============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 1 0.900 56.759 -80.307 -21.778 -99.200 -91.000 PHE 42 1.000 73.991 -51.912 -5.550 -99.200 -91.000 PHE 45 1.000 66.090 -48.229 -8.170 -99.200 -91.000 TYR 59 0.840 71.977 -59.970 -7.358 -99.200 -91.000 HIS 75 0.900 65.434 -82.567 -12.766 -99.200 -91.000 PHE 76 1.000 73.660 -88.859 -10.770 -99.200 -91.000 PHE 93 1.000 75.639 -83.735 -12.948 -99.200 -91.000 PHE 106 1.000 70.946 -82.510 -16.792 -99.200 -91.000 PHE 110 1.000 75.654 -92.898 -13.888 -99.200 -91.000 TYR 113 0.840 79.498 -99.898 -6.510 -99.200 -91.000 TRP 149 1.040 66.776-130.531 13.045 -99.200 -91.000 TRP6 149 1.020 64.665-130.517 11.980 -99.200 -91.000 PHE 166 1.000 68.367-138.606 -3.719 -99.200 -91.000 PHE 175 1.000 68.556-139.731 -12.727 -99.200 -91.000 PHE 183 1.000 69.218-134.076 -0.274 -99.200 -91.000 PHE 196 1.000 63.262-137.108 -4.051 -99.200 -91.000 PHE 209 1.000 59.523-145.681 0.060 -99.200 -91.000 PHE 215 1.000 64.549-135.332 -13.015 -99.200 -91.000 TYR 219 0.840 66.722-130.740 -12.700 -99.200 -91.000 HIS 220 0.900 71.228-128.481 -13.650 -99.200 -91.000 PHE 231 1.000 65.045-139.466 -7.967 -99.200 -91.000 PHE 250 1.000 65.665-117.729 23.644 -99.200 -91.000 PHE 254 1.000 70.639-112.324 24.058 -99.200 -91.000 PHE 320 1.000 74.914 -92.225 -5.673 -99.200 -91.000 PHE 335 1.000 71.921 -98.250 -1.402 -99.200 -91.000 HIS 356 0.900 92.547-120.403 13.473 -99.200 -91.000 TYR 376 0.840 83.921 -99.207 -9.142 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1t11A1 HIS 0 HA -0.01 0.02 0.17 -0.75 4.63 4.05 1t11A1 HIS 0 HB2 -0.01 0.01 0.11 -0.04 3.26 3.33 1t11A1 HIS 0 HB3 -0.01 -0.00 0.07 -0.04 3.20 3.22 1t11A1 HIS 0 HD2 -0.00 0.02 0.02 -0.04 6.97 6.96 1t11A1 HIS 0 HE1 -0.00 -0.07 0.02 -0.04 7.75 7.65 1t11A1 MET 1 H -0.06 0.12 0.15 -0.55 8.47 8.12 1t11A1 MET 1 HA -0.09 0.09 0.68 -0.75 4.52 4.44 1t11A1 MET 1 HB2 -0.14 -0.07 0.17 -0.04 2.15 2.08 1t11A1 MET 1 HB3 -0.08 -0.04 0.13 -0.04 2.03 2.00 1t11A1 MET 1 HG2 -0.13 -0.07 -0.14 -0.04 2.63 2.25 1t11A1 MET 1 HG3 -0.15 0.72 0.36 -0.04 2.56 3.44 1t11A1 MET 1 HE3 -0.07 -0.01 0.00 -0.04 2.10 1.99 1t11A1 GLN 2 H -0.06 0.32 0.31 -0.55 8.47 8.49 1t11A1 GLN 2 HA -0.03 0.21 1.10 -0.75 4.36 4.89 1t11A1 GLN 2 HB2 -0.03 -0.07 0.11 -0.04 2.15 2.12 1t11A1 GLN 2 HB3 -0.02 0.01 -0.02 -0.04 2.02 1.95 1t11A1 GLN 2 HG2 0.02 0.04 -0.19 -0.04 2.40 2.23 1t11A1 GLN 2 HG3 0.01 -0.03 -0.08 -0.04 2.39 2.24 1t11A1 GLN 2 HE21 0.00 -0.01 -0.01 -0.04 6.97 6.92 1t11A1 GLN 2 HE22 -0.01 -0.05 0.01 -0.04 7.69 7.60 1t11A1 VAL 3 H -0.03 0.25 0.15 -0.55 8.24 8.06 1t11A1 VAL 3 HA -0.07 0.34 1.16 -0.75 4.13 4.81 1t11A1 VAL 3 HB -0.03 -0.00 0.13 -0.04 2.12 2.18 1t11A1 VAL 3 HG13 -0.02 0.00 -0.10 -0.04 0.97 0.81 1t11A1 VAL 3 HG23 -0.06 -0.01 -0.23 -0.04 0.95 0.62 1t11A1 THR 4 H -0.05 0.49 0.33 -0.55 8.28 8.50 1t11A1 THR 4 HA -0.02 0.22 1.08 -0.75 4.39 4.92 1t11A1 THR 4 HB -0.02 0.06 0.05 -0.04 4.32 4.37 1t11A1 THR 4 HG23 -0.02 -0.01 -0.13 -0.04 1.22 1.02 1t11A1 VAL 5 H -0.02 0.20 0.21 -0.55 8.24 8.09 1t11A1 VAL 5 HA -0.01 0.25 1.02 -0.75 4.13 4.63 1t11A1 VAL 5 HB -0.01 -0.01 -0.05 -0.04 2.12 2.00 1t11A1 VAL 5 HG13 0.01 -0.00 -0.09 -0.04 0.97 0.85 1t11A1 VAL 5 HG23 -0.00 0.01 -0.05 -0.04 0.95 0.87 1t11A1 GLU 6 H -0.05 0.42 0.26 -0.55 8.60 8.68 1t11A1 GLU 6 HA -0.03 0.14 0.98 -0.75 4.29 4.62 1t11A1 GLU 6 HB2 -0.03 -0.01 -0.18 -0.04 2.09 1.82 1t11A1 GLU 6 HB3 -0.05 -0.01 0.11 -0.04 1.99 2.00 1t11A1 GLU 6 HG2 -0.04 0.08 -0.30 -0.04 2.34 2.04 1t11A1 GLU 6 HG3 -0.03 0.01 0.00 -0.04 2.34 2.28 1t11A1 THR 7 H -0.04 0.15 0.14 -0.55 8.28 7.99 1t11A1 THR 7 HA -0.07 0.10 0.71 -0.75 4.39 4.38 1t11A1 THR 7 HB -0.03 -0.07 0.19 -0.04 4.32 4.38 1t11A1 THR 7 HG23 -0.03 0.05 -0.08 -0.04 1.22 1.12 1t11A1 LEU 8 H -0.08 0.56 0.19 -0.55 8.37 8.50 1t11A1 LEU 8 HA -0.04 0.12 0.70 -0.75 4.35 4.38 1t11A1 LEU 8 HB2 -0.07 0.08 -0.07 -0.04 1.64 1.53 1t11A1 LEU 8 HB3 -0.05 -0.19 0.14 -0.04 1.64 1.50 1t11A1 LEU 8 HG -0.09 0.08 -0.29 -0.04 1.64 1.31 1t11A1 LEU 8 HD13 -0.10 -0.02 -0.21 -0.04 0.93 0.56 1t11A1 LEU 8 HD23 -0.05 0.00 -0.13 -0.04 0.89 0.67 1t11A1 GLU 9 H -0.03 0.06 0.11 -0.55 8.60 8.19 1t11A1 GLU 9 HA -0.02 0.09 0.55 -0.75 4.29 4.16 1t11A1 GLU 9 HB2 -0.02 -0.02 0.14 -0.04 2.09 2.15 1t11A1 GLU 9 HB3 -0.01 0.01 0.01 -0.04 1.99 1.96 1t11A1 GLU 9 HG2 -0.02 -0.02 0.03 -0.04 2.34 2.29 1t11A1 GLU 9 HG3 -0.01 0.00 0.03 -0.04 2.34 2.32 1t11A1 GLY 10 H -0.00 0.12 0.19 -0.55 8.43 8.19 1t11A1 GLY 10 HA2 0.01 0.04 0.37 -0.51 4.01 3.92 1t11A1 GLY 10 HA3 0.01 -0.03 0.43 -0.51 4.01 3.91 1t11A1 LEU 11 H 0.03 0.10 0.20 -0.55 8.37 8.15 1t11A1 LEU 11 HA 0.01 0.20 0.66 -0.75 4.35 4.47 1t11A1 LEU 11 HB2 0.08 -0.06 0.14 -0.04 1.64 1.76 1t11A1 LEU 11 HB3 0.04 0.17 0.31 -0.04 1.64 2.12 1t11A1 LEU 11 HG 0.07 -0.13 0.03 -0.04 1.64 1.56 1t11A1 LEU 11 HD13 0.19 0.03 0.06 -0.04 0.93 1.18 1t11A1 LEU 11 HD23 0.06 0.05 -0.14 -0.04 0.89 0.82 1t11A1 GLN 12 H -0.03 0.40 -0.44 -0.55 8.47 7.86 1t11A1 GLN 12 HA -0.11 0.20 0.80 -0.75 4.36 4.49 1t11A1 GLN 12 HB2 -0.06 0.10 0.08 -0.04 2.15 2.23 1t11A1 GLN 12 HB3 -0.10 -0.03 -0.02 -0.04 2.02 1.83 1t11A1 GLN 12 HG2 -0.02 -0.07 -0.06 -0.04 2.40 2.21 1t11A1 GLN 12 HG3 -0.03 -0.04 0.02 -0.04 2.39 2.30 1t11A1 GLN 12 HE21 -0.05 -0.01 -0.04 -0.04 6.97 6.83 1t11A1 GLN 12 HE22 -0.06 -0.05 -0.02 -0.04 7.69 7.52 1t11A1 ARG 13 H -0.41 0.75 0.48 -0.55 8.46 8.74 1t11A1 ARG 13 HA -0.21 0.16 0.96 -0.75 4.34 4.49 1t11A1 ARG 13 HB2 -0.91 -0.01 -0.08 -0.04 1.90 0.86 1t11A1 ARG 13 HB3 -0.29 -0.04 -0.03 -0.04 1.80 1.40 1t11A1 ARG 13 HG2 -0.14 0.02 -0.53 -0.04 1.67 0.97 1t11A1 ARG 13 HG3 -0.06 -0.01 -0.19 -0.04 1.67 1.37 1t11A1 ARG 13 HD2 -0.08 -0.06 -0.08 -0.04 3.22 2.95 1t11A1 ARG 13 HD3 -0.10 0.22 0.07 -0.04 3.22 3.36 1t11A1 ARG 14 H -0.18 0.46 0.29 -0.55 8.46 8.48 1t11A1 ARG 14 HA -0.22 0.30 1.08 -0.75 4.34 4.76 1t11A1 ARG 14 HB2 -0.12 -0.01 -0.16 -0.04 1.90 1.57 1t11A1 ARG 14 HB3 -0.08 -0.01 0.06 -0.04 1.80 1.72 1t11A1 ARG 14 HG2 -0.04 0.01 -0.39 -0.04 1.67 1.21 1t11A1 ARG 14 HG3 -0.04 -0.01 -0.12 -0.04 1.67 1.46 1t11A1 ARG 14 HD2 -0.02 -0.02 -0.10 -0.04 3.22 3.04 1t11A1 ARG 14 HD3 -0.04 -0.01 -0.08 -0.04 3.22 3.04 1t11A1 LEU 15 H 0.05 0.65 0.34 -0.55 8.37 8.86 1t11A1 LEU 15 HA 0.02 0.29 0.95 -0.75 4.35 4.86 1t11A1 LEU 15 HB2 0.25 -0.05 0.20 -0.04 1.64 2.00 1t11A1 LEU 15 HB3 0.10 0.02 -0.02 -0.04 1.64 1.69 1t11A1 LEU 15 HG 0.39 -0.02 -0.09 -0.04 1.64 1.88 1t11A1 LEU 15 HD13 0.31 -0.00 -0.07 -0.04 0.93 1.13 1t11A1 LEU 15 HD23 0.08 0.02 -0.12 -0.04 0.89 0.82 1t11A1 ASN 16 H -0.04 0.59 0.34 -0.55 8.53 8.87 1t11A1 ASN 16 HA -0.10 0.17 0.94 -0.75 4.76 5.01 1t11A1 ASN 16 HB2 -0.04 0.02 -0.01 -0.04 2.88 2.80 1t11A1 ASN 16 HB3 -0.06 -0.07 0.15 -0.04 2.79 2.77 1t11A1 ASN 16 HD21 -0.04 -0.04 -0.12 -0.04 7.03 6.78 1t11A1 ASN 16 HD22 -0.07 -0.01 -0.24 -0.04 7.74 7.38 1t11A1 ILE 17 H -0.45 0.77 0.34 -0.55 8.25 8.35 1t11A1 ILE 17 HA -0.20 0.36 1.28 -0.75 4.18 4.86 1t11A1 ILE 17 HB -1.44 -0.03 0.04 -0.04 1.89 0.41 1t11A1 ILE 17 HG12 -0.12 0.07 -0.22 -0.04 1.49 1.18 1t11A1 ILE 17 HG13 -0.26 -0.06 -0.43 -0.04 1.21 0.42 1t11A1 ILE 17 HG23 -0.14 -0.01 -0.18 -0.04 0.93 0.57 1t11A1 ILE 17 HD13 0.14 0.00 -0.22 -0.04 0.88 0.76 1t11A1 THR 18 H -0.13 0.61 0.38 -0.55 8.28 8.59 1t11A1 THR 18 HA -0.04 0.39 1.20 -0.75 4.39 5.18 1t11A1 THR 18 HB -0.04 -0.12 0.25 -0.04 4.32 4.37 1t11A1 THR 18 HG23 0.00 -0.01 -0.17 -0.04 1.22 0.99 1t11A1 VAL 19 H 0.03 0.92 0.34 -0.55 8.24 8.98 1t11A1 VAL 19 HA -0.11 0.24 1.06 -0.75 4.13 4.57 1t11A1 VAL 19 HB 0.07 -0.09 0.12 -0.04 2.12 2.18 1t11A1 VAL 19 HG13 0.01 0.01 -0.11 -0.04 0.97 0.83 1t11A1 VAL 19 HG23 0.02 0.03 -0.24 -0.04 0.95 0.72 1t11A1 PRO 20 HA -0.03 0.01 0.42 -0.51 4.44 4.33 1t11A1 PRO 20 HB2 -0.23 -0.09 0.03 -0.04 2.28 1.96 1t11A1 PRO 20 HB3 -0.64 0.20 0.03 -0.04 2.02 1.58 1t11A1 PRO 20 HG2 -0.13 -0.14 0.11 -0.04 2.03 1.84 1t11A1 PRO 20 HG3 -0.28 0.18 0.02 -0.04 2.03 1.91 1t11A1 PRO 20 HD2 -0.13 0.10 0.24 -0.04 3.68 3.85 1t11A1 PRO 20 HD3 -0.19 0.25 0.08 -0.04 3.65 3.76 1t11A1 ALA 21 H 0.02 0.17 0.14 -0.55 8.40 8.18 1t11A1 ALA 21 HA 0.01 0.15 0.34 -0.75 4.34 4.09 1t11A1 ALA 21 HB3 0.03 -0.03 -0.26 -0.04 1.41 1.11 1t11A1 ALA 22 H 0.01 0.11 -0.36 -0.55 8.40 7.61 1t11A1 ALA 22 HA 0.01 0.01 0.38 -0.75 4.34 3.99 1t11A1 ALA 22 HB3 0.01 0.03 0.01 -0.04 1.41 1.42 1t11A1 ASN 23 H -0.02 0.65 -0.14 -0.55 8.53 8.48 1t11A1 ASN 23 HA 0.00 0.04 0.44 -0.75 4.76 4.48 1t11A1 ASN 23 HB2 -0.01 0.17 0.04 -0.04 2.88 3.04 1t11A1 ASN 23 HB3 0.03 -0.02 -0.07 -0.04 2.79 2.70 1t11A1 ASN 23 HD21 -0.02 0.03 0.02 -0.04 7.03 7.01 1t11A1 ASN 23 HD22 0.04 -0.00 -0.01 -0.04 7.74 7.73 1t11A1 ILE 24 H 0.01 0.28 -0.24 -0.55 8.25 7.75 1t11A1 ILE 24 HA 0.01 0.06 0.42 -0.75 4.18 3.92 1t11A1 ILE 24 HB 0.01 0.11 0.14 -0.04 1.89 2.11 1t11A1 ILE 24 HG12 0.02 0.04 -0.07 -0.04 1.49 1.44 1t11A1 ILE 24 HG13 0.02 0.03 -0.01 -0.04 1.21 1.22 1t11A1 ILE 24 HG23 0.00 -0.01 -0.14 -0.04 0.93 0.74 1t11A1 ILE 24 HD13 0.04 -0.01 -0.14 -0.04 0.88 0.73 1t11A1 GLU 25 H 0.01 0.70 0.12 -0.55 8.60 8.88 1t11A1 GLU 25 HA 0.00 -0.00 0.37 -0.75 4.29 3.91 1t11A1 GLU 25 HB2 0.01 0.03 0.05 -0.04 2.09 2.14 1t11A1 GLU 25 HB3 0.01 -0.03 0.04 -0.04 1.99 1.97 1t11A1 GLU 25 HG2 0.01 0.45 0.04 -0.04 2.34 2.79 1t11A1 GLU 25 HG3 0.01 -0.02 -0.05 -0.04 2.34 2.24 1t11A1 ASP 26 H 0.00 0.51 -0.35 -0.55 8.40 8.01 1t11A1 ASP 26 HA 0.00 -0.00 0.44 -0.75 4.63 4.32 1t11A1 ASP 26 HB2 0.00 0.19 0.16 -0.04 2.71 3.03 1t11A1 ASP 26 HB3 0.00 -0.06 -0.00 -0.04 2.70 2.60 1t11A1 ALA 27 H 0.00 0.47 -0.07 -0.55 8.40 8.26 1t11A1 ALA 27 HA -0.01 -0.02 0.40 -0.75 4.34 3.96 1t11A1 ALA 27 HB3 -0.01 0.04 0.13 -0.04 1.41 1.53 1t11A1 VAL 28 H -0.00 0.64 -0.23 -0.55 8.24 8.09 1t11A1 VAL 28 HA -0.01 0.01 0.34 -0.75 4.13 3.72 1t11A1 VAL 28 HB -0.00 0.14 0.10 -0.04 2.12 2.32 1t11A1 VAL 28 HG13 0.00 -0.03 -0.07 -0.04 0.97 0.83 1t11A1 VAL 28 HG23 -0.00 0.10 -0.04 -0.04 0.95 0.97 1t11A1 ALA 29 H -0.00 0.48 -0.23 -0.55 8.40 8.11 1t11A1 ALA 29 HA -0.00 -0.04 0.44 -0.75 4.34 3.98 1t11A1 ALA 29 HB3 -0.00 0.04 0.17 -0.04 1.41 1.57 1t11A1 ALA 30 H -0.01 0.75 0.09 -0.55 8.40 8.68 1t11A1 ALA 30 HA -0.01 -0.02 0.37 -0.75 4.34 3.92 1t11A1 ALA 30 HB3 -0.01 0.02 0.07 -0.04 1.41 1.45 1t11A1 GLU 31 H -0.02 0.53 -0.23 -0.55 8.60 8.33 1t11A1 GLU 31 HA -0.04 0.03 0.38 -0.75 4.29 3.91 1t11A1 GLU 31 HB2 -0.03 0.04 0.10 -0.04 2.09 2.16 1t11A1 GLU 31 HB3 -0.03 0.07 0.08 -0.04 1.99 2.08 1t11A1 GLU 31 HG2 -0.04 -0.02 -0.01 -0.04 2.34 2.23 1t11A1 GLU 31 HG3 -0.07 -0.02 -0.14 -0.04 2.34 2.07 1t11A1 LEU 32 H -0.01 0.54 -0.15 -0.55 8.37 8.20 1t11A1 LEU 32 HA -0.02 -0.01 0.39 -0.75 4.35 3.95 1t11A1 LEU 32 HB2 -0.00 0.12 0.23 -0.04 1.64 1.95 1t11A1 LEU 32 HB3 0.01 -0.11 -0.04 -0.04 1.64 1.46 1t11A1 LEU 32 HG 0.01 0.25 0.07 -0.04 1.64 1.92 1t11A1 LEU 32 HD13 0.01 -0.04 -0.07 -0.04 0.93 0.79 1t11A1 LEU 32 HD23 0.06 -0.02 -0.16 -0.04 0.89 0.72 1t11A1 ARG 33 H -0.01 0.91 0.01 -0.55 8.46 8.82 1t11A1 ARG 33 HA -0.01 -0.05 0.39 -0.75 4.34 3.92 1t11A1 ARG 33 HB2 -0.01 0.13 0.15 -0.04 1.90 2.12 1t11A1 ARG 33 HB3 -0.01 -0.03 -0.03 -0.04 1.80 1.69 1t11A1 ARG 33 HG2 -0.01 -0.05 0.01 -0.04 1.67 1.58 1t11A1 ARG 33 HG3 -0.01 -0.01 0.02 -0.04 1.67 1.64 1t11A1 ARG 33 HD2 -0.00 -0.05 -0.05 -0.04 3.22 3.07 1t11A1 ARG 33 HD3 -0.01 -0.01 -0.25 -0.04 3.22 2.91 1t11A1 ASN 34 H -0.03 0.70 -0.21 -0.55 8.53 8.45 1t11A1 ASN 34 HA -0.02 0.01 0.30 -0.75 4.76 4.30 1t11A1 ASN 34 HB2 -0.03 0.03 0.10 -0.04 2.88 2.95 1t11A1 ASN 34 HB3 -0.04 0.07 0.08 -0.04 2.79 2.86 1t11A1 ASN 34 HD21 -0.03 -0.04 0.01 -0.04 7.03 6.92 1t11A1 ASN 34 HD22 -0.05 0.02 -0.06 -0.04 7.74 7.61 1t11A1 ILE 35 H -0.05 0.41 -0.70 -0.55 8.25 7.36 1t11A1 ILE 35 HA -0.10 0.12 0.79 -0.75 4.18 4.24 1t11A1 ILE 35 HB -0.10 0.13 0.20 -0.04 1.89 2.08 1t11A1 ILE 35 HG12 -0.22 -0.05 -0.03 -0.04 1.49 1.15 1t11A1 ILE 35 HG13 -0.13 0.37 -0.05 -0.04 1.21 1.36 1t11A1 ILE 35 HG23 -0.31 -0.03 -0.14 -0.04 0.93 0.41 1t11A1 ILE 35 HD13 -0.41 -0.04 -0.05 -0.04 0.88 0.34 1t11A1 ALA 36 H -0.02 0.44 0.14 -0.55 8.40 8.41 1t11A1 ALA 36 HA 0.01 0.13 0.51 -0.75 4.34 4.24 1t11A1 ALA 36 HB3 -0.01 -0.04 0.15 -0.04 1.41 1.47 1t11A1 LYS 37 H -0.02 0.14 -0.88 -0.55 8.42 7.11 1t11A1 LYS 37 HA 0.00 0.15 0.73 -0.75 4.32 4.45 1t11A1 LYS 37 HB2 -0.01 -0.03 -0.09 -0.04 1.87 1.71 1t11A1 LYS 37 HB3 -0.01 0.04 0.03 -0.04 1.79 1.81 1t11A1 LYS 37 HG2 -0.00 0.01 0.12 -0.04 1.46 1.55 1t11A1 LYS 37 HG3 0.00 -0.02 0.04 -0.04 1.46 1.44 1t11A1 LYS 37 HD2 -0.00 -0.03 -0.02 -0.04 1.69 1.59 1t11A1 LYS 37 HD3 -0.01 0.00 -0.02 -0.04 1.68 1.62 1t11A1 LYS 37 HE2 -0.00 0.01 0.01 -0.04 2.99 2.97 1t11A1 LYS 37 HE3 0.00 -0.02 0.00 -0.04 2.99 2.93 1t11A1 ASN 38 H -0.00 0.13 -0.20 -0.55 8.53 7.92 1t11A1 ASN 38 HA -0.00 0.05 0.57 -0.75 4.76 4.62 1t11A1 ASN 38 HB2 -0.02 0.12 -0.06 -0.04 2.88 2.87 1t11A1 ASN 38 HB3 -0.04 0.07 0.08 -0.04 2.79 2.87 1t11A1 ASN 38 HD21 -0.03 -0.09 -0.03 -0.04 7.03 6.85 1t11A1 ASN 38 