============================================================================= 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 -8.591 2.921 0.105 -99.200 -91.000 TRP6 9 1.020 -6.386 2.072 0.144 -99.200 -91.000 TYR 13 0.840 -6.166 -1.801 4.631 -99.200 -91.000 PHE 19 1.000 -0.037 -10.050 -3.401 -99.200 -91.000 TYR 23 0.840 3.473 -14.054 -1.506 -99.200 -91.000 PHE 26 1.000 2.923 -3.590 -3.532 -99.200 -91.000 TRP 37 1.040 -2.387 0.299 -3.604 -99.200 -91.000 TRP6 37 1.020 -1.019 0.390 -1.680 -99.200 -91.000 HIS 39 0.900 2.687 0.243 -12.823 -99.200 -91.000 PHE 63 1.000 4.745 -3.214 2.189 -99.200 -91.000 TRP 65 1.040 7.460 0.116 5.674 -99.200 -91.000 TRP6 65 1.020 6.683 1.861 4.287 -99.200 -91.000 HIS 69 0.900 13.300 1.500 12.972 -99.200 -91.000 HIS 70 0.900 21.011 -0.421 11.787 -99.200 -91.000 HIS 71 0.900 13.606 -3.471 18.438 -99.200 -91.000 HIS 72 0.900 16.345 -9.696 18.706 -99.200 -91.000 HIS 73 0.900 21.508 -10.470 13.900 -99.200 -91.000 HIS 74 0.900 25.912 -5.691 15.704 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ktaA2 MET 1 HA 0.00 0.02 0.21 -0.75 4.52 4.00 2ktaA2 MET 1 HB2 0.01 -0.21 0.12 -0.04 2.15 2.03 2ktaA2 MET 1 HB3 0.01 0.04 -0.01 -0.04 2.03 2.03 2ktaA2 MET 1 HG2 0.01 0.00 0.02 -0.04 2.63 2.62 2ktaA2 MET 1 HG3 0.00 0.04 0.04 -0.04 2.56 2.60 2ktaA2 MET 1 HE3 -0.00 0.01 0.01 -0.04 2.10 2.08 2ktaA2 ASN 2 H 0.01 0.08 0.04 -0.55 8.53 8.12 2ktaA2 ASN 2 HA 0.01 0.20 0.53 -0.75 4.76 4.74 2ktaA2 ASN 2 HB2 0.01 -0.03 0.15 -0.04 2.88 2.97 2ktaA2 ASN 2 HB3 0.01 0.13 -0.11 -0.04 2.79 2.77 2ktaA2 ASN 2 HD21 0.02 -0.04 0.06 -0.04 7.03 7.03 2ktaA2 ASN 2 HD22 0.02 -0.02 -0.04 -0.04 7.74 7.65 2ktaA2 GLN 3 H 0.00 0.22 0.02 -0.55 8.47 8.16 2ktaA2 GLN 3 HA 0.01 -0.05 0.42 -0.75 4.36 3.99 2ktaA2 GLN 3 HB2 -0.00 0.04 0.17 -0.04 2.15 2.32 2ktaA2 GLN 3 HB3 -0.00 0.06 0.05 -0.04 2.02 2.09 2ktaA2 GLN 3 HG2 -0.01 0.04 0.05 -0.04 2.40 2.44 2ktaA2 GLN 3 HG3 0.00 -0.03 0.06 -0.04 2.39 2.39 2ktaA2 GLN 3 HE21 0.01 -0.01 0.02 -0.04 6.97 6.95 2ktaA2 GLN 3 HE22 0.01 0.04 0.03 -0.04 7.69 7.73 2ktaA2 ASN 4 H 0.02 0.05 0.32 -0.55 8.53 8.37 2ktaA2 ASN 4 HA 0.01 0.18 0.59 -0.75 4.76 4.79 2ktaA2 ASN 4 HB2 0.02 -0.09 0.07 -0.04 2.88 2.85 2ktaA2 ASN 4 HB3 0.02 -0.05 0.03 -0.04 2.79 2.75 2ktaA2 ASN 4 HD21 0.01 -0.05 0.02 -0.04 7.03 6.98 2ktaA2 ASN 4 HD22 0.01 0.03 -0.01 -0.04 7.74 7.73 2ktaA2 LEU 5 H 0.02 0.19 0.07 -0.55 8.37 8.10 2ktaA2 LEU 5 HA 0.02 0.20 0.93 -0.75 4.35 4.74 2ktaA2 LEU 5 HB2 0.01 0.06 0.09 -0.04 1.64 1.76 2ktaA2 LEU 5 HB3 0.02 -0.00 0.24 -0.04 1.64 1.85 2ktaA2 LEU 5 HG 0.03 -0.05 -0.03 -0.04 1.64 1.55 2ktaA2 LEU 5 HD13 0.02 0.01 0.01 -0.04 0.93 0.93 2ktaA2 LEU 5 HD23 0.01 0.01 0.03 -0.04 0.89 0.90 2ktaA2 GLN 6 H 0.04 0.35 -0.14 -0.55 8.47 8.17 2ktaA2 GLN 6 HA 0.04 0.25 0.89 -0.75 4.36 4.79 2ktaA2 GLN 6 HB2 0.04 0.07 -0.08 -0.04 2.15 2.14 2ktaA2 GLN 6 HB3 0.05 -0.01 0.04 -0.04 2.02 2.06 2ktaA2 GLN 6 HG2 0.04 0.07 -0.02 -0.04 2.40 2.45 2ktaA2 GLN 6 HG3 0.05 -0.17 -0.12 -0.04 2.39 2.12 2ktaA2 GLN 6 HE21 0.03 -0.04 -0.04 -0.04 6.97 6.88 2ktaA2 GLN 6 HE22 0.02 0.09 0.02 -0.04 7.69 7.79 2ktaA2 GLY 7 H 0.05 0.27 0.13 -0.55 8.43 8.33 2ktaA2 GLY 7 HA2 0.11 0.15 0.52 -0.51 4.01 4.28 2ktaA2 GLY 7 HA3 0.05 0.13 0.42 -0.51 4.01 4.10 2ktaA2 