============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 7 0.840 88.349 68.743 13.547 -99.200 -91.000 TYR 8 0.840 87.074 69.293 18.076 -99.200 -91.000 HIS 13 0.900 95.705 77.675 21.016 -99.200 -91.000 TYR 18 0.840 91.952 80.477 25.100 -99.200 -91.000 TYR 22 0.840 80.562 82.299 33.583 -99.200 -91.000 PHE 28 1.000 88.453 79.237 37.438 -99.200 -91.000 TYR 33 0.840 98.273 73.739 28.688 -99.200 -91.000 TRP 34 1.040 91.487 71.785 22.808 -99.200 -91.000 TRP6 34 1.020 89.752 70.145 23.028 -99.200 -91.000 TYR 35 0.840 100.285 67.987 19.046 -99.200 -91.000 HIS 36 0.900 102.199 69.438 24.367 -99.200 -91.000 PHE 44 1.000 87.657 71.064 32.391 -99.200 -91.000 TYR 45 0.840 84.570 72.381 24.243 -99.200 -91.000 PHE 52 1.000 80.096 65.058 35.352 -99.200 -91.000 TYR 53 0.840 83.546 69.137 35.207 -99.200 -91.000 PHE 58 1.000 86.364 74.595 42.566 -99.200 -91.000 HIS 59 0.900 86.477 66.750 45.913 -99.200 -91.000 PHE 65 1.000 98.689 68.978 47.041 -99.200 -91.000 TYR 83 0.840 87.146 59.773 26.432 -99.200 -91.000 TYR 86 0.840 88.199 54.557 37.303 -99.200 -91.000 PHE 87 1.000 89.991 60.309 30.565 -99.200 -91.000 HIS 97 0.900 101.614 68.404 37.833 -99.200 -91.000 PHE 117 1.000 88.498 70.435 37.623 -99.200 -91.000 PHE 118 1.000 95.047 67.074 41.763 -99.200 -91.000 HIS 126 0.900 103.978 66.171 45.454 -99.200 -91.000 HIS 131 0.900 97.954 63.378 40.079 -99.200 -91.000 PHE 134 1.000 92.504 69.107 32.446 -99.200 -91.000 PHE 160 1.000 82.160 80.111 52.457 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b71A1 LEU 23 HA 0.04 -0.07 0.24 -0.75 4.35 3.80 2b71A1 LEU 23 HB2 0.04 0.05 0.08 -0.04 1.64 1.76 2b71A1 LEU 23 HB3 0.03 0.05 0.06 -0.04 1.64 1.74 2b71A1 LEU 23 HG 0.05 0.08 -0.03 -0.04 1.64 1.70 2b71A1 LEU 23 HD13 0.16 -0.02 -0.33 -0.04 0.93 0.71 2b71A1 LEU 23 HD23 0.04 0.02 -0.03 -0.04 0.89 0.87 2b71A1 GLU 24 H 0.03 0.27 0.14 -0.55 8.60 8.49 2b71A1 GLU 24 HA 0.05 0.17 0.96 -0.75 4.29 4.71 2b71A1 GLU 24 HB2 0.01 0.02 0.17 -0.04 2.09 2.25 2b71A1 GLU 24 HB3 0.01 0.06 0.16 -0.04 1.99 2.18 2b71A1 GLU 24 HG2 0.01 -0.03 -0.06 -0.04 2.34 2.22 2b71A1 GLU 24 HG3 0.01 0.00 -0.14 -0.04 2.34 2.17 2b71A1 GLU 25 H 0.02 0.29 0.01 -0.55 8.60 8.37 2b71A1 GLU 25 HA 0.02 0.14 0.68 -0.75 4.29 4.38 2b71A1 GLU 25 HB2 -0.01 0.08 0.03 -0.04 2.09 2.15 2b71A1 GLU 25 HB3 -0.02 0.03 0.01 -0.04 1.99 1.97 2b71A1 GLU 25 HG2 0.00 0.02 0.03 -0.04 2.34 2.35 2b71A1 GLU 25 HG3 0.00 -0.05 0.05 -0.04 2.34 2.30 2b71A1 LYS 26 H 0.05 0.08 -0.34 -0.55 8.42 7.66 2b71A1 LYS 26 HA 0.00 0.09 0.37 -0.75 4.32 4.04 2b71A1 LYS 26 HB2 0.06 0.00 0.11 -0.04 1.87 2.00 2b71A1 LYS 26 HB3 0.13 0.15 0.07 -0.04 1.79 2.10 2b71A1 LYS 26 HG2 0.34 -0.03 -0.01 -0.04 1.46 1.73 2b71A1 LYS 26 HG3 0.09 0.00 0.02 -0.04 1.46 1.53 2b71A1 LYS 26 HD2 0.07 0.02 0.01 -0.04 1.69 1.74 2b71A1 LYS 26 HD3 0.10 0.03 -0.01 -0.04 1.68 1.76 2b71A1 LYS 26 HE2 0.13 -0.01 -0.03 -0.04 2.99 3.04 2b71A1 LYS 26 HE3 0.22 -0.01 -0.02 -0.04 2.99 3.14 2b71A1 ILE 27 H 0.11 0.27 -0.35 -0.55 8.25 7.74 2b71A1 ILE 27 HA 0.23 0.07 0.31 -0.75 4.18 4.04 2b71A1 ILE 27 HB 0.07 0.07 0.10 -0.04 1.89 2.09 2b71A1 ILE 27 HG12 0.18 -0.01 -0.01 -0.04 1.49 1.61 2b71A1 ILE 27 HG13 0.17 0.15 0.12 -0.04 1.21 1.60 2b71A1 ILE 27 HG23 0.07 -0.01 -0.23 -0.04 0.93 0.72 2b71A1 ILE 27 HD13 -0.02 -0.02 0.07 -0.04 0.88 0.87 2b71A1 ALA 28 H 0.06 0.41 -0.33 -0.55 8.40 7.99 2b71A1 ALA 28 HA 0.02 0.04 0.26 -0.75 4.34 3.91 2b71A1 ALA 28 HB3 0.02 0.02 0.10 -0.04 1.41 1.51 2b71A1 TYR 29 H 0.09 0.43 -0.41 -0.55 8.29 7.85 2b71A1 TYR 29 HA -0.16 0.04 0.44 -0.75 4.56 4.13 2b71A1 TYR 29 HB2 -0.21 0.06 0.10 -0.04 3.06 2.97 2b71A1 TYR 29 HB3 -0.41 0.10 0.16 -0.04 2.98 2.79 2b71A1 TYR 29 HD2 -1.18 0.02 -0.10 -0.04 7.15 5.86 2b71A1 TYR 29 HE2 -0.37 0.01 -0.07 -0.04 6.85 6.39 2b71A1 TYR 30 H 0.04 0.65 -0.03 -0.55 8.29 8.40 2b71A1 TYR 30 HA -0.41 -0.08 0.35 -0.75 4.56 3.66 2b71A1 TYR 30 HB2 -0.10 0.15 0.08 -0.04 3.06 3.15 2b71A1 TYR 30 HB3 -1.23 -0.04 0.03 -0.04 2.98 1.70 2b71A1 TYR 30 HD2 -0.32 -0.00 -0.10 -0.04 7.15 6.69 2b71A1 TYR 30 HE2 -0.07 0.00 -0.09 -0.04 6.85 6.65 2b71A1 LYS 31 H 0.09 0.51 -0.33 -0.55 8.42 8.14 2b71A1 LYS 31 HA 0.20 0.09 0.26 -0.75 4.32 4.13 2b71A1 LYS 31 HB2 0.04 0.03 0.06 -0.04 1.87 1.95 2b71A1 LYS 31 HB3 -0.01 0.19 0.05 -0.04 1.79 1.98 2b71A1 LYS 31 HG2 -0.26 -0.08 -0.13 -0.04 1.46 0.95 2b71A1 LYS 31 HG3 -0.23 0.19 0.10 -0.04 1.46 1.48 2b71A1 LYS 31 HD2 -0.12 -0.08 0.01 -0.04 1.69 1.46 2b71A1 LYS 31 HD3 -0.12 -0.02 0.01 -0.04 1.68 1.50 2b71A1 LYS 31 HE2 -1.22 -0.07 0.02 -0.04 2.99 1.68 2b71A1 LYS 31 HE3 -0.62 0.29 0.11 -0.04 2.99 2.73 2b71A1 MET 32 H -0.10 0.40 -0.24 -0.55 8.47 7.98 2b71A1 MET 32 HA 0.08 0.08 0.68 -0.75 4.52 4.61 2b71A1 MET 32 HB2 -0.24 0.15 0.20 -0.04 2.15 2.21 2b71A1 MET 32 HB3 -0.11 -0.06 0.03 -0.04 2.03 1.84 2b71A1 MET 32 HG2 0.00 0.08 0.05 -0.04 2.63 2.72 2b71A1 MET 32 HG3 -0.04 -0.03 0.04 -0.04 2.56 2.50 2b71A1 MET 32 HE3 -0.01 -0.01 0.02 -0.04 2.10 2.05 2b71A1 LYS 33 H -0.40 0.51 0.11 -0.55 8.42 8.09 2b71A1 LYS 33 HA -0.21 0.14 0.46 -0.75 4.32 3.96 2b71A1 LYS 33 HB2 -0.88 0.03 -0.07 -0.04 1.87 0.91 2b71A1 LYS 33 HB3 -0.34 -0.04 0.04 -0.04 1.79 1.41 2b71A1 LYS 33 HG2 -1.09 0.12 0.01 -0.04 1.46 0.45 2b71A1 LYS 33 HG3 -0.96 -0.01 -0.03 -0.04 1.46 0.41 2b71A1 LYS 33 HD2 -0.25 0.02 -0.33 -0.04 1.69 1.09 2b71A1 LYS 33 HD3 -0.27 0.01 -0.07 -0.04 1.68 1.31 2b71A1 LYS 33 HE2 -0.14 0.00 -0.03 -0.04 2.99 2.79 2b71A1 LYS 33 HE3 -0.16 -0.05 0.01 -0.04 2.99 2.75 2b71A1 GLY 34 H -0.27 0.53 -0.19 -0.55 8.43 7.95 2b71A1 GLY 34 HA2 -1.13 -0.00 0.25 -0.51 4.01 2.62 2b71A1 GLY 34 HA3 -1.49 0.19 0.28 -0.51 4.01 2.49 2b71A1 HIS 35 H 0.09 0.20 -0.25 -0.55 8.41 7.91 2b71A1 HIS 35 HA 0.19 0.09 0.25 -0.75 4.63 4.41 2b71A1 HIS 35 HB2 0.16 -0.05 0.11 -0.04 3.26 3.44 2b71A1 HIS 35 HB3 0.05 0.04 0.06 -0.04 3.20 3.31 2b71A1 HIS 35 HD2 0.05 0.01 -0.05 -0.04 6.97 6.93 2b71A1 HIS 35 HE1 0.21 -0.01 0.02 -0.04 7.75 7.93 2b71A1 THR 36 H -0.04 0.16 -0.26 -0.55 8.28 7.59 2b71A1 THR 36 HA -0.13 0.16 0.76 -0.75 4.39 4.43 2b71A1 THR 36 HB -0.04 0.00 0.08 -0.04 4.32 4.32 2b71A1 THR 36 HG23 -0.02 -0.01 -0.03 -0.04 1.22 1.12 2b71A1 GLU 37 H -0.11 0.66 0.07 -0.55 8.60 8.67 2b71A1 GLU 37 HA -0.01 0.19 0.94 -0.75 4.29 4.66 2b71A1 GLU 37 HB2 0.02 -0.01 -0.06 -0.04 2.09 2.00 2b71A1 GLU 37 HB3 0.05 -0.03 0.07 -0.04 1.99 2.03 2b71A1 GLU 37 HG2 0.01 0.02 -0.08 -0.04 2.34 2.25 2b71A1 GLU 37 HG3 -0.05 0.02 -0.02 -0.04 2.34 2.24 2b71A1 ARG 38 H -0.16 0.60 -0.09 -0.55 8.46 8.26 2b71A1 ARG 38 HA 0.07 0.08 0.51 -0.75 4.34 4.24 2b71A1 ARG 38 HB2 -0.47 -0.04 0.17 -0.04 1.90 1.52 2b71A1 ARG 38 HB3 -0.25 0.07 0.12 -0.04 1.80 1.70 2b71A1 ARG 38 HG2 -0.54 -0.05 -0.39 -0.04 1.67 0.65 2b71A1 ARG 38 HG3 -1.07 0.01 0.00 -0.04 1.67 0.58 2b71A1 ARG 38 HD2 -2.16 -0.07 -0.06 -0.04 3.22 0.89 2b71A1 ARG 38 HD3 -1.65 0.00 -0.02 -0.04 3.22 1.51 2b71A1 GLY 39 H 0.12 0.16 -0.02 -0.55 8.43 8.14 2b71A1 GLY 39 HA2 0.26 0.02 0.33 -0.51 4.01 4.12 2b71A1 GLY 39 HA3 -0.09 0.19 0.41 -0.51 4.01 4.00 2b71A1 TYR 40 H 0.28 0.19 -0.05 -0.55 8.29 8.16 2b71A1 TYR 40 HA 0.15 0.35 1.14 -0.75 4.56 5.44 2b71A1 TYR 40 HB2 0.10 -0.03 0.00 -0.04 3.06 3.08 2b71A1 TYR 40 HB3 0.08 -0.00 0.00 -0.04 2.98 3.02 2b71A1 TYR 40 HD2 0.08 -0.01 -0.14 -0.04 7.15 7.05 2b71A1 TYR 40 HE2 0.05 0.01 -0.02 -0.04 6.85 6.85 2b71A1 ILE 41 H 0.18 0.50 0.35 -0.55 8.25 8.74 2b71A1 ILE 41 HA 0.13 0.31 0.82 -0.75 4.18 4.68 2b71A1 ILE 41 HB 0.16 -0.11 0.06 -0.04 1.89 1.96 2b71A1 ILE 41 HG12 0.09 0.07 -0.01 -0.04 1.49 1.59 2b71A1 ILE 41 HG13 0.28 -0.03 -0.56 -0.04 1.21 0.86 2b71A1 ILE 41 HG23 -0.02 0.02 -0.11 -0.04 0.93 0.78 2b71A1 ILE 41 HD13 0.22 -0.02 -0.13 -0.04 0.88 0.91 2b71A1 THR 42 H 0.04 0.68 0.32 -0.55 8.28 8.77 2b71A1 THR 42 HA -0.15 0.21 1.11 -0.75 4.39 4.80 2b71A1 THR 42 HB -0.04 -0.06 0.13 -0.04 4.32 4.31 2b71A1 THR 42 HG23 -0.69 0.00 -0.20 -0.04 1.22 0.29 2b71A1 ILE 43 H -0.52 0.73 0.35 -0.55 8.25 8.25 2b71A1 ILE 43 HA -0.15 0.19 0.92 -0.75 4.18 4.38 2b71A1 ILE 43 HB -1.37 -0.07 0.06 -0.04 1.89 0.47 2b71A1 ILE 43 HG12 -0.27 -0.12 -0.38 -0.04 1.49 0.68 2b71A1 ILE 43 HG13 -0.55 -0.02 -0.13 -0.04 1.21 0.47 2b71A1 ILE 43 HG23 -0.02 0.01 -0.14 -0.04 0.93 0.74 2b71A1 ILE 43 HD13 0.06 0.01 -0.16 -0.04 0.88 0.75 2b71A1 TYR 44 H 0.18 0.78 0.36 -0.55 8.29 9.07 2b71A1 TYR 44 HA -0.01 0.11 0.92 -0.75 4.56 4.82 2b71A1 TYR 44 HB2 -0.00 -0.12 0.19 -0.04 3.06 3.09 2b71A1 TYR 44 HB3 0.01 0.04 0.04 -0.04 2.98 3.03 2b71A1 TYR 44 HD2 -0.01 0.16 -0.12 -0.04 7.15 7.14 2b71A1 TYR 44 HE2 -0.01 -0.01 -0.17 -0.04 6.85 6.63 2b71A1 THR 45 H 0.15 0.60 0.31 -0.55 8.28 8.78 2b71A1 THR 45 HA 0.17 0.25 1.26 -0.75 4.39 5.32 2b71A1 THR 45 HB 0.31 0.01 0.09 -0.04 4.32 4.70 2b71A1 THR 45 HG23 0.41 0.01 -0.24 -0.04 1.22 1.35 2b71A1 ASN 46 H 0.16 0.32 0.28 -0.55 8.53 8.75 2b71A1 ASN 46 HA 0.10 0.12 0.58 -0.75 4.76 4.80 2b71A1 ASN 46 HB2 0.09 0.03 0.18 -0.04 2.88 3.15 2b71A1 ASN 46 HB3 0.10 0.01 0.13 -0.04 2.79 2.98 2b71A1 ASN 46 HD21 0.24 0.40 0.17 -0.04 7.03 7.79 2b71A1 ASN 46 HD22 0.14 -0.04 0.04 -0.04 7.74 7.85 2b71A1 LEU 47 H 0.17 0.04 -0.42 -0.55 8.37 7.60 2b71A1 LEU 47 HA 0.10 0.22 0.83 -0.75 4.35 4.75 2b71A1 LEU 47 HB2 0.13 -0.05 0.00 -0.04 1.64 1.69 2b71A1 LEU 47 HB3 0.09 -0.01 0.12 -0.04 1.64 1.80 2b71A1 LEU 47 HG 0.12 0.02 -0.01 -0.04 1.64 1.72 2b71A1 LEU 47 HD13 0.22 0.03 -0.21 -0.04 0.93 0.94 2b71A1 LEU 47 HD23 0.09 -0.01 -0.18 -0.04 0.89 0.75 2b71A1 GLY 48 H 0.12 0.37 -0.18 -0.55 8.43 8.20 2b71A1 GLY 48 HA2 0.10 0.02 0.35 -0.51 4.01 3.97 2b71A1 GLY 48 HA3 0.09 0.18 0.90 -0.51 4.01 4.67 2b71A1 ASP 49 H 0.07 0.21 0.24 -0.55 8.40 8.38 2b71A1 ASP 49 HA -0.09 0.35 1.01 -0.75 4.63 5.14 2b71A1 ASP 49 HB2 -0.06 -0.04 0.05 -0.04 2.71 2.61 2b71A1 ASP 49 HB3 -0.42 0.05 -0.02 -0.04 2.70 2.28 2b71A1 PHE 50 H -0.44 0.54 0.40 -0.55 8.34 8.30 2b71A1 PHE 50 HA -0.04 0.16 0.68 -0.75 4.62 4.67 2b71A1 PHE 50 HB2 -0.01 0.06 0.20 -0.04 3.15 3.36 2b71A1 PHE 50 HB3 -0.02 0.06 0.04 -0.04 3.06 3.10 2b71A1 PHE 50 HD2 0.01 0.01 -0.29 -0.04 7.28 6.96 2b71A1 PHE 50 HE2 0.09 0.01 -0.19 -0.04 7.38 7.25 2b71A1 PHE 50 HZ 0.25 0.01 -0.16 -0.04 7.32 7.38 2b71A1 GLU 51 H 0.20 0.41 0.37 -0.55 8.60 9.03 2b71A1 GLU 51 HA -0.01 0.33 1.22 -0.75 4.29 5.08 2b71A1 GLU 51 HB2 0.01 0.00 -0.09 -0.04 2.09 1.97 2b71A1 GLU 51 HB3 0.07 -0.12 0.09 -0.04 1.99 1.99 2b71A1 GLU 51 HG2 0.21 0.10 -0.12 -0.04 2.34 2.50 2b71A1 GLU 51 HG3 0.09 0.03 -0.13 -0.04 2.34 2.29 2b71A1 VAL 52 H 0.09 0.76 0.43 -0.55 8.24 8.97 2b71A1 VAL 52 HA 0.09 0.19 1.24 -0.75 4.13 4.90 2b71A1 VAL 52 HB -0.11 0.01 -0.01 -0.04 2.12 1.97 2b71A1 VAL 52 HG13 0.15 -0.01 -0.22 -0.04 0.97 0.84 2b71A1 VAL 52 HG23 0.08 0.03 -0.06 -0.04 0.95 0.96 2b71A1 GLU 53 H -0.04 0.57 0.38 -0.55 8.60 8.97 2b71A1 GLU 53 HA -0.28 0.31 0.97 -0.75 4.29 4.54 2b71A1 GLU 53 HB2 0.33 -0.03 0.04 -0.04 2.09 2.39 2b71A1 GLU 53 HB3 0.06 -0.06 0.17 -0.04 1.99 2.11 2b71A1 GLU 53 HG2 0.10 0.02 -0.25 -0.04 2.34 2.17 2b71A1 GLU 53 HG3 -0.14 0.09 0.06 -0.04 2.34 2.30 2b71A1 LEU 54 H -0.18 0.65 0.32 -0.55 8.37 8.61 2b71A1 LEU 54 HA -0.37 0.13 0.73 -0.75 4.35 4.08 2b71A1 LEU 54 HB2 -0.41 0.03 0.05 -0.04 1.64 1.27 2b71A1 LEU 54 HB3 -0.75 -0.02 -0.05 -0.04 1.64 0.77 2b71A1 LEU 54 HG -0.03 -0.00 -0.17 -0.04 1.64 1.40 2b71A1 LEU 54 HD13 0.14 0.06 -0.11 -0.04 0.93 0.97 2b71A1 LEU 54 HD23 -0.05 -0.01 -0.15 -0.04 0.89 0.64 2b71A1 TYR 55 H -0.25 0.75 0.21 -0.55 8.29 8.44 2b71A1 TYR 55 HA 0.01 0.10 0.66 -0.75 4.56 4.58 2b71A1 TYR 55 HB2 0.02 0.07 0.13 -0.04 3.06 3.23 2b71A1 TYR 55 HB3 0.11 -0.12 0.08 -0.04 2.98 3.02 2b71A1 TYR 55 HD2 -0.02 0.03 -0.33 -0.04 7.15 6.78 2b71A1 TYR 55 HE2 -0.05 0.01 -0.14 -0.04 6.85 6.63 2b71A1 TRP 56 H 0.29 0.38 -0.22 -0.55 7.97 7.88 2b71A1 TRP 56 HA 0.10 0.04 0.12 -0.75 4.62 4.12 2b71A1 TRP 56 HB2 0.09 -0.08 0.07 -0.04 3.23 3.27 2b71A1 TRP 56 HB3 0.08 0.22 -0.05 -0.04 3.23 3.44 2b71A1 TRP 56 HD1 0.06 0.07 -0.27 -0.04 7.22 7.04 2b71A1 TRP 56 HE1 -0.06 0.52 -0.04 -0.04 10.20 10.58 2b71A1 TRP 56 HE3 0.08 -0.03 -0.19 -0.04 7.59 7.42 2b71A1 TRP 56 HZ2 -0.49 0.10 -0.02 -0.04 7.44 6.99 2b71A1 TRP 56 HZ3 0.01 -0.03 -0.15 -0.04 7.13 6.92 2b71A1 TRP 56 HH2 -0.31 -0.01 -0.10 -0.04 7.19 6.73 2b71A1 TYR 57 H 0.28 0.04 -0.11 -0.55 8.29 7.95 2b71A1 TYR 57 HA 0.08 0.19 0.32 -0.75 4.56 4.39 2b71A1 TYR 57 HB2 -0.05 0.07 0.14 -0.04 3.06 3.18 2b71A1 TYR 57 HB3 -0.28 -0.09 0.08 -0.04 2.98 2.65 2b71A1 TYR 57 HD2 -0.19 0.05 -0.18 -0.04 7.15 6.79 2b71A1 TYR 57 HE2 0.01 -0.02 -0.05 -0.04 6.85 6.75 2b71A1 HIS 58 H 0.08 0.03 -0.23 -0.55 8.41 7.74 2b71A1 HIS 58 HA 0.05 0.06 0.35 -0.75 4.63 4.32 2b71A1 HIS 58 HB2 0.09 0.04 0.07 -0.04 3.26 3.42 2b71A1 HIS 58 HB3 0.06 -0.01 0.01 -0.04 3.20 3.21 2b71A1 HIS 58 HD2 -0.17 0.02 -0.04 -0.04 6.97 6.72 2b71A1 HIS 58 HE1 0.06 0.01 -0.03 -0.04 7.75 7.74 2b71A1 SER 59 H 0.17 0.49 -0.19 -0.55 8.46 8.38 2b71A1 SER 59 HA 0.09 0.17 0.97 -0.75 4.49 4.98 2b71A1 SER 59 HB2 0.16 0.03 0.23 -0.04 3.95 4.33 2b71A1 SER 59 HB3 0.12 -0.19 0.14 -0.04 3.93 3.96 2b71A1 PRO 60 HA 0.26 0.04 0.31 -0.51 4.44 4.55 2b71A1 PRO 60 HB2 0.16 -0.02 -0.04 -0.04 2.28 2.34 2b71A1 PRO 60 HB3 0.14 0.17 0.09 -0.04 2.02 2.38 2b71A1 PRO 60 HG2 0.03 -0.17 0.08 -0.04 2.03 1.93 2b71A1 PRO 60 HG3 -0.05 0.09 0.04 -0.04 2.03 2.07 2b71A1 PRO 60 HD2 0.03 0.13 0.01 -0.04 3.68 3.80 2b71A1 PRO 60 HD3 -0.02 0.44 -0.34 -0.04 3.65 3.68 2b71A1 LYS 61 H 0.06 0.21 -0.05 -0.55 8.42 8.09 2b71A1 LYS 61 HA 0.08 0.06 0.46 -0.75 4.32 4.17 2b71A1 LYS 61 HB2 -0.03 0.03 0.09 -0.04 1.87 1.92 2b71A1 LYS 61 HB3 0.05 0.05 0.01 -0.04 1.79 1.86 2b71A1 LYS 61 HG2 -0.50 0.02 -0.12 -0.04 1.46 0.83 2b71A1 LYS 61 HG3 -0.44 -0.03 0.06 -0.04 1.46 1.02 2b71A1 LYS 61 HD2 -0.20 0.00 0.02 -0.04 1.69 1.47 2b71A1 LYS 61 HD3 -0.12 0.02 -0.02 -0.04 1.68 1.52 2b71A1 LYS 61 HE2 -1.31 -0.00 -0.02 -0.04 2.99 1.61 2b71A1 LYS 61 HE3 -0.92 -0.00 -0.00 -0.04 2.99 2.03 2b71A1 THR 62 H 0.08 0.13 -0.34 -0.55 8.28 7.60 2b71A1 THR 62 HA 0.20 0.07 0.25 -0.75 4.39 4.15 2b71A1 THR 62 HB 0.01 0.14 0.06 -0.04 4.32 4.49 2b71A1 THR 62 HG23 -0.45 0.01 -0.15 -0.04 1.22 0.58 2b71A1 CYS 63 H -0.11 0.65 -0.09 -0.55 8.50 8.41 2b71A1 CYS 63 HA -0.30 0.01 0.40 -0.75 4.58 3.94 2b71A1 CYS 63 HB2 -0.79 0.07 -0.03 -0.04 2.97 2.17 2b71A1 CYS 63 HB3 -1.97 -0.03 -0.10 -0.04 2.97 0.82 2b71A1 LEU 64 H 0.05 0.50 -0.31 -0.55 8.37 8.07 2b71A1 LEU 64 HA 0.44 0.03 0.38 -0.75 4.35 4.44 2b71A1 LEU 64 HB2 0.48 0.05 0.06 -0.04 1.64 2.19 2b71A1 LEU 64 HB3 0.25 0.04 0.13 -0.04 1.64 2.02 2b71A1 LEU 64 HG 0.10 -0.02 -0.22 -0.04 1.64 1.46 2b71A1 LEU 64 HD13 0.21 -0.01 -0.02 -0.04 0.93 1.07 2b71A1 LEU 64 HD23 0.22 -0.01 -0.11 -0.04 0.89 0.95 2b71A1 ASN 65 H -0.01 0.50 -0.07 -0.55 8.53 8.41 2b71A1 ASN 65 HA -0.27 -0.08 0.49 -0.75 4.76 4.14 2b71A1 ASN 65 HB2 -0.33 -0.01 0.14 -0.04 2.88 2.64 2b71A1 ASN 65 HB3 -0.06 0.18 0.18 -0.04 2.79 3.05 2b71A1 ASN 65 HD21 0.14 0.26 0.13 -0.04 7.03 7.51 2b71A1 ASN 65 HD22 0.17 -0.02 -0.03 -0.04 7.74 7.81 2b71A1 PHE 66 H 0.03 0.65 -0.09 -0.55 8.34 8.38 2b71A1 PHE 66 HA 0.04 0.01 0.31 -0.75 4.62 4.22 2b71A1 PHE 66 HB2 -0.33 0.05 0.03 -0.04 3.15 2.85 2b71A1 PHE 66 HB3 -0.12 0.05 0.04 -0.04 3.06 2.99 2b71A1 PHE 66 HD2 -0.02 0.05 -0.16 -0.04 7.28 7.11 2b71A1 PHE 66 HE2 -0.73 -0.00 -0.15 -0.04 7.38 6.46 2b71A1 PHE 66 HZ -0.38 -0.02 -0.15 -0.04 7.32 6.72 2b71A1 TYR 67 H 0.17 0.74 -0.15 -0.55 8.29 8.50 2b71A1 TYR 67 HA -0.00 -0.02 0.32 -0.75 4.56 4.10 2b71A1 TYR 67 HB2 0.14 0.02 0.07 -0.04 3.06 3.25 2b71A1 TYR 67 HB3 0.26 0.06 0.14 -0.04 2.98 3.40 2b71A1 TYR 67 HD2 0.18 0.01 -0.16 -0.04 7.15 7.14 2b71A1 TYR 67 HE2 0.06 0.01 -0.03 -0.04 6.85 6.85 2b71A1 THR 68 H 0.12 0.68 -0.09 -0.55 8.28 8.44 2b71A1 THR 68 HA 0.02 -0.01 0.38 -0.75 4.39 4.03 2b71A1 THR 68 HB -0.12 0.03 0.15 -0.04 4.32 4.34 2b71A1 THR 68 HG23 -0.08 -0.02 -0.04 -0.04 1.22 1.04 2b71A1 LEU 69 H -0.19 0.74 -0.00 -0.55 8.37 8.37 2b71A1 LEU 69 HA -0.28 -0.02 0.39 -0.75 4.35 3.69 2b71A1 LEU 69 HB2 -0.35 0.12 0.12 -0.04 1.64 1.49 2b71A1 LEU 69 HB3 -0.77 -0.09 -0.04 -0.04 1.64 0.71 2b71A1 LEU 69 HG -0.36 0.05 0.07 -0.04 1.64 1.36 2b71A1 LEU 69 HD13 -0.39 0.01 -0.01 -0.04 0.93 0.50 2b71A1 LEU 69 HD23 -0.97 -0.02 -0.08 -0.04 0.89 -0.22 2b71A1 CYS 70 H -0.29 0.73 -0.17 -0.55 8.50 8.22 2b71A1 CYS 70 HA -0.06 -0.12 0.35 -0.75 4.58 4.00 2b71A1 CYS 70 HB2 -0.36 0.20 0.15 -0.04 2.97 2.92 2b71A1 CYS 70 HB3 -0.21 -0.07 -0.09 -0.04 2.97 2.55 2b71A1 GLU 71 H -0.27 0.57 -0.15 -0.55 8.60 8.21 2b71A1 GLU 71 HA -0.16 -0.02 0.29 -0.75 4.29 3.65 2b71A1 GLU 71 HB2 -0.40 0.21 0.17 -0.04 2.09 2.04 2b71A1 GLU 71 HB3 -0.12 0.02 0.13 -0.04 1.99 1.98 2b71A1 GLU 71 HG2 -0.17 -0.07 0.04 -0.04 2.34 2.10 2b71A1 GLU 71 HG3 -0.09 -0.02 0.01 -0.04 2.34 2.20 2b71A1 MET 72 H -0.11 0.64 0.01 -0.55 8.47 8.47 2b71A1 MET 72 HA -0.05 0.07 0.50 -0.75 4.52 4.28 2b71A1 MET 72 HB2 -0.04 -0.04 0.15 -0.04 2.15 2.18 2b71A1 MET 72 HB3 -0.06 -0.01 0.11 -0.04 2.03 2.02 2b71A1 MET 72 HG2 -0.10 0.17 0.11 -0.04 2.63 2.77 2b71A1 MET 72 HG3 -0.02 -0.06 -0.19 -0.04 2.56 2.26 2b71A1 MET 72 HE3 -0.12 0.01 -0.11 -0.04 2.10 1.85 2b71A1 GLY 73 H -0.06 0.37 -0.60 -0.55 8.43 7.59 2b71A1 GLY 73 HA2 -0.03 -0.01 0.33 -0.51 4.01 3.79 2b71A1 GLY 73 HA3 -0.03 0.10 0.49 -0.51 4.01 4.06 2b71A1 PHE 74 H 0.00 0.43 -0.08 -0.55 8.34 8.15 2b71A1 PHE 74 HA -0.14 0.09 0.30 -0.75 4.62 4.11 2b71A1 PHE 74 HB2 -0.24 -0.01 0.06 -0.04 3.15 2.92 2b71A1 PHE 74 HB3 -0.52 0.01 0.04 -0.04 3.06 2.54 2b71A1 PHE 74 HD2 -0.68 0.00 -0.16 -0.04 7.28 6.40 2b71A1 PHE 74 HE2 -0.03 0.05 -0.01 -0.04 7.38 7.35 2b71A1 PHE 74 HZ -0.01 -0.20 0.09 -0.04 7.32 7.16 2b71A1 TYR 75 H -0.02 0.11 -0.29 -0.55 8.29 7.54 2b71A1 TYR 75 HA -0.08 0.13 0.57 -0.75 4.56 4.42 2b71A1 TYR 75 HB2 -0.02 -0.01 -0.12 -0.04 3.06 2.88 2b71A1 TYR 75 HB3 0.05 -0.05 -0.01 -0.04 2.98 2.92 2b71A1 TYR 75 HD2 -0.05 -0.02 -0.11 -0.04 7.15 6.93 2b71A1 TYR 75 HE2 -0.08 0.11 0.03 -0.04 6.85 6.86 2b71A1 ASP 76 H -0.01 0.29 -0.47 -0.55 8.40 7.65 2b71A1 ASP 76 HA 0.02 0.03 0.27 -0.75 4.63 4.20 2b71A1 ASP 76 HB2 -0.04 0.21 0.18 -0.04 2.71 3.01 2b71A1 ASP 76 HB3 -0.02 0.01 0.07 -0.04 2.70 2.71 2b71A1 ASN 77 H 0.00 0.44 0.40 -0.55 8.53 8.84 2b71A1 ASN 77 HA -0.01 -0.04 0.37 -0.75 4.76 4.33 2b71A1 ASN 77 HB2 -0.02 -0.06 -0.12 -0.04 2.88 2.64 2b71A1 ASN 77 HB3 -0.04 0.15 0.09 -0.04 2.79 2.95 2b71A1 ASN 77 HD21 -0.01 -0.06 0.03 -0.04 7.03 6.95 2b71A1 ASN 77 HD22 -0.03 0.03 0.05 -0.04 7.74 7.75 2b71A1 THR 78 H -0.02 0.40 -0.26 -0.55 8.28 7.85 2b71A1 THR 78 HA -0.06 0.22 0.84 -0.75 4.39 4.64 2b71A1 THR 78 HB -0.03 -0.12 -0.06 -0.04 4.32 4.06 2b71A1 THR 78 HG23 -0.12 0.05 -0.23 -0.04 1.22 0.88 2b71A1 ILE 79 H -0.05 0.15 0.13 -0.55 8.25 7.93 2b71A1 ILE 79 HA -0.15 0.26 0.99 -0.75 4.18 4.53 2b71A1 ILE 79 HB 0.03 0.06 0.04 -0.04 1.89 1.98 2b71A1 ILE 79 HG12 0.02 -0.06 0.06 -0.04 1.49 1.47 2b71A1 ILE 79 HG13 0.09 -0.10 -0.42 -0.04 1.21 0.74 2b71A1 ILE 79 HG23 0.01 0.00 -0.21 -0.04 0.93 0.69 2b71A1 ILE 79 HD13 0.06 0.07 -0.03 -0.04 0.88 0.94 2b71A1 PHE 80 H 0.01 0.67 0.33 -0.55 8.34 8.80 2b71A1 PHE 80 HA -0.08 0.10 1.04 -0.75 4.62 4.94 2b71A1 PHE 80 HB2 -0.03 -0.01 0.25 -0.04 3.15 3.32 2b71A1 PHE 80 HB3 -0.09 0.08 0.11 -0.04 3.06 3.12 2b71A1 PHE 80 HD2 -0.06 0.03 -0.29 -0.04 7.28 6.92 2b71A1 PHE 80 HE2 0.13 -0.03 -0.26 -0.04 7.38 7.18 2b71A1 PHE 80 HZ 0.33 -0.02 -0.19 -0.04 7.32 7.39 2b71A1 HIS 81 H -0.06 0.14 0.13 -0.55 8.41 8.08 2b71A1 HIS 81 HA 0.04 0.15 0.56 -0.75 4.63 4.63 2b71A1 HIS 81 HB2 0.02 0.11 0.01 -0.04 3.26 3.36 2b71A1 HIS 81 HB3 0.01 -0.06 -0.04 -0.04 3.20 3.06 2b71A1 HIS 81 HD2 0.04 0.10 -0.28 -0.04 6.97 6.78 2b71A1 HIS 81 HE1 -0.02 0.05 -0.19 -0.04 7.75 7.55 2b71A1 ARG 82 H -0.32 0.21 0.03 -0.55 8.46 7.83 2b71A1 ARG 82 HA -0.01 0.46 0.63 -0.75 4.34 4.66 2b71A1 ARG 82 HB2 -0.13 -0.19 0.01 -0.04 1.90 