HD22 -0.04 0.03 -0.06 -0.04 7.74 7.62 1t11A1 ARG 39 H -0.00 0.42 0.24 -0.55 8.46 8.57 1t11A1 ARG 39 HA 0.03 0.13 0.85 -0.75 4.34 4.60 1t11A1 ARG 39 HB2 0.04 -0.01 0.07 -0.04 1.90 1.96 1t11A1 ARG 39 HB3 -0.00 0.01 -0.09 -0.04 1.80 1.68 1t11A1 ARG 39 HG2 -0.05 0.14 0.10 -0.04 1.67 1.82 1t11A1 ARG 39 HG3 0.03 -0.03 -0.19 -0.04 1.67 1.43 1t11A1 ARG 39 HD2 -0.07 -0.00 -0.03 -0.04 3.22 3.06 1t11A1 ARG 39 HD3 -0.18 -0.05 -0.06 -0.04 3.22 2.90 1t11A1 ARG 40 H 0.07 0.15 0.18 -0.55 8.46 8.31 1t11A1 ARG 40 HA 0.12 0.23 0.90 -0.75 4.34 4.83 1t11A1 PHE 41 H 0.25 0.20 0.15 -0.55 8.34 8.38 1t11A1 PHE 41 HA 0.07 0.21 0.90 -0.75 4.62 5.03 1t11A1 PHE 41 HB2 0.09 0.04 -0.10 -0.04 3.15 3.15 1t11A1 PHE 41 HB3 0.10 -0.03 -0.04 -0.04 3.06 3.05 1t11A1 PHE 41 HD2 0.07 0.02 -0.01 -0.04 7.28 7.32 1t11A1 PHE 41 HE2 0.03 0.01 0.02 -0.04 7.38 7.40 1t11A1 PHE 41 HZ 0.02 0.00 0.03 -0.04 7.32 7.32 1t11A1 ASP 42 H -1.26 0.15 0.10 -0.55 8.40 6.84 1t11A1 ASP 42 HA -0.23 0.06 0.47 -0.75 4.63 4.18 1t11A1 GLY 43 H -0.07 0.28 0.26 -0.55 8.43 8.36 1t11A1 GLY 43 HA2 -0.16 0.00 0.37 -0.51 4.01 3.71 1t11A1 GLY 43 HA3 0.04 0.06 0.43 -0.51 4.01 4.04 1t11A1 PHE 44 H 0.27 0.36 0.20 -0.55 8.34 8.61 1t11A1 PHE 44 HA 0.00 0.16 1.01 -0.75 4.62 5.04 1t11A1 PHE 44 HB2 0.05 0.04 0.09 -0.04 3.15 3.28 1t11A1 PHE 44 HB3 0.03 0.07 0.17 -0.04 3.06 3.29 1t11A1 PHE 44 HD2 0.04 -0.02 -0.06 -0.04 7.28 7.20 1t11A1 PHE 44 HE2 0.04 -0.01 -0.01 -0.04 7.38 7.35 1t11A1 PHE 44 HZ 0.03 -0.03 0.01 -0.04 7.32 7.28 1t11A1 ARG 45 H 0.14 0.09 0.17 -0.55 8.46 8.30 1t11A1 ARG 45 HA 0.04 0.04 0.38 -0.75 4.34 4.05 1t11A1 LYS 46 H 0.04 0.09 0.14 -0.55 8.42 8.14 1t11A1 LYS 46 HA 0.05 0.09 0.37 -0.75 4.32 4.08 1t11A1 LYS 46 HB2 0.03 -0.04 0.06 -0.04 1.87 1.87 1t11A1 LYS 46 HB3 0.03 0.05 0.14 -0.04 1.79 1.97 1t11A1 LYS 46 HG2 0.02 -0.06 0.09 -0.04 1.46 1.47 1t11A1 LYS 46 HG3 0.02 -0.00 0.04 -0.04 1.46 1.48 1t11A1 LYS 46 HD2 0.04 0.04 -0.00 -0.04 1.69 1.73 1t11A1 LYS 46 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.64 1t11A1 LYS 46 HE2 0.03 0.04 0.04 -0.04 2.99 3.06 1t11A1 LYS 46 HE3 0.03 -0.01 0.03 -0.04 2.99 3.00 1t11A1 GLY 47 H 0.06 -0.14 -1.46 -0.55 8.43 6.35 1t11A1 GLY 47 HA2 0.03 0.22 0.78 -0.51 4.01 4.53 1t11A1 GLY 47 HA3 0.04 -0.14 0.26 -0.51 4.01 3.66 1t11A1 LYS 48 H 0.03 -0.00 0.11 -0.55 8.42 8.00 1t11A1 LYS 48 HA 0.00 0.16 0.41 -0.75 4.32 4.14 1t11A1 LYS 48 HB2 -0.00 0.03 0.07 -0.04 1.87 1.93 1t11A1 LYS 48 HB3 0.01 0.01 0.13 -0.04 1.79 1.91 1t11A1 LYS 48 HG2 0.03 -0.09 0.09 -0.04 1.46 1.46 1t11A1 LYS 48 HG3 0.03 -0.01 -0.10 -0.04 1.46 1.34 1t11A1 LYS 48 HD2 0.02 0.01 0.03 -0.04 1.69 1.71 1t11A1 LYS 48 HD3 0.02 -0.02 0.00 -0.04 1.68 1.64 1t11A1 LYS 48 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.90 1t11A1 LYS 48 HE3 0.00 0.04 0.00 -0.04 2.99 3.00 1t11A1 VAL 49 H -0.05 0.17 0.23 -0.55 8.24 8.04 1t11A1 VAL 49 HA -0.25 0.16 0.84 -0.75 4.13 4.12 1t11A1 VAL 49 HB -0.45 -0.07 0.17 -0.04 2.12 1.72 1t11A1 VAL 49 HG13 -0.00 0.06 -0.09 -0.04 0.97 0.90 1t11A1 VAL 49 HG23 -0.07 0.01 0.00 -0.04 0.95 0.85 1t11A1 PRO 50 HA -0.10 0.08 0.48 -0.51 4.44 4.38 1t11A1 PRO 50 HB2 -0.17 -0.20 0.10 -0.04 2.28 1.97 1t11A1 PRO 50 HB3 -0.08 0.06 0.12 -0.04 2.02 2.07 1t11A1 PRO 50 HG2 -0.40 0.09 0.09 -0.04 2.03 1.77 1t11A1 PRO 50 HG3 -0.21 0.10 0.09 -0.04 2.03 1.97 1t11A1 PRO 50 HD2 -0.83 0.07 0.20 -0.04 3.68 3.09 1t11A1 PRO 50 HD3 -1.48 0.21 0.23 -0.04 3.65 2.57 1t11A1 MET 51 H -0.04 0.18 0.22 -0.55 8.47 8.27 1t11A1 MET 51 HA -0.03 0.15 0.42 -0.75 4.52 4.31 1t11A1 MET 51 HB2 -0.02 -0.04 0.10 -0.04 2.15 2.16 1t11A1 MET 51 HB3 -0.01 0.07 0.09 -0.04 2.03 2.13 1t11A1 MET 51 HG2 -0.01 0.09 0.11 -0.04 2.63 2.77 1t11A1 MET 51 HG3 -0.02 -0.08 0.21 -0.04 2.56 2.62 1t11A1 MET 51 HE3 -0.00 -0.01 0.05 -0.04 2.10 2.10 1t11A1 LYS 52 H -0.03 0.09 -0.08 -0.55 8.42 7.85 1t11A1 LYS 52 HA -0.02 0.11 0.44 -0.75 4.32 4.09 1t11A1 MET 53 H -0.08 0.10 -0.50 -0.55 8.47 7.45 1t11A1 MET 53 HA -0.05 0.10 0.42 -0.75 4.52 4.23 1t11A1 MET 53 HB2 -0.19 0.11 0.17 -0.04 2.15 2.20 1t11A1 MET 53 HB3 -0.11 0.07 0.00 -0.04 2.03 1.95 1t11A1 MET 53 HG2 -0.07 -0.07 0.02 -0.04 2.63 2.47 1t11A1 MET 53 HG3 -0.36 0.04 0.06 -0.04 2.56 2.26 1t11A1 MET 53 HE3 0.26 0.01 -0.05 -0.04 2.10 2.28 1t11A1 VAL 54 H -0.05 0.38 -0.00 -0.55 8.24 8.02 1t11A1 VAL 54 HA 0.08 0.06 0.34 -0.75 4.13 3.86 1t11A1 VAL 54 HB 0.03 0.03 0.09 -0.04 2.12 2.24 1t11A1 VAL 54 HG13 -0.00 0.06 0.01 -0.04 0.97 1.00 1t11A1 VAL 54 HG23 0.13 0.02 -0.04 -0.04 0.95 1.02 1t11A1 ALA 55 H -0.01 0.28 -0.47 -0.55 8.40 7.66 1t11A1 ALA 55 HA 0.02 0.05 0.42 -0.75 4.34 4.07 1t11A1 ALA 55 HB3 -0.01 0.00 0.07 -0.04 1.41 1.43 1t11A1 LYS 56 H -0.04 0.78 -0.04 -0.55 8.42 8.56 1t11A1 LYS 56 HA -0.04 -0.03 0.52 -0.75 4.32 4.02 1t11A1 MET 57 H -0.14 0.47 -0.30 -0.55 8.47 7.95 1t11A1 MET 57 HA -0.29 0.10 0.65 -0.75 4.52 4.22 1t11A1 MET 57 HB2 -0.41 0.04 0.09 -0.04 2.15 1.82 1t11A1 MET 57 HB3 -0.95 -0.03 -0.02 -0.04 2.03 0.98 1t11A1 MET 57 HG2 -0.29 -0.02 -0.02 -0.04 2.63 2.26 1t11A1 MET 57 HG3 -0.18 0.07 -0.03 -0.04 2.56 2.38 1t11A1 MET 57 HE3 -0.92 -0.00 -0.04 -0.04 2.10 1.10 1t11A1 TYR 58 H -0.06 0.63 0.03 -0.55 8.29 8.34 1t11A1 TYR 58 HA -0.05 0.17 0.99 -0.75 4.56 4.92 1t11A1 TYR 58 HB2 -0.04 0.13 0.09 -0.04 3.06 3.20 1t11A1 TYR 58 HB3 -0.04 -0.11 0.18 -0.04 2.98 2.96 1t11A1 TYR 58 HD2 -0.06 0.00 0.03 -0.04 7.15 7.08 1t11A1 TYR 58 HE2 -0.08 -0.01 -0.07 -0.04 6.85 6.65 1t11A1 GLY 59 H -0.01 0.44 -0.11 -0.55 8.43 8.20 1t11A1 GLY 59 HA2 0.02 0.00 0.39 -0.51 4.01 3.92 1t11A1 GLY 59 HA3 -0.00 0.14 0.43 -0.51 4.01 4.06 1t11A1 LYS 60 H -0.01 0.21 0.03 -0.55 8.42 8.09 1t11A1 LYS 60 HA -0.00 0.05 0.38 -0.75 4.32 3.98 1t11A1 LYS 60 HB2 -0.01 0.03 0.08 -0.04 1.87 1.93 1t11A1 LYS 60 HB3 -0.01 0.03 -0.02 -0.04 1.79 1.75 1t11A1 LYS 60 HG2 -0.01 -0.01 0.07 -0.04 1.46 1.46 1t11A1 LYS 60 HG3 -0.01 0.04 0.04 -0.04 1.46 1.48 1t11A1 LYS 60 HD2 -0.01 0.02 0.04 -0.04 1.69 1.70 1t11A1 LYS 60 HD3 -0.01 -0.03 0.03 -0.04 1.68 1.64 1t11A1 LYS 60 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.94 1t11A1 LYS 60 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.95 1t11A1 ALA 61 H 0.01 0.10 -0.52 -0.55 8.40 7.44 1t11A1 ALA 61 HA 0.01 0.06 0.43 -0.75 4.34 4.09 1t11A1 ALA 61 HB3 0.05 0.03 0.03 -0.04 1.41 1.49 1t11A1 VAL 62 H 0.06 0.68 0.11 -0.55 8.24 8.54 1t11A1 VAL 62 HA -0.00 0.01 0.40 -0.75 4.13 3.78 1t11A1 VAL 62 HB 0.02 0.12 0.18 -0.04 2.12 2.40 1t11A1 VAL 62 HG13 -0.02 -0.02 -0.07 -0.04 0.97 0.82 1t11A1 VAL 62 HG23 0.02 0.01 0.08 -0.04 0.95 1.02 1t11A1 ARG 63 H 0.00 0.50 -0.34 -0.55 8.46 8.07 1t11A1 ARG 63 HA -0.01 -0.01 0.40 -0.75 4.34 3.97 1t11A1 ARG 63 HB2 -0.00 0.08 0.08 -0.04 1.90 2.02 1t11A1 ARG 63 HB3 -0.01 0.13 0.10 -0.04 1.80 1.98 1t11A1 ARG 63 HG2 -0.01 -0.02 -0.16 -0.04 1.67 1.44 1t11A1 ARG 63 HG3 -0.01 -0.05 -0.01 -0.04 1.67 1.56 1t11A1 ARG 63 HD2 -0.00 -0.05 -0.04 -0.04 3.22 3.09 1t11A1 ARG 63 HD3 -0.00 0.02 -0.03 -0.04 3.22 3.17 1t11A1 GLN 64 H -0.01 0.55 -0.01 -0.55 8.47 8.45 1t11A1 GLN 64 HA -0.04 -0.01 0.46 -0.75 4.36 4.02 1t11A1 GLN 64 HB2 -0.02 0.12 0.17 -0.04 2.15 2.38 1t11A1 GLN 64 HB3 -0.03 -0.05 0.07 -0.04 2.02 1.97 1t11A1 GLN 64 HG2 -0.01 0.34 0.17 -0.04 2.40 2.85 1t11A1 GLN 64 HG3 -0.01 -0.05 0.04 -0.04 2.39 2.33 1t11A1 GLN 64 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.88 1t11A1 GLN 64 HE22 -0.01 0.03 0.02 -0.04 7.69 7.69 1t11A1 ASP 65 H -0.02 0.47 -0.41 -0.55 8.40 7.89 1t11A1 ASP 65 HA -0.04 0.03 0.48 -0.75 4.63 4.34 1t11A1 ASP 65 HB2 -0.02 0.03 0.08 -0.04 2.71 2.76 1t11A1 ASP 65 HB3 -0.03 0.23 0.20 -0.04 2.70 3.07 1t11A1 VAL 66 H -0.03 0.63 0.05 -0.55 8.24 8.33 1t11A1 VAL 66 HA -0.05 0.00 0.39 -0.75 4.13 3.72 1t11A1 VAL 66 HB -0.03 0.10 0.15 -0.04 2.12 2.30 1t11A1 VAL 66 HG13 -0.02 -0.02 -0.15 -0.04 0.97 0.74 1t11A1 VAL 66 HG23 -0.02 0.04 -0.08 -0.04 0.95 0.84 1t11A1 LEU 67 H -0.06 0.63 -0.18 -0.55 8.37 8.21 1t11A1 LEU 67 HA -0.10 -0.01 0.41 -0.75 4.35 3.89 1t11A1 LEU 67 HB2 -0.07 0.13 0.17 -0.04 1.64 1.84 1t11A1 LEU 67 HB3 -0.12 0.00 -0.05 -0.04 1.64 1.42 1t11A1 LEU 67 HG -0.08 -0.05 0.02 -0.04 1.64 1.49 1t11A1 LEU 67 HD13 -0.03 0.02 -0.03 -0.04 0.93 0.85 1t11A1 LEU 67 HD23 -0.03 0.00 -0.01 -0.04 0.89 0.81 1t11A1 GLY 68 H -0.11 0.53 -0.20 -0.55 8.43 8.11 1t11A1 GLY 68 HA2 -0.24 -0.01 0.40 -0.51 4.01 3.65 1t11A1 GLY 68 HA3 -0.12 0.10 0.33 -0.51 4.01 3.81 1t11A1 GLU 69 H -0.10 0.58 -0.14 -0.55 8.60 8.40 1t11A1 GLU 69 HA -0.09 0.00 0.43 -0.75 4.29 3.87 1t11A1 GLU 69 HB2 -0.06 -0.02 0.08 -0.04 2.09 2.05 1t11A1 GLU 69 HB3 -0.07 0.11 0.18 -0.04 1.99 2.16 1t11A1 GLU 69 HG2 -0.05 -0.02 -0.04 -0.04 2.34 2.19 1t11A1 GLU 69 HG3 -0.08 0.01 -0.35 -0.04 2.34 1.88 1t11A1 VAL 70 H -0.13 0.65 -0.16 -0.55 8.24 8.05 1t11A1 VAL 70 HA -0.19 -0.01 0.41 -0.75 4.13 3.58 1t11A1 VAL 70 HB -0.09 0.14 0.18 -0.04 2.12 2.31 1t11A1 VAL 70 HG13 0.19 -0.03 -0.20 -0.04 0.97 0.89 1t11A1 VAL 70 HG23 -0.01 -0.01 -0.01 -0.04 0.95 0.88 1t11A1 MET 71 H -0.39 0.59 -0.13 -0.55 8.47 7.99 1t11A1 MET 71 HA -0.48 0.01 0.36 -0.75 4.52 3.65 1t11A1 MET 71 HB2 -0.95 0.12 0.10 -0.04 2.15 1.38 1t11A1 MET 71 HB3 -1.52 -0.04 -0.05 -0.04 2.03 0.38 1t11A1 MET 71 HG2 -2.57 -0.06 -0.07 -0.04 2.63 -0.11 1t11A1 MET 71 HG3 -0.78 0.22 0.02 -0.04 2.56 1.99 1t11A1 MET 71 HE3 -0.26 -0.02 -0.12 -0.04 2.10 1.66 1t11A1 GLN 72 H -0.29 0.41 -0.22 -0.55 8.47 7.83 1t11A1 GLN 72 HA 0.24 0.03 0.39 -0.75 4.36 4.26 1t11A1 GLN 72 HB2 -0.03 0.04 0.11 -0.04 2.15 2.23 1t11A1 GLN 72 HB3 -0.04 0.16 0.15 -0.04 2.02 2.24 1t11A1 GLN 72 HG2 0.07 -0.02 -0.05 -0.04 2.40 2.36 1t11A1 GLN 72 HG3 0.11 -0.01 -0.29 -0.04 2.39 2.16 1t11A1 GLN 72 HE21 0.30 0.02 0.03 -0.04 6.97 7.28 1t11A1 GLN 72 HE22 0.22 0.04 0.03 -0.04 7.69 7.94 1t11A1 ARG 73 H -0.10 0.49 -0.13 -0.55 8.46 8.17 1t11A1 ARG 73 HA -0.00 0.04 0.42 -0.75 4.34 4.04 1t11A1 ARG 73 HB2 -0.12 0.06 0.10 -0.04 1.90 1.90 1t11A1 ARG 73 HB3 -0.34 0.06 0.10 -0.04 1.80 1.58 1t11A1 ARG 73 HG2 -0.15 -0.02 -0.16 -0.04 1.67 1.30 1t11A1 ARG 73 HG3 -0.06 -0.02 0.04 -0.04 1.67 1.59 1t11A1 ARG 73 HD2 -0.06 -0.01 -0.04 -0.04 3.22 3.08 1t11A1 ARG 73 HD3 -0.07 -0.00 -0.03 -0.04 3.22 3.08 1t11A1 HIS 74 H -0.09 0.62 -0.15 -0.55 8.41 8.24 1t11A1 HIS 74 HA 0.08 0.02 0.45 -0.75 4.63 4.42 1t11A1 HIS 74 HB2 0.39 0.09 0.04 -0.04 3.26 3.74 1t11A1 HIS 74 HB3 0.16 -0.05 -0.03 -0.04 3.20 3.25 1t11A1 HIS 74 HD2 0.17 -0.02 -0.16 -0.04 6.97 6.92 1t11A1 HIS 74 HE1 0.02 -0.02 -0.04 -0.04 7.75 7.67 1t11A1 PHE 75 H 0.42 0.55 -0.25 -0.55 8.34 8.50 1t11A1 PHE 75 HA 0.20 -0.00 0.38 -0.75 4.62 4.45 1t11A1 PHE 75 HB2 0.61 -0.02 0.07 -0.04 3.15 3.76 1t11A1 PHE 75 HB3 0.33 0.16 0.20 -0.04 3.06 3.70 1t11A1 PHE 75 HD2 0.11 0.01 -0.01 -0.04 7.28 7.35 1t11A1 PHE 75 HE2 -0.59 -0.07 -0.05 -0.04 7.38 6.64 1t11A1 PHE 75 HZ -0.86 0.06 -0.04 -0.04 7.32 6.44 1t11A1 ILE 76 H 0.10 0.49 -0.20 -0.55 8.25 8.09 1t11A1 ILE 76 HA -0.48 0.04 0.40 -0.75 4.18 3.39 1t11A1 ILE 76 HB 0.02 0.10 0.15 -0.04 1.89 2.11 1t11A1 ILE 76 HG12 0.11 -0.03 0.03 -0.04 1.49 1.56 1t11A1 ILE 76 HG13 0.23 0.08 0.08 -0.04 1.21 1.56 1t11A1 ILE 76 HG23 0.01 -0.00 -0.13 -0.04 0.93 0.76 1t11A1 ILE 76 HD13 0.15 -0.03 -0.04 -0.04 0.88 0.91 1t11A1 GLU 77 H 0.00 0.54 -0.07 -0.55 8.60 8.52 1t11A1 GLU 77 HA -0.02 0.04 0.43 -0.75 4.29 3.99 1t11A1 GLU 77 HB2 0.10 0.04 0.14 -0.04 2.09 2.34 1t11A1 GLU 77 HB3 0.05 -0.05 0.02 -0.04 1.99 1.97 1t11A1 GLU 77 HG2 0.02 -0.03 0.03 -0.04 2.34 2.32 1t11A1 GLU 77 HG3 0.01 0.13 0.09 -0.04 2.34 2.53 1t11A1 ALA 78 H -0.01 0.72 -0.22 -0.55 8.40 8.34 1t11A1 ALA 78 HA -0.02 -0.02 0.36 -0.75 4.34 3.91 1t11A1 ALA 78 HB3 0.02 0.01 0.05 -0.04 1.41 1.45 1t11A1 ILE 79 H -0.29 0.46 -0.30 -0.55 8.25 7.56 1t11A1 ILE 79 HA -0.20 -0.03 0.45 -0.75 4.18 3.65 1t11A1 ILE 79 HB -0.75 0.19 0.18 -0.04 1.89 1.47 1t11A1 ILE 79 HG12 -0.99 -0.03 -0.06 -0.04 1.49 0.37 1t11A1 ILE 79 HG13 -0.43 0.01 -0.08 -0.04 1.21 0.68 1t11A1 ILE 79 HG23 -0.39 0.05 -0.08 -0.04 0.93 0.46 1t11A1 ILE 79 HD13 -0.34 -0.01 -0.12 -0.04 0.88 0.37 1t11A1 VAL 80 H -0.14 0.54 -0.04 -0.55 8.24 8.06 1t11A1 VAL 80 HA -0.08 0.04 0.48 -0.75 4.13 3.82 1t11A1 VAL 80 HB -0.04 0.05 0.19 -0.04 2.12 2.28 1t11A1 VAL 80 HG13 -0.02 -0.02 -0.03 -0.04 0.97 0.87 1t11A1 VAL 80 HG23 -0.03 0.05 0.06 -0.04 0.95 0.99 1t11A1 LYS 81 H -0.05 0.58 -0.13 -0.55 8.42 8.26 1t11A1 LYS 81 HA -0.03 -0.01 0.41 -0.75 4.32 3.94 1t11A1 LYS 81 HB2 -0.02 0.04 0.12 -0.04 1.87 1.97 1t11A1 LYS 81 HB3 -0.03 0.08 0.14 -0.04 1.79 1.94 1t11A1 LYS 81 HG2 -0.02 0.01 -0.14 -0.04 1.46 1.27 1t11A1 LYS 81 HG3 -0.01 -0.06 0.03 -0.04 1.46 1.38 1t11A1 LYS 81 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.60 1t11A1 LYS 81 HD3 -0.01 0.03 -0.03 -0.04 1.68 1.63 1t11A1 LYS 81 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.92 1t11A1 LYS 81 HE3 -0.01 -0.04 0.00 -0.04 2.99 2.91 1t11A1 GLU 82 H -0.05 0.49 -0.15 -0.55 8.60 8.34 1t11A1 GLU 82 HA -0.03 0.05 0.45 -0.75 4.29 4.01 1t11A1 GLU 82 HB2 -0.04 0.08 0.08 -0.04 2.09 