============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 3 1.000 57.890 -22.225 29.626 -99.200 -91.000 TYR 9 0.840 61.570 -24.051 43.461 -99.200 -91.000 TRP 11 1.040 61.277 -28.078 38.264 -99.200 -91.000 TRP6 11 1.020 59.154 -27.950 39.298 -99.200 -91.000 TYR 22 0.840 65.367 -38.880 31.500 -99.200 -91.000 HIS 44 0.900 72.291 -41.693 38.730 -99.200 -91.000 PHE 51 1.000 74.971 -38.887 38.027 -99.200 -91.000 HIS 52 0.900 75.517 -41.626 30.357 -99.200 -91.000 PHE 69 1.000 66.599 -27.186 27.571 -99.200 -91.000 PHE 81 1.000 57.811 -26.174 29.347 -99.200 -91.000 PHE 92 1.000 60.753 -41.096 29.465 -99.200 -91.000 HIS 100 0.900 67.050 -39.202 26.476 -99.200 -91.000 TYR 101 0.840 60.628 -36.757 21.446 -99.200 -91.000 PHE 102 1.000 62.148 -35.678 29.860 -99.200 -91.000 TRP 104 1.040 56.392 -28.958 34.183 -99.200 -91.000 TRP6 104 1.020 58.661 -28.460 34.670 -99.200 -91.000 PHE 115 1.000 43.956 -20.877 34.447 -99.200 -91.000 TYR 124 0.840 57.962 -33.845 41.408 -99.200 -91.000 PHE 126 1.000 59.838 -39.249 40.211 -99.200 -91.000 HIS 133 0.900 55.929 -41.645 47.583 -99.200 -91.000 TYR 145 0.840 43.100 -28.497 51.562 -99.200 -91.000 PHE 157 1.000 40.791 -20.456 57.632 -99.200 -91.000 PHE 192 1.000 47.355 -12.028 64.002 -99.200 -91.000 TYR 213 0.840 53.539 -23.861 53.578 -99.200 -91.000 PHE 216 1.000 49.648 -15.230 67.697 -99.200 -91.000 HIS 220 0.900 59.937 -17.306 70.595 -99.200 -91.000 PHE 228 1.000 51.338 -32.671 52.998 -99.200 -91.000 PHE 250 1.000 50.808 -21.855 64.603 -99.200 -91.000 TRP 254 1.040 45.917 -33.868 54.884 -99.200 -91.000 TRP6 254 1.020 45.682 -31.803 53.752 -99.200 -91.000 TYR 258 0.840 44.905 -37.251 46.459 -99.200 -91.000 HIS 261 0.900 52.929 -47.023 45.276 -99.200 -91.000 TYR 264 0.840 47.589 -47.788 47.547 -99.200 -91.000 HIS 277 0.900 44.980 -49.461 41.012 -99.200 -91.000 PHE 292 1.000 24.052 -40.036 22.799 -99.200 -91.000 TYR 293 0.840 25.484 -43.187 30.763 -99.200 -91.000 TYR 300 0.840 27.875 -23.784 26.952 -99.200 -91.000 TYR 302 0.840 28.565 -29.649 29.940 -99.200 -91.000 TYR 303 0.840 24.802 -34.174 23.631 -99.200 -91.000 TYR 346 0.840 38.802 -45.484 46.633 -99.200 -91.000 TYR 355 0.840 36.967 -40.062 29.974 -99.200 -91.000 PHE 356 1.000 44.466 -36.318 30.747 -99.200 -91.000 PHE 365 1.000 42.828 -26.593 32.534 -99.200 -91.000 PHE 373 1.000 31.920 -42.625 37.906 -99.200 -91.000 PHE 389 1.000 27.988 -28.661 34.120 -99.200 -91.000 TYR 397 0.840 33.667 -27.785 30.675 -99.200 -91.000 PHE 398 1.000 35.240 -29.597 38.921 -99.200 -91.000 PHE 399 1.000 30.033 -33.620 33.402 -99.200 -91.000 TRP 401 1.040 27.301 -42.090 36.581 -99.200 -91.000 TRP6 401 1.020 28.259 -42.095 34.410 -99.200 -91.000 TYR 405 0.840 28.065 -51.344 37.195 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1syoB1 ALA 1007 HA -0.09 -0.14 0.17 -0.75 4.34 3.53 1syoB1 ALA 1007 HB3 -0.04 -0.01 -0.01 -0.04 1.41 1.31 1syoB1 GLU 1008 H -0.23 0.03 0.01 -0.55 8.60 7.86 1syoB1 GLU 1008 HA -0.65 -0.05 0.32 -0.75 4.29 3.16 1syoB1 GLU 1008 HB2 -0.03 0.25 -0.03 -0.04 2.09 2.24 1syoB1 GLU 1008 HB3 -0.05 -0.01 0.01 -0.04 1.99 1.90 1syoB1 GLU 1008 HG2 -0.17 -0.03 -0.08 -0.04 2.34 2.02 1syoB1 GLU 1008 HG3 -0.12 -0.09 -0.19 -0.04 2.34 1.89 1syoB1 PHE 1009 H -0.76 0.08 0.03 -0.55 8.34 7.13 1syoB1 PHE 1009 HA -0.15 0.05 0.32 -0.75 4.62 4.08 1syoB1 PHE 1009 HB2 -0.29 0.06 0.06 -0.04 3.15 2.94 1syoB1 PHE 1009 HB3 -0.35 -0.08 0.00 -0.04 3.06 2.59 1syoB1 PHE 1009 HD2 -0.38 0.16 -0.35 -0.04 7.28 6.67 1syoB1 PHE 1009 HE2 -0.46 0.03 -0.07 -0.04 7.38 6.84 1syoB1 PHE 1009 HZ -0.55 0.13 -0.07 -0.04 7.32 6.78 1syoB1 PRO 1010 HA 0.06 0.18 0.39 -0.51 4.44 4.57 1syoB1 PRO 1010 HB2 0.04 -0.01 -0.04 -0.04 2.28 2.23 1syoB1 PRO 1010 HB3 0.01 0.23 -0.00 -0.04 2.02 2.21 1syoB1 PRO 1010 HG2 0.02 -0.05 0.01 -0.04 2.03 1.97 1syoB1 PRO 1010 HG3 -0.02 0.07 -0.02 -0.04 2.03 2.02 1syoB1 PRO 1010 HD2 -0.07 0.02 0.06 -0.04 3.68 3.65 1syoB1 PRO 1010 HD3 -0.08 0.14 -0.37 -0.04 3.65 3.29 1syoB1 GLU 1011 H 0.07 0.09 -0.32 -0.55 8.60 7.89 1syoB1 GLU 1011 HA 0.17 0.16 0.48 -0.75 4.29 4.34 1syoB1 GLU 1011 HB2 0.16 0.04 0.12 -0.04 2.09 2.37 1syoB1 GLU 1011 HB3 0.11 0.05 0.04 -0.04 1.99 2.15 1syoB1 GLU 1011 HG2 0.06 0.00 -0.17 -0.04 2.34 2.19 1syoB1 GLU 1011 HG3 0.08 -0.02 -0.08 -0.04 2.34 2.27 1syoB1 LEU 1012 H 0.15 0.44 -0.49 -0.55 8.37 7.92 1syoB1 LEU 1012 HA 0.61 0.19 0.85 -0.75 4.35 5.24 1syoB1 LEU 1012 HB2 -0.07 0.19 0.01 -0.04 1.64 1.73 1syoB1 LEU 1012 HB3 -0.24 -0.05 0.06 -0.04 1.64 1.37 1syoB1 LEU 1012 HG -0.25 -0.07 -0.16 -0.04 1.64 1.12 1syoB1 LEU 1012 HD13 -1.69 -0.01 -0.12 -0.04 0.93 -0.93 1syoB1 LEU 1012 HD23 -0.31 0.02 -0.19 -0.04 0.89 0.37 1syoB1 CYS 1013 H 0.22 0.34 -0.08 -0.55 8.50 8.43 1syoB1 CYS 1013 HA 0.29 0.05 0.63 -0.75 4.58 4.80 1syoB1 CYS 1013 HB2 0.12 0.19 0.16 -0.04 2.97 3.40 1syoB1 CYS 1013 HB3 0.10 -0.01 0.03 -0.04 2.97 3.05 1syoB1 SER 1014 H 0.22 0.14 -0.27 -0.55 8.46 8.00 1syoB1 SER 1014 HA -0.13 0.11 0.49 -0.75 4.49 4.21 1syoB1 SER 1014 HB2 -1.10 0.03 -0.01 -0.04 3.95 2.83 1syoB1 SER 1014 HB3 -0.30 -0.01 0.12 -0.04 3.93 3.70 1syoB1 TYR 1015 H 0.30 0.22 -0.55 -0.55 8.29 7.71 1syoB1 TYR 1015 HA -0.07 0.17 0.83 -0.75 4.56 4.74 1syoB1 TYR 1015 HB2 -0.74 0.01 -0.11 -0.04 3.06 2.18 1syoB1 TYR 1015 HB3 -0.42 -0.03 0.10 -0.04 2.98 2.59 1syoB1 TYR 1015 HD2 0.03 -0.04 -0.06 -0.04 7.15 7.03 1syoB1 TYR 1015 HE2 0.06 0.06 0.04 -0.04 6.85 6.97 1syoB1 THR 1016 H -0.04 0.18 0.17 -0.55 8.28 8.05 1syoB1 THR 1016 HA 0.19 0.21 0.95 -0.75 4.39 4.99 1syoB1 THR 1016 HB 0.01 -0.02 0.17 -0.04 4.32 4.44 1syoB1 THR 1016 HG23 0.08 -0.01 -0.19 -0.04 1.22 1.06 1syoB1 TRP 1017 H 0.54 0.73 0.35 -0.55 7.97 9.04 1syoB1 TRP 1017 HA 0.16 0.12 0.86 -0.75 4.62 5.01 1syoB1 TRP 1017 HB2 0.00 -0.02 0.10 -0.04 3.23 3.28 1syoB1 TRP 1017 HB3 -0.06 0.00 0.11 -0.04 3.23 3.25 1syoB1 TRP 1017 HD1 0.36 0.14 0.12 -0.04 7.22 7.79 1syoB1 TRP 1017 HE1 0.42 0.57 0.16 -0.04 10.20 11.32 1syoB1 TRP 1017 HE3 0.18 -0.04 0.09 -0.04 7.59 7.79 1syoB1 TRP 1017 HZ2 0.25 0.07 0.03 -0.04 7.44 7.74 1syoB1 TRP 1017 HZ3 0.20 0.09 0.08 -0.04 7.13 7.46 1syoB1 TRP 1017 HH2 0.16 -0.04 -0.16 -0.04 7.19 7.11 1syoB1 GLU 1018 H 0.48 0.17 0.24 -0.55 8.60 8.95 1syoB1 GLU 1018 HA 0.19 0.41 1.18 -0.75 4.29 5.32 1syoB1 GLU 1018 HB2 0.40 -0.10 0.05 -0.04 2.09 2.41 1syoB1 GLU 1018 HB3 0.14 0.02 0.06 -0.04 1.99 2.17 1syoB1 GLU 1018 HG2 0.12 0.07 -0.12 -0.04 2.34 2.36 1syoB1 GLU 1018 HG3 0.11 -0.01 -0.19 -0.04 2.34 2.21 1syoB1 ALA 1019 H 0.17 0.53 0.33 -0.55 8.40 8.88 1syoB1 ALA 1019 HA 0.31 0.15 0.77 -0.75 4.34 4.81 1syoB1 ALA 1019 HB3 0.26 0.01 -0.10 -0.04 1.41 1.54 1syoB1 VAL 1020 H 0.07 0.21 0.24 -0.55 8.24 8.20 1syoB1 VAL 1020 HA -0.07 0.27 1.24 -0.75 4.13 4.81 1syoB1 VAL 1020 HB -0.25 0.04 0.02 -0.04 2.12 1.89 1syoB1 VAL 1020 HG13 -1.03 -0.01 -0.16 -0.04 0.97 -0.26 1syoB1 VAL 1020 HG23 -0.05 0.01 0.01 -0.04 0.95 0.89 1syoB1 ASP 1021 H -0.21 0.76 0.15 -0.55 8.40 8.55 1syoB1 ASP 1021 HA -0.35 0.18 0.76 -0.75 4.63 4.46 1syoB1 ASP 1021 HB2 -1.26 0.09 -0.04 -0.04 2.71 1.46 1syoB1 ASP 1021 HB3 -0.33 -0.02 0.19 -0.04 2.70 2.50 1syoB1 THR 1022 H -0.04 0.27 -0.06 -0.55 8.28 7.90 1syoB1 THR 1022 HA -0.08 0.09 0.41 -0.75 4.39 4.06 1syoB1 THR 1022 HB -0.02 0.08 0.07 -0.04 4.32 4.41 1syoB1 THR 1022 HG23 0.02 0.03 0.09 -0.04 1.22 1.32 1syoB1 LYS 1023 H -0.01 0.06 -0.19 -0.55 8.42 7.72 1syoB1 LYS 1023 HA -0.02 0.10 0.38 -0.75 4.32 4.03 1syoB1 LYS 1023 HB2 0.01 -0.04 0.07 -0.04 1.87 1.87 1syoB1 LYS 1023 HB3 0.00 0.05 0.03 -0.04 1.79 1.84 1syoB1 LYS 1023 HG2 0.02 0.03 0.05 -0.04 1.46 1.52 1syoB1 LYS 1023 HG3 0.04 -0.08 0.09 -0.04 1.46 1.47 1syoB1 LYS 1023 HD2 0.07 0.01 0.04 -0.04 1.69 1.78 1syoB1 LYS 1023 HD3 0.03 0.02 0.03 -0.04 1.68 1.72 1syoB1 LYS 1023 HE2 0.03 -0.01 0.04 -0.04 2.99 3.01 1syoB1 LYS 1023 HE3 0.06 0.01 0.06 -0.04 2.99 3.07 1syoB1 ASN 1024 H -0.07 0.09 -0.19 -0.55 8.53 7.81 1syoB1 ASN 1024 HA -0.05 0.22 0.74 -0.75 4.76 4.91 1syoB1 ASN 1024 HB2 -0.09 -0.03 0.05 -0.04 2.88 2.77 1syoB1 ASN 1024 HB3 -0.07 0.00 0.11 -0.04 2.79 2.79 1syoB1 ASN 1024 HD21 0.01 0.02 -0.01 -0.04 7.03 7.01 1syoB1 ASN 1024 HD22 -0.00 0.02 -0.00 -0.04 7.74 7.71 1syoB1 ASN 1025 H -0.10 0.27 -0.37 -0.55 8.53 7.79 1syoB1 ASN 1025 HA -0.13 0.05 0.28 -0.75 4.76 4.21 1syoB1 ASN 1025 HB2 -0.09 0.04 -0.39 -0.04 2.88 2.39 1syoB1 ASN 1025 HB3 -0.13 -0.13 0.26 -0.04 2.79 2.75 1syoB1 ASN 1025 HD21 -0.10 0.03 -0.03 -0.04 7.03 6.89 1syoB1 ASN 1025 HD22 -0.13 -0.10 -0.09 -0.04 7.74 7.37 1syoB1 MET 1026 H -0.20 0.36 -0.01 -0.55 8.47 8.07 1syoB1 MET 1026 HA -0.28 0.19 0.90 -0.75 4.52 4.59 1syoB1 MET 1026 HB2 -0.33 -0.10 0.02 -0.04 2.15 1.70 1syoB1 MET 1026 HB3 -0.51 0.02 -0.15 -0.04 2.03 1.35 1syoB1 MET 1026 HG2 -0.16 -0.00 -0.35 -0.04 2.63 2.07 1syoB1 MET 1026 HG3 -0.14 0.01 -0.11 -0.04 2.56 2.28 1syoB1 MET 1026 HE3 -0.10 0.03 -0.02 -0.04 2.10 1.97 1syoB1 LEU 1027 H -0.29 0.54 0.25 -0.55 8.37 8.33 1syoB1 LEU 1027 HA -0.18 0.17 1.10 -0.75 4.35 4.68 1syoB1 LEU 1027 HB2 -0.19 -0.00 -0.05 -0.04 1.64 1.35 1syoB1 LEU 1027 HB3 -0.13 -0.00 0.14 -0.04 1.64 1.61 1syoB1 LEU 1027 HG -0.14 0.07 0.00 -0.04 1.64 1.53 1syoB1 LEU 1027 HD13 -0.10 -0.01 -0.08 -0.04 0.93 0.71 1syoB1 LEU 1027 HD23 0.06 -0.01 -0.39 -0.04 0.89 0.50 1syoB1 TYR 1028 H 0.17 0.92 0.39 -0.55 8.29 9.21 1syoB1 TYR 1028 HA 0.05 0.25 1.07 -0.75 4.56 5.18 1syoB1 TYR 1028 HB2 0.11 -0.06 0.03 -0.04 3.06 3.10 1syoB1 TYR 1028 HB3 0.02 0.05 -0.16 -0.04 2.98 2.84 1syoB1 TYR 1028 HD2 0.07 0.06 -0.31 -0.04 7.15 6.93 1syoB1 TYR 1028 HE2 -0.28 -0.01 -0.21 -0.04 6.85 6.31 1syoB1 LYS 1029 H 0.15 0.76 0.38 -0.55 8.42 9.15 1syoB1 LYS 1029 HA 0.12 0.23 0.84 -0.75 4.32 4.76 1syoB1 LYS 1029 HB2 0.11 0.02 0.09 -0.04 1.87 2.05 1syoB1 LYS 1029 HB3 0.07 -0.11 -0.02 -0.04 1.79 1.68 1syoB1 LYS 1029 HG2 0.05 -0.04 -0.11 -0.04 1.46 1.32 1syoB1 LYS 1029 HG3 0.08 0.07 -0.07 -0.04 1.46 1.50 1syoB1 LYS 1029 HD2 0.10 0.08 -0.15 -0.04 1.69 1.67 1syoB1 LYS 1029 HD3 0.13 -0.04 -0.17 -0.04 1.68 1.55 1syoB1 LYS 1029 HE2 0.06 -0.03 -0.09 -0.04 2.99 2.89 1syoB1 LYS 1029 HE3 0.05 0.05 -0.08 -0.04 2.99 2.97 1syoB1 ILE 1030 H 0.16 1.08 0.33 -0.55 8.25 9.27 1syoB1 ILE 1030 HA 0.00 0.32 1.25 -0.75 4.18 5.01 1syoB1 ILE 1030 HB 0.08 -0.00 -0.01 -0.04 1.89 1.91 1syoB1 ILE 1030 HG12 -0.27 0.03 -0.14 -0.04 1.49 1.08 1syoB1 ILE 1030 HG13 -0.14 -0.09 -0.59 -0.04 1.21 0.35 1syoB1 ILE 1030 HG23 0.12 -0.01 -0.25 -0.04 0.93 0.75 1syoB1 ILE 1030 HD13 -0.72 -0.01 -0.25 -0.04 0.88 -0.13 1syoB1 ASN 1031 H 0.01 0.70 0.19 -0.55 8.53 8.89 1syoB1 ASN 1031 HA 0.30 0.31 1.03 -0.75 4.76 5.64 1syoB1 ASN 1031 HB2 0.10 0.05 -0.09 -0.04 2.88 2.90 1syoB1 ASN 1031 HB3 0.05 -0.03 0.18 -0.04 2.79 2.95 1syoB1 ASN 1031 HD21 0.12 0.20 -0.07 -0.04 7.03 7.24 1syoB1 ASN 1031 HD22 0.21 0.35 0.08 -0.04 7.74 8.33 1syoB1 ILE 1032 H 0.30 0.31 0.04 -0.55 8.25 8.35 1syoB1 ILE 1032 HA 0.23 0.03 0.32 -0.75 4.18 4.00 1syoB1 ILE 1032 HB 0.23 0.04 -0.05 -0.04 1.89 2.07 1syoB1 ILE 1032 HG12 0.31 0.01 -0.04 -0.04 1.49 1.74 1syoB1 ILE 1032 HG13 0.09 0.02 -0.07 -0.04 1.21 1.22 1syoB1 ILE 1032 HG23 0.24 0.03 -0.05 -0.04 0.93 1.11 1syoB1 ILE 1032 HD13 0.40 -0.02 -0.12 -0.04 0.88 1.10 1syoB1 CYS 1033 H 0.15 -0.04 -0.68 -0.55 8.50 7.38 1syoB1 CYS 1033 HA 0.12 0.27 0.89 -0.75 4.58 5.11 1syoB1 CYS 1033 HB2 0.11 0.03 0.03 -0.04 2.97 3.10 1syoB1 CYS 1033 HB3 0.07 0.00 0.10 -0.04 2.97 3.10 1syoB1 GLY 1034 H 0.04 0.55 -0.08 -0.55 8.43 8.40 1syoB1 GLY 1034 HA2 -0.00 0.20 0.29 -0.51 4.01 3.99 1syoB1 GLY 1034 HA3 0.02 -0.03 0.24 -0.51 4.01 3.73 1syoB1 ASN 1035 H 0.04 0.04 -0.23 -0.55 8.53 7.83 1syoB1 ASN 1035 HA 0.01 0.13 0.66 -0.75 4.76 4.80 1syoB1 ASN 1035 HB2 0.03 0.02 -0.05 -0.04 2.88 2.83 1syoB1 ASN 1035 HB3 0.01 -0.04 0.14 -0.04 2.79 2.85 1syoB1 ASN 1035 HD21 0.03 -0.05 -0.04 -0.04 7.03 6.92 1syoB1 ASN 1035 HD22 0.04 -0.04 -0.12 -0.04 7.74 7.58 1syoB1 MET 1036 H 0.00 0.17 -0.04 -0.55 8.47 8.06 1syoB1 MET 1036 HA 0.01 0.22 0.59 -0.75 4.52 4.59 1syoB1 MET 1036 HB2 0.01 0.03 -0.11 -0.04 2.15 2.03 1syoB1 MET 1036 HB3 0.03 -0.00 -0.09 -0.04 2.03 1.93 1syoB1 MET 1036 HG2 -0.01 0.06 -0.03 -0.04 2.63 2.61 1syoB1 MET 1036 HG3 -0.04 -0.10 -0.27 -0.04 2.56 2.12 1syoB1 MET 1036 HE3 0.00 0.04 -0.34 -0.04 2.10 1.76 1syoB1 GLY 1037 H -0.03 0.04 -0.11 -0.55 8.43 7.78 1syoB1 GLY 1037 HA2 -0.04 -0.01 0.22 -0.51 4.01 3.67 1syoB1 GLY 1037 HA3 -0.04 0.18 0.43 -0.51 4.01 4.07 1syoB1 VAL 1038 H -0.08 0.17 -0.13 -0.55 8.24 7.65 1syoB1 VAL 1038 HA -0.20 0.24 0.78 -0.75 4.13 4.20 1syoB1 VAL 1038 HB -0.16 0.18 -0.22 -0.04 2.12 1.89 1syoB1 VAL 1038 HG13 -0.09 -0.04 -0.03 -0.04 0.97 0.77 1syoB1 VAL 1038 HG23 -0.52 -0.06 -0.11 -0.04 0.95 0.22 1syoB1 ALA 1039 H -0.16 0.28 -0.04 -0.55 8.40 7.93 1syoB1 ALA 1039 HA -0.10 0.04 0.27 -0.75 4.34 3.80 1syoB1 ALA 1039 HB3 -0.11 0.04 0.04 -0.04 1.41 1.33 1syoB1 GLN 1040 H -0.36 0.05 -0.39 -0.55 8.47 7.22 1syoB1 GLN 1040 HA -0.11 0.15 0.47 -0.75 4.36 4.12 1syoB1 GLN 1040 HB2 -0.70 -0.04 -0.03 -0.04 2.15 1.33 1syoB1 GLN 1040 HB3 0.01 0.03 0.01 -0.04 2.02 2.02 1syoB1 GLN 1040 HG2 0.13 0.03 -0.01 -0.04 2.40 2.52 1syoB1 GLN 1040 HG3 -0.02 0.06 0.02 -0.04 2.39 2.40 1syoB1 GLN 1040 HE21 -0.10 -0.00 -0.07 -0.04 6.97 6.76 1syoB1 GLN 1040 HE22 -0.06 0.06 -0.07 -0.04 7.69 7.58 1syoB1 CYS 1041 H -0.18 0.46 -0.13 -0.55 8.50 8.10 1syoB1 CYS 1041 HA -0.02 0.15 0.82 -0.75 4.58 4.77 1syoB1 CYS 1041 HB2 -0.08 0.06 0.03 -0.04 2.97 2.95 1syoB1 CYS 1041 HB3 -0.02 -0.04 -0.04 -0.04 2.97 2.83 1syoB1 GLY 1042 H -0.07 0.24 -0.15 -0.55 8.43 7.90 1syoB1 GLY 1042 HA2 -0.03 0.11 0.30 -0.51 4.01 3.88 1syoB1 GLY 1042 HA3 -0.02 0.16 0.79 -0.51 4.01 4.43 1syoB1 PRO 1043 HA -0.02 0.05 0.48 -0.51 4.44 4.44 1syoB1 PRO 1043 HB2 -0.00 0.11 0.03 -0.04 2.28 2.38 1syoB1 PRO 1043 HB3 -0.01 0.01 0.10 -0.04 2.02 2.08 1syoB1 PRO 1043 HG2 0.00 0.02 0.08 -0.04 2.03 2.09 1syoB1 PRO 1043 HG3 -0.01 0.07 0.07 -0.04 2.03 2.13 1syoB1 PRO 1043 HD2 -0.01 0.12 0.23 -0.04 3.68 3.98 1syoB1 PRO 1043 HD3 -0.02 0.15 0.16 -0.04 3.65 3.89 1syoB1 SER 1044 H 0.00 0.07 -0.18 -0.55 8.46 7.81 1syoB1 SER 1044 HA 0.02 0.37 0.80 -0.75 4.49 4.92 1syoB1 SER 1044 HB2 0.04 -0.15 0.16 -0.04 3.95 3.96 1syoB1 SER 1044 HB3 0.02 0.07 0.03 -0.04 3.93 4.01 1syoB1 SER 1045 H -0.01 0.25 -0.47 -0.55 8.46 7.68 1syoB1 SER 1045 HA -0.01 0.07 0.56 -0.75 4.49 4.35 1syoB1 SER 1045 HB2 -0.01 0.21 -0.09 -0.04 3.95 4.02 1syoB1 SER 1045 HB3 -0.02 0.03 -0.09 -0.04 3.93 3.80 1syoB1 ALA 1046 H -0.13 0.96 0.50 -0.55 8.40 9.19 1syoB1 ALA 1046 HA -0.15 0.15 0.91 -0.75 4.34 4.50 1syoB1 ALA 1046 HB3 -0.71 -0.00 -0.13 -0.04 1.41 0.53 1syoB1 VAL 1047 H -0.13 0.26 0.17 -0.55 8.24 8.00 1syoB1 VAL 1047 HA -0.07 0.40 0.94 -0.75 4.13 4.65 1syoB1 VAL 1047 HB -0.03 -0.11 -0.09 -0.04 2.12 1.85 1syoB1 VAL 1047 HG13 0.01 0.01 -0.24 -0.04 0.97 0.72 1syoB1 VAL 1047 HG23 -0.26 0.01 -0.31 -0.04 0.95 0.34 1syoB1 CYS 1048 H 0.04 0.67 0.17 -0.55 8.50 8.84 1syoB1 CYS 1048 HA 0.07 0.07 0.71 -0.75 4.58 4.67 1syoB1 CYS 1048 HB2 0.02 -0.01 -0.10 -0.04 2.97 2.84 1syoB1 CYS 1048 HB3 0.07 0.01 0.11 -0.04 2.97 3.12 1syoB1 MET 1049 H 0.09 0.65 0.18 -0.55 8.47 8.84 1syoB1 MET 1049 HA -0.17 0.18 0.95 -0.75 4.52 4.73 1syoB1 MET 1049 HB2 -0.09 -0.01 -0.12 -0.04 2.15 1.89 1syoB1 MET 1049 HB3 -0.05 0.13 0.14 -0.04 2.03 2.21 1syoB1 MET 1049 HG2 -0.28 -0.04 -0.47 -0.04 2.63 1.80 1syoB1 MET 1049 HG3 -1.02 -0.04 -0.23 -0.04 2.56 1.23 1syoB1 MET 1049 HE3 -0.15 -0.01 -0.13 -0.04 2.10 1.77 1syoB1 HIS 1050 H -0.07 0.86 0.28 -0.55 8.41 8.94 