============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 -133.536 25.643 64.351 -99.200 -91.000 PHE 3 1.000 -131.197 33.901 63.346 -99.200 -91.000 HIS 14 0.900 -130.410 22.781 26.843 -99.200 -91.000 PHE 17 1.000 -134.548 20.311 31.452 -99.200 -91.000 PHE 18 1.000 -136.124 28.362 27.624 -99.200 -91.000 TYR 25 0.840 -135.781 20.650 35.774 -99.200 -91.000 PHE 42 1.000 -126.659 33.787 52.913 -99.200 -91.000 TYR 44 0.840 -125.707 22.888 59.009 -99.200 -91.000 TYR 51 0.840 -143.363 23.980 45.563 -99.200 -91.000 PHE 70 1.000 -136.512 31.666 33.990 -99.200 -91.000 TYR 74 0.840 -134.644 30.630 48.484 -99.200 -91.000 PHE 79 1.000 -128.571 25.155 63.670 -99.200 -91.000 PHE 82 1.000 -125.391 33.612 65.408 -99.200 -91.000 HIS 97 0.900 -108.353 12.378 72.902 -99.200 -91.000 PHE 99 1.000 -120.087 15.672 76.349 -99.200 -91.000 PHE 109 1.000 -114.669 16.866 70.952 -99.200 -91.000 HIS 113 0.900 -108.113 18.024 80.004 -99.200 -91.000 PHE 121 1.000 -112.784 7.827 78.145 -99.200 -91.000 TYR 130 0.840 -115.904 11.819 79.229 -99.200 -91.000 HIS 158 0.900 -118.428 19.253 62.243 -99.200 -91.000 TYR 167 0.840 -127.875 28.497 86.736 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r93G1 MET 1 HA -0.10 -0.03 0.17 -0.75 4.52 3.80 2r93G1 MET 1 HB2 0.06 -0.01 0.01 -0.04 2.15 2.18 2r93G1 MET 1 HB3 0.12 -0.08 0.03 -0.04 2.03 2.07 2r93G1 MET 1 HG2 0.35 0.03 -0.12 -0.04 2.63 2.85 2r93G1 MET 1 HG3 0.35 -0.05 -0.14 -0.04 2.56 2.67 2r93G1 MET 1 HE3 0.66 0.01 -0.25 -0.04 2.10 2.48 2r93G1 PHE 2 H 0.19 0.05 0.08 -0.55 8.34 8.11 2r93G1 PHE 2 HA 0.21 -0.01 0.55 -0.75 4.62 4.61 2r93G1 PHE 2 HB2 -0.06 -0.05 0.10 -0.04 3.15 3.10 2r93G1 PHE 2 HB3 0.03 0.05 0.01 -0.04 3.06 3.11 2r93G1 PHE 2 HD2 0.02 -0.04 -0.03 -0.04 7.28 7.18 2r93G1 PHE 2 HE2 -0.45 -0.02 -0.05 -0.04 7.38 6.83 2r93G1 PHE 2 HZ -0.41 -0.03 -0.01 -0.04 7.32 6.83 2r93G1 PHE 3 H 0.32 0.99 0.46 -0.55 8.34 9.56 2r93G1 PHE 3 HA 0.12 0.25 1.05 -0.75 4.62 5.28 2r93G1 PHE 3 HB2 0.09 -0.06 -0.03 -0.04 3.15 3.11 2r93G1 PHE 3 HB3 0.08 -0.10 0.00 -0.04 3.06 3.00 2r93G1 PHE 3 HD2 0.13 -0.14 -0.04 -0.04 7.28 7.19 2r93G1 PHE 3 HE2 0.22 -0.06 -0.01 -0.04 7.38 7.48 2r93G1 PHE 3 HZ -0.03 -0.07 -0.03 -0.04 7.32 7.16 2r93G1 ILE 4 H 0.23 0.23 0.06 -0.55 8.25 8.22 2r93G1 ILE 4 HA 0.09 0.28 0.92 -0.75 4.18 4.71 2r93G1 ILE 4 HB 0.08 -0.00 0.16 -0.04 1.89 2.08 2r93G1 ILE 4 HG12 0.08 0.03 -0.09 -0.04 1.49 1.47 2r93G1 ILE 4 HG13 0.09 -0.00 -0.33 -0.04 1.21 0.92 2r93G1 ILE 4 HG23 0.03 -0.02 -0.11 -0.04 0.93 0.79 2r93G1 ILE 4 HD13 0.05 -0.01 -0.07 -0.04 0.88 0.81 2r93G1 LYS 5 H 0.06 0.26 0.12 -0.55 8.42 8.31 2r93G1 LYS 5 HA 0.05 0.12 0.77 -0.75 4.32 4.51 2r93G1 LYS 5 HB2 0.07 -0.01 -0.01 -0.04 1.87 1.88 2r93G1 LYS 5 HB3 0.06 -0.01 -0.01 -0.04 1.79 1.80 2r93G1 LYS 5 HG2 0.17 0.03 -0.06 -0.04 1.46 1.56 2r93G1 LYS 5 HG3 0.09 0.07 -0.14 -0.04 1.46 1.43 2r93G1 LYS 5 HD2 0.04 -0.04 0.10 -0.04 1.69 1.75 2r93G1 LYS 5 HD3 0.00 0.01 -0.01 -0.04 1.68 1.64 2r93G1 LYS 5 HE2 0.02 0.02 -0.00 -0.04 2.99 2.99 2r93G1 LYS 5 HE3 0.07 0.04 0.02 -0.04 2.99 3.09 2r93G1 ASP 6 H 0.01 0.16 0.17 -0.55 8.40 8.19 2r93G1 ASP 6 HA -0.11 0.07 0.85 -0.75 4.63 4.69 2r93G1 ASP 6 HB2 0.01 -0.04 0.24 -0.04 2.71 2.87 2r93G1 ASP 6 HB3 -0.01 0.09 0.07 -0.04 2.70 2.81 2r93G1 LEU 7 H -0.35 0.16 0.13 -0.55 8.37 7.76 2r93G1 LEU 7 HA -0.04 0.22 0.90 -0.75 4.35 4.68 2r93G1 LEU 7 HB2 -0.48 -0.03 -0.14 -0.04 1.64 0.95 2r93G1 LEU 7 HB3 -0.04 -0.04 0.02 -0.04 1.64 1.53 2r93G1 LEU 7 HG -0.28 0.06 -0.31 -0.04 1.64 1.08 2r93G1 LEU 7 HD13 -0.23 -0.01 -0.18 -0.04 0.93 0.47 2r93G1 LEU 7 HD23 -0.20 0.04 -0.28 -0.04 0.89 0.41 2r93G1 SER 8 H 0.10 0.23 0.09 -0.55 8.46 8.33 2r93G1 SER 8 HA 0.18 0.21 0.66 -0.75 4.49 4.78 2r93G1 SER 8 HB2 0.04 0.06 -0.25 -0.04 3.95 3.76 2r93G1 SER 8 HB3 0.08 0.05 -0.06 -0.04 3.93 3.96 2r93G1 LEU 9 H -0.13 0.59 0.20 -0.55 8.37 8.49 2r93G1 LEU 9 HA -0.05 0.16 0.96 -0.75 4.35 4.67 2r93G1 LEU 9 HB2 -0.16 -0.00 -0.09 -0.04 1.64 1.35 2r93G1 LEU 9 HB3 -0.27 -0.00 0.02 -0.04 1.64 1.34 2r93G1 LEU 9 HG -0.09 -0.02 -0.48 -0.04 1.64 1.01 2r93G1 LEU 9 HD13 -0.06 -0.07 0.05 -0.04 0.93 0.81 2r93G1 LEU 9 HD23 -0.13 0.00 -0.12 -0.04 0.89 0.60 2r93G1 ASN 10 H -0.03 0.17 0.12 -0.55 8.53 8.24 2r93G1 ASN 10 HA 0.01 0.31 1.02 -0.75 4.76 5.34 2r93G1 ASN 10 HB2 -0.00 -0.03 0.12 -0.04 2.88 2.93 2r93G1 ASN 10 HB3 0.01 -0.00 -0.10 -0.04 2.79 2.65 2r93G1 ASN 10 HD21 0.00 0.00 -0.10 -0.04 7.03 6.90 2r93G1 ASN 10 HD22 0.00 -0.02 -0.07 -0.04 7.74 7.62 2r93G1 ILE 11 H 0.05 0.50 0.30 -0.55 8.25 8.55 2r93G1 ILE 11 HA 0.03 0.20 1.02 -0.75 4.18 4.68 2r93G1 ILE 11 HB 0.08 -0.05 -0.06 -0.04 1.89 1.82 2r93G1 ILE 11 HG12 -0.05 0.01 -0.30 -0.04 1.49 1.11 2r93G1 ILE 11 HG13 -0.00 0.07 0.05 -0.04 1.21 1.28 2r93G1 ILE 11 HG23 0.03 0.02 -0.05 -0.04 0.93 0.88 2r93G1 ILE 11 HD13 -0.09 -0.01 -0.07 -0.04 0.88 0.67 2r93G1 THR 12 H 0.07 0.22 0.12 -0.55 8.28 8.13 2r93G1 THR 12 HA 0.08 0.22 0.81 -0.75 4.39 4.74 2r93G1 THR 12 HB 0.06 -0.02 0.12 -0.04 4.32 4.44 2r93G1 THR 12 HG23 0.06 -0.01 -0.24 -0.04 1.22 0.98 2r93G1 LEU 13 H 0.16 0.73 0.27 -0.55 8.37 8.97 2r93G1 LEU 13 HA 0.19 0.09 0.75 -0.75 4.35 4.63 2r93G1 LEU 13 HB2 0.24 0.02 -0.01 -0.04 1.64 1.85 2r93G1 LEU 13 HB3 0.11 -0.03 0.00 -0.04 1.64 1.68 2r93G1 LEU 13 HG 0.27 0.00 -0.09 -0.04 1.64 1.78 2r93G1 LEU 13 HD13 -0.13 0.02 -0.17 -0.04 0.93 0.61 2r93G1 LEU 13 HD23 0.21 -0.01 -0.11 -0.04 0.89 0.94 2r93G1 HIS 14 H 0.07 0.15 0.13 -0.55 8.41 8.22 2r93G1 HIS 14 HA 0.02 0.09 0.53 -0.75 4.63 4.52 2r93G1 HIS 14 HB2 -0.12 0.09 0.09 -0.04 3.26 3.29 2r93G1 HIS 14 HB3 -0.42 -0.02 0.14 -0.04 3.20 2.86 2r93G1 HIS 14 HD2 -0.06 -0.01 0.08 -0.04 6.97 6.94 2r93G1 HIS 14 HE1 -0.10 0.07 0.00 -0.04 7.75 7.68 2r93G1 PRO 15 HA -0.33 0.13 0.21 -0.51 4.44 3.94 2r93G1 PRO 15 HB2 -0.52 0.00 0.01 -0.04 2.28 1.74 2r93G1 PRO 15 HB3 -0.54 0.10 0.03 -0.04 2.02 1.58 2r93G1 PRO 15 HG2 -0.29 -0.06 0.12 -0.04 2.03 1.76 2r93G1 PRO 15 HG3 -0.41 0.17 -0.16 -0.04 2.03 1.59 2r93G1 PRO 15 HD2 -0.91 0.09 0.17 -0.04 3.68 3.00 2r93G1 PRO 15 HD3 -0.08 0.09 0.18 -0.04 3.65 3.80 2r93G1 SER 16 H -0.94 0.00 -0.50 -0.55 8.46 6.48 2r93G1 SER 16 HA -0.08 0.05 0.33 -0.75 4.49 4.03 2r93G1 SER 16 HB2 0.11 -0.02 0.06 -0.04 3.95 4.07 2r93G1 SER 16 HB3 -0.65 -0.06 0.07 -0.04 3.93 3.26 2r93G1 PHE 17 H -0.47 0.20 -0.12 -0.55 8.34 7.41 2r93G1 PHE 17 HA -0.04 0.05 0.43 -0.75 4.62 4.32 2r93G1 PHE 17 HB2 -0.11 0.04 0.06 -0.04 3.15 3.09 2r93G1 PHE 17 HB3 -0.21 -0.02 0.18 -0.04 3.06 2.97 2r93G1 PHE 17 HD2 -0.22 0.01 -0.06 -0.04 7.28 6.97 2r93G1 PHE 17 HE2 -0.12 0.03 0.00 -0.04 7.38 7.25 2r93G1 PHE 17 HZ -0.10 0.03 0.01 -0.04 7.32 7.21 2r93G1 