2.18 1t11A1 GLU 82 HB3 -0.02 -0.07 0.08 -0.04 1.99 1.94 1t11A1 GLU 82 HG2 -0.02 0.08 0.05 -0.04 2.34 2.41 1t11A1 GLU 82 HG3 -0.00 -0.09 -0.03 -0.04 2.34 2.17 1t11A1 LYS 83 H -0.06 0.31 -0.75 -0.55 8.42 7.37 1t11A1 LYS 83 HA -0.08 0.01 0.28 -0.75 4.32 3.77 1t11A1 LYS 83 HB2 -0.04 0.07 -0.47 -0.04 1.87 1.39 1t11A1 LYS 83 HB3 -0.05 -0.07 0.23 -0.04 1.79 1.87 1t11A1 LYS 83 HG2 -0.03 -0.08 -0.03 -0.04 1.46 1.28 1t11A1 LYS 83 HG3 -0.05 -0.10 -0.01 -0.04 1.46 1.24 1t11A1 LYS 83 HD2 -0.05 0.29 0.08 -0.04 1.69 1.97 1t11A1 LYS 83 HD3 -0.03 0.10 -0.01 -0.04 1.68 1.70 1t11A1 LYS 83 HE2 -0.02 -0.09 0.01 -0.04 2.99 2.85 1t11A1 LYS 83 HE3 -0.04 -0.15 0.01 -0.04 2.99 2.77 1t11A1 ILE 84 H -0.11 0.49 -0.09 -0.55 8.25 7.99 1t11A1 ILE 84 HA -0.05 0.13 0.72 -0.75 4.18 4.23 1t11A1 ILE 84 HB -0.11 -0.03 0.02 -0.04 1.89 1.72 1t11A1 ILE 84 HG12 0.01 0.03 -0.13 -0.04 1.49 1.36 1t11A1 ILE 84 HG13 -0.02 0.09 -0.30 -0.04 1.21 0.94 1t11A1 ILE 84 HG23 0.06 -0.02 -0.27 -0.04 0.93 0.66 1t11A1 ILE 84 HD13 0.10 -0.03 -0.12 -0.04 0.88 0.79 1t11A1 ASN 85 H -0.04 0.15 0.04 -0.55 8.53 8.13 1t11A1 ASN 85 HA -0.10 0.23 0.91 -0.75 4.76 5.03 1t11A1 ASN 85 HB2 -0.10 0.07 -0.06 -0.04 2.88 2.74 1t11A1 ASN 85 HB3 0.07 -0.07 0.20 -0.04 2.79 2.95 1t11A1 ASN 85 HD21 0.40 -0.05 -0.05 -0.04 7.03 7.30 1t11A1 ASN 85 HD22 0.16 0.01 0.03 -0.04 7.74 7.90 1t11A1 PRO 86 HA -0.14 0.15 0.51 -0.51 4.44 4.45 1t11A1 PRO 86 HB2 -0.36 0.02 -0.03 -0.04 2.28 1.87 1t11A1 PRO 86 HB3 -0.52 0.06 0.07 -0.04 2.02 1.59 1t11A1 PRO 86 HG2 -1.23 -0.00 -0.03 -0.04 2.03 0.73 1t11A1 PRO 86 HG3 -0.90 -0.00 -0.08 -0.04 2.03 1.00 1t11A1 PRO 86 HD2 -1.03 0.09 0.08 -0.04 3.68 2.78 1t11A1 PRO 86 HD3 -0.52 0.32 -0.22 -0.04 3.65 3.19 1t11A1 ALA 87 H -0.22 0.75 0.35 -0.55 8.40 8.74 1t11A1 ALA 87 HA -0.85 0.15 0.70 -0.75 4.34 3.59 1t11A1 ALA 87 HB3 -1.19 -0.04 -0.11 -0.04 1.41 0.03 1t11A1 GLY 88 H -0.02 0.22 -0.03 -0.55 8.43 8.06 1t11A1 GLY 88 HA2 0.07 0.11 0.46 -0.51 4.01 4.14 1t11A1 GLY 88 HA3 0.06 -0.00 0.29 -0.51 4.01 3.85 1t11A1 ALA 89 H 0.04 0.09 0.15 -0.55 8.40 8.13 1t11A1 ALA 89 HA 0.03 0.03 0.48 -0.75 4.34 4.13 1t11A1 ALA 89 HB3 -0.02 0.04 0.21 -0.04 1.41 1.61 1t11A1 PRO 90 HA -0.19 0.24 0.70 -0.51 4.44 4.68 1t11A1 PRO 90 HB2 -1.02 -0.06 -0.07 -0.04 2.28 1.09 1t11A1 PRO 90 HB3 -1.00 0.03 -0.03 -0.04 2.02 0.98 1t11A1 PRO 90 HG2 -1.37 -0.02 0.02 -0.04 2.03 0.61 1t11A1 PRO 90 HG3 -2.82 0.00 0.03 -0.04 2.03 -0.79 1t11A1 PRO 90 HD2 -0.31 0.03 0.28 -0.04 3.68 3.65 1t11A1 PRO 90 HD3 -0.54 0.15 0.18 -0.04 3.65 3.40 1t11A1 THR 91 H -0.22 0.65 0.31 -0.55 8.28 8.47 1t11A1 THR 91 HA -0.19 0.14 0.91 -0.75 4.39 4.49 1t11A1 THR 91 HB -0.07 0.02 0.23 -0.04 4.32 4.45 1t11A1 THR 91 HG23 -0.01 -0.02 -0.13 -0.04 1.22 1.02 1t11A1 PHE 92 H -0.04 0.15 0.10 -0.55 8.34 8.00 1t11A1 PHE 92 HA 0.09 0.34 0.92 -0.75 4.62 5.22 1t11A1 PHE 92 HB2 -0.03 -0.04 0.04 -0.04 3.15 3.08 1t11A1 PHE 92 HB3 0.05 0.00 0.01 -0.04 3.06 3.08 1t11A1 PHE 92 HD2 0.10 0.04 -0.05 -0.04 7.28 7.33 1t11A1 PHE 92 HE2 0.04 0.03 -0.07 -0.04 7.38 7.33 1t11A1 PHE 92 HZ -0.11 -0.01 -0.09 -0.04 7.32 7.07 1t11A1 ALA 93 H 0.28 0.55 0.34 -0.55 8.40 9.03 1t11A1 ALA 93 HA 0.10 0.19 0.89 -0.75 4.34 4.77 1t11A1 ALA 93 HB3 0.08 -0.00 0.01 -0.04 1.41 1.46 1t11A1 PRO 94 HA 0.15 0.06 0.66 -0.51 4.44 4.80 1t11A1 PRO 94 HB2 0.04 -0.03 -0.05 -0.04 2.28 2.20 1t11A1 PRO 94 HB3 0.03 0.02 0.06 -0.04 2.02 2.08 1t11A1 PRO 94 HG2 0.04 0.04 0.09 -0.04 2.03 2.16 1t11A1 PRO 94 HG3 0.03 0.03 0.05 -0.04 2.03 2.10 1t11A1 PRO 94 HD2 0.06 0.11 0.24 -0.04 3.68 4.04 1t11A1 PRO 94 HD3 0.06 0.15 0.12 -0.04 3.65 3.94 1t11A1 VAL 95 H 0.13 0.61 0.48 -0.55 8.24 8.90 1t11A1 VAL 95 HA 0.05 0.20 0.95 -0.75 4.13 4.57 1t11A1 VAL 95 HB 0.05 -0.03 -0.04 -0.04 2.12 2.07 1t11A1 VAL 95 HG13 0.03 -0.01 -0.04 -0.04 0.97 0.90 1t11A1 VAL 95 HG23 0.07 0.01 -0.17 -0.04 0.95 0.82 1t11A1 GLU 96 H 0.08 0.47 0.34 -0.55 8.60 8.94 1t11A1 GLU 96 HA 0.03 0.08 0.81 -0.75 4.29 4.46 1t11A1 GLU 96 HB2 0.03 0.06 -0.08 -0.04 2.09 2.06 1t11A1 GLU 96 HB3 0.04 0.02 0.21 -0.04 1.99 2.21 1t11A1 GLU 96 HG2 0.02 -0.02 0.02 -0.04 2.34 2.33 1t11A1 GLU 96 HG3 0.03 0.11 -0.13 -0.04 2.34 2.31 1t11A1 ILE 97 H 0.03 0.13 0.10 -0.55 8.25 7.96 1t11A1 ILE 97 HA 0.03 0.24 0.93 -0.75 4.18 4.62 1t11A1 ILE 97 HB 0.00 0.01 0.10 -0.04 1.89 1.96 1t11A1 ILE 97 HG12 0.02 -0.03 -0.04 -0.04 1.49 1.40 1t11A1 ILE 97 HG13 0.01 -0.00 -0.24 -0.04 1.21 0.94 1t11A1 ILE 97 HG23 0.02 -0.01 -0.15 -0.04 0.93 0.75 1t11A1 ILE 97 HD13 0.01 0.01 -0.06 -0.04 0.88 0.80 1t11A1 GLY 98 H 0.02 -0.00 0.02 -0.55 8.43 7.92 1t11A1 GLY 98 HA2 0.01 -0.00 0.38 -0.51 4.01 3.89 1t11A1 GLY 98 HA3 0.01 0.05 0.30 -0.51 4.01 3.86 1t11A1 GLU 99 H 0.01 0.06 0.17 -0.55 8.60 8.30 1t11A1 GLU 99 HA 0.01 0.10 0.42 -0.75 4.29 4.06 1t11A1 GLU 99 HB2 0.00 0.00 0.05 -0.04 2.09 2.11 1t11A1 GLU 99 HB3 0.00 -0.01 0.09 -0.04 1.99 2.03 1t11A1 GLU 99 HG2 0.00 0.07 0.08 -0.04 2.34 2.45 1t11A1 GLU 99 HG3 0.00 -0.02 0.11 -0.04 2.34 2.39 1t11A1 GLY 100 H 0.01 0.12 0.15 -0.55 8.43 8.16 1t11A1 GLY 100 HA2 0.01 -0.04 0.35 -0.51 4.01 3.82 1t11A1 GLY 100 HA3 0.01 0.05 0.33 -0.51 4.01 3.89 1t11A1 LYS 101 H 0.01 0.38 -0.91 -0.55 8.42 7.35 1t11A1 LYS 101 HA 0.02 0.11 0.77 -0.75 4.32 4.46 1t11A1 LYS 101 HB2 0.02 0.11 -0.13 -0.04 1.87 1.83 1t11A1 LYS 101 HB3 0.02 -0.06 0.06 -0.04 1.79 1.77 1t11A1 LYS 101 HG2 0.01 -0.00 -0.13 -0.04 1.46 1.30 1t11A1 LYS 101 HG3 0.01 0.13 -0.16 -0.04 1.46 1.40 1t11A1 LYS 101 HD2 0.01 -0.07 -0.02 -0.04 1.69 1.58 1t11A1 LYS 101 HD3 0.01 -0.00 0.00 -0.04 1.68 1.65 1t11A1 LYS 101 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.95 1t11A1 LYS 101 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 1t11A1 ASP 102 H 0.03 0.10 0.12 -0.55 8.40 8.10 1t11A1 ASP 102 HA 0.03 -0.02 0.60 -0.75 4.63 4.49 1t11A1 ASP 102 HB2 0.03 -0.01 0.08 -0.04 2.71 2.78 1t11A1 ASP 102 HB3 0.03 0.09 -0.14 -0.04 2.70 2.64 1t11A1 LEU 103 H 0.04 0.50 0.30 -0.55 8.37 8.65 1t11A1 LEU 103 HA 0.07 0.31 0.74 -0.75 4.35 4.72 1t11A1 LEU 103 HB2 0.06 0.01 0.12 -0.04 1.64 1.78 1t11A1 LEU 103 HB3 0.09 -0.06 0.23 -0.04 1.64 1.86 1t11A1 LEU 103 HG 0.38 -0.01 -0.37 -0.04 1.64 1.61 1t11A1 LEU 103 HD13 0.08 0.02 0.02 -0.04 0.93 1.00 1t11A1 LEU 103 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.79 1t11A1 VAL 104 H 0.11 0.53 0.45 -0.55 8.24 8.78 1t11A1 VAL 104 HA 0.03 0.45 1.17 -0.75 4.13 5.03 1t11A1 VAL 104 HB 0.05 -0.14 0.17 -0.04 2.12 2.16 1t11A1 VAL 104 HG13 -0.00 0.00 -0.13 -0.04 0.97 0.80 1t11A1 VAL 104 HG23 0.02 0.03 -0.23 -0.04 0.95 0.72 1t11A1 PHE 105 H -0.23 0.68 0.41 -0.55 8.34 8.65 1t11A1 PHE 105 HA 0.05 0.08 0.83 -0.75 4.62 4.83 1t11A1 PHE 105 HB2 0.07 0.10 0.04 -0.04 3.15 3.32 1t11A1 PHE 105 HB3 0.03 -0.05 -0.18 -0.04 3.06 2.81 1t11A1 PHE 105 HD2 0.13 0.04 -0.33 -0.04 7.28 7.08 1t11A1 PHE 105 HE2 0.18 0.02 -0.18 -0.04 7.38 7.35 1t11A1 PHE 105 HZ 0.18 0.01 -0.08 -0.04 7.32 7.39 1t11A1 THR 106 H 0.24 0.59 0.40 -0.55 8.28 8.95 1t11A1 THR 106 HA -0.00 0.42 1.25 -0.75 4.39 5.30 1t11A1 THR 106 HB 0.03 0.03 0.07 -0.04 4.32 4.41 1t11A1 THR 106 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.08 1t11A1 ALA 107 H 0.11 0.53 0.30 -0.55 8.40 8.79 1t11A1 ALA 107 HA 0.06 0.18 0.73 -0.75 4.34 4.56 1t11A1 ALA 107 HB3 0.31 -0.01 0.02 -0.04 1.41 1.69 1t11A1 THR 108 H -0.04 0.61 0.28 -0.55 8.28 8.59 1t11A1 THR 108 HA -0.19 0.31 1.17 -0.75 4.39 4.93 1t11A1 THR 108 HB -0.05 -0.01 0.15 -0.04 4.32 4.37 1t11A1 THR 108 HG23 -0.11 0.02 0.04 -0.04 1.22 1.12 1t11A1 PHE 109 H -0.52 0.62 0.45 -0.55 8.34 8.34 1t11A1 PHE 109 HA -0.08 0.09 0.49 -0.75 4.62 4.37 1t11A1 PHE 109 HB2 -0.08 0.02 0.08 -0.04 3.15 3.13 1t11A1 PHE 109 HB3 -0.17 0.05 -0.14 -0.04 3.06 2.75 1t11A1 PHE 109 HD2 -0.07 0.06 -0.45 -0.04 7.28 6.77 1t11A1 PHE 109 HE2 0.06 -0.01 -0.21 -0.04 7.38 7.18 1t11A1 PHE 109 HZ -0.01 -0.01 -0.19 -0.04 7.32 7.08 1t11A1 GLU 110 H 0.20 0.15 0.18 -0.55 8.60 8.58 1t11A1 GLU 110 HA -0.03 0.44 1.27 -0.75 4.29 5.20 1t11A1 GLU 110 HB2 0.05 -0.07 -0.00 -0.04 2.09 2.03 1t11A1 GLU 110 HB3 0.05 0.10 0.07 -0.04 1.99 2.17 1t11A1 GLU 110 HG2 0.01 0.03 -0.25 -0.04 2.34 2.09 1t11A1 GLU 110 HG3 0.05 -0.07 -0.16 -0.04 2.34 2.12 1t11A1 VAL 111 H -0.02 0.57 0.34 -0.55 8.24 8.58 1t11A1 VAL 111 HA -0.14 0.13 0.99 -0.75 4.13 4.36 1t11A1 VAL 111 HB 0.01 0.06 0.02 -0.04 2.12 2.18 1t11A1 VAL 111 HG13 0.15 -0.02 -0.31 -0.04 0.97 0.75 1t11A1 VAL 111 HG23 0.00 0.04 -0.07 -0.04 0.95 0.88 1t11A1 TYR 112 H -0.18 0.28 0.15 -0.55 8.29 7.98 1t11A1 TYR 112 HA -0.18 0.04 0.44 -0.75 4.56 4.10 1t11A1 TYR 112 HB2 -0.03 -0.04 0.15 -0.04 3.06 3.10 1t11A1 TYR 112 HB3 -0.01 0.18 0.06 -0.04 2.98 3.17 1t11A1 TYR 112 HD2 -0.11 0.04 0.04 -0.04 7.15 7.08 1t11A1 TYR 112 HE2 0.01 -0.04 -0.02 -0.04 6.85 6.76 1t11A1 PRO 113 HA 0.09 0.02 0.48 -0.51 4.44 4.53 1t11A1 PRO 113 HB2 0.10 -0.01 -0.02 -0.04 2.28 2.31 1t11A1 PRO 113 HB3 0.15 -0.02 0.12 -0.04 2.02 2.23 1t11A1 PRO 113 HG2 0.16 0.04 0.00 -0.04 2.03 2.19 1t11A1 PRO 113 HG3 0.23 0.16 0.07 -0.04 2.03 2.45 1t11A1 PRO 113 HD2 0.41 0.10 0.20 -0.04 3.68 4.34 1t11A1 PRO 113 HD3 0.43 0.08 0.21 -0.04 3.65 4.33 1t11A1 GLU 114 H 0.06 0.09 0.10 -0.55 8.60 8.30 1t11A1 GLU 114 HA 0.05 0.15 0.64 -0.75 4.29 4.37 1t11A1 GLU 114 HB2 0.03 0.00 0.04 -0.04 2.09 2.12 1t11A1 GLU 114 HB3 0.03 0.04 0.07 -0.04 1.99 2.09 1t11A1 GLU 114 HG2 0.03 0.03 0.08 -0.04 2.34 2.44 1t11A1 GLU 114 HG3 0.04 -0.06 0.18 -0.04 2.34 2.45 1t11A1 VAL 115 H 0.04 0.36 0.11 -0.55 8.24 8.20 1t11A1 VAL 115 HA 0.03 -0.01 0.32 -0.75 4.13 3.72 1t11A1 VAL 115 HB 0.01 -0.01 0.02 -0.04 2.12 2.10 1t11A1 VAL 115 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.74 1t11A1 VAL 115 HG23 0.03 0.03 -0.20 -0.04 0.95 0.78 1t11A1 GLU 116 H 0.02 0.17 0.06 -0.55 8.60 8.31 1t11A1 GLU 116 HA 0.01 0.15 0.89 -0.75 4.29 4.59 1t11A1 GLU 116 HB2 0.01 -0.01 0.15 -0.04 2.09 2.20 1t11A1 GLU 116 HB3 0.01 -0.04 0.00 -0.04 1.99 1.92 1t11A1 GLU 116 HG2 0.02 0.18 -0.26 -0.04 2.34 2.23 1t11A1 GLU 116 HG3 0.01 -0.04 -0.04 -0.04 2.34 2.23 1t11A1 LEU 117 H 0.01 0.19 -0.06 -0.55 8.37 7.96 1t11A1 LEU 117 HA 0.01 0.04 0.39 -0.75 4.35 4.04 1t11A1 LEU 117 HB2 0.01 -0.02 0.05 -0.04 1.64 1.64 1t11A1 LEU 117 HB3 0.01 0.03 -0.11 -0.04 1.64 1.52 1t11A1 LEU 117 HG 0.01 0.02 -0.01 -0.04 1.64 1.62 1t11A1 LEU 117 HD13 0.01 0.05 -0.08 -0.04 0.93 0.86 1t11A1 LEU 117 HD23 0.00 -0.00 -0.02 -0.04 0.89 0.83 1t11A1 LYS 118 H 0.01 0.14 0.21 -0.55 8.42 8.22 1t11A1 LYS 118 HA 0.01 0.02 0.42 -0.75 4.32 4.02 1t11A1 LYS 118 HB2 0.01 0.05 0.17 -0.04 1.87 2.06 1t11A1 LYS 118 HB3 0.01 -0.00 0.15 -0.04 1.79 1.90 1t11A1 LYS 118 HG2 0.01 0.03 -0.19 -0.04 1.46 1.26 1t11A1 LYS 118 HG3 0.01 -0.02 0.05 -0.04 1.46 1.46 1t11A1 LYS 118 HD2 0.01 0.01 0.02 -0.04 1.69 1.69 1t11A1 LYS 118 HD3 0.01 -0.01 0.01 -0.04 1.68 1.65 1t11A1 LYS 118 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 1t11A1 LYS 118 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 1t11A1 GLY 119 H 0.01 0.14 0.20 -0.55 8.43 8.23 1t11A1 GLY 119 HA2 0.01 0.03 0.35 -0.51 4.01 3.89 1t11A1 GLY 119 HA3 0.01 0.12 0.45 -0.51 4.01 4.07 1t11A1 LEU 120 H 0.01 0.44 -0.44 -0.55 8.37 7.83 1t11A1 LEU 120 HA 0.01 0.24 0.79 -0.75 4.35 4.63 1t11A1 LEU 120 HB2 0.01 -0.02 -0.12 -0.04 1.64 1.46 1t11A1 LEU 120 HB3 0.01 -0.09 0.06 -0.04 1.64 1.58 1t11A1 LEU 120 HG 0.01 0.18 -0.50 -0.04 1.64 1.28 1t11A1 LEU 120 HD13 0.01 -0.04 -0.13 -0.04 0.93 0.73 1t11A1 LEU 120 HD23 0.01 0.05 -0.14 -0.04 0.89 0.76 1t11A1 GLU 121 H 0.00 0.04 -0.07 -0.55 8.60 8.03 1t11A1 GLU 121 HA 0.01 -0.02 0.42 -0.75 4.29 3.93 1t11A1 GLU 121 HB2 0.00 0.03 0.09 -0.04 2.09 2.17 1t11A1 GLU 121 HB3 0.00 0.03 0.00 -0.04 1.99 1.99 1t11A1 GLU 121 HG2 0.00 0.02 -0.02 -0.04 2.34 2.30 1t11A1 GLU 121 HG3 0.01 0.10 -0.05 -0.04 2.34 2.35 1t11A1 ASN 122 H 0.01 0.10 0.26 -0.55 8.53 8.35 1t11A1 ASN 122 HA 0.01 -0.01 0.34 -0.75 4.76 4.34 1t11A1 ASN 122 HB2 0.00 0.23 0.05 -0.04 2.88 3.12 1t11A1 ASN 122 HB3 0.01 0.01 0.17 -0.04 2.79 2.93 1t11A1 ASN 122 HD21 0.00 -0.02 -0.07 -0.04 7.03 6.90 1t11A1 ASN 122 HD22 0.00 0.08 -0.19 -0.04 7.74 7.59 1t11A1 ILE 123 H 0.01 0.31 -0.15 -0.55 8.25 7.87 1t11A1 ILE 123 HA 0.01 0.31 0.50 -0.75 4.18 4.24 1t11A1 ILE 123 HB 0.01 0.00 -0.18 -0.04 1.89 1.68 1t11A1 ILE 123 HG12 0.01 -0.13 -0.04 -0.04 1.49 1.28 1t11A1 ILE 123 HG13 0.01 0.11 -0.14 -0.04 1.21 1.15 1t11A1 ILE 123 HG23 0.01 -0.03 -0.13 -0.04 0.93 0.73 1t11A1 ILE 123 HD13 0.01 0.02 -0.12 -0.04 0.88 0.74 1t11A1 ALA 124 H 0.01 0.05 -0.08 -0.55 8.40 7.83 1t11A1 ALA 124 HA 0.01 0.27 0.99 -0.75 4.34 4.85 1t11A1 ALA 124 HB3 0.01 -0.02 -0.00 -0.04 1.41 1.35 1t11A1 VAL 125 H 0.01 0.68 0.30 -0.55 8.24 8.68 1t11A1 VAL 125 HA 0.01 0.17 0.98 -0.75 4.13 4.54 1t11A1 VAL 125 HB 0.01 0.01 -0.08 -0.04 2.12 2.02 1t11A1 VAL 125 HG13 0.01 0.02 -0.24 -0.04 0.97 0.72 1t11A1 VAL 125 HG23 0.01 0.03 -0.18 -0.04 0.95 0.77 1t11A1 GLU 126 H 0.01 0.20 0.10 -0.55 8.60 8.36 1t11A1 GLU 126 HA 0.01 0.22 0.81 -0.75 4.29 4.57 1t11A1 GLU 126 HB2 