1syoB1 HIS 1050 HA -0.35 0.22 0.87 -0.75 4.63 4.63 1syoB1 HIS 1050 HB2 -0.09 -0.04 -0.02 -0.04 3.26 3.06 1syoB1 HIS 1050 HB3 -0.18 0.00 0.23 -0.04 3.20 3.21 1syoB1 HIS 1050 HD2 -0.69 0.34 -0.27 -0.04 6.97 6.31 1syoB1 HIS 1050 HE1 -0.11 0.01 -0.10 -0.04 7.75 7.51 1syoB1 ASP 1051 H 0.03 0.54 0.26 -0.55 8.40 8.69 1syoB1 ASP 1051 HA -0.18 0.07 0.54 -0.75 4.63 4.31 1syoB1 ASP 1051 HB2 -0.06 0.09 0.09 -0.04 2.71 2.78 1syoB1 ASP 1051 HB3 0.05 -0.05 0.21 -0.04 2.70 2.86 1syoB1 LEU 1052 H -0.30 0.55 0.52 -0.55 8.37 8.59 1syoB1 LEU 1052 HA -0.52 0.02 0.40 -0.75 4.35 3.50 1syoB1 LEU 1052 HB2 -0.23 0.24 0.20 -0.04 1.64 1.81 1syoB1 LEU 1052 HB3 -0.25 -0.04 0.13 -0.04 1.64 1.44 1syoB1 LEU 1052 HG -0.39 0.08 0.14 -0.04 1.64 1.43 1syoB1 LEU 1052 HD13 -0.20 -0.02 -0.10 -0.04 0.93 0.56 1syoB1 LEU 1052 HD23 -0.90 -0.03 -0.08 -0.04 0.89 -0.16 1syoB1 LYS 1053 H -0.14 0.06 -0.28 -0.55 8.42 7.50 1syoB1 LYS 1053 HA -0.08 0.13 0.53 -0.75 4.32 4.14 1syoB1 LYS 1053 HB2 -0.07 -0.11 0.13 -0.04 1.87 1.78 1syoB1 LYS 1053 HB3 -0.05 0.01 0.01 -0.04 1.79 1.71 1syoB1 LYS 1053 HG2 -0.06 -0.01 0.01 -0.04 1.46 1.36 1syoB1 LYS 1053 HG3 -0.10 0.02 0.04 -0.04 1.46 1.38 1syoB1 LYS 1053 HD2 -0.07 0.08 0.00 -0.04 1.69 1.66 1syoB1 LYS 1053 HD3 -0.08 0.01 0.08 -0.04 1.68 1.65 1syoB1 LYS 1053 HE2 -0.05 -0.02 0.02 -0.04 2.99 2.91 1syoB1 LYS 1053 HE3 -0.05 -0.05 0.01 -0.04 2.99 2.86 1syoB1 THR 1054 H -0.06 0.05 -0.02 -0.55 8.28 7.70 1syoB1 THR 1054 HA -0.02 0.14 0.52 -0.75 4.39 4.27 1syoB1 THR 1054 HB 0.01 0.02 0.08 -0.04 4.32 4.39 1syoB1 THR 1054 HG23 -0.01 -0.01 0.00 -0.04 1.22 1.16 1syoB1 ASP 1055 H -0.08 0.10 -0.63 -0.55 8.40 7.23 1syoB1 ASP 1055 HA -0.03 0.03 0.24 -0.75 4.63 4.12 1syoB1 ASP 1055 HB2 -0.02 0.07 -0.12 -0.04 2.71 2.60 1syoB1 ASP 1055 HB3 0.00 0.11 -0.04 -0.04 2.70 2.73 1syoB1 SER 1056 H -0.01 0.32 0.05 -0.55 8.46 8.27 1syoB1 SER 1056 HA -0.09 0.15 0.75 -0.75 4.49 4.55 1syoB1 SER 1056 HB2 -0.13 0.02 0.06 -0.04 3.95 3.86 1syoB1 SER 1056 HB3 -0.00 0.14 -0.17 -0.04 3.93 3.85 1syoB1 PHE 1057 H -0.01 0.19 0.15 -0.55 8.34 8.12 1syoB1 PHE 1057 HA 0.01 0.29 1.02 -0.75 4.62 5.18 1syoB1 PHE 1057 HB2 -0.16 -0.01 -0.10 -0.04 3.15 2.84 1syoB1 PHE 1057 HB3 -0.10 -0.05 -0.20 -0.04 3.06 2.67 1syoB1 PHE 1057 HD2 -0.16 0.01 -0.16 -0.04 7.28 6.92 1syoB1 PHE 1057 HE2 -0.29 0.05 -0.13 -0.04 7.38 6.97 1syoB1 PHE 1057 HZ -0.47 0.04 -0.11 -0.04 7.32 6.74 1syoB1 HIS 1058 H 0.21 0.39 0.16 -0.55 8.41 8.63 1syoB1 HIS 1058 HA 0.05 0.14 0.75 -0.75 4.63 4.82 1syoB1 HIS 1058 HB2 0.00 -0.03 0.06 -0.04 3.26 3.25 1syoB1 HIS 1058 HB3 0.03 0.06 0.06 -0.04 3.20 3.30 1syoB1 HIS 1058 HD2 -0.02 0.15 -0.21 -0.04 6.97 6.84 1syoB1 HIS 1058 HE1 0.01 -0.02 -0.07 -0.04 7.75 7.62 1syoB1 SER 1059 H 0.07 0.18 0.18 -0.55 8.46 8.35 1syoB1 SER 1059 HA 0.05 0.06 0.70 -0.75 4.49 4.55 1syoB1 SER 1059 HB2 0.02 0.13 0.20 -0.04 3.95 4.27 1syoB1 SER 1059 HB3 0.04 0.01 0.13 -0.04 3.93 4.07 1syoB1 VAL 1060 H 0.03 0.68 0.37 -0.55 8.24 8.77 1syoB1 VAL 1060 HA 0.04 0.16 0.58 -0.75 4.13 4.16 1syoB1 VAL 1060 HB -0.11 0.03 0.01 -0.04 2.12 2.01 1syoB1 VAL 1060 HG13 -0.16 0.03 -0.32 -0.04 0.97 0.48 1syoB1 VAL 1060 HG23 -0.04 0.00 -0.21 -0.04 0.95 0.66 1syoB1 GLY 1061 H 0.03 0.04 0.03 -0.55 8.43 7.99 1syoB1 GLY 1061 HA2 0.16 0.27 0.32 -0.51 4.01 4.24 1syoB1 GLY 1061 HA3 0.02 0.01 0.30 -0.51 4.01 3.83 1syoB1 ASP 1062 H 0.15 0.81 0.11 -0.55 8.40 8.93 1syoB1 ASP 1062 HA 0.04 0.09 0.83 -0.75 4.63 4.84 1syoB1 ASP 1062 HB2 0.07 -0.02 0.19 -0.04 2.71 2.91 1syoB1 ASP 1062 HB3 0.11 0.04 0.22 -0.04 2.70 3.03 1syoB1 SER 1063 H 0.04 0.87 0.32 -0.55 8.46 9.14 1syoB1 SER 1063 HA 0.36 0.08 0.30 -0.75 4.49 4.48 1syoB1 SER 1063 HB2 0.13 0.07 -0.08 -0.04 3.95 4.03 1syoB1 SER 1063 HB3 0.02 -0.05 -0.07 -0.04 3.93 3.78 1syoB1 LEU 1064 H 0.10 0.02 -0.28 -0.55 8.37 7.66 1syoB1 LEU 1064 HA 0.08 0.19 0.61 -0.75 4.35 4.47 1syoB1 LEU 1064 HB2 0.06 -0.05 0.01 -0.04 1.64 1.62 1syoB1 LEU 1064 HB3 0.05 0.02 0.06 -0.04 1.64 1.72 1syoB1 LEU 1064 HG 0.05 -0.03 0.01 -0.04 1.64 1.63 1syoB1 LEU 1064 HD13 0.03 -0.01 -0.00 -0.04 0.93 0.91 1syoB1 LEU 1064 HD23 0.05 0.03 -0.05 -0.04 0.89 0.88 1syoB1 LEU 1065 H 0.13 0.18 -0.33 -0.55 8.37 7.80 1syoB1 LEU 1065 HA 0.06 0.16 0.73 -0.75 4.35 4.55 1syoB1 LEU 1065 HB2 0.11 0.10 0.16 -0.04 1.64 1.97 1syoB1 LEU 1065 HB3 0.08 -0.08 0.19 -0.04 1.64 1.79 1syoB1 LEU 1065 HG 0.05 0.04 -0.05 -0.04 1.64 1.64 1syoB1 LEU 1065 HD13 0.05 0.02 -0.30 -0.04 0.93 0.66 1syoB1 LEU 1065 HD23 0.06 0.00 -0.21 -0.04 0.89 0.70 1syoB1 LYS 1066 H 0.06 0.25 -0.49 -0.55 8.42 7.69 1syoB1 LYS 1066 HA -0.12 0.35 1.03 -0.75 4.32 4.83 1syoB1 LYS 1066 HB2 0.13 0.05 0.01 -0.04 1.87 2.02 1syoB1 LYS 1066 HB3 0.04 0.00 0.03 -0.04 1.79 1.82 1syoB1 LYS 1066 HG2 -0.11 -0.12 -0.26 -0.04 1.46 0.94 1syoB1 LYS 1066 HG3 -0.50 0.05 0.10 -0.04 1.46 1.07 1syoB1 LYS 1066 HD2 -0.01 -0.06 -0.05 -0.04 1.69 1.53 1syoB1 LYS 1066 HD3 0.22 0.03 0.01 -0.04 1.68 1.89 1syoB1 LYS 1066 HE2 0.11 0.13 0.03 -0.04 2.99 3.21 1syoB1 LYS 1066 HE3 0.02 -0.10 -0.07 -0.04 2.99 2.80 1syoB1 THR 1067 H -0.22 0.60 0.41 -0.55 8.28 8.52 1syoB1 THR 1067 HA -0.04 0.11 0.69 -0.75 4.39 4.40 1syoB1 THR 1067 HB -0.05 -0.07 0.08 -0.04 4.32 4.24 1syoB1 THR 1067 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.12 1syoB1 ALA 1068 H -0.03 0.23 0.20 -0.55 8.40 8.25 1syoB1 ALA 1068 HA -0.01 0.36 1.05 -0.75 4.34 4.99 1syoB1 ALA 1068 HB3 -0.03 0.01 -0.03 -0.04 1.41 1.32 1syoB1 SER 1069 H 0.05 0.66 0.39 -0.55 8.46 9.01 1syoB1 SER 1069 HA -0.02 0.14 0.71 -0.75 4.49 4.57 1syoB1 SER 1069 HB2 0.01 -0.04 0.16 -0.04 3.95 4.05 1syoB1 SER 1069 HB3 0.02 0.08 -0.09 -0.04 3.93 3.89 1syoB1 ARG 1070 H -0.02 0.15 0.16 -0.55 8.46 8.20 1syoB1 ARG 1070 HA -0.10 0.07 0.37 -0.75 4.34 3.93 1syoB1 ARG 1070 HB2 -0.03 0.01 0.15 -0.04 1.90 1.99 1syoB1 ARG 1070 HB3 0.01 -0.08 0.15 -0.04 1.80 1.85 1syoB1 ARG 1070 HG2 0.05 0.09 -0.37 -0.04 1.67 1.41 1syoB1 ARG 1070 HG3 -0.01 0.03 -0.02 -0.04 1.67 1.62 1syoB1 ARG 1070 HD2 0.01 -0.01 -0.00 -0.04 3.22 3.17 1syoB1 ARG 1070 HD3 0.03 -0.05 -0.01 -0.04 3.22 3.14 1syoB1 SER 1071 H 0.09 -0.02 -0.24 -0.55 8.46 7.74 1syoB1 SER 1071 HA 0.26 0.30 1.09 -0.75 4.49 5.39 1syoB1 SER 1071 HB2 0.10 -0.07 0.08 -0.04 3.95 4.02 1syoB1 SER 1071 HB3 0.13 0.17 0.30 -0.04 3.93 4.49 1syoB1 LEU 1072 H 0.18 0.40 -0.10 -0.55 8.37 8.30 1syoB1 LEU 1072 HA 0.27 0.25 0.91 -0.75 4.35 5.03 1syoB1 LEU 1072 HB2 0.11 0.03 -0.26 -0.04 1.64 1.48 1syoB1 LEU 1072 HB3 0.09 -0.10 -0.01 -0.04 1.64 1.58 1syoB1 LEU 1072 HG 0.09 0.01 -0.32 -0.04 1.64 1.37 1syoB1 LEU 1072 HD13 0.12 0.08 -0.06 -0.04 0.93 1.03 1syoB1 LEU 1072 HD23 0.07 -0.02 -0.10 -0.04 0.89 0.81 1syoB1 LEU 1073 H 0.27 0.68 0.34 -0.55 8.37 9.12 1syoB1 LEU 1073 HA 0.02 0.23 1.13 -0.75 4.35 4.98 1syoB1 LEU 1073 HB2 0.54 -0.02 0.16 -0.04 1.64 2.27 1syoB1 LEU 1073 HB3 0.09 0.01 -0.05 -0.04 1.64 1.64 1syoB1 LEU 1073 HG 0.34 -0.03 -0.12 -0.04 1.64 1.79 1syoB1 LEU 1073 HD13 0.45 0.01 -0.08 -0.04 0.93 1.27 1syoB1 LEU 1073 HD23 0.04 0.02 0.05 -0.04 0.89 0.97 1syoB1 GLU 1074 H -0.21 0.79 0.42 -0.55 8.60 9.06 1syoB1 GLU 1074 HA -0.02 0.26 1.15 -0.75 4.29 4.93 1syoB1 GLU 1074 HB2 -0.06 -0.03 0.12 -0.04 2.09 2.08 1syoB1 GLU 1074 HB3 -0.00 0.03 0.04 -0.04 1.99 2.02 1syoB1 GLU 1074 HG2 0.05 0.03 -0.11 -0.04 2.34 2.27 1syoB1 GLU 1074 HG3 0.02 -0.06 -0.36 -0.04 2.34 1.90 1syoB1 PHE 1075 H 0.15 0.65 0.38 -0.55 8.34 8.96 1syoB1 PHE 1075 HA 0.06 0.35 1.10 -0.75 4.62 5.38 1syoB1 PHE 1075 HB2 0.06 -0.07 0.19 -0.04 3.15 3.30 1syoB1 PHE 1075 HB3 0.06 -0.17 -0.05 -0.04 3.06 2.86 1syoB1 PHE 1075 HD2 0.07 0.13 -0.28 -0.04 7.28 7.15 1syoB1 PHE 1075 HE2 0.11 0.04 -0.13 -0.04 7.38 7.35 1syoB1 PHE 1075 HZ 0.13 0.07 -0.06 -0.04 7.32 7.42 1syoB1 ASN 1076 H 0.14 0.86 0.40 -0.55 8.53 9.38 1syoB1 ASN 1076 HA 0.10 0.23 1.03 -0.75 4.76 5.37 1syoB1 ASN 1076 HB2 0.07 0.02 0.18 -0.04 2.88 3.10 1syoB1 ASN 1076 HB3 0.06 0.10 0.22 -0.04 2.79 3.13 1syoB1 ASN 1076 HD21 0.04 -0.06 -0.04 -0.04 7.03 6.93 1syoB1 ASN 1076 HD22 0.04 -0.01 0.01 -0.04 7.74 7.74 1syoB1 THR 1077 H 0.07 0.50 0.36 -0.55 8.28 8.66 1syoB1 THR 1077 HA 0.07 0.05 0.74 -0.75 4.39 4.50 1syoB1 THR 1077 HB 0.06 -0.12 0.09 -0.04 4.32 4.31 1syoB1 THR 1077 HG23 0.08 0.03 -0.51 -0.04 1.22 0.78 1syoB1 THR 1078 H 0.05 0.12 0.10 -0.55 8.28 8.00 1syoB1 THR 1078 HA 0.04 0.26 0.86 -0.75 4.39 4.80 1syoB1 THR 1078 HB 0.03 -0.00 0.21 -0.04 4.32 4.52 1syoB1 THR 1078 HG23 0.03 0.01 -0.08 -0.04 1.22 1.14 1syoB1 VAL 1079 H 0.05 0.17 -0.11 -0.55 8.24 7.80 1syoB1 VAL 1079 HA 0.04 0.10 0.87 -0.75 4.13 4.39 1syoB1 VAL 1079 HB 0.06 0.09 0.14 -0.04 2.12 2.37 1syoB1 VAL 1079 HG13 0.06 -0.01 -0.05 -0.04 0.97 0.93 1syoB1 VAL 1079 HG23 0.06 -0.03 -0.02 -0.04 0.95 0.92 1syoB1 ASN 1080 H 0.04 0.12 0.08 -0.55 8.53 8.22 1syoB1 ASN 1080 HA 0.04 0.16 0.17 -0.75 4.76 4.36 1syoB1 ASN 1080 HB2 0.03 -0.02 0.12 -0.04 2.88 2.97 1syoB1 ASN 1080 HB3 0.03 0.01 0.09 -0.04 2.79 2.88 1syoB1 ASN 1080 HD21 0.02 0.01 0.03 -0.04 7.03 7.04 1syoB1 ASN 1080 HD22 0.03 -0.02 0.06 -0.04 7.74 7.77 1syoB1 ILE 1088 HA 0.08 0.21 0.40 -0.75 4.18 4.12 1syoB1 ILE 1088 HB 0.08 -0.15 0.17 -0.04 1.89 1.94 1syoB1 ILE 1088 HG12 0.09 0.01 -0.13 -0.04 1.49 1.43 1syoB1 ILE 1088 HG13 0.06 0.10 -0.32 -0.04 1.21 1.02 1syoB1 ILE 1088 HG23 0.13 -0.00 -0.12 -0.04 0.93 0.89 1syoB1 ILE 1088 HD13 0.08 -0.05 -0.07 -0.04 0.88 0.79 1syoB1 GLN 1089 H 0.12 0.48 0.43 -0.55 8.47 8.95 1syoB1 GLN 1089 HA 0.12 0.12 0.69 -0.75 4.36 4.53 1syoB1 GLN 1089 HB2 0.09 0.09 0.19 -0.04 2.15 2.48 1syoB1 GLN 1089 HB3 0.07 0.04 0.00 -0.04 2.02 2.10 1syoB1 GLN 1089 HG2 0.03 0.02 -0.08 -0.04 2.40 2.33 1syoB1 GLN 1089 HG3 0.00 -0.09 -0.19 -0.04 2.39 2.07 1syoB1 GLN 1089 HE21 0.04 -0.04 -0.07 -0.04 6.97 6.85 1syoB1 GLN 1089 HE22 0.03 0.00 -0.10 -0.04 7.69 7.58 1syoB1 SER 1090 H 0.18 0.65 0.57 -0.55 8.46 9.32 1syoB1 SER 1090 HA 0.18 0.12 1.16 -0.75 4.49 5.19 1syoB1 SER 1090 HB2 0.26 -0.09 0.14 -0.04 3.95 4.23 1syoB1 SER 1090 HB3 0.24 -0.03 -0.01 -0.04 3.93 4.09 1syoB1 SER 1091 H 0.18 0.72 0.40 -0.55 8.46 9.22 1syoB1 SER 1091 HA 0.13 0.28 1.10 -0.75 4.49 5.24 1syoB1 SER 1091 HB2 -0.02 0.01 -0.14 -0.04 3.95 3.76 1syoB1 SER 1091 HB3 -0.07 -0.08 0.09 -0.04 3.93 3.83 1syoB1 ILE 1092 H 0.16 0.78 0.34 -0.55 8.25 8.98 1syoB1 ILE 1092 HA 0.12 0.21 1.14 -0.75 4.18 4.90 1syoB1 ILE 1092 HB 0.05 -0.03 0.07 -0.04 1.89 1.94 1syoB1 ILE 1092 HG12 0.04 0.02 -0.27 -0.04 1.49 1.24 1syoB1 ILE 1092 HG13 0.22 -0.03 -0.32 -0.04 1.21 1.04 1syoB1 ILE 1092 HG23 -0.36 -0.01 -0.33 -0.04 0.93 0.19 1syoB1 ILE 1092 HD13 0.17 0.00 -0.18 -0.04 0.88 0.83 1syoB1 THR 1093 H -0.02 0.64 0.30 -0.55 8.28 8.65 1syoB1 THR 1093 HA 0.07 0.22 0.97 -0.75 4.39 4.91 1syoB1 THR 1093 HB 0.00 -0.05 0.28 -0.04 4.32 4.52 1syoB1 THR 1093 HG23 0.05 0.02 -0.05 -0.04 1.22 1.19 1syoB1 PHE 1094 H 0.26 0.48 0.17 -0.55 8.34 8.70 1syoB1 PHE 1094 HA -0.01 0.21 0.94 -0.75 4.62 5.01 1syoB1 PHE 1094 HB2 0.01 0.01 0.11 -0.04 3.15 3.24 1syoB1 PHE 1094 HB3 -0.15 0.01 0.01 -0.04 3.06 2.89 1syoB1 PHE 1094 HD2 -0.41 0.00 -0.16 -0.04 7.28 6.67 1syoB1 PHE 1094 HE2 -0.73 -0.02 -0.12 -0.04 7.38 6.47 1syoB1 PHE 1094 HZ -0.29 -0.00 -0.14 -0.04 7.32 6.85 1syoB1 LEU 1095 H 0.11 0.61 0.35 -0.55 8.37 8.90 1syoB1 LEU 1095 HA 0.10 0.16 0.86 -0.75 4.35 4.72 1syoB1 LEU 1095 HB2 0.05 -0.08 -0.04 -0.04 1.64 1.53 1syoB1 LEU 1095 HB3 0.04 0.03 0.05 -0.04 1.64 1.72 1syoB1 LEU 1095 HG 0.05 -0.02 -0.55 -0.04 1.64 1.08 1syoB1 LEU 1095 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 1syoB1 LEU 1095 HD23 0.05 0.04 0.07 -0.04 0.89 1.00 1syoB1 CYS 1096 H 0.11 0.21 0.11 -0.55 8.50 8.38 1syoB1 CYS 1096 HA 0.17 0.12 0.24 -0.75 4.58 4.37 1syoB1 CYS 1096 HB2 0.15 0.09 -0.07 -0.04 2.97 3.10 1syoB1 CYS 1096 HB3 0.19 0.19 -0.48 -0.04 2.97 2.83 1syoB1 GLY 1097 H 0.22 0.36 -0.22 -0.55 8.43 8.24 1syoB1 GLY 1097 HA2 0.35 0.18 0.61 -0.51 4.01 4.64 1syoB1 GLY 1097 HA3 0.16 0.05 -0.06 -0.51 4.01 3.65 1syoB1 LYS 1098 H 0.13 0.16 0.01 -0.55 8.42 8.17 1syoB1 LYS 1098 HA -0.26 0.23 0.81 -0.75 4.32 4.35 1syoB1 LYS 1098 HB2 -0.14 -0.00 0.00 -0.04 1.87 1.69 1syoB1 LYS 1098 HB3 -0.31 0.04 0.10 -0.04 1.79 1.57 1syoB1 LYS 1098 HG2 -1.24 0.03 -0.10 -0.04 1.46 0.10 1syoB1 LYS 1098 HG3 -0.75 -0.06 -0.22 -0.04 1.46 0.39 1syoB1 LYS 1098 HD2 -0.43 -0.00 -0.07 -0.04 1.69 1.14 1syoB1 LYS 1098 HD3 -0.57 -0.01 -0.05 -0.04 1.68 1.00 1syoB1 LYS 1098 HE2 -1.02 -0.04 -0.06 -0.04 2.99 1.83 1syoB1 LYS 1098 HE3 -2.31 -0.02 -0.12 -0.04 2.99 0.50 1syoB1 THR 1099 H 0.05 0.14 -0.15 -0.55 8.28 7.77 1syoB1 THR 1099 HA 0.02 0.27 0.67 -0.75 4.39 4.61 1syoB1 THR 1099 HB 0.05 -0.06 0.12 -0.04 4.32 4.39 1syoB1 THR 1099 HG23 -0.01 0.05 -0.20 -0.04 1.22 1.02 1syoB1 LEU 1100 H 0.10 0.25 0.10 -0.55 8.37 8.28 1syoB1 LEU 1100 HA 0.09 -0.10 0.38 -0.75 4.35 3.97 1syoB1 LEU 1100 HB2 0.21 0.01 0.06 -0.04 1.64 1.88 1syoB1 LEU 1100 HB3 0.40 0.13 -0.17 -0.04 1.64 1.97 1syoB1 LEU 1100 HG 0.17 -0.04 -0.06 -0.04 1.64 1.67 1syoB1 LEU 1100 HD13 0.46 0.06 -0.21 -0.04 0.93 1.19 1syoB1 LEU 1100 HD23 0.08 -0.03 -0.07 -0.04 0.89 0.82 1syoB1 GLY 1101 H 0.13 -0.06 -0.22 -0.55 8.43 7.73 1syoB1 GLY 1101 HA2 0.05 -0.06 0.23 -0.51 4.01 3.73 1syoB1 GLY 1101 HA3 0.17 0.32 0.37 -0.51 4.01 4.36 1syoB1 THR 1102 H -0.11 0.30 0.21 -0.55 8.28 8.13 1syoB1 THR 1102 HA -0.51 0.17 0.62 -0.75 4.39 3.91 1syoB1 THR 1102 HB -0.80 0.13 0.01 -0.04 4.32 3.62 1syoB1 THR 1102 HG23 -0.83 -0.04 -0.29 -0.04 1.22 0.01 1syoB1 PRO 1103 HA -0.77 0.14 0.63 -0.51 4.44 3.93 1syoB1 PRO 1103 HB2 -0.48 0.01 -0.15 -0.04 2.28 1.62 1syoB1 PRO 1103 HB3 -1.47 0.01 -0.06 -0.04 2.02 0.46 1syoB1 PRO 1103 HG2 -0.39 0.06 -0.04 -0.04 2.03 1.62 1syoB1 PRO 1103 HG3 -0.87 0.02 -0.09 -0.04 2.03 1.05 1syoB1 PRO 1103 HD2 -0.55 0.10 0.19 -0.04 3.68 3.37 1syoB1 PRO 1103 HD3 -2.74 0.15 0.07 -0.04 3.65 1.09 1syoB1 GLU 1104 H -0.15 0.81 0.51 -0.55 8.60 9.22 1syoB1 GLU 1104 HA 0.04 0.08 0.84 -0.75 4.29 4.49 1syoB1 GLU 1104 HB2 -0.03 -0.02 0.17 -0.04 2.09 2.17 1syoB1 GLU 1104 HB3 0.02 0.07 0.06 -0.04 1.99 2.10 1syoB1 GLU 1104 HG2 -0.10 0.08 0.06 -0.04 2.34 2.34 1syoB1 GLU 1104 HG3 -0.04 -0.03 0.04 -0.04 2.34 2.28 1syoB1 PHE 1105 H 0.24 0.11 0.24 -0.55 8.34 8.38 1syoB1 PHE 1105 HA -0.36 0.11 0.63 -0.75 4.62 4.24 1syoB1 PHE 1105 HB2 -0.00 -0.08 -0.03 -0.04 3.15 2.99 1syoB1 PHE 1105 HB3 -0.01 0.08 0.21 -0.04 3.06 3.30 1syoB1 PHE 1105 HD2 -0.63 -0.00 -0.12 -0.04 7.28 6.49 1syoB1 PHE 1105 HE2 -0.15 -0.01 -0.15 -0.04 7.38 7.04 1syoB1 PHE 1105 HZ -0.05 -0.04 -0.25 -0.04 7.32 6.94 1syoB1 VAL 1106 H -0.93 0.58 0.31 -0.55 8.24 7.65 1syoB1 VAL 1106 HA -0.30 0.16 0.83 -0.75 4.13 4.07 1syoB1 VAL 1106 HB -0.35 -0.09 0.04 -0.04 2.12 1.68 1syoB1 VAL 1106 HG13 -0.20 -0.01 -0.10 -0.04 0.97 0.62 1syoB1 VAL 1106 HG23 -0.15 0.01 -0.20 -0.04 0.95 0.57 1syoB1 THR 1107 H -0.72 0.29 0.29 -0.55 8.28 7.58 1syoB1 THR 1107 HA -0.47 0.16 0.63 -0.75 4.39 3.96 1syoB1 THR 1107 HB -0.20 0.09 -0.19 -0.04 4.32 3.97 1syoB1 THR 1107 HG23 -0.10 -0.02 -0.20 -0.04 1.22 0.86 1syoB1 ALA 1108 H 0.04 0.26 0.12 -0.55 8.40 8.27 1syoB1 ALA 1108 HA -0.08 0.19 1.01 -0.75 4.34 4.70 1syoB1 ALA 1108 HB3 0.02 0.01 0.02 -0.04 1.41 1.42 1syoB1 THR 1109 H 0.02 0.28 0.20 -0.55 8.28 8.23 1syoB1 THR 1109 HA 0.02 0.11 0.54 -0.75 4.39 4.30 1syoB1 THR 1109 HB 0.04 -0.05 0.25 -0.04 4.32 4.53 1syoB1 THR 1109 HG23 0.19 0.03 0.04 -0.04 1.22 1.44 1syoB1 ASP 1110 H 0.01 0.08 0.18 -0.55 8.40 8.13 1syoB1 ASP 1110 HA -0.01 0.19 0.57 -0.75 4.63 4.63 1syoB1 ASP 1110 HB2 0.02 0.00 0.08 -0.04 2.71 2.77 1syoB1 ASP 1110 HB3 0.01 