GLU 8 H 0.10 0.33 -1.06 -0.55 8.60 7.42 2ktaA2 GLU 8 HA 0.07 0.09 0.37 -0.75 4.29 4.05 2ktaA2 GLU 8 HB2 0.07 0.02 0.01 -0.04 2.09 2.14 2ktaA2 GLU 8 HB3 0.12 0.09 -0.05 -0.04 1.99 2.11 2ktaA2 GLU 8 HG2 0.07 0.05 0.00 -0.04 2.34 2.41 2ktaA2 GLU 8 HG3 0.08 -0.07 0.08 -0.04 2.34 2.38 2ktaA2 TRP 9 H 0.29 0.21 -0.31 -0.55 7.97 7.61 2ktaA2 TRP 9 HA 0.11 0.11 0.55 -0.75 4.62 4.63 2ktaA2 TRP 9 HB2 0.06 0.08 0.09 -0.04 3.23 3.41 2ktaA2 TRP 9 HB3 0.03 -0.02 0.08 -0.04 3.23 3.28 2ktaA2 TRP 9 HD1 -0.00 0.02 -0.05 -0.04 7.22 7.15 2ktaA2 TRP 9 HE1 -0.05 0.03 -0.06 -0.04 10.20 10.08 2ktaA2 TRP 9 HE3 0.29 -0.04 0.10 -0.04 7.59 7.90 2ktaA2 TRP 9 HZ2 0.01 0.01 -0.07 -0.04 7.44 7.35 2ktaA2 TRP 9 HZ3 0.89 0.02 -0.06 -0.04 7.13 7.94 2ktaA2 TRP 9 HH2 0.54 0.05 -0.04 -0.04 7.19 7.70 2ktaA2 MET 10 H 0.04 0.20 -0.15 -0.55 8.47 8.01 2ktaA2 MET 10 HA -0.45 0.08 0.42 -0.75 4.52 3.82 2ktaA2 MET 10 HB2 -0.05 0.15 0.16 -0.04 2.15 2.37 2ktaA2 MET 10 HB3 -0.10 0.03 0.04 -0.04 2.03 1.96 2ktaA2 MET 10 HG2 -0.06 -0.10 0.08 -0.04 2.63 2.50 2ktaA2 MET 10 HG3 -0.04 0.04 0.07 -0.04 2.56 2.59 2ktaA2 MET 10 HE3 -0.66 -0.01 -0.07 -0.04 2.10 1.32 2ktaA2 LYS 11 H -0.01 0.26 -0.24 -0.55 8.42 7.87 2ktaA2 LYS 11 HA -0.05 0.08 0.39 -0.75 4.32 3.99 2ktaA2 LYS 11 HB2 0.01 0.02 0.12 -0.04 1.87 1.97 2ktaA2 LYS 11 HB3 0.01 0.08 0.10 -0.04 1.79 1.95 2ktaA2 LYS 11 HG2 -0.02 0.02 0.04 -0.04 1.46 1.46 2ktaA2 LYS 11 HG3 0.00 0.01 -0.00 -0.04 1.46 1.43 2ktaA2 LYS 11 HD2 -0.00 0.03 -0.03 -0.04 1.69 1.65 2ktaA2 LYS 11 HD3 0.00 -0.03 -0.06 -0.04 1.68 1.55 2ktaA2 LYS 11 HE2 -0.04 -0.01 -0.43 -0.04 2.99 2.47 2ktaA2 LYS 11 HE3 -0.03 0.03 -0.02 -0.04 2.99 2.93 2ktaA2 ASN 12 H 0.03 0.72 -0.12 -0.55 8.53 8.61 2ktaA2 ASN 12 HA -0.15 -0.05 0.40 -0.75 4.76 4.20 2ktaA2 ASN 12 HB2 0.31 0.12 0.25 -0.04 2.88 3.51 2ktaA2 ASN 12 HB3 -0.11 0.00 -0.06 -0.04 2.79 2.58 2ktaA2 ASN 12 HD21 0.19 0.53 0.01 -0.04 7.03 7.72 2ktaA2 ASN 12 HD22 0.13 -0.13 -0.03 -0.04 7.74 7.67 2ktaA2 TYR 13 H -0.26 0.59 -0.26 -0.55 8.29 7.80 2ktaA2 TYR 13 HA -0.48 0.03 0.34 -0.75 4.56 3.70 2ktaA2 TYR 13 HB2 -1.29 0.03 0.09 -0.04 3.06 1.85 2ktaA2 TYR 13 HB3 -0.55 0.09 0.18 -0.04 2.98 2.66 2ktaA2 TYR 13 HD2 -0.29 -0.01 -0.05 -0.04 7.15 6.76 2ktaA2 TYR 13 HE2 -0.05 0.01 -0.07 -0.04 6.85 6.69 2ktaA2 GLU 14 H -0.15 0.65 -0.03 -0.55 8.60 8.52 2ktaA2 GLU 14 HA -0.25 0.04 0.40 -0.75 4.29 3.74 2ktaA2 GLU 14 HB2 -0.09 0.05 0.13 -0.04 2.09 2.14 2ktaA2 GLU 14 HB3 -0.09 -0.02 0.05 -0.04 1.99 1.89 2ktaA2 GLU 14 HG2 -0.06 0.27 0.12 -0.04 2.34 2.63 2ktaA2 GLU 14 HG3 -0.05 -0.04 0.01 -0.04 2.34 2.21 2ktaA2 GLU 15 H -0.16 0.56 -0.26 -0.55 8.60 8.19 2ktaA2 GLU 15 HA -0.04 0.04 0.48 -0.75 4.29 4.01 2ktaA2 GLU 15 HB2 -0.07 0.08 0.11 -0.04 2.09 2.17 2ktaA2 GLU 15 HB3 -0.17 0.08 0.15 -0.04 1.99 2.01 2ktaA2 GLU 15 HG2 -0.02 -0.13 -0.00 -0.04 2.34 2.15 2ktaA2 GLU 15 HG3 0.14 -0.01 -0.08 -0.04 2.34 2.35 2ktaA2 LEU 16 H -0.32 0.68 -0.11 -0.55 8.37 8.08 2ktaA2 LEU 16 HA -0.20 -0.02 0.43 -0.75 4.35 3.81 2ktaA2 LEU 16 HB2 -0.77 -0.03 0.08 -0.04 1.64 0.88 2ktaA2 LEU 16 HB3 -0.53 0.13 0.14 -0.04 1.64 1.34 2ktaA2 LEU 16 HG -0.27 0.02 -0.23 -0.04 1.64 1.12 2ktaA2 LEU 16 HD13 -0.46 -0.02 -0.06 -0.04 0.93 0.34 2ktaA2 LEU 16 HD23 -0.87 -0.00 -0.08 -0.04 0.89 -0.10 