PHE 18 H 0.30 0.69 -0.54 -0.55 8.34 8.24 2r93G1 PHE 18 HA 0.07 0.06 0.55 -0.75 4.62 4.55 2r93G1 PHE 18 HB2 -0.03 0.24 0.13 -0.04 3.15 3.45 2r93G1 PHE 18 HB3 0.01 -0.04 0.20 -0.04 3.06 3.19 2r93G1 PHE 18 HD2 -0.02 0.04 -0.11 -0.04 7.28 7.14 2r93G1 PHE 18 HE2 -0.02 -0.02 -0.32 -0.04 7.38 6.98 2r93G1 PHE 18 HZ -0.03 0.02 -0.08 -0.04 7.32 7.19 2r93G1 GLY 19 H 0.13 0.01 -0.85 -0.55 8.43 7.17 2r93G1 GLY 19 HA2 0.08 0.07 0.21 -0.51 4.01 3.87 2r93G1 GLY 19 HA3 0.06 -0.03 0.26 -0.51 4.01 3.80 2r93G1 PRO 20 HA 0.03 0.18 0.66 -0.51 4.44 4.79 2r93G1 PRO 20 HB2 0.02 0.03 0.02 -0.04 2.28 2.31 2r93G1 PRO 20 HB3 0.02 0.07 0.07 -0.04 2.02 2.14 2r93G1 PRO 20 HG2 0.02 -0.04 0.12 -0.04 2.03 2.09 2r93G1 PRO 20 HG3 0.02 0.09 0.07 -0.04 2.03 2.17 2r93G1 PRO 20 HD2 0.03 0.10 0.18 -0.04 3.68 3.95 2r93G1 PRO 20 HD3 0.04 0.18 0.14 -0.04 3.65 3.97 2r93G1 ARG 21 H 0.02 0.21 0.00 -0.55 8.46 8.14 2r93G1 ARG 21 HA 0.00 0.12 0.76 -0.75 4.34 4.46 2r93G1 ARG 21 HB2 0.01 0.03 0.17 -0.04 1.90 2.07 2r93G1 ARG 21 HB3 0.01 -0.02 0.18 -0.04 1.80 1.93 2r93G1 ARG 21 HG2 0.01 0.03 -0.03 -0.04 1.67 1.64 2r93G1 ARG 21 HG3 0.01 0.04 0.03 -0.04 1.67 1.70 2r93G1 ARG 21 HD2 0.01 -0.01 0.01 -0.04 3.22 3.19 2r93G1 ARG 21 HD3 0.00 -0.10 0.08 -0.04 3.22 3.16 2r93G1 MET 22 H -0.01 0.31 -0.26 -0.55 8.47 7.96 2r93G1 MET 22 HA 0.01 0.21 0.67 -0.75 4.52 4.66 2r93G1 MET 22 HB2 -0.03 0.15 -0.30 -0.04 2.15 1.93 2r93G1 MET 22 HB3 -0.07 -0.05 -0.00 -0.04 2.03 1.87 2r93G1 MET 22 HG2 -0.21 -0.10 -0.27 -0.04 2.63 2.01 2r93G1 MET 22 HG3 -0.13 0.19 -0.03 -0.04 2.56 2.55 2r93G1 MET 22 HE3 -0.61 0.06 -0.06 -0.04 2.10 1.45 2r93G1 LYS 23 H -0.07 0.21 0.10 -0.55 8.42 8.10 2r93G1 LYS 23 HA -0.17 0.10 0.32 -0.75 4.32 3.82 2r93G1 LYS 23 HB2 -0.06 0.06 0.16 -0.04 1.87 1.99 2r93G1 LYS 23 HB3 -0.03 -0.04 0.08 -0.04 1.79 1.76 2r93G1 LYS 23 HG2 -0.05 0.01 -0.08 -0.04 1.46 1.30 2r93G1 LYS 23 HG3 -0.09 0.02 0.07 -0.04 1.46 1.42 2r93G1 LYS 23 HD2 -0.03 -0.00 0.05 -0.04 1.69 1.67 2r93G1 LYS 23 HD3 -0.01 -0.02 0.02 -0.04 1.68 1.63 2r93G1 LYS 23 HE2 -0.00 0.03 0.03 -0.04 2.99 3.00 2r93G1 LYS 23 HE3 -0.03 0.02 0.05 -0.04 2.99 3.00 2r93G1 GLN 24 H -0.02 -0.05 -0.70 -0.55 8.47 7.16 2r93G1 GLN 24 HA 0.02 0.07 0.36 -0.75 4.36 4.05 2r93G1 GLN 24 HB2 0.02 0.02 -0.00 -0.04 2.15 2.14 2r93G1 GLN 24 HB3 0.01 -0.05 -0.17 -0.04 2.02 1.77 2r93G1 GLN 24 HG2 0.02 0.04 -0.07 -0.04 2.40 2.35 2r93G1 GLN 24 HG3 0.01 0.02 -0.39 -0.04 2.39 2.00 2r93G1 GLN 24 HE21 -0.00 0.02 -0.03 -0.04 6.97 6.92 2r93G1 GLN 24 HE22 0.01 0.01 -0.07 -0.04 7.69 7.59 2r93G1 TYR 25 H 0.08 0.19 -0.15 -0.55 8.29 7.85 2r93G1 TYR 25 HA -0.09 0.00 0.30 -0.75 4.56 4.01 2r93G1 TYR 25 HB2 -0.16 0.02 0.15 -0.04 3.06 3.03 2r93G1 TYR 25 HB3 -0.09 0.07 0.07 -0.04 2.98 2.98 2r93G1 TYR 25 HD2 -0.12 0.01 -0.11 -0.04 7.15 6.90 2r93G1 TYR 25 HE2 -0.04 0.01 -0.01 -0.04 6.85 6.76 2r93G1 LEU 26 H -0.05 0.71 -0.48 -0.55 8.37 8.01 2r93G1 LEU 26 HA -0.08 0.01 0.37 -0.75 4.35 3.90 2r93G1 LEU 26 HB2 -0.21 0.10 0.04 -0.04 1.64 1.53 2r93G1 LEU 26 HB3 -0.24 0.00 -0.08 -0.04 1.64 1.28 2r93G1 LEU 26 HG -0.43 -0.04 -0.21 -0.04 1.64 0.91 2r93G1 LEU 26 HD13 -1.05 -0.00 -0.06 -0.04 0.93 -0.23 2r93G1 LEU 26 HD23 -0.08 -0.01 -0.11 -0.04 0.89 0.65 2r93G1 LYS 27 H -0.15 0.62 0.05 -0.55 8.42 8.39 2r93G1 LYS 27 HA -0.23 -0.01 0.36 -0.75 4.32 3.68 2r93G1 LYS 27 HB2 -0.09 0.07 0.27 -0.04 1.87 2.07 2r93G1 LYS 27 HB3 -0.36 -0.06 0.03 -0.04 1.79 1.37 2r93G1 LYS 27 HG2 -0.27 -0.04 0.04 -0.04 1.46 1.16 2r93G1 LYS 27 HG3 -0.15 0.20 0.13 -0.04 1.46 1.60 2r93G1 LYS 27 HD2 0.05 -0.07 -0.03 -0.04 1.69 1.60 2r93G1 LYS 27 HD3 -0.61 -0.02 -0.01 -0.04 1.68 0.99 2r93G1 LYS 27 HE2 -0.15 -0.00 0.04 -0.04 2.99 2.84 2r93G1 LYS 27 HE3 -0.06 -0.03 -0.01 -0.04 2.99 2.85 2r93G1 THR 28 H -0.12 0.60 -0.01 -0.55 8.28 8.19 2r93G1 THR 28 HA -0.09 -0.04 0.27 -0.75 4.39 3.77 2r93G1 THR 28 HB -0.38 0.07 0.02 -0.04 4.32 3.98 2r93G1 THR 28 HG23 -0.18 -0.01 -0.14 -0.04 1.22 0.84 2r93G1 LYS 29 H -0.37 0.55 -0.40 -0.55 8.42 7.65 2r93G1 LYS 29 HA -0.24 0.03 0.62 -0.75 4.32 3.98 2r93G1 LYS 29 HB2 -0.56 0.10 0.13 -0.04 1.87 1.51 2r93G1 LYS 29 HB3 -0.15 0.04 0.05 -0.04 1.79 1.68 2r93G1 LYS 29 HG2 -0.05 -0.02 0.00 -0.04 1.46 1.35 2r93G1 LYS 29 HG3 -0.11 -0.02 0.07 -0.04 1.46 1.35 2r93G1 LYS 29 HD2 0.27 -0.02 0.01 -0.04 1.69 1.92 2r93G1 LYS 29 HD3 0.16 -0.01 -0.01 -0.04 1.68 1.78 2r93G1 LYS 29 HE2 0.08 0.01 -0.00 -0.04 2.99 3.04 2r93G1 LYS 29 HE3 0.12 0.00 0.00 -0.04 2.99 3.07 2r93G1 LEU 30 H -0.20 0.70 0.08 -0.55 8.37 8.41 2r93G1 LEU 30 HA -0.18 -0.01 0.35 -0.75 4.35 3.76 2r93G1 LEU 30 HB2 -0.23 0.01 0.10 -0.04 1.64 1.49 2r93G1 LEU 30 HB3 -0.22 0.12 0.23 -0.04 1.64 1.72 2r93G1 LEU 30 HG -0.34 -0.08 -0.26 -0.04 1.64 0.92 2r93G1 LEU 30 HD13 -0.49 -0.01 -0.07 -0.04 0.93 0.33 2r93G1 LEU 30 HD23 -0.36 -0.01 -0.09 -0.04 0.89 0.39 2r93G1 LEU 31 H -0.15 0.47 -0.17 -0.55 8.37 7.97 2r93G1 LEU 31 HA -0.06 -0.12 0.33 -0.75 4.35 3.74 2r93G1 LEU 31 HB2 -0.05 0.20 -0.02 -0.04 1.64 1.73 2r93G1 LEU 31 HB3 -0.01 -0.04 0.07 -0.04 1.64 1.61 2r93G1 LEU 31 HG -0.13 0.16 -0.15 -0.04 1.64 1.47 2r93G1 LEU 31 HD13 0.09 -0.01 -0.04 -0.04 0.93 0.93 2r93G1 LEU 31 HD23 -0.11 -0.03 -0.04 -0.04 0.89 0.67 2r93G1 GLU 32 H -0.10 0.27 -0.54 -0.55 8.60 7.68 2r93G1 GLU 32 HA -0.04 0.11 0.64 -0.75 4.29 4.24 2r93G1 GLU 32 HB2 -0.08 0.07 0.13 -0.04 2.09 2.17 2r93G1 GLU 32 HB3 -0.04 -0.06 0.09 -0.04 1.99 1.94 2r93G1 GLU 32 HG2 -0.06 -0.06 0.01 -0.04 2.34 2.19 2r93G1 GLU 32 HG3 -0.12 0.50 0.19 -0.04 2.34 2.88 2r93G1 GLU 33 H -0.08 0.47 -0.17 -0.55 8.60 8.28 2r93G1 GLU 33 HA -0.04 0.17 0.80 -0.75 4.29 4.47 2r93G1 GLU 33 HB2 -0.06 0.14 0.09 -0.04 2.09 2.21 2r93G1 GLU 33 HB3 -0.07 -0.06 0.03 -0.04 1.99 1.85 2r93G1 GLU 33 HG2 -0.03 -0.06 0.05 -0.04 2.34 2.26 2r93G1 GLU 33 HG3 -0.03 0.05 0.01 -0.04 2.34 2.33 2r93G1 VAL 34 H -0.05 0.13 -0.31 -0.55 8.24 7.46 2r93G1 VAL 34 HA -0.03 0.17 0.95 -0.75 4.13 4.47 2r93G1 VAL 34 HB -0.01 -0.10 -0.02 -0.04 2.12 1.95 2r93G1 VAL 34 HG13 0.18 -0.03 -0.23 -0.04 0.97 0.85 2r93G1 VAL 34 HG23 -0.19 0.10 -0.19 -0.04 0.95 0.62 2r93G1 GLU 35 H 0.00 0.11 0.02 -0.55 8.60 8.19 2r93G1 GLU 35 HA 0.03 -0.08 0.13 -0.75 4.29 3.62 2r93G1 GLU 35 HB2 0.01 0.18 0.22 -0.04 2.09 2.46 2r93G1 GLU 35 HB3 0.03 0.11 0.01 -0.04 1.99 2.10 2r93G1 GLU 35 HG2 0.05 -0.13 -0.06 -0.04 2.34 2.15 2r93G1 GLU 35 HG3 0.02 -0.02 0.12 -0.04 2.34 2.41 2r93G1 GLY 36 H 0.01 0.25 0.34 -0.55 8.43 8.48 2r93G1 GLY 36 HA2 -0.00 -0.01 0.41 -0.51 4.01 3.89 2r93G1 GLY 36 HA3 -0.01 0.12 0.86 -0.51 4.01 4.47 2r93G1 SER 37 H -0.03 0.45 0.29 -0.55 8.46 8.62 2r93G1 SER 37 HA -0.07 0.09 0.46 -0.75 4.49 4.22 2r93G1 SER 37 HB2 -0.05 -0.11 