0.05 0.09 -0.04 2.70 2.81 1syoB1 CYS 1111 H 0.01 -0.11 0.02 -0.55 8.50 7.87 1syoB1 CYS 1111 HA 0.06 0.30 0.88 -0.75 4.58 5.06 1syoB1 CYS 1111 HB2 0.03 -0.10 0.04 -0.04 2.97 2.90 1syoB1 CYS 1111 HB3 0.05 0.15 0.14 -0.04 2.97 3.26 1syoB1 VAL 1112 H -0.06 -0.07 -0.07 -0.55 8.24 7.49 1syoB1 VAL 1112 HA -0.01 0.47 1.13 -0.75 4.13 4.97 1syoB1 VAL 1112 HB -0.25 -0.15 0.01 -0.04 2.12 1.69 1syoB1 VAL 1112 HG13 -0.71 0.02 -0.24 -0.04 0.97 0.00 1syoB1 VAL 1112 HG23 -0.01 0.00 -0.20 -0.04 0.95 0.70 1syoB1 HIS 1113 H 0.08 0.65 0.36 -0.55 8.41 8.95 1syoB1 HIS 1113 HA -0.03 0.12 1.06 -0.75 4.63 5.02 1syoB1 HIS 1113 HB2 0.22 0.04 0.22 -0.04 3.26 3.70 1syoB1 HIS 1113 HB3 0.16 -0.01 0.00 -0.04 3.20 3.30 1syoB1 HIS 1113 HD2 0.09 0.16 -0.18 -0.04 6.97 7.00 1syoB1 HIS 1113 HE1 0.12 -0.02 -0.14 -0.04 7.75 7.67 1syoB1 TYR 1114 H -0.19 0.64 0.39 -0.55 8.29 8.58 1syoB1 TYR 1114 HA -0.01 0.27 1.11 -0.75 4.56 5.18 1syoB1 TYR 1114 HB2 -0.32 -0.14 0.17 -0.04 3.06 2.73 1syoB1 TYR 1114 HB3 -0.17 0.06 0.07 -0.04 2.98 2.90 1syoB1 TYR 1114 HD2 -0.08 0.03 -0.10 -0.04 7.15 6.95 1syoB1 TYR 1114 HE2 -0.02 -0.03 -0.07 -0.04 6.85 6.68 1syoB1 PHE 1115 H 0.20 0.71 0.54 -0.55 8.34 9.24 1syoB1 PHE 1115 HA -0.12 0.10 1.01 -0.75 4.62 4.86 1syoB1 PHE 1115 HB2 -0.06 -0.02 0.02 -0.04 3.15 3.05 1syoB1 PHE 1115 HB3 -0.12 0.03 -0.06 -0.04 3.06 2.87 1syoB1 PHE 1115 HD2 -0.04 0.09 -0.33 -0.04 7.28 6.95 1syoB1 PHE 1115 HE2 -0.19 -0.03 -0.22 -0.04 7.38 6.89 1syoB1 PHE 1115 HZ -1.81 -0.04 -0.22 -0.04 7.32 5.21 1syoB1 GLU 1116 H 0.03 0.79 0.36 -0.55 8.60 9.24 1syoB1 GLU 1116 HA -0.03 0.22 0.98 -0.75 4.29 4.71 1syoB1 GLU 1116 HB2 -0.03 -0.03 -0.07 -0.04 2.09 1.92 1syoB1 GLU 1116 HB3 -0.02 -0.03 0.10 -0.04 1.99 1.99 1syoB1 GLU 1116 HG2 0.01 -0.02 -0.12 -0.04 2.34 2.16 1syoB1 GLU 1116 HG3 -0.00 0.04 0.03 -0.04 2.34 2.38 1syoB1 TRP 1117 H -0.06 0.82 0.27 -0.55 7.97 8.46 1syoB1 TRP 1117 HA -0.18 0.17 0.96 -0.75 4.62 4.81 1syoB1 TRP 1117 HB2 -0.52 -0.05 -0.24 -0.04 3.23 2.38 1syoB1 TRP 1117 HB3 -0.71 -0.02 0.02 -0.04 3.23 2.49 1syoB1 TRP 1117 HD1 -0.19 0.10 -0.52 -0.04 7.22 6.58 1syoB1 TRP 1117 HE1 -0.43 0.25 -0.39 -0.04 10.20 9.58 1syoB1 TRP 1117 HE3 -0.41 -0.03 -0.17 -0.04 7.59 6.94 1syoB1 TRP 1117 HZ2 -3.06 0.05 -0.12 -0.04 7.44 4.28 1syoB1 TRP 1117 HZ3 -0.30 -0.02 -0.11 -0.04 7.13 6.66 1syoB1 TRP 1117 HH2 -2.54 0.07 -0.03 -0.04 7.19 4.65 1syoB1 ARG 1118 H 0.15 0.19 0.09 -0.55 8.46 8.34 1syoB1 ARG 1118 HA 0.10 0.28 0.69 -0.75 4.34 4.65 1syoB1 ARG 1118 HB2 0.04 -0.06 0.15 -0.04 1.90 1.99 1syoB1 ARG 1118 HB3 0.05 0.01 -0.11 -0.04 1.80 1.72 1syoB1 ARG 1118 HG2 0.02 0.03 -0.09 -0.04 1.67 1.59 1syoB1 ARG 1118 HG3 0.01 -0.04 -0.04 -0.04 1.67 1.55 1syoB1 ARG 1118 HD2 -0.14 -0.01 -0.03 -0.04 3.22 3.00 1syoB1 ARG 1118 HD3 -0.08 0.01 -0.04 -0.04 3.22 3.07 1syoB1 THR 1119 H 0.08 0.70 0.29 -0.55 8.28 8.80 1syoB1 THR 1119 HA 0.08 0.34 0.71 -0.75 4.39 4.76 1syoB1 THR 1119 HB -0.21 0.30 -0.27 -0.04 4.32 4.11 1syoB1 THR 1119 HG23 -0.43 -0.00 -0.18 -0.04 1.22 0.57 1syoB1 THR 1120 H 0.06 0.44 -0.11 -0.55 8.28 8.13 1syoB1 THR 1120 HA 0.17 0.24 0.38 -0.75 4.39 4.43 1syoB1 THR 1120 HB 0.12 -0.01 -0.31 -0.04 4.32 4.08 1syoB1 THR 1120 HG23 0.04 0.08 -0.46 -0.04 1.22 0.84 1syoB1 ALA 1121 H -0.02 0.08 -0.51 -0.55 8.40 7.40 1syoB1 ALA 1121 HA 0.05 0.13 0.47 -0.75 4.34 4.24 1syoB1 ALA 1121 HB3 -0.05 -0.00 -0.05 -0.04 1.41 1.28 1syoB1 ALA 1122 H 0.07 0.46 -0.45 -0.55 8.40 7.93 1syoB1 ALA 1122 HA 0.25 0.23 0.78 -0.75 4.34 4.85 1syoB1 ALA 1122 HB3 0.13 0.03 -0.14 -0.04 1.41 1.39 1syoB1 CYS 1123 H 0.10 0.26 -0.37 -0.55 8.50 7.94 1syoB1 CYS 1123 HA 0.09 0.09 0.83 -0.75 4.58 4.83 1syoB1 CYS 1123 HB2 0.10 0.15 0.11 -0.04 2.97 3.28 1syoB1 CYS 1123 HB3 -0.01 0.01 0.15 -0.04 2.97 3.08 1syoB1 LYS 1124 H -0.01 0.41 0.30 -0.55 8.42 8.57 1syoB1 LYS 1124 HA -0.02 0.07 0.41 -0.75 4.32 4.02 1syoB1 LYS 1124 HB2 -0.04 0.07 0.03 -0.04 1.87 1.89 1syoB1 LYS 1124 HB3 -0.03 -0.06 0.08 -0.04 1.79 1.74 1syoB1 LYS 1124 HG2 -0.00 -0.02 0.01 -0.04 1.46 1.41 1syoB1 LYS 1124 HG3 0.01 -0.01 0.03 -0.04 1.46 1.46 1syoB1 LYS 1124 HD2 -0.00 0.10 -0.18 -0.04 1.69 1.57 1syoB1 LYS 1124 HD3 -0.01 -0.03 -0.00 -0.04 1.68 1.60 1syoB1 LYS 1124 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.92 1syoB1 LYS 1124 HE3 0.02 -0.00 -0.01 -0.04 2.99 2.96 1syoB1 LYS 1125 H -0.12 0.19 -0.10 -0.55 8.42 7.83 1syoB1 LYS 1125 HA -0.06 0.23 1.04 -0.75 4.32 4.77 1syoB1 LYS 1125 HB2 -0.27 -0.02 0.09 -0.04 1.87 1.63 1syoB1 LYS 1125 HB3 -0.12 -0.11 0.04 -0.04 1.79 1.56 1syoB1 LYS 1125 HG2 -0.07 0.10 -0.08 -0.04 1.46 1.37 1syoB1 LYS 1125 HG3 -0.11 0.04 -0.18 -0.04 1.46 1.17 1syoB1 LYS 1125 HD2 -0.16 -0.06 -0.07 -0.04 1.69 1.35 1syoB1 LYS 1125 HD3 -0.08 0.01 -0.04 -0.04 1.68 1.52 1syoB1 LYS 1125 HE2 -0.05 -0.04 -0.11 -0.04 2.99 2.75 1syoB1 LYS 1125 HE3 -0.05 0.05 -0.08 -0.04 2.99 2.87 1syoB1 ASN 1126 H -0.03 0.20 0.14 -0.55 8.53 8.29 1syoB1 ASN 1126 HA 0.02 0.16 0.46 -0.75 4.76 4.64 1syoB1 ASN 1126 HB2 -0.00 -0.02 0.07 -0.04 2.88 2.88 1syoB1 ASN 1126 HB3 0.01 0.06 0.08 -0.04 2.79 2.91 1syoB1 ASN 1126 HD21 -0.02 0.03 0.01 -0.04 7.03 7.02 1syoB1 ASN 1126 HD22 -0.01 -0.01 0.02 -0.04 7.74 7.70 1syoB1 ILE 1127 H -0.04 0.00 -0.39 -0.55 8.25 7.28 1syoB1 ILE 1127 HA 0.05 0.13 0.31 -0.75 4.18 3.92 1syoB1 ILE 1127 HB -0.01 -0.05 0.04 -0.04 1.89 1.83 1syoB1 ILE 1127 HG12 0.04 -0.04 -0.00 -0.04 1.49 1.44 1syoB1 ILE 1127 HG13 0.11 0.05 0.05 -0.04 1.21 1.38 1syoB1 ILE 1127 HG23 -0.08 -0.01 -0.20 -0.04 0.93 0.60 1syoB1 ILE 1127 HD13 0.03 0.02 0.03 -0.04 0.88 0.92 1syoB1 PHE 1128 H 0.15 0.16 -0.56 -0.55 8.34 7.53 1syoB1 PHE 1128 HA -0.02 0.14 0.70 -0.75 4.62 4.68 1syoB1 PHE 1128 HB2 0.01 0.11 0.10 -0.04 3.15 3.33 1syoB1 PHE 1128 HB3 0.01 0.03 -0.00 -0.04 3.06 3.06 1syoB1 PHE 1128 HD2 0.01 0.09 -0.27 -0.04 7.28 7.07 1syoB1 PHE 1128 HE2 -0.07 -0.05 -0.13 -0.04 7.38 7.09 1syoB1 PHE 1128 HZ -0.21 0.06 -0.03 -0.04 7.32 7.10 1syoB1 LYS 1129 H 0.14 0.09 -0.11 -0.55 8.42 7.98 1syoB1 LYS 1129 HA 0.09 -0.10 0.29 -0.75 4.32 3.84 1syoB1 LYS 1129 HB2 0.06 0.09 0.09 -0.04 1.87 2.07 1syoB1 LYS 1129 HB3 0.06 0.04 -0.05 -0.04 1.79 1.80 1syoB1 LYS 1129 HG2 0.07 0.06 -0.09 -0.04 1.46 1.47 1syoB1 LYS 1129 HG3 0.08 -0.07 0.12 -0.04 1.46 1.54 1syoB1 LYS 1129 HD2 0.03 -0.05 0.04 -0.04 1.69 1.67 1syoB1 LYS 1129 HD3 0.04 -0.02 -0.02 -0.04 1.68 1.64 1syoB1 LYS 1129 HE2 0.03 0.03 0.03 -0.04 2.99 3.04 1syoB1 LYS 1129 HE3 0.01 0.01 -0.08 -0.04 2.99 2.89 1syoB1 ALA 1130 H 0.07 0.00 0.09 -0.55 8.40 8.01 1syoB1 ALA 1130 HA 0.04 0.12 0.46 -0.75 4.34 4.21 1syoB1 ALA 1130 HB3 0.05 -0.01 -0.01 -0.04 1.41 1.41 1syoB1 ASN 1131 H 0.04 0.10 0.11 -0.55 8.53 8.23 1syoB1 ASN 1131 HA 0.04 0.10 0.37 -0.75 4.76 4.51 1syoB1 ASN 1131 HB2 0.03 -0.02 0.12 -0.04 2.88 2.97 1syoB1 ASN 1131 HB3 0.03 -0.07 0.12 -0.04 2.79 2.83 1syoB1 ASN 1131 HD21 0.03 -0.00 0.02 -0.04 7.03 7.03 1syoB1 ASN 1131 HD22 0.03 0.02 0.10 -0.04 7.74 7.85 1syoB1 LYS 1132 H 0.06 -0.02 -0.18 -0.55 8.42 7.72 1syoB1 LYS 1132 HA 0.10 0.16 0.56 -0.75 4.32 4.38 1syoB1 LYS 1132 HB2 0.07 0.10 -0.17 -0.04 1.87 1.83 1syoB1 LYS 1132 HB3 0.06 -0.09 0.05 -0.04 1.79 1.77 1syoB1 LYS 1132 HG2 0.09 0.08 -0.00 -0.04 1.46 1.59 1syoB1 LYS 1132 HG3 0.12 -0.05 -0.29 -0.04 1.46 1.20 1syoB1 LYS 1132 HD2 0.15 -0.05 0.06 -0.04 1.69 1.80 1syoB1 LYS 1132 HD3 0.11 -0.01 0.07 -0.04 1.68 1.80 1syoB1 LYS 1132 HE2 0.13 0.01 -0.00 -0.04 2.99 3.09 1syoB1 LYS 1132 HE3 0.20 0.02 -0.19 -0.04 2.99 2.98 1syoB1 GLU 1133 H 0.13 0.28 0.12 -0.55 8.60 8.59 1syoB1 GLU 1133 HA 0.11 0.40 1.12 -0.75 4.29 5.16 1syoB1 GLU 1133 HB2 0.09 -0.13 -0.11 -0.04 2.09 1.90 1syoB1 GLU 1133 HB3 0.13 -0.04 0.01 -0.04 1.99 2.05 1syoB1 GLU 1133 HG2 0.11 0.17 0.07 -0.04 2.34 2.65 1syoB1 GLU 1133 HG3 0.09 0.12 -0.02 -0.04 2.34 2.49 1syoB1 VAL 1134 H 0.07 0.53 0.29 -0.55 8.24 8.58 1syoB1 VAL 1134 HA -0.32 0.23 0.88 -0.75 4.13 4.16 1syoB1 VAL 1134 HB -0.21 -0.04 -0.12 -0.04 2.12 1.71 1syoB1 VAL 1134 HG13 0.14 0.01 -0.46 -0.04 0.97 0.62 1syoB1 VAL 1134 HG23 0.02 0.07 -0.11 -0.04 0.95 0.89 1syoB1 PRO 1135 HA 0.17 0.06 0.50 -0.51 4.44 4.67 1syoB1 PRO 1135 HB2 -0.34 -0.01 0.22 -0.04 2.28 2.11 1syoB1 PRO 1135 HB3 -0.31 0.05 0.16 -0.04 2.02 1.88 1syoB1 PRO 1135 HG2 -1.09 0.05 0.10 -0.04 2.03 1.05 1syoB1 PRO 1135 HG3 -2.08 0.09 0.07 -0.04 2.03 0.06 1syoB1 PRO 1135 HD2 -0.73 0.03 0.24 -0.04 3.68 3.18 1syoB1 PRO 1135 HD3 -1.61 0.22 0.21 -0.04 3.65 2.42 1syoB1 CYS 1136 H 0.24 0.16 0.18 -0.55 8.50 8.53 1syoB1 CYS 1136 HA -0.02 0.20 0.97 -0.75 4.58 4.98 1syoB1 CYS 1136 HB2 0.05 0.14 0.07 -0.04 2.97 3.19 1syoB1 CYS 1136 HB3 0.01 -0.16 0.16 -0.04 2.97 2.94 1syoB1 TYR 1137 H 0.12 0.39 -0.05 -0.55 8.29 8.20 1syoB1 TYR 1137 HA -0.11 0.24 0.79 -0.75 4.56 4.73 1syoB1 TYR 1137 HB2 -0.16 0.03 0.05 -0.04 3.06 2.93 1syoB1 TYR 1137 HB3 -0.07 -0.09 -0.23 -0.04 2.98 2.54 1syoB1 TYR 1137 HD2 -0.23 -0.15 -0.11 -0.04 7.15 6.63 1syoB1 TYR 1137 HE2 0.17 0.07 0.03 -0.04 6.85 7.08 1syoB1 ALA 1138 H -0.09 0.50 0.27 -0.55 8.40 8.52 1syoB1 ALA 1138 HA -0.46 0.05 0.63 -0.75 4.34 3.80 1syoB1 ALA 1138 HB3 -0.16 0.07 -0.10 -0.04 1.41 1.18 1syoB1 PHE 1139 H 0.03 0.15 0.13 -0.55 8.34 8.09 1syoB1 PHE 1139 HA 0.13 0.18 0.61 -0.75 4.62 4.79 1syoB1 PHE 1139 HB2 0.01 0.02 0.05 -0.04 3.15 3.18 1syoB1 PHE 1139 HB3 0.04 0.03 -0.07 -0.04 3.06 3.02 1syoB1 PHE 1139 HD2 0.06 -0.01 -0.38 -0.04 7.28 6.91 1syoB1 PHE 1139 HE2 0.21 0.16 -0.18 -0.04 7.38 7.53 1syoB1 PHE 1139 HZ 0.15 -0.00 0.01 -0.04 7.32 7.44 1syoB1 ASP 1140 H 0.28 0.23 0.20 -0.55 8.40 8.57 1syoB1 ASP 1140 HA 0.06 0.29 0.82 -0.75 4.63 5.05 1syoB1 ASP 1140 HB2 0.08 -0.13 0.21 -0.04 2.71 2.82 1syoB1 ASP 1140 HB3 0.12 0.20 0.06 -0.04 2.70 3.04 1syoB1 ARG 1141 H 0.04 0.00 0.15 -0.55 8.46 8.09 1syoB1 ARG 1141 HA 0.02 0.14 0.38 -0.75 4.34 4.12 1syoB1 ARG 1141 HB2 0.01 -0.03 0.09 -0.04 1.90 1.93 1syoB1 ARG 1141 HB3 -0.00 0.06 0.08 -0.04 1.80 1.89 1syoB1 ARG 1141 HG2 0.00 0.04 0.05 -0.04 1.67 1.72 1syoB1 ARG 1141 HG3 0.01 0.02 0.06 -0.04 1.67 1.73 1syoB1 ARG 1141 HD2 0.00 0.01 0.05 -0.04 3.22 3.24 1syoB1 ARG 1141 HD3 -0.00 0.05 0.03 -0.04 3.22 3.25 1syoB1 GLU 1142 H 0.04 0.01 -0.30 -0.55 8.60 7.81 1syoB1 GLU 1142 HA -0.02 0.24 0.66 -0.75 4.29 4.42 1syoB1 GLU 1142 HB2 -0.01 -0.07 0.01 -0.04 2.09 1.98 1syoB1 GLU 1142 HB3 -0.03 0.06 0.14 -0.04 1.99 2.11 1syoB1 GLU 1142 HG2 -0.02 0.07 -0.03 -0.04 2.34 2.32 1syoB1 GLU 1142 HG3 0.00 -0.10 -0.03 -0.04 2.34 2.17 1syoB1 LEU 1143 H 0.05 0.56 -0.53 -0.55 8.37 7.91 1syoB1 LEU 1143 HA 0.08 0.08 0.23 -0.75 4.35 3.97 1syoB1 LEU 1143 HB2 -0.04 0.20 -0.04 -0.04 1.64 1.72 1syoB1 LEU 1143 HB3 -0.12 -0.11 0.14 -0.04 1.64 1.51 1syoB1 LEU 1143 HG -0.07 0.08 -0.27 -0.04 1.64 1.33 1syoB1 LEU 1143 HD13 -0.14 0.00 -0.17 -0.04 0.93 0.58 1syoB1 LEU 1143 HD23 -0.14 0.02 -0.08 -0.04 0.89 0.64 1syoB1 LYS 1144 H 0.15 -0.04 -0.26 -0.55 8.42 7.72 1syoB1 LYS 1144 HA 0.12 0.16 0.82 -0.75 4.32 4.66 1syoB1 LYS 1144 HB2 0.01 -0.07 0.04 -0.04 1.87 1.81 1syoB1 LYS 1144 HB3 -0.10 -0.00 0.01 -0.04 1.79 1.66 1syoB1 LYS 1144 HG2 -0.16 0.00 -0.00 -0.04 1.46 1.26 1syoB1 LYS 1144 HG3 -0.04 0.21 -0.25 -0.04 1.46 1.34 1syoB1 LYS 1144 HD2 -0.08 -0.11 -0.04 -0.04 1.69 1.42 1syoB1 LYS 1144 HD3 -0.34 0.00 -0.01 -0.04 1.68 1.29 1syoB1 LYS 1144 HE2 -0.11 0.06 0.00 -0.04 2.99 2.90 1syoB1 LYS 1144 HE3 -0.19 0.00 0.00 -0.04 2.99 2.76 1syoB1 LYS 1145 H 0.10 0.11 0.18 -0.55 8.42 8.26 1syoB1 LYS 1145 HA -0.19 0.23 0.73 -0.75 4.32 4.34 1syoB1 LYS 1145 HB2 -0.30 0.03 0.01 -0.04 1.87 1.57 1syoB1 LYS 1145 HB3 -0.03 -0.06 0.13 -0.04 1.79 1.79 1syoB1 LYS 1145 HG2 -0.09 0.01 -0.51 -0.04 1.46 0.82 1syoB1 LYS 1145 HG3 -0.34 0.01 -0.18 -0.04 1.46 0.91 1syoB1 LYS 1145 HD2 -0.06 -0.02 -0.05 -0.04 1.69 1.51 1syoB1 LYS 1145 HD3 -0.11 -0.02 -0.13 -0.04 1.68 1.38 1syoB1 LYS 1145 HE2 -0.19 0.03 -0.10 -0.04 2.99 2.68 1syoB1 LYS 1145 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 1syoB1 HIS 1146 H 0.03 0.48 0.22 -0.55 8.41 8.59 1syoB1 HIS 1146 HA 0.00 0.38 0.79 -0.75 4.63 5.04 1syoB1 HIS 1146 HB2 -0.07 -0.06 0.24 -0.04 3.26 3.34 1syoB1 HIS 1146 HB3 -0.04 0.16 0.01 -0.04 3.20 3.29 1syoB1 HIS 1146 HD2 -0.00 0.14 0.07 -0.04 6.97 7.13 1syoB1 HIS 1146 HE1 0.06 -0.04 -0.03 -0.04 7.75 7.69 1syoB1 ASP 1147 H 0.01 0.31 0.08 -0.55 8.40 8.25 1syoB1 ASP 1147 HA 0.04 0.15 1.09 -0.75 4.63 5.16 1syoB1 ASP 1147 HB2 -0.04 -0.06 -0.12 -0.04 2.71 2.46 1syoB1 ASP 1147 HB3 -0.01 0.04 0.11 -0.04 2.70 2.80 1syoB1 LEU 1148 H -0.07 0.76 0.34 -0.55 8.37 8.85 1syoB1 LEU 1148 HA -0.17 0.22 0.85 -0.75 4.35 4.50 1syoB1 LEU 1148 HB2 -0.30 0.08 0.04 -0.04 1.64 1.42 1syoB1 LEU 1148 HB3 -0.40 -0.08 0.06 -0.04 1.64 1.18 1syoB1 LEU 1148 HG -0.48 -0.05 -0.21 -0.04 1.64 0.86 1syoB1 LEU 1148 HD13 -0.18 0.04 -0.51 -0.04 0.93 0.24 1syoB1 LEU 1148 HD23 -1.23 -0.01 -0.14 -0.04 0.89 -0.52 1syoB1 ASN 1149 H -0.07 0.09 -0.14 -0.55 8.53 7.87 1syoB1 ASN 1149 HA -0.05 0.03 0.35 -0.75 4.76 4.34 1syoB1 ASN 1149 HB2 -0.05 0.04 0.02 -0.04 2.88 2.84 1syoB1 ASN 1149 HB3 -0.03 0.01 -0.06 -0.04 2.79 2.67 1syoB1 ASN 1149 HD21 -0.01 0.04 -0.12 -0.04 7.03 6.90 1syoB1 ASN 1149 HD22 -0.06 0.01 -0.04 -0.04 7.74 7.61 1syoB1 PRO 1150 HA -0.11 0.07 0.33 -0.51 4.44 4.22 1syoB1 PRO 1150 HB2 -0.88 0.02 -0.12 -0.04 2.28 1.25 1syoB1 PRO 1150 HB3 -0.20 0.02 -0.02 -0.04 2.02 1.79 1syoB1 PRO 1150 HG2 0.07 0.08 -0.05 -0.04 2.03 2.09 1syoB1 PRO 1150 HG3 -0.03 0.01 -0.06 -0.04 2.03 1.90 1syoB1 PRO 1150 HD2 -0.13 0.20 -0.33 -0.04 3.68 3.38 1syoB1 PRO 1150 HD3 -0.07 -0.02 -0.10 -0.04 3.65 3.42 1syoB1 LEU 1151 H -0.28 0.58 -0.38 -0.55 8.37 7.74 1syoB1 LEU 1151 HA -0.08 0.13 0.65 -0.75 4.35 4.29 1syoB1 LEU 1151 HB2 -0.31 0.11 0.01 -0.04 1.64 1.42 1syoB1 LEU 1151 HB3 -0.23 -0.06 0.01 -0.04 1.64 1.31 1syoB1 LEU 1151 HG -0.63 -0.02 -0.10 -0.04 1.64 0.85 1syoB1 LEU 1151 HD13 -0.77 -0.03 -0.09 -0.04 0.93 0.01 1syoB1 LEU 1151 HD23 -0.15 0.00 -0.10 -0.04 0.89 0.60 1syoB1 ILE 1152 H -0.06 0.35 -0.18 -0.55 8.25 7.81 1syoB1 ILE 1152 HA 0.10 -0.08 0.47 -0.75 4.18 3.91 1syoB1 ILE 1152 HB -0.00 0.09 0.14 -0.04 1.89 2.07 1syoB1 ILE 1152 HG12 0.03 0.25 -0.04 -0.04 1.49 1.68 1syoB1 ILE 1152 HG13 -0.04 0.01 -0.02 -0.04 1.21 1.12 1syoB1 ILE 1152 HG23 0.04 -0.00 -0.13 -0.04 0.93 0.79 1syoB1 ILE 1152 HD13 0.03 -0.05 0.03 -0.04 0.88 0.84 1syoB1 LYS 1153 H 0.12 0.03 0.23 -0.55 8.42 8.25 1syoB1 LYS 1153 HA -0.03 0.16 0.80 -0.75 4.32 4.49 1syoB1 LYS 1153 HB2 0.02 -0.01 0.07 -0.04 1.87 1.90 1syoB1 LYS 1153 HB3 -0.09 -0.07 -0.29 -0.04 1.79 1.29 1syoB1 LYS 1153 HG2 -0.15 0.03 -0.11 -0.04 1.46 1.19 1syoB1 LYS 1153 HG3 -0.10 0.11 -0.09 -0.04 1.46 1.35 1syoB1 LYS 1153 HD2 -0.59 -0.11 -0.29 -0.04 1.69 0.66 1syoB1 LYS 1153 HD3 -0.28 -0.01 -0.38 -0.04 1.68 0.96 1syoB1 LYS 1153 HE2 -0.35 0.01 -0.08 -0.04 2.99 2.53 1syoB1 LYS 1153 HE3 -1.27 -0.01 -0.13 -0.04 2.99 1.55 1syoB1 THR 1154 H -0.06 0.15 0.13 -0.55 8.28 7.94 1syoB1 THR 1154 HA -0.04 0.21 0.83 -0.75 4.39 4.64 1syoB1 THR 1154 HB -0.11 0.03 0.12 -0.04 4.32 4.31 1syoB1 THR 1154 HG23 -0.10 0.02 -0.07 -0.04 1.22 1.03 1syoB1 SER 1155 H -0.08 0.06 -0.09 -0.55 8.46 7.80 1syoB1 SER 1155 HA -0.06 0.14 0.73 -0.75 4.49 4.54 1syoB1 SER 1155 HB2 -0.07 0.05 -0.22 -0.04 3.95 3.68 1syoB1 SER 1155 HB3 -0.09 -0.03 0.08 -0.04 3.93 3.85 1syoB1 GLY 1156 H -0.07 0.33 0.07 -0.55 8.43 8.21 1syoB1 GLY 1156 HA2 -0.13 0.02 0.26 -0.51 4.01 3.65 1syoB1 GLY 1156 HA3 -0.16 0.11 0.87 -0.51 4.01 4.31 1syoB1 ALA 1157 H -0.25 0.19 0.16 -0.55 8.40 7.96 1syoB1 ALA 1157 HA -0.09 0.16 0.56 -0.75 4.34 4.22 1syoB1 ALA 1157 