2ktaA2 LYS 17 H -0.36 0.69 -0.09 -0.55 8.42 8.10 2ktaA2 LYS 17 HA -0.19 0.05 0.47 -0.75 4.32 3.91 2ktaA2 LYS 17 HB2 -0.23 0.15 0.19 -0.04 1.87 1.93 2ktaA2 LYS 17 HB3 -0.19 0.01 0.02 -0.04 1.79 1.58 2ktaA2 LYS 17 HG2 -0.51 -0.01 0.01 -0.04 1.46 0.91 2ktaA2 LYS 17 HG3 -0.82 0.30 0.05 -0.04 1.46 0.94 2ktaA2 LYS 17 HD2 -0.59 -0.06 -0.13 -0.04 1.69 0.87 2ktaA2 LYS 17 HD3 -0.30 -0.08 -0.01 -0.04 1.68 1.25 2ktaA2 LYS 17 HE2 -0.14 0.03 -0.00 -0.04 2.99 2.83 2ktaA2 LYS 17 HE3 -0.14 0.03 -0.02 -0.04 2.99 2.82 2ktaA2 SER 18 H -0.11 0.54 -0.18 -0.55 8.46 8.16 2ktaA2 SER 18 HA -0.09 0.04 0.44 -0.75 4.49 4.12 2ktaA2 SER 18 HB2 -0.07 0.04 0.16 -0.04 3.95 4.04 2ktaA2 SER 18 HB3 -0.03 0.14 0.20 -0.04 3.93 4.20 2ktaA2 PHE 19 H 0.14 0.52 -0.16 -0.55 8.34 8.28 2ktaA2 PHE 19 HA 0.04 0.01 0.50 -0.75 4.62 4.42 2ktaA2 PHE 19 HB2 -0.07 0.03 0.20 -0.04 3.15 3.28 2ktaA2 PHE 19 HB3 0.11 0.04 -0.12 -0.04 3.06 3.06 2ktaA2 PHE 19 HD2 0.12 0.25 0.11 -0.04 7.28 7.72 2ktaA2 PHE 19 HE2 0.00 -0.06 0.07 -0.04 7.38 7.36 2ktaA2 PHE 19 HZ 0.04 -0.01 0.15 -0.04 7.32 7.45 2ktaA2 VAL 20 H 0.08 0.67 -0.25 -0.55 8.24 8.20 2ktaA2 VAL 20 HA 0.10 -0.19 0.54 -0.75 4.13 3.82 2ktaA2 VAL 20 HB 0.01 0.10 0.10 -0.04 2.12 2.29 2ktaA2 VAL 20 HG13 0.04 0.01 -0.50 -0.04 0.97 0.48 2ktaA2 VAL 20 HG23 0.23 -0.01 -0.25 -0.04 0.95 0.89 2ktaA2 ARG 21 H -0.05 0.66 -0.03 -0.55 8.46 8.48 2ktaA2 ARG 21 HA -0.06 0.10 0.42 -0.75 4.34 4.04 2ktaA2 ARG 21 HB2 -0.08 -0.05 0.12 -0.04 1.90 1.84 2ktaA2 ARG 21 HB3 -0.07 0.01 0.11 -0.04 1.80 1.81 2ktaA2 ARG 21 HG2 -0.09 -0.12 0.02 -0.04 1.67 1.44 2ktaA2 ARG 21 HG3 -0.10 0.14 0.25 -0.04 1.67 1.91 2ktaA2 ARG 21 HD2 -0.14 -0.08 -0.00 -0.04 3.22 2.96 2ktaA2 ARG 21 HD3 -0.17 0.10 -0.54 -0.04 3.22 2.57 2ktaA2 LYS 22 H -0.18 0.12 -0.73 -0.55 8.42 7.08 2ktaA2 LYS 22 HA -0.32 0.12 0.85 -0.75 4.32 4.21 2ktaA2 LYS 22 HB2 -0.61 0.09 0.25 -0.04 1.87 1.55 2ktaA2 LYS 22 HB3 -1.50 -0.05 0.06 -0.04 1.79 0.25 2ktaA2 LYS 22 HG2 -0.38 -0.03 0.03 -0.04 1.46 1.04 2ktaA2 LYS 22 HG3 -0.30 0.03 -0.05 -0.04 1.46 1.10 2ktaA2 LYS 22 HD2 -0.41 0.01 -0.02 -0.04 1.69 1.24 2ktaA2 LYS 22 HD3 -0.50 -0.04 0.02 -0.04 1.68 1.11 2ktaA2 LYS 22 HE2 -0.19 -0.01 0.00 -0.04 2.99 2.75 2ktaA2 LYS 22 HE3 -0.19 0.01 -0.01 -0.04 2.99 2.76 2ktaA2 TYR 23 H -0.17 0.78 0.34 -0.55 8.29 8.68 2ktaA2 TYR 23 HA -0.03 0.17 0.79 -0.75 4.56 4.73 2ktaA2 TYR 23 HB2 0.10 0.23 0.18 -0.04 3.06 3.52 2ktaA2 TYR 23 HB3 0.01 -0.07 0.15 -0.04 2.98 3.02 2ktaA2 TYR 23 HD2 -0.07 0.08 0.09 -0.04 7.15 7.20 2ktaA2 TYR 23 HE2 -0.37 -0.03 0.03 -0.04 6.85 6.43 2ktaA2 ARG 24 H 0.02 0.24 0.20 -0.55 8.46 8.38 2ktaA2 ARG 24 HA 0.01 0.05 0.44 -0.75 4.34 4.08 2ktaA2 ARG 24 HB2 -0.06 0.17 0.03 -0.04 1.90 2.00 2ktaA2 ARG 24 HB3 -0.13 -0.17 0.34 -0.04 1.80 1.79 2ktaA2 ARG 24 HG2 -0.03 -0.11 -0.01 -0.04 1.67 1.47 2ktaA2 ARG 24 HG3 -0.02 0.16 0.08 -0.04 1.67 1.84 2ktaA2 ARG 24 HD2 -0.04 0.46 -0.15 -0.04 3.22 3.45 2ktaA2 ARG 24 HD3 -0.02 -0.10 -0.52 -0.04 3.22 2.53 2ktaA2 ARG 25 H 0.21 0.25 -0.44 -0.55 8.46 7.93 2ktaA2 ARG 25 HA 0.16 0.05 0.54 -0.75 4.34 4.33 2ktaA2 ARG 25 HB2 -0.33 0.16 -0.39 -0.04 1.90 1.30 2ktaA2 ARG 25 HB3 -0.04 0.03 -0.21 -0.04 1.80 1.53 2ktaA2 ARG 25 HG2 -0.17 -0.15 -0.15 -0.04 1.67 1.16 2ktaA2 ARG 25 HG3 -0.36 0.08 0.06 -0.04 1.67 1.40 2ktaA2 ARG 25 HD2 -0.22 0.05 -0.04 -0.04 3.22 2.97 2ktaA2 ARG 25 HD3 -0.13 -0.04 -0.10 -0.04 3.22 2.91 2ktaA2 PHE 26 H 0.11 0.20 -0.03 -0.55 8.34 8.07 2ktaA2 PHE 26 HA 0.16 0.24 0.89 -0.75 4.62 5.15 2ktaA2 PHE 26 HB2 -0.48 -0.07 -0.05 -0.04 3.15 2.51 2ktaA2 PHE 26 HB3 -0.48 0.02 -0.07 -0.04 3.06 2.48 2ktaA2 PHE 26 HD2 0.01 -0.04 -0.06 -0.04 7.28 7.15 2ktaA2 PHE 26 HE2 -0.01 0.02 -0.01 -0.04 7.38 7.33 2ktaA2 PHE 26 HZ 0.25 0.03 -0.09 -0.04 7.32 7.47 2ktaA2 PRO 27 HA -0.13 0.12 0.50 -0.51 4.44 4.42 2ktaA2 PRO 27 HB2 -0.08 0.03 -0.04 -0.04 2.28 2.15 2ktaA2 PRO 27 HB3 -0.08 0.06 0.04 -0.04 2.02 1.99 2ktaA2 PRO 27 HG2 -0.17 0.00 0.05 -0.04 2.03 1.87 2ktaA2 PRO 27 HG3 -0.15 0.11 0.01 -0.04 2.03 1.96 2ktaA2 PRO 27 HD2 0.15 0.12 0.12 -0.04 3.68 4.03 2ktaA2 PRO 27 HD3 0.06 0.18 -0.37 -0.04 3.65 3.47 2ktaA2 LYS 28 H 0.05 0.18 -0.15 -0.55 8.42 7.94 2ktaA2 LYS 28 HA 0.01 0.20 0.81 -0.75 4.32 4.58 2ktaA2 LYS 28 HB2 0.01 -0.02 0.09 -0.04 1.87 1.91 2ktaA2 LYS 28 HB3 0.02 0.02 -0.07 -0.04 1.79 1.73 2ktaA2 LYS 28 HG2 -0.01 0.08 -0.09 -0.04 1.46 1.39 2ktaA2 LYS 28 HG3 -0.05 -0.07 -0.39 -0.04 1.46 0.91 2ktaA2 LYS 28 HD2 -0.06 -0.01 -0.04 -0.04 1.69 1.54 2ktaA2 LYS 28 HD3 -0.02 -0.00 -0.05 -0.04 1.68 1.58 2ktaA2 LYS 28 HE2 -0.02 0.02 -0.05 -0.04 2.99 2.89 2ktaA2 LYS 28 HE3 -0.05 0.01 -0.07 -0.04 2.99 2.84 2ktaA2 SER 29 H 0.03 0.25 -0.09 -0.55 8.46 8.10 2ktaA2 SER 29 HA -0.09 0.00 0.44 -0.75 4.49 4.09 2ktaA2 SER 29 HB2 -0.00 0.04 0.08 -0.04 3.95 4.03 2ktaA2 SER 29 HB3 -0.04 -0.16 -0.26 -0.04 3.93 3.42 2ktaA2 THR 30 H 0.13 0.26 0.26 -0.55 8.28 8.38 2ktaA2 THR 30 HA 0.07 0.12 0.38 -0.75 4.39 4.20 2ktaA2 THR 30 HB 0.15 -0.07 0.03 -0.04 4.32 4.39 2ktaA2 THR 30 HG23 0.07 0.01 0.03 -0.04 1.22 1.29 2ktaA2 GLU 31 H 0.00 0.01 -0.09 -0.55 8.60 7.98 2ktaA2 GLU 31 HA 0.02 0.28 0.76 -0.75 4.29 4.60 2ktaA2 GLU 31 HB2 -0.03 -0.19 0.09 -0.04 2.09 1.91 2ktaA2 GLU 31 HB3 0.00 -0.07 0.12 -0.04 1.99 2.01 2ktaA2 GLU 31 HG2 0.03 0.13 -0.07 -0.04 2.34 2.39 2ktaA2 GLU 31 HG3 0.05 0.02 0.01 -0.04 2.34 2.37 2ktaA2 GLY 32 H 0.02 0.26 0.17 -0.55 8.43 8.33 2ktaA2 GLY 32 HA2 0.03 0.18 0.51 -0.51 4.01 4.21 2ktaA2 GLY 32 HA3 0.03 0.13 0.33 -0.51 4.01 4.00 2ktaA2 ASN 33 H 0.01 0.05 -0.27 -0.55 8.53 7.77 2ktaA2 ASN 33 HA 0.07 0.15 0.45 -0.75 4.76 4.67 2ktaA2 ASN 33 HB2 -0.03 -0.07 0.08 -0.04 2.88 2.82 2ktaA2 ASN 33 HB3 0.04 0.08 -0.00 -0.04 2.79 2.87 2ktaA2 ASN 33 HD21 -0.00 0.02 0.00 -0.04 7.03 7.01 2ktaA2 ASN 33 HD22 0.02 0.06 0.01 -0.04 7.74 7.78 2ktaA2 LEU 34 H -0.08 0.09 -0.13 -0.55 8.37 7.69 2ktaA2 LEU 34 HA -0.17 0.11 0.46 -0.75 4.35 3.99 2ktaA2 LEU 34 HB2 -0.23 -0.04 0.06 -0.04 1.64 1.39 2ktaA2 LEU 34 HB3 -0.45 0.09 0.02 -0.04 1.64 1.26 2ktaA2 LEU 34 HG -0.30 -0.10 0.02 -0.04 1.64 1.22 2ktaA2 LEU 34 HD13 -0.63 0.01 -0.02 -0.04 0.93 0.25 2ktaA2 LEU 34 HD23 -0.87 0.04 -0.02 -0.04 0.89 -0.01 2ktaA2 GLY 35 H -0.03 0.38 -0.35 -0.55 8.43 7.88 2ktaA2 GLY 35 HA2 -0.12 0.09 0.54 -0.51 4.01 4.01 2ktaA2 GLY 35 HA3 -0.07 0.12 0.28 -0.51 4.01 3.83 2ktaA2 GLY 36 H 0.03 0.48 -0.29 -0.55 8.43 8.10 2ktaA2 GLY 36 HA2 0.10 0.05 0.52 -0.51 4.01 4.17 2ktaA2 GLY 36 HA3 0.08 0.09 0.33 -0.51 4.01 4.00 2ktaA2 TRP 37 H 0.19 0.41 -0.20 -0.55 7.97 7.82 2ktaA2 TRP 37 HA -0.07 0.00 