0.01 0.00 -0.01 -0.04 2.09 2.05 1t11A1 GLU 126 HB3 0.01 -0.01 0.05 -0.04 1.99 2.00 1t11A1 GLU 126 HG2 0.01 0.09 -0.11 -0.04 2.34 2.28 1t11A1 GLU 126 HG3 0.01 -0.02 -0.06 -0.04 2.34 2.23 1t11A1 LYS 127 H 0.01 0.20 0.12 -0.55 8.42 8.20 1t11A1 LYS 127 HA 0.01 0.09 0.29 -0.75 4.32 3.96 1t11A1 LYS 127 HB2 0.01 0.07 0.00 -0.04 1.87 1.91 1t11A1 LYS 127 HB3 0.01 0.03 0.06 -0.04 1.79 1.85 1t11A1 LYS 127 HG2 0.01 0.13 0.20 -0.04 1.46 1.75 1t11A1 LYS 127 HG3 0.01 -0.07 0.12 -0.04 1.46 1.48 1t11A1 LYS 127 HD2 0.01 0.08 -0.02 -0.04 1.69 1.71 1t11A1 LYS 127 HD3 0.00 -0.28 0.10 -0.04 1.68 1.46 1t11A1 LYS 127 HE2 0.00 0.09 -0.00 -0.04 2.99 3.04 1t11A1 LYS 127 HE3 0.00 0.03 0.02 -0.04 2.99 3.00 1t11A1 PRO 128 HA 0.01 -0.05 0.42 -0.51 4.44 4.31 1t11A1 PRO 128 HB2 0.01 -0.01 0.09 -0.04 2.28 2.32 1t11A1 PRO 128 HB3 0.01 0.04 0.09 -0.04 2.02 2.11 1t11A1 PRO 128 HG2 0.01 0.02 0.04 -0.04 2.03 2.06 1t11A1 PRO 128 HG3 0.01 0.06 0.09 -0.04 2.03 2.14 1t11A1 PRO 128 HD2 0.01 0.02 0.10 -0.04 3.68 3.77 1t11A1 PRO 128 HD3 0.01 0.14 0.08 -0.04 3.65 3.84 1t11A1 ALA 129 H 0.01 0.04 0.01 -0.55 8.40 7.91 1t11A1 ALA 129 HA 0.01 0.24 0.89 -0.75 4.34 4.72 1t11A1 ALA 129 HB3 0.01 -0.03 0.09 -0.04 1.41 1.44 1t11A1 ALA 130 H 0.01 0.07 0.06 -0.55 8.40 7.99 1t11A1 ALA 130 HA 0.01 0.02 0.20 -0.75 4.34 3.82 1t11A1 ALA 130 HB3 0.01 0.05 -0.04 -0.04 1.41 1.39 1t11A1 ASP 134 HA 0.00 -0.03 0.14 -0.75 4.63 3.99 1t11A1 ASP 134 HB2 0.00 0.02 -0.04 -0.04 2.71 2.65 1t11A1 ASP 134 HB3 0.00 -0.13 0.12 -0.04 2.70 2.65 1t11A1 ALA 135 H 0.00 0.12 0.07 -0.55 8.40 8.05 1t11A1 ALA 135 HA 0.00 -0.01 0.27 -0.75 4.34 3.84 1t11A1 ALA 135 HB3 0.00 0.01 0.16 -0.04 1.41 1.55 1t11A1 ASP 136 H -0.00 0.16 0.03 -0.55 8.40 8.04 1t11A1 ASP 136 HA -0.01 0.05 0.35 -0.75 4.63 4.26 1t11A1 ASP 136 HB2 -0.01 -0.02 0.13 -0.04 2.71 2.77 1t11A1 ASP 136 HB3 -0.02 0.05 -0.04 -0.04 2.70 2.65 1t11A1 VAL 137 H -0.00 0.05 -0.16 -0.55 8.24 7.58 1t11A1 VAL 137 HA -0.03 0.12 0.49 -0.75 4.13 3.96 1t11A1 VAL 137 HB 0.02 -0.03 0.04 -0.04 2.12 2.11 1t11A1 VAL 137 HG13 0.03 0.03 -0.12 -0.04 0.97 0.87 1t11A1 VAL 137 HG23 -0.00 -0.01 0.01 -0.04 0.95 0.91 1t11A1 ALA 138 H 0.01 0.00 -0.07 -0.55 8.40 7.80 1t11A1 ALA 138 HA 0.03 0.04 0.38 -0.75 4.34 4.03 1t11A1 ALA 138 HB3 0.01 0.05 0.08 -0.04 1.41 1.52 1t11A1 GLU 139 H 0.00 0.83 -0.00 -0.55 8.60 8.88 1t11A1 GLU 139 HA 0.01 0.06 0.51 -0.75 4.29 4.11 1t11A1 GLU 139 HB2 0.00 0.49 0.18 -0.04 2.09 2.72 1t11A1 GLU 139 HB3 -0.00 -0.10 0.11 -0.04 1.99 1.96 1t11A1 GLU 139 HG2 -0.00 -0.06 -0.27 -0.04 2.34 1.97 1t11A1 GLU 139 HG3 0.00 0.08 0.04 -0.04 2.34 2.42 1t11A1 MET 140 H -0.01 0.50 -0.02 -0.55 8.47 8.39 1t11A1 MET 140 HA -0.01 0.00 0.46 -0.75 4.52 4.22 1t11A1 MET 140 HB2 -0.06 0.10 0.13 -0.04 2.15 2.28 1t11A1 MET 140 HB3 -0.08 -0.01 0.11 -0.04 2.03 2.02 1t11A1 MET 140 HG2 -0.03 -0.08 0.07 -0.04 2.63 2.55 1t11A1 MET 140 HG3 -0.03 0.11 0.15 -0.04 2.56 2.76 1t11A1 MET 140 HE3 -0.05 -0.00 -0.07 -0.04 2.10 1.93 1t11A1 LEU 141 H 0.03 0.32 -0.73 -0.55 8.37 7.45 1t11A1 LEU 141 HA 0.18 0.09 0.65 -0.75 4.35 4.51 1t11A1 LEU 141 HB2 0.09 0.18 0.13 -0.04 1.64 2.00 1t11A1 LEU 141 HB3 0.21 -0.05 -0.05 -0.04 1.64 1.71 1t11A1 LEU 141 HG 0.09 0.13 -0.05 -0.04 1.64 1.77 1t11A1 LEU 141 HD13 0.16 -0.04 -0.13 -0.04 0.93 0.88 1t11A1 LEU 141 HD23 0.34 -0.01 -0.04 -0.04 0.89 1.14 1t11A1 GLU 142 H 0.03 0.43 0.04 -0.55 8.60 8.56 1t11A1 GLU 142 HA -0.02 0.04 0.46 -0.75 4.29 4.01 1t11A1 GLU 142 HB2 0.00 0.15 0.22 -0.04 2.09 2.43 1t11A1 GLU 142 HB3 -0.01 -0.04 0.08 -0.04 1.99 1.98 1t11A1 GLU 142 HG2 -0.01 -0.05 0.06 -0.04 2.34 2.29 1t11A1 GLU 142 HG3 0.00 0.00 0.13 -0.04 2.34 2.43 1t11A1 THR 143 H 0.03 0.31 -0.26 -0.55 8.28 7.81 1t11A1 THR 143 HA 0.02 0.07 0.41 -0.75 4.39 4.13 1t11A1 THR 143 HB 0.01 0.01 0.12 -0.04 4.32 4.41 1t11A1 THR 143 HG23 0.01 0.01 -0.12 -0.04 1.22 1.08 1t11A1 LEU 144 H 0.08 0.39 -0.22 -0.55 8.37 8.07 1t11A1 LEU 144 HA 0.07 0.03 0.38 -0.75 4.35 4.08 1t11A1 LEU 144 HB2 0.09 0.20 0.26 -0.04 1.64 2.15 1t11A1 LEU 144 HB3 0.34 0.04 0.02 -0.04 1.64 2.00 1t11A1 LEU 144 HG 0.00 -0.03 0.00 -0.04 1.64 1.57 1t11A1 LEU 144 HD13 0.11 -0.01 -0.02 -0.04 0.93 0.97 1t11A1 LEU 144 HD23 0.09 -0.00 0.03 -0.04 0.89 0.97 1t11A1 ARG 145 H 0.14 0.43 -0.42 -0.55 8.46 8.05 1t11A1 ARG 145 HA 0.11 0.02 0.39 -0.75 4.34 4.10 1t11A1 ARG 145 HB2 -0.17 0.09 0.11 -0.04 1.90 1.88 1t11A1 ARG 145 HB3 -0.05 0.17 0.18 -0.04 1.80 2.06 1t11A1 ARG 145 HG2 -0.13 -0.05 -0.15 -0.04 1.67 1.30 1t11A1 ARG 145 HG3 -0.28 0.01 -0.06 -0.04 1.67 1.29 1t11A1 ARG 145 HD2 -0.34 -0.07 -0.09 -0.04 3.22 2.68 1t11A1 ARG 145 HD3 -0.15 -0.02 0.01 -0.04 3.22 3.03 1t11A1 LYS 146 H -0.00 0.47 -0.02 -0.55 8.42 8.32 1t11A1 LYS 146 HA -0.05 -0.03 0.37 -0.75 4.32 3.86 1t11A1 LYS 146 HB2 0.01 0.09 0.17 -0.04 1.87 2.09 1t11A1 LYS 146 HB3 0.01 0.00 -0.04 -0.04 1.79 1.72 1t11A1 LYS 146 HG2 -0.05 -0.04 0.05 -0.04 1.46 1.38 1t11A1 LYS 146 HG3 -0.03 0.02 0.06 -0.04 1.46 1.47 1t11A1 LYS 146 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 1t11A1 LYS 146 HD3 0.02 0.01 -0.02 -0.04 1.68 1.65 1t11A1 LYS 146 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 1t11A1 LYS 146 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.91 1t11A1 GLN 147 H 0.04 0.38 -0.45 -0.55 8.47 7.89 1t11A1 GLN 147 HA 0.04 0.01 0.44 -0.75 4.36 4.10 1t11A1 GLN 147 HB2 0.05 0.11 0.10 -0.04 2.15 2.38 1t11A1 GLN 147 HB3 0.04 -0.08 0.08 -0.04 2.02 2.02 1t11A1 GLN 147 HG2 0.03 -0.08 0.01 -0.04 2.40 2.33 1t11A1 GLN 147 HG3 0.04 0.55 0.09 -0.04 2.39 3.03 1t11A1 GLN 147 HE21 0.01 0.07 0.10 -0.04 6.97 7.11 1t11A1 GLN 147 HE22 0.02 0.01 0.00 -0.04 7.69 7.68 1t11A1 GLN 148 H 0.06 0.42 -0.21 -0.55 8.47 8.20 1t11A1 GLN 148 HA 0.04 0.06 0.69 -0.75 4.36 4.40 1t11A1 GLN 148 HB2 0.11 0.06 0.18 -0.04 2.15 2.46 1t11A1 GLN 148 HB3 0.08 -0.12 0.13 -0.04 2.02 2.06 1t11A1 GLN 148 HG2 0.08 -0.06 -0.02 -0.04 2.40 2.36 1t11A1 GLN 148 HG3 0.14 0.52 0.14 -0.04 2.39 3.14 1t11A1 GLN 148 HE21 0.00 -0.07 -0.00 -0.04 6.97 6.86 1t11A1 GLN 148 HE22 0.05 0.01 -0.00 -0.04 7.69 7.70 1t11A1 ALA 149 H -0.02 0.18 -0.19 -0.55 8.40 7.82 1t11A1 ALA 149 HA -0.11 0.15 0.43 -0.75 4.34 4.06 1t11A1 ALA 149 HB3 -0.21 -0.03 -0.01 -0.04 1.41 1.12 1t11A1 THR 150 H -0.18 0.27 0.31 -0.55 8.28 8.13 1t11A1 THR 150 HA 0.03 0.16 0.77 -0.75 4.39 4.59 1t11A1 THR 150 HB 0.04 -0.01 -0.00 -0.04 4.32 4.30 1t11A1 THR 150 HG23 0.04 0.06 -0.01 -0.04 1.22 1.26 1t11A1 TRP 151 H 0.32 0.19 0.18 -0.55 7.97 8.11 1t11A1 TRP 151 HA 0.00 0.52 1.14 -0.75 4.62 5.53 1t11A1 TRP 151 HB2 -0.00 -0.03 0.05 -0.04 3.23 3.20 1t11A1 TRP 151 HB3 0.00 -0.08 -0.06 -0.04 3.23 3.05 1t11A1 TRP 151 HD1 -0.00 0.02 -0.05 -0.04 7.22 7.15 1t11A1 TRP 151 HE1 -0.01 0.06 -0.12 -0.04 10.20 10.09 1t11A1 TRP 151 HE3 0.00 -0.06 -0.63 -0.04 7.59 6.86 1t11A1 TRP 151 HZ2 -0.01 0.02 -0.10 -0.04 7.44 7.31 1t11A1 TRP 151 HZ3 0.00 0.10 0.07 -0.04 7.13 7.26 1t11A1 TRP 151 HH2 -0.00 0.08 -0.09 -0.04 7.19 7.14 1t11A1 LYS 152 H 0.18 0.38 0.31 -0.55 8.42 8.72 1t11A1 LYS 152 HA 0.11 0.12 0.81 -0.75 4.32 4.60 1t11A1 LYS 152 HB2 0.06 0.00 -0.18 -0.04 1.87 1.71 1t11A1 LYS 152 HB3 0.05 0.04 0.00 -0.04 1.79 1.84 1t11A1 LYS 152 HG2 0.05 0.05 0.11 -0.04 1.46 1.63 1t11A1 LYS 152 HG3 0.04 -0.02 0.01 -0.04 1.46 1.44 1t11A1 LYS 152 HD2 0.04 0.04 0.01 -0.04 1.69 1.73 1t11A1 LYS 152 HD3 0.05 -0.04 0.15 -0.04 1.68 1.80 1t11A1 LYS 152 HE2 0.03 0.00 0.04 -0.04 2.99 3.02 1t11A1 LYS 152 HE3 0.03 -0.01 0.05 -0.04 2.99 3.02 1t11A1 GLU 153 H 0.07 0.10 0.14 -0.55 8.60 8.36 1t11A1 GLU 153 HA 0.07 0.30 0.58 -0.75 4.29 4.48 1t11A1 GLU 153 HB2 0.04 -0.02 0.13 -0.04 2.09 2.20 1t11A1 GLU 153 HB3 0.04 -0.04 0.09 -0.04 1.99 2.04 1t11A1 GLU 153 HG2 0.04 0.01 -0.04 -0.04 2.34 2.31 1t11A1 GLU 153 HG3 0.04 0.01 0.10 -0.04 2.34 2.44 1t11A1 VAL 154 H 0.06 0.61 0.38 -0.55 8.24 8.73 1t11A1 VAL 154 HA 0.04 0.14 0.77 -0.75 4.13 4.32 1t11A1 VAL 154 HB 0.04 -0.03 -0.04 -0.04 2.12 2.04 1t11A1 VAL 154 HG13 0.05 0.07 -0.18 -0.04 0.97 0.87 1t11A1 VAL 154 HG23 0.06 -0.03 -0.25 -0.04 0.95 0.70 1t11A1 ASP 155 H 0.03 0.18 0.07 -0.55 8.40 8.13 1t11A1 ASP 155 HA 0.03 0.10 0.61 -0.75 4.63 4.61 1t11A1 ASP 155 HB2 0.02 -0.01 0.20 -0.04 2.71 2.88 1t11A1 ASP 155 HB3 0.02 0.02 0.22 -0.04 2.70 2.92 1t11A1 GLU 156 H 0.04 0.53 0.03 -0.55 8.60 8.65 1t11A1 GLU 156 HA 0.03 0.14 0.77 -0.75 4.29 4.47 1t11A1 GLU 156 HB2 0.03 -0.01 -0.27 -0.04 2.09 1.80 1t11A1 GLU 156 HB3 0.05 -0.01 -0.18 -0.04 1.99 1.81 1t11A1 GLU 156 HG2 0.04 -0.03 -0.08 -0.04 2.34 2.23 1t11A1 GLU 156 HG3 0.04 0.32 -0.06 -0.04 2.34 2.60 1t11A1 ALA 157 H 0.03 0.10 0.10 -0.55 8.40 8.09 1t11A1 ALA 157 HA 0.03 0.25 0.67 -0.75 4.34 4.54 1t11A1 ALA 157 HB3 0.02 0.02 0.02 -0.04 1.41 1.42 1t11A1 ALA 158 H 0.04 0.72 0.13 -0.55 8.40 8.75 1t11A1 ALA 158 HA 0.05 0.01 0.36 -0.75 4.34 4.00 1t11A1 ALA 158 HB3 0.06 -0.02 0.03 -0.04 1.41 1.45 1t11A1 GLU 159 H 0.06 0.22 0.25 -0.55 8.60 8.58 1t11A1 GLU 159 HA 0.03 0.10 0.79 -0.75 4.29 4.45 1t11A1 GLU 159 HB2 0.04 0.04 -0.00 -0.04 2.09 2.13 1t11A1 GLU 159 HB3 0.03 0.03 0.03 -0.04 1.99 2.04 1t11A1 GLU 159 HG2 0.03 0.07 -0.60 -0.04 2.34 1.79 1t11A1 GLU 159 HG3 0.02 -0.01 -0.08 -0.04 2.34 2.22 1t11A1 ASN 160 H 0.03 0.14 0.10 -0.55 8.53 8.26 1t11A1 ASN 160 HA 0.05 -0.07 0.21 -0.75 4.76 4.19 1t11A1 ASN 160 HB2 0.03 -0.03 0.08 -0.04 2.88 2.92 1t11A1 ASN 160 HB3 0.03 0.01 0.13 -0.04 2.79 2.92 1t11A1 ASN 160 HD21 0.02 0.03 -0.06 -0.04 7.03 6.98 1t11A1 ASN 160 HD22 0.02 -0.02 -0.03 -0.04 7.74 7.67 1t11A1 GLY 161 H 0.09 0.40 0.14 -0.55 8.43 8.51 1t11A1 GLY 161 HA2 0.14 0.02 0.33 -0.51 4.01 3.99 1t11A1 GLY 161 HA3 0.09 0.14 0.73 -0.51 4.01 4.47 1t11A1 LYS 162 H 0.11 0.61 -0.11 -0.55 8.42 8.49 1t11A1 LYS 162 HA 0.32 0.13 0.69 -0.75 4.32 4.71 1t11A1 LYS 162 HB2 0.08 -0.16 0.16 -0.04 1.87 1.92 1t11A1 LYS 162 HB3 0.11 0.05 -0.01 -0.04 1.79 1.90 1t11A1 LYS 162 HG2 0.09 0.06 -0.09 -0.04 1.46 1.48 1t11A1 LYS 162 HG3 0.07 0.06 0.01 -0.04 1.46 1.56 1t11A1 LYS 162 HD2 0.11 0.04 -0.12 -0.04 1.69 1.68 1t11A1 LYS 162 HD3 0.15 -0.01 -0.03 -0.04 1.68 1.74 1t11A1 LYS 162 HE2 0.06 0.01 -0.08 -0.04 2.99 2.93 1t11A1 LYS 162 HE3 0.06 -0.03 -0.07 -0.04 2.99 2.91 1t11A1 ARG 163 H 0.14 0.48 0.16 -0.55 8.46 8.68 1t11A1 ARG 163 HA -0.27 0.14 0.65 -0.75 4.34 4.10 1t11A1 ARG 163 HB2 -2.00 0.06 -0.08 -0.04 1.90 -0.16 1t11A1 ARG 163 HB3 -0.74 -0.06 0.09 -0.04 1.80 1.05 1t11A1 ARG 163 HG2 -0.47 -0.05 -0.32 -0.04 1.67 0.79 1t11A1 ARG 163 HG3 -0.67 0.01 -0.27 -0.04 1.67 0.71 1t11A1 ARG 163 HD2 -2.05 0.04 -0.11 -0.04 3.22 1.05 1t11A1 ARG 163 HD3 -1.03 -0.05 -0.09 -0.04 3.22 2.00 1t11A1 VAL 164 H -0.06 0.60 0.16 -0.55 8.24 8.39 1t11A1 VAL 164 HA -0.01 0.15 0.92 -0.75 4.13 4.43 1t11A1 VAL 164 HB 0.05 -0.01 0.14 -0.04 2.12 2.25 1t11A1 VAL 164 HG13 0.06 0.02 -0.25 -0.04 0.97 0.76 1t11A1 VAL 164 HG23 0.04 0.01 -0.10 -0.04 0.95 0.86 1t11A1 SER 165 H -0.03 0.56 0.28 -0.55 8.46 8.72 1t11A1 SER 165 HA -0.03 0.09 0.29 -0.75 4.49 4.09 1t11A1 SER 165 HB2 -0.06 0.05 0.01 -0.04 3.95 3.91 1t11A1 SER 165 HB3 -0.01 0.02 0.19 -0.04 3.93 4.08 1t11A1 ILE 166 H 0.09 0.29 0.21 -0.55 8.25 8.29 1t11A1 ILE 166 HA 0.06 0.09 0.90 -0.75 4.18 4.47 1t11A1 ILE 166 HB 0.14 -0.09 -0.08 -0.04 1.89 1.82 1t11A1 ILE 166 HG12 0.28 0.28 0.05 -0.04 1.49 2.06 1t11A1 ILE 166 HG13 0.34 -0.08 -0.36 -0.04 1.21 1.07 1t11A1 ILE 166 HG23 0.11 0.03 -0.46 -0.04 0.93 0.57 1t11A1 ILE 166 HD13 0.40 -0.02 -0.18 -0.04 0.88 1.04 1t11A1 ASP 167 H 0.05 0.44 0.24 -0.55 8.40 8.58 1t11A1 ASP 167 HA -0.05 0.10 0.94 -0.75 4.63 4.87 1t11A1 ASP 167 HB2 -0.00 0.05 0.19 -0.04 2.71 2.91 1t11A1 ASP 167 HB3 -0.03 0.12 0.09 -0.04 2.70 2.83 1t11A1 PHE 168 H -0.32 0.45 0.19 -0.55 8.34 8.10 1t11A1 PHE 168 HA 0.04 0.45 0.72 -0.75 4.62 5.08 1t11A1 PHE 168 HB2 0.28 -0.09 -0.18 -0.04 3.15 3.12 1t11A1 PHE 168 HB3 0.13 -0.07 -0.33 -0.04 3.06 2.76 1t11A1 PHE 168 HD2 0.21 -0.00 -0.40 -0.04 7.28 7.05 1t11A1 PHE 168 HE2 -0.40 0.05 -0.24 -0.04 7.38 6.74 1t11A1 PHE 168 HZ -0.48 0.11 -0.20 -0.04 7.32 6.71 1t11A1 VAL 169 H 0.24 0.09 0.05 -0.55 8.24 8.07 1t11A1 VAL 169 HA 0.08 0.35 0.95 -0.75 4.13 4.76 1t11A1 VAL 169 HB -0.03 0.04 -0.04 -0.04 2.12 2.04 1t11A1 VAL 169 HG13 -0.02 0.01 0.13 -0.04 0.97 1.06 1t11A1 VAL 169 HG23 -0.11 -0.01 -0.10 -0.04 0.95 0.69 1t11A1 GLY 170 H -0.09 0.82 0.27 -0.55 8.43 8.88 1t11A1 GLY 170 HA2 -0.70 0.28 0.86 -0.51 4.01 3.94 1t11A1 GLY 170 HA3 -1.26 -0.02 0.28 -0.51 4.01 2.50 1t11A1 SER 171 H -0.25 0.57 0.36 -0.55 8.46 8.60 1t11A1 SER 171 HA -0.16 -0.15 0.85 -0.75 4.49 4.28 1t11A1 SER 171 HB2 -0.04 -0.12 -0.72 -0.04 3.95 3.03 1t11A1 SER 171 HB3 -0.16 0.03 -0.34 -0.04 3.93 3.42 1t11A1 ILE 172 H 0.25 0.32 0.22 -0.55 8.25 8.49 1t11A1 ILE 172 HA 0.11 0.18 0.75 -0.75 4.18 4.47 1t11A1 ILE 172 HB 0.07 -0.08 0.24 -0.04 1.89 2.07 1t11A1 ILE 172 HG12 0.05 -0.10 0.01 -0.04 1.49 1.41 1t11A1 ILE 172 HG13 -0.11 0.03 0.05 -0.04 1.21 1.14 1t11A1 ILE 172 HG23 0.01 0.05 -0.08 -0.04 0.93 0.86 1t11A1 ILE 172 HD13 -0.12 