0.13 -0.04 3.95 3.89 2r93G1 SER 37 HB3 -0.04 0.20 0.14 -0.04 3.93 4.20 2r93G1 CYS 38 H -0.08 0.13 0.08 -0.55 8.50 8.08 2r93G1 CYS 38 HA -0.17 0.34 0.61 -0.75 4.58 4.61 2r93G1 CYS 38 HB2 -0.44 0.28 -0.46 -0.04 2.97 2.31 2r93G1 CYS 38 HB3 -0.22 -0.14 -0.01 -0.04 2.97 2.55 2r93G1 THR 39 H 0.01 0.48 0.20 -0.55 8.28 8.41 2r93G1 THR 39 HA 0.00 0.31 0.96 -0.75 4.39 4.91 2r93G1 THR 39 HB 0.23 -0.27 -0.01 -0.04 4.32 4.23 2r93G1 THR 39 HG23 0.12 -0.03 0.12 -0.04 1.22 1.38 2r93G1 GLY 40 H -0.01 0.22 0.18 -0.55 8.43 8.27 2r93G1 GLY 40 HA2 -0.07 0.17 0.62 -0.51 4.01 4.22 2r93G1 GLY 40 HA3 -0.06 0.07 0.33 -0.51 4.01 3.84 2r93G1 LYS 41 H -0.03 -0.02 -0.11 -0.55 8.42 7.70 2r93G1 LYS 41 HA -0.30 0.27 0.70 -0.75 4.32 4.23 2r93G1 LYS 41 HB2 -0.09 -0.08 0.06 -0.04 1.87 1.72 2r93G1 LYS 41 HB3 -0.61 0.05 -0.05 -0.04 1.79 1.14 2r93G1 LYS 41 HG2 -0.42 0.04 0.07 -0.04 1.46 1.12 2r93G1 LYS 41 HG3 -0.21 0.03 -0.01 -0.04 1.46 1.23 2r93G1 LYS 41 HD2 -0.05 -0.03 -0.01 -0.04 1.69 1.56 2r93G1 LYS 41 HD3 -0.07 0.02 -0.00 -0.04 1.68 1.58 2r93G1 LYS 41 HE2 -0.10 0.02 0.00 -0.04 2.99 2.87 2r93G1 LYS 41 HE3 -0.09 0.00 -0.01 -0.04 2.99 2.85 2r93G1 PHE 42 H -0.00 -0.16 -0.36 -0.55 8.34 7.26 2r93G1 PHE 42 HA -0.09 0.22 0.63 -0.75 4.62 4.62 2r93G1 PHE 42 HB2 -0.04 -0.04 -0.17 -0.04 3.15 2.85 2r93G1 PHE 42 HB3 -0.04 0.00 -0.11 -0.04 3.06 2.87 2r93G1 PHE 42 HD2 -0.04 -0.08 -0.16 -0.04 7.28 6.96 2r93G1 PHE 42 HE2 -0.03 -0.01 -0.08 -0.04 7.38 7.23 2r93G1 PHE 42 HZ -0.01 0.00 -0.05 -0.04 7.32 7.22 2r93G1 GLY 43 H -0.01 0.00 -0.10 -0.55 8.43 7.78 2r93G1 GLY 43 HA2 -0.01 0.13 0.33 -0.51 4.01 3.95 2r93G1 GLY 43 HA3 -0.07 0.07 0.40 -0.51 4.01 3.90 2r93G1 TYR 44 H 0.09 0.44 0.18 -0.55 8.29 8.44 2r93G1 TYR 44 HA -0.03 0.25 0.83 -0.75 4.56 4.86 2r93G1 TYR 44 HB2 -0.02 0.09 0.27 -0.04 3.06 3.36 2r93G1 TYR 44 HB3 0.04 0.05 -0.06 -0.04 2.98 2.97 2r93G1 TYR 44 HD2 -0.06 -0.09 -0.08 -0.04 7.15 6.87 2r93G1 TYR 44 HE2 -0.06 0.03 -0.09 -0.04 6.85 6.69 2r93G1 ILE 45 H 0.01 0.40 0.03 -0.55 8.25 8.14 2r93G1 ILE 45 HA 0.05 0.04 0.47 -0.75 4.18 3.99 2r93G1 ILE 45 HB 0.00 0.04 0.07 -0.04 1.89 1.96 2r93G1 ILE 45 HG12 0.02 0.01 -0.25 -0.04 1.49 1.23 2r93G1 ILE 45 HG13 -0.00 0.01 -0.14 -0.04 1.21 1.03 2r93G1 ILE 45 HG23 0.04 -0.07 -0.43 -0.04 0.93 0.43 2r93G1 ILE 45 HD13 -0.01 -0.01 -0.21 -0.04 0.88 0.62 2r93G1 LEU 46 H 0.05 0.45 0.27 -0.55 8.37 8.60 2r93G1 LEU 46 HA 0.07 0.21 1.04 -0.75 4.35 4.92 2r93G1 LEU 46 HB2 0.04 0.23 0.16 -0.04 1.64 2.03 2r93G1 LEU 46 HB3 0.06 -0.06 0.01 -0.04 1.64 1.61 2r93G1 LEU 46 HG 0.12 0.04 -0.35 -0.04 1.64 1.41 2r93G1 LEU 46 HD13 -0.08 -0.02 -0.07 -0.04 0.93 0.72 2r93G1 LEU 46 HD23 0.15 0.02 -0.02 -0.04 0.89 1.00 2r93G1 CYS 47 H 0.04 0.21 0.22 -0.55 8.50 8.43 2r93G1 CYS 47 HA 0.05 0.06 0.44 -0.75 4.58 4.38 2r93G1 CYS 47 HB2 0.05 0.26 0.03 -0.04 2.97 3.26 2r93G1 CYS 47 HB3 0.05 -0.06 -0.09 -0.04 2.97 2.83 2r93G1 VAL 48 H 0.07 0.19 0.13 -0.55 8.24 8.08 2r93G1 VAL 48 HA 0.04 0.10 0.80 -0.75 4.13 4.33 2r93G1 VAL 48 HB 0.06 -0.03 0.10 -0.04 2.12 2.21 2r93G1 VAL 48 HG13 0.20 0.07 -0.02 -0.04 0.97 1.18 2r93G1 VAL 48 HG23 0.12 -0.01 -0.03 -0.04 0.95 0.99 2r93G1 LEU 49 H 0.02 0.28 0.32 -0.55 8.37 8.44 2r93G1 LEU 49 HA 0.05 0.08 0.56 -0.75 4.35 4.29 2r93G1 LEU 49 HB2 0.02 0.05 -0.09 -0.04 1.64 1.58 2r93G1 LEU 49 HB3 0.03 -0.05 0.10 -0.04 1.64 1.68 2r93G1 LEU 49 HG 0.01 -0.00 -0.04 -0.04 1.64 1.56 2r93G1 LEU 49 HD13 0.03 0.01 -0.08 -0.04 0.93 0.84 2r93G1 LEU 49 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.79 2r93G1 ASP 50 H 0.05 0.11 0.12 -0.55 8.40 8.13 2r93G1 ASP 50 HA 0.06 -0.03 0.33 -0.75 4.63 4.24 2r93G1 ASP 50 HB2 0.03 -0.01 -0.08 -0.04 2.71 2.62 2r93G1 ASP 50 HB3 0.03 0.17 -0.08 -0.04 2.70 2.79 2r93G1 TYR 51 H 0.18 0.08 -0.09 -0.55 8.29 7.90 2r93G1 TYR 51 HA 0.02 0.14 0.25 -0.75 4.56 4.22 2r93G1 TYR 51 HB2 0.00 0.07 0.07 -0.04 3.06 3.16 2r93G1 TYR 51 HB3 0.00 -0.10 0.11 -0.04 2.98 2.95 2r93G1 TYR 51 HD2 -0.01 0.04 -0.44 -0.04 7.15 6.70 2r93G1 TYR 51 HE2 -0.03 0.01 -0.06 -0.04 6.85 6.72 2r93G1 ASP 52 H 0.20 0.02 -0.14 -0.55 8.40 7.94 2r93G1 ASP 52 HA 0.26 0.04 0.32 -0.75 4.63 4.49 2r93G1 ASP 52 HB2 0.08 -0.07 0.06 -0.04 2.71 2.74 2r93G1 ASP 52 HB3 0.06 0.06 -0.10 -0.04 2.70 2.68 2r93G1 ASN 53 H 0.06 0.21 -0.39 -0.55 8.53 7.86 2r93G1 ASN 53 HA 0.02 0.27 1.11 -0.75 4.76 5.41 2r93G1 ASN 53 HB2 0.03 -0.01 0.09 -0.04 2.88 2.94 2r93G1 ASN 53 HB3 0.02 -0.01 0.17 -0.04 2.79 2.93 2r93G1 ASN 53 HD21 0.02 -0.02 -0.04 -0.04 7.03 6.95 2r93G1 ASN 53 HD22 0.02 0.00 -0.01 -0.04 7.74 7.71 2r93G1 ILE 54 H -0.03 0.27 -0.16 -0.55 8.25 7.78 2r93G1 ILE 54 HA -0.01 0.09 0.60 -0.75 4.18 4.11 2r93G1 ILE 54 HB -0.13 -0.08 0.02 -0.04 1.89 1.66 2r93G1 ILE 54 HG12 -0.08 0.00 0.04 -0.04 1.49 1.41 2r93G1 ILE 54 HG13 -0.16 0.48 0.20 -0.04 1.21 1.68 2r93G1 ILE 54 HG23 -0.08 0.01 -0.04 -0.04 0.93 0.78 2r93G1 ILE 54 HD13 -0.42 -0.06 0.02 -0.04 0.88 0.37 2r93G1 ASP 55 H 0.00 0.44 0.29 -0.55 8.40 8.59 2r93G1 ASP 55 HA -0.01 0.04 0.73 -0.75 4.63 4.64 2r93G1 ASP 55 HB2 0.02 0.08 0.16 -0.04 2.71 2.92 2r93G1 ASP 55 HB3 0.02 -0.04 0.22 -0.04 2.70 2.85 2r93G1 ILE 56 H -0.02 0.08 0.21 -0.55 8.25 7.97 2r93G1 ILE 56 HA -0.04 0.18 0.89 -0.75 4.18 4.46 2r93G1 ILE 56 HB -0.06 0.08 0.03 -0.04 1.89 1.89 2r93G1 ILE 56 HG12 -0.14 0.03 -0.19 -0.04 1.49 1.14 2r93G1 ILE 56 HG13 -0.08 0.06 -0.01 -0.04 1.21 1.13 2r93G1 ILE 56 HG23 -0.33 -0.02 -0.02 -0.04 0.93 0.52 2r93G1 ILE 56 HD13 -0.18 -0.01 0.03 -0.04 0.88 0.67 2r93G1 GLN 57 H 0.03 -0.08 0.09 -0.55 8.47 7.97 2r93G1 GLN 57 HA 0.05 -0.01 0.32 -0.75 4.36 3.96 2r93G1 GLN 57 HB2 0.08 0.26 -0.08 -0.04 2.15 2.37 2r93G1 GLN 57 HB3 0.05 -0.07 0.18 -0.04 2.02 2.15 2r93G1 GLN 57 HG2 0.03 -0.03 0.00 -0.04 2.40 2.37 2r93G1 GLN 57 HG3 0.03 -0.10 -0.29 -0.04 2.39 2.00 2r93G1 GLN 57 HE21 0.02 0.00 -0.00 -0.04 6.97 6.95 2r93G1 GLN 57 HE22 0.02 -0.04 0.00 -0.04 7.69 7.63 2r93G1 ARG 58 H 0.06 0.09 0.16 -0.55 8.46 8.21 2r93G1 ARG 58 HA 0.15 0.07 0.67 -0.75 4.34 4.48 2r93G1 ARG 58 HB2 0.03 -0.05 0.15 -0.04 1.90 1.99 2r93G1 ARG 58 HB3 0.02 0.14 0.00 -0.04 1.80 1.92 2r93G1 ARG 58 HG2 0.06 0.03 0.03 -0.04 1.67 1.76 2r93G1 ARG 58 HG3 0.05 -0.08 -0.03 -0.04 1.67 1.57 2r93G1 ARG 58 HD2 0.03 -0.03 0.03 -0.04 3.22 3.21 2r93G1 ARG 58 HD3 0.02 0.03 0.02 -0.04 3.22 3.25 2r93G1 GLY 59 H 0.05 0.08 0.13 -0.55 8.43 8.14 2r93G1 GLY 59 HA2 -0.35 0.23 0.74 -0.51 4.01 4.12 2r93G1 GLY 59 HA3 -1.75 -0.05 0.07 -0.51 4.01 1.77 2r93G1 ARG 60 H -0.24 0.44 0.27 -0.55 8.46 8.38 2r93G1 ARG 60 HA -0.09 0.17 0.91 -0.75 4.34 4.58 2r93G1 ARG 60 HB2 -0.05 0.02 0.07 -0.04 1.90 1.90 2r93G1 ARG 60 HB3 -0.07 0.02 -0.00 -0.04 1.80 1.71 2r93G1 