1.56 2b71A1 ARG 82 HB3 -0.01 -0.01 -0.15 -0.04 1.80 1.60 2b71A1 ARG 82 HG2 0.05 0.14 0.02 -0.04 1.67 1.84 2b71A1 ARG 82 HG3 0.10 0.02 -0.21 -0.04 1.67 1.54 2b71A1 ARG 82 HD2 0.06 -0.11 -0.11 -0.04 3.22 3.03 2b71A1 ARG 82 HD3 0.07 -0.04 -0.10 -0.04 3.22 3.10 2b71A1 VAL 83 H -0.02 0.75 0.22 -0.55 8.24 8.64 2b71A1 VAL 83 HA -0.07 0.06 0.90 -0.75 4.13 4.26 2b71A1 VAL 83 HB -0.06 0.05 0.06 -0.04 2.12 2.13 2b71A1 VAL 83 HG13 -0.09 0.03 -0.10 -0.04 0.97 0.78 2b71A1 VAL 83 HG23 -0.08 -0.03 -0.21 -0.04 0.95 0.59 2b71A1 ILE 84 H -0.03 0.65 0.21 -0.55 8.25 8.53 2b71A1 ILE 84 HA 0.01 0.26 0.97 -0.75 4.18 4.67 2b71A1 ILE 84 HB 0.24 -0.20 0.22 -0.04 1.89 2.11 2b71A1 ILE 84 HG12 0.04 0.08 -0.08 -0.04 1.49 1.48 2b71A1 ILE 84 HG13 0.05 -0.08 -0.54 -0.04 1.21 0.60 2b71A1 ILE 84 HG23 0.06 0.04 -0.10 -0.04 0.93 0.88 2b71A1 ILE 84 HD13 0.15 -0.01 -0.08 -0.04 0.88 0.89 2b71A1 PRO 85 HA -0.03 -0.01 0.24 -0.51 4.44 4.12 2b71A1 PRO 85 HB2 -0.01 -0.01 -0.03 -0.04 2.28 2.18 2b71A1 PRO 85 HB3 -0.02 0.01 0.05 -0.04 2.02 2.02 2b71A1 PRO 85 HG2 -0.02 0.00 0.05 -0.04 2.03 2.02 2b71A1 PRO 85 HG3 -0.03 0.30 0.08 -0.04 2.03 2.34 2b71A1 PRO 85 HD2 -0.01 0.06 0.15 -0.04 3.68 3.84 2b71A1 PRO 85 HD3 -0.02 0.30 0.03 -0.04 3.65 3.92 2b71A1 ASN 86 H -0.02 0.12 0.08 -0.55 8.53 8.17 2b71A1 ASN 86 HA -0.00 0.04 0.23 -0.75 4.76 4.27 2b71A1 ASN 86 HB2 0.02 0.19 0.04 -0.04 2.88 3.08 2b71A1 ASN 86 HB3 0.02 -0.03 0.18 -0.04 2.79 2.91 2b71A1 ASN 86 HD21 -0.01 -0.01 0.00 -0.04 7.03 6.97 2b71A1 ASN 86 HD22 -0.01 0.04 0.07 -0.04 7.74 7.80 2b71A1 PHE 87 H 0.05 0.27 -0.56 -0.55 8.34 7.55 2b71A1 PHE 87 HA -0.10 0.11 0.66 -0.75 4.62 4.53 2b71A1 PHE 87 HB2 -0.07 0.05 -0.14 -0.04 3.15 2.95 2b71A1 PHE 87 HB3 -0.10 0.16 0.12 -0.04 3.06 3.21 2b71A1 PHE 87 HD2 -0.09 0.04 0.03 -0.04 7.28 7.21 2b71A1 PHE 87 HE2 -0.13 -0.03 -0.07 -0.04 7.38 7.12 2b71A1 PHE 87 HZ -0.23 -0.01 -0.09 -0.04 7.32 6.95 2b71A1 VAL 88 H -0.19 0.36 0.20 -0.55 8.24 8.06 2b71A1 VAL 88 HA -0.36 0.18 1.03 -0.75 4.13 4.22 2b71A1 VAL 88 HB -0.42 0.09 -0.05 -0.04 2.12 1.70 2b71A1 VAL 88 HG13 -1.71 -0.03 -0.31 -0.04 0.97 -1.12 2b71A1 VAL 88 HG23 -0.48 -0.01 -0.24 -0.04 0.95 0.17 2b71A1 ILE 89 H -0.18 0.56 0.30 -0.55 8.25 8.38 2b71A1 ILE 89 HA -0.14 0.24 0.78 -0.75 4.18 4.30 2b71A1 ILE 89 HB -0.24 -0.06 0.22 -0.04 1.89 1.77 2b71A1 ILE 89 HG12 -0.26 0.10 0.02 -0.04 1.49 1.30 2b71A1 ILE 89 HG13 -0.20 -0.04 -0.10 -0.04 1.21 0.82 2b71A1 ILE 89 HG23 -0.57 -0.00 -0.15 -0.04 0.93 0.17 2b71A1 ILE 89 HD13 -0.38 0.01 -0.02 -0.04 0.88 0.45 2b71A1 GLN 90 H -0.08 0.75 0.28 -0.55 8.47 8.88 2b71A1 GLN 90 HA -0.05 0.23 1.11 -0.75 4.36 4.90 2b71A1 GLN 90 HB2 0.15 -0.02 -0.15 -0.04 2.15 2.10 2b71A1 GLN 90 HB3 -0.18 0.01 0.08 -0.04 2.02 1.89 2b71A1 GLN 90 HG2 -0.48 -0.08 -0.20 -0.04 2.40 1.59 2b71A1 GLN 90 HG3 -0.09 0.06 0.02 -0.04 2.39 2.34 2b71A1 GLN 90 HE21 0.24 0.05 -0.06 -0.04 6.97 7.16 2b71A1 GLN 90 HE22 0.18 -0.02 -0.08 -0.04 7.69 7.74 2b71A1 GLY 91 H -0.44 0.65 0.38 -0.55 8.43 8.47 2b71A1 GLY 91 HA2 -0.05 0.08 0.87 -0.51 4.01 4.39 2b71A1 GLY 91 HA3 -0.32 0.04 0.36 -0.51 4.01 3.58 2b71A1 GLY 92 H -0.09 0.26 0.14 -0.55 8.43 8.19 2b71A1 GLY 92 HA2 0.42 0.05 0.28 -0.51 4.01 4.25 2b71A1 GLY 92 HA3 0.33 0.28 0.59 -0.51 4.01 4.71 2b71A1 ASP 93 H 0.11 0.14 -0.13 -0.55 8.40 7.97 2b71A1 ASP 93 HA 0.13 0.27 0.80 -0.75 4.63 5.07 2b71A1 ASP 93 HB2 -0.04 0.20 -0.18 -0.04 2.71 2.65 2b71A1 ASP 93 HB3 -0.15 0.00 0.05 -0.04 2.70 2.57 2b71A1 PRO 94 HA -0.16 0.18 0.36 -0.51 4.44 4.31 2b71A1 PRO 94 HB2 -0.18 0.04 0.01 -0.04 2.28 2.11 2b71A1 PRO 94 HB3 -0.52 0.22 0.11 -0.04 2.02 1.78 2b71A1 PRO 94 HG2 -0.00 -0.09 0.10 -0.04 2.03 2.00 2b71A1 PRO 94 HG3 -0.29 0.12 0.08 -0.04 2.03 1.89 2b71A1 PRO 94 HD2 0.13 -0.02 0.19 -0.04 3.68 3.94 2b71A1 PRO 94 HD3 0.07 0.33 0.03 -0.04 3.65 4.04 2b71A1 THR 95 H -0.04 -0.03 -0.21 -0.55 8.28 7.45 2b71A1 THR 95 HA -0.04 0.21 0.48 -0.75 4.39 4.28 2b71A1 THR 95 HB -0.02 0.11 0.10 -0.04 4.32 4.47 2b71A1 THR 95 HG23 -0.01 0.01 0.03 -0.04 1.22 1.21 2b71A1 GLY 96 H -0.06 0.38 -0.33 -0.55 8.43 7.87 2b71A1 GLY 96 HA2 -0.03 0.01 0.31 -0.51 4.01 3.79 2b71A1 GLY 96 HA3 -0.02 0.18 0.48 -0.51 4.01 4.14 2b71A1 THR 97 H -0.10 -0.12 -0.38 -0.55 8.28 7.13 2b71A1 THR 97 HA -0.05 0.29 0.44 -0.75 4.39 4.32 2b71A1 THR 97 HB -0.03 0.09 0.02 -0.04 4.32 4.36 2b71A1 THR 97 HG23 -0.02 0.04 -0.09 -0.04 1.22 1.10 2b71A1 GLY 98 H -0.38 -0.07 -0.14 -0.55 8.43 7.30 2b71A1 GLY 98 HA2 -0.62 0.01 0.22 -0.51 4.01 3.11 2b71A1 GLY 98 HA3 -0.16 0.29 0.74 -0.51 4.01 4.37 2b71A1 LYS 99 H -0.07 -0.11 -0.18 -0.55 8.42 7.51 2b71A1 LYS 99 HA 0.02 0.35 0.98 -0.75 4.32 4.91 2b71A1 LYS 99 HB2 0.00 -0.06 -0.10 -0.04 1.87 1.67 2b71A1 LYS 99 HB3 0.02 0.04 0.06 -0.04 1.79 1.88 2b71A1 LYS 99 HG2 0.01 0.10 -0.23 -0.04 1.46 1.30 2b71A1 LYS 99 HG3 -0.01 -0.03 -0.21 -0.04 1.46 1.17 2b71A1 LYS 99 HD2 0.02 -0.01 -0.04 -0.04 1.69 1.61 2b71A1 LYS 99 HD3 0.02 0.03 -0.05 -0.04 1.68 1.63 2b71A1 LYS 99 HE2 0.00 0.02 -0.07 -0.04 2.99 2.89 2b71A1 LYS 99 HE3 0.00 -0.03 -0.05 -0.04 2.99 2.88 2b71A1 GLY 100 H -0.02 -0.22 -0.04 -0.55 8.43 7.60 2b71A1 GLY 100 HA2 0.04 0.28 0.61 -0.51 4.01 4.43 2b71A1 GLY 100 HA3 0.03 -0.15 0.34 -0.51 4.01 3.72 2b71A1 GLY 101 H 0.11 0.06 0.12 -0.55 8.43 8.17 2b71A1 GLY 101 HA2 0.32 0.04 0.46 -0.51 4.01 4.32 2b71A1 GLY 101 HA3 0.19 0.14 0.88 -0.51 4.01 4.71 2b71A1 LYS 102 H 0.12 0.28 0.21 -0.55 8.42 8.48 2b71A1 LYS 102 HA 0.03 0.26 0.48 -0.75 4.32 4.34 2b71A1 LYS 102 HB2 -0.03 0.10 0.16 -0.04 1.87 2.05 2b71A1 LYS 102 HB3 0.03 0.03 -0.03 -0.04 1.79 1.78 2b71A1 LYS 102 HG2 0.14 -0.09 -0.07 -0.04 1.46 1.40 2b71A1 LYS 102 HG3 -0.21 0.03 -0.20 -0.04 1.46 1.04 2b71A1 LYS 102 HD2 -0.03 0.05 -0.03 -0.04 1.69 1.64 2b71A1 LYS 102 HD3 0.03 -0.03 -0.04 -0.04 1.68 1.60 2b71A1 LYS 102 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.92 2b71A1 LYS 102 HE3 0.12 -0.02 -0.05 -0.04 2.99 3.01 2b71A1 SER 103 H 0.01 0.52 0.18 -0.55 8.46 8.62 2b71A1 SER 103 HA -0.12 0.22 0.81 -0.75 4.49 4.66 2b71A1 SER 103 HB2 0.08 -0.10 0.03 -0.04 3.95 3.92 2b71A1 SER 103 HB3 0.43 0.12 -0.11 -0.04 3.93 4.33 2b71A1 ILE 104 H -0.45 0.16 0.11 -0.55 8.25 7.53 2b71A1 ILE 104 HA -0.28 0.13 0.55 -0.75 4.18 3.83 2b71A1 ILE 104 HB -0.35 0.02 0.10 -0.04 1.89 1.61 2b71A1 ILE 104 HG12 -1.14 -0.06 0.05 -0.04 1.49 0.29 2b71A1 ILE 104 HG13 -1.53 0.03 -0.31 -0.04 1.21 -0.63 2b71A1 ILE 104 HG23 -0.31 0.02 0.03 -0.04 0.93 0.63 2b71A1 ILE 104 HD13 -0.37 0.01 -0.16 -0.04 0.88 0.32 2b71A1 TYR 105 H -0.27 0.03 -0.49 -0.55 8.29 7.01 2b71A1 TYR 105 HA -0.06 0.21 0.78 -0.75 4.56 4.73 2b71A1 