0.00 -0.09 -0.04 0.88 0.63 1t11A1 ASP 173 H 0.04 0.12 0.07 -0.55 8.40 8.09 1t11A1 ASP 173 HA 0.02 0.24 0.81 -0.75 4.63 4.95 1t11A1 ASP 173 HB2 0.01 -0.03 0.17 -0.04 2.71 2.82 1t11A1 ASP 173 HB3 0.01 0.03 0.10 -0.04 2.70 2.79 1t11A1 GLY 174 H 0.01 0.27 -0.14 -0.55 8.43 8.02 1t11A1 GLY 174 HA2 -0.01 0.06 0.27 -0.51 4.01 3.82 1t11A1 GLY 174 HA3 -0.00 0.09 0.31 -0.51 4.01 3.89 1t11A1 VAL 175 H 0.01 -0.09 -1.73 -0.55 8.24 5.89 1t11A1 VAL 175 HA -0.01 0.17 0.70 -0.75 4.13 4.25 1t11A1 VAL 175 HB 0.03 0.02 -0.07 -0.04 2.12 2.06 1t11A1 VAL 175 HG13 0.01 0.05 0.01 -0.04 0.97 0.99 1t11A1 VAL 175 HG23 0.04 0.06 0.15 -0.04 0.95 1.16 1t11A1 GLU 176 H -0.04 0.25 0.05 -0.55 8.60 8.31 1t11A1 GLU 176 HA -0.21 0.08 0.49 -0.75 4.29 3.89 1t11A1 GLU 176 HB2 -0.09 -0.05 0.15 -0.04 2.09 2.05 1t11A1 GLU 176 HB3 -0.18 0.11 -0.04 -0.04 1.99 1.85 1t11A1 GLU 176 HG2 -0.10 0.03 -0.11 -0.04 2.34 2.13 1t11A1 GLU 176 HG3 -0.06 0.01 0.04 -0.04 2.34 2.29 1t11A1 PHE 177 H -0.22 0.06 0.34 -0.55 8.34 7.97 1t11A1 PHE 177 HA -0.03 -0.00 0.36 -0.75 4.62 4.20 1t11A1 PHE 177 HB2 -0.05 0.03 0.01 -0.04 3.15 3.10 1t11A1 PHE 177 HB3 -0.06 -0.04 0.10 -0.04 3.06 3.02 1t11A1 PHE 177 HD2 -0.03 0.01 -0.24 -0.04 7.28 6.98 1t11A1 PHE 177 HE2 0.01 0.00 -0.31 -0.04 7.38 7.05 1t11A1 PHE 177 HZ -0.02 0.01 -0.20 -0.04 7.32 7.07 1t11A1 GLU 178 H 0.13 0.07 0.15 -0.55 8.60 8.41 1t11A1 GLU 178 HA 0.04 0.06 0.46 -0.75 4.29 4.09 1t11A1 GLU 178 HB2 0.05 0.02 0.15 -0.04 2.09 2.27 1t11A1 GLU 178 HB3 0.08 -0.04 0.13 -0.04 1.99 2.12 1t11A1 GLU 178 HG2 0.03 -0.01 0.00 -0.04 2.34 2.33 1t11A1 GLU 178 HG3 0.06 0.06 -0.20 -0.04 2.34 2.22 1t11A1 GLY 179 H 0.05 0.16 0.23 -0.55 8.43 8.32 1t11A1 GLY 179 HA2 0.10 0.27 0.48 -0.51 4.01 4.35 1t11A1 GLY 179 HA3 0.17 0.03 0.55 -0.51 4.01 4.25 1t11A1 GLY 180 H 0.00 0.41 -0.31 -0.55 8.43 7.98 1t11A1 GLY 180 HA2 0.41 0.24 0.55 -0.51 4.01 4.69 1t11A1 GLY 180 HA3 -0.39 0.02 0.26 -0.51 4.01 3.39 1t11A1 LYS 181 H 0.02 0.09 -0.46 -0.55 8.42 7.51 1t11A1 LYS 181 HA -0.06 0.20 1.08 -0.75 4.32 4.79 1t11A1 LYS 181 HB2 -0.07 0.03 -0.01 -0.04 1.87 1.78 1t11A1 LYS 181 HB3 -0.07 -0.01 0.01 -0.04 1.79 1.68 1t11A1 LYS 181 HG2 -0.02 -0.19 0.09 -0.04 1.46 1.29 1t11A1 LYS 181 HG3 -0.02 0.10 0.11 -0.04 1.46 1.61 1t11A1 LYS 181 HD2 -0.03 0.03 0.01 -0.04 1.69 1.65 1t11A1 LYS 181 HD3 -0.05 0.03 -0.01 -0.04 1.68 1.60 1t11A1 LYS 181 HE2 -0.00 -0.26 0.12 -0.04 2.99 2.80 1t11A1 LYS 181 HE3 -0.00 0.08 0.07 -0.04 2.99 3.10 1t11A1 ALA 182 H -0.40 0.80 0.39 -0.55 8.40 8.64 1t11A1 ALA 182 HA -0.22 0.17 0.77 -0.75 4.34 4.31 1t11A1 ALA 182 HB3 -0.98 0.01 -0.10 -0.04 1.41 0.29 1t11A1 GLU 183 H -0.11 0.33 0.14 -0.55 8.60 8.41 1t11A1 GLU 183 HA -0.09 0.07 1.04 -0.75 4.29 4.55 1t11A1 GLU 183 HB2 -0.04 0.04 0.05 -0.04 2.09 2.10 1t11A1 GLU 183 HB3 -0.04 -0.02 0.03 -0.04 1.99 1.93 1t11A1 GLU 183 HG2 -0.07 0.05 -0.17 -0.04 2.34 2.11 1t11A1 GLU 183 HG3 -0.09 -0.09 -0.40 -0.04 2.34 1.72 1t11A1 ASN 184 H -0.01 0.11 0.09 -0.55 8.53 8.18 1t11A1 ASN 184 HA 0.01 -0.08 0.30 -0.75 4.76 4.23 1t11A1 ASN 184 HB2 -0.02 -0.06 -0.34 -0.04 2.88 2.43 1t11A1 ASN 184 HB3 -0.02 0.08 0.27 -0.04 2.79 3.09 1t11A1 ASN 184 HD21 -0.02 -0.02 -0.02 -0.04 7.03 6.93 1t11A1 ASN 184 HD22 -0.02 0.03 -0.01 -0.04 7.74 7.70 1t11A1 PHE 185 H 0.14 0.63 0.09 -0.55 8.34 8.64 1t11A1 PHE 185 HA -0.04 0.26 0.63 -0.75 4.62 4.71 1t11A1 PHE 185 HB2 -0.11 -0.00 -0.15 -0.04 3.15 2.84 1t11A1 PHE 185 HB3 0.09 -0.10 -0.00 -0.04 3.06 3.01 1t11A1 PHE 185 HD2 0.03 -0.03 -0.22 -0.04 7.28 7.03 1t11A1 PHE 185 HE2 -0.03 -0.04 -0.15 -0.04 7.38 7.13 1t11A1 PHE 185 HZ -0.03 0.00 -0.13 -0.04 7.32 7.12 1t11A1 PRO 186 HA -0.19 0.00 0.24 -0.51 4.44 3.99 1t11A1 PRO 186 HB2 -0.34 -0.01 -0.03 -0.04 2.28 1.87 1t11A1 PRO 186 HB3 -0.26 0.03 -0.01 -0.04 2.02 1.74 1t11A1 PRO 186 HG2 -0.51 -0.00 0.12 -0.04 2.03 1.59 1t11A1 PRO 186 HG3 -0.28 0.07 0.07 -0.04 2.03 1.84 1t11A1 PRO 186 HD2 -0.54 0.11 0.21 -0.04 3.68 3.42 1t11A1 PRO 186 HD3 -0.21 0.31 0.18 -0.04 3.65 3.88 1t11A1 LEU 187 H -0.04 0.56 0.12 -0.55 8.37 8.47 1t11A1 LEU 187 HA -0.01 0.11 0.63 -0.75 4.35 4.32 1t11A1 LEU 187 HB2 0.29 0.08 -0.03 -0.04 1.64 1.95 1t11A1 LEU 187 HB3 0.11 0.07 0.19 -0.04 1.64 1.97 1t11A1 LEU 187 HG 0.09 -0.11 -0.30 -0.04 1.64 1.28 1t11A1 LEU 187 HD13 0.14 -0.01 -0.13 -0.04 0.93 0.88 1t11A1 LEU 187 HD23 0.24 -0.01 -0.12 -0.04 0.89 0.96 1t11A1 GLU 188 H -0.09 0.27 0.02 -0.55 8.60 8.26 1t11A1 GLU 188 HA -0.10 0.20 0.63 -0.75 4.29 4.26 1t11A1 GLU 188 HB2 -0.14 0.07 -0.02 -0.04 2.09 1.96 1t11A1 GLU 188 HB3 -0.02 -0.08 0.14 -0.04 1.99 1.98 1t11A1 GLU 188 HG2 0.09 0.02 -0.19 -0.04 2.34 2.22 1t11A1 GLU 188 HG3 0.03 0.05 -0.19 -0.04 2.34 2.19 1t11A1 MET 189 H 0.02 0.56 0.22 -0.55 8.47 8.72 1t11A1 MET 189 HA 0.05 -0.10 0.28 -0.75 4.52 4.00 1t11A1 MET 189 HB2 0.06 0.05 0.10 -0.04 2.15 2.32 1t11A1 MET 189 HB3 0.05 -0.10 -0.23 -0.04 2.03 1.71 1t11A1 MET 189 HG2 0.04 0.24 0.11 -0.04 2.63 2.99 1t11A1 MET 189 HG3 0.05 -0.07 -0.19 -0.04 2.56 2.31 1t11A1 MET 189 HE3 0.04 0.00 -0.16 -0.04 2.10 1.95 1t11A1 GLY 190 H 0.04 0.05 0.15 -0.55 8.43 8.12 1t11A1 GLY 190 HA2 0.03 0.01 0.39 -0.51 4.01 3.92 1t11A1 GLY 190 HA3 0.04 0.16 0.60 -0.51 4.01 4.30 1t11A1 ALA 191 H 0.03 0.63 -0.27 -0.55 8.40 8.24 1t11A1 ALA 191 HA 0.03 0.14 0.43 -0.75 4.34 4.18 1t11A1 ALA 191 HB3 0.02 -0.00 0.04 -0.04 1.41 1.43 1t11A1 GLY 192 H 0.02 -0.13 -0.40 -0.55 8.43 7.37 1t11A1 GLY 192 HA2 0.01 -0.12 0.22 -0.51 4.01 3.60 1t11A1 GLY 192 HA3 0.01 0.13 0.27 -0.51 4.01 3.91 1t11A1 ARG 193 H 0.01 -0.06 -0.23 -0.55 8.46 7.63 1t11A1 ARG 193 HA 0.01 0.24 0.58 -0.75 4.34 4.42 1t11A1 ARG 193 HB2 0.04 -0.14 -0.00 -0.04 1.90 1.76 1t11A1 ARG 193 HB3 0.07 0.07 -0.02 -0.04 1.80 1.88 1t11A1 ARG 193 HG2 0.01 0.15 -0.21 -0.04 1.67 1.58 1t11A1 ARG 193 HG3 0.00 -0.07 -0.07 -0.04 1.67 1.49 1t11A1 ARG 193 HD2 0.03 0.18 -0.09 -0.04 3.22 3.30 1t11A1 ARG 193 HD3 0.01 0.02 -0.13 -0.04 3.22 3.08 1t11A1 MET 194 H -0.05 -0.13 -0.12 -0.55 8.47 7.63 1t11A1 MET 194 HA -0.19 0.17 0.84 -0.75 4.52 4.60 1t11A1 MET 194 HB2 -0.17 -0.15 -0.06 -0.04 2.15 1.73 1t11A1 MET 194 HB3 -0.62 0.12 0.11 -0.04 2.03 1.60 1t11A1 MET 194 HG2 -0.13 -0.16 -0.09 -0.04 2.63 2.22 1t11A1 MET 194 HG3 -0.77 -0.00 -0.13 -0.04 2.56 1.62 1t11A1 MET 194 HE3 -1.11 0.04 -0.36 -0.04 2.10 0.62 1t11A1 ILE 195 H -0.27 0.41 0.19 -0.55 8.25 8.03 1t11A1 ILE 195 HA -0.10 0.14 0.46 -0.75 4.18 3.93 1t11A1 ILE 195 HB -0.27 0.10 -0.01 -0.04 1.89 1.66 1t11A1 ILE 195 HG12 -0.38 0.07 0.12 -0.04 1.49 1.26 1t11A1 ILE 195 HG13 -0.26 -0.08 -0.16 -0.04 1.21 0.67 1t11A1 ILE 195 HG23 -0.36 0.03 -0.07 -0.04 0.93 0.48 1t11A1 ILE 195 HD13 -0.90 0.00 -0.18 -0.04 0.88 -0.23 1t11A1 PRO 196 HA -0.03 -0.10 0.39 -0.51 4.44 4.19 1t11A1 PRO 196 HB2 -0.04 0.06 0.11 -0.04 2.28 2.37 1t11A1 PRO 196 HB3 -0.02 0.01 0.08 -0.04 2.02 2.05 1t11A1 PRO 196 HG2 -0.02 0.05 0.09 -0.04 2.03 2.11 1t11A1 PRO 196 HG3 -0.02 0.06 0.10 -0.04 2.03 2.14 1t11A1 PRO 196 HD2 -0.07 0.12 0.18 -0.04 3.68 3.86 1t11A1 PRO 196 HD3 -0.04 0.21 0.23 -0.04 3.65 4.00 1t11A1 GLY 197 H -0.02 0.01 0.15 -0.55 8.43 8.02 1t11A1 GLY 197 HA2 -0.03 -0.02 0.33 -0.51 4.01 3.78 1t11A1 GLY 197 HA3 -0.05 0.27 0.80 -0.51 4.01 4.51 1t11A1 PHE 198 H 0.02 0.54 -0.14 -0.55 8.34 8.21 1t11A1 PHE 198 HA -0.23 0.18 0.34 -0.75 4.62 4.15 1t11A1 PHE 198 HB2 -0.35 0.17 0.04 -0.04 3.15 2.98 1t11A1 PHE 198 HB3 -0.22 -0.16 0.02 -0.04 3.06 2.65 1t11A1 PHE 198 HD2 -0.56 -0.03 -0.24 -0.04 7.28 6.40 1t11A1 PHE 198 HE2 -1.55 0.00 -0.15 -0.04 7.38 5.64 1t11A1 PHE 198 HZ -1.26 -0.00 -0.17 -0.04 7.32 5.85 1t11A1 GLU 199 H 0.10 0.08 -0.06 -0.55 8.60 8.17 1t11A1 GLU 199 HA 0.10 0.14 0.43 -0.75 4.29 4.21 1t11A1 GLU 199 HB2 0.04 -0.03 0.07 -0.04 2.09 2.13 1t11A1 GLU 199 HB3 0.05 0.01 -0.04 -0.04 1.99 1.98 1t11A1 GLU 199 HG2 0.11 0.10 -0.08 -0.04 2.34 2.43 1t11A1 GLU 199 HG3 0.09 0.01 -0.03 -0.04 2.34 2.37 1t11A1 ASP 200 H 0.00 -0.02 -0.23 -0.55 8.40 7.61 1t11A1 ASP 200 HA -0.00 0.03 0.26 -0.75 4.63 4.16 1t11A1 ASP 200 HB2 -0.03 0.18 -0.03 -0.04 2.71 2.79 1t11A1 ASP 200 HB3 -0.01 0.06 0.11 -0.04 2.70 2.81 1t11A1 GLY 201 H -0.06 0.13 -1.05 -0.55 8.43 6.90 1t11A1 GLY 201 HA2 -0.03 0.18 0.93 -0.51 4.01 4.58 1t11A1 GLY 201 HA3 -0.05 0.04 0.26 -0.51 4.01 3.75 1t11A1 ILE 202 H -0.01 0.39 0.19 -0.55 8.25 8.27 1t11A1 ILE 202 HA 0.22 0.14 0.73 -0.75 4.18 4.51 1t11A1 ILE 202 HB 0.06 -0.02 0.12 -0.04 1.89 2.01 1t11A1 ILE 202 HG12 0.08 -0.00 -0.07 -0.04 1.49 1.46 1t11A1 ILE 202 HG13 -0.16 0.15 -0.01 -0.04 1.21 1.15 1t11A1 ILE 202 HG23 0.17 -0.03 -0.11 -0.04 0.93 0.92 1t11A1 ILE 202 HD13 -0.01 -0.03 -0.10 -0.04 0.88 0.70 1t11A1 VAL 203 H 0.02 0.36 0.04 -0.55 8.24 8.10 1t11A1 VAL 203 HA 0.04 -0.03 0.32 -0.75 4.13 3.70 1t11A1 VAL 203 HB 0.02 -0.14 -0.03 -0.04 2.12 1.93 1t11A1 VAL 203 HG13 -0.00 0.04 -0.09 -0.04 0.97 0.88 1t11A1 VAL 203 HG23 0.01 0.05 -0.13 -0.04 0.95 0.83 1t11A1 GLY 204 H 0.02 0.45 0.27 -0.55 8.43 8.63 1t11A1 GLY 204 HA2 -0.00 -0.05 0.36 -0.51 4.01 3.81 1t11A1 GLY 204 HA3 -0.03 0.19 0.83 -0.51 4.01 4.49 1t11A1 LYS 205 H 0.01 0.54 -0.17 -0.55 8.42 8.23 1t11A1 LYS 205 HA -0.02 0.08 0.48 -0.75 4.32 4.10 1t11A1 LYS 205 HB2 0.15 0.10 0.11 -0.04 1.87 2.19 1t11A1 LYS 205 HB3 0.17 -0.01 0.14 -0.04 1.79 2.05 1t11A1 LYS 205 HG2 -0.68 -0.04 -0.00 -0.04 1.46 0.70 1t11A1 LYS 205 HG3 -0.27 -0.04 0.02 -0.04 1.46 1.13 1t11A1 LYS 205 HD2 -0.16 -0.11 -0.15 -0.04 1.69 1.22 1t11A1 LYS 205 HD3 -0.15 0.14 -0.00 -0.04 1.68 1.63 1t11A1 LYS 205 HE2 -0.33 0.13 -0.00 -0.04 2.99 2.74 1t11A1 LYS 205 HE3 -1.18 -0.05 0.01 -0.04 2.99 1.72 1t11A1 THR 206 H 0.06 0.19 0.23 -0.55 8.28 8.21 1t11A1 THR 206 HA 0.05 0.16 0.89 -0.75 4.39 4.74 1t11A1 THR 206 HB 0.03 0.05 -0.13 -0.04 4.32 4.23 1t11A1 THR 206 HG23 0.03 0.03 -0.02 -0.04 1.22 1.22 1t11A1 LYS 207 H 0.04 0.09 0.17 -0.55 8.42 8.17 1t11A1 LYS 207 HA 0.05 0.42 0.31 -0.75 4.32 4.34 1t11A1 LYS 207 HB2 0.04 -0.10 0.19 -0.04 1.87 1.96 1t11A1 LYS 207 HB3 0.03 -0.05 0.06 -0.04 1.79 1.80 1t11A1 LYS 207 HG2 0.03 -0.04 0.07 -0.04 1.46 1.48 1t11A1 LYS 207 HG3 0.03 0.29 0.01 -0.04 1.46 1.75 1t11A1 LYS 207 HD2 0.03 -0.10 0.12 -0.04 1.69 1.70 1t11A1 LYS 207 HD3 0.02 -0.06 0.04 -0.04 1.68 1.65 1t11A1 LYS 207 HE2 0.02 -0.04 0.08 -0.04 2.99 3.01 1t11A1 LYS 207 HE3 0.02 0.30 0.23 -0.04 2.99 3.49 1t11A1 GLY 208 H 0.04 0.32 0.11 -0.55 8.43 8.35 1t11A1 GLY 208 HA2 0.03 -0.01 0.37 -0.51 4.01 3.89 1t11A1 GLY 208 HA3 0.04 0.03 0.50 -0.51 4.01 4.07 1t11A1 MET 209 H 0.07 0.50 0.02 -0.55 8.47 8.52 1t11A1 MET 209 HA 0.11 -0.07 0.35 -0.75 4.52 4.15 1t11A1 MET 209 HB2 0.19 0.16 0.15 -0.04 2.15 2.60 1t11A1 MET 209 HB3 0.28 -0.04 -0.04 -0.04 2.03 2.20 1t11A1 MET 209 HG2 0.06 -0.02 0.09 -0.04 2.63 2.72 1t11A1 MET 209 HG3 0.06 0.16 0.12 -0.04 2.56 2.86 1t11A1 MET 209 HE3 -0.12 0.01 -0.01 -0.04 2.10 1.94 1t11A1 GLU 210 H 0.13 0.15 0.16 -0.55 8.60 8.49 1t11A1 GLU 210 HA -0.05 0.15 0.89 -0.75 4.29 4.53 1t11A1 GLU 210 HB2 0.04 -0.09 0.19 -0.04 2.09 2.19 1t11A1 GLU 210 HB3 0.00 0.04 0.06 -0.04 1.99 2.05 1t11A1 GLU 210 HG2 -0.01 0.06 0.11 -0.04 2.34 2.45 1t11A1 GLU 210 HG3 0.02 0.26 -0.12 -0.04 2.34 2.47 1t11A1 PHE 211 H -0.48 0.26 0.01 -0.55 8.34 7.57 1t11A1 PHE 211 HA 0.01 0.13 0.64 -0.75 4.62 4.64 1t11A1 PHE 211 HB2 -0.00 -0.07 0.22 -0.04 3.15 3.25 1t11A1 PHE 211 HB3 0.00 0.05 -0.14 -0.04 3.06 2.92 1t11A1 PHE 211 HD2 -0.01 0.06 -0.30 -0.04 7.28 6.99 1t11A1 PHE 211 HE2 -0.03 0.02 -0.13 -0.04 7.38 7.20 1t11A1 PHE 211 HZ -0.02 -0.02 -0.00 -0.04 7.32 7.24 1t11A1 VAL 212 H 0.34 0.25 0.24 -0.55 8.24 8.53 1t11A1 VAL 212 HA -0.03 0.27 0.98 -0.75 4.13 4.60 1t11A1 VAL 212 HB 0.03 0.01 0.01 -0.04 2.12 2.13 1t11A1 VAL 212 HG13 0.02 0.00 -0.23 -0.04 0.97 0.72 1t11A1 VAL 212 HG23 0.07 -0.01 -0.15 -0.04 0.95 0.82 1t11A1 ILE 213 H 0.05 0.38 0.35 -0.55 8.25 8.47 1t11A1 ILE 213 HA 0.07 0.12 0.80 -0.75 4.18 4.42 1t11A1 ILE 213 HB -0.02 0.05 0.13 -0.04 1.89 2.01 1t11A1 ILE 213 HG12 -0.22 -0.01 -0.08 -0.04 1.49 1.14 1t11A1 ILE 213 HG13 -0.09 -0.04 0.12 -0.04 1.21 1.17 1t11A1 ILE 213 HG23 0.27 -0.01 -0.27 -0.04 0.93 0.87 1t11A1 ILE 213 HD13 -0.31 0.00 -0.29 -0.04 0.88 0.24 1t11A1 ASP 214 H 0.01 0.10 0.19 -0.55 8.40 8.16 1t11A1 ASP 214 HA 0.06 0.37 0.98 -0.75 4.63 5.28 1t11A1 ASP 214 HB2 0.01 -0.03 0.11 -0.04 2.71 2.76 1t11A1 ASP 214 HB3 0.03 -0.04 0.21 -0.04 2.70 2.86 1t11A1 VAL 215 H 0.05 0.32 0.30 -0.55 8.24 8.36 1t11A1 VAL 215 HA -0.03 0.04 0.32 -0.75 4.13 3.71 1t11A1 VAL 215 HB -0.09 0.28 -0.03 -0.04 2.12 2.24 1t11A1 VAL 215 HG13 0.16 -0.02 -0.39 -0.04 0.97 0.69 1t11A1 VAL 215 HG23 -0.16 -0.00 -0.15 -0.04 0.95 0.60 1t11A1 THR 216 H -0.06 0.27 0.09 -0.55 8.28 8.02 1t11A1 THR 216 HA 0.09 0.17 1.00 -0.75 4.39 4.89 1t11A1 THR 216 HB 0.00 -0.07 0.09 -0.04 4.32 4.30 1t11A1 THR 216 HG23 0.05 0.15 -0.10 -0.04 1.22 1.28 1t11A1 PHE 217 H 0.38 0.36 -0.03 -0.55 8.34 8.50 1t11A1 PHE 217 HA -0.16 -0.03 0.29 -0.75 4.62 3.96 1t11A1 PHE 217 HB2 -0.08 0.23 -0.14 -0.04 3.15 3.11 1t11A1 PHE 217 HB3 -0.17 -0.04 -0.19 -0.04 3.06 2.62 1t11A1 PHE 217 HD2 -0.62 0.15 -0.04 -0.04 7.28 6.73 1t11A1 PHE 217 HE2 -0.09 -0.08 -0.17 -0.04 7.38 6.99 1t11A1 PHE 217 HZ 0.16 -0.01 -0.22 -0.04 7.32 7.21 1t11A1 PRO 218 HA 0.04 0.06 0.59 -0.51 4.44 4.62 1t11A1 PRO 218 HB2 0.12 -0.07 -0.02 -0.04 2.28 2.27 1t11A1 PRO 218 HB3 0.05 0.03 0.08 -0.04 2.02 2.14 1t11A1 PRO 218 HG2 -0.01 0.03 0.05 -0.04 2.03 2.06 1t11A1 PRO 218 HG3 -0.05 0.09 0.08 -0.04 2.03 2.12 1t11A1 PRO 218 HD2 -0.09 0.02 0.14 -0.04 3.68 3.71 1t11A1 PRO 218 HD3 -0.25 0.11 0.17 -0.04 3.65 3.64 1t11A1 GLU 219 H 0.05 0.09 0.22 -0.55 8.60 8.41 1t11A1 GLU 219 HA 0.06 0.25 0.40 -0.75 4.29 4.24 1t11A1 GLU 219 HB2 0.04 -0.04 0.05 -0.04 2.09 2.09 1t11A1 GLU 219 HB3 0.03 -0.02 0.11 -0.04 1.99 2.08 1t11A1 GLU 219 HG2 0.03 0.01 0.18 -0.04 2.34 2.52 1t11A1 GLU 219 HG3 0.02 -0.03 0.07 -0.04 2.34 2.37 1t11A1 ASP 220 H 0.09 -0.07 -0.79 -0.55 8.40 7.08 1t11A1 ASP 220 HA 0.07 0.25 0.90 -0.75 4.63 5.09 1t11A1 TYR 221 H 0.22 0.55 -0.10 -0.55 8.29 8.42 1t11A1 TYR 221 HA 0.12 0.07 0.59 -0.75 4.56 4.58 1t11A1 TYR 221 HB2 0.17 0.14 0.07 -0.04 3.06 3.40 1t11A1 TYR 221 HB3 0.09 -0.03 -0.06 -0.04 2.98 2.94 1t11A1 TYR 221 HD2 0.08 0.03 -0.05 -0.04 7.15 7.16 1t11A1 TYR 221 HE2 0.16 0.09 -0.08 -0.04 6.85 6.98 1t11A1 HIS 222 H -0.12 0.18 0.13 -0.55 8.41 8.06 1t11A1 HIS 222 HA -0.10 0.13 0.27 -0.75 4.63 4.18 1t11A1 HIS 222 HB2 -0.11 0.02 0.12 -0.04 3.26 3.24 1t11A1 HIS 222 HB3 -0.18 0.06 0.14 -0.04 3.20 3.18 1t11A1 HIS 222 HD2 -0.09 0.01 -0.03 -0.04 6.97 6.81 1t11A1 HIS 222 HE1 -0.20 -0.02 -0.07 -0.04 7.75 7.42 1t11A1 ALA 223 H -0.52 0.06 -0.52 -0.55 8.40 6.87 1t11A1 ALA 223 HA -0.52 0.14 0.64 -0.75 4.34 3.85 1t11A1 ALA 223 HB3 -0.19 0.01 0.03 -0.04 1.41 1.22 1t11A1 GLU 224 H -0.19 0.31 0.20 -0.55 8.60 8.37 1t11A1 GLU 224 HA -0.07 0.13 0.30 -0.75 4.29 3.89 1t11A1 GLU 224 HB2 -0.08 0.08 0.15 -0.04 2.09 2.20 1t11A1 GLU 224 HB3 -0.08 -0.03 0.07 -0.04 1.99 1.91 1t11A1 GLU 224 HG2 -0.04 -0.00 0.03 -0.04 2.34 2.29 1t11A1 GLU 224 HG3 -0.05 -0.01 0.08 -0.04 2.34 2.32 1t11A1 ASN 225 H -0.14 -0.02 -0.80 -0.55 8.53 7.02 1t11A1 ASN 225 HA -0.09 0.24 0.91 -0.75 4.76 5.07 1t11A1 ASN 225 HB2 -0.13 -0.01 -0.04 -0.04 2.88 2.67 1t11A1 ASN 225 HB3 -0.10 0.01 0.12 -0.04 2.79 2.77 1t11A1 ASN 225 HD21 -0.05 0.03 -0.06 -0.04 7.03 6.91 1t11A1 ASN 225 HD22 -0.08 -0.01 -0.05 -0.04 7.74 7.56 1t11A1 LEU 226 H -0.16 0.66 0.06 -0.55 8.37 8.38 1t11A1 LEU 226 HA -0.40 0.19 0.89 -0.75 4.35 4.28 1t11A1 LEU 226 HB2 -0.34 -0.01 -0.02 -0.04 1.64 1.23 1t11A1 LEU 226 HB3 -1.67 0.03 0.02 -0.04 1.64 -0.03 1t11A1 LEU 226 HG -0.43 -0.13 -0.45 -0.04 1.64 0.59 1t11A1 LEU 226 HD13 -0.50 0.00 -0.13 -0.04 0.93 0.26 1t11A1 LEU 226 HD23 -1.08 0.04 -0.08 -0.04 0.89 -0.27 1t11A1 LYS 227 H -0.06 0.19 -0.00 -0.55 8.42 7.99 1t11A1 LYS 227 HA 0.11 0.05 0.22 -0.75 4.32 3.94 1t11A1 LYS 227 HB2 -0.01 -0.08 -0.06 -0.04 1.87 1.67 1t11A1 LYS 227 HB3 0.03 0.05 -0.07 -0.04 1.79 1.76 1t11A1 LYS 227 HG2 0.03 0.13 -0.03 -0.04 1.46 1.56 1t11A1 LYS 227 HG3 -0.02 -0.03 -0.06 -0.04 1.46 1.31 1t11A1 LYS 227 HD2 0.01 0.02 0.00 -0.04 1.69 1.68 1t11A1 LYS 227 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 1t11A1 LYS 227 HE2 -0.02 -0.04 0.02 -0.04 2.99 2.91 1t11A1 LYS 227 HE3 -0.03 0.16 0.07 -0.04 2.99 3.14 1t11A1 GLY 228 H -0.02 -0.26 -0.51 -0.55 8.43 7.09 1t11A1 GLY 228 HA2 0.09 0.41 0.45 -0.51 4.01 4.45 1t11A1 GLY 228 HA3 0.04 -0.09 0.18 -0.51 4.01 3.62 1t11A1 LYS 229 H -0.03 -0.17 -0.03 -0.55 8.42 7.64 1t11A1 LYS 229 HA 0.01 -0.05 0.38 -0.75 4.32 3.91 1t11A1 LYS 229 HB2 -0.15 0.00 0.11 -0.04 1.87 1.79 1t11A1 LYS 229 HB3 -0.05 0.09 0.09 -0.04 1.79 1.88 1t11A1 LYS 229 HG2 -0.03 -0.00 0.06 -0.04 1.46 1.44 1t11A1 LYS 229 HG3 -0.06 -0.14 0.00 -0.04 1.46 1.22 1t11A1 LYS 229 HD2 -0.14 0.27 0.10 -0.04 1.69 1.88 1t11A1 LYS 229 HD3 -0.07 -0.04 0.06 -0.04 1.68 1.59 1t11A1 LYS 229 HE2 -0.06 0.00 0.04 -0.04 2.99 2.93 1t11A1 LYS 229 HE3 -0.04 -0.03 0.01 -0.04 2.99 2.89 1t11A1 ALA 230 H 0.04 0.00 0.26 -0.55 8.40 8.16 1t11A1 ALA 230 HA 0.12 0.15 0.90 -0.75 4.34 4.76 1t11A1 ALA 230 HB3 0.05 -0.02 0.18 -0.04 1.41 1.57 1t11A1 ALA 231 H 0.14 0.58 0.41 -0.55 8.40 8.99 1t11A1 ALA 231 HA 0.10 0.22 0.82 -0.75 4.34 4.73 1t11A1 ALA 231 HB3 0.27 -0.03 -0.13 -0.04 1.41 1.48 1t11A1 LYS 232 H 0.00 0.37 0.29 -0.55 8.42 8.53 1t11A1 LYS 232 HA 0.11 0.34 0.92 -0.75 4.32 4.93 1t11A1 LYS 232 HB2 0.00 -0.01 0.07 -0.04 1.87 1.90 1t11A1 LYS 232 HB3 0.02 -0.03 -0.03 -0.04 1.79 1.71 1t11A1 LYS 232 HG2 0.05 0.08 -0.01 -0.04 1.46 1.54 1t11A1 LYS 232 HG3 0.04 -0.01 -0.36 -0.04 1.46 1.08 1t11A1 LYS 232 HD2 0.02 -0.03 -0.08 -0.04 1.69 1.56 1t11A1 LYS 232 HD3 0.03 -0.02 -0.11 -0.04 1.68 1.53 1t11A1 LYS 232 HE2 0.03 -0.02 -0.08 -0.04 2.99 2.88 1t11A1 LYS 232 HE3 0.02 0.00 -0.06 -0.04 2.99 2.92 1t11A1 PHE 233 H 0.23 0.45 0.27 -0.55 8.34 8.73 1t11A1 PHE 233 HA 0.02 0.26 0.86 -0.75 4.62 5.01 1t11A1 PHE 233 HB2 -0.27 0.01 0.05 -0.04 3.15 2.91 1t11A1 PHE 233 HB3 -0.02 -0.03 -0.16 -0.04 3.06 2.81 1t11A1 PHE 233 HD2 0.00 0.03 -0.21 -0.04 7.28 7.06 1t11A1 PHE 233 HE2 0.12 0.09 -0.18 -0.04 7.38 7.36 1t11A1 PHE 233 HZ 0.39 -0.00 -0.21 -0.04 7.32 7.46 1t11A1 ALA 234 H 0.06 0.42 0.16 -0.55 8.40 8.49 1t11A1 ALA 234 HA -0.04 0.19 0.90 -0.75 4.34 4.64 1t11A1 ALA 234 HB3 -0.01 -0.01 0.22 -0.04 1.41 1.56 1t11A1 ILE 235 H -0.21 0.21 0.05 -0.55 8.25 7.74 1t11A1 ILE 235 HA 0.03 0.10 0.39 -0.75 4.18 3.95 1t11A1 ILE 235 HB -0.93 -0.02 -0.06 -0.04 1.89 0.84 1t11A1 ILE 235 HG12 -0.28 0.12 -0.01 -0.04 1.49 1.28 1t11A1 ILE 235 HG13 -0.27 0.01 -0.08 -0.04 1.21 0.83 1t11A1 ILE 235 HG23 -0.06 -0.13 -0.03 -0.04 0.93 0.67 1t11A1 ILE 235 HD13 -0.13 -0.04 -0.19 -0.04 0.88 0.48 1t11A1 LYS 236 H -0.08 -0.02 0.01 -0.55 8.42 7.77 1t11A1 LYS 236 HA -0.09 0.24 0.56 -0.75 4.32 4.28 1t11A1 LYS 236 HB2 -0.05 0.27 0.24 -0.04 1.87 2.29 1t11A1 LYS 236 HB3 -0.01 -0.07 0.14 -0.04 1.79 1.80 1t11A1 LYS 236 HG2 0.00 -0.10 -0.21 -0.04 1.46 1.11 1t11A1 LYS 236 HG3 -0.00 0.12 -0.00 -0.04 1.46 1.54 1t11A1 LYS 236 HD2 -0.01 0.03 0.02 -0.04 1.69 1.70 1t11A1 LYS 236 HD3 -0.01 -0.07 0.04 -0.04 1.68 1.61 1t11A1 LYS 236 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.92 1t11A1 LYS 236 HE3 0.00 -0.07 -0.03 -0.04 2.99 2.85 1t11A1 VAL 237 H 0.04 0.40 0.06 -0.55 8.24 8.19 1t11A1 VAL 237 HA 0.06 0.07 0.41 -0.75 4.13 3.91 1t11A1 VAL 237 HB 0.10 0.24 -0.11 -0.04 2.12 2.31 1t11A1 VAL 237 HG13 0.07 -0.05 -0.39 -0.04 0.97 0.55 1t11A1 VAL 237 HG23 0.17 -0.02 -0.08 -0.04 0.95 0.98 1t11A1 ASN 238 H 0.03 0.27 0.44 -0.55 8.53 8.73 1t11A1 ASN 238 HA 0.02 0.01 0.33 -0.75 4.76 4.36 1t11A1 ASN 238 HB2 0.02 -0.01 -0.21 -0.04 2.88 2.64 1t11A1 ASN 238 HB3 0.01 -0.02 -0.10 -0.04 2.79 2.64 1t11A1 ASN 238 HD21 -0.00 -0.01 -0.03 -0.04 7.03 6.95 1t11A1 ASN 238 HD22 0.00 0.01 -0.05 -0.04 7.74 7.66 1t11A1 LYS 239 H 0.02 0.35 -0.04 -0.55 8.42 8.20 1t11A1 LYS 239 HA 0.03 0.03 0.49 -0.75 4.32 4.11 1t11A1 LYS 239 HB2 0.02 0.00 -0.02 -0.04 1.87 1.84 1t11A1 LYS 239 HB3 0.02 0.16 0.10 -0.04 1.79 2.02 1t11A1 LYS 239 HG2 0.00 -0.10 -0.27 -0.04 1.46 1.05 1t11A1 LYS 239 HG3 -0.01 -0.04 -0.02 -0.04 1.46 1.34 1t11A1 LYS 239 HD2 0.01 0.04 -0.07 -0.04 1.69 1.63 1t11A1 LYS 239 HD3 -0.01 0.00 -0.07 -0.04 1.68 1.56 1t11A1 LYS 239 HE2 0.02 -0.01 -0.07 -0.04 2.99 2.88 1t11A1 LYS 239 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 1t11A1 VAL 240 H 0.04 0.17 0.20 -0.55 8.24 8.09 1t11A1 VAL 240 HA 0.03 0.13 0.86 -0.75 4.13 4.40 1t11A1 VAL 240 HB 0.05 0.08 0.25 -0.04 2.12 2.45 1t11A1 VAL 240 HG13 0.06 -0.00 -0.29 -0.04 0.97 0.70 1t11A1 VAL 240 HG23 0.05 0.01 -0.05 -0.04 0.95 0.92 1t11A1 GLU 241 H 0.04 0.50 0.21 -0.55 8.60 8.80 1t11A1 GLU 241 HA 0.13 0.17 0.69 -0.75 4.29 4.52 1t11A1 GLU 241 HB2 -0.02 0.13 0.08 -0.04 2.09 2.25 1t11A1 GLU 241 HB3 0.33 -0.01 -0.12 -0.04 1.99 2.15 1t11A1 GLU 241 HG2 0.10 -0.09 -0.32 -0.04 2.34 1.98 1t11A1 GLU 241 HG3 0.03 -0.03 -0.39 -0.04 2.34 1.90 1t11A1 ALA 242 H 0.22 0.43 0.22 -0.55 8.40 8.72 1t11A1 ALA 242 HA 0.28 0.14 0.91 -0.75 4.34 4.91 1t11A1 ALA 242 HB3 0.07 0.02 -0.01 -0.04 1.41 1.45 1t11A1 ARG 243 H -0.13 0.17 0.15 -0.55 8.46 8.10 1t11A1 ARG 243 HA -0.82 0.25 0.89 -0.75 4.34 3.90 1t11A1 ARG 243 HB2 -1.91 0.04 -0.01 -0.04 1.90 -0.02 1t11A1 ARG 243 HB3 -0.49 -0.01 0.12 -0.04 1.80 1.38 1t11A1 ARG 243 HG2 -0.44 -0.03 -0.12 -0.04 1.67 1.04 1t11A1 ARG 243 HG3 -0.54 -0.00 -0.31 -0.04 1.67 0.77 1t11A1 ARG 243 HD2 -0.58 0.04 -0.14 -0.04 3.22 2.50 1t11A1 ARG 243 HD3 -2.05 -0.00 -0.16 -0.04 3.22 0.97 1t11A1 GLU 244 H -0.35 0.52 0.25 -0.55 8.60 8.48 1t11A1 GLU 244 HA -0.14 0.14 1.00 -0.75 4.29 4.54 1t11A1 GLU 244 HB2 -0.09 -0.02 -0.08 -0.04 2.09 1.86 1t11A1 GLU 244 HB3 -0.10 0.04 0.21 -0.04 1.99 2.10 1t11A1 GLU 244 HG2 -0.05 -0.04 -0.06 -0.04 2.34 2.15 1t11A1 GLU 244 HG3 -0.07 0.04 -0.30 -0.04 2.34 1.97 1t11A1 LEU 245 H -0.14 0.14 0.06 -0.55 8.37 7.88 1t11A1 LEU 245 HA -0.12 0.17 0.65 -0.75 4.35 4.30 1t11A1 LEU 245 HB2 -0.12 -0.05 0.06 -0.04 1.64 1.49 1t11A1 LEU 245 HB3 -0.13 0.08 -0.05 -0.04 1.64 1.50 1t11A1 LEU 245 HG -0.14 0.05 -0.09 -0.04 1.64 1.42 1t11A1 LEU 245 HD13 -0.20 -0.04 -0.14 -0.04 0.93 0.51 1t11A1 LEU 245 HD23 -0.10 -0.01 -0.04 -0.04 0.89 0.70 1t11A1 PRO 246 HA -0.05 0.02 0.39 -0.51 4.44 4.29 1t11A1 PRO 246 HB2 0.04 0.03 0.03 -0.04 2.28 2.34 1t11A1 PRO 246 HB3 0.06 0.04 0.09 -0.04 2.02 2.17 1t11A1 PRO 246 HG2 -0.18 -0.05 -0.00 -0.04 2.03 1.76 1t11A1 PRO 246 HG3 0.16 0.09 0.06 -0.04 2.03 2.30 1t11A1 PRO 246 HD2 -0.07 0.12 0.15 -0.04 3.68 3.84 1t11A1 PRO 246 HD3 -0.02 0.23 0.03 -0.04 3.65 3.85 1t11A1 GLU 247 H -0.05 0.07 0.13 -0.55 8.60 8.21 1t11A1 GLU 247 HA -0.12 0.12 0.50 -0.75 4.29 4.04 1t11A1 GLU 247 HB2 -0.02 -0.02 0.13 -0.04 2.09 2.14 1t11A1 GLU 247 HB3 -0.04 -0.08 -0.13 -0.04 1.99 1.71 1t11A1 GLU 247 HG2 -0.05 0.04 0.02 -0.04 2.34 2.31 1t11A1 GLU 247 HG3 -0.04 0.05 0.02 -0.04 2.34 2.33 1t11A1 LEU 248 H -0.14 0.19 0.10 -0.55 8.37 7.97 1t11A1 LEU 248 HA -0.37 0.15 0.75 -0.75 4.35 4.12 1t11A1 LEU 248 HB2 -0.27 0.10 0.01 -0.04 1.64 1.44 1t11A1 LEU 248 HB3 -0.12 -0.02 0.20 -0.04 1.64 1.66 1t11A1 LEU 248 HG -0.05 -0.05 -0.07 -0.04 1.64 1.43 1t11A1 LEU 248 HD13 -0.06 0.01 -0.11 -0.04 0.93 0.72 1t11A1 LEU 248 HD23 -0.08 0.01 -0.03 -0.04 0.89 0.75 1t11A1 ASN 249 H 0.06 0.20 0.02 -0.55 8.53 8.26 1t11A1 ASN 249 HA 0.02 0.27 0.77 -0.75 4.76 5.07 1t11A1 ASN 249 HB2 0.02 -0.16 0.17 -0.04 2.88 2.86 1t11A1 ASN 249 HB3 0.00 0.14 -0.16 -0.04 2.79 2.74 1t11A1 ASN 249 HD21 0.03 0.07 -0.09 -0.04 7.03 7.00 1t11A1 ASN 249 HD22 -0.00 0.06 -0.17 -0.04 7.74 7.59 1t11A1 ASP 250 H 0.03 0.20 0.13 -0.55 8.40 8.21 1t11A1 ASP 250 HA 0.04 0.11 0.34 -0.75 4.63 4.37 1t11A1 ASP 250 HB2 0.02 -0.02 0.11 -0.04 2.71 2.77 1t11A1 ASP 250 HB3 0.01 0.05 0.03 -0.04 2.70 2.75 1t11A1 GLU 251 H 0.04 0.08 -0.16 -0.55 8.60 8.01 1t11A1 GLU 251 HA -0.01 0.12 0.55 -0.75 4.29 4.19 1t11A1 GLU 251 HB2 0.01 0.01 0.06 -0.04 2.09 2.13 1t11A1 GLU 251 HB3 0.03 0.02 0.02 -0.04 1.99 2.02 1t11A1 GLU 251 HG2 -0.01 0.04 -0.01 -0.04 2.34 2.32 1t11A1 GLU 251 HG3 -0.01 0.06 -0.15 -0.04 2.34 2.19 1t11A1 PHE 252 H 0.18 0.05 -0.22 -0.55 8.34 7.80 1t11A1 PHE 252 HA -0.04 0.10 0.40 -0.75 4.62 4.33 1t11A1 PHE 252 HB2 -0.01 0.09 0.16 -0.04 3.15 3.35 1t11A1 PHE 252 HB3 0.01 -0.09 0.14 -0.04 3.06 3.08 1t11A1 PHE 252 HD2 0.03 -0.04 -0.11 -0.04 7.28 7.12 1t11A1 PHE 252 HE2 0.05 0.01 -0.03 -0.04 7.38 7.37 1t11A1 PHE 252 HZ 0.05 -0.01 -0.22 -0.04 7.32 7.10 1t11A1 VAL 253 H 0.06 0.16 -0.65 -0.55 8.24 7.27 1t11A1 VAL 253 HA -0.09 0.28 0.94 -0.75 4.13 4.50 1t11A1 VAL 253 HB 0.19 -0.05 0.02 -0.04 2.12 2.24 1t11A1 VAL 253 HG13 0.33 0.03 -0.22 -0.04 0.97 1.07 1t11A1 VAL 253 HG23 0.08 0.01 -0.16 -0.04 0.95 0.84 1t11A1 ALA 254 H -0.10 0.31 -0.06 -0.55 8.40 8.01 1t11A1 ALA 254 HA -0.05 0.02 0.43 -0.75 4.34 3.99 1t11A1 ALA 254 HB3 -0.08 0.03 0.13 -0.04 1.41 1.45 1t11A1 ARG 255 H -0.35 0.20 -0.13 -0.55 8.46 7.62 1t11A1 ARG 255 HA -0.19 0.03 0.31 -0.75 4.34 3.73 1t11A1 ARG 255 HB2 -0.41 0.02 0.06 -0.04 1.90 1.53 1t11A1 ARG 255 HB3 -0.30 -0.01 0.07 -0.04 1.80 1.52 1t11A1 ARG 255 HG2 -0.62 -0.02 -0.07 -0.04 1.67 0.92 1t11A1 ARG 255 HG3 -1.82 0.04 -0.25 -0.04 1.67 -0.40 1t11A1 ARG 255 HD2 -0.52 -0.00 -0.07 -0.04 3.22 2.59 1t11A1 ARG 255 HD3 -0.34 -0.02 -0.02 -0.04 3.22 2.80 1t11A1 PHE 256 H -0.17 0.29 -1.09 -0.55 8.34 6.82 1t11A1 PHE 256 HA -0.03 0.23 0.96 -0.75 4.62 5.03 1t11A1 PHE 256 HB2 -0.03 0.14 -0.01 -0.04 3.15 3.20 1t11A1 PHE 256 HB3 -0.02 -0.14 0.03 -0.04 3.06 2.89 1t11A1 PHE 256 HD2 -0.07 0.07 -0.11 -0.04 7.28 7.13 1t11A1 PHE 256 HE2 -0.17 0.06 -0.13 -0.04 7.38 7.10 1t11A1 PHE 256 HZ -0.12 0.03 -0.05 -0.04 7.32 7.13 1t11A1 GLY 257 H 0.01 0.71 0.18 -0.55 8.43 8.79 1t11A1 GLY 257 HA2 0.05 -0.01 0.40 -0.51 4.01 3.94 1t11A1 GLY 257 HA3 0.02 0.04 0.34 -0.51 4.01 3.90 1t11A1 VAL 258 H 0.03 0.15 0.17 -0.55 8.24 8.04 1t11A1 VAL 258 HA 0.02 0.01 0.40 -0.75 4.13 3.81 1t11A1 VAL 258 HB 0.01 -0.01 0.09 -0.04 