HB3 -0.06 0.02 -0.23 -0.04 1.41 1.11 1syoB1 TYR 1158 H 0.26 0.77 0.34 -0.55 8.29 9.11 1syoB1 TYR 1158 HA -0.04 0.13 0.96 -0.75 4.56 4.85 1syoB1 TYR 1158 HB2 0.02 0.00 0.08 -0.04 3.06 3.12 1syoB1 TYR 1158 HB3 -0.16 0.06 0.01 -0.04 2.98 2.85 1syoB1 TYR 1158 HD2 0.12 0.09 0.05 -0.04 7.15 7.37 1syoB1 TYR 1158 HE2 0.25 -0.01 -0.00 -0.04 6.85 7.04 1syoB1 LEU 1159 H 0.06 0.13 0.18 -0.55 8.37 8.19 1syoB1 LEU 1159 HA 0.37 0.17 0.67 -0.75 4.35 4.81 1syoB1 LEU 1159 HB2 0.11 -0.05 0.07 -0.04 1.64 1.74 1syoB1 LEU 1159 HB3 0.05 -0.02 0.13 -0.04 1.64 1.76 1syoB1 LEU 1159 HG 0.11 -0.04 -0.03 -0.04 1.64 1.64 1syoB1 LEU 1159 HD13 0.03 0.03 -0.32 -0.04 0.93 0.63 1syoB1 LEU 1159 HD23 0.34 0.01 -0.01 -0.04 0.89 1.19 1syoB1 VAL 1160 H 0.07 0.65 0.34 -0.55 8.24 8.75 1syoB1 VAL 1160 HA -0.12 0.23 0.82 -0.75 4.13 4.31 1syoB1 VAL 1160 HB -0.03 -0.13 0.04 -0.04 2.12 1.95 1syoB1 VAL 1160 HG13 -0.06 0.02 -0.26 -0.04 0.97 0.63 1syoB1 VAL 1160 HG23 -0.00 0.06 -0.21 -0.04 0.95 0.75 1syoB1 ASP 1161 H -0.11 0.63 0.28 -0.55 8.40 8.65 1syoB1 ASP 1161 HA -0.04 0.01 0.47 -0.75 4.63 4.32 1syoB1 ASP 1161 HB2 -0.08 0.08 0.08 -0.04 2.71 2.74 1syoB1 ASP 1161 HB3 -0.06 -0.11 0.16 -0.04 2.70 2.65 1syoB1 ASP 1162 H -0.02 0.17 0.19 -0.55 8.40 8.18 1syoB1 ASP 1162 HA -0.01 0.18 0.76 -0.75 4.63 4.81 1syoB1 ASP 1162 HB2 -0.00 -0.23 0.21 -0.04 2.71 2.65 1syoB1 ASP 1162 HB3 -0.01 0.06 -0.13 -0.04 2.70 2.59 1syoB1 SER 1163 H -0.01 -0.03 0.17 -0.55 8.46 8.04 1syoB1 SER 1163 HA -0.02 0.23 0.88 -0.75 4.49 4.83 1syoB1 SER 1163 HB2 -0.02 0.02 0.05 -0.04 3.95 3.96 1syoB1 SER 1163 HB3 -0.02 0.06 -0.05 -0.04 3.93 3.88 1syoB1 ASP 1164 H -0.02 -0.01 0.18 -0.55 8.40 8.01 1syoB1 ASP 1164 HA -0.03 0.10 0.43 -0.75 4.63 4.38 1syoB1 ASP 1164 HB2 -0.04 0.03 0.20 -0.04 2.71 2.86 1syoB1 ASP 1164 HB3 -0.04 0.04 0.21 -0.04 2.70 2.88 1syoB1 PRO 1165 HA -0.02 0.16 0.56 -0.51 4.44 4.64 1syoB1 PRO 1165 HB2 -0.01 -0.03 0.05 -0.04 2.28 2.24 1syoB1 PRO 1165 HB3 -0.01 0.02 0.16 -0.04 2.02 2.15 1syoB1 PRO 1165 HG2 -0.01 -0.02 0.10 -0.04 2.03 2.05 1syoB1 PRO 1165 HG3 -0.01 0.19 0.13 -0.04 2.03 2.29 1syoB1 PRO 1165 HD2 -0.02 0.02 0.22 -0.04 3.68 3.86 1syoB1 PRO 1165 HD3 -0.02 0.11 0.15 -0.04 3.65 3.85 1syoB1 ASP 1166 H -0.03 -0.06 -0.37 -0.55 8.40 7.40 1syoB1 ASP 1166 HA -0.02 0.17 0.79 -0.75 4.63 4.82 1syoB1 ASP 1166 HB2 -0.03 -0.04 0.07 -0.04 2.71 2.67 1syoB1 ASP 1166 HB3 -0.03 0.01 -0.05 -0.04 2.70 2.59 1syoB1 THR 1167 H -0.04 0.11 -0.12 -0.55 8.28 7.68 1syoB1 THR 1167 HA -0.05 0.50 1.19 -0.75 4.39 5.28 1syoB1 THR 1167 HB -0.07 -0.00 -0.10 -0.04 4.32 4.11 1syoB1 THR 1167 HG23 -0.09 -0.02 -0.21 -0.04 1.22 0.86 1syoB1 SER 1168 H -0.17 0.44 0.26 -0.55 8.46 8.45 1syoB1 SER 1168 HA -0.16 0.18 0.86 -0.75 4.49 4.62 1syoB1 SER 1168 HB2 -0.41 -0.04 0.10 -0.04 3.95 3.56 1syoB1 SER 1168 HB3 -0.58 -0.00 -0.07 -0.04 3.93 3.24 1syoB1 LEU 1169 H -0.16 0.25 0.13 -0.55 8.37 8.04 1syoB1 LEU 1169 HA -0.25 0.18 0.85 -0.75 4.35 4.38 1syoB1 LEU 1169 HB2 -0.09 -0.00 0.05 -0.04 1.64 1.55 1syoB1 LEU 1169 HB3 -0.07 -0.01 -0.01 -0.04 1.64 1.51 1syoB1 LEU 1169 HG -0.31 -0.04 -0.12 -0.04 1.64 1.13 1syoB1 LEU 1169 HD13 -0.09 -0.00 -0.15 -0.04 0.93 0.64 1syoB1 LEU 1169 HD23 -0.28 0.03 -0.20 -0.04 0.89 0.40 1syoB1 PHE 1170 H -0.09 0.67 0.31 -0.55 8.34 8.67 1syoB1 PHE 1170 HA 0.01 0.44 1.01 -0.75 4.62 5.33 1syoB1 PHE 1170 HB2 -0.01 0.01 0.10 -0.04 3.15 3.21 1syoB1 PHE 1170 HB3 0.00 -0.03 -0.13 -0.04 3.06 2.86 1syoB1 PHE 1170 HD2 -0.01 0.14 -0.22 -0.04 7.28 7.14 1syoB1 PHE 1170 HE2 -0.02 -0.03 -0.33 -0.04 7.38 6.97 1syoB1 PHE 1170 HZ -0.02 -0.04 -0.15 -0.04 7.32 7.07 1syoB1 ILE 1171 H 0.23 0.49 0.31 -0.55 8.25 8.73 1syoB1 ILE 1171 HA 0.13 0.35 1.03 -0.75 4.18 4.92 1syoB1 ILE 1171 HB 0.28 0.16 0.09 -0.04 1.89 2.38 1syoB1 ILE 1171 HG12 0.12 0.01 -0.11 -0.04 1.49 1.46 1syoB1 ILE 1171 HG13 0.27 -0.05 -0.19 -0.04 1.21 1.20 1syoB1 ILE 1171 HG23 0.11 -0.04 -0.26 -0.04 0.93 0.70 1syoB1 ILE 1171 HD13 0.16 -0.01 -0.17 -0.04 0.88 0.82 1syoB1 ASN 1172 H 0.16 0.57 0.31 -0.55 8.53 9.02 1syoB1 ASN 1172 HA 0.38 0.08 0.83 -0.75 4.76 5.30 1syoB1 ASN 1172 HB2 0.09 -0.06 -0.08 -0.04 2.88 2.79 1syoB1 ASN 1172 HB3 0.09 0.28 -0.07 -0.04 2.79 3.06 1syoB1 ASN 1172 HD21 0.05 0.26 0.11 -0.04 7.03 7.42 1syoB1 ASN 1172 HD22 0.05 0.43 -0.30 -0.04 7.74 7.87 1syoB1 VAL 1173 H 0.25 0.15 0.16 -0.55 8.24 8.25 1syoB1 VAL 1173 HA 0.32 0.20 1.04 -0.75 4.13 4.94 1syoB1 VAL 1173 HB 0.08 -0.01 -0.11 -0.04 2.12 2.05 1syoB1 VAL 1173 HG13 -0.08 0.00 -0.17 -0.04 0.97 0.68 1syoB1 VAL 1173 HG23 0.14 0.01 -0.22 -0.04 0.95 0.84 1syoB1 CYS 1174 H 0.29 0.19 0.09 -0.55 8.50 8.52 1syoB1 CYS 1174 HA 0.20 0.05 0.28 -0.75 4.58 4.35 1syoB1 CYS 1174 HB2 0.06 0.12 -0.24 -0.04 2.97 2.87 1syoB1 CYS 1174 HB3 0.07 0.07 0.17 -0.04 2.97 3.24 1syoB1 ARG 1175 H 0.17 0.17 -0.58 -0.55 8.46 7.67 1syoB1 ARG 1175 HA 0.10 0.33 0.66 -0.75 4.34 4.67 1syoB1 ARG 1175 HB2 0.06 -0.15 0.10 -0.04 1.90 1.88 1syoB1 ARG 1175 HB3 0.09 -0.00 -0.04 -0.04 1.80 1.80 1syoB1 ARG 1175 HG2 0.06 -0.08 -0.07 -0.04 1.67 1.54 1syoB1 ARG 1175 HG3 0.08 -0.04 -0.13 -0.04 1.67 1.55 1syoB1 ARG 1175 HD2 0.04 0.16 -0.01 -0.04 3.22 3.37 1syoB1 ARG 1175 HD3 0.04 -0.12 -0.02 -0.04 3.22 3.08 1syoB1 ASP 1176 H 0.04 0.11 0.15 -0.55 8.40 8.15 1syoB1 ASP 1176 HA -0.04 0.10 0.18 -0.75 4.63 4.12 1syoB1 ASP 1176 HB2 -0.00 -0.03 -0.16 -0.04 2.71 2.48 1syoB1 ASP 1176 HB3 0.01 0.17 -0.02 -0.04 2.70 2.82 1syoB1 ILE 1177 H -0.01 0.82 0.20 -0.55 8.25 8.71 1syoB1 ILE 1177 HA 0.01 0.17 0.56 -0.75 4.18 4.17 1syoB1 ILE 1177 HB 0.01 0.02 -0.05 -0.04 1.89 1.83 1syoB1 ILE 1177 HG12 0.05 0.02 -0.28 -0.04 1.49 1.23 1syoB1 ILE 1177 HG13 0.00 0.04 -0.11 -0.04 1.21 1.10 1syoB1 ILE 1177 HG23 -0.02 0.03 -0.52 -0.04 0.93 0.37 1syoB1 ILE 1177 HD13 0.08 -0.01 -0.49 -0.04 0.88 0.42 1syoB1 GLU 1178 H -0.02 0.29 0.01 -0.55 8.60 8.34 1syoB1 GLU 1178 HA -0.01 0.01 0.48 -0.75 4.29 4.02 1syoB1 GLU 1178 HB2 -0.02 0.18 0.06 -0.04 2.09 2.27 1syoB1 GLU 1178 HB3 -0.03 -0.20 0.15 -0.04 1.99 1.87 1syoB1 GLU 1178 HG2 -0.00 0.05 0.05 -0.04 2.34 2.39 1syoB1 GLU 1178 HG3 -0.02 0.14 0.09 -0.04 2.34 2.52 1syoB1 VAL 1179 H -0.01 0.20 0.17 -0.55 8.24 8.05 1syoB1 VAL 1179 HA -0.03 0.07 0.42 -0.75 4.13 3.83 1syoB1 VAL 1179 HB -0.01 0.17 0.02 -0.04 2.12 2.25 1syoB1 VAL 1179 HG13 0.00 0.08 -0.26 -0.04 0.97 0.75 1syoB1 VAL 1179 HG23 -0.01 0.01 -0.05 -0.04 0.95 0.87 1syoB1 LEU 1180 H -0.01 0.02 -0.09 -0.55 8.37 7.74 1syoB1 LEU 1180 HA -0.01 0.16 0.44 -0.75 4.35 4.18 1syoB1 LEU 1180 HB2 -0.01 -0.06 0.10 -0.04 1.64 1.63 1syoB1 LEU 1180 HB3 -0.01 0.04 0.00 -0.04 1.64 1.64 1syoB1 LEU 1180 HG -0.00 -0.10 0.09 -0.04 1.64 1.59 1syoB1 LEU 1180 HD13 0.00 0.01 0.02 -0.04 0.93 0.92 1syoB1 LEU 1180 HD23 -0.00 0.03 0.01 -0.04 0.89 0.88 1syoB1 ARG 1181 H -0.02 0.08 -0.14 -0.55 8.46 7.82 1syoB1 ARG 1181 HA -0.03 0.26 0.73 -0.75 4.34 4.54 1syoB1 ARG 1181 HB2 -0.03 -0.01 0.01 -0.04 1.90 1.84 1syoB1 ARG 1181 HB3 -0.03 0.01 0.11 -0.04 1.80 1.85 1syoB1 ARG 1181 HG2 -0.01 -0.01 -0.03 -0.04 1.67 1.58 1syoB1 ARG 1181 HG3 -0.01 0.06 -0.13 -0.04 1.67 1.55 1syoB1 ARG 1181 HD2 -0.00 0.02 -0.07 -0.04 3.22 3.12 1syoB1 ARG 1181 HD3 -0.01 -0.18 -0.04 -0.04 3.22 2.95 1syoB1 ALA 1182 H -0.04 0.21 -0.77 -0.55 8.40 7.26 1syoB1 ALA 1182 HA -0.08 -0.06 0.17 -0.75 4.34 3.61 1syoB1 ALA 1182 HB3 -0.09 0.02 -0.03 -0.04 1.41 1.27 1syoB1 SER 1183 H -0.11 0.13 0.07 -0.55 8.46 8.00 1syoB1 SER 1183 HA -0.08 0.12 0.36 -0.75 4.49 4.14 1syoB1 SER 1183 HB2 -0.10 -0.01 0.07 -0.04 3.95 3.86 1syoB1 SER 1183 HB3 -0.11 0.05 0.12 -0.04 3.93 3.95 1syoB1 SER 1184 H -0.14 -0.03 -0.33 -0.55 8.46 7.41 1syoB1 SER 1184 HA -0.08 0.27 0.86 -0.75 4.49 4.78 1syoB1 SER 1184 HB2 -0.18 0.09 -0.00 -0.04 3.95 3.82 1syoB1 SER 1184 HB3 -0.26 -0.07 0.01 -0.04 3.93 3.57 1syoB1 PRO 1185 HA -0.02 0.20 0.43 -0.51 4.44 4.53 1syoB1 PRO 1185 HB2 -0.00 0.05 -0.02 -0.04 2.28 2.27 1syoB1 PRO 1185 HB3 -0.01 0.08 0.07 -0.04 2.02 2.12 1syoB1 PRO 1185 HG2 0.01 -0.13 0.12 -0.04 2.03 1.99 1syoB1 PRO 1185 HG3 -0.01 0.09 0.08 -0.04 2.03 2.15 1syoB1 PRO 1185 HD2 -0.03 0.04 0.22 -0.04 3.68 3.87 1syoB1 PRO 1185 HD3 -0.03 0.26 0.20 -0.04 3.65 4.03 1syoB1 GLN 1186 H 0.03 0.13 -0.08 -0.55 8.47 8.00 1syoB1 GLN 1186 HA 0.08 0.10 0.28 -0.75 4.36 4.07 1syoB1 GLN 1186 HB2 0.27 -0.07 -0.02 -0.04 2.15 2.29 1syoB1 GLN 1186 HB3 0.34 0.04 -0.14 -0.04 2.02 2.22 1syoB1 GLN 1186 HG2 0.08 0.03 -0.04 -0.04 2.40 2.43 1syoB1 GLN 1186 HG3 0.09 -0.02 0.01 -0.04 2.39 2.43 1syoB1 GLN 1186 HE21 0.09 0.04 -0.06 -0.04 6.97 7.01 1syoB1 GLN 1186 HE22 0.09 -0.01 -0.03 -0.04 7.69 7.70 1syoB1 VAL 1187 H -0.09 0.02 -0.40 -0.55 8.24 7.22 1syoB1 VAL 1187 HA 0.11 0.04 0.20 -0.75 4.13 3.73 1syoB1 VAL 1187 HB -0.19 0.10 -0.06 -0.04 2.12 1.93 1syoB1 VAL 1187 HG13 -0.12 -0.01 -0.29 -0.04 0.97 0.51 1syoB1 VAL 1187 HG23 -0.90 -0.03 -0.11 -0.04 0.95 -0.13 1syoB1 ARG 1188 H -0.03 0.31 -0.44 -0.55 8.46 7.74 1syoB1 ARG 1188 HA -0.02 0.16 0.38 -0.75 4.34 4.11 1syoB1 ARG 1188 HB2 -0.02 0.07 0.18 -0.04 1.90 2.08 1syoB1 ARG 1188 HB3 -0.01 -0.05 -0.03 -0.04 1.80 1.67 1syoB1 ARG 1188 HG2 -0.02 -0.11 0.07 -0.04 1.67 1.58 1syoB1 ARG 1188 HG3 -0.02 0.40 0.21 -0.04 1.67 2.22 1syoB1 ARG 1188 HD2 -0.04 -0.00 -0.07 -0.04 3.22 3.07 1syoB1 ARG 1188 HD3 -0.03 -0.09 -0.05 -0.04 3.22 3.01 1syoB1 VAL 1189 H 0.03 0.41 -0.58 -0.55 8.24 7.54 1syoB1 VAL 1189 HA -0.01 0.04 0.43 -0.75 4.13 3.84 1syoB1 VAL 1189 HB 0.03 0.13 0.01 -0.04 2.12 2.25 1syoB1 VAL 1189 HG13 -0.04 -0.04 0.00 -0.04 0.97 0.86 1syoB1 VAL 1189 HG23 0.01 0.00 -0.01 -0.04 0.95 0.90 1syoB1 CYS 1190 H 0.04 0.70 -0.34 -0.55 8.50 8.36 1syoB1 CYS 1190 HA 0.01 -0.00 0.34 -0.75 4.58 4.18 1syoB1 CYS 1190 HB2 0.04 0.09 -0.05 -0.04 2.97 3.01 1syoB1 CYS 1190 HB3 0.05 -0.02 -0.18 -0.04 2.97 2.78 1syoB1 PRO 1191 HA -0.01 0.05 0.48 -0.51 4.44 4.46 1syoB1 PRO 1191 HB2 0.01 -0.05 0.09 -0.04 2.28 2.29 1syoB1 PRO 1191 HB3 -0.00 0.04 0.08 -0.04 2.02 2.10 1syoB1 PRO 1191 HG2 0.01 -0.14 -0.12 -0.04 2.03 1.74 1syoB1 PRO 1191 HG3 -0.04 0.18 -0.03 -0.04 2.03 2.10 1syoB1 PRO 1191 HD2 0.02 0.03 -0.05 -0.04 3.68 3.64 1syoB1 PRO 1191 HD3 -0.01 0.11 -0.02 -0.04 3.65 3.68 1syoB1 THR 1192 H 0.00 0.14 0.20 -0.55 8.28 8.07 1syoB1 THR 1192 HA 0.00 0.05 0.36 -0.75 4.39 4.05 1syoB1 THR 1192 HB 0.01 -0.03 0.07 -0.04 4.32 4.33 1syoB1 THR 1192 HG23 0.00 0.00 0.11 -0.04 1.22 1.29 1syoB1 GLY 1193 H 0.01 0.13 0.14 -0.55 8.43 8.16 1syoB1 GLY 1193 HA2 0.01 -0.06 0.36 -0.51 4.01 3.81 1syoB1 GLY 1193 HA3 0.01 0.18 0.65 -0.51 4.01 4.34 1syoB1 ALA 1194 H -0.00 0.52 -0.33 -0.55 8.40 8.05 1syoB1 ALA 1194 HA -0.03 0.05 0.51 -0.75 4.34 4.11 1syoB1 ALA 1194 HB3 -0.00 0.03 0.02 -0.04 1.41 1.42 1syoB1 ALA 1195 H -0.17 0.50 0.39 -0.55 8.40 8.57 1syoB1 ALA 1195 HA -0.13 0.08 0.79 -0.75 4.34 4.32 1syoB1 ALA 1195 HB3 -0.68 0.02 -0.08 -0.04 1.41 0.63 1syoB1 ALA 1196 H -0.12 0.17 0.15 -0.55 8.40 8.04 1syoB1 ALA 1196 HA 0.00 0.33 0.88 -0.75 4.34 4.80 1syoB1 ALA 1196 HB3 -0.02 -0.03 -0.14 -0.04 1.41 1.18 1syoB1 CYS 1197 H 0.04 0.86 0.27 -0.55 8.50 9.13 1syoB1 CYS 1197 HA 0.02 0.29 1.13 -0.75 4.58 5.27 1syoB1 CYS 1197 HB2 0.06 0.02 -0.21 -0.04 2.97 2.80 1syoB1 CYS 1197 HB3 0.17 -0.04 -0.00 -0.04 2.97 3.06 1syoB1 LEU 1198 H 0.06 0.57 0.30 -0.55 8.37 8.75 1syoB1 LEU 1198 HA -0.16 0.29 1.03 -0.75 4.35 4.76 1syoB1 LEU 1198 HB2 -0.11 -0.03 -0.04 -0.04 1.64 1.42 1syoB1 LEU 1198 HB3 0.24 -0.00 0.12 -0.04 1.64 1.96 1syoB1 LEU 1198 HG 0.08 0.03 -0.28 -0.04 1.64 1.43 1syoB1 LEU 1198 HD13 -0.15 0.04 -0.21 -0.04 0.93 0.57 1syoB1 LEU 1198 HD23 0.18 -0.01 -0.11 -0.04 0.89 0.91 1syoB1 VAL 1199 H -0.22 0.55 0.31 -0.55 8.24 8.32 1syoB1 VAL 1199 HA -0.02 0.29 0.85 -0.75 4.13 4.50 1syoB1 VAL 1199 HB -0.26 -0.01 0.09 -0.04 2.12 1.90 1syoB1 VAL 1199 HG13 -0.03 -0.02 -0.30 -0.04 0.97 0.58 1syoB1 VAL 1199 HG23 -0.02 0.01 -0.29 -0.04 0.95 0.61 1syoB1 ARG 1200 H 0.06 0.58 0.16 -0.55 8.46 8.71 1syoB1 ARG 1200 HA 0.01 0.37 0.86 -0.75 4.34 4.82 1syoB1 ARG 1200 HB2 0.04 -0.02 -0.19 -0.04 1.90 1.68 1syoB1 ARG 1200 HB3 0.25 0.06 -0.03 -0.04 1.80 2.04 1syoB1 ARG 1200 HG2 0.06 0.01 -0.25 -0.04 1.67 1.45 1syoB1 ARG 1200 HG3 0.00 0.00 -0.09 -0.04 1.67 1.54 1syoB1 ARG 1200 HD2 0.12 0.03 -0.11 -0.04 3.22 3.22 1syoB1 ARG 1200 HD3 -0.00 -0.03 -0.08 -0.04 3.22 3.06 1syoB1 GLY 1201 H 0.02 0.29 0.19 -0.55 8.43 8.38 1syoB1 GLY 1201 HA2 0.02 0.03 0.35 -0.51 4.01 3.90 1syoB1 GLY 1201 HA3 0.04 0.06 0.39 -0.51 4.01 4.00 1syoB1 ASP 1202 H 0.00 0.01 -0.52 -0.55 8.40 7.34 1syoB1 ASP 1202 HA -0.02 -0.03 0.13 -0.75 4.63 3.96 1syoB1 ASP 1202 HB2 -0.00 -0.08 -0.15 -0.04 2.71 2.43 1syoB1 ASP 1202 HB3 -0.01 0.21 0.06 -0.04 2.70 2.92 1syoB1 ARG 1203 H -0.02 0.73 -0.27 -0.55 8.46 8.35 1syoB1 ARG 1203 HA -0.20 0.15 0.91 -0.75 4.34 4.45 1syoB1 ARG 1203 HB2 0.00 0.03 0.15 -0.04 1.90 2.04 1syoB1 ARG 1203 HB3 -0.48 -0.01 0.01 -0.04 1.80 1.27 1syoB1 ARG 1203 HG2 -0.06 0.02 -0.06 -0.04 1.67 1.54 1syoB1 ARG 1203 HG3 0.01 0.18 -0.12 -0.04 1.67 1.70 1syoB1 ARG 1203 HD2 0.19 -0.05 -0.01 -0.04 3.22 3.31 1syoB1 ARG 1203 HD3 0.06 -0.02 -0.00 -0.04 3.22 3.21 1syoB1 ALA 1204 H -0.25 0.23 0.07 -0.55 8.40 7.90 1syoB1 ALA 1204 HA -0.14 0.21 0.76 -0.75 4.34 4.42 1syoB1 ALA 1204 HB3 -0.07 0.02 -0.13 -0.04 1.41 1.19 1syoB1 PHE 1205 H 0.12 0.53 0.34 -0.55 8.34 8.78 1syoB1 PHE 1205 HA 0.01 0.20 1.00 -0.75 4.62 5.08 1syoB1 PHE 1205 HB2 0.08 -0.09 0.03 -0.04 3.15 3.13 1syoB1 PHE 1205 HB3 -0.01 0.03 -0.02 -0.04 3.06 3.02 1syoB1 PHE 1205 HD2 0.06 0.05 -0.01 -0.04 7.28 7.34 1syoB1 PHE 1205 HE2 0.10 -0.03 -0.04 -0.04 7.38 7.36 1syoB1 PHE 1205 HZ 0.12 -0.03 -0.06 -0.04 7.32 7.31 1syoB1 ASP 1206 H 0.13 0.20 0.16 -0.55 8.40 8.34 1syoB1 ASP 1206 HA 0.04 0.17 0.77 -0.75 4.63 4.85 1syoB1 ASP 1206 HB2 0.03 0.07 0.13 -0.04 2.71 2.90 1syoB1 ASP 1206 HB3 0.05 -0.01 0.22 -0.04 2.70 2.92 1syoB1 VAL 1207 H 0.02 0.58 0.23 -0.55 8.24 8.53 1syoB1 VAL 1207 HA 0.07 0.22 0.89 -0.75 4.13 4.56 1syoB1 VAL 1207 HB 0.03 -0.03 -0.14 -0.04 2.12 1.94 1syoB1 VAL 1207 HG13 -0.20 0.02 -0.33 -0.04 0.97 0.42 1syoB1 VAL 1207 HG23 0.19 -0.01 0.03 -0.04 0.95 1.12 1syoB1 GLY 1208 H 0.02 0.09 -0.21 -0.55 8.43 7.78 1syoB1 GLY 1208 HA2 0.09 0.06 -0.08 -0.51 4.01 3.58 1syoB1 GLY 1208 HA3 0.11 0.07 0.24 -0.51 4.01 3.93 1syoB1 ARG 1209 H 0.08 0.67 0.13 -0.55 8.46 8.78 1syoB1 ARG 1209 HA -0.12 0.03 0.96 -0.75 4.34 4.46 1syoB1 ARG 1209 HB2 0.05 0.13 0.12 -0.04 1.90 2.16 1syoB1 ARG 1209 HB3 0.03 0.14 0.10 -0.04 1.80 2.03 1syoB1 ARG 1209 HG2 -0.01 0.19 -0.11 -0.04 1.67 1.70 1syoB1 ARG 1209 HG3 0.00 -0.26 -0.29 -0.04 1.67 1.08 1syoB1 ARG 1209 HD2 0.02 -0.07 -0.07 -0.04 3.22 3.06 1syoB1 ARG 1209 HD3 0.03 0.06 0.01 -0.04 3.22 3.28 1syoB1 PRO 1210 HA 0.48 0.05 0.53 -0.51 4.44 4.98 1syoB1 PRO 1210 HB2 0.19 0.09 -0.26 -0.04 2.28 2.25 1syoB1 PRO 1210 HB3 0.26 -0.06 -0.19 -0.04 2.02 1.99 1syoB1 PRO 1210 HG2 0.09 0.03 0.03 -0.04 2.03 2.14 1syoB1 PRO 1210 HG3 0.06 0.14 -0.04 -0.04 2.03 2.15 1syoB1 PRO 1210 HD2 0.00 0.18 0.22 -0.04 3.68 4.03 1syoB1 PRO 1210 HD3 -0.13 0.07 0.03 -0.04 3.65 3.57 1syoB1 GLN 1211 H 0.20 0.20 0.19 -0.55 8.47 8.51 1syoB1 GLN 1211 HA 0.13 0.21 0.93 -0.75 4.36 4.87 1syoB1 GLN 1211 HB2 0.10 0.03 -0.04 -0.04 2.15 2.20 1syoB1 GLN 1211 HB3 0.10 -0.02 0.20 -0.04 2.02 2.27 1syoB1 GLN 1211 HG2 0.07 0.02 -0.14 -0.04 2.40 2.31 1syoB1 GLN 1211 HG3 0.07 0.01 -0.05 -0.04 2.39 2.38 1syoB1 GLN 1211 HE21 0.03 -0.02 -0.02 -0.04 6.97 6.92 1syoB1 GLN 1211 HE22 0.03 -0.00 -0.02 -0.04 7.69 7.66 1syoB1 GLU 1212 H 0.08 0.09 0.21 -0.55 8.60 8.43 1syoB1 GLU 1212 HA 0.19 