ARG 60 HG2 -0.07 0.04 0.08 -0.04 1.67 1.68 2r93G1 ARG 60 HG3 -0.07 -0.07 -0.22 -0.04 1.67 1.26 2r93G1 ARG 60 HD2 -0.03 0.05 -0.09 -0.04 3.22 3.11 2r93G1 ARG 60 HD3 -0.03 -0.02 -0.04 -0.04 3.22 3.09 2r93G1 ILE 61 H -0.04 0.13 0.15 -0.55 8.25 7.94 2r93G1 ILE 61 HA -0.02 0.11 0.83 -0.75 4.18 4.36 2r93G1 ILE 61 HB -0.03 -0.05 0.15 -0.04 1.89 1.91 2r93G1 ILE 61 HG12 0.05 0.00 -0.05 -0.04 1.49 1.45 2r93G1 ILE 61 HG13 -0.01 -0.09 0.10 -0.04 1.21 1.17 2r93G1 ILE 61 HG23 -0.04 0.15 0.00 -0.04 0.93 1.00 2r93G1 ILE 61 HD13 -0.03 -0.01 0.02 -0.04 0.88 0.82 2r93G1 LEU 62 H -0.01 0.66 0.39 -0.55 8.37 8.85 2r93G1 LEU 62 HA -0.02 0.01 0.38 -0.75 4.35 3.97 2r93G1 LEU 62 HB2 0.00 0.10 0.07 -0.04 1.64 1.77 2r93G1 LEU 62 HB3 -0.00 -0.08 0.05 -0.04 1.64 1.56 2r93G1 LEU 62 HG -0.01 0.02 -0.03 -0.04 1.64 1.58 2r93G1 LEU 62 HD13 0.01 -0.03 -0.08 -0.04 0.93 0.79 2r93G1 LEU 62 HD23 -0.01 -0.00 -0.01 -0.04 0.89 0.82 2r93G1 PRO 63 HA -0.02 0.46 1.37 -0.51 4.44 5.74 2r93G1 PRO 63 HB2 -0.01 -0.03 0.24 -0.04 2.28 2.44 2r93G1 PRO 63 HB3 -0.02 0.05 0.03 -0.04 2.02 2.04 2r93G1 PRO 63 HG2 -0.01 -0.00 0.04 -0.04 2.03 2.02 2r93G1 PRO 63 HG3 -0.02 0.17 -0.08 -0.04 2.03 2.05 2r93G1 PRO 63 HD2 -0.01 0.06 0.13 -0.04 3.68 3.82 2r93G1 PRO 63 HD3 -0.01 0.07 0.18 -0.04 3.65 3.85 2r93G1 THR 64 H -0.02 0.04 -0.05 -0.55 8.28 7.71 2r93G1 THR 64 HA -0.01 0.12 0.53 -0.75 4.39 4.27 2r93G1 THR 64 HB -0.01 -0.07 -0.16 -0.04 4.32 4.04 2r93G1 THR 64 HG23 -0.01 -0.02 -0.15 -0.04 1.22 1.00 2r93G1 ASP 65 H -0.01 0.09 0.15 -0.55 8.40 8.08 2r93G1 ASP 65 HA -0.01 0.18 0.75 -0.75 4.63 4.80 2r93G1 ASP 65 HB2 0.04 -0.06 0.12 -0.04 2.71 2.76 2r93G1 ASP 65 HB3 0.01 0.08 -0.05 -0.04 2.70 2.70 2r93G1 GLY 66 H -0.06 0.11 0.14 -0.55 8.43 8.07 2r93G1 GLY 66 HA2 -0.12 0.15 0.33 -0.51 4.01 3.87 2r93G1 GLY 66 HA3 -0.21 -0.02 0.34 -0.51 4.01 3.61 2r93G1 SER 67 H 0.02 -0.09 -0.22 -0.55 8.46 7.61 2r93G1 SER 67 HA 0.17 0.24 0.46 -0.75 4.49 4.60 2r93G1 SER 67 HB2 0.05 -0.05 -0.05 -0.04 3.95 3.86 2r93G1 SER 67 HB3 0.08 0.05 -0.20 -0.04 3.93 3.82 2r93G1 ALA 68 H 0.27 0.37 0.28 -0.55 8.40 8.77 2r93G1 ALA 68 HA -0.02 0.22 1.00 -0.75 4.34 4.79 2r93G1 ALA 68 HB3 0.02 -0.01 -0.10 -0.04 1.41 1.27 2r93G1 GLU 69 H -0.21 0.81 0.34 -0.55 8.60 9.00 2r93G1 GLU 69 HA -0.02 0.30 1.21 -0.75 4.29 5.02 2r93G1 GLU 69 HB2 -0.03 -0.05 -0.09 -0.04 2.09 1.89 2r93G1 GLU 69 HB3 -0.07 -0.02 0.15 -0.04 1.99 2.01 2r93G1 GLU 69 HG2 -0.01 -0.00 -0.38 -0.04 2.34 1.91 2r93G1 GLU 69 HG3 0.01 0.03 -0.30 -0.04 2.34 2.04 2r93G1 PHE 70 H 0.24 0.47 0.32 -0.55 8.34 8.82 2r93G1 PHE 70 HA -0.01 0.18 0.94 -0.75 4.62 4.97 2r93G1 PHE 70 HB2 -0.04 -0.07 0.08 -0.04 3.15 3.08 2r93G1 PHE 70 HB3 -0.03 0.27 -0.02 -0.04 3.06 3.24 2r93G1 PHE 70 HD2 -0.03 0.19 -0.10 -0.04 7.28 7.30 2r93G1 PHE 70 HE2 -0.11 -0.01 -0.05 -0.04 7.38 7.16 2r93G1 PHE 70 HZ -0.23 0.02 -0.09 -0.04 7.32 6.98 2r93G1 ASN 71 H 0.10 0.27 0.05 -0.55 8.53 8.39 2r93G1 ASN 71 HA 0.03 0.13 0.67 -0.75 4.76 4.83 2r93G1 ASN 71 HB2 0.02 -0.01 0.01 -0.04 2.88 2.86 2r93G1 ASN 71 HB3 0.03 -0.00 0.16 -0.04 2.79 2.94 2r93G1 ASN 71 HD21 0.02 -0.00 -0.10 -0.04 7.03 6.90 2r93G1 ASN 71 HD22 0.02 -0.01 -0.05 -0.04 7.74 7.66 2r93G1 VAL 72 H 0.01 0.37 0.05 -0.55 8.24 8.12 2r93G1 VAL 72 HA -0.01 0.21 0.54 -0.75 4.13 4.11 2r93G1 VAL 72 HB -0.13 0.04 0.19 -0.04 2.12 2.18 2r93G1 VAL 72 HG13 -0.19 -0.01 -0.24 -0.04 0.97 0.50 2r93G1 VAL 72 HG23 -0.08 -0.01 -0.04 -0.04 0.95 0.77 2r93G1 LYS 73 H 0.02 0.28 0.32 -0.55 8.42 8.48 2r93G1 LYS 73 HA 0.11 0.07 0.83 -0.75 4.32 4.58 2r93G1 LYS 73 HB2 0.04 0.01 0.10 -0.04 1.87 1.98 2r93G1 LYS 73 HB3 0.04 -0.08 0.21 -0.04 1.79 1.91 2r93G1 LYS 73 HG2 0.04 -0.08 -0.00 -0.04 1.46 1.37 2r93G1 LYS 73 HG3 0.06 0.01 -0.17 -0.04 1.46 1.32 2r93G1 LYS 73 HD2 0.08 0.04 0.07 -0.04 1.69 1.83 2r93G1 LYS 73 HD3 0.04 -0.10 -0.04 -0.04 1.68 1.54 2r93G1 LYS 73 HE2 0.03 0.46 0.16 -0.04 2.99 3.60 2r93G1 LYS 73 HE3 0.02 -0.07 -0.24 -0.04 2.99 2.67 2r93G1 TYR 74 H 0.42 0.72 0.35 -0.55 8.29 9.23 2r93G1 TYR 74 HA -0.04 0.13 0.67 -0.75 4.56 4.57 2r93G1 TYR 74 HB2 -0.06 -0.03 0.15 -0.04 3.06 3.08 2r93G1 TYR 74 HB3 -0.07 0.04 -0.20 -0.04 2.98 2.71 2r93G1 TYR 74 HD2 -0.06 0.12 -0.22 -0.04 7.15 6.95 2r93G1 TYR 74 HE2 -0.08 -0.08 -0.31 -0.04 6.85 6.33 2r93G1 ARG 75 H -0.03 0.34 0.19 -0.55 8.46 8.41 2r93G1 ARG 75 HA -0.28 0.10 0.82 -0.75 4.34 4.23 2r93G1 ARG 75 HB2 -0.05 0.07 -0.05 -0.04 1.90 1.82 2r93G1 ARG 75 HB3 -0.03 -0.01 -0.03 -0.04 1.80 1.69 2r93G1 ARG 75 HG2 -0.04 -0.07 -0.37 -0.04 1.67 1.15 2r93G1 ARG 75 HG3 -0.05 0.07 -0.15 -0.04 1.67 1.50 2r93G1 ARG 75 HD2 -0.00 -0.03 -0.11 -0.04 3.22 3.04 2r93G1 ARG 75 HD3 0.00 -0.01 -0.11 -0.04 3.22 3.06 2r93G1 ALA 76 H -0.18 0.60 0.27 -0.55 8.40 8.54 2r93G1 ALA 76 HA -0.04 -0.07 0.72 -0.75 4.34 4.20 2r93G1 ALA 76 HB3 -0.11 0.06 -0.14 -0.04 1.41 1.18 2r93G1 VAL 77 H 0.02 0.63 0.39 -0.55 8.24 8.73 2r93G1 VAL 77 HA 0.07 0.27 1.09 -0.75 4.13 4.81 2r93G1 VAL 77 HB 0.06 -0.05 0.24 -0.04 2.12 2.33 2r93G1 VAL 77 HG13 0.10 0.02 -0.15 -0.04 0.97 0.90 2r93G1 VAL 77 HG23 0.08 -0.01 -0.01 -0.04 0.95 0.96 2r93G1 VAL 78 H 0.11 0.66 0.45 -0.55 8.24 8.91 2r93G1 VAL 78 HA 0.05 0.31 1.15 -0.75 4.13 4.89 2r93G1 VAL 78 HB 0.09 0.09 0.00 -0.04 2.12 2.26 2r93G1 VAL 78 HG13 0.06 0.01 -0.28 -0.04 0.97 0.72 2r93G1 VAL 78 HG23 0.12 -0.03 -0.05 -0.04 0.95 0.96 2r93G1 PHE 79 H 0.06 0.42 0.20 -0.55 8.34 8.46 2r93G1 PHE 79 HA 0.08 0.10 0.65 -0.75 4.62 4.69 2r93G1 PHE 79 HB2 -1.19 0.02 0.05 -0.04 3.15 1.99 2r93G1 PHE 79 HB3 -0.70 -0.01 -0.11 -0.04 3.06 2.21 2r93G1 PHE 79 HD2 -0.11 0.03 -0.10 -0.04 7.28 7.05 2r93G1 PHE 79 HE2 -0.20 -0.05 -0.07 -0.04 7.38 7.01 2r93G1 PHE 79 HZ -0.11 0.04 -0.05 -0.04 7.32 7.15 2r93G1 LYS 80 H 0.11 0.33 0.01 -0.55 8.42 8.32 2r93G1 LYS 80 HA -0.64 0.13 0.89 -0.75 4.32 3.95 2r93G1 LYS 80 HB2 -0.33 0.03 -0.02 -0.04 1.87 1.51 2r93G1 LYS 80 HB3 -0.20 -0.05 -0.23 -0.04 1.79 1.26 2r93G1 LYS 80 HG2 -0.64 0.12 -0.01 -0.04 1.46 0.88 2r93G1 LYS 80 HG3 -0.42 -0.00 -0.18 -0.04 1.46 0.82 2r93G1 LYS 80 HD2 -0.18 0.04 -0.25 -0.04 1.69 1.26 2r93G1 LYS 80 HD3 0.00 -0.15 -0.02 -0.04 1.68 1.47 2r93G1 LYS 80 HE2 0.17 0.04 -0.02 -0.04 2.99 3.14 2r93G1 LYS 80 HE3 -0.28 -0.00 -0.08 -0.04 2.99 2.59 2r93G1 PRO 81 HA 0.27 0.06 0.29 -0.51 4.44 4.54 2r93G1 PRO 81 HB2 0.05 0.03 -0.10 -0.04 2.28 2.23 2r93G1 PRO 81 HB3 0.11 0.02 -0.02 -0.04 2.02 2.08 2r93G1 PRO 81 HG2 -0.17 0.00 -0.19 -0.04 2.03 1.64 2r93G1 PRO 81 HG3 -0.15 0.06 -0.13 -0.04 2.03 1.77 2r93G1 PRO 81 HD2 -0.52 0.06 0.14 -0.04 3.68 3.33 2r93G1 PRO 81 HD3 -1.04 0.15 0.00 -0.04 3.65 2.72 2r93G1 PHE 82 H 0.30 0.21 0.11 -0.55 8.34 8.40 2r93G1 PHE 82 HA 0.01 0.13 