2.12 2.17 1t11A1 VAL 258 HG13 0.01 0.01 -0.05 -0.04 0.97 0.91 1t11A1 VAL 258 HG23 0.02 0.00 0.11 -0.04 0.95 1.03 1t11A1 ALA 259 H 0.01 0.02 -0.56 -0.55 8.40 7.33 1t11A1 ALA 259 HA 0.01 0.18 0.70 -0.75 4.34 4.47 1t11A1 ALA 259 HB3 0.00 0.00 0.06 -0.04 1.41 1.43 1t11A1 GLU 260 H 0.02 0.48 -0.56 -0.55 8.60 7.99 1t11A1 GLU 260 HA -0.00 0.04 0.45 -0.75 4.29 4.03 1t11A1 GLU 260 HB2 -0.00 -0.08 0.04 -0.04 2.09 2.01 1t11A1 GLU 260 HB3 -0.04 0.00 0.00 -0.04 1.99 1.92 1t11A1 GLU 260 HG2 -0.01 -0.00 -0.79 -0.04 2.34 1.50 1t11A1 GLU 260 HG3 -0.03 -0.01 -0.09 -0.04 2.34 2.17 1t11A1 GLY 261 H 0.02 0.13 0.00 -0.55 8.43 8.03 1t11A1 GLY 261 HA2 0.04 -0.02 0.41 -0.51 4.01 3.92 1t11A1 GLY 261 HA3 0.08 0.20 0.43 -0.51 4.01 4.21 1t11A1 GLY 262 H 0.08 1.02 -0.55 -0.55 8.43 8.43 1t11A1 GLY 262 HA2 0.06 0.23 0.04 -0.51 4.01 3.83 1t11A1 GLY 262 HA3 0.03 -0.03 0.36 -0.51 4.01 3.85 1t11A1 VAL 263 H 0.01 0.14 0.16 -0.55 8.24 8.00 1t11A1 VAL 263 HA -0.06 0.09 0.39 -0.75 4.13 3.80 1t11A1 VAL 263 HB -0.02 0.05 0.03 -0.04 2.12 2.13 1t11A1 VAL 263 HG13 -0.05 -0.01 -0.01 -0.04 0.97 0.87 1t11A1 VAL 263 HG23 -0.01 0.01 0.10 -0.04 0.95 1.02 1t11A1 ASP 264 H -0.01 0.16 -0.15 -0.55 8.40 7.85 1t11A1 ASP 264 HA -0.03 0.03 0.38 -0.75 4.63 4.25 1t11A1 ASP 264 HB2 0.00 0.17 0.08 -0.04 2.71 2.92 1t11A1 ASP 264 HB3 -0.01 0.02 0.04 -0.04 2.70 2.71 1t11A1 ALA 265 H 0.02 0.41 -0.43 -0.55 8.40 7.84 1t11A1 ALA 265 HA 0.03 0.03 0.41 -0.75 4.34 4.06 1t11A1 ALA 265 HB3 0.16 0.05 0.06 -0.04 1.41 1.64 1t11A1 LEU 266 H -0.16 0.39 -0.22 -0.55 8.37 7.83 1t11A1 LEU 266 HA -1.10 0.08 0.43 -0.75 4.35 3.00 1t11A1 LEU 266 HB2 -1.06 0.04 0.05 -0.04 1.64 0.63 1t11A1 LEU 266 HB3 -0.32 0.03 0.19 -0.04 1.64 1.50 1t11A1 LEU 266 HG -0.29 -0.03 -0.28 -0.04 1.64 1.00 1t11A1 LEU 266 HD13 -0.66 0.02 -0.04 -0.04 0.93 0.21 1t11A1 LEU 266 HD23 -0.19 -0.02 -0.05 -0.04 0.89 0.60 1t11A1 LYS 267 H -0.15 0.86 0.05 -0.55 8.42 8.63 1t11A1 LYS 267 HA -0.10 -0.02 0.41 -0.75 4.32 3.85 1t11A1 LYS 267 HB2 -0.06 0.08 0.13 -0.04 1.87 1.99 1t11A1 LYS 267 HB3 -0.05 -0.03 0.00 -0.04 1.79 1.67 1t11A1 LYS 267 HG2 -0.07 -0.07 0.01 -0.04 1.46 1.29 1t11A1 LYS 267 HG3 -0.07 0.19 -0.02 -0.04 1.46 1.52 1t11A1 LYS 267 HD2 -0.04 -0.00 -0.04 -0.04 1.69 1.57 1t11A1 LYS 267 HD3 -0.04 -0.06 -0.07 -0.04 1.68 1.47 1t11A1 LYS 267 HE2 -0.03 -0.07 -0.13 -0.04 2.99 2.72 1t11A1 LYS 267 HE3 -0.03 0.06 -0.03 -0.04 2.99 2.95 1t11A1 ALA 268 H -0.06 0.58 -0.30 -0.55 8.40 8.07 1t11A1 ALA 268 HA -0.02 -0.02 0.41 -0.75 4.34 3.95 1t11A1 ALA 268 HB3 -0.01 0.05 0.13 -0.04 1.41 1.55 1t11A1 GLU 269 H -0.07 0.45 -0.24 -0.55 8.60 8.19 1t11A1 GLU 269 HA 0.01 0.00 0.40 -0.75 4.29 3.95 1t11A1 GLU 269 HB2 0.07 0.07 0.16 -0.04 2.09 2.35 1t11A1 GLU 269 HB3 -0.13 0.10 0.18 -0.04 1.99 2.11 1t11A1 GLU 269 HG2 0.18 -0.01 -0.00 -0.04 2.34 2.46 1t11A1 GLU 269 HG3 0.04 -0.02 -0.07 -0.04 2.34 2.24 1t11A1 VAL 270 H -0.09 0.55 -0.06 -0.55 8.24 8.08 1t11A1 VAL 270 HA -0.02 0.06 0.46 -0.75 4.13 3.88 1t11A1 VAL 270 HB -0.06 0.05 0.17 -0.04 2.12 2.24 1t11A1 VAL 270 HG13 -0.02 -0.02 -0.06 -0.04 0.97 0.83 1t11A1 VAL 270 HG23 -0.08 0.03 0.07 -0.04 0.95 0.92 1t11A1 ARG 271 H -0.03 0.62 -0.09 -0.55 8.46 8.40 1t11A1 ARG 271 HA -0.01 -0.01 0.44 -0.75 4.34 4.01 1t11A1 ARG 271 HB2 -0.01 0.11 0.18 -0.04 1.90 2.14 1t11A1 ARG 271 HB3 -0.01 -0.04 0.01 -0.04 1.80 1.72 1t11A1 ARG 271 HG2 -0.02 -0.06 0.02 -0.04 1.67 1.57 1t11A1 ARG 271 HG3 -0.03 0.23 0.07 -0.04 1.67 1.91 1t11A1 ARG 271 HD2 -0.01 0.01 -0.02 -0.04 3.22 3.16 1t11A1 ARG 271 HD3 -0.01 0.00 -0.03 -0.04 3.22 3.14 1t11A1 LYS 272 H -0.01 0.69 -0.04 -0.55 8.42 8.51 1t11A1 LYS 272 HA -0.00 -0.04 0.35 -0.75 4.32 3.87 1t11A1 LYS 272 HB2 0.00 0.04 0.14 -0.04 1.87 2.02 1t11A1 LYS 272 HB3 0.01 0.18 0.17 -0.04 1.79 2.11 1t11A1 LYS 272 HG2 0.01 0.00 -0.16 -0.04 1.46 1.27 1t11A1 LYS 272 HG3 0.00 -0.05 0.05 -0.04 1.46 1.42 1t11A1 LYS 272 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.63 1t11A1 LYS 272 HD3 0.01 0.02 -0.00 -0.04 1.68 1.67 1t11A1 LYS 272 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 1t11A1 LYS 272 HE3 0.00 0.01 -0.02 -0.04 2.99 2.94 1t11A1 ASN 273 H 0.00 0.41 -0.38 -0.55 8.53 8.02 1t11A1 ASN 273 HA 0.01 0.06 0.61 -0.75 4.76 4.69 1t11A1 ASN 273 HB2 0.01 0.08 0.20 -0.04 2.88 3.13 1t11A1 ASN 273 HB3 0.02 -0.03 0.05 -0.04 2.79 2.79 1t11A1 ASN 273 HD21 0.04 -0.05 -0.02 -0.04 7.03 6.95 1t11A1 ASN 273 HD22 0.03 -0.06 -0.01 -0.04 7.74 7.65 1t11A1 MET 274 H 0.00 0.67 0.09 -0.55 8.47 8.69 1t11A1 MET 274 HA 0.01 -0.02 0.44 -0.75 4.52 4.20 1t11A1 MET 274 HB2 -0.00 0.09 0.24 -0.04 2.15 2.44 1t11A1 MET 274 HB3 0.00 -0.08 -0.01 -0.04 2.03 1.90 1t11A1 MET 274 HG2 0.01 -0.02 0.08 -0.04 2.63 2.65 1t11A1 MET 274 HG3 0.00 0.13 0.08 -0.04 2.56 2.73 1t11A1 MET 274 HE3 -0.01 -0.02 -0.06 -0.04 2.10 1.97 1t11A1 GLU 275 H 0.00 0.66 -0.24 -0.55 8.60 8.47 1t11A1 GLU 275 HA 0.00 -0.02 0.43 -0.75 4.29 3.95 1t11A1 GLU 275 HB2 0.00 0.20 0.11 -0.04 2.09 2.36 1t11A1 GLU 275 HB3 0.00 -0.05 0.01 -0.04 1.99 1.91 1t11A1 GLU 275 HG2 0.00 0.01 0.16 -0.04 2.34 2.48 1t11A1 GLU 275 HG3 0.00 0.08 0.02 -0.04 2.34 2.39 1t11A1 ARG 276 H 0.01 0.36 -0.19 -0.55 8.46 8.08 1t11A1 ARG 276 HA 0.01 -0.00 0.44 -0.75 4.34 4.03 1t11A1 ARG 276 HB2 0.01 0.02 0.19 -0.04 1.90 2.08 1t11A1 ARG 276 HB3 0.01 0.20 0.25 -0.04 1.80 2.23 1t11A1 ARG 276 HG2 0.02 0.00 -0.11 -0.04 1.67 1.54 1t11A1 ARG 276 HG3 0.01 -0.07 0.05 -0.04 1.67 1.62 1t11A1 ARG 276 HD2 0.01 0.00 0.06 -0.04 3.22 3.25 1t11A1 ARG 276 HD3 0.02 0.05 0.05 -0.04 3.22 3.29 1t11A1 GLU 277 H 0.01 0.56 0.03 -0.55 8.60 8.65 1t11A1 GLU 277 HA 0.02 0.01 0.37 -0.75 4.29 3.93 1t11A1 GLU 277 HB2 0.02 0.05 0.16 -0.04 2.09 2.27 1t11A1 GLU 277 HB3 0.02 -0.04 0.05 -0.04 1.99 1.98 1t11A1 GLU 277 HG2 0.03 0.00 0.07 -0.04 2.34 2.40 1t11A1 GLU 277 HG3 0.02 0.22 0.03 -0.04 2.34 2.57 1t11A1 LEU 278 H 0.01 0.80 -0.17 -0.55 8.37 8.47 1t11A1 LEU 278 HA 0.01 -0.02 0.35 -0.75 4.35 3.93 1t11A1 LEU 278 HB2 0.01 0.01 0.08 -0.04 1.64 1.69 1t11A1 LEU 278 HB3 0.01 0.14 0.14 -0.04 1.64 1.88 1t11A1 LEU 278 HG 0.01 -0.00 -0.27 -0.04 1.64 1.34 1t11A1 LEU 278 HD13 0.01 -0.02 -0.02 -0.04 0.93 0.85 1t11A1 LEU 278 HD23 0.01 -0.02 -0.08 -0.04 0.89 0.76 1t11A1 LYS 279 H 0.01 0.63 -0.08 -0.55 8.42 8.42 1t11A1 LYS 279 HA 0.01 -0.03 0.40 -0.75 4.32 3.94 1t11A1 LYS 279 HB2 0.01 0.03 0.16 -0.04 1.87 2.02 1t11A1 LYS 279 HB3 0.01 0.14 0.21 -0.04 1.79 2.10 1t11A1 LYS 279 HG2 0.00 -0.02 -0.13 -0.04 1.46 1.28 1t11A1 LYS 279 HG3 0.01 -0.05 0.06 -0.04 1.46 1.44 1t11A1 LYS 279 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.61 1t11A1 LYS 279 HD3 0.01 -0.01 0.01 -0.04 1.68 1.64 1t11A1 LYS 279 HE2 0.00 0.08 0.04 -0.04 2.99 3.07 1t11A1 LYS 279 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 1t11A1 GLN 280 H 0.01 0.62 -0.15 -0.55 8.47 8.40 1t11A1 GLN 280 HA -0.00 -0.02 0.47 -0.75 4.36 4.05 1t11A1 GLN 280 HB2 0.01 0.14 0.20 -0.04 2.15 2.45 1t11A1 GLN 280 HB3 -0.00 -0.06 0.02 -0.04 2.02 1.94 1t11A1 GLN 280 HG2 0.00 -0.06 0.03 -0.04 2.40 2.33 1t11A1 GLN 280 HG3 0.01 0.07 0.03 -0.04 2.39 2.46 1t11A1 GLN 280 HE21 0.03 0.01 -0.02 -0.04 6.97 6.95 1t11A1 GLN 280 HE22 0.02 0.04 0.02 -0.04 7.69 7.73 1t11A1 ALA 281 H 0.00 0.92 0.07 -0.55 8.40 8.84 1t11A1 ALA 281 HA -0.01 -0.03 0.39 -0.75 4.34 3.94 1t11A1 ALA 281 HB3 0.00 0.01 0.02 -0.04 1.41 1.41 1t11A1 ILE 282 H 0.00 0.72 -0.16 -0.55 8.25 8.26 1t11A1 ILE 282 HA 0.01 0.07 0.49 -0.75 4.18 3.99 1t11A1 ILE 282 HB 0.01 0.09 0.13 -0.04 1.89 2.08 1t11A1 ILE 282 HG12 0.01 0.02 0.00 -0.04 1.49 1.48 1t11A1 ILE 282 HG13 0.01 0.25 0.04 -0.04 1.21 1.47 1t11A1 ILE 282 HG23 0.01 -0.01 -0.04 -0.04 0.93 0.84 1t11A1 ILE 282 HD13 0.01 -0.04 -0.09 -0.04 0.88 0.72 1t11A1 LYS 283 H 0.00 0.55 -0.09 -0.55 8.42 8.32 1t11A1 LYS 283 HA 0.00 -0.02 0.49 -0.75 4.32 4.05 1t11A1 LYS 283 HB2 0.00 0.03 0.16 -0.04 1.87 2.03 1t11A1 LYS 283 HB3 -0.00 0.11 0.20 -0.04 1.79 2.05 1t11A1 LYS 283 HG2 -0.00 -0.00 -0.07 -0.04 1.46 1.34 1t11A1 LYS 283 HG3 0.00 -0.06 0.11 -0.04 1.46 1.47 1t11A1 LYS 283 HD2 -0.00 0.01 0.01 -0.04 1.69 1.67 1t11A1 LYS 283 HD3 -0.00 -0.03 0.01 -0.04 1.68 1.61 1t11A1 LYS 283 HE2 0.00 -0.03 0.03 -0.04 2.99 2.96 1t11A1 LYS 283 HE3 0.00 0.04 0.02 -0.04 2.99 3.02 1t11A1 ALA 284 H -0.01 0.66 -0.13 -0.55 8.40 8.38 1t11A1 ALA 284 HA -0.01 0.01 0.51 -0.75 4.34 4.09 1t11A1 ALA 284 HB3 -0.03 -0.00 0.08 -0.04 1.41 1.41 1t11A1 ARG 285 H 0.00 0.39 -0.36 -0.55 8.46 7.94 1t11A1 ARG 285 HA 0.01 -0.05 0.36 -0.75 4.34 3.91 1t11A1 ARG 285 HB2 0.01 0.26 0.29 -0.04 1.90 2.41 1t11A1 ARG 285 HB3 0.01 -0.09 -0.04 -0.04 1.80 1.64 1t11A1 ARG 285 HG2 0.01 0.10 -0.01 -0.04 1.67 1.72 1t11A1 ARG 285 HG3 0.01 0.07 0.00 -0.04 1.67 1.71 1t11A1 ARG 285 HD2 0.01 -0.07 -0.06 -0.04 3.22 3.05 1t11A1 ARG 285 HD3 0.01 -0.08 0.01 -0.04 3.22 3.13 1t11A1 ILE 286 H 0.01 0.38 -0.15 -0.55 8.25 7.95 1t11A1 ILE 286 HA 0.02 -0.02 0.39 -0.75 4.18 3.82 1t11A1 ILE 286 HB 0.01 0.13 0.18 -0.04 1.89 2.17 1t11A1 ILE 286 HG12 0.01 -0.07 0.06 -0.04 1.49 1.44 1t11A1 ILE 286 HG13 0.01 0.16 0.14 -0.04 1.21 1.48 1t11A1 ILE 286 HG23 0.01 -0.02 -0.10 -0.04 0.93 0.79 1t11A1 ILE 286 HD13 0.01 -0.02 0.04 -0.04 0.88 0.86 1t11A1 LYS 287 H 0.01 0.34 -0.05 -0.55 8.42 8.17 1t11A1 LYS 287 HA 0.02 -0.02 0.34 -0.75 4.32 3.91 1t11A1 LYS 287 HB2 0.02 0.08 0.11 -0.04 1.87 2.04 1t11A1 LYS 287 HB3 0.02 -0.02 0.06 -0.04 1.79 1.81 1t11A1 LYS 287 HG2 0.01 -0.07 0.09 -0.04 1.46 1.44 1t11A1 LYS 287 HG3 0.01 0.16 0.16 -0.04 1.46 1.74 1t11A1 LYS 287 HD2 -0.01 0.01 0.02 -0.04 1.69 1.67 1t11A1 LYS 287 HD3 -0.00 -0.01 0.04 -0.04 1.68 1.66 1t11A1 LYS 287 HE2 -0.00 -0.05 0.03 -0.04 2.99 2.92 1t11A1 LYS 287 HE3 -0.00 0.03 0.01 -0.04 2.99 2.99 1t11A1 GLU 288 H 0.05 0.36 -0.51 -0.55 8.60 7.95 1t11A1 GLU 288 HA 0.12 0.07 0.55 -0.75 4.29 4.28 1t11A1 GLU 288 HB2 0.08 0.16 0.09 -0.04 2.09 2.38 1t11A1 GLU 288 HB3 0.14 -0.11 0.07 -0.04 1.99 2.05 1t11A1 GLU 288 HG2 0.44 -0.07 -0.01 -0.04 2.34 2.65 1t11A1 GLU 288 HG3 0.12 -0.01 -0.05 -0.04 2.34 2.35 1t11A1 GLN 289 H 0.04 0.72 -0.20 -0.55 8.47 8.49 1t11A1 GLN 289 HA 0.04 -0.09 0.41 -0.75 4.36 3.97 1t11A1 GLN 289 HB2 0.03 -0.16 0.09 -0.04 2.15 2.07 1t11A1 GLN 289 HB3 0.03 0.07 0.19 -0.04 2.02 2.27 1t11A1 GLN 289 HG2 0.03 0.26 0.06 -0.04 2.40 2.71 1t11A1 GLN 289 HG3 0.04 -0.07 -0.28 -0.04 2.39 2.03 1t11A1 GLN 289 HE21 0.02 -0.06 -0.02 -0.04 6.97 6.87 1t11A1 GLN 289 HE22 0.03 -0.02 -0.07 -0.04 7.69 7.59 1t11A1 ALA 290 H 0.06 0.04 0.15 -0.55 8.40 8.10 1t11A1 ALA 290 HA 0.11 -0.09 0.35 -0.75 4.34 3.96 1t11A1 ALA 290 HB3 0.06 0.02 0.02 -0.04 1.41 1.47 1t11A1 ILE 291 H 0.12 0.16 -0.24 -0.55 8.25 7.73 1t11A1 ILE 291 HA 0.14 0.32 0.89 -0.75 4.18 4.78 1t11A1 ILE 291 HB 0.10 0.07 0.14 -0.04 1.89 2.16 1t11A1 ILE 291 HG12 0.05 0.05 0.03 -0.04 1.49 1.57 1t11A1 ILE 291 HG13 0.07 0.22 -0.39 -0.04 1.21 1.07 1t11A1 ILE 291 HG23 0.06 -0.05 -0.11 -0.04 0.93 0.79 1t11A1 ILE 291 HD13 0.07 -0.05 0.02 -0.04 0.88 0.89 1t11A1 GLU 292 H 0.28 0.17 -0.13 -0.55 8.60 8.37 1t11A1 GLU 292 HA 0.46 -0.03 0.32 -0.75 4.29 4.29 1t11A1 GLU 292 HB2 0.61 0.02 -0.22 -0.04 2.09 2.47 1t11A1 GLU 292 HB3 0.57 -0.07 -0.07 -0.04 1.99 2.38 1t11A1 GLU 292 HG2 0.27 0.05 -0.03 -0.04 2.34 2.58 1t11A1 GLU 292 HG3 0.23 0.05 -0.06 -0.04 2.34 2.52 1t11A1 GLY 293 H 0.52 0.13 0.01 -0.55 8.43 8.55 1t11A1 GLY 293 HA2 -0.17 -0.07 0.27 -0.51 4.01 3.53 1t11A1 GLY 293 HA3 -0.16 0.23 0.76 -0.51 4.01 4.33 1t11A1 LEU 294 H 0.06 0.51 -0.22 -0.55 8.37 8.18 1t11A1 LEU 294 HA -0.10 -0.01 0.56 -0.75 4.35 4.04 1t11A1 LEU 294 HB2 -0.01 0.01 0.01 -0.04 1.64 1.61 1t11A1 LEU 294 HB3 0.08 0.06 0.09 -0.04 1.64 1.83 1t11A1 LEU 294 HG 0.07 0.01 -0.33 -0.04 1.64 1.35 1t11A1 LEU 294 HD13 0.24 0.02 -0.07 -0.04 0.93 1.08 1t11A1 LEU 294 HD23 0.15 -0.01 -0.06 -0.04 0.89 0.94 1t11A1 VAL 295 H -0.01 0.48 0.36 -0.55 8.24 8.52 1t11A1 VAL 295 HA 0.18 0.09 0.79 -0.75 4.13 4.44 1t11A1 VAL 295 HB 0.00 -0.12 -0.27 -0.04 2.12 1.69 1t11A1 VAL 295 HG13 0.01 0.04 -0.34 -0.04 0.97 0.64 1t11A1 VAL 295 HG23 0.12 -0.03 -0.02 -0.04 0.95 0.99 1t11A1 LYS 296 H 0.03 0.45 0.18 -0.55 8.42 8.53 1t11A1 LYS 296 HA 0.02 0.15 1.04 -0.75 4.32 4.78 1t11A1 LYS 296 HB2 0.02 -0.01 -0.02 -0.04 1.87 1.81 1t11A1 LYS 296 HB3 0.02 -0.05 0.08 -0.04 1.79 1.80 1t11A1 LYS 296 HG2 0.01 0.29 -0.15 -0.04 1.46 1.57 1t11A1 LYS 296 HG3 0.01 -0.07 0.06 -0.04 1.46 1.43 1t11A1 LYS 296 HD2 0.01 -0.03 -0.03 -0.04 1.69 1.60 1t11A1 LYS 296 HD3 0.01 0.00 -0.07 -0.04 1.68 1.58 1t11A1 LYS 296 HE2 0.01 0.08 -0.07 -0.04 2.99 2.98 1t11A1 LYS 296 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.90 1t11A1 GLU 297 H 0.01 0.10 0.11 -0.55 8.60 8.27 1t11A1 GLU 297 HA 0.02 0.01 0.41 -0.75 4.29 3.97 1t11A1 GLU 297 HB2 -0.00 -0.08 0.10 -0.04 2.09 2.06 1t11A1 GLU 297 HB3 0.00 0.18 0.02 -0.04 1.99 2.15 1t11A1 GLU 297 HG2 0.00 0.03 -0.05 -0.04 2.34 2.28 1t11A1 GLU 297 HG3 0.01 -0.02 0.01 -0.04 2.34 2.29 1t11A1 ASN 298 H 0.02 0.04 0.10 -0.55 8.53 8.14 1t11A1 ASN 298 HA 0.00 