0.19 0.79 -0.75 4.29 4.71 1syoB1 GLU 1212 HB2 0.05 -0.02 0.18 -0.04 2.09 2.26 1syoB1 GLU 1212 HB3 0.05 -0.03 0.10 -0.04 1.99 2.07 1syoB1 GLU 1212 HG2 0.03 -0.08 0.12 -0.04 2.34 2.36 1syoB1 GLU 1212 HG3 0.01 0.28 -0.09 -0.04 2.34 2.49 1syoB1 GLY 1213 H 0.06 0.07 0.19 -0.55 8.43 8.21 1syoB1 GLY 1213 HA2 -0.10 0.08 0.50 -0.51 4.01 3.99 1syoB1 GLY 1213 HA3 -0.15 0.02 0.46 -0.51 4.01 3.83 1syoB1 LEU 1214 H -0.10 0.55 0.30 -0.55 8.37 8.56 1syoB1 LEU 1214 HA -0.07 0.03 0.49 -0.75 4.35 4.04 1syoB1 LEU 1214 HB2 -0.09 0.08 0.24 -0.04 1.64 1.83 1syoB1 LEU 1214 HB3 -0.13 0.03 -0.15 -0.04 1.64 1.36 1syoB1 LEU 1214 HG -0.19 -0.05 -0.07 -0.04 1.64 1.29 1syoB1 LEU 1214 HD13 -0.16 -0.02 -0.39 -0.04 0.93 0.31 1syoB1 LEU 1214 HD23 -0.15 0.01 -0.14 -0.04 0.89 0.57 1syoB1 LYS 1215 H -0.04 0.55 0.40 -0.55 8.42 8.77 1syoB1 LYS 1215 HA -0.07 0.21 1.04 -0.75 4.32 4.74 1syoB1 LYS 1215 HB2 -0.03 0.01 0.17 -0.04 1.87 1.98 1syoB1 LYS 1215 HB3 -0.03 -0.02 -0.04 -0.04 1.79 1.65 1syoB1 LYS 1215 HG2 -0.04 0.01 -0.05 -0.04 1.46 1.34 1syoB1 LYS 1215 HG3 -0.04 0.22 -0.08 -0.04 1.46 1.52 1syoB1 LYS 1215 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.57 1syoB1 LYS 1215 HD3 -0.02 -0.01 -0.02 -0.04 1.68 1.59 1syoB1 LYS 1215 HE2 -0.02 0.04 -0.01 -0.04 2.99 2.95 1syoB1 LYS 1215 HE3 -0.01 -0.05 -0.05 -0.04 2.99 2.84 1syoB1 LEU 1216 H -0.07 0.22 0.14 -0.55 8.37 8.11 1syoB1 LEU 1216 HA -0.09 0.21 0.91 -0.75 4.35 4.62 1syoB1 LEU 1216 HB2 -0.11 -0.02 0.04 -0.04 1.64 1.51 1syoB1 LEU 1216 HB3 -0.07 -0.02 0.17 -0.04 1.64 1.67 1syoB1 LEU 1216 HG -0.27 0.04 -0.08 -0.04 1.64 1.29 1syoB1 LEU 1216 HD13 -0.10 0.01 -0.13 -0.04 0.93 0.67 1syoB1 LEU 1216 HD23 -0.14 0.05 -0.15 -0.04 0.89 0.61 1syoB1 VAL 1217 H -0.04 0.27 0.12 -0.55 8.24 8.05 1syoB1 VAL 1217 HA -0.03 0.20 0.86 -0.75 4.13 4.41 1syoB1 VAL 1217 HB -0.01 -0.02 -0.05 -0.04 2.12 1.99 1syoB1 VAL 1217 HG13 -0.01 0.00 -0.18 -0.04 0.97 0.74 1syoB1 VAL 1217 HG23 -0.01 0.00 -0.19 -0.04 0.95 0.71 1syoB1 SER 1218 H -0.04 0.43 0.18 -0.55 8.46 8.48 1syoB1 SER 1218 HA -0.02 0.21 0.86 -0.75 4.49 4.79 1syoB1 SER 1218 HB2 -0.01 0.09 -0.11 -0.04 3.95 3.88 1syoB1 SER 1218 HB3 -0.01 -0.02 0.00 -0.04 3.93 3.86 1syoB1 ASN 1219 H -0.02 0.17 0.13 -0.55 8.53 8.28 1syoB1 ASN 1219 HA -0.03 0.05 0.38 -0.75 4.76 4.40 1syoB1 ASN 1219 HB2 -0.00 0.01 0.16 -0.04 2.88 3.01 1syoB1 ASN 1219 HB3 -0.00 -0.05 0.14 -0.04 2.79 2.84 1syoB1 ASN 1219 HD21 0.02 0.02 -0.02 -0.04 7.03 7.01 1syoB1 ASN 1219 HD22 0.01 -0.01 0.00 -0.04 7.74 7.71 1syoB1 ASP 1220 H -0.01 -0.01 -0.26 -0.55 8.40 7.57 1syoB1 ASP 1220 HA 0.02 0.22 0.68 -0.75 4.63 4.80 1syoB1 ASP 1220 HB2 0.01 0.14 0.18 -0.04 2.71 3.00 1syoB1 ASP 1220 HB3 0.01 -0.01 0.02 -0.04 2.70 2.68 1syoB1 ARG 1221 H -0.04 0.61 -0.31 -0.55 8.46 8.17 1syoB1 ARG 1221 HA 0.02 0.38 1.11 -0.75 4.34 5.10 1syoB1 ARG 1221 HB2 -0.00 -0.17 -0.03 -0.04 1.90 1.66 1syoB1 ARG 1221 HB3 0.02 0.08 -0.00 -0.04 1.80 1.86 1syoB1 ARG 1221 HG2 0.02 0.24 -0.43 -0.04 1.67 1.46 1syoB1 ARG 1221 HG3 0.00 -0.17 -0.34 -0.04 1.67 1.12 1syoB1 ARG 1221 HD2 0.01 -0.03 -0.13 -0.04 3.22 3.03 1syoB1 ARG 1221 HD3 0.02 0.05 -0.15 -0.04 3.22 3.10 1syoB1 LEU 1222 H 0.08 0.58 0.42 -0.55 8.37 8.90 1syoB1 LEU 1222 HA -0.02 0.23 1.08 -0.75 4.35 4.88 1syoB1 LEU 1222 HB2 0.08 -0.08 0.10 -0.04 1.64 1.70 1syoB1 LEU 1222 HB3 -0.03 -0.00 0.03 -0.04 1.64 1.60 1syoB1 LEU 1222 HG -0.08 0.03 -0.31 -0.04 1.64 1.23 1syoB1 LEU 1222 HD13 -0.09 -0.01 -0.12 -0.04 0.93 0.67 1syoB1 LEU 1222 HD23 -0.13 -0.01 -0.13 -0.04 0.89 0.58 1syoB1 VAL 1223 H 0.02 0.63 0.41 -0.55 8.24 8.75 1syoB1 VAL 1223 HA 0.13 0.44 1.17 -0.75 4.13 5.11 1syoB1 VAL 1223 HB 0.01 0.04 -0.00 -0.04 2.12 2.12 1syoB1 VAL 1223 HG13 0.02 -0.03 -0.24 -0.04 0.97 0.68 1syoB1 VAL 1223 HG23 -0.00 -0.01 -0.06 -0.04 0.95 0.83 1syoB1 LEU 1224 H 0.07 0.56 0.36 -0.55 8.37 8.82 1syoB1 LEU 1224 HA -0.06 0.19 0.91 -0.75 4.35 4.65 1syoB1 LEU 1224 HB2 0.12 -0.03 -0.05 -0.04 1.64 1.63 1syoB1 LEU 1224 HB3 0.08 -0.05 0.14 -0.04 1.64 1.77 1syoB1 LEU 1224 HG -0.61 0.07 -0.22 -0.04 1.64 0.85 1syoB1 LEU 1224 HD13 -0.05 0.02 -0.02 -0.04 0.93 0.84 1syoB1 LEU 1224 HD23 0.12 -0.04 0.02 -0.04 0.89 0.95 1syoB1 SER 1225 H -0.11 0.25 0.16 -0.55 8.46 8.22 1syoB1 SER 1225 HA -0.12 0.30 1.23 -0.75 4.49 5.15 1syoB1 SER 1225 HB2 -0.01 -0.03 0.11 -0.04 3.95 3.97 1syoB1 SER 1225 HB3 0.01 0.07 0.01 -0.04 3.93 3.98 1syoB1 TYR 1226 H 0.06 0.87 0.46 -0.55 8.29 9.13 1syoB1 TYR 1226 HA 0.07 0.27 0.93 -0.75 4.56 5.07 1syoB1 TYR 1226 HB2 0.07 -0.07 0.06 -0.04 3.06 3.07 1syoB1 TYR 1226 HB3 0.07 -0.14 -0.35 -0.04 2.98 2.51 1syoB1 TYR 1226 HD2 0.08 0.03 -0.29 -0.04 7.15 6.92 1syoB1 TYR 1226 HE2 0.11 0.00 -0.14 -0.04 6.85 6.77 1syoB1 VAL 1227 H 0.18 0.59 0.32 -0.55 8.24 8.78 1syoB1 VAL 1227 HA 0.12 0.26 1.00 -0.75 4.13 4.76 1syoB1 VAL 1227 HB 0.07 0.02 0.09 -0.04 2.12 2.25 1syoB1 VAL 1227 HG13 0.08 -0.00 -0.24 -0.04 0.97 0.77 1syoB1 VAL 1227 HG23 0.08 0.02 -0.12 -0.04 0.95 0.88 1syoB1 LYS 1228 H 0.07 0.38 0.10 -0.55 8.42 8.42 1syoB1 LYS 1228 HA 0.05 0.18 0.71 -0.75 4.32 4.50 1syoB1 LYS 1228 HB2 0.07 0.13 -0.24 -0.04 1.87 1.79 1syoB1 LYS 1228 HB3 0.04 0.03 0.08 -0.04 1.79 1.90 1syoB1 LYS 1228 HG2 0.04 -0.12 -0.21 -0.04 1.46 1.13 1syoB1 LYS 1228 HG3 0.05 0.15 -0.31 -0.04 1.46 1.31 1syoB1 LYS 1228 HD2 0.03 0.01 0.04 -0.04 1.69 1.73 1syoB1 LYS 1228 HD3 0.03 -0.04 -0.04 -0.04 1.68 1.60 1syoB1 LYS 1228 HE2 0.04 0.16 0.07 -0.04 2.99 3.22 1syoB1 LYS 1228 HE3 0.03 -0.01 0.06 -0.04 2.99 3.03 1syoB1 PHE 1236 HA -0.04 -0.02 0.14 -0.75 4.62 3.94 1syoB1 PHE 1236 HB2 -0.05 -0.02 0.09 -0.04 3.15 3.12 1syoB1 PHE 1236 HB3 -0.07 0.01 0.04 -0.04 3.06 3.01 1syoB1 PHE 1236 HD2 -0.13 -0.02 -0.17 -0.04 7.28 6.92 1syoB1 PHE 1236 HE2 -0.37 0.01 -0.08 -0.04 7.38 6.90 1syoB1 PHE 1236 HZ -0.22 0.02 -0.08 -0.04 7.32 6.99 1syoB1 CYS 1237 H -0.25 0.22 0.12 -0.55 8.50 8.05 1syoB1 CYS 1237 HA 0.07 0.09 0.45 -0.75 4.58 4.43 1syoB1 CYS 1237 HB2 -0.15 -0.13 0.10 -0.04 2.97 2.75 1syoB1 CYS 1237 HB3 -0.02 0.54 -0.09 -0.04 2.97 3.35 1syoB1 ASP 1238 H -0.04 0.08 -0.09 -0.55 8.40 7.80 1syoB1 ASP 1238 HA -0.06 0.00 0.29 -0.75 4.63 4.11 1syoB1 ASP 1238 HB2 0.13 0.16 -0.09 -0.04 2.71 2.87 1syoB1 ASP 1238 HB3 -0.03 -0.01 0.11 -0.04 2.70 2.74 1syoB1 GLY 1239 H -0.11 0.05 -0.14 -0.55 8.43 7.68 1syoB1 GLY 1239 HA2 -0.11 -0.03 0.25 -0.51 4.01 3.61 1syoB1 GLY 1239 HA3 -0.21 0.06 0.34 -0.51 4.01 3.70 1syoB1 HIS 1240 H -0.17 0.52 -0.98 -0.55 8.41 7.24 1syoB1 HIS 1240 HA -0.01 -0.00 0.63 -0.75 4.63 4.49 1syoB1 HIS 1240 HB2 -0.01 0.09 0.09 -0.04 3.26 3.39 1syoB1 HIS 1240 HB3 -0.01 0.04 0.01 -0.04 3.20 3.20 1syoB1 HIS 1240 HD2 -0.01 -0.05 -0.02 -0.04 6.97 6.85 1syoB1 HIS 1240 HE1 -0.01 -0.13 0.02 -0.04 7.75 7.59 1syoB1 SER 1241 H 0.08 0.09 0.14 -0.55 8.46 8.22 1syoB1 SER 1241 HA 0.03 0.03 0.44 -0.75 4.49 4.24 1syoB1 SER 1241 HB2 0.05 -0.01 0.12 -0.04 3.95 4.07 1syoB1 SER 1241 HB3 0.04 -0.04 0.08 -0.04 3.93 3.97 1syoB1 PRO 1242 HA 0.15 0.63 0.71 -0.51 4.44 5.42 1syoB1 PRO 1242 HB2 0.09 -0.12 0.01 -0.04 2.28 2.22 1syoB1 PRO 1242 HB3 0.17 -0.03 0.20 -0.04 2.02 2.32 1syoB1 PRO 1242 HG2 0.01 0.04 0.35 -0.04 2.03 2.39 1syoB1 PRO 1242 HG3 0.02 0.04 0.21 -0.04 2.03 2.26 1syoB1 PRO 1242 HD2 0.04 -0.08 0.33 -0.04 3.68 3.93 1syoB1 PRO 1242 HD3 0.01 0.17 0.24 -0.04 3.65 4.03 1syoB1 ALA 1243 H 0.22 0.53 0.49 -0.55 8.40 9.10 1syoB1 ALA 1243 HA 0.15 0.09 0.77 -0.75 4.34 4.59 1syoB1 ALA 1243 HB3 0.09 -0.01 0.04 -0.04 1.41 1.49 1syoB1 VAL 1244 H 0.19 0.49 0.29 -0.55 8.24 8.66 1syoB1 VAL 1244 HA 0.21 0.32 1.09 -0.75 4.13 5.00 1syoB1 VAL 1244 HB 0.41 -0.06 0.02 -0.04 2.12 2.45 1syoB1 VAL 1244 HG13 0.18 -0.02 -0.21 -0.04 0.97 0.88 1syoB1 VAL 1244 HG23 0.13 0.02 -0.26 -0.04 0.95 0.80 1syoB1 THR 1245 H 0.10 0.62 0.31 -0.55 8.28 8.76 1syoB1 THR 1245 HA -0.02 0.22 1.06 -0.75 4.39 4.91 1syoB1 THR 1245 HB 0.03 -0.02 0.18 -0.04 4.32 4.46 1syoB1 THR 1245 HG23 -0.00 -0.01 -0.15 -0.04 1.22 1.01 1syoB1 ILE 1246 H -0.06 0.74 0.34 -0.55 8.25 8.72 1syoB1 ILE 1246 HA -0.08 0.24 1.14 -0.75 4.18 4.73 1syoB1 ILE 1246 HB -0.06 -0.06 0.13 -0.04 1.89 1.86 1syoB1 ILE 1246 HG12 0.03 -0.02 -0.15 -0.04 1.49 1.31 1syoB1 ILE 1246 HG13 0.02 -0.04 -0.26 -0.04 1.21 0.89 1syoB1 ILE 1246 HG23 -0.63 -0.01 -0.22 -0.04 0.93 0.04 1syoB1 ILE 1246 HD13 0.23 -0.00 -0.10 -0.04 0.88 0.97 1syoB1 THR 1247 H -0.14 0.79 0.45 -0.55 8.28 8.83 1syoB1 THR 1247 HA 0.01 0.38 1.27 -0.75 4.39 5.29 1syoB1 THR 1247 HB -0.02 -0.07 0.21 -0.04 4.32 4.39 1syoB1 THR 1247 HG23 0.02 -0.00 -0.13 -0.04 1.22 1.06 1syoB1 PHE 1248 H 0.29 0.57 0.28 -0.55 8.34 8.93 1syoB1 PHE 1248 HA 0.04 0.29 0.96 -0.75 4.62 5.15 1syoB1 PHE 1248 HB2 -0.08 -0.04 0.12 -0.04 3.15 3.12 1syoB1 PHE 1248 HB3 -0.15 0.01 0.02 -0.04 3.06 2.89 1syoB1 PHE 1248 HD2 -0.37 0.05 -0.15 -0.04 7.28 6.77 1syoB1 PHE 1248 HE2 -0.40 -0.00 -0.13 -0.04 7.38 6.81 1syoB1 PHE 1248 HZ -0.03 0.00 -0.10 -0.04 7.32 7.15 1syoB1 VAL 1249 H 0.12 0.49 0.34 -0.55 8.24 8.64 1syoB1 VAL 1249 HA 0.07 0.37 1.32 -0.75 4.13 5.14 1syoB1 VAL 1249 HB 0.04 0.07 0.00 -0.04 2.12 2.19 1syoB1 VAL 1249 HG13 0.05 -0.01 -0.26 -0.04 0.97 0.71 1syoB1 VAL 1249 HG23 0.05 -0.02 -0.26 -0.04 0.95 0.68 1syoB1 CYS 1250 H 0.05 0.57 0.19 -0.55 8.50 8.76 1syoB1 CYS 1250 HA 0.04 0.08 0.49 -0.75 4.58 4.44 1syoB1 CYS 1250 HB2 0.05 0.02 -0.33 -0.04 2.97 2.67 1syoB1 CYS 1250 HB3 0.03 -0.01 0.11 -0.04 2.97 3.07 1syoB1 PRO 1251 HA 0.03 0.02 0.47 -0.51 4.44 4.45 1syoB1 PRO 1251 HB2 0.04 0.05 0.04 -0.04 2.28 2.37 1syoB1 PRO 1251 HB3 0.05 -0.00 0.05 -0.04 2.02 2.08 1syoB1 PRO 1251 HG2 0.06 0.07 -0.07 -0.04 2.03 2.05 1syoB1 PRO 1251 HG3 0.06 -0.03 -0.00 -0.04 2.03 2.02 1syoB1 PRO 1251 HD2 0.04 0.03 0.09 -0.04 3.68 3.80 1syoB1 PRO 1251 HD3 0.06 0.18 0.12 -0.04 3.65 3.97 1syoB1 SER 1252 H 0.02 0.09 0.15 -0.55 8.46 8.17 1syoB1 SER 1252 HA -0.01 0.10 0.38 -0.75 4.49 4.20 1syoB1 SER 1252 HB2 0.00 0.01 0.07 -0.04 3.95 3.99 1syoB1 SER 1252 HB3 0.01 -0.01 0.12 -0.04 3.93 4.01 1syoB1 GLU 1253 H 0.03 0.05 -0.24 -0.55 8.60 7.90 1syoB1 GLU 1253 HA 0.06 0.19 0.83 -0.75 4.29 4.62 1syoB1 GLU 1253 HB2 0.03 -0.11 -0.06 -0.04 2.09 1.91 1syoB1 GLU 1253 HB3 0.05 0.14 -0.10 -0.04 1.99 2.03 1syoB1 GLU 1253 HG2 0.03 -0.03 -0.02 -0.04 2.34 2.28 1syoB1 GLU 1253 HG3 0.05 0.01 0.08 -0.04 2.34 2.44 1syoB1 ARG 1254 H 0.10 0.13 0.12 -0.55 8.46 8.26 1syoB1 ARG 1254 HA 0.10 0.04 0.45 -0.75 4.34 4.18 1syoB1 ARG 1254 HB2 0.11 -0.01 0.11 -0.04 1.90 2.06 1syoB1 ARG 1254 HB3 0.15 -0.05 -0.01 -0.04 1.80 1.85 1syoB1 ARG 1254 HG2 0.20 -0.01 0.06 -0.04 1.67 1.87 1syoB1 ARG 1254 HG3 0.12 0.13 0.04 -0.04 1.67 1.91 1syoB1 ARG 1254 HD2 0.17 -0.14 -0.02 -0.04 3.22 3.19 1syoB1 ARG 1254 HD3 0.12 -0.06 0.02 -0.04 3.22 3.26 1syoB1 ARG 1255 H 0.05 0.18 0.20 -0.55 8.46 8.34 1syoB1 ARG 1255 HA 0.06 0.08 0.46 -0.75 4.34 4.18 1syoB1 ARG 1255 HB2 0.05 0.16 -0.04 -0.04 1.90 2.02 1syoB1 ARG 1255 HB3 0.04 0.00 0.10 -0.04 1.80 1.90 1syoB1 ARG 1255 HG2 0.05 -0.05 -0.13 -0.04 1.67 1.50 1syoB1 ARG 1255 HG3 0.05 0.17 -0.74 -0.04 1.67 1.12 1syoB1 ARG 1255 HD2 0.06 0.04 -0.03 -0.04 3.22 3.25 1syoB1 ARG 1255 HD3 0.05 -0.20 0.06 -0.04 3.22 3.10 1syoB1 GLU 1256 H 0.04 0.11 0.10 -0.55 8.60 8.30 1syoB1 GLU 1256 HA 0.02 0.02 0.28 -0.75 4.29 3.86 1syoB1 GLU 1256 HB2 0.04 0.02 0.07 -0.04 2.09 2.18 1syoB1 GLU 1256 HB3 0.04 0.06 0.09 -0.04 1.99 2.14 1syoB1 GLU 1256 HG2 0.04 -0.04 0.11 -0.04 2.34 2.40 1syoB1 GLU 1256 HG3 0.04 0.02 0.06 -0.04 2.34 2.42 1syoB1 GLY 1257 H 0.03 0.36 0.19 -0.55 8.43 8.47 1syoB1 GLY 1257 HA2 0.10 -0.05 0.47 -0.51 4.01 4.03 1syoB1 GLY 1257 HA3 0.11 0.05 0.43 -0.51 4.01 4.09 1syoB1 THR 1258 H 0.18 0.25 0.27 -0.55 8.28 8.43 1syoB1 THR 1258 HA 0.03 0.12 0.94 -0.75 4.39 4.73 1syoB1 THR 1258 HB 0.01 0.04 0.08 -0.04 4.32 4.41 1syoB1 THR 1258 HG23 0.04 0.04 -0.09 -0.04 1.22 1.17 1syoB1 ILE 1259 H -0.06 0.08 0.14 -0.55 8.25 7.87 1syoB1 ILE 1259 HA -0.30 0.08 0.45 -0.75 4.18 3.65 1syoB1 ILE 1259 HB -0.11 -0.07 0.12 -0.04 1.89 1.79 1syoB1 ILE 1259 HG12 -0.05 0.00 0.06 -0.04 1.49 1.46 1syoB1 ILE 1259 HG13 -0.06 0.02 0.07 -0.04 1.21 1.20 1syoB1 ILE 1259 HG23 -0.19 0.04 0.04 -0.04 0.93 0.79 1syoB1 ILE 1259 HD13 -0.02 -0.03 0.04 -0.04 0.88 0.83 1syoB1 PRO 1260 HA -0.53 0.09 0.68 -0.51 4.44 4.17 1syoB1 PRO 1260 HB2 -0.42 -0.00 -0.12 -0.04 2.28 1.70 1syoB1 PRO 1260 HB3 -1.41 0.00 0.02 -0.04 2.02 0.58 1syoB1 PRO 1260 HG2 -0.49 0.01 0.06 -0.04 2.03 1.57 1syoB1 PRO 1260 HG3 -1.18 0.03 -0.04 -0.04 2.03 0.80 1syoB1 PRO 1260 HD2 -0.63 0.11 0.26 -0.04 3.68 3.38 1syoB1 PRO 1260 HD3 -2.07 0.14 0.16 -0.04 3.65 1.84 1syoB1 LYS 1261 H -0.13 0.66 0.44 -0.55 8.42 8.84 1syoB1 LYS 1261 HA -0.09 0.14 1.08 -0.75 4.32 4.70 1syoB1 LYS 1261 HB2 -0.04 0.04 -0.04 -0.04 1.87 1.80 1syoB1 LYS 1261 HB3 -0.06 0.02 0.05 -0.04 1.79 1.76 1syoB1 LYS 1261 HG2 -0.04 0.10 0.24 -0.04 1.46 1.71 1syoB1 LYS 1261 HG3 -0.02 -0.15 0.19 -0.04 1.46 1.44 1syoB1 LYS 1261 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.60 1syoB1 LYS 1261 HD3 -0.02 0.01 0.01 -0.04 1.68 1.65 1syoB1 LYS 1261 HE2 0.01 -0.06 -0.02 -0.04 2.99 2.89 1syoB1 LYS 1261 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 1syoB1 LEU 1262 H -0.03 0.65 0.27 -0.55 8.37 8.71 1syoB1 LEU 1262 HA 0.02 0.08 0.70 -0.75 4.35 4.39 1syoB1 LEU 1262 HB2 0.01 0.09 0.06 -0.04 1.64 1.76 1syoB1 LEU 1262 HB3 0.01 -0.03 0.25 -0.04 1.64 1.83 1syoB1 LEU 1262 HG 0.13 -0.02 -0.08 -0.04 1.64 1.63 1syoB1 LEU 1262 HD13 0.08 -0.03 -0.07 -0.04 0.93 0.88 1syoB1 LEU 1262 HD23 0.10 0.06 -0.15 -0.04 0.89 0.86 1syoB1 THR 1263 H 0.01 0.42 0.42 -0.55 8.28 8.58 1syoB1 THR 1263 HA -0.01 0.15 0.77 -0.75 4.39 4.55 1syoB1 THR 1263 HB -0.01 -0.02 0.09 -0.04 4.32 4.34 1syoB1 THR 1263 HG23 -0.01 0.01 -0.04 -0.04 1.22 1.14 1syoB1 ALA 1264 H 0.02 0.30 0.09 -0.55 8.40 8.25 1syoB1 ALA 1264 HA -0.03 0.05 0.48 -0.75 4.34 4.08 1syoB1 ALA 1264 HB3 -0.03 0.05 -0.04 -0.04 1.41 1.34 1syoB1 LYS 1265 H -0.08 0.24 0.04 -0.55 8.42 8.06 1syoB1 LYS 1265 HA -0.39 0.18 0.77 -0.75 4.32 4.13 1syoB1 LYS 1265 HB2 -0.35 -0.02 -0.01 -0.04 1.87 1.45 1syoB1 LYS 1265 HB3 -0.01 0.01 -0.09 -0.04 1.79 1.66 1syoB1 LYS 1265 HG2 -0.06 0.00 0.07 -0.04 1.46 1.43 1syoB1 LYS 1265 HG3 -0.12 0.02 0.21 -0.04 1.46 1.53 1syoB1 LYS 1265 HD2 -0.06 0.00 0.03 -0.04 1.69 1.62 1syoB1 LYS 1265 HD3 -0.05 0.01 -0.02 -0.04 1.68 1.58 1syoB1 LYS 1265 HE2 0.07 0.04 -0.03 -0.04 2.99 3.04 1syoB1 LYS 1265 HE3 -0.01 0.00 0.02 -0.04 2.99 2.97 1syoB1 SER 1266 H -0.31 0.59 -0.05 -0.55 8.46 8.15 1syoB1 SER 1266 HA -0.16 0.14 0.97 -0.75 4.49 4.69 1syoB1 SER 1266 HB2 -0.11 -0.02 -0.09 -0.04 3.95 3.68 1syoB1 SER 1266 HB3 -0.13 0.09 0.11 -0.04 3.93 3.96 1syoB1 ASN 1267 H -0.13 0.14 0.01 -0.55 8.53 8.01 1syoB1 ASN 1267 HA 0.01 0.10 0.35 -0.75 4.76 4.47 1syoB1 ASN 1267 HB2 -0.24 0.13 -0.15 -0.04 2.88 2.59 1syoB1 ASN 1267 HB3 -0.04 0.14 0.16 -0.04 2.79 3.00 1syoB1 ASN 1267 HD21 -0.06 -0.02 -0.05 -0.04 7.03 6.86 1syoB1 ASN 1267 HD22 -0.17 0.01 -0.18 -0.04 7.74 7.36 1syoB1 CYS 1268 H -0.10 0.03 -0.11 -0.55 8.50 7.78 1syoB1 CYS 1268 HA 0.27 -0.06 0.21 -0.75 4.58 4.25 1syoB1 CYS 1268 HB2 0.09 0.36 -0.31 -0.04 2.97 3.08 1syoB1 CYS 1268 HB3 0.17 -0.09 0.13 -0.04 2.97 3.14 1syoB1 ARG 1269 H -0.36 -0.06 -0.81 -0.55 8.46 6.67 1syoB1 ARG 1269 HA 0.07 0.23 0.92 -0.75 4.34 4.81 1syoB1 ARG 1269 HB2 -0.04 0.10 -0.02 -0.04 1.90 1.90 1syoB1 ARG 1269 HB3 -0.13 0.34 0.13 -0.04 1.80 2.10 1syoB1 ARG 1269 HG2 -0.05 -0.03 -0.01 -0.04 1.67 1.54 1syoB1 ARG 1269 HG3 -0.06 -0.13 -0.05 -0.04 1.67 1.39 1syoB1 ARG 1269 HD2 0.04 0.13 -0.26 -0.04 3.22 3.09 1syoB1 ARG 1269 HD3 0.03 0.04 -0.02 -0.04 3.22 3.23 1syoB1 PHE 1270 H 0.48 0.58 0.19 -0.55 8.34 9.03 1syoB1 PHE 1270 HA 0.01 0.25 0.99 -0.75 4.62 5.11 1syoB1 PHE 1270 HB2 0.05 -0.00 0.06 -0.04 3.15 3.22 1syoB1 PHE 1270 HB3 0.02 -0.01 0.01 -0.04 3.06 3.04 1syoB1 PHE 1270 HD2 0.03 0.15 -0.11 -0.04 7.28 7.30 1syoB1 PHE 1270 HE2 0.05 0.03 -0.09 -0.04 7.38 7.32 1syoB1 PHE 1270 HZ 0.12 0.02 -0.09 -0.04 7.32 7.32 1syoB1 GLU 1271 H 0.10 0.68 0.42 -0.55 8.60 9.25 1syoB1 GLU 1271 HA 0.06 0.27 1.05 -0.75 4.29 4.92 1syoB1 GLU 1271 HB2 0.01 -0.09 0.13 -0.04 2.09 2.10 1syoB1 GLU 1271 HB3 0.01 0.01 0.00 -0.04 1.99 1.97 1syoB1 GLU 1271 HG2 0.02 0.05 -0.08 -0.04 2.34 2.30 1syoB1 GLU 1271 HG3 0.01 0.03 -0.38 -0.04 2.34 1.96 1syoB1 ILE 1272 H 0.02 0.72 0.38 -0.55 8.25 8.81 1syoB1 ILE 1272 HA 0.00 0.15 1.19 -0.75 4.18 4.77 1syoB1 ILE 1272 HB -0.00 -0.04 -0.00 -0.04 1.89 1.80 1syoB1 ILE 1272 HG12 0.03 0.02 -0.26 -0.04 1.49 1.23 1syoB1 ILE 1272 HG13 0.08 -0.13 -0.58 -0.04 1.21 0.54 1syoB1 ILE 1272 HG23 -0.06 0.02 -0.38 -0.04 0.93 0.47 1syoB1 ILE 1272 HD13 0.05 0.00 -0.23 -0.04 0.88 0.66 1syoB1 GLU 1273 H -0.02 0.71 0.41 -0.55 8.60 9.15 1syoB1 GLU 1273 HA -0.03 0.23 1.15 -0.75 4.29 4.89 1syoB1 GLU 1273 HB2 -0.00 -0.01 0.04 -0.04 2.09 2.08 1syoB1 GLU 1273 HB3 -0.00 -0.01 0.17 -0.04 1.99 2.11 1syoB1 GLU 1273 HG2 0.04 -0.07 -0.28 -0.04 2.34 1.99 1syoB1 GLU 1273 HG3 0.03 0.10 0.02 -0.04 2.34 2.45 1syoB1 TRP 1274 H 0.04 0.86 0.35 -0.55 7.97 8.67 1syoB1 TRP 1274 HA -0.08 0.14 0.97 -0.75 4.62 4.90 1syoB1 TRP 1274 HB2 -0.31 -0.04 -0.19 -0.04 3.23 2.65 1syoB1 TRP 1274 HB3 -0.38 -0.04 0.07 -0.04 3.23 2.84 1syoB1 TRP 1274 HD1 0.02 0.15 -0.47 -0.04 7.22 6.88 1syoB1 TRP 1274 HE1 0.03 0.03 -0.02 -0.04 10.20 10.20 1syoB1 TRP 1274 HE3 -0.24 -0.03 -0.14 -0.04 7.59 7.14 1syoB1 TRP 1274 HZ2 -0.18 0.00 -0.04 -0.04 7.44 7.18 1syoB1 TRP 1274 HZ3 -0.34 0.01 -0.17 -0.04 7.13 6.59 1syoB1 TRP 1274 HH2 -2.14 0.04 -0.07 -0.04 7.19 4.98 1syoB1 VAL 1275 H 0.25 0.22 0.10 -0.55 8.24 8.26 1syoB1 VAL 1275 HA 0.15 0.19 0.77 -0.75 4.13 4.49 1syoB1 VAL 1275 HB 0.14 0.01 0.20 -0.04 2.12 2.42 1syoB1 VAL 1275 HG13 0.09 0.00 -0.04 -0.04 0.97 0.98 1syoB1 VAL 1275 HG23 0.07 -0.00 0.00 -0.04 0.95 0.98 1syoB1 THR 1276 H 0.11 0.50 0.26 -0.55 8.28 8.61 1syoB1 THR 1276 HA 0.15 0.11 0.73 -0.75 4.39 4.62 1syoB1 THR 1276 HB -0.04 0.18 -0.14 -0.04 4.32 4.27 1syoB1 THR 1276 HG23 -0.20 0.02 -0.10 -0.04 1.22 0.90 1syoB1 GLU 1277 H -0.00 0.15 0.17 -0.55 8.60 8.38 1syoB1 GLU 1277 HA 0.01 0.15 0.51 -0.75 4.29 4.21 1syoB1 GLU 1277 HB2 -0.19 -0.18 0.22 -0.04 2.09 1.90 1syoB1 GLU 1277 HB3 -0.05 0.17 0.18 -0.04 1.99 2.24 1syoB1 GLU 1277 HG2 0.09 0.15 0.05 -0.04 2.34 2.59 1syoB1 GLU 1277 HG3 0.03 -0.02 0.07 -0.04 2.34 2.38 1syoB1 TYR 1278 H 0.03 0.03 -0.46 -0.55 8.29 7.34 1syoB1 TYR 1278 HA -0.04 0.15 0.44 -0.75 4.56 4.35 1syoB1 TYR 1278 HB2 -0.18 -0.05 -0.06 -0.04 3.06 2.73 1syoB1 TYR 1278 HB3 -0.13 0.12 0.00 -0.04 2.98 2.93 1syoB1 TYR 1278 HD2 -0.07 0.02 -0.04 -0.04 7.15 7.02 1syoB1 TYR 1278 HE2 -0.01 0.02 -0.13 -0.04 6.85 6.69 1syoB1 ALA 1279 H 0.03 0.33 -0.39 -0.55 8.40 7.82 1syoB1 ALA 1279 HA 0.01 0.04 0.32 -0.75 4.34 3.96 1syoB1 ALA 1279 HB3 0.06 0.02 -0.20 -0.04 1.41 1.25 1syoB1 CYS 1280 H 0.02 0.17 -0.56 -0.55 8.50 7.58 1syoB1 CYS 1280 HA 0.07 0.04 0.41 -0.75 4.58 4.35 1syoB1 CYS 1280 HB2 0.01 0.21 0.03 -0.04 2.97 3.17 1syoB1 CYS 1280 HB3 -0.27 -0.12 0.16 -0.04 2.97 2.70 1syoB1 HIS 1281 H -0.35 0.06 0.12 -0.55 8.41 7.70 1syoB1 HIS 1281 HA -0.59 0.34 0.61 -0.75 4.63 4.24 1syoB1 HIS 1281 HB2 -0.20 -0.12 0.04 -0.04 3.26 2.94 1syoB1 HIS 1281 HB3 -0.42 0.03 -0.00 -0.04 3.20 2.77 1syoB1 HIS 1281 HD2 -0.09 0.03 0.05 -0.04 6.97 6.91 1syoB1 HIS 1281 HE1 0.05 0.13 -0.05 -0.04 7.75 7.84 1syoB1 ARG 1282 H -0.03 0.77 0.40 -0.55 8.46 9.04 1syoB1 ARG 1282 HA 0.02 0.14 0.44 -0.75 4.34 4.18 1syoB1 ARG 1282 HB2 0.00 0.08 0.17 -0.04 1.90 2.11 1syoB1 ARG 1282 HB3 0.05 -0.08 0.16 -0.04 1.80 1.89 1syoB1 ARG 1282 HG2 0.04 -0.02 -0.08 -0.04 1.67 1.58 1syoB1 ARG 1282 HG3 0.04 0.05 0.08 -0.04 1.67 1.79 1syoB1 ARG 1282 HD2 0.01 0.02 -0.02 -0.04 3.22 3.18 1syoB1 ARG 1282 HD3 -0.00 -0.02 -0.00 -0.04 3.22 3.16 1syoB1 ASP 1283 H 0.19 0.09 0.00 -0.55 8.40 8.13 1syoB1 ASP 1283 HA 0.14 0.10 0.47 -0.75 4.63 4.58 1syoB1 ASP 1283 HB2 0.10 0.06 0.18 -0.04 2.71 3.00 1syoB1 ASP 1283 HB3 0.10 -0.05 0.15 -0.04 2.70 2.86 1syoB1 TYR 1284 H 0.18 0.23 -0.59 -0.55 8.29 7.56 1syoB1 TYR 1284 HA -0.02 0.34 0.65 -0.75 4.56 4.77 1syoB1 TYR 1284 HB2 -0.72 -0.13 0.11 -0.04 3.06 2.28 1syoB1 TYR 1284 HB3 -0.44 0.30 0.13 -0.04 2.98 2.92 1syoB1 TYR 1284 HD2 -0.13 0.14 0.03 -0.04 7.15 7.15 1syoB1 TYR 1284 HE2 -0.04 -0.08 -0.15 -0.04 6.85 6.54 1syoB1 LEU 1285 H 0.07 0.39 -0.06 -0.55 8.37 8.22 1syoB1 LEU 1285 HA -0.14 0.25 1.00 -0.75 4.35 4.70 1syoB1 LEU 1285 HB2 -0.03 0.02 0.11 -0.04 1.64 1.70 1syoB1 LEU 1285 HB3 -0.14 -0.09 0.07 -0.04 1.64 1.44 1syoB1 LEU 1285 HG -0.02 0.08 -0.04 -0.04 1.64 1.62 1syoB1 LEU 1285 HD13 -0.20 -0.01 -0.07 -0.04 0.93 0.62 1syoB1 LEU 1285 HD23 -0.16 0.05 -0.03 -0.04 0.89 0.71 1syoB1 GLU 1286 H 0.09 0.25 0.14 -0.55 8.60 8.53 1syoB1 GLU 1286 HA -0.07 0.45 1.33 -0.75 4.29 5.24 1syoB1 GLU 1286 HB2 0.05 -0.07 -0.01 -0.04 2.09 2.01 1syoB1 GLU 1286 HB3 0.02 -0.05 0.06 -0.04 1.99 1.97 1syoB1 GLU 1286 HG2 0.01 0.06 -0.21 -0.04 2.34 2.16 1syoB1 GLU 1286 HG3 0.02 -0.05 -0.23 -0.04 2.34 2.03 1syoB1 SER 1287 H -0.04 0.46 0.40 -0.55 8.46 8.72 1syoB1 SER 1287 HA 0.05 0.08 0.79 -0.75 4.49 4.65 1syoB1 SER 1287 HB2 -0.14 0.08 -0.01 -0.04 3.95 3.84 1syoB1 SER 1287 HB3 -0.14 0.04 0.13 -0.04 3.93 3.93 1syoB1 ARG 1288 H 0.02 0.16 0.17 -0.55 8.46 8.26 1syoB1 ARG 1288 HA 0.01 0.36 0.79 -0.75 4.34 4.75 1syoB1 ARG 1288 HB2 0.02 -0.05 0.18 -0.04 1.90 2.01 1syoB1 ARG 1288 HB3 0.01 0.04 0.31 -0.04 1.80 2.13 1syoB1 ARG 1288 HG2 0.04 -0.07 0.07 -0.04 1.67 1.68 1syoB1 ARG 1288 HG3 0.04 -0.00 0.11 -0.04 1.67 1.77 1syoB1 ARG 1288 HD2 0.06 -0.05 -0.02 -0.04 3.22 3.18 1syoB1 ARG 1288 HD3 0.09 -0.05 0.03 -0.04 3.22 3.25 1syoB1 SER 1289 H -0.04 0.18 -0.59 -0.55 8.46 7.46 1syoB1 SER 1289 HA -0.03 0.19 0.62 -0.75 4.49 4.51 1syoB1 SER 1289 HB2 -0.02 -0.05 0.14 -0.04 3.95 3.98 1syoB1 SER 1289 HB3 -0.01 0.07 -0.16 -0.04 3.93 3.79 1syoB1 CYS 1290 H -0.05 0.16 0.08 -0.55 8.50 8.15 1syoB1 CYS 1290 HA -0.12 0.22 0.51 -0.75 4.58 4.44 1syoB1 CYS 1290 HB2 -0.06 0.03 0.11 -0.04 2.97 3.01 1syoB1 CYS 1290 HB3 -0.12 -0.16 0.16 -0.04 2.97 2.81 1syoB1 SER 1291 H -0.08 0.23 -0.58 -0.55 8.46 7.48 1syoB1 SER 1291 HA -0.12 0.14 0.55 -0.75 4.49 4.31 1syoB1 SER 1291 HB2 -0.05 0.21 0.22 -0.04 3.95 4.29 1syoB1 SER 1291 HB3 -0.06 -0.10 0.00 -0.04 3.93 3.73 1syoB1 LEU 1292 H -0.11 0.55 0.31 -0.55 8.37 8.58 1syoB1 LEU 1292 HA -0.21 0.15 0.78 -0.75 4.35 4.31 1syoB1 LEU 1292 HB2 -0.21 -0.08 -0.08 -0.04 1.64 1.24 1syoB1 LEU 1292 HB3 -0.37 0.10 -0.02 -0.04 1.64 1.30 1syoB1 LEU 1292 HG -0.26 -0.11 -0.36 -0.04 1.64 0.87 1syoB1 LEU 1292 HD13 -0.23 0.01 -0.24 -0.04 0.93 0.43 1syoB1 LEU 1292 HD23 -0.70 0.09 -0.22 -0.04 0.89 0.01 1syoB1 SER 1293 H 0.67 0.16 0.19 -0.55 8.46 8.93 1syoB1 SER 1293 HA 0.03 0.21 1.10 -0.75 4.49 5.08 1syoB1 SER 1293 HB2 0.02 -0.07 0.11 -0.04 3.95 3.97 1syoB1 SER 1293 HB3 0.05 0.11 -0.01 -0.04 3.93 4.04 1syoB1 SER 1294 H 0.01 0.19 0.07 -0.55 8.46 8.19 1syoB1 SER 1294 HA 0.00 0.01 0.19 -0.75 4.49 3.93 1syoB1 SER 1294 HB2 0.00 -0.03 0.09 -0.04 3.95 3.97 1syoB1 SER 1294 HB3 0.01 0.10 -0.05 -0.04 3.93 3.94 1syoB1 ALA 1295 H -0.00 0.05 -0.10 -0.55 8.40 7.80 1syoB1 ALA 1295 HA 0.01 0.14 0.36 -0.75 4.34 4.09 1syoB1 ALA 1295 HB3 -0.01 0.01 0.04 -0.04 1.41 1.41 1syoB1 GLN 1296 H -0.09 -0.06 -0.30 -0.55 8.47 7.47 1syoB1 GLN 1296 HA -0.08 0.28 1.09 -0.75 4.36 4.89 1syoB1 GLN 1296 HB2 -0.18 -0.07 0.03 -0.04 2.15 1.89 1syoB1 GLN 1296 HB3 -0.61 -0.11 0.12 -0.04 2.02 1.38 1syoB1 GLN 1296 HG2 -0.98 0.24 -0.08 -0.04 2.40 1.54 1syoB1 GLN 1296 HG3 -0.16 -0.05 0.09 -0.04 2.39 2.23 1syoB1 GLN 1296 HE21 -0.01 -0.04 0.05 -0.04 6.97 6.93 1syoB1 GLN 1296 HE22 -0.06 -0.04 0.02 -0.04 7.69 7.56 1syoB1 HIS 1297 H -0.12 0.41 0.14 -0.55 8.41 8.30 1syoB1 HIS 1297 HA -0.29 0.37 1.05 -0.75 4.63 5.00 1syoB1 HIS 1297 HB2 -0.14 -0.03 0.03 -0.04 3.26 3.08 1syoB1 HIS 1297 HB3 -0.24 0.14 0.12 -0.04 3.20 3.19 1syoB1 HIS 1297 HD2 -0.09 0.07 -0.58 -0.04 6.97 6.31 1syoB1 HIS 1297 HE1 -0.02 -0.05 0.09 -0.04 7.75 7.72 1syoB1 ASP 1298 H 0.03 0.32 0.08 -0.55 8.40 8.28 1syoB1 ASP 1298 HA 0.05 0.09 0.41 -0.75 4.63 4.42 1syoB1 ASP 1298 HB2 0.14 0.31 0.04 -0.04 2.71 3.15 1syoB1 ASP 1298 HB3 0.10 -0.13 0.29 -0.04 2.70 2.92 1syoB1 VAL 1299 H -0.01 0.28 -0.43 -0.55 8.24 7.54 1syoB1 VAL 1299 HA -0.11 0.05 0.52 -0.75 4.13 3.84 1syoB1 VAL 1299 HB -0.25 0.13 -0.34 -0.04 2.12 1.63 1syoB1 VAL 1299 HG13 -0.23 -0.00 -0.26 -0.04 0.97 0.44 1syoB1 VAL 1299 HG23 -0.53 -0.01 -0.23 -0.04 0.95 0.14 1syoB1 ALA 1300 H -0.09 0.18 0.01 -0.55 8.40 7.95 1syoB1 ALA 1300 HA -0.04 0.18 0.78 -0.75 4.34 4.50 1syoB1 ALA 1300 HB3 -0.04 -0.01 0.09 -0.04 1.41 1.41 1syoB1 VAL 1301 H -0.08 0.81 0.33 -0.55 8.24 8.75 1syoB1 VAL 1301 HA -0.10 0.21 0.72 -0.75 4.13 4.20 1syoB1 VAL 1301 HB -0.18 -0.12 -0.08 -0.04 2.12 1.70 1syoB1 VAL 1301 HG13 -0.19 0.04 -0.13 -0.04 0.97 0.65 1syoB1 VAL 1301 HG23 -0.25 0.01 -0.54 -0.04 0.95 0.14 1syoB1 ASP 1302 H -0.07 0.34 0.07 -0.55 8.40 8.19 1syoB1 ASP 1302 HA -0.10 0.19 0.85 -0.75 4.63 4.82 1syoB1 ASP 1302 HB2 -0.04 0.04 -0.03 -0.04 2.71 2.64 1syoB1 ASP 1302 HB3 -0.02 0.02 0.11 -0.04 2.70 2.77 1syoB1 LEU 1303 H -0.18 0.78 0.29 -0.55 8.37 8.71 1syoB1 LEU 1303 HA -0.30 0.18 0.71 -0.75 4.35 4.18 1syoB1 LEU 1303 HB2 -0.28 -0.03 0.04 -0.04 1.64 1.33 1syoB1 LEU 1303 HB3 -0.46 -0.00 0.06 -0.04 1.64 1.19 1syoB1 LEU 1303 HG -0.35 -0.02 -0.11 -0.04 1.64 1.12 1syoB1 LEU 1303 HD13 -0.69 -0.01 -0.12 -0.04 0.93 0.07 1syoB1 LEU 1303 HD23 -0.63 0.03 -0.18 -0.04 0.89 0.07 1syoB1 GLN 1304 H -0.13 0.07 -0.16 -0.55 8.47 7.70 1syoB1 GLN 1304 HA -0.08 0.04 0.37 -0.75 4.36 3.94 1syoB1 GLN 1304 HB2 -0.05 -0.06 0.07 -0.04 2.15 2.07 1syoB1 GLN 1304 HB3 -0.07 0.00 0.05 -0.04 2.02 1.96 1syoB1 GLN 1304 HG2 -0.03 -0.03 -0.06 -0.04 2.40 2.24 1syoB1 GLN 1304 HG3 -0.06 0.06 -0.37 -0.04 2.39 1.99 1syoB1 GLN 1304 HE21 -0.01 0.08 -0.06 -0.04 6.97 6.94 1syoB1 GLN 1304 HE22 -0.02 -0.01 -0.14 -0.04 7.69 7.48 1syoB1 PRO 1305 HA -0.11 0.03 0.35 -0.51 4.44 4.21 1syoB1 PRO 1305 HB2 -0.57 0.08 -0.00 -0.04 2.28 1.74 1syoB1 PRO 1305 HB3 -0.10 -0.02 0.09 -0.04 2.02 1.96 1syoB1 PRO 1305 HG2 -0.85 0.08 -0.06 -0.04 2.03 1.17 1syoB1 PRO 1305 HG3 -0.08 0.02 0.03 -0.04 2.03 1.96 1syoB1 PRO 1305 HD2 -0.17 -0.03 -0.40 -0.04 3.68 3.04 1syoB1 PRO 1305 HD3 -0.09 0.06 0.01 -0.04 3.65 3.58 1syoB1 LEU 1306 H -0.25 0.52 -0.60 -0.55 8.37 7.49 1syoB1 LEU 1306 HA 0.02 0.13 0.56 -0.75 4.35 4.30 1syoB1 LEU 1306 HB2 -0.16 0.08 0.03 -0.04 1.64 1.54 1syoB1 LEU 1306 HB3 0.09 -0.04 0.01 -0.04 1.64 1.65 1syoB1 LEU 1306 HG -0.47 -0.05 -0.01 -0.04 1.64 1.07 1syoB1 LEU 1306 HD13 -0.82 -0.04 -0.07 -0.04 0.93 -0.04 1syoB1 LEU 1306 HD23 0.07 0.01 0.01 -0.04 0.89 0.94 1syoB1 SER 1307 H -0.01 0.71 0.06 -0.55 8.46 8.67 1syoB1 SER 1307 HA 0.15 0.03 0.41 -0.75 4.49 4.33 1syoB1 SER 1307 HB2 0.05 -0.11 0.05 -0.04 3.95 3.90 1syoB1 SER 1307 HB3 0.03 0.12 0.29 -0.04 3.93 4.34 1syoB1 ARG 1308 H 0.04 0.23 -0.56 -0.55 8.46 7.61 1syoB1 ARG 1308 HA 0.01 0.10 1.07 -0.75 4.34 4.76 1syoB1 ARG 1308 HB2 0.00 -0.02 -0.02 -0.04 1.90 1.82 1syoB1 ARG 1308 HB3 0.01 -0.04 -0.02 -0.04 1.80 1.71 1syoB1 ARG 1308 HG2 0.00 -0.03 -0.01 -0.04 1.67 1.59 1syoB1 ARG 1308 HG3 0.01 0.11 0.13 -0.04 1.67 1.88 1syoB1 ARG 1308 HD2 0.01 -0.03 0.00 -0.04 3.22 3.17 1syoB1 ARG 1308 HD3 0.00 -0.03 -0.03 -0.04 3.22 3.12 1syoB1 VAL 1309 H -0.07 0.12 0.11 -0.55 8.24 7.85 1syoB1 VAL 1309 HA -0.08 0.21 0.70 -0.75 4.13 4.21 1syoB1 VAL 1309 HB -0.32 0.33 0.19 -0.04 2.12 2.27 1syoB1 VAL 1309 HG13 -0.37 -0.03 -0.03 -0.04 0.97 0.50 1syoB1 VAL 1309 HG23 -0.66 0.03 -0.25 -0.04 0.95 0.02 1syoB1 SER 1314 HA -0.29 -0.08 0.25 -0.75 4.49 3.61 1syoB1 SER 1314 HB2 -0.99 0.11 0.09 -0.04 3.95 3.11 1syoB1 SER 1314 HB3 -0.35 -0.04 0.09 -0.04 3.93 3.58 1syoB1 LEU 1315 H 0.02 0.13 0.13 -0.55 8.37 8.11 1syoB1 LEU 1315 HA -0.10 -0.15 0.62 -0.75 4.35 3.96 1syoB1 LEU 1315 HB2 0.02 -0.02 0.18 -0.04 1.64 1.78 1syoB1 LEU 1315 HB3 0.08 0.01 0.13 -0.04 1.64 1.83 1syoB1 LEU 1315 HG 0.04 0.26 0.44 -0.04 1.64 2.35 1syoB1 LEU 1315 HD13 -0.01 -0.16 0.25 -0.04 0.93 0.97 1syoB1 LEU 1315 HD23 0.03 -0.05 0.14 -0.04 0.89 0.97 1syoB1 PHE 1316 H -0.43 -0.07 -0.80 -0.55 8.34 6.49 1syoB1 PHE 1316 HA 0.03 0.29 0.99 -0.75 4.62 5.18 1syoB1 PHE 1316 HB2 0.07 -0.03 -0.13 -0.04 3.15 3.03 1syoB1 PHE 1316 HB3 0.00 0.23 -0.12 -0.04 3.06 3.14 1syoB1 PHE 1316 HD2 0.06 0.08 -0.30 -0.04 7.28 7.08 1syoB1 PHE 1316 HE2 0.00 0.00 -0.07 -0.04 7.38 7.27 1syoB1 PHE 1316 HZ -0.08 -0.01 -0.02 -0.04 7.32 7.17 1syoB1 TYR 1317 H 0.39 0.62 0.33 -0.55 8.29 9.09 1syoB1 TYR 1317 HA -0.08 0.17 0.77 -0.75 4.56 4.67 1syoB1 TYR 1317 HB2 -0.12 -0.07 0.10 -0.04 3.06 2.93 1syoB1 TYR 1317 HB3 -0.22 -0.00 0.09 -0.04 2.98 2.81 1syoB1 TYR 1317 HD2 -0.01 0.03 0.10 -0.04 7.15 7.22 1syoB1 TYR 1317 HE2 0.22 0.18 -0.02 -0.04 6.85 7.19 1syoB1 THR 1318 H 0.09 0.26 0.21 -0.55 8.28 8.28 1syoB1 THR 1318 HA 0.13 0.32 1.14 -0.75 4.39 5.22 1syoB1 THR 1318 HB 0.07 -0.03 -0.06 -0.04 4.32 4.26 1syoB1 THR 1318 HG23 0.58 0.01 -0.26 -0.04 1.22 1.51 1syoB1 SER 1319 H 0.01 0.77 0.30 -0.55 8.46 8.99 1syoB1 SER 1319 HA 0.07 0.21 1.04 -0.75 4.49 5.05 1syoB1 SER 1319 HB2 0.32 -0.04 0.04 -0.04 3.95 4.23 1syoB1 SER 1319 HB3 0.28 -0.12 0.00 -0.04 3.93 4.06 1syoB1 GLU 1320 H 0.06 0.18 0.16 -0.55 8.60 8.46 1syoB1 GLU 1320 HA 0.01 0.08 0.68 -0.75 4.29 4.30 1syoB1 GLU 1320 HB2 0.05 -0.02 0.14 -0.04 2.09 2.22 1syoB1 GLU 1320 HB3 0.04 0.09 0.02 -0.04 1.99 2.10 1syoB1 GLU 1320 HG2 0.02 -0.02 0.00 -0.04 2.34 2.30 1syoB1 GLU 1320 HG3 0.02 0.01 0.02 -0.04 2.34 2.35 1syoB1 ALA 1321 H 0.02 0.55 0.40 -0.55 8.40 8.81 1syoB1 ALA 1321 HA 0.20 0.15 0.67 -0.75 4.34 4.60 1syoB1 ALA 1321 HB3 0.03 -0.01 -0.04 -0.04 1.41 1.35 1syoB1 ASP 1322 H 0.14 0.13 0.14 -0.55 8.40 8.26 1syoB1 ASP 1322 HA 0.04 0.13 0.45 -0.75 4.63 4.49 1syoB1 ASP 1322 HB2 0.09 -0.10 0.18 -0.04 2.71 2.84 1syoB1 ASP 1322 HB3 0.04 0.04 0.04 -0.04 2.70 2.78 1syoB1 GLU 1323 H 0.09 0.01 0.02 -0.55 8.60 8.17 1syoB1 GLU 1323 HA -0.14 0.24 0.88 -0.75 4.29 4.52 1syoB1 GLU 1323 HB2 0.01 -0.01 0.02 -0.04 2.09 2.07 1syoB1 GLU 1323 HB3 -0.41 -0.04 0.10 -0.04 1.99 1.60 1syoB1 GLU 1323 HG2 -0.06 0.06 -0.03 -0.04 2.34 2.26 1syoB1 GLU 1323 HG3 0.02 -0.06 -0.08 -0.04 2.34 2.17 1syoB1 TYR 1324 H 0.06 0.01 -0.17 -0.55 8.29 7.64 1syoB1 TYR 1324 HA -0.19 0.33 1.02 -0.75 4.56 4.97 1syoB1 TYR 1324 HB2 -0.53 -0.06 -0.15 -0.04 3.06 2.28 1syoB1 TYR 1324 HB3 -0.57 -0.02 -0.02 -0.04 2.98 2.32 1syoB1 TYR 1324 HD2 -0.12 -0.07 -0.39 -0.04 7.15 6.53 1syoB1 TYR 1324 HE2 -0.00 0.02 -0.12 -0.04 6.85 6.70 1syoB1 THR 1325 H -0.26 0.42 0.28 -0.55 8.28 8.17 1syoB1 THR 1325 HA -0.21 0.18 0.89 -0.75 4.39 4.49 1syoB1 THR 1325 HB -0.27 -0.01 0.05 -0.04 4.32 4.04 1syoB1 THR 1325 HG23 -0.40 0.00 -0.19 -0.04 1.22 0.59 1syoB1 TYR 1326 H -0.06 0.77 0.27 -0.55 8.29 8.71 1syoB1 TYR 1326 HA -0.23 0.36 1.10 -0.75 4.56 5.04 1syoB1 TYR 1326 HB2 0.13 -0.02 0.06 -0.04 3.06 3.20 1syoB1 TYR 1326 HB3 0.07 0.01 -0.12 -0.04 2.98 2.90 1syoB1 TYR 1326 HD2 -0.25 0.12 -0.21 -0.04 7.15 6.77 1syoB1 TYR 1326 HE2 -1.12 -0.02 -0.20 -0.04 6.85 5.47 