0.60 -0.75 4.62 4.60 2r93G1 PHE 82 HB2 0.06 -0.04 -0.13 -0.04 3.15 3.00 2r93G1 PHE 82 HB3 0.03 0.05 0.03 -0.04 3.06 3.13 2r93G1 PHE 82 HD2 0.06 -0.15 -0.19 -0.04 7.28 6.96 2r93G1 PHE 82 HE2 0.14 -0.02 -0.02 -0.04 7.38 7.45 2r93G1 PHE 82 HZ -0.16 -0.06 -0.04 -0.04 7.32 7.02 2r93G1 LYS 83 H 0.17 0.12 0.09 -0.55 8.42 8.25 2r93G1 LYS 83 HA 0.08 0.19 0.36 -0.75 4.32 4.20 2r93G1 LYS 83 HB2 0.07 -0.04 0.11 -0.04 1.87 1.97 2r93G1 LYS 83 HB3 0.05 0.33 0.16 -0.04 1.79 2.29 2r93G1 LYS 83 HG2 0.04 -0.17 -0.03 -0.04 1.46 1.25 2r93G1 LYS 83 HG3 0.04 -0.06 0.05 -0.04 1.46 1.45 2r93G1 LYS 83 HD2 0.03 0.02 0.09 -0.04 1.69 1.79 2r93G1 LYS 83 HD3 0.02 0.09 0.17 -0.04 1.68 1.92 2r93G1 LYS 83 HE2 0.01 -0.41 0.21 -0.04 2.99 2.75 2r93G1 LYS 83 HE3 -0.01 0.04 0.08 -0.04 2.99 3.06 2r93G1 GLY 84 H 0.06 0.63 0.36 -0.55 8.43 8.93 2r93G1 GLY 84 HA2 0.04 -0.05 0.30 -0.51 4.01 3.80 2r93G1 GLY 84 HA3 0.04 0.04 0.47 -0.51 4.01 4.06 2r93G1 GLU 85 H 0.08 0.26 -0.03 -0.55 8.60 8.37 2r93G1 GLU 85 HA 0.04 0.21 0.86 -0.75 4.29 4.65 2r93G1 GLU 85 HB2 0.14 0.02 -0.17 -0.04 2.09 2.04 2r93G1 GLU 85 HB3 0.15 -0.02 0.01 -0.04 1.99 2.08 2r93G1 GLU 85 HG2 0.08 -0.02 -0.09 -0.04 2.34 2.26 2r93G1 GLU 85 HG3 0.05 0.06 0.01 -0.04 2.34 2.42 2r93G1 VAL 86 H 0.03 0.23 0.11 -0.55 8.24 8.06 2r93G1 VAL 86 HA 0.05 0.24 1.30 -0.75 4.13 4.97 2r93G1 VAL 86 HB 0.01 -0.02 0.11 -0.04 2.12 2.17 2r93G1 VAL 86 HG13 0.03 0.02 -0.21 -0.04 0.97 0.77 2r93G1 VAL 86 HG23 0.02 -0.01 -0.24 -0.04 0.95 0.69 2r93G1 VAL 87 H 0.05 0.48 0.26 -0.55 8.24 8.48 2r93G1 VAL 87 HA 0.01 0.19 0.86 -0.75 4.13 4.44 2r93G1 VAL 87 HB 0.03 0.02 -0.03 -0.04 2.12 2.10 2r93G1 VAL 87 HG13 0.07 0.00 -0.17 -0.04 0.97 0.83 2r93G1 VAL 87 HG23 0.10 -0.03 -0.17 -0.04 0.95 0.81 2r93G1 ASP 88 H -0.01 0.24 0.19 -0.55 8.40 8.27 2r93G1 ASP 88 HA 0.01 -0.01 1.00 -0.75 4.63 4.88 2r93G1 ASP 88 HB2 -0.01 0.15 0.09 -0.04 2.71 2.89 2r93G1 ASP 88 HB3 -0.00 -0.05 0.21 -0.04 2.70 2.82 2r93G1 GLY 89 H 0.00 0.20 0.08 -0.55 8.43 8.17 2r93G1 GLY 89 HA2 -0.02 0.18 0.67 -0.51 4.01 4.34 2r93G1 GLY 89 HA3 0.01 -0.01 0.03 -0.51 4.01 3.52 2r93G1 THR 90 H -0.00 0.33 0.17 -0.55 8.28 8.23 2r93G1 THR 90 HA -0.03 0.21 1.06 -0.75 4.39 4.87 2r93G1 THR 90 HB -0.00 -0.02 0.15 -0.04 4.32 4.41 2r93G1 THR 90 HG23 -0.02 0.16 -0.05 -0.04 1.22 1.27 2r93G1 VAL 91 H -0.07 0.43 0.22 -0.55 8.24 8.26 2r93G1 VAL 91 HA 0.00 -0.08 0.48 -0.75 4.13 3.77 2r93G1 VAL 91 HB -0.08 0.53 0.21 -0.04 2.12 2.74 2r93G1 VAL 91 HG13 -0.03 -0.07 -0.19 -0.04 0.97 0.64 2r93G1 VAL 91 HG23 -0.33 0.03 0.07 -0.04 0.95 0.69 2r93G1 VAL 92 H 0.07 0.63 0.35 -0.55 8.24 8.73 2r93G1 VAL 92 HA 0.03 0.16 0.92 -0.75 4.13 4.48 2r93G1 VAL 92 HB 0.05 -0.16 0.21 -0.04 2.12 2.18 2r93G1 VAL 92 HG13 0.03 -0.02 -0.05 -0.04 0.97 0.89 2r93G1 VAL 92 HG23 0.05 0.03 -0.11 -0.04 0.95 0.87 2r93G1 SER 93 H 0.06 0.11 0.23 -0.55 8.46 8.32 2r93G1 SER 93 HA 0.05 0.19 0.73 -0.75 4.49 4.71 2r93G1 SER 93 HB2 0.01 -0.03 0.08 -0.04 3.95 3.98 2r93G1 SER 93 HB3 0.02 0.03 0.06 -0.04 3.93 3.99 2r93G1 CYS 94 H 0.08 0.21 0.12 -0.55 8.50 8.36 2r93G1 CYS 94 HA 0.17 0.12 0.74 -0.75 4.58 4.86 2r93G1 CYS 94 HB2 0.21 0.09 -0.16 -0.04 2.97 3.07 2r93G1 CYS 94 HB3 0.18 0.02 -0.18 -0.04 2.97 2.96 2r93G1 SER 95 H 0.12 0.88 0.32 -0.55 8.46 9.23 2r93G1 SER 95 HA 0.16 0.27 0.90 -0.75 4.49 5.06 2r93G1 SER 95 HB2 -0.04 -0.09 0.20 -0.04 3.95 3.98 2r93G1 SER 95 HB3 -0.02 0.07 -0.09 -0.04 3.93 3.85 2r93G1 GLN 96 H -0.20 0.19 0.15 -0.55 8.47 8.06 2r93G1 GLN 96 HA -2.35 0.13 0.42 -0.75 4.36 1.81 2r93G1 GLN 96 HB2 -0.13 0.04 0.13 -0.04 2.15 2.14 2r93G1 GLN 96 HB3 -0.15 0.03 0.12 -0.04 2.02 1.98 2r93G1 GLN 96 HG2 -0.00 -0.03 0.14 -0.04 2.40 2.46 2r93G1 GLN 96 HG3 0.32 -0.00 -0.04 -0.04 2.39 2.63 2r93G1 GLN 96 HE21 0.09 0.02 0.02 -0.04 6.97 7.06 2r93G1 GLN 96 HE22 0.08 0.00 0.04 -0.04 7.69 7.77 2r93G1 HIS 97 H 0.05 0.01 -0.53 -0.55 8.41 7.40 2r93G1 HIS 97 HA -0.06 0.21 0.95 -0.75 4.63 4.97 2r93G1 HIS 97 HB2 0.05 0.02 -0.05 -0.04 3.26 3.23 2r93G1 HIS 97 HB3 0.12 -0.03 0.11 -0.04 3.20 3.36 2r93G1 HIS 97 HD2 0.04 0.00 -0.02 -0.04 6.97 6.94 2r93G1 HIS 97 HE1 -0.02 0.02 -0.06 -0.04 7.75 7.65 2r93G1 GLY 98 H 0.10 0.37 -0.13 -0.55 8.43 8.22 2r93G1 GLY 98 HA2 -0.26 0.06 0.22 -0.51 4.01 3.53 2r93G1 GLY 98 HA3 -0.01 0.43 0.91 -0.51 4.01 4.83 2r93G1 PHE 99 H -0.76 0.30 0.22 -0.55 8.34 7.55 2r93G1 PHE 99 HA 0.07 0.14 1.02 -0.75 4.62 5.10 2r93G1 PHE 99 HB2 0.01 0.13 0.04 -0.04 3.15 3.29 2r93G1 PHE 99 HB3 -0.10 0.00 -0.05 -0.04 3.06 2.88 2r93G1 PHE 99 HD2 -0.20 -0.00 -0.38 -0.04 7.28 6.65 2r93G1 PHE 99 HE2 -0.10 -0.01 -0.12 -0.04 7.38 7.10 2r93G1 PHE 99 HZ -0.07 0.00 -0.13 -0.04 7.32 7.08 2r93G1 GLU 100 H 0.27 0.70 0.24 -0.55 8.60 9.26 2r93G1 GLU 100 HA 0.38 0.14 1.11 -0.75 4.29 5.16 2r93G1 GLU 100 HB2 0.05 -0.06 -0.16 -0.04 2.09 1.88 2r93G1 GLU 100 HB3 0.10 -0.14 0.13 -0.04 1.99 2.04 2r93G1 GLU 100 HG2 0.14 0.10 -0.28 -0.04 2.34 2.26 2r93G1 GLU 100 HG3 0.22 0.02 -0.41 -0.04 2.34 2.12 2r93G1 VAL 101 H 0.27 0.49 0.27 -0.55 8.24 8.72 2r93G1 VAL 101 HA 0.07 0.12 0.53 -0.75 4.13 4.10 2r93G1 VAL 101 HB 0.14 -0.01 -0.07 -0.04 2.12 2.14 2r93G1 VAL 101 HG13 0.03 -0.02 -0.50 -0.04 0.97 0.44 2r93G1 VAL 101 HG23 0.10 0.00 -0.17 -0.04 0.95 0.84 2r93G1 GLN 102 H 0.04 0.49 -0.03 -0.55 8.47 8.43 2r93G1 GLN 102 HA 0.08 0.16 1.18 -0.75 4.36 5.02 2r93G1 GLN 102 HB2 0.06 -0.06 -0.08 -0.04 2.15 2.03 2r93G1 GLN 102 HB3 0.04 0.02 0.23 -0.04 2.02 2.27 2r93G1 GLN 102 HG2 0.04 -0.09 -0.05 -0.04 2.40 2.26 2r93G1 GLN 102 HG3 0.06 0.49 -0.09 -0.04 2.39 2.81 2r93G1 GLN 102 HE21 0.04 -0.08 -0.02 -0.04 6.97 6.88 2r93G1 GLN 102 HE22 0.03 -0.05 0.01 -0.04 7.69 7.65 2r93G1 VAL 103 H 0.07 0.09 -0.17 -0.55 8.24 7.68 2r93G1 VAL 103 HA -0.00 0.06 0.53 -0.75 4.13 3.97 2r93G1 VAL 103 HB 0.10 -0.04 -0.02 -0.04 2.12 2.12 2r93G1 VAL 103 HG13 -0.00 0.00 -0.20 -0.04 0.97 0.73 2r93G1 VAL 103 HG23 0.05 0.01 -0.42 -0.04 0.95 0.55 2r93G1 GLY 104 H -0.03 0.18 0.22 -0.55 8.43 8.25 2r93G1 GLY 104 HA2 -0.03 0.01 0.33 -0.51 4.01 3.81 2r93G1 GLY 104 HA3 -0.19 0.04 0.44 -0.51 4.01 3.79 2r93G1 PRO 105 HA 0.11 0.08 0.47 -0.51 4.44 4.58 2r93G1 PRO 105 HB2 0.43 0.05 0.05 -0.04 2.28 2.77 2r93G1 PRO 105 HB3 0.19 0.00 0.12 -0.04 2.02 2.29 2r93G1 PRO 105 HG2 -0.06 0.04 0.05 -0.04 2.03 2.02 2r93G1 PRO 105 HG3 0.22 0.03 0.07 -0.04 2.03 2.31 2r93G1 PRO 105 HD2 -0.38 0.13 0.25 -0.04 3.68 3.64 2r93G1 PRO 105 HD3 -0.07 0.08 0.18 -0.04 3.65 3.80 2r93G1 MET 106 H 0.06 0.17 -0.29 -0.55 8.47 7.86 2r93G1 MET 106 HA -0.02 0.11 0.62 -0.75 4.52 4.47 2r93G1 MET 106 HB2 -0.27 -0.04 0.05 -0.04 2.15 1.86 2r93G1 MET 106 HB3 0.22 0.19 0.05 -0.04 2.03 2.45 2r93G1 MET 106 HG2 0.07 -0.09 -0.24 -0.04 2.63 2.34 2r93G1 MET 106 HG3 -0.06 0.27 0.16 -0.04 2.56 2.89 2r93G1 MET 106 HE3 0.33 0.03 -0.11 -0.04 2.10 2.31 2r93G1 LYS 107 H 0.02 0.24 0.12 -0.55 8.42 8.24 2r93G1 LYS 107 HA 0.12 0.20 0.87 -0.75 4.32 4.75 2r93G1 LYS 107 HB2 0.24 -0.06 0.07 -0.04 1.87 2.09 2r93G1 LYS 107 HB3 0.20 -0.04 -0.07 -0.04 1.79 1.84 2r93G1 LYS 107 HG2 0.10 0.09 -0.08 -0.04 1.46 1.54 2r93G1 LYS 107 HG3 0.11 0.08 -0.33 -0.04 1.46 1.28 2r93G1 LYS 107 HD2 0.17 -0.03 -0.08 -0.04 1.69 1.70 2r93G1 LYS 107 HD3 0.11 -0.07 -0.10 -0.04 1.68 1.59 2r93G1 LYS 107 HE2 0.07 0.03 -0.08 -0.04 2.99 2.98 2r93G1 LYS 107 HE3 0.08 0.05 -0.08 -0.04 2.99 3.01 2r93G1 VAL 108 H 0.14 0.34 0.15 -0.55 8.24 8.32 2r93G1 VAL 108 HA 0.16 0.25 0.99 -0.75 4.13 4.78 2r93G1 VAL 108 HB 0.12 -0.07 -0.02 -0.04 2.12 2.11 2r93G1 VAL 108 HG13 0.09 0.01 -0.32 -0.04 0.97 0.71 2r93G1 VAL 108 HG23 0.11 -0.01 -0.17 -0.04 0.95 0.83 2r93G1 PHE 109 H 0.22 0.50 0.43 -0.55 8.34 8.94 2r93G1 PHE 109 HA 0.04 0.16 1.05 -0.75 4.62 5.12 2r93G1 PHE 109 HB2 0.02 0.00 -0.07 -0.04 3.15 3.06 2r93G1 PHE 109 HB3 0.01 -0.01 0.08 -0.04 3.06 3.10 2r93G1 PHE 109 HD2 -0.05 0.17 -0.16 -0.04 7.28 7.21 2r93G1 PHE 109 HE2 -0.07 -0.09 -0.32 -0.04 7.38 6.86 2r93G1 PHE 109 HZ -0.02 0.02 -0.29 -0.04 7.32 7.00 2r93G1 VAL 110 H -0.25 0.72 0.32 -0.55 8.24 8.48 2r93G1 VAL 110 HA -0.52 0.13 1.15 -0.75 4.13 4.13 2r93G1 VAL 110 HB -1.23 -0.06 0.12 -0.04 2.12 0.92 2r93G1 VAL 110 HG13 -0.34 0.08 -0.10 -0.04 0.97 0.57 2r93G1 VAL 110 HG23 0.01 0.06 -0.21 -0.04 0.95 0.77 2r93G1 THR 111 H -0.55 0.12 0.15 -0.55 8.28 7.45 2r93G1 THR 111 HA -0.47 0.28 0.50 -0.75 4.39 3.94 2r93G1 THR 111 HB -0.18 -0.04 0.01 -0.04 4.32 4.07 2r93G1 THR 111 HG23 -0.04 -0.17 0.03 -0.04 1.22 0.99 2r93G1 LYS 112 H -0.17 0.38 0.19 -0.55 8.42 8.27 2r93G1 LYS 112 HA -0.12 0.10 0.27 -0.75 4.32 3.82 2r93G1 LYS 112 HB2 -0.07 0.01 -0.13 -0.04 1.87 1.65 2r93G1 LYS 112 HB3 -0.32 -0.05 0.12 -0.04 1.79 1.50 2r93G1 LYS 112 HG2 -0.37 0.01 0.00 -0.04 1.46 1.06 2r93G1 LYS 112 HG3 -0.88 -0.01 -0.30 -0.04 1.46 0.23 2r93G1 LYS 112 HD2 0.04 0.07 0.06 -0.04 1.69 1.82 2r93G1 LYS 112 HD3 0.02 -0.02 -0.04 -0.04 1.68 1.60 2r93G1 LYS 112 HE2 -0.06 -0.04 0.04 -0.04 2.99 2.89 2r93G1 LYS 112 HE3 -0.07 0.00 0.02 -0.04 2.99 2.90 2r93G1 HIS 113 H -0.15 -0.02 -0.47 -0.55 8.41 7.22 2r93G1 HIS 113 HA -0.03 0.29 0.78 -0.75 4.63 4.92 2r93G1 HIS 113 HB2 -0.06 -0.04 0.02 -0.04 3.26 3.15 2r93G1 HIS 113 HB3 -0.04 0.03 0.15 -0.04 3.20 3.30 2r93G1 HIS 113 HD2 -0.06 -0.02 -0.01 -0.04 6.97 6.83 2r93G1 HIS 113 HE1 -0.02 0.01 -0.03 -0.04 7.75 7.67 2r93G1 LEU 114 H -0.12 0.61 -0.34 -0.55 8.37 7.98 2r93G1 LEU 114 HA -0.03 0.19 0.88 -0.75 4.35 4.65 2r93G1 LEU 114 HB2 -0.14 -0.15 0.03 -0.04 1.64 1.33 2r93G1 LEU 114 HB3 -0.16 0.06 0.11 -0.04 1.64 1.61 2r93G1 LEU 114 HG -0.05 -0.09 0.13 -0.04 1.64 1.59 2r93G1 LEU 114 HD13 -0.03 0.03 -0.00 -0.04 0.93 0.89 2r93G1 LEU 114 HD23 -0.10 0.04 -0.17 -0.04 0.89 0.62 2r93G1 MET 115 H -0.05 0.15 -0.26 -0.55 8.47 7.76 2r93G1 MET 115 HA -0.01 0.02 0.57 -0.75 4.52 4.35 2r93G1 MET 115 HB2 0.03 0.22 0.07 -0.04 2.15 2.42 2r93G1 MET 115 HB3 0.01 -0.05 0.04 -0.04 2.03 1.99 2r93G1 MET 115 HG2 -0.25 -0.05 -0.19 -0.04 2.63 2.11 2r93G1 MET 115 HG3 -0.12 -0.07 -0.11 -0.04 2.56 2.22 2r93G1 MET 115 HE3 -0.75 -0.04 -0.12 -0.04 2.10 1.15 2r93G1 PRO 116 HA 0.03 0.13 0.76 -0.51 4.44 4.84 2r93G1 PRO 116 HB2 0.03 -0.12 0.02 -0.04 2.28 2.16 2r93G1 PRO 116 HB3 0.02 0.13 0.09 -0.04 2.02 2.22 2r93G1 PRO 116 HG2 0.06 -0.01 -0.05 -0.04 2.03 1.99 2r93G1 PRO 116 HG3 0.04 0.05 0.03 -0.04 2.03 2.11 2r93G1 PRO 116 HD2 0.06 0.07 0.16 -0.04 3.68 3.92 2r93G1 PRO 116 HD3 0.04 0.33 0.07 -0.04 3.65 4.05 2r93G1 GLN 117 H 0.03 0.11 0.16 -0.55 8.47 8.22 2r93G1 GLN 117 HA 0.05 0.20 0.45 -0.75 4.36 4.32 2r93G1 GLN 117 HB2 0.03 -0.07 0.13 -0.04 2.15 2.20 2r93G1 GLN 117 HB3 0.04 0.02 0.03 -0.04 2.02 2.06 2r93G1 GLN 117 HG2 0.04 0.00 0.05 -0.04 2.40 2.45 2r93G1 GLN 117 HG3 0.05 0.07 0.06 -0.04 2.39 2.52 2r93G1 GLN 117 HE21 0.01 -0.00 0.04 -0.04 6.97 6.98 2r93G1 GLN 117 HE22 0.02 0.00 0.03 -0.04 7.69 7.70 2r93G1 ASP 118 H 0.03 0.05 -0.06 -0.55 8.40 7.87 2r93G1 ASP 118 HA 0.03 0.08 0.33 -0.75 4.63 4.31 2r93G1 ASP 118 HB2 0.02 -0.03 0.20 -0.04 2.71 2.85 2r93G1 ASP 118 HB3 0.02 -0.01 0.12 -0.04 2.70 2.79 2r93G1 LEU 119 H 0.06 0.49 -1.54 -0.55 8.37 6.83 2r93G1 LEU 119 HA 0.09 0.23 0.86 -0.75 4.35 4.78 2r93G1 LEU 119 HB2 0.09 -0.17 -0.17 -0.04 1.64 1.35 2r93G1 LEU 119 HB3 0.12 0.29 0.12 -0.04 1.64 2.13 2r93G1 LEU 119 HG 0.33 0.05 -0.16 -0.04 1.64 1.81 2r93G1 LEU 119 HD13 0.15 0.09 -0.27 -0.04 0.93 0.86 2r93G1 LEU 119 HD23 0.14 -0.04 -0.06 -0.04 0.89 0.90 2r93G1 THR 120 H 0.06 0.37 0.17 -0.55 8.28 8.33 2r93G1 THR 120 HA 0.03 0.26 0.96 -0.75 4.39 4.88 2r93G1 THR 120 HB -0.02 -0.11 0.19 -0.04 4.32 4.33 2r93G1 THR 120 HG23 0.02 0.01 -0.08 -0.04 1.22 1.13 2r93G1 PHE 121 H -0.04 0.18 0.19 -0.55 8.34 8.12 2r93G1 PHE 121 HA -1.00 0.23 1.01 -0.75 4.62 4.10 2r93G1 PHE 121 HB2 -0.73 0.07 -0.01 -0.04 3.15 2.43 2r93G1 PHE 121 HB3 -0.26 -0.04 0.18 -0.04 3.06 2.89 2r93G1 PHE 121 HD2 -0.38 0.05 -0.06 -0.04 7.28 6.85 2r93G1 PHE 121 HE2 0.07 0.01 -0.18 -0.04 7.38 7.24 2r93G1 PHE 121 HZ 0.04 -0.01 -0.09 -0.04 7.32 7.22 2r93G1 ASN 122 H -0.44 0.80 0.30 -0.55 8.53 8.65 2r93G1 ASN 122 HA -0.36 0.08 0.88 -0.75 4.76 4.61 2r93G1 ASN 122 HB2 -0.15 -0.05 -0.10 -0.04 2.88 2.55 2r93G1 ASN 122 HB3 -0.17 0.03 0.02 -0.04 2.79 2.64 2r93G1 ASN 122 HD21 -0.10 0.03 -0.13 -0.04 7.03 6.79 2r93G1 ASN 122 HD22 -0.16 0.01 0.01 -0.04 7.74 7.56 2r93G1 ALA 123 H -0.47 0.19 0.12 -0.55 8.40 7.69 2r93G1 ALA 123 HA -0.52 0.11 0.50 -0.75 4.34 3.68 2r93G1 ALA 123 HB3 -0.14 0.00 0.10 -0.04 1.41 1.33 2r93G1 GLY 124 H -0.14 0.06 -0.01 -0.55 8.43 7.80 2r93G1 GLY 124 HA2 -0.05 0.12 0.40 -0.51 4.01 3.97 2r93G1 GLY 124 HA3 -0.06 -0.02 0.35 -0.51 4.01 3.77 2r93G1 SER 125 H -0.10 0.58 -0.66 -0.55 8.46 7.74 2r93G1 SER 125 HA -0.04 0.15 0.80 -0.75 4.49 4.65 2r93G1 SER 125 HB2 -0.02 0.06 -0.11 -0.04 3.95 3.84 2r93G1 SER 125 HB3 -0.08 -0.10 -0.21 -0.04 3.93 3.50 2r93G1 ASN 126 H -0.01 0.21 -0.06 -0.55 8.53 8.13 2r93G1 ASN 126 HA 0.01 0.06 0.65 -0.75 4.76 4.73 2r93G1 ASN 126 HB2 -0.00 0.01 -0.27 -0.04 2.88 2.58 2r93G1 ASN 126 HB3 0.00 -0.01 0.10 -0.04 2.79 2.84 2r93G1 ASN 126 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.96 2r93G1 ASN 126 HD22 0.00 -0.02 -0.03 -0.04 7.74 7.65 2r93G1 PRO 127 HA 0.03 0.12 0.35 -0.51 4.44 4.43 2r93G1 PRO 127 HB2 0.04 0.12 0.07 -0.04 2.28 2.47 2r93G1 PRO 127 HB3 0.03 0.00 0.13 -0.04 2.02 2.13 2r93G1 PRO 127 HG2 0.03 0.00 0.03 -0.04 2.03 2.06 2r93G1 PRO 127 HG3 0.02 -0.03 