0.46 -0.75 4.62 4.26 2ktaA2 TRP 37 HB2 -0.20 -0.03 0.24 -0.04 3.23 3.20 2ktaA2 TRP 37 HB3 -0.31 0.10 0.02 -0.04 3.23 3.00 2ktaA2 TRP 37 HD1 0.01 0.00 -0.03 -0.04 7.22 7.16 2ktaA2 TRP 37 HE1 0.45 -0.04 -0.03 -0.04 10.20 10.53 2ktaA2 TRP 37 HE3 -0.31 0.05 -0.15 -0.04 7.59 7.14 2ktaA2 TRP 37 HZ2 0.59 -0.03 -0.05 -0.04 7.44 7.91 2ktaA2 TRP 37 HZ3 -0.22 0.05 -0.08 -0.04 7.13 6.85 2ktaA2 TRP 37 HH2 0.01 0.06 -0.05 -0.04 7.19 7.18 2ktaA2 CYS 38 H 0.19 0.54 -0.23 -0.55 8.50 8.45 2ktaA2 CYS 38 HA 0.31 0.05 0.35 -0.75 4.58 4.53 2ktaA2 CYS 38 HB2 0.52 0.03 0.12 -0.04 2.97 3.60 2ktaA2 CYS 38 HB3 -0.05 0.11 0.13 -0.04 2.97 3.13 2ktaA2 HIS 39 H -0.05 0.30 -0.30 -0.55 8.41 7.82 2ktaA2 HIS 39 HA 0.03 0.08 0.38 -0.75 4.63 4.37 2ktaA2 HIS 39 HB2 0.03 -0.03 0.22 -0.04 3.26 3.45 2ktaA2 HIS 39 HB3 0.01 -0.02 0.02 -0.04 3.20 3.16 2ktaA2 HIS 39 HD2 0.04 -0.01 -0.05 -0.04 6.97 6.90 2ktaA2 HIS 39 HE1 0.03 -0.05 -0.04 -0.04 7.75 7.65 2ktaA2 THR 40 H 0.06 0.78 0.08 -0.55 8.28 8.65 2ktaA2 THR 40 HA -0.01 0.04 0.37 -0.75 4.39 4.03 2ktaA2 THR 40 HB -0.15 0.03 0.12 -0.04 4.32 4.28 2ktaA2 THR 40 HG23 -0.10 -0.02 0.01 -0.04 1.22 1.07 2ktaA2 GLN 41 H -0.12 0.48 -0.24 -0.55 8.47 8.05 2ktaA2 GLN 41 HA -0.16 -0.01 0.51 -0.75 4.36 3.94 2ktaA2 GLN 41 HB2 -0.30 0.43 0.13 -0.04 2.15 2.37 2ktaA2 GLN 41 HB3 -0.23 -0.04 0.05 -0.04 2.02 1.76 2ktaA2 GLN 41 HG2 -0.44 -0.06 0.02 -0.04 2.40 1.88 2ktaA2 GLN 41 HG3 -0.45 -0.06 -0.05 -0.04 2.39 1.79 2ktaA2 GLN 41 HE21 -0.83 -0.01 0.08 -0.04 6.97 6.17 2ktaA2 GLN 41 HE22 -2.98 -0.09 0.03 -0.04 7.69 4.61 2ktaA2 ARG 42 H 0.00 0.28 -0.56 -0.55 8.46 7.63 2ktaA2 ARG 42 HA 0.03 0.03 0.48 -0.75 4.34 4.13 2ktaA2 ARG 42 HB2 0.08 0.44 0.30 -0.04 1.90 2.68 2ktaA2 ARG 42 HB3 0.05 0.07 0.13 -0.04 1.80 2.01 2ktaA2 ARG 42 HG2 0.06 -0.04 0.02 -0.04 1.67 1.67 2ktaA2 ARG 42 HG3 0.04 -0.05 -0.00 -0.04 1.67 1.61 2ktaA2 ARG 42 HD2 0.05 -0.04 0.08 -0.04 3.22 3.27 2ktaA2 ARG 42 HD3 0.07 0.07 0.05 -0.04 3.22 3.36 2ktaA2 LYS 43 H -0.01 0.32 -0.29 -0.55 8.42 7.89 2ktaA2 LYS 43 HA -0.00 0.11 0.54 -0.75 4.32 4.22 2ktaA2 LYS 43 HB2 -0.01 0.03 0.11 -0.04 1.87 1.95 2ktaA2 LYS 43 HB3 -0.03 0.20 0.21 -0.04 1.79 2.14 2ktaA2 LYS 43 HG2 -0.03 -0.03 -0.25 -0.04 1.46 1.10 2ktaA2 LYS 43 HG3 -0.02 -0.01 -0.01 -0.04 1.46 1.39 2ktaA2 LYS 43 HD2 -0.02 0.00 0.02 -0.04 1.69 1.65 2ktaA2 LYS 43 HD3 -0.03 0.03 0.04 -0.04 1.68 1.68 2ktaA2 LYS 43 HE2 -0.03 -0.01 -0.03 -0.04 2.99 2.88 2ktaA2 LYS 43 HE3 -0.02 -0.00 -0.03 -0.04 2.99 2.90 2ktaA2 MET 44 H -0.05 0.35 0.01 -0.55 8.47 8.24 2ktaA2 MET 44 HA -0.04 0.04 0.36 -0.75 4.52 4.13 2ktaA2 MET 44 HB2 -0.10 0.08 0.05 -0.04 2.15 2.14 2ktaA2 MET 44 HB3 -0.08 -0.08 -0.22 -0.04 2.03 1.61 2ktaA2 MET 44 HG2 -0.10 0.29 0.17 -0.04 2.63 2.94 2ktaA2 MET 44 HG3 -0.13 -0.00 -0.05 -0.04 2.56 2.33 2ktaA2 MET 44 HE3 -0.07 0.04 0.03 -0.04 2.10 2.06 2ktaA2 ARG 45 H -0.02 0.61 -0.29 -0.55 8.46 8.21 2ktaA2 ARG 45 HA 0.02 -0.02 0.44 -0.75 4.34 4.03 2ktaA2 ARG 45 HB2 0.08 -0.01 0.05 -0.04 1.90 1.97 2ktaA2 ARG 45 HB3 0.04 -0.00 0.10 -0.04 1.80 1.90 2ktaA2 ARG 45 HG2 0.02 0.15 0.23 -0.04 1.67 2.02 2ktaA2 ARG 45 HG3 0.04 0.06 -0.08 -0.04 1.67 1.64 2ktaA2 ARG 45 HD2 0.09 -0.05 -0.02 -0.04 3.22 3.20 2ktaA2 ARG 45 HD3 0.05 -0.02 0.05 -0.04 3.22 3.26 2ktaA2 