1syoB1 TYR 1327 H 0.02 0.53 0.30 -0.55 8.29 8.59 1syoB1 TYR 1327 HA 0.14 0.33 1.03 -0.75 4.56 5.31 1syoB1 TYR 1327 HB2 -0.07 -0.05 0.11 -0.04 3.06 3.00 1syoB1 TYR 1327 HB3 -0.06 -0.01 -0.01 -0.04 2.98 2.86 1syoB1 TYR 1327 HD2 0.10 0.08 -0.13 -0.04 7.15 7.16 1syoB1 TYR 1327 HE2 0.04 0.02 -0.14 -0.04 6.85 6.72 1syoB1 LEU 1328 H 0.24 0.73 0.22 -0.55 8.37 9.01 1syoB1 LEU 1328 HA 0.03 0.40 1.19 -0.75 4.35 5.22 1syoB1 LEU 1328 HB2 0.02 -0.03 0.03 -0.04 1.64 1.62 1syoB1 LEU 1328 HB3 -0.00 0.02 -0.12 -0.04 1.64 1.49 1syoB1 LEU 1328 HG -0.23 0.00 -0.36 -0.04 1.64 1.01 1syoB1 LEU 1328 HD13 -0.07 -0.05 -0.43 -0.04 0.93 0.34 1syoB1 LEU 1328 HD23 -0.78 -0.01 -0.22 -0.04 0.89 -0.15 1syoB1 SER 1329 H 0.01 0.69 0.15 -0.55 8.46 8.75 1syoB1 SER 1329 HA 0.21 0.22 0.84 -0.75 4.49 5.02 1syoB1 SER 1329 HB2 0.07 -0.04 -0.68 -0.04 3.95 3.26 1syoB1 SER 1329 HB3 0.11 0.10 -0.34 -0.04 3.93 3.76 1syoB1 ILE 1330 H 0.24 0.28 -0.03 -0.55 8.25 8.19 1syoB1 ILE 1330 HA 0.04 0.17 0.92 -0.75 4.18 4.55 1syoB1 ILE 1330 HB 0.32 -0.08 -0.04 -0.04 1.89 2.05 1syoB1 ILE 1330 HG12 0.30 0.09 -0.14 -0.04 1.49 1.69 1syoB1 ILE 1330 HG13 0.12 0.04 -0.49 -0.04 1.21 0.84 1syoB1 ILE 1330 HG23 0.27 0.02 -0.27 -0.04 0.93 0.91 1syoB1 ILE 1330 HD13 -0.07 -0.01 -0.15 -0.04 0.88 0.61 1syoB1 CYS 1331 H 0.26 0.11 0.07 -0.55 8.50 8.40 1syoB1 CYS 1331 HA 0.08 -0.02 0.36 -0.75 4.58 4.25 1syoB1 CYS 1331 HB2 0.02 0.22 0.09 -0.04 2.97 3.26 1syoB1 CYS 1331 HB3 -0.00 -0.06 0.09 -0.04 2.97 2.95 1syoB1 GLY 1332 H 0.06 0.07 -0.01 -0.55 8.43 8.01 1syoB1 GLY 1332 HA2 0.02 -0.00 0.26 -0.51 4.01 3.78 1syoB1 GLY 1332 HA3 0.02 -0.00 0.31 -0.51 4.01 3.83 1syoB1 GLY 1333 H 0.06 -0.05 -0.96 -0.55 8.43 6.93 1syoB1 GLY 1333 HA2 0.05 0.13 0.53 -0.51 4.01 4.21 1syoB1 GLY 1333 HA3 0.09 0.10 0.24 -0.51 4.01 3.93 1syoB1 SER 1334 H 0.06 0.22 0.17 -0.55 8.46 8.36 1syoB1 SER 1334 HA 0.02 0.10 0.66 -0.75 4.49 4.52 1syoB1 SER 1334 HB2 0.08 -0.08 0.05 -0.04 3.95 3.96 1syoB1 SER 1334 HB3 0.03 0.03 0.02 -0.04 3.93 3.97 1syoB1 GLN 1335 H -0.03 0.11 0.09 -0.55 8.47 8.09 1syoB1 GLN 1335 HA -0.04 0.13 0.57 -0.75 4.36 4.27 1syoB1 GLN 1335 HB2 -0.07 -0.02 0.07 -0.04 2.15 2.08 1syoB1 GLN 1335 HB3 -0.14 0.15 -0.11 -0.04 2.02 1.87 1syoB1 GLN 1335 HG2 -0.05 0.07 -0.01 -0.04 2.40 2.37 1syoB1 GLN 1335 HG3 -0.08 -0.02 0.04 -0.04 2.39 2.29 1syoB1 GLN 1335 HE21 -0.00 -0.08 -0.07 -0.04 6.97 6.77 1syoB1 GLN 1335 HE22 -0.07 -0.01 -0.09 -0.04 7.69 7.48 1syoB1 ALA 1336 H -0.49 0.09 -0.01 -0.55 8.40 7.44 1syoB1 ALA 1336 HA -1.45 0.14 0.34 -0.75 4.34 2.61 1syoB1 ALA 1336 HB3 -1.35 0.00 -0.01 -0.04 1.41 0.01 1syoB1 PRO 1337 HA -0.16 0.13 0.36 -0.51 4.44 4.25 1syoB1 PRO 1337 HB2 -0.15 -0.00 0.03 -0.04 2.28 2.12 1syoB1 PRO 1337 HB3 -0.09 0.05 0.06 -0.04 2.02 1.99 1syoB1 PRO 1337 HG2 -0.04 0.05 0.06 -0.04 2.03 2.07 1syoB1 PRO 1337 HG3 -0.08 0.09 0.07 -0.04 2.03 2.08 1syoB1 PRO 1337 HD2 -0.39 0.07 0.16 -0.04 3.68 3.48 1syoB1 PRO 1337 HD3 -0.41 0.18 0.19 -0.04 3.65 3.56 1syoB1 ILE 1338 H -0.36 0.13 -0.24 -0.55 8.25 7.23 1syoB1 ILE 1338 HA -0.13 0.10 0.40 -0.75 4.18 3.80 1syoB1 ILE 1338 HB -0.19 -0.02 0.03 -0.04 1.89 1.67 1syoB1 ILE 1338 HG12 -0.07 0.01 0.08 -0.04 1.49 1.47 1syoB1 ILE 1338 HG13 -0.07 -0.01 0.09 -0.04 1.21 1.17 1syoB1 ILE 1338 HG23 -0.40 -0.01 -0.24 -0.04 0.93 0.24 1syoB1 ILE 1338 HD13 -0.01 0.08 0.02 -0.04 0.88 0.93 1syoB1 CYS 1339 H -0.24 0.42 -0.90 -0.55 8.50 7.23 1syoB1 CYS 1339 HA -0.09 0.13 0.71 -0.75 4.58 4.57 1syoB1 CYS 1339 HB2 -0.19 0.08 -0.02 -0.04 2.97 2.81 1syoB1 CYS 1339 HB3 -0.09 -0.08 0.04 -0.04 2.97 2.80 1syoB1 ASN 1340 H -0.10 0.23 -0.16 -0.55 8.53 7.96 1syoB1 ASN 1340 HA -0.08 0.22 0.74 -0.75 4.76 4.89 1syoB1 ASN 1340 HB2 -0.07 0.05 0.08 -0.04 2.88 2.89 1syoB1 ASN 1340 HB3 -0.06 -0.02 0.05 -0.04 2.79 2.72 1syoB1 ASN 1340 HD21 -0.07 -0.01 -0.03 -0.04 7.03 6.87 1syoB1 ASN 1340 HD22 -0.05 -0.03 0.02 -0.04 7.74 7.63 1syoB1 LYS 1341 H -0.06 0.00 -0.09 -0.55 8.42 7.72 1syoB1 LYS 1341 HA -0.03 0.17 0.60 -0.75 4.32 4.29 1syoB1 LYS 1341 HB2 -0.03 0.01 0.16 -0.04 1.87 1.97 1syoB1 LYS 1341 HB3 -0.03 -0.00 0.06 -0.04 1.79 1.77 1syoB1 LYS 1341 HG2 -0.03 0.01 -0.23 -0.04 1.46 1.16 1syoB1 LYS 1341 HG3 -0.03 0.02 -0.00 -0.04 1.46 1.41 1syoB1 LYS 1341 HD2 -0.05 0.05 -0.01 -0.04 1.69 1.64 1syoB1 LYS 1341 HD3 -0.06 0.00 0.06 -0.04 1.68 1.64 1syoB1 LYS 1341 HE2 -0.04 0.02 0.01 -0.04 2.99 2.94 1syoB1 LYS 1341 HE3 -0.07 0.61 0.13 -0.04 2.99 3.62 1syoB1 LYS 1342 H -0.05 0.14 -0.78 -0.55 8.42 7.18 1syoB1 LYS 1342 HA -0.03 0.20 0.64 -0.75 4.32 4.38 1syoB1 LYS 1342 HB2 -0.04 0.03 -0.16 -0.04 1.87 1.66 1syoB1 LYS 1342 HB3 -0.03 -0.15 0.03 -0.04 1.79 1.60 1syoB1 LYS 1342 HG2 -0.03 -0.13 -0.63 -0.04 1.46 0.63 1syoB1 LYS 1342 HG3 -0.03 -0.02 -0.19 -0.04 1.46 1.18 1syoB1 LYS 1342 HD2 -0.02 -0.08 -0.01 -0.04 1.69 1.55 1syoB1 LYS 1342 HD3 -0.02 0.29 0.06 -0.04 1.68 1.97 1syoB1 LYS 1342 HE2 -0.01 0.00 0.01 -0.04 2.99 2.95 1syoB1 LYS 1342 HE3 -0.02 -0.01 -0.07 -0.04 2.99 2.85 1syoB1 ASP 1343 H -0.03 0.15 -0.11 -0.55 8.40 7.86 1syoB1 ASP 1343 HA -0.04 0.19 0.60 -0.75 4.63 4.62 1syoB1 ASP 1343 HB2 -0.03 0.06 -0.15 -0.04 2.71 2.55 1syoB1 ASP 1343 HB3 -0.03 -0.04 0.19 -0.04 2.70 2.78 1syoB1 ALA 1344 H -0.06 0.29 -0.03 -0.55 8.40 8.06 1syoB1 ALA 1344 HA -0.06 0.28 1.17 -0.75 4.34 4.98 1syoB1 ALA 1344 HB3 -0.04 0.05 -0.09 -0.04 1.41 1.28 1syoB1 ALA 1345 H -0.15 0.55 0.24 -0.55 8.40 8.49 1syoB1 ALA 1345 HA -0.24 0.23 0.52 -0.75 4.34 4.10 1syoB1 ALA 1345 HB3 -0.85 -0.04 -0.21 -0.04 1.41 0.27 1syoB1 VAL 1346 H -0.11 0.29 -0.06 -0.55 8.24 7.81 1syoB1 VAL 1346 HA -0.04 0.36 0.78 -0.75 4.13 4.48 1syoB1 VAL 1346 HB 0.02 -0.01 -0.25 -0.04 2.12 1.84 1syoB1 VAL 1346 HG13 0.10 -0.01 -0.27 -0.04 0.97 0.74 1syoB1 VAL 1346 HG23 -0.13 -0.01 -0.33 -0.04 0.95 0.45 1syoB1 CYS 1347 H 0.05 0.52 0.20 -0.55 8.50 8.72 1syoB1 CYS 1347 HA -0.01 0.11 0.97 -0.75 4.58 4.89 1syoB1 CYS 1347 HB2 -0.01 0.01 -0.20 -0.04 2.97 2.73 1syoB1 CYS 1347 HB3 0.09 -0.02 0.06 -0.04 2.97 3.06 1syoB1 GLN 1348 H -0.08 0.78 0.32 -0.55 8.47 8.95 1syoB1 GLN 1348 HA -0.42 0.22 0.90 -0.75 4.36 4.31 1syoB1 GLN 1348 HB2 -0.33 -0.01 -0.05 -0.04 2.15 1.71 1syoB1 GLN 1348 HB3 -0.22 -0.06 0.05 -0.04 2.02 1.75 1syoB1 GLN 1348 HG2 -0.49 -0.00 -0.16 -0.04 2.40 1.70 1syoB1 GLN 1348 HG3 -1.25 -0.02 -0.15 -0.04 2.39 0.94 1syoB1 GLN 1348 HE21 -0.69 -0.02 -0.14 -0.04 6.97 6.08 1syoB1 GLN 1348 HE22 -0.58 -0.02 -0.16 -0.04 7.69 6.89 1syoB1 VAL 1349 H -0.25 0.33 0.27 -0.55 8.24 8.03 1syoB1 VAL 1349 HA 0.02 0.34 1.01 -0.75 4.13 4.75 1syoB1 VAL 1349 HB 0.04 -0.04 0.09 -0.04 2.12 2.16 1syoB1 VAL 1349 HG13 0.04 0.04 -0.19 -0.04 0.97 0.82 1syoB1 VAL 1349 HG23 0.18 -0.00 -0.31 -0.04 0.95 0.77 1syoB1 LYS 1350 H 0.03 0.56 0.19 -0.55 8.42 8.65 1syoB1 LYS 1350 HA -0.53 0.10 0.57 -0.75 4.32 3.71 1syoB1 LYS 1350 HB2 0.00 0.07 0.15 -0.04 1.87 2.05 1syoB1 LYS 1350 HB3 -0.08 0.03 0.09 -0.04 1.79 1.79 1syoB1 LYS 1350 HG2 -0.25 -0.17 -0.04 -0.04 1.46 0.96 1syoB1 LYS 1350 HG3 -0.59 0.02 0.04 -0.04 1.46 0.90 1syoB1 LYS 1350 HD2 0.00 0.02 -0.01 -0.04 1.69 1.67 1syoB1 LYS 1350 HD3 -0.06 -0.01 -0.06 -0.04 1.68 1.51 1syoB1 LYS 1350 HE2 -0.10 -0.01 -0.03 -0.04 2.99 2.81 1syoB1 LYS 1350 HE3 -0.08 -0.01 -0.02 -0.04 2.99 2.83 1syoB1 LYS 1351 H -0.33 0.73 0.35 -0.55 8.42 8.61 1syoB1 LYS 1351 HA -0.08 0.11 0.39 -0.75 4.32 3.98 1syoB1 LYS 1351 HB2 -0.15 0.00 0.13 -0.04 1.87 1.81 1syoB1 LYS 1351 HB3 -0.08 -0.01 -0.03 -0.04 1.79 1.63 1syoB1 LYS 1351 HG2 -0.08 -0.03 -0.17 -0.04 1.46 1.14 1syoB1 LYS 1351 HG3 -0.14 -0.02 -0.56 -0.04 1.46 0.70 1syoB1 LYS 1351 HD2 -0.06 0.26 -0.04 -0.04 1.69 1.81 1syoB1 LYS 1351 HD3 -0.04 -0.07 -0.04 -0.04 1.68 1.48 1syoB1 LYS 1351 HE2 -0.04 -0.09 -0.11 -0.04 2.99 2.72 1syoB1 LYS 1351 HE3 -0.05 0.14 -0.15 -0.04 2.99 2.90 1syoB1 ALA 1352 H -0.15 0.12 -0.05 -0.55 8.40 7.78 1syoB1 ALA 1352 HA -0.05 0.16 0.58 -0.75 4.34 4.28 1syoB1 ALA 1352 HB3 -0.07 0.01 0.10 -0.04 1.41 1.41 1syoB1 ASP 1353 H -0.07 0.30 -1.00 -0.55 8.40 7.08 1syoB1 ASP 1353 HA -0.03 0.09 0.49 -0.75 4.63 4.43 1syoB1 ASP 1353 HB2 -0.04 0.14 -0.30 -0.04 2.71 2.46 1syoB1 ASP 1353 HB3 -0.04 -0.04 0.08 -0.04 2.70 2.65 1syoB1 SER 1354 H -0.02 0.19 0.01 -0.55 8.46 8.09 1syoB1 SER 1354 HA -0.01 0.17 0.30 -0.75 4.49 4.20 1syoB1 SER 1354 HB2 -0.01 0.04 0.11 -0.04 3.95 4.05 1syoB1 SER 1354 HB3 -0.02 -0.04 0.03 -0.04 3.93 3.87 1syoB1 THR 1355 H -0.02 -0.05 -0.72 -0.55 8.28 6.94 1syoB1 THR 1355 HA -0.01 0.24 0.84 -0.75 4.39 4.71 1syoB1 THR 1355 HB -0.01 0.01 0.07 -0.04 4.32 4.35 1syoB1 THR 1355 HG23 -0.02 -0.01 -0.07 -0.04 1.22 1.08 1syoB1 GLN 1356 H -0.01 0.63 0.06 -0.55 8.47 8.61 1syoB1 GLN 1356 HA 0.01 0.07 0.62 -0.75 4.36 4.31 1syoB1 GLN 1356 HB2 0.01 -0.03 0.13 -0.04 2.15 2.21 1syoB1 GLN 1356 HB3 0.02 -0.06 0.25 -0.04 2.02 2.18 1syoB1 GLN 1356 HG2 0.08 -0.02 -0.18 -0.04 2.40 2.23 1syoB1 GLN 1356 HG3 0.04 0.04 -0.01 -0.04 2.39 2.42 1syoB1 GLN 1356 HE21 0.12 -0.01 -0.04 -0.04 6.97 6.99 1syoB1 GLN 1356 HE22 0.19 -0.02 -0.09 -0.04 7.69 7.73 1syoB1 VAL 1357 H 0.01 0.27 0.23 -0.55 8.24 8.20 1syoB1 VAL 1357 HA 0.01 0.36 1.07 -0.75 4.13 4.81 1syoB1 VAL 1357 HB -0.01 -0.02 0.11 -0.04 2.12 2.15 1syoB1 VAL 1357 HG13 -0.02 -0.02 -0.21 -0.04 0.97 0.68 1syoB1 VAL 1357 HG23 -0.01 0.03 -0.22 -0.04 0.95 0.71 1syoB1 LYS 1358 H -0.02 0.58 0.26 -0.55 8.42 8.69 1syoB1 LYS 1358 HA 0.00 0.16 0.98 -0.75 4.32 4.71 1syoB1 LYS 1358 HB2 -0.05 -0.06 0.01 -0.04 1.87 1.73 1syoB1 LYS 1358 HB3 0.01 0.08 -0.06 -0.04 1.79 1.78 1syoB1 LYS 1358 HG2 0.03 -0.04 -0.43 -0.04 1.46 0.98 1syoB1 LYS 1358 HG3 0.04 -0.03 -0.13 -0.04 1.46 1.29 1syoB1 LYS 1358 HD2 0.04 0.02 -0.02 -0.04 1.69 1.68 1syoB1 LYS 1358 HD3 0.02 0.18 0.05 -0.04 1.68 1.90 1syoB1 LYS 1358 HE2 0.03 0.02 -0.03 -0.04 2.99 2.97 1syoB1 LYS 1358 HE3 0.04 -0.02 -0.12 -0.04 2.99 2.85 1syoB1 VAL 1359 H 0.00 0.16 0.18 -0.55 8.24 8.04 1syoB1 VAL 1359 HA -0.01 0.14 0.72 -0.75 4.13 4.22 1syoB1 VAL 1359 HB 0.01 -0.13 0.22 -0.04 2.12 2.18 1syoB1 VAL 1359 HG13 -0.01 -0.03 -0.08 -0.04 0.97 0.81 1syoB1 VAL 1359 HG23 -0.01 0.02 -0.02 -0.04 0.95 0.90 1syoB1 ALA 1360 H -0.00 0.78 0.30 -0.55 8.40 8.93 1syoB1 ALA 1360 HA 0.12 0.16 0.71 -0.75 4.34 4.58 1syoB1 ALA 1360 HB3 -0.07 -0.01 -0.16 -0.04 1.41 1.12 1syoB1 GLY 1361 H 0.03 0.06 -0.23 -0.55 8.43 7.75 1syoB1 GLY 1361 HA2 0.09 0.09 0.03 -0.51 4.01 3.70 1syoB1 GLY 1361 HA3 0.12 0.12 0.43 -0.51 4.01 4.17 1syoB1 ARG 1362 H -0.03 0.77 0.24 -0.55 8.46 8.89 1syoB1 ARG 1362 HA -0.06 0.13 1.10 -0.75 4.34 4.76 1syoB1 ARG 1362 HB2 -0.09 0.01 0.17 -0.04 1.90 1.94 1syoB1 ARG 1362 HB3 -0.05 -0.03 0.12 -0.04 1.80 1.80 1syoB1 ARG 1362 HG2 -0.04 0.22 0.04 -0.04 1.67 1.85 1syoB1 ARG 1362 HG3 -0.03 -0.11 -0.34 -0.04 1.67 1.15 1syoB1 ARG 1362 HD2 -0.05 0.01 0.11 -0.04 3.22 3.26 1syoB1 ARG 1362 HD3 -0.04 -0.07 0.06 -0.04 3.22 3.14 1syoB1 PRO 1363 HA 0.23 0.05 0.34 -0.51 4.44 4.56 1syoB1 PRO 1363 HB2 0.02 0.03 -0.02 -0.04 2.28 2.27 1syoB1 PRO 1363 HB3 -0.02 0.08 0.05 -0.04 2.02 2.09 1syoB1 PRO 1363 HG2 -0.02 0.02 0.01 -0.04 2.03 1.99 1syoB1 PRO 1363 HG3 -0.04 0.11 -0.07 -0.04 2.03 2.00 1syoB1 PRO 1363 HD2 -0.05 0.27 0.09 -0.04 3.68 3.95 1syoB1 PRO 1363 HD3 -0.10 0.11 -0.12 -0.04 3.65 3.50 1syoB1 GLN 1364 H -0.03 0.08 -0.39 -0.55 8.47 7.58 1syoB1 GLN 1364 HA -0.03 0.14 0.62 -0.75 4.36 4.34 1syoB1 GLN 1364 HB2 -0.07 0.01 -0.01 -0.04 2.15 2.04 1syoB1 GLN 1364 HB3 -0.05 0.02 0.11 -0.04 2.02 2.06 1syoB1 GLN 1364 HG2 -0.03 0.02 0.01 -0.04 2.40 2.36 1syoB1 GLN 1364 HG3 -0.02 0.02 -0.02 -0.04 2.39 2.32 1syoB1 GLN 1364 HE21 -0.03 0.03 -0.01 -0.04 6.97 6.91 1syoB1 GLN 1364 HE22 -0.02 0.02 -0.03 -0.04 7.69 7.61 1syoB1 ASN 1365 H -0.15 0.52 -0.26 -0.55 8.53 8.10 1syoB1 ASN 1365 HA -0.48 0.19 0.87 -0.75 4.76 4.59 1syoB1 ASN 1365 HB2 -0.77 0.12 0.21 -0.04 2.88 2.40 1syoB1 ASN 1365 HB3 -2.93 -0.07 0.00 -0.04 2.79 -0.25 1syoB1 ASN 1365 HD21 -0.10 0.03 0.01 -0.04 7.03 6.93 1syoB1 ASN 1365 HD22 -0.23 -0.14 -0.27 -0.04 7.74 7.07 1syoB1 LEU 1366 H -0.13 0.28 -0.13 -0.55 8.37 7.85 1syoB1 LEU 1366 HA -0.33 0.33 1.02 -0.75 4.35 4.61 1syoB1 LEU 1366 HB2 -0.12 0.04 -0.09 -0.04 1.64 1.43 1syoB1 LEU 1366 HB3 -0.09 0.07 -0.03 -0.04 1.64 1.54 1syoB1 LEU 1366 HG -0.72 -0.00 -0.13 -0.04 1.64 0.75 1syoB1 LEU 1366 HD13 0.01 -0.03 -0.08 -0.04 0.93 0.79 1syoB1 LEU 1366 HD23 -0.14 -0.01 -0.53 -0.04 0.89 0.17 1syoB1 THR 1367 H -0.11 0.49 0.27 -0.55 8.28 8.38 1syoB1 THR 1367 HA 0.01 0.25 0.88 -0.75 4.39 4.79 1syoB1 THR 1367 HB 0.12 -0.03 0.07 -0.04 4.32 4.43 1syoB1 THR 1367 HG23 0.02 -0.02 -0.22 -0.04 1.22 0.97 1syoB1 LEU 1368 H -0.05 0.69 0.39 -0.55 8.37 8.85 1syoB1 LEU 1368 HA -0.05 0.21 1.05 -0.75 4.35 4.80 1syoB1 LEU 1368 HB2 -0.12 -0.03 0.05 -0.04 1.64 1.50 1syoB1 LEU 1368 HB3 -0.12 0.01 0.20 -0.04 1.64 1.68 1syoB1 LEU 1368 HG -0.13 0.05 -0.30 -0.04 1.64 1.22 1syoB1 LEU 1368 HD13 -0.15 0.03 -0.12 -0.04 0.93 0.65 1syoB1 LEU 1368 HD23 -0.18 -0.04 -0.36 -0.04 0.89 0.27 1syoB1 ARG 1369 H 0.01 0.74 0.42 -0.55 8.46 9.08 1syoB1 ARG 1369 HA -0.04 0.45 1.09 -0.75 4.34 5.09 1syoB1 ARG 1369 HB2 0.03 -0.05 -0.19 -0.04 1.90 1.65 1syoB1 ARG 1369 HB3 0.05 -0.01 0.03 -0.04 1.80 1.83 1syoB1 ARG 1369 HG2 0.05 -0.04 -0.29 -0.04 1.67 1.35 1syoB1 ARG 1369 HG3 -0.04 0.09 -0.14 -0.04 1.67 1.54 1syoB1 ARG 1369 HD2 0.20 -0.01 -0.14 -0.04 3.22 3.22 1syoB1 ARG 1369 HD3 0.09 -0.02 -0.14 -0.04 3.22 3.10 1syoB1 TYR 1370 H -0.02 0.65 0.30 -0.55 8.29 8.67 1syoB1 TYR 1370 HA -0.06 0.38 0.95 -0.75 4.56 5.08 1syoB1 TYR 1370 HB2 -0.14 -0.05 -0.14 -0.04 3.06 2.69 1syoB1 TYR 1370 HB3 -0.18 0.08 0.10 -0.04 2.98 2.94 1syoB1 TYR 1370 HD2 -0.09 0.05 -0.23 -0.04 7.15 6.84 1syoB1 TYR 1370 HE2 -0.03 0.04 -0.23 -0.04 6.85 6.59 1syoB1 SER 1371 H -0.49 0.55 0.16 -0.55 8.46 8.14 1syoB1 SER 1371 HA -0.38 0.08 0.62 -0.75 4.49 4.05 1syoB1 SER 1371 HB2 -0.59 0.16 -0.31 -0.04 3.95 3.17 1syoB1 SER 1371 HB3 -0.57 0.02 -0.10 -0.04 3.93 3.25 1syoB1 ASP 1372 H -0.20 0.15 0.18 -0.55 8.40 7.99 1syoB1 ASP 1372 HA -0.04 0.25 0.41 -0.75 4.63 4.49 1syoB1 ASP 1372 HB2 0.06 0.18 -0.05 -0.04 2.71 2.86 1syoB1 ASP 1372 HB3 0.08 -0.06 0.35 -0.04 2.70 3.02 1syoB1 GLY 1373 H -0.43 0.04 -0.36 -0.55 8.43 7.14 1syoB1 GLY 1373 HA2 -0.12 -0.01 0.20 -0.51 4.01 3.57 1syoB1 GLY 1373 HA3 -0.05 0.06 0.52 -0.51 4.01 4.03 1syoB1 ASP 1374 H -0.28 0.52 -0.27 -0.55 8.40 7.82 1syoB1 ASP 1374 HA 0.03 0.22 1.08 -0.75 4.63 5.20 1syoB1 ASP 1374 HB2 0.00 0.01 0.06 -0.04 2.71 2.74 1syoB1 ASP 1374 HB3 0.06 0.08 -0.03 -0.04 2.70 2.76 1syoB1 LEU 1375 H 0.17 0.27 0.25 -0.55 8.37 8.51 1syoB1 LEU 1375 HA 0.25 0.25 0.96 -0.75 4.35 5.06 1syoB1 LEU 1375 HB2 0.25 -0.01 0.00 -0.04 1.64 1.84 1syoB1 LEU 1375 HB3 0.19 0.02 0.13 -0.04 1.64 1.94 1syoB1 LEU 1375 HG 0.02 -0.05 -0.22 -0.04 1.64 1.35 1syoB1 LEU 1375 HD13 -0.04 0.03 -0.13 -0.04 0.93 0.75 1syoB1 LEU 1375 HD23 -0.18 -0.01 -0.12 -0.04 0.89 0.53 1syoB1 THR 1376 H 0.10 0.79 0.40 -0.55 8.28 9.03 1syoB1 THR 1376 HA 0.22 0.26 1.03 -0.75 4.39 5.15 1syoB1 THR 1376 HB 0.11 -0.05 0.04 -0.04 4.32 4.37 1syoB1 THR 1376 HG23 0.15 -0.00 -0.21 -0.04 1.22 1.12 1syoB1 LEU 1377 H 0.27 0.53 0.31 -0.55 8.37 8.94 1syoB1 LEU 1377 HA 0.02 0.24 1.08 -0.75 4.35 4.94 1syoB1 LEU 1377 HB2 0.15 -0.00 -0.02 -0.04 1.64 1.73 1syoB1 LEU 1377 HB3 0.39 -0.06 0.14 -0.04 1.64 2.07 1syoB1 LEU 1377 HG -0.09 -0.01 -0.31 -0.04 1.64 1.19 1syoB1 LEU 1377 HD13 -0.21 0.03 -0.13 -0.04 0.93 0.58 1syoB1 LEU 1377 HD23 0.15 -0.02 -0.12 -0.04 0.89 0.86 1syoB1 ILE 1378 H -0.02 0.81 0.36 -0.55 8.25 8.85 1syoB1 ILE 1378 HA 0.13 0.28 1.24 -0.75 