TYR 105 HB2 -0.02 0.06 -0.13 -0.04 3.06 2.93 2b71A1 TYR 105 HB3 -0.03 -0.00 0.10 -0.04 2.98 3.00 2b71A1 TYR 105 HD2 -0.45 0.05 -0.11 -0.04 7.15 6.60 2b71A1 TYR 105 HE2 -0.65 0.05 -0.05 -0.04 6.85 6.16 2b71A1 GLY 106 H -0.04 0.30 -0.42 -0.55 8.43 7.73 2b71A1 GLY 106 HA2 -0.01 0.02 0.30 -0.51 4.01 3.81 2b71A1 GLY 106 HA3 0.03 0.14 0.92 -0.51 4.01 4.59 2b71A1 GLU 107 H 0.01 0.13 0.09 -0.55 8.60 8.28 2b71A1 GLU 107 HA -0.08 0.13 -0.01 -0.75 4.29 3.57 2b71A1 GLU 107 HB2 -0.13 -0.05 0.08 -0.04 2.09 1.95 2b71A1 GLU 107 HB3 -0.33 0.03 0.03 -0.04 1.99 1.68 2b71A1 GLU 107 HG2 -0.37 0.05 0.07 -0.04 2.34 2.06 2b71A1 GLU 107 HG3 -0.18 -0.03 0.01 -0.04 2.34 2.10 2b71A1 TYR 108 H 0.13 0.17 0.11 -0.55 8.29 8.15 2b71A1 TYR 108 HA 0.09 0.49 0.75 -0.75 4.56 5.14 2b71A1 TYR 108 HB2 0.04 -0.08 -0.01 -0.04 3.06 2.97 2b71A1 TYR 108 HB3 -0.01 0.06 0.00 -0.04 2.98 2.99 2b71A1 TYR 108 HD2 0.01 0.08 -0.16 -0.04 7.15 7.04 2b71A1 TYR 108 HE2 0.02 -0.01 -0.09 -0.04 6.85 6.73 2b71A1 PHE 109 H -0.09 0.33 0.15 -0.55 8.34 8.19 2b71A1 PHE 109 HA 0.03 0.14 0.59 -0.75 4.62 4.62 2b71A1 PHE 109 HB2 -0.14 -0.09 0.07 -0.04 3.15 2.95 2b71A1 PHE 109 HB3 0.05 0.05 -0.16 -0.04 3.06 2.96 2b71A1 PHE 109 HD2 0.07 0.02 -0.26 -0.04 7.28 7.06 2b71A1 PHE 109 HE2 0.05 0.08 -0.18 -0.04 7.38 7.29 2b71A1 PHE 109 HZ -0.00 0.02 -0.07 -0.04 7.32 7.23 2b71A1 GLU 110 H 0.13 0.10 0.11 -0.55 8.60 8.39 2b71A1 GLU 110 HA -0.05 -0.01 0.24 -0.75 4.29 3.71 2b71A1 GLU 110 HB2 -0.00 0.03 0.19 -0.04 2.09 2.27 2b71A1 GLU 110 HB3 0.02 0.01 0.14 -0.04 1.99 2.12 2b71A1 GLU 110 HG2 0.04 0.05 -0.07 -0.04 2.34 2.32 2b71A1 GLU 110 HG3 0.01 0.03 0.06 -0.04 2.34 2.40 2b71A1 ASP 111 H -0.06 0.03 0.22 -0.55 8.40 8.05 2b71A1 ASP 111 HA -0.07 0.08 0.69 -0.75 4.63 4.58 2b71A1 ASP 111 HB2 -0.03 0.02 0.09 -0.04 2.71 2.74 2b71A1 ASP 111 HB3 -0.02 0.02 -0.06 -0.04 2.70 2.59 2b71A1 GLU 112 H 0.03 0.14 0.01 -0.55 8.60 8.23 2b71A1 GLU 112 HA 0.03 0.20 0.66 -0.75 4.29 4.43 2b71A1 GLU 112 HB2 0.08 -0.06 0.21 -0.04 2.09 2.28 2b71A1 GLU 112 HB3 0.06 0.20 0.17 -0.04 1.99 2.38 2b71A1 GLU 112 HG2 0.05 0.09 0.05 -0.04 2.34 2.48 2b71A1 GLU 112 HG3 0.08 0.03 -0.33 -0.04 2.34 2.08 2b71A1 ILE 113 H 0.02 0.17 -0.11 -0.55 8.25 7.78 2b71A1 ILE 113 HA 0.03 0.07 0.56 -0.75 4.18 4.09 2b71A1 ILE 113 HB 0.01 0.01 0.07 -0.04 1.89 1.95 2b71A1 ILE 113 HG12 0.01 -0.10 -0.14 -0.04 1.49 1.21 2b71A1 ILE 113 HG13 0.01 0.22 -0.10 -0.04 1.21 1.30 2b71A1 ILE 113 HG23 0.02 0.00 -0.09 -0.04 0.93 0.82 2b71A1 ILE 113 HD13 0.04 -0.02 -0.40 -0.04 0.88 0.45 2b71A1 ASN 114 H -0.01 0.26 0.23 -0.55 8.53 8.47 2b71A1 ASN 114 HA -0.02 0.19 0.95 -0.75 4.76 5.13 2b71A1 ASN 114 HB2 -0.10 -0.00 0.17 -0.04 2.88 2.91 2b71A1 ASN 114 HB3 -0.20 -0.11 0.04 -0.04 2.79 2.49 2b71A1 ASN 114 HD21 0.10 0.27 -0.24 -0.04 7.03 7.12 2b71A1 ASN 114 HD22 0.06 -0.03 -0.02 -0.04 7.74 7.71 2b71A1 LYS 115 H -0.03 0.21 0.14 -0.55 8.42 8.19 2b71A1 LYS 115 HA -0.03 0.10 0.40 -0.75 4.32 4.04 2b71A1 LYS 115 HB2 -0.02 0.04 0.04 -0.04 1.87 1.89 2b71A1 LYS 115 HB3 -0.01 0.03 0.11 -0.04 1.79 1.87 2b71A1 LYS 115 HG2 -0.01 -0.01 0.13 -0.04 1.46 1.52 2b71A1 LYS 115 HG3 -0.03 -0.02 -0.02 -0.04 1.46 1.35 2b71A1 LYS 115 HD2 -0.00 0.02 0.01 -0.04 1.69 1.67 2b71A1 LYS 115 HD3 0.00 0.01 0.02 -0.04 1.68 1.67 2b71A1 LYS 115 HE2 -0.02 -0.01 -0.10 -0.04 2.99 2.82 2b71A1 LYS 115 HE3 -0.01 0.01 -0.05 -0.04 2.99 2.91 2b71A1 GLU 116 H -0.14 -0.01 -0.46 -0.55 8.60 7.44 2b71A1 GLU 116 HA -0.10 0.12 0.44 -0.75 4.29 4.00 2b71A1 GLU 116 HB2 -0.55 -0.02 -0.06 -0.04 2.09 1.42 2b71A1 GLU 116 HB3 -0.25 0.02 0.04 -0.04 1.99 1.76 2b71A1 GLU 116 HG2 -0.03 0.02 -0.00 -0.04 2.34 2.28 2b71A1 GLU 116 HG3 -0.06 0.03 -0.02 -0.04 2.34 2.24 2b71A1 LEU 117 H -0.14 0.53 -0.20 -0.55 8.37 8.02 2b71A1 LEU 117 HA -0.13 0.16 1.01 -0.75 4.35 4.64 2b71A1 LEU 117 HB2 -0.09 -0.02 0.19 -0.04 1.64 1.69 2b71A1 LEU 117 HB3 -0.07 -0.02 0.00 -0.04 1.64 1.51 2b71A1 LEU 117 HG -0.36 -0.13 -0.26 -0.04 1.64 0.85 2b71A1 LEU 117 HD13 0.09 -0.01 -0.06 -0.04 0.93 0.91 2b71A1 LEU 117 HD23 -0.26 0.06 -0.05 -0.04 0.89 0.59 2b71A1 LYS 118 H -0.08 0.24 0.15 -0.55 8.42 8.18 2b71A1 LYS 118 HA -0.06 0.17 0.91 -0.75 4.32 4.59 2b71A1 LYS 118 HB2 -0.02 0.02 -0.07 -0.04 1.87 1.76 2b71A1 LYS 118 HB3 0.02 -0.02 -0.07 -0.04 1.79 1.67 2b71A1 LYS 118 HG2 0.02 -0.04 0.03 -0.04 1.46 1.43 2b71A1 LYS 118 HG3 -0.02 0.12 -0.50 -0.04 1.46 1.01 2b71A1 LYS 118 HD2 -0.01 -0.02 -0.09 -0.04 1.69 1.53 2b71A1 LYS 118 HD3 0.01 -0.02 -0.04 -0.04 1.68 1.60 2b71A1 LYS 118 HE2 -0.02 0.19 -0.08 -0.04 2.99 3.04 2b71A1 LYS 118 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2b71A1 HIS 119 H 0.14 0.19 0.04 -0.55 8.41 8.24 2b71A1 HIS 119 HA -0.02 0.12 0.48 -0.75 4.63 4.46 2b71A1 HIS 119 HB2 -0.04 0.05 0.08 -0.04 3.26 3.31 2b71A1 HIS 119 HB3 -0.07 0.02 0.11 -0.04 3.20 3.22 2b71A1 HIS 119 HD2 -0.05 0.02 -0.13 -0.04 6.97 6.77 2b71A1 HIS 119 HE1 0.11 0.10 -0.15 -0.04 7.75 7.77 2b71A1 THR 120 H 0.00 0.35 0.20 -0.55 8.28 8.28 2b71A1 THR 120 HA 0.02 0.15 0.61 -0.75 4.39 4.42 2b71A1 THR 120 HB 0.00 0.01 0.05 -0.04 4.32 4.34 2b71A1 THR 120 HG23 -0.00 -0.01 -0.16 -0.04 1.22 1.01 2b71A1 GLY 121 H 0.00 0.23 0.02 -0.55 8.43 8.14 2b71A1 GLY 121 HA2 -0.01 0.10 0.28 -0.51 4.01 3.87 2b71A1 GLY 121 HA3 -0.01 0.08 0.27 -0.51 4.01 3.84 2b71A1 ALA 122 H -0.03 0.14 -0.05 -0.55 8.40 7.92 2b71A1 ALA 122 HA -0.06 -0.01 -0.06 -0.75 4.34 3.45 2b71A1 ALA 122 HB3 -0.06 0.06 -0.13 -0.04 1.41 1.25 2b71A1 GLY 123 H -0.09 0.78 0.21 -0.55 8.43 8.78 2b71A1 GLY 123 HA2 -0.12 0.00 0.33 -0.51 4.01 3.71 2b71A1 GLY 123 HA3 -0.07 0.15 0.49 -0.51 4.01 4.08 2b71A1 ILE 124 H -0.06 0.11 -0.03 -0.55 8.25 7.72 2b71A1 ILE 124 HA -0.11 0.17 0.72 -0.75 4.18 4.21 2b71A1 ILE 124 HB -0.02 -0.02 0.11 -0.04 1.89 1.92 2b71A1 ILE 124 HG12 -0.01 0.06 0.01 -0.04 1.49 1.51 2b71A1 ILE 124 HG13 -0.03 0.04 -0.23 -0.04 1.21 0.95 2b71A1 ILE 124 HG23 -0.10 0.01 -0.15 -0.04 0.93 0.65 2b71A1 ILE 124 HD13 -0.02 0.04 0.09 -0.04 0.88 0.95 2b71A1 LEU 125 H -0.34 0.66 0.32 -0.55 8.37 8.46 2b71A1 LEU 125 HA -0.10 0.44 1.06 -0.75 4.35 4.99 2b71A1 LEU 125 HB2 -0.86 -0.12 -0.01 -0.04 1.64 0.61 2b71A1 LEU 125 HB3 -1.07 0.02 -0.10 -0.04 1.64 0.44 2b71A1 LEU 125 HG -0.04 0.13 -0.09 -0.04 1.64 1.60 2b71A1 LEU 125 HD13 -0.14 -0.03 -0.31 -0.04 0.93 0.41 2b71A1 LEU 125 HD23 -0.55 -0.01 -0.18 -0.04 0.89 0.11 2b71A1 SER 126 H 0.13 0.61 0.31 -0.55 8.46 8.97 2b71A1 SER 126 HA 0.21 0.29 0.90 -0.75 4.49 5.14 2b71A1 SER 126 HB2 0.24 -0.05 -0.44 -0.04 3.95 3.66 2b71A1 SER 126 HB3 0.55 -0.01 -0.15 -0.04 3.93 4.27 2b71A1 MET 127 H 0.29 0.46 0.19 -0.55 8.47 8.86 2b71A1 MET 127 HA 0.11 0.11 0.76 -0.75 4.52 4.76 2b71A1 MET 127 HB2 0.05 -0.24 0.19 -0.04 2.15 2.10 2b71A1 MET 127 HB3 -0.03 0.21 0.09 -0.04 2.03 2.25 2b71A1 MET 127 HG2 0.01 0.03 0.04 -0.04 2.63 2.67 2b71A1 MET 127 HG3 -0.10 -0.06 0.02 -0.04 2.56 2.38 2b71A1 MET 127 HE3 0.05 0.04 -0.15 -0.04 2.10 2.01 2b71A1 SER 128 H -0.24 0.43 0.22 -0.55 8.46 8.32 2b71A1 SER 128 HA -0.42 0.09 0.62 -0.75 4.49 4.04 2b71A1 SER 128 HB2 -0.86 -0.08 -0.23 -0.04 3.95 2.75 2b71A1 SER 128 HB3 -0.18 -0.02 -0.22 -0.04 3.93 3.47 2b71A1 ASN 129 H 0.12 0.29 0.16 -0.55 8.53 8.55 2b71A1 ASN 129 HA -0.04 0.19 0.55 -0.75 4.76 4.70 2b71A1 ASN 129 HB2 -0.14 -0.07 -0.09 -0.04 2.88 2.54 2b71A1 ASN 129 HB3 -0.07 0.09 -0.57 -0.04 2.79 2.21 2b71A1 ASN 129 HD21 -0.47 0.33 0.01 -0.04 7.03 6.86 2b71A1 ASN 129 HD22 -0.10 -0.13 -0.15 -0.04 7.74 7.33 2b71A1 ASN 130 H -0.15 0.23 0.08 -0.55 8.53 8.14 2b71A1 ASN 130 HA 0.00 0.20 0.93 -0.75 4.76 5.13 2b71A1 ASN 130 HB2 -0.15 0.01 0.08 -0.04 2.88 2.78 2b71A1 ASN 130 HB3 -0.03 -0.01 0.18 -0.04 2.79 2.89 2b71A1 ASN 130 HD21 0.08 0.05 -0.06 -0.04 7.03 7.06 2b71A1 ASN 130 HD22 -0.06 -0.02 -0.02 -0.04 7.74 7.60 2b71A1 GLY 131 H -0.07 0.10 -0.10 -0.55 8.43 7.81 2b71A1 GLY 131 HA2 -0.06 0.03 0.31 -0.51 4.01 3.78 2b71A1 GLY 131 HA3 -0.06 0.23 0.72 -0.51 4.01 4.39 2b71A1 PRO 132 HA -0.10 -0.00 0.32 -0.51 4.44 4.15 2b71A1 PRO 132 HB2 -0.05 0.04 0.02 -0.04 2.28 2.25 2b71A1 PRO 132 HB3 -0.05 0.01 0.10 -0.04 2.02 2.04 2b71A1 PRO 132 HG2 -0.03 0.05 0.08 -0.04 2.03 2.09 2b71A1 PRO 132 HG3 -0.05 0.07 0.10 -0.04 2.03 2.10 2b71A1 PRO 132 HD2 -0.05 0.15 0.14 -0.04 3.68 3.89 2b71A1 PRO 132 HD3 -0.05 0.11 0.22 -0.04 3.65 3.89 2b71A1 ASN 133 H -0.11 0.05 0.17 -0.55 8.53 8.09 2b71A1 ASN 133 HA -0.13 -0.05 0.30 -0.75 4.76 4.13 2b71A1 ASN 133 HB2 -0.05 0.17 -0.10 -0.04 2.88 2.85 2b71A1 ASN 133 HB3 -0.04 -0.03 0.00 -0.04 2.79 2.69 2b71A1 ASN 133 HD21 -0.03 0.03 -0.03 -0.04 7.03 6.96 2b71A1 ASN 133 HD22 -0.03 0.12 -0.20 -0.04 7.74 7.59 2b71A1 THR 134 H -0.23 0.14 -0.24 -0.55 8.28 7.41 2b71A1 THR 134 HA -0.58 0.18 0.76 -0.75 4.39 4.00 2b71A1 THR 134 HB -0.91 0.00 0.12 -0.04 4.32 3.49 2b71A1 THR 134 HG23 -0.41 0.08 -0.24 -0.04 1.22 0.60 2b71A1 ASN 135 H -0.35 0.27 -0.06 -0.55 8.53 7.84 2b71A1 ASN 135 HA -0.20 0.19 0.77 -0.75 4.76 4.77 2b71A1 ASN 135 HB2 -1.56 0.04 0.04 -0.04 2.88 1.36 2b71A1 ASN 135 HB3 -0.67 0.03 0.01 -0.04 2.79 2.11 2b71A1 ASN 135 HD21 -0.22 -0.21 -0.12 -0.04 7.03 6.44 2b71A1 ASN 135 HD22 -0.44 0.58 -0.16 -0.04 7.74 7.68 2b71A1 SER 136 H 0.05 0.13 0.04 -0.55 8.46 8.12 2b71A1 SER 136 HA 0.30 0.13 0.47 -0.75 4.49 4.64 2b71A1 SER 136 HB2 0.16 -0.08 -0.30 -0.04 3.95 3.68 2b71A1 SER 136 HB3 0.32 0.22 -0.14 -0.04 3.93 4.29 2b71A1 SER 137 H 0.20 0.10 0.14 -0.55 8.46 8.36 2b71A1 SER 137 HA 0.29 0.18 0.89 -0.75 4.49 5.10 2b71A1 SER 137 HB2 0.50 -0.05 0.21 -0.04 3.95 4.58 2b71A1 SER 137 HB3 -0.05 0.28 0.09 -0.04 3.93 4.21 2b71A1 GLN 138 H 0.19 -0.03 0.14 -0.55 8.47 8.22 2b71A1 GLN 138 HA 0.21 0.26 0.88 -0.75 4.36 4.96 2b71A1 GLN 138 HB2 0.08 -0.03 0.06 -0.04 2.15 2.22 2b71A1 GLN 138 HB3 0.03 0.01 0.01 -0.04 2.02 2.02 2b71A1 GLN 138 HG2 0.16 -0.02 -0.37 -0.04 2.40 2.12 2b71A1 GLN 138 HG3 0.15 0.00 -0.15 -0.04 2.39 2.35 2b71A1 GLN 138 HE21 0.02 0.25 -0.39 -0.04 6.97 6.81 2b71A1 GLN 138 HE22 0.06 0.32 -0.22 -0.04 7.69 7.81 2b71A1 PHE 139 H -0.41 0.44 0.29 -0.55 8.34 8.11 2b71A1 PHE 139 HA -0.23 -0.07 1.02 -0.75 4.62 4.59 2b71A1 PHE 139 HB2 0.15 0.06 -0.02 -0.04 3.15 3.29 2b71A1 PHE 139 HB3 0.16 0.02 -0.31 -0.04 3.06 2.89 2b71A1 PHE 139 HD2 0.11 0.20 -0.29 -0.04 7.28 7.27 2b71A1 PHE 139 HE2 -0.10 -0.00 -0.18 -0.04 7.38 7.05 2b71A1 PHE 139 HZ 0.08 -0.01 -0.16 -0.04 7.32 7.19 2b71A1 PHE 140 H -0.11 0.76 0.36 -0.55 8.34 8.79 2b71A1 PHE 140 HA -0.15 0.27 1.19 -0.75 4.62 5.17 2b71A1 PHE 140 HB2 -0.10 -0.11 -0.24 -0.04 3.15 2.66 2b71A1 PHE 140 HB3 -0.22 0.07 -0.05 -0.04 3.06 2.81 2b71A1 PHE 140 HD2 -0.15 -0.02 -0.18 -0.04 7.28 6.88 2b71A1 PHE 140 HE2 -0.49 0.03 -0.17 -0.04 7.38 6.71 2b71A1 PHE 140 HZ -0.22 0.02 -0.07 -0.04 7.32 7.00 2b71A1 ILE 141 H 0.04 0.67 0.33 -0.55 8.25 8.73 2b71A1 ILE 141 HA 0.01 0.26 0.67 -0.75 4.18 4.36 2b71A1 ILE 141 HB -0.14 -0.04 0.14 -0.04 1.89 1.81 2b71A1 ILE 141 HG12 0.13 0.02 -0.15 -0.04 1.49 1.46 2b71A1 ILE 141 HG13 0.24 -0.04 -0.36 -0.04 1.21 1.01 2b71A1 ILE 141 HG23 -0.17 0.02 -0.11 -0.04 0.93 0.63 2b71A1 ILE 141 HD13 0.05 -0.01 -0.14 -0.04 0.88 0.74 2b71A1 THR 142 H -0.07 0.48 0.24 -0.55 8.28 8.38 2b71A1 THR 142 HA -0.25 0.21 0.58 -0.75 4.39 4.18 2b71A1 THR 142 HB -0.12 0.16 0.13 -0.04 4.32 4.45 2b71A1 THR 142 HG23 -0.04 0.04 -0.02 -0.04 1.22 1.15 2b71A1 LEU 143 H -0.17 0.76 0.27 -0.55 8.37 8.68 2b71A1 LEU 143 HA -0.10 0.11 0.99 -0.75 4.35 4.60 2b71A1 LEU 143 HB2 -0.08 -0.00 -0.22 -0.04 1.64 1.29 2b71A1 LEU 143 HB3 -0.08 -0.05 0.09 -0.04 1.64 1.56 2b71A1 LEU 143 HG -0.16 0.02 -0.43 -0.04 1.64 1.03 2b71A1 LEU 143 HD13 -0.10 0.02 -0.34 -0.04 0.93 0.47 2b71A1 LEU 143 HD23 -0.14 0.02 -0.13 -0.04 0.89 0.60 2b71A1 ALA 144 H -0.07 0.32 -0.01 -0.55 8.40 8.10 2b71A1 ALA 144 HA -0.02 0.03 0.39 -0.75 4.34 3.98 2b71A1 ALA 144 HB3 0.00 0.06 -0.09 -0.04 1.41 1.35 2b71A1 PRO 145 HA 0.02 -0.02 0.18 -0.51 4.44 4.11 2b71A1 PRO 145 HB2 0.02 -0.00 -0.03 -0.04 2.28 2.23 2b71A1 PRO 145 HB3 0.02 0.14 0.04 -0.04 2.02 2.17 2b71A1 PRO 145 HG2 0.01 0.03 0.10 -0.04 2.03 2.13 2b71A1 PRO 145 HG3 0.00 0.08 0.09 -0.04 2.03 2.16 2b71A1 PRO 145 HD2 -0.00 0.11 0.20 -0.04 3.68 3.96 2b71A1 PRO 145 HD3 -0.00 0.06 0.09 -0.04 3.65 3.75 2b71A1 LEU 146 H 0.04 0.39 0.08 -0.55 8.37 8.33 2b71A1 LEU 146 HA 0.07 0.22 0.79 -0.75 4.35 4.68 2b71A1 LEU 146 HB2 -0.21 -0.07 0.16 -0.04 1.64 1.47 2b71A1 LEU 146 HB3 -0.20 -0.06 0.12 -0.04 1.64 1.46 2b71A1 LEU 146 HG -0.03 0.10 -0.78 -0.04 1.64 0.89 2b71A1 LEU 146 HD13 -0.34 0.00 -0.07 -0.04 0.93 0.49 2b71A1 LEU 146 HD23 0.25 0.06 -0.01 -0.04 0.89 1.16 2b71A1 PRO 147 HA 0.05 -0.02 0.38 -0.51 4.44 4.34 2b71A1 PRO 147 HB2 0.05 0.06 -0.04 -0.04 2.28 2.31 2b71A1 PRO 147 HB3 0.04 0.03 0.10 -0.04 2.02 2.14 2b71A1 PRO 147 HG2 0.06 0.03 0.04 -0.04 2.03 2.12 2b71A1 PRO 147 HG3 0.04 0.07 0.03 -0.04 2.03 2.12 2b71A1 PRO 147 HD2 0.07 0.23 -0.06 -0.04 3.68 3.87 2b71A1 PRO 147 HD3 0.04 0.12 -0.06 -0.04 3.65 3.71 2b71A1 HIS 148 H 0.15 0.10 -0.40 -0.55 8.41 7.72 2b71A1 HIS 148 HA 0.01 0.10 0.36 -0.75 4.63 4.36 2b71A1 HIS 148 HB2 -0.00 0.02 0.08 -0.04 3.26 3.33 2b71A1 HIS 148 HB3 -0.01 -0.02 0.05 -0.04 3.20 3.18 2b71A1 HIS 148 HD2 0.01 0.00 -0.14 -0.04 6.97 6.79 2b71A1 HIS 148 HE1 0.10 0.04 -0.04 -0.04 7.75 7.81 2b71A1 LEU 149 H -0.41 0.54 -0.28 -0.55 8.37 7.67 2b71A1 LEU 149 HA -0.11 0.15 0.63 -0.75 4.35 4.28 2b71A1 LEU 149 HB2 -1.11 0.03 0.02 -0.04 1.64 0.54 2b71A1 LEU 149 HB3 -0.43 -0.08 -0.00 -0.04 1.64 1.09 2b71A1 LEU 149 HG -0.80 -0.01 -0.04 -0.04 1.64 0.75 2b71A1 LEU 149 HD13 -0.72 -0.01 -0.09 -0.04 0.93 0.07 2b71A1 LEU 149 HD23 -0.23 0.02 -0.15 -0.04 0.89 0.49 2b71A1 ASP 150 H 0.02 0.31 -0.06 -0.55 8.40 8.12 2b71A1 ASP 150 HA 0.31 -0.05 0.45 -0.75 4.63 4.59 2b71A1 ASP 150 HB2 0.07 0.19 0.19 -0.04 2.71 3.11 2b71A1 ASP 150 HB3 0.08 0.01 0.03 -0.04 2.70 2.78 2b71A1 GLY 151 H 0.13 0.13 0.24 -0.55 8.43 8.38 2b71A1 GLY 151 HA2 0.04 -0.07 0.34 -0.51 4.01 3.81 2b71A1 GLY 151 HA3 0.04 0.18 0.53 -0.51 4.01 4.24 2b71A1 LYS 152 H 0.09 0.65 -0.27 -0.55 8.42 8.33 2b71A1 LYS 152 HA -0.08 0.17 1.03 -0.75 4.32 4.70 2b71A1 LYS 152 HB2 0.02 0.13 0.01 -0.04 1.87 1.99 2b71A1 LYS 152 HB3 -0.31 -0.08 -0.03 -0.04 1.79 1.33 2b71A1 LYS 152 HG2 -0.04 -0.07 -0.02 -0.04 1.46 1.28 2b71A1 LYS 152 HG3 -0.01 0.01 -0.21 -0.04 1.46 1.21 2b71A1 LYS 152 HD2 0.05 0.21 -0.02 -0.04 1.69 1.88 2b71A1 LYS 152 HD3 0.08 -0.05 -0.03 -0.04 1.68 1.65 2b71A1 LYS 152 HE2 0.09 0.03 -0.01 -0.04 2.99 3.05 2b71A1 LYS 152 HE3 0.05 -0.06 -0.03 -0.04 2.99 2.91 2b71A1 HIS 153 H 0.21 0.22 0.12 -0.55 8.41 8.42 2b71A1 HIS 153 HA 0.09 0.18 0.80 -0.75 4.63 4.94 2b71A1 HIS 153 HB2 0.30 -0.07 -0.05 -0.04 3.26 3.39 2b71A1 HIS 153 HB3 0.28 0.08 -0.09 -0.04 3.20 3.42 2b71A1 HIS 153 HD2 -0.01 0.03 -0.09 -0.04 6.97 6.85 2b71A1 HIS 153 HE1 0.26 -0.06 -0.05 -0.04 7.75 7.86 2b71A1 THR 154 H 0.14 0.21 0.09 -0.55 8.28 8.17 2b71A1 THR 154 HA 0.11 0.13 0.50 -0.75 4.39 4.38 2b71A1 THR 154 HB 0.09 -0.03 0.18 -0.04 4.32 4.52 2b71A1 THR 154 HG23 0.13 0.11 -0.13 -0.04 1.22 1.29 2b71A1 ILE 155 H 0.07 0.21 0.27 -0.55 8.25 8.25 2b71A1 ILE 155 HA 0.02 0.16 0.76 -0.75 4.18 4.37 2b71A1 ILE 155 HB -0.03 -0.01 0.13 -0.04 1.89 1.94 2b71A1 ILE 155 HG12 -0.39 0.01 -0.15 -0.04 1.49 0.91 2b71A1 ILE 155 HG13 -0.35 0.01 -0.12 -0.04 1.21 0.70 2b71A1 ILE 155 HG23 0.06 0.01 -0.11 -0.04 0.93 0.84 2b71A1 ILE 155 HD13 -0.62 0.03 -0.35 -0.04 0.88 -0.10 2b71A1 PHE 156 H -0.32 0.53 0.37 -0.55 8.34 8.35 2b71A1 PHE 156 HA 0.03 0.17 0.76 -0.75 4.62 4.82 2b71A1 PHE 156 HB2 -0.18 -0.04 0.04 -0.04 3.15 2.94 2b71A1 PHE 156 HB3 -0.05 0.01 -0.22 -0.04 3.06 2.76 2b71A1 PHE 156 HD2 -0.25 0.06 -0.19 -0.04 7.28 6.86 2b71A1 PHE 156 HE2 -0.90 -0.02 -0.35 -0.04 7.38 6.06 2b71A1 PHE 156 HZ -0.84 0.02 -0.23 -0.04 7.32 6.23 2b71A1 ALA 157 H -0.77 0.35 0.38 -0.55 8.40 7.82 2b71A1 ALA 157 HA -1.28 0.18 0.63 -0.75 4.34 3.12 2b71A1 ALA 157 HB3 -0.67 0.00 -0.05 -0.04 1.41 0.66 2b71A1 ARG 158 H -0.41 0.44 0.39 -0.55 8.46 8.33 2b71A1 ARG 158 HA -0.20 0.16 0.69 -0.75 4.34 4.22 2b71A1 ARG 158 HB2 -0.03 0.07 0.07 -0.04 1.90 1.96 2b71A1 ARG 158 HB3 -0.02 -0.02 -0.06 -0.04 1.80 1.66 2b71A1 ARG 158 HG2 0.16 -0.03 -0.08 -0.04 1.67 1.68 2b71A1 ARG 158 HG3 0.01 -0.12 -0.24 -0.04 1.67 1.28 2b71A1 ARG 158 HD2 0.09 -0.05 -0.08 -0.04 3.22 3.13 2b71A1 ARG 158 HD3 0.05 0.26 -0.20 -0.04 3.22 3.28 2b71A1 VAL 159 H -0.07 0.73 0.34 -0.55 8.24 8.69 2b71A1 VAL 159 HA 0.09 0.14 0.78 -0.75 4.13 4.39 2b71A1 VAL 159 HB -0.07 -0.02 0.22 -0.04 2.12 2.21 2b71A1 VAL 159 HG13 0.01 -0.03 -0.20 -0.04 0.97 0.71 2b71A1 VAL 159 HG23 -0.13 0.02 0.00 -0.04 0.95 0.81 2b71A1 SER 160 H 0.12 0.79 0.46 -0.55 8.46 9.28 2b71A1 SER 160 HA 0.08 0.19 0.80 -0.75 4.49 4.80 2b71A1 SER 160 HB2 0.15 -0.01 0.04 -0.04 3.95 4.08 2b71A1 SER 160 HB3 0.20 0.01 -0.04 -0.04 3.93 4.06 2b71A1 LYS 161 H 0.10 0.30 0.21 -0.55 8.42 8.48 2b71A1 LYS 161 HA 0.04 0.11 0.59 -0.75 4.32 4.31 2b71A1 LYS 161 HB2 0.03 0.09 -0.11 -0.04 1.87 1.84 2b71A1 LYS 161 HB3 0.05 -0.09 0.10 -0.04 1.79 1.81 2b71A1 LYS 161 HG2 0.03 -0.01 -0.05 -0.04 1.46 1.39 2b71A1 LYS 161 HG3 0.02 0.01 0.13 -0.04 1.46 1.58 2b71A1 LYS 161 HD2 -0.00 -0.01 -0.05 -0.04 1.69 1.59 2b71A1 LYS 161 HD3 0.00 0.01 -0.01 -0.04 1.68 1.64 2b71A1 LYS 161 HE2 -0.02 0.04 0.01 -0.04 2.99 2.98 2b71A1 LYS 161 HE3 -0.03 -0.02 -0.07 -0.04 2.99 2.82 2b71A1 ASN 162 H 0.03 0.18 0.13 -0.55 8.53 8.32 2b71A1 ASN 162 HA 0.02 0.01 0.42 -0.75 4.76 4.46 2b71A1 ASN 162 HB2 0.05 0.02 -0.07 -0.04 2.88 2.83 2b71A1 ASN 162 HB3 0.11 0.22 0.25 -0.04 2.79 3.33 2b71A1 ASN 162 HD21 0.06 -0.03 0.10 -0.04 7.03 7.11 2b71A1 ASN 162 HD22 0.09 0.75 0.30 -0.04 7.74 8.84 2b71A1 MET 163 H -0.01 0.15 -0.00 -0.55 8.47 8.06 2b71A1 MET 163 HA -0.11 0.10 0.53 -0.75 4.52 4.27 2b71A1 MET 163 HB2 -0.03 -0.00 0.07 -0.04 2.15 2.14 2b71A1 MET 163 HB3 -0.06 0.05 -0.02 -0.04 2.03 1.95 2b71A1 MET 163 HG2 -0.04 0.01 -0.06 -0.04 2.63 2.50 2b71A1 MET 163 HG3 -0.04 0.08 -0.04 -0.04 2.56 2.52 2b71A1 MET 163 HE3 -0.09 0.00 -0.09 -0.04 2.10 1.88 2b71A1 THR 164 H -0.02 0.06 -0.31 -0.55 8.28 7.47 2b71A1 THR 164 HA -0.03 0.08 0.34 -0.75 4.39 4.02 2b71A1 THR 164 HB 0.00 0.02 0.04 -0.04 4.32 4.34 2b71A1 THR 164 HG23 0.00 0.03 -0.04 -0.04 1.22 1.16 2b71A1 CYS 165 H -0.01 0.36 -0.31 -0.55 8.50 7.99 2b71A1 CYS 165 HA 0.01 0.13 0.36 -0.75 4.58 4.33 2b71A1 CYS 165 HB2 0.09 0.02 0.00 -0.04 2.97 3.04 2b71A1 CYS 165 HB3 0.03 0.09 0.00 -0.04 2.97 3.05 2b71A1 ILE 166 H -0.21 0.18 -0.15 -0.55 8.25 7.52 2b71A1 ILE 166 HA -0.33 0.04 0.43 -0.75 4.18 3.56 2b71A1 ILE 166 HB -0.22 0.13 0.14 -0.04 1.89 1.90 2b71A1 ILE 166 HG12 -0.49 -0.00 0.04 -0.04 1.49 1.00 2b71A1 ILE 166 HG13 -0.45 -0.02 0.00 -0.04 1.21 0.70 2b71A1 ILE 166 HG23 -0.24 -0.00 -0.08 -0.04 0.93 0.57 2b71A1 ILE 166 HD13 -1.30 -0.01 -0.13 -0.04 0.88 -0.60 2b71A1 GLU 167 H -0.10 0.39 -0.28 -0.55 8.60 8.06 2b71A1 GLU 167 HA -0.09 0.04 0.41 -0.75 4.29 3.90 2b71A1 GLU 167 HB2 -0.05 0.04 0.14 -0.04 2.09 2.18 2b71A1 GLU 167 HB3 -0.04 -0.00 0.02 -0.04 1.99 1.93 2b71A1 GLU 167 HG2 -0.06 0.01 -0.01 -0.04 2.34 2.24 2b71A1 GLU 167 HG3 -0.08 -0.04 -0.09 -0.04 2.34 2.09 2b71A1 ASN 168 H -0.05 0.59 -0.06 -0.55 8.53 8.46 2b71A1 ASN 168 HA -0.01 0.02 0.44 -0.75 4.76 4.46 2b71A1 ASN 168 HB2 -0.00 0.13 0.23 -0.04 2.88 3.19 2b71A1 ASN 168 HB3 0.03 -0.03 0.07 -0.04 2.79 2.82 2b71A1 ASN 168 HD21 0.02 -0.10 -0.04 -0.04 7.03 6.86 2b71A1 ASN 168 HD22 0.03 0.08 0.01 -0.04 7.74 7.82 2b71A1 ILE 169 H -0.08 0.49 -0.23 -0.55 8.25 7.88 2b71A1 ILE 169 HA -0.05 0.01 0.35 -0.75 4.18 3.73 2b71A1 ILE 169 HB -0.22 0.12 0.14 -0.04 1.89 1.88 2b71A1 ILE 169 HG12 -0.01 -0.07 -0.02 -0.04 1.49 1.36 2b71A1 ILE 169 HG13 -0.04 0.15 0.01 -0.04 1.21 1.29 2b71A1 ILE 169 HG23 -0.33 -0.02 -0.11 -0.04 0.93 0.44 2b71A1 ILE 169 HD13 -0.27 -0.04 -0.14 -0.04 0.88 0.39 2b71A1 ALA 170 H -0.11 