0.11 -0.04 2.03 2.09 2r93G1 PRO 127 HD2 0.01 0.09 0.40 -0.04 3.68 4.15 2r93G1 PRO 127 HD3 0.01 0.08 0.14 -0.04 3.65 3.84 2r93G1 PRO 128 HA 0.03 0.09 0.40 -0.51 4.44 4.44 2r93G1 PRO 128 HB2 0.17 0.04 0.10 -0.04 2.28 2.55 2r93G1 PRO 128 HB3 0.21 0.01 0.12 -0.04 2.02 2.31 2r93G1 PRO 128 HG2 0.09 -0.01 0.16 -0.04 2.03 2.23 2r93G1 PRO 128 HG3 0.07 0.14 0.19 -0.04 2.03 2.38 2r93G1 PRO 128 HD2 0.06 0.06 0.21 -0.04 3.68 3.98 2r93G1 PRO 128 HD3 0.04 0.09 0.24 -0.04 3.65 3.98 2r93G1 SER 129 H 0.02 0.34 0.24 -0.55 8.46 8.51 2r93G1 SER 129 HA 0.29 0.16 0.67 -0.75 4.49 4.85 2r93G1 SER 129 HB2 0.12 0.03 0.00 -0.04 3.95 4.06 2r93G1 SER 129 HB3 0.08 0.08 -0.29 -0.04 3.93 3.77 2r93G1 TYR 130 H 0.30 0.67 0.29 -0.55 8.29 9.01 2r93G1 TYR 130 HA 0.13 0.07 1.03 -0.75 4.56 5.04 2r93G1 TYR 130 HB2 0.19 -0.04 0.14 -0.04 3.06 3.31 2r93G1 TYR 130 HB3 0.15 0.06 -0.02 -0.04 2.98 3.13 2r93G1 TYR 130 HD2 0.23 -0.03 -0.39 -0.04 7.15 6.92 2r93G1 TYR 130 HE2 0.11 0.08 -0.17 -0.04 6.85 6.83 2r93G1 GLN 131 H 0.03 0.12 0.04 -0.55 8.47 8.11 2r93G1 GLN 131 HA 0.07 0.20 1.02 -0.75 4.36 4.89 2r93G1 GLN 131 HB2 -0.01 -0.08 0.01 -0.04 2.15 2.03 2r93G1 GLN 131 HB3 0.01 0.15 0.00 -0.04 2.02 2.14 2r93G1 GLN 131 HG2 0.02 0.02 -0.05 -0.04 2.40 2.35 2r93G1 GLN 131 HG3 -0.01 -0.06 -0.14 -0.04 2.39 2.14 2r93G1 GLN 131 HE21 -0.01 0.00 -0.06 -0.04 6.97 6.86 2r93G1 GLN 131 HE22 -0.02 -0.04 -0.09 -0.04 7.69 7.49 2r93G1 SER 132 H 0.04 0.47 0.28 -0.55 8.46 8.70 2r93G1 SER 132 HA 0.04 0.36 0.88 -0.75 4.49 5.01 2r93G1 SER 132 HB2 0.06 0.08 -0.09 -0.04 3.95 3.96 2r93G1 SER 132 HB3 0.04 -0.18 0.18 -0.04 3.93 3.92 2r93G1 SER 133 H 0.02 0.14 0.23 -0.55 8.46 8.31 2r93G1 SER 133 HA 0.01 0.13 0.55 -0.75 4.49 4.42 2r93G1 SER 133 HB2 0.01 -0.08 0.17 -0.04 3.95 4.01 2r93G1 SER 133 HB3 0.01 0.03 0.07 -0.04 3.93 3.99 2r93G1 GLU 134 H 0.01 -0.10 0.08 -0.55 8.60 8.06 2r93G1 GLU 134 HA 0.01 0.26 0.82 -0.75 4.29 4.63 2r93G1 GLU 134 HB2 0.00 0.02 0.05 -0.04 2.09 2.13 2r93G1 GLU 134 HB3 0.00 0.04 -0.05 -0.04 1.99 1.94 2r93G1 GLU 134 HG2 0.01 -0.10 0.05 -0.04 2.34 2.25 2r93G1 GLU 134 HG3 0.01 0.02 -0.07 -0.04 2.34 2.25 2r93G1 ASP 135 H 0.02 -0.13 0.03 -0.55 8.40 7.77 2r93G1 ASP 135 HA 0.01 0.24 0.86 -0.75 4.63 5.00 2r93G1 ASP 135 HB2 0.03 -0.03 0.03 -0.04 2.71 2.71 2r93G1 ASP 135 HB3 0.02 0.05 -0.04 -0.04 2.70 2.70 2r93G1 VAL 136 H 0.02 0.24 0.07 -0.55 8.24 8.02 2r93G1 VAL 136 HA 0.05 0.23 0.79 -0.75 4.13 4.45 2r93G1 VAL 136 HB 0.02 -0.02 0.04 -0.04 2.12 2.11 2r93G1 VAL 136 HG13 0.03 -0.01 -0.23 -0.04 0.97 0.72 2r93G1 VAL 136 HG23 0.02 -0.01 -0.29 -0.04 0.95 0.63 2r93G1 ILE 137 H 0.10 0.69 0.24 -0.55 8.25 8.72 2r93G1 ILE 137 HA -0.02 0.11 0.94 -0.75 4.18 4.46 2r93G1 ILE 137 HB 0.06 -0.01 0.10 -0.04 1.89 2.00 2r93G1 ILE 137 HG12 -0.04 0.00 -0.19 -0.04 1.49 1.23 2r93G1 ILE 137 HG13 0.05 -0.07 -0.17 -0.04 1.21 0.98 2r93G1 ILE 137 HG23 -0.30 0.03 -0.12 -0.04 0.93 0.50 2r93G1 ILE 137 HD13 0.04 0.01 -0.11 -0.04 0.88 0.77 2r93G1 THR 138 H -0.02 0.09 0.05 -0.55 8.28 7.84 2r93G1 THR 138 HA 0.08 0.25 0.81 -0.75 4.39 4.78 2r93G1 THR 138 HB 0.02 -0.10 0.03 -0.04 4.32 4.23 2r93G1 THR 138 HG23 0.05 0.09 0.02 -0.04 1.22 1.35 2r93G1 ILE 139 H 0.03 0.13 0.07 -0.55 8.25 7.93 2r93G1 ILE 139 HA 0.02 0.22 0.25 -0.75 4.18 3.92 2r93G1 ILE 139 HB 0.01 -0.21 0.25 -0.04 1.89 1.90 2r93G1 ILE 139 HG12 0.04 0.13 0.08 -0.04 1.49 1.70 2r93G1 ILE 139 HG13 0.04 -0.03 0.12 -0.04 1.21 1.30 2r93G1 ILE 139 HG23 0.02 0.06 0.02 -0.04 0.93 0.99 2r93G1 ILE 139 HD13 0.02 -0.01 0.08 -0.04 0.88 0.93 2r93G1 LYS 140 H -0.00 0.05 0.09 -0.55 8.42 8.00 2r93G1 LYS 140 HA -0.01 0.15 0.32 -0.75 4.32 4.03 2r93G1 LYS 140 HB2 -0.01 -0.02 -0.02 -0.04 1.87 1.78 2r93G1 LYS 140 HB3 -0.01 0.01 0.11 -0.04 1.79 1.86 2r93G1 LYS 140 HG2 0.00 -0.08 0.16 -0.04 1.46 1.50 2r93G1 LYS 140 HG3 -0.00 0.00 0.06 -0.04 1.46 1.48 2r93G1 LYS 140 HD2 -0.00 0.00 0.05 -0.04 1.69 1.70 2r93G1 LYS 140 HD3 0.00 0.06 0.05 -0.04 1.68 1.75 2r93G1 LYS 140 HE2 0.01 -0.01 0.05 -0.04 2.99 3.00 2r93G1 LYS 140 HE3 0.00 -0.01 0.04 -0.04 2.99 2.98 2r93G1 SER 141 H -0.03 -0.06 -0.69 -0.55 8.46 7.14 2r93G1 SER 141 HA -0.04 -0.05 0.36 -0.75 4.49 4.01 2r93G1 SER 141 HB2 -0.08 0.05 -0.02 -0.04 3.95 3.87 2r93G1 SER 141 HB3 -0.04 -0.02 0.10 -0.04 3.93 3.93 2r93G1 ARG 142 H -0.04 0.05 0.24 -0.55 8.46 8.16 2r93G1 ARG 142 HA -0.05 0.15 0.80 -0.75 4.34 4.48 2r93G1 ARG 142 HB2 -0.03 -0.09 0.20 -0.04 1.90 1.94 2r93G1 ARG 142 HB3 -0.03 0.07 0.02 -0.04 1.80 1.81 2r93G1 ARG 142 HG2 -0.03 0.07 0.04 -0.04 1.67 1.71 2r93G1 ARG 142 HG3 -0.03 -0.03 0.12 -0.04 1.67 1.70 2r93G1 ARG 142 HD2 -0.02 -0.05 0.03 -0.04 3.22 3.14 2r93G1 ARG 142 HD3 -0.02 0.02 -0.02 -0.04 3.22 3.15 2r93G1 ILE 143 H -0.07 0.37 0.36 -0.55 8.25 8.36 2r93G1 ILE 143 HA -0.05 0.33 0.95 -0.75 4.18 4.66 2r93G1 ILE 143 HB -0.09 -0.08 -0.03 -0.04 1.89 1.66 2r93G1 ILE 143 HG12 -0.22 0.01 -0.26 -0.04 1.49 0.99 2r93G1 ILE 143 HG13 -0.26 0.12 -0.17 -0.04 1.21 0.86 2r93G1 ILE 143 HG23 0.01 0.00 -0.08 -0.04 0.93 0.82 2r93G1 ILE 143 HD13 -0.88 -0.02 -0.13 -0.04 0.88 -0.19 2r93G1 ARG 144 H 0.01 0.37 0.13 -0.55 8.46 8.41 2r93G1 ARG 144 HA 0.02 0.03 0.76 -0.75 4.34 4.38 2r93G1 ARG 144 HB2 0.01 0.02 -0.09 -0.04 1.90 1.80 2r93G1 ARG 144 HB3 0.02 -0.03 0.05 -0.04 1.80 1.80 2r93G1 ARG 144 HG2 0.04 -0.02 -0.14 -0.04 1.67 1.50 2r93G1 ARG 144 HG3 0.02 0.01 -0.23 -0.04 1.67 1.43 2r93G1 ARG 144 HD2 0.04 0.05 -0.01 -0.04 3.22 3.26 2r93G1 ARG 144 HD3 0.03 0.02 -0.05 -0.04 3.22 3.18 2r93G1 VAL 145 H 0.05 0.38 0.25 -0.55 8.24 8.37 2r93G1 VAL 145 HA 0.06 0.26 0.99 -0.75 4.13 4.69 2r93G1 VAL 145 HB 0.08 -0.02 -0.10 -0.04 2.12 2.04 2r93G1 VAL 145 HG13 0.06 0.04 -0.26 -0.04 0.97 0.77 2r93G1 VAL 145 HG23 0.14 -0.01 -0.24 -0.04 0.95 0.80 2r93G1 LYS 146 H 0.04 0.49 0.25 -0.55 8.42 8.65 2r93G1 LYS 146 HA 0.05 0.27 0.99 -0.75 4.32 4.87 2r93G1 LYS 146 HB2 0.04 0.05 0.02 -0.04 1.87 1.94 2r93G1 LYS 146 HB3 0.03 0.01 0.25 -0.04 1.79 2.04 2r93G1 LYS 146 HG2 0.03 -0.12 -0.34 -0.04 1.46 1.00 2r93G1 LYS 146 HG3 0.04 0.12 -0.13 -0.04 1.46 1.44 2r93G1 LYS 146 HD2 0.03 0.03 -0.06 -0.04 1.69 1.66 2r93G1 LYS 146 HD3 0.03 -0.08 -0.02 -0.04 1.68 1.56 2r93G1 LYS 146 HE2 0.03 -0.04 -0.05 -0.04 2.99 2.89 2r93G1 LYS 146 HE3 0.03 0.04 -0.08 -0.04 2.99 2.95 2r93G1 ILE 147 H 0.07 0.59 0.23 -0.55 8.25 8.58 2r93G1 ILE 147 HA 0.05 0.01 0.45 -0.75 4.18 3.94 2r93G1 ILE 147 HB 0.10 0.09 0.26 -0.04 1.89 2.30 2r93G1 ILE 147 HG12 0.09 -0.03 -0.17 -0.04 1.49 1.34 2r93G1 ILE 147 HG13 0.09 0.01 -0.07 -0.04 1.21 1.20 2r93G1 ILE 147 HG23 0.07 -0.05 -0.33 -0.04 0.93 0.59 2r93G1 ILE 147 HD13 0.14 -0.01 -0.11 -0.04 0.88 0.86 2r93G1 GLU 148 H 0.02 0.41 