4.18 5.08 1syoB1 ILE 1378 HB 0.10 -0.03 0.13 -0.04 1.89 2.06 1syoB1 ILE 1378 HG12 0.11 0.01 -0.09 -0.04 1.49 1.48 1syoB1 ILE 1378 HG13 0.09 -0.05 -0.31 -0.04 1.21 0.90 1syoB1 ILE 1378 HG23 0.18 0.01 -0.19 -0.04 0.93 0.89 1syoB1 ILE 1378 HD13 0.06 -0.01 -0.11 -0.04 0.88 0.78 1syoB1 TYR 1379 H 0.26 0.63 0.37 -0.55 8.29 9.00 1syoB1 TYR 1379 HA 0.04 0.42 1.08 -0.75 4.56 5.35 1syoB1 TYR 1379 HB2 0.08 -0.02 0.10 -0.04 3.06 3.17 1syoB1 TYR 1379 HB3 0.02 -0.13 -0.07 -0.04 2.98 2.76 1syoB1 TYR 1379 HD2 0.00 0.15 -0.26 -0.04 7.15 7.00 1syoB1 TYR 1379 HE2 0.03 0.02 -0.11 -0.04 6.85 6.74 1syoB1 PHE 1380 H -0.28 0.61 0.35 -0.55 8.34 8.48 1syoB1 PHE 1380 HA 0.07 0.22 0.98 -0.75 4.62 5.13 1syoB1 PHE 1380 HB2 -0.03 -0.13 0.17 -0.04 3.15 3.12 1syoB1 PHE 1380 HB3 0.03 0.05 -0.12 -0.04 3.06 2.98 1syoB1 PHE 1380 HD2 -0.01 -0.04 -0.18 -0.04 7.28 7.01 1syoB1 PHE 1380 HE2 -0.02 0.01 -0.24 -0.04 7.38 7.09 1syoB1 PHE 1380 HZ -0.01 0.03 -0.10 -0.04 7.32 7.20 1syoB1 GLY 1381 H 0.26 0.20 0.13 -0.55 8.43 8.47 1syoB1 GLY 1381 HA2 0.08 0.04 0.34 -0.51 4.01 3.96 1syoB1 GLY 1381 HA3 -0.05 0.05 0.54 -0.51 4.01 4.04 1syoB1 GLY 1382 H 0.06 0.35 -0.18 -0.55 8.43 8.11 1syoB1 GLY 1382 HA2 0.02 0.00 0.34 -0.51 4.01 3.86 1syoB1 GLY 1382 HA3 0.06 0.16 0.12 -0.51 4.01 3.85 1syoB1 GLU 1383 H 0.04 0.27 0.22 -0.55 8.60 8.58 1syoB1 GLU 1383 HA 0.03 0.06 0.52 -0.75 4.29 4.14 1syoB1 GLU 1383 HB2 0.05 -0.00 0.19 -0.04 2.09 2.28 1syoB1 GLU 1383 HB3 0.04 0.09 0.07 -0.04 1.99 2.14 1syoB1 GLU 1383 HG2 0.01 0.07 0.10 -0.04 2.34 2.48 1syoB1 GLU 1383 HG3 0.02 -0.09 0.22 -0.04 2.34 2.44 1syoB1 GLU 1384 H 0.03 0.10 0.16 -0.55 8.60 8.35 1syoB1 GLU 1384 HA 0.06 0.09 0.13 -0.75 4.29 3.81 1syoB1 GLU 1384 HB2 0.04 -0.04 -0.01 -0.04 2.09 2.04 1syoB1 GLU 1384 HB3 0.06 0.03 -0.20 -0.04 1.99 1.84 1syoB1 GLU 1384 HG2 0.02 0.02 -0.05 -0.04 2.34 2.30 1syoB1 GLU 1384 HG3 0.03 -0.03 0.08 -0.04 2.34 2.38 1syoB1 CYS 1385 H 0.14 0.46 0.07 -0.55 8.50 8.62 1syoB1 CYS 1385 HA 0.08 0.16 0.65 -0.75 4.58 4.72 1syoB1 CYS 1385 HB2 0.19 0.11 0.12 -0.04 2.97 3.35 1syoB1 CYS 1385 HB3 0.09 -0.14 0.08 -0.04 2.97 2.97 1syoB1 SER 1386 H 0.04 0.18 0.10 -0.55 8.46 8.24 1syoB1 SER 1386 HA 0.01 0.13 0.28 -0.75 4.49 4.16 1syoB1 SER 1386 HB2 -0.01 0.06 0.08 -0.04 3.95 4.04 1syoB1 SER 1386 HB3 0.01 0.02 0.11 -0.04 3.93 4.04 1syoB1 SER 1387 H -0.01 0.00 -0.58 -0.55 8.46 7.33 1syoB1 SER 1387 HA -0.16 0.10 0.44 -0.75 4.49 4.11 1syoB1 SER 1387 HB2 -0.75 0.05 0.04 -0.04 3.95 3.24 1syoB1 SER 1387 HB3 -0.29 0.02 0.01 -0.04 3.93 3.63 1syoB1 GLY 1388 H 0.05 0.63 -0.19 -0.55 8.43 8.38 1syoB1 GLY 1388 HA2 0.06 0.09 0.27 -0.51 4.01 3.91 1syoB1 GLY 1388 HA3 0.06 0.10 0.86 -0.51 4.01 4.52 1syoB1 PHE 1389 H 0.25 -0.04 -0.18 -0.55 8.34 7.82 1syoB1 PHE 1389 HA 0.14 0.18 0.47 -0.75 4.62 4.66 1syoB1 PHE 1389 HB2 0.47 -0.02 -0.13 -0.04 3.15 3.43 1syoB1 PHE 1389 HB3 0.21 -0.08 0.02 -0.04 3.06 3.17 1syoB1 PHE 1389 HD2 0.14 -0.09 -0.40 -0.04 7.28 6.89 1syoB1 PHE 1389 HE2 0.00 -0.11 -0.13 -0.04 7.38 7.10 1syoB1 PHE 1389 HZ -0.01 -0.05 -0.09 -0.04 7.32 7.12 1syoB1 GLN 1390 H -0.28 0.21 0.17 -0.55 8.47 8.02 1syoB1 GLN 1390 HA -0.01 0.01 0.06 -0.75 4.36 3.66 1syoB1 GLN 1390 HB2 -0.20 -0.06 0.12 -0.04 2.15 1.96 1syoB1 GLN 1390 HB3 -0.05 -0.01 -0.08 -0.04 2.02 1.84 1syoB1 GLN 1390 HG2 -0.00 0.12 0.01 -0.04 2.40 2.49 1syoB1 GLN 1390 HG3 -0.03 -0.01 0.08 -0.04 2.39 2.39 1syoB1 GLN 1390 HE21 0.02 -0.02 0.01 -0.04 6.97 6.94 1syoB1 GLN 1390 HE22 0.02 -0.01 0.03 -0.04 7.69 7.69 1syoB1 ARG 1391 H 0.08 0.47 -0.15 -0.55 8.46 8.31 1syoB1 ARG 1391 HA 0.28 0.24 0.47 -0.75 4.34 4.58 1syoB1 ARG 1391 HB2 0.17 -0.01 0.20 -0.04 1.90 2.22 1syoB1 ARG 1391 HB3 0.41 -0.04 0.06 -0.04 1.80 2.19 1syoB1 ARG 1391 HG2 0.34 -0.06 0.08 -0.04 1.67 1.98 1syoB1 ARG 1391 HG3 0.19 0.25 0.10 -0.04 1.67 2.17 1syoB1 ARG 1391 HD2 0.13 0.08 -0.08 -0.04 3.22 3.31 1syoB1 ARG 1391 HD3 0.29 -0.07 -0.13 -0.04 3.22 3.27 1syoB1 MET 1392 H 0.29 0.45 0.43 -0.55 8.47 9.09 1syoB1 MET 1392 HA 0.21 0.13 0.78 -0.75 4.52 4.89 1syoB1 MET 1392 HB2 0.23 0.12 0.18 -0.04 2.15 2.64 1syoB1 MET 1392 HB3 0.12 -0.07 -0.05 -0.04 2.03 1.99 1syoB1 MET 1392 HG2 0.35 0.04 0.01 -0.04 2.63 2.99 1syoB1 MET 1392 HG3 0.14 -0.05 -0.18 -0.04 2.56 2.43 1syoB1 MET 1392 HE3 -0.07 -0.00 -0.06 -0.04 2.10 1.93 1syoB1 SER 1393 H 0.25 0.87 0.55 -0.55 8.46 9.58 1syoB1 SER 1393 HA 0.21 0.15 1.15 -0.75 4.49 5.24 1syoB1 SER 1393 HB2 0.27 -0.10 0.08 -0.04 3.95 4.16 1syoB1 SER 1393 HB3 0.42 -0.03 0.01 -0.04 3.93 4.29 1syoB1 VAL 1394 H 0.09 0.72 0.37 -0.55 8.24 8.87 1syoB1 VAL 1394 HA 0.17 0.26 1.03 -0.75 4.13 4.83 1syoB1 VAL 1394 HB 0.15 0.02 -0.00 -0.04 2.12 2.25 1syoB1 VAL 1394 HG13 -0.07 0.03 -0.28 -0.04 0.97 0.61 1syoB1 VAL 1394 HG23 0.33 -0.01 -0.12 -0.04 0.95 1.10 1syoB1 ILE 1395 H 0.21 0.78 0.30 -0.55 8.25 8.99 1syoB1 ILE 1395 HA 0.23 0.14 0.92 -0.75 4.18 4.72 1syoB1 ILE 1395 HB 0.20 -0.05 0.14 -0.04 1.89 2.14 1syoB1 ILE 1395 HG12 0.06 -0.02 -0.19 -0.04 1.49 1.30 1syoB1 ILE 1395 HG13 0.21 -0.05 -0.27 -0.04 1.21 1.06 1syoB1 ILE 1395 HG23 -0.32 -0.01 -0.35 -0.04 0.93 0.21 1syoB1 ILE 1395 HD13 0.30 0.00 -0.16 -0.04 0.88 0.97 1syoB1 ASN 1396 H 0.13 0.80 0.31 -0.55 8.53 9.22 1syoB1 ASN 1396 HA 0.15 0.21 0.92 -0.75 4.76 5.29 1syoB1 ASN 1396 HB2 0.08 -0.03 0.26 -0.04 2.88 3.15 1syoB1 ASN 1396 HB3 0.09 0.03 0.09 -0.04 2.79 2.96 1syoB1 ASN 1396 HD21 0.24 -0.03 -0.05 -0.04 7.03 7.15 1syoB1 ASN 1396 HD22 0.14 0.05 0.02 -0.04 7.74 7.90 1syoB1 PHE 1397 H 0.31 0.35 0.11 -0.55 8.34 8.56 1syoB1 PHE 1397 HA 0.12 0.13 0.63 -0.75 4.62 4.75 1syoB1 PHE 1397 HB2 0.01 -0.00 0.00 -0.04 3.15 3.12 1syoB1 PHE 1397 HB3 -0.02 0.01 -0.09 -0.04 3.06 2.92 1syoB1 PHE 1397 HD2 -0.16 0.05 -0.12 -0.04 7.28 7.02 1syoB1 PHE 1397 HE2 -0.93 0.01 -0.13 -0.04 7.38 6.28 1syoB1 PHE 1397 HZ -0.92 -0.00 -0.14 -0.04 7.32 6.22 1syoB1 GLU 1398 H 0.20 0.59 0.30 -0.55 8.60 9.14 1syoB1 GLU 1398 HA 0.13 0.16 0.93 -0.75 4.29 4.76 1syoB1 GLU 1398 HB2 0.11 -0.02 -0.10 -0.04 2.09 2.03 1syoB1 GLU 1398 HB3 0.11 -0.06 -0.07 -0.04 1.99 1.92 1syoB1 GLU 1398 HG2 0.07 -0.04 -0.02 -0.04 2.34 2.30 1syoB1 GLU 1398 HG3 0.08 0.00 0.09 -0.04 2.34 2.47 1syoB1 CYS 1399 H 0.09 0.15 0.14 -0.55 8.50 8.33 1syoB1 CYS 1399 HA 0.07 0.19 0.43 -0.75 4.58 4.51 1syoB1 CYS 1399 HB2 0.05 0.20 -0.06 -0.04 2.97 3.11 1syoB1 CYS 1399 HB3 0.06 -0.02 0.16 -0.04 2.97 3.13 1syoB1 ASN 1400 H 0.05 0.47 -0.06 -0.55 8.53 8.44 1syoB1 ASN 1400 HA 0.04 0.04 0.47 -0.75 4.76 4.56 1syoB1 ASN 1400 HB2 0.08 0.16 -0.30 -0.04 2.88 2.78 1syoB1 ASN 1400 HB3 0.09 -0.03 -0.13 -0.04 2.79 2.68 1syoB1 ASN 1400 HD21 0.05 -0.00 -0.05 -0.04 7.03 6.98 1syoB1 ASN 1400 HD22 0.06 0.07 -0.04 -0.04 7.74 7.79 1syoB1 GLN 1401 H 0.01 0.19 0.07 -0.55 8.47 8.20 1syoB1 GLN 1401 HA -0.03 0.09 0.46 -0.75 4.36 4.13 1syoB1 GLN 1401 HB2 0.00 -0.04 0.11 -0.04 2.15 2.18 1syoB1 GLN 1401 HB3 -0.02 0.06 0.04 -0.04 2.02 2.06 1syoB1 GLN 1401 HG2 -0.00 -0.06 0.08 -0.04 2.40 2.38 1syoB1 GLN 1401 HG3 -0.01 0.03 0.04 -0.04 2.39 2.42 1syoB1 GLN 1401 HE21 -0.05 0.08 0.02 -0.04 6.97 6.98 1syoB1 GLN 1401 HE22 -0.02 -0.01 0.02 -0.04 7.69 7.63 1syoB1 THR 1402 H 0.02 0.03 -0.16 -0.55 8.28 7.63 1syoB1 THR 1402 HA 0.02 0.18 0.51 -0.75 4.39 4.35 1syoB1 THR 1402 HB 0.03 0.02 0.07 -0.04 4.32 4.39 1syoB1 THR 1402 HG23 0.01 -0.01 -0.02 -0.04 1.22 1.17 1syoB1 ALA 1403 H 0.05 0.20 -0.59 -0.55 8.40 7.51 1syoB1 ALA 1403 HA 0.08 -0.07 0.24 -0.75 4.34 3.83 1syoB1 ALA 1403 HB3 0.13 0.03 -0.07 -0.04 1.41 1.46 1syoB1 GLY 1404 H 0.09 0.07 0.13 -0.55 8.43 8.18 1syoB1 GLY 1404 HA2 0.07 0.07 0.39 -0.51 4.01 4.03 1syoB1 GLY 1404 HA3 0.08 0.06 0.35 -0.51 4.01 3.99 1syoB1 ASN 1405 H 0.07 0.12 0.19 -0.55 8.53 8.36 1syoB1 ASN 1405 HA 0.08 0.04 0.40 -0.75 4.76 4.52 1syoB1 ASN 1405 HB2 0.18 0.11 -0.02 -0.04 2.88 3.12 1syoB1 ASN 1405 HB3 0.14 0.10 0.21 -0.04 2.79 3.19 1syoB1 ASN 1405 HD21 0.08 -0.02 -0.07 -0.04 7.03 6.98 1syoB1 ASN 1405 HD22 0.16 0.21 -0.23 -0.04 7.74 7.84 1syoB1 ASN 1406 H 0.07 0.05 0.06 -0.55 8.53 8.16 1syoB1 ASN 1406 HA 0.05 0.01 0.31 -0.75 4.76 4.38 1syoB1 ASN 1406 HB2 0.10 0.16 -0.05 -0.04 2.88 3.05 1syoB1 ASN 1406 HB3 0.06 0.00 0.22 -0.04 2.79 3.03 1syoB1 ASN 1406 HD21 0.03 -0.02 0.03 -0.04 7.03 7.04 1syoB1 ASN 1406 HD22 0.04 0.02 0.06 -0.04 7.74 7.81 1syoB1 GLY 1407 H 0.09 0.29 -0.63 -0.55 8.43 7.64 1syoB1 GLY 1407 HA2 0.09 0.01 0.18 -0.51 4.01 3.78 1syoB1 GLY 1407 HA3 0.03 0.03 0.53 -0.51 4.01 4.09 1syoB1 ARG 1408 H 0.23 0.83 -0.21 -0.55 8.46 8.76 1syoB1 ARG 1408 HA 0.45 -0.10 0.45 -0.75 4.34 4.40 1syoB1 ARG 1408 HB2 0.27 0.08 0.20 -0.04 1.90 2.42 1syoB1 ARG 1408 HB3 0.40 0.00 0.04 -0.04 1.80 2.20 1syoB1 ARG 1408 HG2 0.30 -0.13 -0.00 -0.04 1.67 1.80 1syoB1 ARG 1408 HG3 0.25 0.05 0.06 -0.04 1.67 1.99 1syoB1 ARG 1408 HD2 0.23 -0.02 0.06 -0.04 3.22 3.45 1syoB1 ARG 1408 HD3 0.09 0.08 0.09 -0.04 3.22 3.44 1syoB1 GLY 1409 H 0.25 0.62 -0.26 -0.55 8.43 8.49 1syoB1 GLY 1409 HA2 0.21 -0.20 0.23 -0.51 4.01 3.74 1syoB1 GLY 1409 HA3 0.41 0.30 0.39 -0.51 4.01 4.60 1syoB1 ALA 1410 H -0.04 0.20 0.16 -0.55 8.40 8.17 1syoB1 ALA 1410 HA -0.63 0.16 0.51 -0.75 4.34 3.62 1syoB1 ALA 1410 HB3 -0.05 0.01 -0.03 -0.04 1.41 1.30 1syoB1 PRO 1411 HA -0.60 0.25 0.61 -0.51 4.44 4.19 1syoB1 PRO 1411 HB2 -0.33 -0.04 -0.14 -0.04 2.28 1.72 1syoB1 PRO 1411 HB3 -0.82 0.01 -0.05 -0.04 2.02 1.12 1syoB1 PRO 1411 HG2 -0.46 0.00 -0.12 -0.04 2.03 1.41 1syoB1 PRO 1411 HG3 -0.90 0.03 -0.07 -0.04 2.03 1.05 1syoB1 PRO 1411 HD2 -0.93 0.10 0.17 -0.04 3.68 2.98 1syoB1 PRO 1411 HD3 -3.55 0.17 0.06 -0.04 3.65 0.29 1syoB1 VAL 1412 H 0.01 0.45 0.30 -0.55 8.24 8.46 1syoB1 VAL 1412 HA 0.05 0.12 0.90 -0.75 4.13 4.44 1syoB1 VAL 1412 HB 0.01 -0.11 0.19 -0.04 2.12 2.17 1syoB1 VAL 1412 HG13 0.02 0.05 0.01 -0.04 0.97 1.01 1syoB1 VAL 1412 HG23 -0.03 0.04 -0.11 -0.04 0.95 0.80 1syoB1 PHE 1413 H 0.26 0.14 0.10 -0.55 8.34 8.28 1syoB1 PHE 1413 HA -0.52 0.06 0.54 -0.75 4.62 3.94 1syoB1 PHE 1413 HB2 -0.08 -0.03 -0.02 -0.04 3.15 2.98 1syoB1 PHE 1413 HB3 -0.02 0.16 0.03 -0.04 3.06 3.19 1syoB1 PHE 1413 HD2 -0.93 0.04 -0.13 -0.04 7.28 6.22 1syoB1 PHE 1413 HE2 -0.20 -0.04 -0.12 -0.04 7.38 6.97 1syoB1 PHE 1413 HZ 0.04 -0.07 -0.22 -0.04 7.32 7.03 1syoB1 THR 1414 H -0.96 0.66 0.49 -0.55 8.28 7.93 1syoB1 THR 1414 HA -0.29 0.21 1.06 -0.75 4.39 4.63 1syoB1 THR 1414 HB -0.21 -0.03 -0.00 -0.04 4.32 4.04 1syoB1 THR 1414 HG23 -0.09 0.03 -0.12 -0.04 1.22 0.99 1syoB1 GLY 1415 H -1.00 0.29 0.36 -0.55 8.43 7.55 1syoB1 GLY 1415 HA2 -0.45 0.01 0.44 -0.51 4.01 3.51 1syoB1 GLY 1415 HA3 -0.25 0.14 0.41 -0.51 4.01 3.80 1syoB1 GLU 1416 H 0.06 0.19 0.22 -0.55 8.60 8.52 1syoB1 GLU 1416 HA -0.01 0.40 1.12 -0.75 4.29 5.04 1syoB1 GLU 1416 HB2 0.31 -0.03 -0.04 -0.04 2.09 2.29 1syoB1 GLU 1416 HB3 0.11 -0.02 0.05 -0.04 1.99 2.09 1syoB1 GLU 1416 HG2 -0.18 -0.12 -0.18 -0.04 2.34 1.81 1syoB1 GLU 1416 HG3 -0.75 0.10 -0.20 -0.04 2.34 1.44 1syoB1 VAL 1417 H -0.07 0.58 0.16 -0.55 8.24 8.36 1syoB1 VAL 1417 HA -0.00 0.12 0.70 -0.75 4.13 4.19 1syoB1 VAL 1417 HB 0.15 0.03 0.09 -0.04 2.12 2.35 1syoB1 VAL 1417 HG13 -0.04 0.01 -0.09 -0.04 0.97 0.81 1syoB1 VAL 1417 HG23 0.01 0.01 -0.23 -0.04 0.95 0.70 1syoB1 ASP 1418 H -0.01 0.17 0.03 -0.55 8.40 8.03 1syoB1 ASP 1418 HA 0.02 -0.00 0.31 -0.75 4.63 4.21 1syoB1 ASP 1418 HB2 -0.10 0.15 -0.06 -0.04 2.71 2.66 1syoB1 ASP 1418 HB3 0.24 -0.02 0.10 -0.04 2.70 2.98 1syoB1 CYS 1419 H -0.14 0.01 -0.23 -0.55 8.50 7.59 1syoB1 CYS 1419 HA -0.33 -0.04 0.18 -0.75 4.58 3.65 1syoB1 CYS 1419 HB2 0.24 0.31 -0.05 -0.04 2.97 3.43 1syoB1 CYS 1419 HB3 0.26 0.02 0.13 -0.04 2.97 3.34 1syoB1 THR 1420 H -0.27 0.27 -0.27 -0.55 8.28 7.46 1syoB1 THR 1420 HA -0.05 0.28 0.97 -0.75 4.39 4.84 1syoB1 THR 1420 HB -0.19 0.00 0.12 -0.04 4.32 4.21 1syoB1 THR 1420 HG23 -0.63 -0.00 -0.21 -0.04 1.22 0.34 1syoB1 TYR 1421 H -0.02 0.70 0.36 -0.55 8.29 8.78 1syoB1 TYR 1421 HA -0.09 0.12 0.93 -0.75 4.56 4.76 1syoB1 TYR 1421 HB2 0.13 0.03 0.09 -0.04 3.06 3.27 1syoB1 TYR 1421 HB3 -0.17 -0.02 -0.06 -0.04 2.98 2.68 1syoB1 TYR 1421 HD2 0.09 0.13 -0.12 -0.04 7.15 7.21 1syoB1 TYR 1421 HE2 0.06 0.01 -0.11 -0.04 6.85 6.77 1syoB1 PHE 1422 H -0.17 0.61 0.39 -0.55 8.34 8.61 1syoB1 PHE 1422 HA 0.02 0.34 1.18 -0.75 4.62 5.41 1syoB1 PHE 1422 HB2 -0.29 -0.03 0.23 -0.04 3.15 3.01 1syoB1 PHE 1422 HB3 -0.14 0.03 0.03 -0.04 3.06 2.94 1syoB1 PHE 1422 HD2 -0.08 0.09 -0.07 -0.04 7.28 7.19 1syoB1 PHE 1422 HE2 -0.05 -0.01 -0.11 -0.04 7.38 7.18 1syoB1 PHE 1422 HZ -0.05 0.01 -0.10 -0.04 7.32 7.14 1syoB1 PHE 1423 H 0.33 0.66 0.46 -0.55 8.34 9.23 1syoB1 PHE 1423 HA -0.03 0.22 1.13 -0.75 4.62 5.18 1syoB1 PHE 1423 HB2 0.06 -0.04 -0.06 -0.04 3.15 3.06 1syoB1 PHE 1423 HB3 -0.01 0.00 -0.10 -0.04 3.06 2.91 1syoB1 PHE 1423 HD2 0.05 0.05 -0.35 -0.04 7.28 6.99 1syoB1 PHE 1423 HE2 -0.02 0.01 -0.20 -0.04 7.38 7.14 1syoB1 PHE 1423 HZ -0.44 -0.03 -0.21 -0.04 7.32 6.60 1syoB1 THR 1424 H 0.11 0.66 0.37 -0.55 8.28 8.87 1syoB1 THR 1424 HA 0.07 0.29 0.98 -0.75 4.39 4.97 1syoB1 THR 1424 HB 0.02 0.04 0.14 -0.04 4.32 4.49 1syoB1 THR 1424 HG23 0.05 -0.01 -0.12 -0.04 1.22 1.11 1syoB1 TRP 1425 H 0.08 0.49 0.08 -0.55 7.97 8.07 1syoB1 TRP 1425 HA -0.09 0.19 0.65 -0.75 4.62 4.62 1syoB1 TRP 1425 HB2 -0.46 -0.05 -0.45 -0.04 3.23 2.23 1syoB1 TRP 1425 HB3 -1.01 -0.05 -0.06 -0.04 3.23 2.07 1syoB1 TRP 1425 HD1 0.02 0.10 -0.59 -0.04 7.22 6.71 1syoB1 TRP 1425 HE1 0.02 0.51 -0.17 -0.04 10.20 10.52 1syoB1 TRP 1425 HE3 -0.38 -0.08 -0.19 -0.04 7.59 6.90 1syoB1 TRP 1425 HZ2 -0.64 0.17 -0.11 -0.04 7.44 6.82 1syoB1 TRP 1425 HZ3 -0.14 -0.06 -0.15 -0.04 7.13 6.73 1syoB1 TRP 1425 HH2 -0.63 0.04 -0.10 -0.04 7.19 6.46 1syoB1 ASP 1426 H 0.23 0.18 0.06 -0.55 8.40 8.32 1syoB1 ASP 1426 HA 0.19 0.23 0.73 -0.75 4.63 5.03 1syoB1 ASP 1426 HB2 0.14 -0.04 0.15 -0.04 2.71 2.93 1syoB1 ASP 1426 HB3 0.13 -0.01 -0.07 -0.04 2.70 2.71 1syoB1 THR 1427 H 0.19 0.72 0.35 -0.55 8.28 8.99 1syoB1 THR 1427 HA 0.21 0.20 0.56 -0.75 4.39 4.61 1syoB1 THR 1427 HB 0.26 0.18 -0.38 -0.04 4.32 4.34 1syoB1 THR 1427 HG23 0.11 -0.03 -0.25 -0.04 1.22 1.00 1syoB1 LYS 1428 H 0.06 0.68 0.28 -0.55 8.42 8.89 1syoB1 LYS 1428 HA -0.03 -0.14 0.38 -0.75 4.32 3.77 1syoB1 LYS 1428 HB2 -0.17 -0.07 0.10 -0.04 1.87 1.70 1syoB1 LYS 1428 HB3 -0.08 0.15 0.24 -0.04 1.79 2.07 1syoB1 LYS 1428 HG2 -0.22 0.20 0.15 -0.04 1.46 1.54 1syoB1 LYS 1428 HG3 -0.85 -0.05 -0.02 -0.04 1.46 0.50 1syoB1 LYS 1428 HD2 -0.26 -0.10 0.03 -0.04 1.69 1.32 1syoB1 LYS 1428 HD3 -0.13 0.09 0.07 -0.04 1.68 1.68 1syoB1 LYS 1428 HE2 -0.17 0.23 0.13 -0.04 2.99 3.14 1syoB1 LYS 1428 HE3 -0.67 -0.10 0.02 -0.04 2.99 2.20 1syoB1 TYR 1429 H -0.02 0.23 -0.05 -0.55 8.29 7.90 1syoB1 TYR 1429 HA -0.07 0.08 0.30 -0.75 4.56 4.11 1syoB1 TYR 1429 HB2 -0.17 0.02 -0.04 -0.04 3.06 2.83 1syoB1 TYR 1429 HB3 -0.17 0.04 0.11 -0.04 2.98 2.92 1syoB1 TYR 1429 HD2 -0.04 0.05 0.04 -0.04 7.15 7.16 1syoB1 TYR 1429 HE2 0.02 0.02 -0.07 -0.04 6.85 6.78 1syoB1 ALA 1430 H 0.01 0.14 -1.40 -0.55 8.40 6.61 1syoB1 ALA 1430 HA -0.09 0.16 0.70 -0.75 4.34 4.37 1syoB1 ALA 1430 HB3 0.10 0.04 -0.27 -0.04 1.41 1.24 1syoB1 CYS 1431 H -0.04 0.68 0.05 -0.55 8.50 8.64 1syoB1 CYS 1431 HA 0.00 0.02 0.78 -0.75 4.58 4.63 1syoB1 CYS 1431 HB2 -0.04 0.07 0.15 -0.04 2.97 3.11 1syoB1 CYS 1431 HB3 -0.02 0.01 0.06 -0.04 2.97 2.98 1syoB1 VAL 1432 H -0.03 0.07 0.03 -0.55 8.24 7.77 1syoB1 VAL 1432 HA -0.14 0.21 0.20 -0.75 4.13 3.64 1syoB1 VAL 1432 HB -0.04 -0.02 0.06 -0.04 2.12 2.08 1syoB1 VAL 1432 HG13 -0.14 -0.00 0.01 -0.04 0.97 0.80 1syoB1 VAL 1432 HG23 -0.16 0.02 -0.06 -0.04 0.95 0.70