0.35 -0.30 -0.55 8.40 7.79 2b71A1 ALA 170 HA -0.10 0.06 0.29 -0.75 4.34 3.83 2b71A1 ALA 170 HB3 -0.09 -0.03 0.06 -0.04 1.41 1.31 2b71A1 SER 171 H -0.05 0.33 -0.50 -0.55 8.46 7.70 2b71A1 SER 171 HA -0.03 0.03 0.42 -0.75 4.49 4.16 2b71A1 SER 171 HB2 -0.00 -0.11 0.09 -0.04 3.95 3.88 2b71A1 SER 171 HB3 -0.02 0.04 0.08 -0.04 3.93 3.99 2b71A1 VAL 172 H -0.06 0.35 -0.31 -0.55 8.24 7.67 2b71A1 VAL 172 HA -0.03 -0.03 0.52 -0.75 4.13 3.84 2b71A1 VAL 172 HB -0.16 0.16 0.14 -0.04 2.12 2.22 2b71A1 VAL 172 HG13 -0.58 0.02 -0.04 -0.04 0.97 0.33 2b71A1 VAL 172 HG23 -0.01 0.02 0.02 -0.04 0.95 0.93 2b71A1 GLN 173 H -0.03 0.01 0.20 -0.55 8.47 8.10 2b71A1 GLN 173 HA -0.03 0.12 0.40 -0.75 4.36 4.10 2b71A1 GLN 173 HB2 0.01 -0.08 0.16 -0.04 2.15 2.21 2b71A1 GLN 173 HB3 -0.00 0.02 -0.01 -0.04 2.02 1.99 2b71A1 GLN 173 HG2 0.00 0.03 0.08 -0.04 2.40 2.47 2b71A1 GLN 173 HG3 0.01 0.05 0.09 -0.04 2.39 2.50 2b71A1 GLN 173 HE21 0.04 -0.03 0.02 -0.04 6.97 6.96 2b71A1 GLN 173 HE22 0.04 0.03 0.04 -0.04 7.69 7.76 2b71A1 THR 174 H -0.03 0.20 0.23 -0.55 8.28 8.13 2b71A1 THR 174 HA -0.05 0.20 0.92 -0.75 4.39 4.71 2b71A1 THR 174 HB -0.02 -0.15 -0.27 -0.04 4.32 3.83 2b71A1 THR 174 HG23 -0.05 0.11 -0.28 -0.04 1.22 0.96 2b71A1 THR 175 H -0.01 0.56 0.21 -0.55 8.28 8.50 2b71A1 THR 175 HA 0.00 0.13 0.59 -0.75 4.39 4.36 2b71A1 THR 175 HB 0.01 -0.10 0.19 -0.04 4.32 4.38 2b71A1 THR 175 HG23 0.01 0.09 0.02 -0.04 1.22 1.30 2b71A1 ALA 176 H 0.01 0.15 0.19 -0.55 8.40 8.19 2b71A1 ALA 176 HA -0.00 0.15 0.31 -0.75 4.34 4.04 2b71A1 ALA 176 HB3 0.00 0.01 0.11 -0.04 1.41 1.49 2b71A1 THR 177 H 0.01 -0.01 -0.22 -0.55 8.28 7.51 2b71A1 THR 177 HA 0.01 0.26 0.91 -0.75 4.39 4.82 2b71A1 THR 177 HB 0.03 0.06 0.16 -0.04 4.32 4.54 2b71A1 THR 177 HG23 0.02 -0.01 -0.04 -0.04 1.22 1.15 2b71A1 ASN 178 H 0.01 0.51 -0.45 -0.55 8.53 8.05 2b71A1 ASN 178 HA -0.00 0.14 0.23 -0.75 4.76 4.38 2b71A1 ASN 178 HB2 0.03 0.14 -0.10 -0.04 2.88 2.91 2b71A1 ASN 178 HB3 0.01 0.00 0.06 -0.04 2.79 2.83 2b71A1 ASN 178 HD21 -0.01 -0.04 -0.04 -0.04 7.03 6.91 2b71A1 ASN 178 HD22 -0.00 0.08 0.02 -0.04 7.74 7.79 2b71A1 LYS 179 H 0.01 -0.12 -0.13 -0.55 8.42 7.63 2b71A1 LYS 179 HA 0.02 0.37 0.89 -0.75 4.32 4.85 2b71A1 LYS 179 HB2 0.04 0.03 0.01 -0.04 1.87 1.91 2b71A1 LYS 179 HB3 0.02 -0.19 0.05 -0.04 1.79 1.64 2b71A1 LYS 179 HG2 0.03 0.19 -0.10 -0.04 1.46 1.54 2b71A1 LYS 179 HG3 0.06 0.18 0.15 -0.04 1.46 1.82 2b71A1 LYS 179 HD2 0.05 -0.02 0.02 -0.04 1.69 1.70 2b71A1 LYS 179 HD3 0.03 -0.09 -0.03 -0.04 1.68 1.55 2b71A1 LYS 179 HE2 0.05 0.04 -0.02 -0.04 2.99 3.02 2b71A1 LYS 179 HE3 0.07 0.06 0.05 -0.04 2.99 3.13 2b71A1 PRO 180 HA -0.12 0.27 0.52 -0.51 4.44 4.60 2b71A1 PRO 180 HB2 -0.15 0.17 0.10 -0.04 2.28 2.36 2b71A1 PRO 180 HB3 -0.25 0.01 0.10 -0.04 2.02 1.83 2b71A1 PRO 180 HG2 0.00 0.03 0.12 -0.04 2.03 2.14 2b71A1 PRO 180 HG3 -0.06 0.04 0.00 -0.04 2.03 1.98 2b71A1 PRO 180 HD2 0.02 0.08 0.20 -0.04 3.68 3.93 2b71A1 PRO 180 HD3 0.00 0.13 0.06 -0.04 3.65 3.80 2b71A1 ILE 181 H -0.14 0.53 0.26 -0.55 8.25 8.35 2b71A1 ILE 181 HA 0.01 0.03 0.33 -0.75 4.18 3.80 2b71A1 ILE 181 HB 0.07 -0.04 0.05 -0.04 1.89 1.92 2b71A1 ILE 181 HG12 -0.06 0.16 0.05 -0.04 1.49 1.60 2b71A1 ILE 181 HG13 0.09 -0.01 -0.09 -0.04 1.21 1.16 2b71A1 ILE 181 HG23 0.00 0.01 -0.20 -0.04 0.93 0.70 2b71A1 ILE 181 HD13 0.15 -0.02 -0.03 -0.04 0.88 0.93 2b71A1 PHE 182 H -0.44 0.13 -0.16 -0.55 8.34 7.32 2b71A1 PHE 182 HA 0.03 0.18 0.61 -0.75 4.62 4.68 2b71A1 PHE 182 HB2 0.03 -0.04 0.10 -0.04 3.15 3.19 2b71A1 PHE 182 HB3 0.02 0.02 0.01 -0.04 3.06 3.07 2b71A1 PHE 182 HD2 0.03 0.08 -0.21 -0.04 7.28 7.15 2b71A1 PHE 182 HE2 0.03 -0.01 -0.04 -0.04 7.38 7.31 2b71A1 PHE 182 HZ 0.02 0.01 -0.02 -0.04 7.32 7.28 2b71A1 ASP 183 H 0.23 0.08 0.07 -0.55 8.40 8.24 2b71A1 ASP 183 HA 0.07 0.14 0.26 -0.75 4.63 4.35 2b71A1 ASP 183 HB2 0.12 -0.04 0.11 -0.04 2.71 2.86 2b71A1 ASP 183 HB3 0.09 -0.00 -0.13 -0.04 2.70 2.61 2b71A1 LEU 184 H 0.09 0.25 0.20 -0.55 8.37 8.37 2b71A1 LEU 184 HA 0.20 0.11 0.93 -0.75 4.35 4.84 2b71A1 LEU 184 HB2 0.26 -0.00 0.25 -0.04 1.64 2.11 2b71A1 LEU 184 HB3 0.25 -0.05 0.07 -0.04 1.64 1.86 2b71A1 LEU 184 HG -0.10 0.15 -0.03 -0.04 1.64 1.62 2b71A1 LEU 184 HD13 -0.07 -0.01 0.06 -0.04 0.93 0.86 2b71A1 LEU 184 HD23 -0.03 0.03 -0.17 -0.04 0.89 0.68 2b71A1 LYS 185 H 0.18 0.08 0.15 -0.55 8.42 8.28 2b71A1 LYS 185 HA -0.09 0.25 1.25 -0.75 4.32 4.97 2b71A1 LYS 185 HB2 0.00 0.21 -0.20 -0.04 1.87 1.84 2b71A1 LYS 185 HB3 0.02 -0.02 -0.44 -0.04 1.79 1.31 2b71A1 LYS 185 HG2 0.09 -0.03 -0.15 -0.04 1.46 1.33 2b71A1 LYS 185 HG3 0.07 -0.12 -0.15 -0.04 1.46 1.22 2b71A1 LYS 185 HD2 0.05 -0.03 -0.09 -0.04 1.69 1.58 2b71A1 LYS 185 HD3 0.03 0.06 -0.14 -0.04 1.68 1.59 2b71A1 LYS 185 HE2 0.02 0.12 -0.17 -0.04 2.99 2.93 2b71A1 LYS 185 HE3 0.05 -0.07 -0.22 -0.04 2.99 2.71 2b71A1 ILE 186 H -0.16 0.48 0.21 -0.55 8.25 8.24 2b71A1 ILE 186 HA 0.11 0.13 0.81 -0.75 4.18 4.47 2b71A1 ILE 186 HB -0.01 0.18 0.20 -0.04 1.89 2.22 2b71A1 ILE 186 HG12 0.16 -0.03 -0.09 -0.04 1.49 1.49 2b71A1 ILE 186 HG13 -0.28 -0.04 -0.07 -0.04 1.21 0.78 2b71A1 ILE 186 HG23 0.08 -0.03 -0.26 -0.04 0.93 0.68 2b71A1 ILE 186 HD13 0.07 -0.02 -0.10 -0.04 0.88 0.79 2b71A1 LEU 187 H 0.11 0.42 0.28 -0.55 8.37 8.63 2b71A1 LEU 187 HA 0.03 0.04 0.70 -0.75 4.35 4.37 2b71A1 LEU 187 HB2 0.09 -0.04 0.06 -0.04 1.64 1.71 2b71A1 LEU 187 HB3 0.03 -0.00 0.00 -0.04 1.64 1.63 2b71A1 LEU 187 HG 0.10 -0.01 -0.09 -0.04 1.64 1.59 2b71A1 LEU 187 HD13 0.09 -0.01 -0.26 -0.04 0.93 0.71 2b71A1 LEU 187 HD23 0.05 0.00 -0.05 -0.04 0.89 0.84 2b71A1 ARG 188 H 0.12 0.30 0.22 -0.55 8.46 8.56 2b71A1 ARG 188 HA 0.04 0.11 0.41 -0.75 4.34 4.15 2b71A1 ARG 188 HB2 -0.02 0.04 0.14 -0.04 1.90 2.01 2b71A1 ARG 188 HB3 -0.03 0.15 -0.05 -0.04 1.80 1.83 2b71A1 ARG 188 HG2 -0.09 -0.09 -0.21 -0.04 1.67 1.24 2b71A1 ARG 188 HG3 -0.12 -0.05 -0.25 -0.04 1.67 1.20 2b71A1 ARG 188 HD2 -0.19 0.08 -0.09 -0.04 3.22 2.97 2b71A1 ARG 188 HD3 -0.15 0.02 -0.08 -0.04 3.22 2.97 2b71A1 THR 189 H 0.03 0.26 0.19 -0.55 8.28 8.22 2b71A1 THR 189 HA 0.15 0.26 1.17 -0.75 4.39 5.21 2b71A1 THR 189 HB -0.03 0.04 0.04 -0.04 4.32 4.34 2b71A1 THR 189 HG23 0.02 -0.03 -0.19 -0.04 1.22 0.98 2b71A1 SER 190 H 0.11 0.77 0.40 -0.55 8.46 9.19 2b71A1 SER 190 HA 0.08 0.17 1.02 -0.75 4.49 5.00 2b71A1 SER 190 HB2 0.68 0.00 -0.05 -0.04 3.95 4.54 2b71A1 SER 190 HB3 0.17 -0.06 -0.02 -0.04 3.93 3.98 2b71A1 THR 191 H 0.04 0.16 0.08 -0.55 8.28 8.01 2b71A1 THR 191 HA 0.11 0.21 0.44 -0.75 4.39 4.39 2b71A1 THR 191 HB -0.01 -0.01 -0.01 -0.04 4.32 4.24 2b71A1 THR 191 HG23 0.12 0.01 0.07 -0.04 1.22 1.38