 70 HB3 0.02 -0.02 -0.04 -0.04 3.20 3.12 2ktaA15 HIS 70 HD2 -0.03 0.02 -0.34 -0.04 6.97 6.58 2ktaA15 HIS 70 HE1 -0.07 0.01 -0.00 -0.04 7.75 7.64 2ktaA15 HIS 71 H 0.30 0.12 0.17 -0.55 8.41 8.45 2ktaA15 HIS 71 HA 0.11 0.21 0.85 -0.75 4.63 5.05 2ktaA15 HIS 71 HB2 0.06 -0.03 0.11 -0.04 3.26 3.36 2ktaA15 HIS 71 HB3 0.01 0.00 -0.04 -0.04 3.20 3.13 2ktaA15 HIS 71 HD2 0.11 0.00 -0.01 -0.04 6.97 7.02 2ktaA15 HIS 71 HE1 0.00 -0.00 -0.06 -0.04 7.75 7.65 2ktaA15 HIS 72 H 0.12 0.30 0.15 -0.55 8.41 8.44 2ktaA15 HIS 72 HA -0.16 0.01 0.41 -0.75 4.63 4.13 2ktaA15 HIS 72 HB2 0.11 0.07 -0.43 -0.04 3.26 2.97 2ktaA15 HIS 72 HB3 0.04 0.04 -0.06 -0.04 3.20 3.17 2ktaA15 HIS 72 HD2 -0.02 0.11 0.11 -0.04 6.97 7.13 2ktaA15 HIS 72 HE1 0.03 -0.02 -0.01 -0.04 7.75 7.71 2ktaA15 HIS 73 H -0.45 0.13 -0.02 -0.55 8.41 7.52 2ktaA15 HIS 73 HA 0.07 0.19 0.67 -0.75 4.63 4.80 2ktaA15 HIS 73 HB2 0.03 0.03 0.13 -0.04 3.26 3.41 2ktaA15 HIS 73 HB3 0.05 0.13 -0.00 -0.04 3.20 3.33 2ktaA15 HIS 73 HD2 0.09 0.04 -0.12 -0.04 6.97 6.93 2ktaA15 HIS 73 HE1 -0.04 0.00 -0.01 -0.04 7.75 7.66 2ktaA15 HIS 74 H 0.16 0.17 -0.02 -0.55 8.41 8.17 2ktaA15 HIS 74 HA 0.05 0.15 0.22 -0.75 4.63 4.28 2ktaA15 HIS 74 HB2 -0.01 0.14 -0.10 -0.04 3.26 3.25 2ktaA15 HIS 74 HB3 -0.03 -0.02 -0.01 -0.04 3.20 3.10 2ktaA15 HIS 74 HD2 0.02 0.04 0.08 -0.04 6.97 7.06 2ktaA15 HIS 74 HE1 0.01 -0.01 0.02 -0.04 7.75 7.72