LYS 46 H 0.01 0.27 -0.40 -0.55 8.42 7.74 2ktaA2 LYS 46 HA 0.02 0.08 0.56 -0.75 4.32 4.22 2ktaA2 LYS 46 HB2 0.01 0.08 0.17 -0.04 1.87 2.10 2ktaA2 LYS 46 HB3 0.00 0.09 0.20 -0.04 1.79 2.05 2ktaA2 LYS 46 HG2 0.01 -0.02 0.07 -0.04 1.46 1.49 2ktaA2 LYS 46 HG3 0.01 -0.04 0.04 -0.04 1.46 1.43 2ktaA2 LYS 46 HD2 0.00 0.05 -0.47 -0.04 1.69 1.24 2ktaA2 LYS 46 HD3 0.00 -0.04 -0.05 -0.04 1.68 1.55 2ktaA2 LYS 46 HE2 0.00 -0.03 -0.01 -0.04 2.99 2.90 2ktaA2 LYS 46 HE3 -0.00 0.07 -0.03 -0.04 2.99 2.98 2ktaA2 GLN 47 H -0.01 0.47 -0.00 -0.55 8.47 8.39 2ktaA2 GLN 47 HA -0.01 0.07 0.39 -0.75 4.36 4.06 2ktaA2 GLN 47 HB2 -0.02 -0.10 0.12 -0.04 2.15 2.10 2ktaA2 GLN 47 HB3 -0.02 -0.01 -0.01 -0.04 2.02 1.94 2ktaA2 GLN 47 HG2 -0.01 -0.00 0.00 -0.04 2.40 2.35 2ktaA2 GLN 47 HG3 -0.01 0.16 0.02 -0.04 2.39 2.52 2ktaA2 GLN 47 HE21 -0.02 -0.03 -0.03 -0.04 6.97 6.86 2ktaA2 GLN 47 HE22 -0.01 0.01 -0.02 -0.04 7.69 7.63 2ktaA2 GLY 48 H -0.00 0.36 -0.28 -0.55 8.43 7.96 2ktaA2 GLY 48 HA2 -0.00 0.02 0.30 -0.51 4.01 3.82 2ktaA2 GLY 48 HA3 -0.01 0.15 0.81 -0.51 4.01 4.46 2ktaA2 LYS 49 H -0.02 0.54 0.22 -0.55 8.42 8.60 2ktaA2 LYS 49 HA -0.03 0.20 0.68 -0.75 4.32 4.42 2ktaA2 LYS 49 HB2 -0.05 -0.11 0.06 -0.04 1.87 1.74 2ktaA2 LYS 49 HB3 -0.05 -0.02 0.08 -0.04 1.79 1.75 2ktaA2 LYS 49 HG2 -0.02 0.01 -0.29 -0.04 1.46 1.12 2ktaA2 LYS 49 HG3 -0.03 -0.03 -0.05 -0.04 1.46 1.31 2ktaA2 LYS 49 HD2 -0.02 0.00 -0.07 -0.04 1.69 1.56 2ktaA2 LYS 49 HD3 -0.03 -0.05 -0.02 -0.04 1.68 1.54 2ktaA2 LYS 49 HE2 -0.03 0.05 -0.01 -0.04 2.99 2.96 2ktaA2 LYS 49 HE3 -0.02 0.11 -0.29 -0.04 2.99 2.74 2ktaA2 LEU 50 H -0.03 0.13 -0.16 -0.55 8.37 7.76 2ktaA2 LEU 50 HA -0.10 0.04 0.39 -0.75 4.35 3.94 2ktaA2 LEU 50 HB2 -0.01 0.03 -0.09 -0.04 1.64 1.53 2ktaA2 LEU 50 HB3 0.00 0.05 -0.16 -0.04 1.64 1.49 2ktaA2 LEU 50 HG -0.09 -0.11 -0.08 -0.04 1.64 1.32 2ktaA2 LEU 50 HD13 0.03 0.01 -0.03 -0.04 0.93 0.89 2ktaA2 LEU 50 HD23 -0.19 0.00 0.02 -0.04 0.89 0.68 2ktaA2 PRO 51 HA -0.03 0.17 0.52 -0.51 4.44 4.59 2ktaA2 PRO 51 HB2 -0.02 -0.22 0.05 -0.04 2.28 2.05 2ktaA2 PRO 51 HB3 -0.06 0.15 0.13 -0.04 2.02 2.20 2ktaA2 PRO 51 HG2 -0.09 -0.15 0.13 -0.04 2.03 1.88 2ktaA2 PRO 51 HG3 -0.17 0.10 0.10 -0.04 2.03 2.02 2ktaA2 PRO 51 HD2 -0.14 0.06 0.21 -0.04 3.68 3.77 2ktaA2 PRO 51 HD3 -0.14 0.25 0.23 -0.04 3.65 3.95 2ktaA2 ASN 52 H 0.01 0.23 0.18 -0.55 8.53 8.40 2ktaA2 ASN 52 HA 0.05 0.16 0.38 -0.75 4.76 4.59 2ktaA2 ASN 52 HB2 0.02 0.12 0.11 -0.04 2.88 3.08 2ktaA2 ASN 52 HB3 0.02 -0.03 0.13 -0.04 2.79 2.87 2ktaA2 ASN 52 HD21 0.04 -0.04 -0.19 -0.04 7.03 6.79 2ktaA2 ASN 52 HD22 0.04 0.04 -0.08 -0.04 7.74 7.69 2ktaA2 ASP 53 H 0.04 0.08 -0.16 -0.55 8.40 7.81 2ktaA2 ASP 53 HA 0.09 0.12 0.43 -0.75 4.63 4.51 2ktaA2 ASP 53 HB2 0.06 -0.04 0.07 -0.04 2.71 2.75 2ktaA2 ASP 53 HB3 0.10 0.06 -0.03 -0.04 2.70 2.78 2ktaA2 ARG 54 H 0.08 0.11 -0.25 -0.55 8.46 7.84 2ktaA2 ARG 54 HA 0.32 0.03 0.29 -0.75 4.34 4.22 2ktaA2 ARG 54 HB2 -0.01 -0.05 0.08 -0.04 1.90 1.88 2ktaA2 ARG 54 HB3 0.01 0.20 0.07 -0.04 1.80 2.05 2ktaA2 ARG 54 HG2 0.34 -0.04 0.01 -0.04 1.67 1.94 2ktaA2 ARG 54 HG3 -0.34 -0.01 -0.01 -0.04 1.67 1.26 2ktaA2 ARG 54 HD2 0.01 0.05 -0.20 -0.04 3.22 3.04 2ktaA2 ARG 54 HD3 0.17 -0.00 -0.46 -0.04 3.22 2.89 2ktaA2 ARG 55 H 0.15 0.29 -0.42 -0.55 8.46 7.93 2ktaA2 ARG 55 HA 0.49 0.06 0.43 -0.75 4.34 4.57 2ktaA2 ARG 55 HB2 0.20 0.03 0.04 -0.04 1.90 2.12 2ktaA2 ARG 55 HB3 0.14 0.14 0.15 -0.04 1.80 2.19 2ktaA2 ARG 55 HG2 0.20 -0.03 -0.20 -0.04 1.67 1.60 2ktaA2 ARG 55 HG3 0.06 0.01 -0.01 -0.04 1.67 1.69 2ktaA2 ARG 55 HD2 -0.01 -0.01 -0.02 -0.04 3.22 3.14 2ktaA2 ARG 55 HD3 0.00 -0.01 -0.05 -0.04 3.22 3.13 2ktaA2 LEU 56 H 0.17 0.58 -0.06 -0.55 8.37 8.51 2ktaA2 LEU 56 HA 0.18 0.04 0.37 -0.75 4.35 4.18 2ktaA2 LEU 56 HB2 0.10 0.12 0.15 -0.04 1.64 1.97 2ktaA2 LEU 56 HB3 0.12 0.01 0.11 -0.04 1.64 1.84 2ktaA2 LEU 56 HG 0.09 0.01 0.04 -0.04 1.64 1.73 2ktaA2 LEU 56 HD13 0.06 -0.01 -0.02 -0.04 0.93 0.92 2ktaA2 LEU 56 HD23 0.10 -0.02 -0.09 -0.04 0.89 0.84 2ktaA2 LEU 57 H 0.21 0.74 -0.11 -0.55 8.37 8.67 2ktaA2 LEU 57 HA 0.22 0.01 0.34 -0.75 4.35 4.17 2ktaA2 LEU 57 HB2 0.36 0.14 0.07 -0.04 1.64 2.17 2ktaA2 LEU 57 HB3 0.55 -0.05 -0.02 -0.04 1.64 2.08 2ktaA2 LEU 57 HG 0.19 0.39 -0.08 -0.04 1.64 2.09 2ktaA2 LEU 57 HD13 0.14 -0.04 -0.11 -0.04 0.93 0.88 2ktaA2 LEU 57 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.83 2ktaA2 LEU 58 H 0.27 0.40 -0.41 -0.55 8.37 8.08 2ktaA2 LEU 58 HA 0.10 -0.00 0.40 -0.75 4.35 4.09 2ktaA2 LEU 58 HB2 0.38 0.25 0.17 -0.04 1.64 2.40 2ktaA2 LEU 58 HB3 -0.07 -0.03 0.01 -0.04 1.64 1.51 2ktaA2 LEU 58 HG 0.15 0.37 0.15 -0.04 1.64 2.27 2ktaA2 LEU 58 HD13 -0.60 -0.02 -0.03 -0.04 0.93 0.23 2ktaA2 LEU 58 HD23 -0.33 -0.04 -0.05 -0.04 0.89 0.43 2ktaA2 ASP 59 H 0.35 0.38 -0.12 -0.55 8.40 8.47 2ktaA2 ASP 59 HA 0.32 0.09 0.47 -0.75 4.63 4.75 2ktaA2 ASP 59 HB2 0.31 -0.01 0.12 -0.04 2.71 3.09 2ktaA2 ASP 59 HB3 0.21 0.10 0.17 -0.04 2.70 3.14 2ktaA2 LYS 60 H 0.18 0.40 -0.31 -0.55 8.42 8.14 2ktaA2 LYS 60 HA 0.10 0.03 0.31 -0.75 4.32 4.00 2ktaA2 LYS 60 HB2 0.13 0.02 0.04 -0.04 1.87 2.02 2ktaA2 LYS 60 HB3 0.16 0.11 0.13 -0.04 1.79 2.14 2ktaA2 LYS 60 HG2 0.08 0.03 0.02 -0.04 1.46 1.55 2ktaA2 LYS 60 HG3 0.09 -0.06 -0.01 -0.04 1.46 1.44 2ktaA2 LYS 60 HD2 0.10 -0.05 -0.05 -0.04 1.69 1.65 2ktaA2 LYS 60 HD3 0.16 -0.05 -0.03 -0.04 1.68 1.72 2ktaA2 LYS 60 HE2 0.19 -0.07 -0.09 -0.04 2.99 2.98 2ktaA2 LYS 60 HE3 0.10 0.16 -0.45 -0.04 2.99 2.76 2ktaA2 ILE 61 H 0.12 0.39 -0.15 -0.55 8.25 8.06 2ktaA2 ILE 61 HA 0.02 0.09 0.72 -0.75 4.18 4.25 2ktaA2 ILE 61 HB -0.05 -0.02 0.04 -0.04 1.89 1.81 2ktaA2 ILE 61 HG12 0.07 0.28 0.22 -0.04 1.49 2.01 2ktaA2 ILE 61 HG13 0.09 0.02 -0.05 -0.04 1.21 1.23 2ktaA2 ILE 61 HG23 -0.16 -0.02 -0.01 -0.04 0.93 0.71 2ktaA2 ILE 61 HD13 -0.14 -0.04 -0.15 -0.04 0.88 0.51 2ktaA2 GLY 62 H 0.13 0.28 -0.16 -0.55 8.43 8.14 2ktaA2 GLY 62 HA2 0.10 0.06 0.23 -0.51 4.01 3.89 2ktaA2 GLY 62 HA3 0.05 0.16 0.83 -0.51 4.01 4.54 2ktaA2 PHE 63 H 0.23 0.63 0.22 -0.55 8.34 8.87 2ktaA2 PHE 63 HA -0.03 0.16 0.56 -0.75 4.62 4.54 2ktaA2 PHE 63 HB2 -0.06 -0.06 0.07 -0.04 3.15 3.06 2ktaA2 PHE 63 HB3 -0.12 -0.12 -0.02 -0.04 3.06 2.77 2ktaA2 PHE 63 HD2 -0.64 -0.06 -0.27 -0.04 7.28 6.26 2ktaA2 PHE 63 HE2 -0.29 -0.15 -0.05 -0.04 7.38 6.85 2ktaA2 PHE 63 HZ -0.20 -0.06 -0.00 -0.04 7.32 7.02 2ktaA2 VAL 64 H -0.70 0.74 0.38 -0.55 8.24 8.11 2ktaA2 VAL 64 HA -0.04 0.10 0.73 -0.75 4.13 4.17 2ktaA2 VAL 64 HB -0.13 0.10 0.08 -0.04 2.12 2.13 2ktaA2 VAL 64 HG13 -0.31 0.06 0.07 -0.04 0.97 0.75 2ktaA2 