0.71 -0.55 8.60 9.20 2r93G1 GLU 148 HA 0.03 -0.00 0.59 -0.75 4.29 4.15 2r93G1 GLU 148 HB2 -0.00 0.12 0.17 -0.04 2.09 2.33 2r93G1 GLU 148 HB3 0.01 -0.02 0.04 -0.04 1.99 1.97 2r93G1 GLU 148 HG2 0.00 -0.04 0.20 -0.04 2.34 2.47 2r93G1 GLU 148 HG3 -0.01 -0.01 0.02 -0.04 2.34 2.29 2r93G1 GLY 149 H 0.03 0.41 0.26 -0.55 8.43 8.59 2r93G1 GLY 149 HA2 0.03 0.13 0.71 -0.51 4.01 4.37 2r93G1 GLY 149 HA3 0.02 0.03 0.31 -0.51 4.01 3.86 2r93G1 CYS 150 H 0.01 0.21 0.16 -0.55 8.50 8.33 2r93G1 CYS 150 HA 0.03 0.27 1.10 -0.75 4.58 5.22 2r93G1 CYS 150 HB2 -0.04 -0.02 -0.04 -0.04 2.97 2.83 2r93G1 CYS 150 HB3 -0.04 0.04 -0.12 -0.04 2.97 2.81 2r93G1 ILE 151 H 0.04 0.80 0.22 -0.55 8.25 8.76 2r93G1 ILE 151 HA 0.01 0.12 0.90 -0.75 4.18 4.46 2r93G1 ILE 151 HB 0.08 -0.05 0.10 -0.04 1.89 1.98 2r93G1 ILE 151 HG12 0.03 0.06 -0.19 -0.04 1.49 1.35 2r93G1 ILE 151 HG13 0.04 -0.17 -0.78 -0.04 1.21 0.26 2r93G1 ILE 151 HG23 0.03 0.03 -0.04 -0.04 0.93 0.92 2r93G1 ILE 151 HD13 0.06 -0.01 -0.14 -0.04 0.88 0.74 2r93G1 SER 152 H -0.01 0.11 0.10 -0.55 8.46 8.11 2r93G1 SER 152 HA 0.00 0.11 0.63 -0.75 4.49 4.47 2r93G1 SER 152 HB2 -0.02 0.01 -0.01 -0.04 3.95 3.88 2r93G1 SER 152 HB3 -0.04 0.03 0.07 -0.04 3.93 3.94 2r93G1 GLN 153 H 0.00 0.46 0.22 -0.55 8.47 8.60 2r93G1 GLN 153 HA 0.01 -0.02 0.47 -0.75 4.36 4.07 2r93G1 GLN 153 HB2 0.04 0.10 0.08 -0.04 2.15 2.33 2r93G1 GLN 153 HB3 0.08 0.02 -0.34 -0.04 2.02 1.74 2r93G1 GLN 153 HG2 0.04 -0.01 -0.57 -0.04 2.40 1.82 2r93G1 GLN 153 HG3 0.03 -0.04 -0.03 -0.04 2.39 2.30 2r93G1 GLN 153 HE21 0.03 -0.01 -0.07 -0.04 6.97 6.88 2r93G1 GLN 153 HE22 0.03 -0.01 -0.05 -0.04 7.69 7.61 2r93G1 VAL 154 H 0.00 0.10 0.13 -0.55 8.24 7.92 2r93G1 VAL 154 HA -0.01 0.02 0.39 -0.75 4.13 3.78 2r93G1 VAL 154 HB 0.01 0.06 0.02 -0.04 2.12 2.17 2r93G1 VAL 154 HG13 -0.01 0.04 0.04 -0.04 0.97 1.00 2r93G1 VAL 154 HG23 0.02 -0.01 -0.05 -0.04 0.95 0.87 2r93G1 SER 155 H -0.03 0.10 0.17 -0.55 8.46 8.15 2r93G1 SER 155 HA -0.11 0.24 0.80 -0.75 4.49 4.67 2r93G1 SER 155 HB2 -0.11 0.11 0.20 -0.04 3.95 4.12 2r93G1 SER 155 HB3 -0.06 -0.02 0.01 -0.04 3.93 3.82 2r93G1 SER 156 H -0.07 0.67 0.12 -0.55 8.46 8.64 2r93G1 SER 156 HA -0.18 0.11 0.46 -0.75 4.49 4.13 2r93G1 SER 156 HB2 -0.09 -0.02 0.03 -0.04 3.95 3.84 2r93G1 SER 156 HB3 -0.01 0.14 -0.03 -0.04 3.93 3.99 2r93G1 ILE 157 H 0.18 0.26 0.10 -0.55 8.25 8.23 2r93G1 ILE 157 HA -0.00 0.19 0.99 -0.75 4.18 4.61 2r93G1 ILE 157 HB 0.04 -0.01 0.07 -0.04 1.89 1.94 2r93G1 ILE 157 HG12 0.02 -0.03 -0.18 -0.04 1.49 1.25 2r93G1 ILE 157 HG13 0.20 -0.08 -0.54 -0.04 1.21 0.76 2r93G1 ILE 157 HG23 -0.05 0.01 -0.25 -0.04 0.93 0.60 2r93G1 ILE 157 HD13 0.03 0.04 -0.06 -0.04 0.88 0.84 2r93G1 HIS 158 H 0.09 0.46 0.21 -0.55 8.41 8.62 2r93G1 HIS 158 HA 0.07 0.24 0.99 -0.75 4.63 5.18 2r93G1 HIS 158 HB2 0.05 0.00 0.07 -0.04 3.26 3.34 2r93G1 HIS 158 HB3 0.07 -0.00 0.14 -0.04 3.20 3.37 2r93G1 HIS 158 HD2 0.04 0.03 -0.13 -0.04 6.97 6.87 2r93G1 HIS 158 HE1 0.05 0.02 -0.05 -0.04 7.75 7.72 2r93G1 ALA 159 H 0.19 0.40 0.33 -0.55 8.40 8.78 2r93G1 ALA 159 HA 0.08 0.10 0.70 -0.75 4.34 4.46 2r93G1 ALA 159 HB3 0.06 0.02 -0.09 -0.04 1.41 1.35 2r93G1 ILE 160 H 0.05 0.36 0.33 -0.55 8.25 8.43 2r93G1 ILE 160 HA 0.00 0.38 1.11 -0.75 4.18 4.92 2r93G1 ILE 160 HB -0.01 -0.07 0.15 -0.04 1.89 1.91 2r93G1 ILE 160 HG12 0.09 0.05 -0.11 -0.04 1.49 1.48 2r93G1 ILE 160 HG13 0.06 -0.06 -0.08 -0.04 1.21 1.09 2r93G1 ILE 160 HG23 -0.18 0.03 0.07 -0.04 0.93 0.82 2r93G1 ILE 160 HD13 0.03 0.00 -0.04 -0.04 0.88 0.83 2r93G1 GLY 161 H -0.07 0.56 0.33 -0.55 8.43 8.71 2r93G1 GLY 161 HA2 0.00 -0.09 1.17 -0.51 4.01 4.58 2r93G1 GLY 161 HA3 0.02 0.03 0.23 -0.51 4.01 3.77 2r93G1 SER 162 H 0.00 0.41 0.40 -0.55 8.46 8.72 2r93G1 SER 162 HA -0.06 0.26 1.10 -0.75 4.49 5.04 2r93G1 SER 162 HB2 -0.02 0.13 0.29 -0.04 3.95 4.31 2r93G1 SER 162 HB3 -0.03 -0.02 0.10 -0.04 3.93 3.94 2r93G1 ILE 163 H -0.01 0.58 0.26 -0.55 8.25 8.53 2r93G1 ILE 163 HA 0.04 0.14 0.71 -0.75 4.18 4.31 2r93G1 ILE 163 HB 0.07 0.07 0.04 -0.04 1.89 2.04 2r93G1 ILE 163 HG12 0.01 -0.02 -0.05 -0.04 1.49 1.39 2r93G1 ILE 163 HG13 0.04 -0.01 -0.01 -0.04 1.21 1.20 2r93G1 ILE 163 HG23 0.11 0.02 -0.22 -0.04 0.93 0.80 2r93G1 ILE 163 HD13 0.22 -0.00 -0.09 -0.04 0.88 0.97 2r93G1 LYS 164 H 0.01 0.03 0.07 -0.55 8.42 7.98 2r93G1 LYS 164 HA 0.01 0.18 0.70 -0.75 4.32 4.45 2r93G1 LYS 164 HB2 0.00 0.12 -0.09 -0.04 1.87 1.86 2r93G1 LYS 164 HB3 0.01 -0.06 -0.03 -0.04 1.79 1.67 2r93G1 LYS 164 HG2 0.01 -0.05 0.05 -0.04 1.46 1.43 2r93G1 LYS 164 HG3 0.01 0.03 -0.15 -0.04 1.46 1.31 2r93G1 LYS 164 HD2 0.01 -0.06 -0.01 -0.04 1.69 1.60 2r93G1 LYS 164 HD3 0.01 0.10 -0.09 -0.04 1.68 1.66 2r93G1 LYS 164 HE2 0.00 -0.02 -0.04 -0.04 2.99 2.89 2r93G1 LYS 164 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.89 2r93G1 GLU 165 H 0.02 -0.05 -0.13 -0.55 8.60 7.89 2r93G1 GLU 165 HA 0.02 0.07 0.45 -0.75 4.29 4.07 2r93G1 GLU 165 HB2 0.06 0.24 -0.01 -0.04 2.09 2.34 2r93G1 GLU 165 HB3 0.05 -0.08 0.14 -0.04 1.99 2.06 2r93G1 GLU 165 HG2 0.03 -0.13 0.00 -0.04 2.34 2.20 2r93G1 GLU 165 HG3 0.04 0.06 -0.02 -0.04 2.34 2.38 2r93G1 ASP 166 H 0.06 0.05 0.09 -0.55 8.40 8.04 2r93G1 ASP 166 HA -0.11 0.19 0.61 -0.75 4.63 4.57 2r93G1 ASP 166 HB2 0.06 -0.00 0.06 -0.04 2.71 2.79 2r93G1 ASP 166 HB3 -0.66 -0.06 0.12 -0.04 2.70 2.05 2r93G1 TYR 167 H -0.52 0.11 0.08 -0.55 8.29 7.41 2r93G1 TYR 167 HA 0.00 0.01 0.25 -0.75 4.56 4.07 2r93G1 TYR 167 HB2 0.00 0.10 -0.13 -0.04 3.06 2.99 2r93G1 TYR 167 HB3 0.00 0.01 0.12 -0.04 2.98 3.07 2r93G1 TYR 167 HD2 0.00 0.02 -0.16 -0.04 7.15 6.97 2r93G1 TYR 167 HE2 0.00 0.00 -0.02 -0.04 6.85 6.79 2r93G1 LEU 168 H 0.03 0.12 -0.83 -0.55 8.37 7.14 2r93G1 LEU 168 HA 0.06 0.19 0.88 -0.75 4.35 4.73 2r93G1 LEU 168 HB2 0.04 -0.01 -0.16 -0.04 1.64 1.47 2r93G1 LEU 168 HB3 0.05 -0.01 0.07 -0.04 1.64 1.71 2r93G1 LEU 168 HG 0.08 0.11 -0.25 -0.04 1.64 1.54 2r93G1 LEU 168 HD13 0.04 -0.03 -0.01 -0.04 0.93 0.90 2r93G1 LEU 168 HD23 0.05 0.04 -0.10 -0.04 0.89 0.84 2r93G1 GLY 169 H 0.03 0.30 0.13 -0.55 8.43 8.35 2r93G1 GLY 169 HA2 0.04 0.01 0.30 -0.51 4.01 3.85 2r93G1 GLY 169 HA3 0.02 0.03 0.59 -0.51 4.01 4.14 2r93G1 ALA 170 H 0.00 0.06 0.07 -0.55 8.40 7.98 2r93G1 ALA 170 HA -0.03 0.32 0.73 -0.75 4.34 4.61 2r93G1 ALA 170 HB3 -0.01 -0.02 0.06 -0.04 1.41 1.40 2r93G1 ILE 171 H -0.01 0.29 0.08 -0.55 8.25 8.05 2r93G1 ILE 171 HA 0.00 0.17 0.42 -0.75 4.18 4.02 2r93G1 ILE 171 HB -0.01 -0.02 -0.00 -0.04 1.89 1.82 2r93G1 ILE 171 HG12 -0.01 -0.00 -0.50 -0.04 1.49 0.94 2r93G1 ILE 171 HG13 -0.02 -0.02 -0.05 -0.04 1.21 1.08 2r93G1 ILE 171 HG23 0.01 0.05 -0.12 -0.04 0.93 0.82 2r93G1 ILE 171 HD13 -0.01 0.01 -0.25 -0.04 0.88 0.59