VAL 64 HG23 -0.05 -0.07 -0.14 -0.04 0.95 0.64 2ktaA2 TRP 65 H 0.28 0.26 0.07 -0.55 7.97 8.03 2ktaA2 TRP 65 HA 0.07 0.14 0.60 -0.75 4.62 4.68 2ktaA2 TRP 65 HB2 -0.00 0.22 0.22 -0.04 3.23 3.62 2ktaA2 TRP 65 HB3 0.06 -0.04 0.24 -0.04 3.23 3.45 2ktaA2 TRP 65 HD1 0.09 0.08 0.05 -0.04 7.22 7.39 2ktaA2 TRP 65 HE1 0.20 -0.02 -0.07 -0.04 10.20 10.27 2ktaA2 TRP 65 HE3 0.14 0.00 0.02 -0.04 7.59 7.71 2ktaA2 TRP 65 HZ2 0.13 0.12 0.08 -0.04 7.44 7.72 2ktaA2 TRP 65 HZ3 0.09 -0.01 -0.02 -0.04 7.13 7.15 2ktaA2 TRP 65 HH2 0.07 -0.07 -0.01 -0.04 7.19 7.14 2ktaA2 SER 66 H -0.08 0.20 -0.90 -0.55 8.46 7.15 2ktaA2 SER 66 HA -0.03 0.03 0.29 -0.75 4.49 4.02 2ktaA2 SER 66 HB2 0.06 0.22 0.37 -0.04 3.95 4.57 2ktaA2 SER 66 HB3 0.01 -0.05 0.05 -0.04 3.93 3.91 2ktaA2 LEU 67 H 0.09 0.64 -0.60 -0.55 8.37 7.95 2ktaA2 LEU 67 HA -0.01 0.15 0.79 -0.75 4.35 4.53 2ktaA2 LEU 67 HB2 -0.06 -0.08 -0.01 -0.04 1.64 1.45 2ktaA2 LEU 67 HB3 -0.01 0.01 -0.12 -0.04 1.64 1.49 2ktaA2 LEU 67 HG -0.05 0.08 -0.28 -0.04 1.64 1.35 2ktaA2 LEU 67 HD13 -0.03 -0.02 -0.11 -0.04 0.93 0.73 2ktaA2 LEU 67 HD23 0.05 0.06 0.05 -0.04 0.89 1.01 2ktaA2 GLU 68 H -0.06 0.11 0.05 -0.55 8.60 8.15 2ktaA2 GLU 68 HA -0.16 0.23 0.92 -0.75 4.29 4.53 2ktaA2 GLU 68 HB2 -0.00 0.07 0.02 -0.04 2.09 2.13 2ktaA2 GLU 68 HB3 -0.01 -0.09 0.23 -0.04 1.99 2.08 2ktaA2 GLU 68 HG2 -0.05 0.04 -0.21 -0.04 2.34 2.07 2ktaA2 GLU 68 HG3 0.01 0.07 -0.00 -0.04 2.34 2.37 2ktaA2 HIS 69 H -0.01 0.17 0.22 -0.55 8.41 8.25 2ktaA2 HIS 69 HA -0.06 0.20 0.49 -0.75 4.63 4.50 2ktaA2 HIS 69 HB2 0.06 -0.07 -0.08 -0.04 3.26 3.13 2ktaA2 HIS 69 HB3 0.08 -0.08 0.09 -0.04 3.20 3.24 2ktaA2 HIS 69 HD2 -0.06 -0.05 -0.15 -0.04 6.97 6.67 2ktaA2 HIS 69 HE1 -0.04 -0.02 0.01 -0.04 7.75 7.65 2ktaA2 HIS 70 H 0.26 0.23 0.03 -0.55 8.41 8.38 2ktaA2 HIS 70 HA 0.11 0.13 0.86 -0.75 4.63 4.98 2ktaA2 HIS 70 HB2 0.04 -0.01 0.18 -0.04 3.26 3.43 2ktaA2 HIS 70 HB3 0.00 0.11 0.13 -0.04 3.20 3.39 2ktaA2 HIS 70 HD2 0.07 -0.02 -0.01 -0.04 6.97 6.96 2ktaA2 HIS 70 HE1 0.04 -0.03 -0.03 -0.04 7.75 7.68 2ktaA2 HIS 71 H 0.24 0.20 -0.50 -0.55 8.41 7.81 2ktaA2 HIS 71 HA 0.09 0.18 0.38 -0.75 4.63 4.53 2ktaA2 HIS 71 HB2 0.14 -0.03 -0.06 -0.04 3.26 3.27 2ktaA2 HIS 71 HB3 0.14 -0.04 0.05 -0.04 3.20 3.31 2ktaA2 HIS 71 HD2 0.02 -0.00 -0.03 -0.04 6.97 6.92 2ktaA2 HIS 71 HE1 0.02 0.01 -0.05 -0.04 7.75 7.69 2ktaA2 HIS 72 H 0.27 0.06 -0.08 -0.55 8.41 8.11 2ktaA2 HIS 72 HA -0.01 0.27 0.91 -0.75 4.63 5.04 2ktaA2 HIS 72 HB2 0.01 0.03 -0.14 -0.04 3.26 3.12 2ktaA2 HIS 72 HB3 0.14 -0.02 0.14 -0.04 3.20 3.42 2ktaA2 HIS 72 HD2 -0.02 0.03 0.01 -0.04 6.97 6.95 2ktaA2 HIS 72 HE1 0.06 -0.00 0.00 -0.04 7.75 7.77 2ktaA2 HIS 73 H 0.06 0.25 -0.36 -0.55 8.41 7.82 2ktaA2 HIS 73 HA -0.10 0.07 0.18 -0.75 4.63 4.03 2ktaA2 HIS 73 HB2 -0.01 0.43 0.55 -0.04 3.26 4.19 2ktaA2 HIS 73 HB3 0.06 -0.31 0.14 -0.04 3.20 3.05 2ktaA2 HIS 73 HD2 0.06 -0.08 -0.08 -0.04 6.97 6.83 2ktaA2 HIS 73 HE1 -0.03 0.00 -0.00 -0.04 7.75 7.68 2ktaA2 HIS 74 H 0.30 0.11 -0.03 -0.55 8.41 8.25 2ktaA2 HIS 74 HA 0.08 0.14 0.26 -0.75 4.63 4.36 2ktaA2 HIS 74 HB2 -0.04 -0.01 -0.47 -0.04 3.26 2.70 2ktaA2 HIS 74 HB3 0.09 0.01 0.00 -0.04 3.20 3.26 2ktaA2 HIS 74 HD2 0.01 -0.02 0.02 -0.04 6.97 6.93 2ktaA2 HIS 74 HE1 -0.05 -0.02 0.03 -0.04 7.75 7.67