0.05 0.28 -0.75 4.76 4.34 1t11A1 ASN 298 HB2 -0.02 -0.05 0.15 -0.04 2.88 2.92 1t11A1 ASN 298 HB3 -0.01 0.01 0.09 -0.04 2.79 2.84 1t11A1 ASN 298 HD21 -0.00 0.39 0.13 -0.04 7.03 7.50 1t11A1 ASN 298 HD22 -0.02 -0.05 0.01 -0.04 7.74 7.64 1t11A1 GLU 299 H 0.00 0.21 0.20 -0.55 8.60 8.47 1t11A1 GLU 299 HA 0.01 0.06 0.48 -0.75 4.29 4.09 1t11A1 GLU 299 HB2 0.01 -0.05 -0.09 -0.04 2.09 1.92 1t11A1 GLU 299 HB3 0.01 0.41 0.03 -0.04 1.99 2.39 1t11A1 GLU 299 HG2 0.01 -0.08 -0.40 -0.04 2.34 1.83 1t11A1 GLU 299 HG3 0.01 -0.10 -0.34 -0.04 2.34 1.87 1t11A1 ILE 300 H 0.01 0.83 0.42 -0.55 8.25 8.97 1t11A1 ILE 300 HA 0.02 0.17 0.96 -0.75 4.18 4.58 1t11A1 ILE 300 HB 0.01 0.00 0.04 -0.04 1.89 1.90 1t11A1 ILE 300 HG12 0.01 0.19 0.07 -0.04 1.49 1.71 1t11A1 ILE 300 HG13 0.01 -0.09 -0.27 -0.04 1.21 0.82 1t11A1 ILE 300 HG23 0.01 0.00 -0.22 -0.04 0.93 0.68 1t11A1 ILE 300 HD13 0.01 -0.02 -0.09 -0.04 0.88 0.74 1t11A1 GLN 301 H 0.02 0.17 0.14 -0.55 8.47 8.24 1t11A1 GLN 301 HA 0.01 0.22 0.83 -0.75 4.36 4.67 1t11A1 GLN 301 HB2 0.02 -0.02 0.06 -0.04 2.15 2.16 1t11A1 GLN 301 HB3 0.01 -0.03 -0.02 -0.04 2.02 1.94 1t11A1 GLN 301 HG2 0.02 0.03 -0.10 -0.04 2.40 2.31 1t11A1 GLN 301 HG3 0.02 -0.03 -0.07 -0.04 2.39 2.28 1t11A1 GLN 301 HE21 0.04 0.00 -0.04 -0.04 6.97 6.94 1t11A1 GLN 301 HE22 0.04 0.04 -0.05 -0.04 7.69 7.68 1t11A1 VAL 302 H 0.01 0.75 0.35 -0.55 8.24 8.79 1t11A1 VAL 302 HA 0.00 0.25 0.96 -0.75 4.13 4.59 1t11A1 VAL 302 HB 0.01 -0.06 -0.09 -0.04 2.12 1.93 1t11A1 VAL 302 HG13 -0.00 0.02 -0.11 -0.04 0.97 0.84 1t11A1 VAL 302 HG23 0.01 0.04 -0.19 -0.04 0.95 0.76 1t11A1 PRO 303 HA 0.00 0.11 0.53 -0.51 4.44 4.57 1t11A1 PRO 303 HB2 -0.01 -0.17 0.11 -0.04 2.28 2.17 1t11A1 PRO 303 HB3 -0.01 0.05 0.05 -0.04 2.02 2.08 1t11A1 PRO 303 HG2 -0.01 0.07 0.08 -0.04 2.03 2.12 1t11A1 PRO 303 HG3 -0.00 0.12 0.02 -0.04 2.03 2.13 1t11A1 PRO 303 HD2 -0.01 0.06 0.19 -0.04 3.68 3.88 1t11A1 PRO 303 HD3 -0.00 0.34 0.24 -0.04 3.65 4.19 1t11A1 SER 304 H 0.00 0.27 0.22 -0.55 8.46 8.41 1t11A1 SER 304 HA 0.00 0.08 0.38 -0.75 4.49 4.20 1t11A1 SER 304 HB2 0.00 0.02 0.09 -0.04 3.95 4.02 1t11A1 SER 304 HB3 0.01 0.01 0.02 -0.04 3.93 3.92 1t11A1 ALA 305 H -0.01 0.10 -0.35 -0.55 8.40 7.60 1t11A1 ALA 305 HA -0.01 0.05 0.34 -0.75 4.34 3.97 1t11A1 ALA 305 HB3 -0.02 0.02 0.04 -0.04 1.41 1.41 1t11A1 LEU 306 H -0.01 0.45 -0.31 -0.55 8.37 7.95 1t11A1 LEU 306 HA -0.02 0.07 0.61 -0.75 4.35 4.27 1t11A1 LEU 306 HB2 -0.01 0.15 0.06 -0.04 1.64 1.80 1t11A1 LEU 306 HB3 -0.01 0.02 0.01 -0.04 1.64 1.62 1t11A1 LEU 306 HG -0.02 -0.08 0.01 -0.04 1.64 1.50 1t11A1 LEU 306 HD13 -0.02 0.02 -0.00 -0.04 0.93 0.89 1t11A1 LEU 306 HD23 -0.03 -0.00 -0.06 -0.04 0.89 0.76 1t11A1 ILE 307 H -0.00 0.27 -0.15 -0.55 8.25 7.82 1t11A1 ILE 307 HA 0.00 0.11 0.44 -0.75 4.18 3.98 1t11A1 ILE 307 HB 0.01 0.05 0.09 -0.04 1.89 1.99 1t11A1 ILE 307 HG12 0.00 0.05 -0.18 -0.04 1.49 1.33 1t11A1 ILE 307 HG13 0.01 -0.01 -0.10 -0.04 1.21 1.07 1t11A1 ILE 307 HG23 0.02 -0.01 -0.10 -0.04 0.93 0.81 1t11A1 ILE 307 HD13 0.01 0.02 -0.18 -0.04 0.88 0.68 1t11A1 ASP 308 H -0.00 0.67 -0.15 -0.55 8.40 8.37 1t11A1 ASP 308 HA -0.00 0.02 0.34 -0.75 4.63 4.23 1t11A1 ASP 308 HB2 -0.01 0.17 0.11 -0.04 2.71 2.94 1t11A1 ASP 308 HB3 -0.01 -0.03 -0.04 -0.04 2.70 2.58 1t11A1 GLN 309 H -0.01 0.30 -0.32 -0.55 8.47 7.89 1t11A1 GLN 309 HA -0.03 0.02 0.41 -0.75 4.36 4.01 1t11A1 GLN 309 HB2 -0.02 0.05 0.14 -0.04 2.15 2.28 1t11A1 GLN 309 HB3 -0.02 0.12 0.05 -0.04 2.02 2.13 1t11A1 GLN 309 HG2 -0.02 -0.01 -0.04 -0.04 2.40 2.29 1t11A1 GLN 309 HG3 -0.02 -0.04 0.03 -0.04 2.39 2.32 1t11A1 GLN 309 HE21 -0.02 -0.00 -0.04 -0.04 6.97 6.87 1t11A1 GLN 309 HE22 -0.02 -0.00 -0.05 -0.04 7.69 7.58 1t11A1 GLU 310 H -0.02 0.33 -0.33 -0.55 8.60 8.04 1t11A1 GLU 310 HA -0.03 0.03 0.40 -0.75 4.29 3.94 1t11A1 GLU 310 HB2 -0.01 0.11 0.17 -0.04 2.09 2.32 1t11A1 GLU 310 HB3 -0.01 -0.03 0.04 -0.04 1.99 1.95 1t11A1 GLU 310 HG2 -0.01 0.18 0.07 -0.04 2.34 2.53 1t11A1 GLU 310 HG3 -0.01 0.04 -0.02 -0.04 2.34 2.31 1t11A1 ILE 311 H -0.02 0.70 -0.04 -0.55 8.25 8.35 1t11A1 ILE 311 HA -0.06 0.02 0.31 -0.75 4.18 3.70 1t11A1 ILE 311 HB -0.01 0.02 0.09 -0.04 1.89 1.95 1t11A1 ILE 311 HG12 0.11 -0.00 -0.15 -0.04 1.49 1.41 1t11A1 ILE 311 HG13 0.03 0.14 -0.03 -0.04 1.21 1.31 1t11A1 ILE 311 HG23 0.00 -0.01 -0.18 -0.04 0.93 0.71 1t11A1 ILE 311 HD13 0.07 -0.03 -0.12 -0.04 0.88 0.75 1t11A1 ASN 312 H -0.06 0.61 -0.23 -0.55 8.53 8.31 1t11A1 ASN 312 HA -0.10 0.01 0.36 -0.75 4.76 4.28 1t11A1 ASN 312 HB2 -0.05 0.15 0.15 -0.04 2.88 3.09 1t11A1 ASN 312 HB3 -0.06 -0.06 -0.03 -0.04 2.79 2.60 1t11A1 ASN 312 HD21 -0.02 -0.09 -0.05 -0.04 7.03 6.83 1t11A1 ASN 312 HD22 -0.03 -0.03 -0.01 -0.04 7.74 7.63 1t11A1 VAL 313 H -0.08 0.44 -0.21 -0.55 8.24 7.84 1t11A1 VAL 313 HA -0.08 -0.01 0.40 -0.75 4.13 3.69 1t11A1 VAL 313 HB -0.06 0.16 0.14 -0.04 2.12 2.32 1t11A1 VAL 313 HG13 -0.05 -0.02 -0.07 -0.04 0.97 0.79 1t11A1 VAL 313 HG23 -0.04 0.07 0.08 -0.04 0.95 1.02 1t11A1 LEU 314 H -0.15 0.50 -0.17 -0.55 8.37 8.01 1t11A1 LEU 314 HA -0.13 0.01 0.42 -0.75 4.35 3.89 1t11A1 LEU 314 HB2 -0.29 0.10 0.10 -0.04 1.64 1.52 1t11A1 LEU 314 HB3 -0.24 -0.01 -0.06 -0.04 1.64 1.28 1t11A1 LEU 314 HG -0.06 -0.00 -0.04 -0.04 1.64 1.50 1t11A1 LEU 314 HD13 0.04 -0.01 -0.24 -0.04 0.93 0.68 1t11A1 LEU 314 HD23 0.02 0.00 -0.05 -0.04 0.89 0.81 1t11A1 ARG 315 H -0.42 0.61 -0.12 -0.55 8.46 7.98 1t11A1 ARG 315 HA -0.77 0.06 0.49 -0.75 4.34 3.36 1t11A1 ARG 315 HB2 -0.47 -0.00 0.03 -0.04 1.90 1.42 1t11A1 ARG 315 HB3 -0.23 0.05 0.12 -0.04 1.80 1.69 1t11A1 ARG 315 HG2 -0.10 -0.09 -0.21 -0.04 1.67 1.23 1t11A1 ARG 315 HG3 -0.06 0.02 0.06 -0.04 1.67 1.65 1t11A1 ARG 315 HD2 -0.07 -0.10 -0.07 -0.04 3.22 2.94 1t11A1 ARG 315 HD3 -0.01 0.12 -0.06 -0.04 3.22 3.23 1t11A1 GLN 316 H -0.18 0.55 -0.13 -0.55 8.47 8.16 1t11A1 GLN 316 HA -0.10 0.01 0.43 -0.75 4.36 3.95 1t11A1 GLN 316 HB2 -0.09 0.11 0.14 -0.04 2.15 2.27 1t11A1 GLN 316 HB3 -0.08 0.10 0.09 -0.04 2.02 2.09 1t11A1 GLN 316 HG2 -0.06 -0.04 0.05 -0.04 2.40 2.31 1t11A1 GLN 316 HG3 -0.05 -0.05 0.00 -0.04 2.39 2.25 1t11A1 GLN 316 HE21 -0.04 -0.01 -0.05 -0.04 6.97 6.84 1t11A1 GLN 316 HE22 -0.04 -0.04 -0.02 -0.04 7.69 7.55 1t11A1 GLN 317 H -0.13 0.39 -0.25 -0.55 8.47 7.93 1t11A1 GLN 317 HA -0.07 -0.01 0.43 -0.75 4.36 3.96 1t11A1 GLN 317 HB2 -0.07 0.11 0.13 -0.04 2.15 2.28 1t11A1 GLN 317 HB3 -0.01 -0.03 -0.01 -0.04 2.02 1.92 1t11A1 GLN 317 HG2 -0.03 -0.07 0.01 -0.04 2.40 2.27 1t11A1 GLN 317 HG3 -0.06 0.19 0.07 -0.04 2.39 2.55 1t11A1 GLN 317 HE21 0.00 -0.03 -0.05 -0.04 6.97 6.85 1t11A1 GLN 317 HE22 0.02 0.01 -0.03 -0.04 7.69 7.65 1t11A1 ALA 318 H -0.16 0.41 -0.28 -0.55 8.40 7.83 1t11A1 ALA 318 HA -0.27 0.02 0.39 -0.75 4.34 3.74 1t11A1 ALA 318 HB3 -0.00 0.03 0.05 -0.04 1.41 1.44 1t11A1 ALA 319 H -0.20 0.35 -0.33 -0.55 8.40 7.67 1t11A1 ALA 319 HA -0.20 0.01 0.25 -0.75 4.34 3.65 1t11A1 ALA 319 HB3 -0.09 0.06 0.09 -0.04 1.41 1.42 1t11A1 GLN 320 H -0.13 0.21 -0.27 -0.55 8.47 7.73 1t11A1 GLN 320 HA -0.05 -0.00 0.41 -0.75 4.36 3.96 1t11A1 GLN 320 HB2 -0.05 0.04 0.12 -0.04 2.15 2.22 1t11A1 GLN 320 HB3 -0.03 -0.08 -0.02 -0.04 2.02 1.84 1t11A1 GLN 320 HG2 -0.04 -0.07 -0.03 -0.04 2.40 2.22 1t11A1 GLN 320 HG3 -0.06 0.18 0.04 -0.04 2.39 2.51 1t11A1 GLN 320 HE21 -0.02 -0.06 -0.03 -0.04 6.97 6.82 1t11A1 GLN 320 HE22 -0.02 -0.02 -0.03 -0.04 7.69 7.57 1t11A1 ARG 321 H -0.12 0.43 -0.06 -0.55 8.46 8.16 1t11A1 ARG 321 HA 0.01 -0.11 0.32 -0.75 4.34 3.80 1t11A1 ARG 321 HB2 -0.15 0.14 0.13 -0.04 1.90 1.98 1t11A1 ARG 321 HB3 0.09 -0.06 -0.27 -0.04 1.80 1.52 1t11A1 ARG 321 HG2 0.07 -0.10 0.00 -0.04 1.67 1.60 1t11A1 ARG 321 HG3 0.05 0.00 0.01 -0.04 1.67 1.69 1t11A1 ARG 321 HD2 0.07 -0.04 -0.77 -0.04 3.22 2.44 1t11A1 ARG 321 HD3 0.14 -0.04 -0.06 -0.04 3.22 3.22 1t11A1 PHE 322 H -0.55 0.62 -0.15 -0.55 8.34 7.70 1t11A1 PHE 322 HA 0.04 0.05 0.69 -0.75 4.62 4.64 1t11A1 PHE 322 HB2 0.24 -0.17 0.14 -0.04 3.15 3.32 1t11A1 PHE 322 HB3 0.03 0.07 -0.28 -0.04 3.06 2.83 1t11A1 PHE 322 HD2 0.05 -0.08 -0.20 -0.04 7.28 7.01 1t11A1 PHE 322 HE2 0.02 0.04 -0.11 -0.04 7.38 7.30 1t11A1 PHE 322 HZ 0.08 -0.03 -0.07 -0.04 7.32 7.26 1t11A1 GLY 323 H 0.72 0.05 0.08 -0.55 8.43 8.73 1t11A1 GLY 323 HA2 0.33 -0.09 0.28 -0.51 4.01 4.02 1t11A1 GLY 323 HA3 0.22 0.08 0.24 -0.51 4.01 4.04 1t11A1 GLY 324 H 0.11 -0.03 -0.67 -0.55 8.43 7.29 1t11A1 GLY 324 HA2 0.03 0.05 0.25 -0.51 4.01 3.84 1t11A1 GLY 324 HA3 0.06 -0.21 0.31 -0.51 4.01 3.66 1t11A1 ASN 325 H 0.02 -0.04 0.16 -0.55 8.53 8.12 1t11A1 ASN 325 HA -0.00 0.07 0.30 -0.75 4.76 4.37 1t11A1 ASN 325 HB2 0.00 -0.17 0.18 -0.04 2.88 2.85 1t11A1 ASN 325 HB3 0.00 0.05 0.17 -0.04 2.79 2.97 1t11A1 ASN 325 HD21 0.01 0.04 -0.01 -0.04 7.03 7.03 1t11A1 ASN 325 HD22 0.00 0.02 0.04 -0.04 7.74 7.77 1t11A1 VAL 326 H -0.01 0.10 0.18 -0.55 8.24 7.96 1t11A1 VAL 326 HA -0.02 0.22 0.52 -0.75 4.13 4.10 1t11A1 VAL 326 HB -0.02 0.03 0.06 -0.04 2.12 2.15 1t11A1 VAL 326 HG13 -0.02 0.02 0.05 -0.04 0.97 0.98 1t11A1 VAL 326 HG23 -0.01 -0.00 -0.05 -0.04 0.95 0.85 1t11A1 GLU 327 H -0.00 0.06 -0.10 -0.55 8.60 8.01 1t11A1 GLU 327 HA 0.00 0.09 0.40 -0.75 4.29 4.02 1t11A1 GLU 327 HB2 0.00 -0.00 0.00 -0.04 2.09 2.05 1t11A1 GLU 327 HB3 0.00 0.06 -0.00 -0.04 1.99 2.01 1t11A1 GLU 327 HG2 -0.00 0.04 0.01 -0.04 2.34 2.35 1t11A1 GLU 327 HG3 -0.00 0.03 0.02 -0.04 2.34 2.35 1t11A1 ALA 328 H 0.02 0.20 -0.49 -0.55 8.40 7.58 1t11A1 ALA 328 HA 0.03 0.05 0.41 -0.75 4.34 4.08 1t11A1 ALA 328 HB3 0.06 0.11 0.02 -0.04 1.41 1.56 1t11A1 ALA 329 H 0.01 0.24 -0.10 -0.55 8.40 8.00 1t11A1 ALA 329 HA 0.06 0.07 0.45 -0.75 4.34 4.17 1t11A1 ALA 329 HB3 -0.04 0.04 0.08 -0.04 1.41 1.45 1t11A1 ALA 330 H 0.01 0.32 -0.52 -0.55 8.40 7.67 1t11A1 ALA 330 HA 0.01 0.02 0.35 -0.75 4.34 3.96 1t11A1 ALA 330 HB3 0.00 0.02 0.07 -0.04 1.41 1.47 1t11A1 GLN 331 H 0.04 0.35 -0.68 -0.55 8.47 7.63 1t11A1 GLN 331 HA 0.03 0.16 0.88 -0.75 4.36 4.68 1t11A1 GLN 331 HB2 0.02 -0.07 0.14 -0.04 2.15 2.20 1t11A1 GLN 331 HB3 0.02 -0.04 -0.06 -0.04 2.02 1.90 1t11A1 GLN 331 HG2 0.04 0.32 0.02 -0.04 2.40 2.73 1t11A1 GLN 331 HG3 0.03 -0.04 -0.09 -0.04 2.39 2.24 1t11A1 GLN 331 HE21 0.01 -0.08 -0.05 -0.04 6.97 6.81 1t11A1 GLN 331 HE22 0.02 0.01 -0.04 -0.04 7.69 7.65 1t11A1 LEU 332 H 0.09 0.38 -0.14 -0.55 8.37 8.15 1t11A1 LEU 332 HA 0.08 0.10 0.61 -0.75 4.35 4.39 1t11A1 LEU 332 HB2 0.26 0.05 0.13 -0.04 1.64 2.04 1t11A1 LEU 332 HB3 0.28 0.01 0.02 -0.04 1.64 1.91 1t11A1 LEU 332 HG 0.14 0.08 0.08 -0.04 1.64 1.90 1t11A1 LEU 332 HD13 0.32 0.00 -0.02 -0.04 0.93 1.19 1t11A1 LEU 332 HD23 0.16 -0.00 -0.03 -0.04 0.89 0.97 1t11A1 PRO 333 HA 0.05 0.05 0.52 -0.51 4.44 4.56 1t11A1 PRO 333 HB2 -0.00 -0.14 0.03 -0.04 2.28 2.12 1t11A1 PRO 333 HB3 0.01 0.08 0.11 -0.04 2.02 2.18 1t11A1 PRO 333 HG2 -0.06 -0.05 0.10 -0.04 2.03 1.98 1t11A1 PRO 333 HG3 -0.03 0.18 0.13 -0.04 2.03 2.27 1t11A1 PRO 333 HD2 0.01 0.10 0.26 -0.04 3.68 4.01 1t11A1 PRO 333 HD3 0.01 0.24 0.25 -0.04 3.65 4.12 1t11A1 ARG 334 H 0.06 0.16 0.16 -0.55 8.46 8.28 1t11A1 ARG 334 HA 0.21 0.14 0.35 -0.75 4.34 4.29 1t11A1 ARG 334 HB2 0.06 0.08 0.12 -0.04 1.90 2.12 1t11A1 ARG 334 HB3 0.05 -0.03 0.11 -0.04 1.80 1.89 1t11A1 ARG 334 HG2 0.07 -0.04 -0.27 -0.04 1.67 1.38 1t11A1 ARG 334 HG3 0.09 0.01 -0.01 -0.04 1.67 1.71 1t11A1 ARG 334 HD2 0.04 0.04 -0.01 -0.04 3.22 3.24 1t11A1 ARG 334 HD3 0.03 -0.01 -0.04 -0.04 3.22 3.16 1t11A1 GLU 335 H 0.02 0.14 -0.12 -0.55 8.60 8.09 1t11A1 GLU 335 HA 0.01 -0.04 0.39 -0.75 4.29 3.90 1t11A1 GLU 335 HB2 -0.01 0.01 0.11 -0.04 2.09 2.16 1t11A1 GLU 335 HB3 -0.00 -0.04 0.10 -0.04 1.99 2.00 1t11A1 GLU 335 HG2 -0.04 -0.00 -0.16 -0.04 2.34 2.09 1t11A1 GLU 335 HG3 -0.05 0.08 -0.27 -0.04 2.34 2.06 1t11A1 LEU 336 H -0.12 0.36 -0.69 -0.55 8.37 7.38 1t11A1 LEU 336 HA -0.26 0.11 0.31 -0.75 4.35 3.76 1t11A1 LEU 336 HB2 -0.32 0.05 0.04 -0.04 1.64 1.37 1t11A1 LEU 336 HB3 -1.43 0.00 -0.05 -0.04 1.64 0.12 1t11A1 LEU 336 HG -0.58 -0.06 -0.13 -0.04 1.64 0.83 1t11A1 LEU 336 HD13 -0.19 0.11 -0.28 -0.04 0.93 0.52 1t11A1 LEU 336 HD23 -0.24 0.00 -0.05 -0.04 0.89 0.56 1t11A1 PHE 337 H -0.01 0.42 -0.22 -0.55 8.34 7.99 1t11A1 PHE 337 HA 0.02 0.24 0.95 -0.75 4.62 5.07 1t11A1 PHE 337 HB2 0.01 -0.01 -0.03 -0.04 3.15 3.07 1t11A1 PHE 337 HB3 0.01 -0.06 0.04 -0.04 3.06 3.01 1t11A1 PHE 337 HD2 0.04 0.01 -0.10 -0.04 7.28 7.18 1t11A1 PHE 337 HE2 0.07 0.06 -0.15 -0.04 7.38 7.33 1t11A1 PHE 337 HZ 0.09 0.03 -0.06 -0.04 7.32 7.33 1t11A1 GLU 338 H 0.05 0.26 -0.11 -0.55 8.60 8.26 1t11A1 GLU 338 HA 0.07 0.00 0.32 -0.75 4.29 3.93 1t11A1 GLU 338 HB2 0.02 0.10 0.14 -0.04 2.09 2.31 1t11A1 GLU 338 HB3 0.03 0.01 -0.03 -0.04 1.99 1.95 1t11A1 GLU 338 HG2 0.04 -0.04 -0.03 -0.04 2.34 2.26 1t11A1 GLU 338 HG3 0.06 0.13 -0.13 -0.04 2.34 2.35 1t11A1 GLU 339 H 0.02 0.23 -0.15 -0.55 8.60 8.16 1t11A1 GLU 339 HA 0.02 0.03 0.43 -0.75 4.29 4.02 1t11A1 GLU 339 HB2 0.01 0.05 0.11 -0.04 2.09 2.22 1t11A1 GLU 339 HB3 0.01 0.10 0.02 -0.04 1.99 2.08 1t11A1 GLU 339 HG2 0.01 0.07 0.03 -0.04 2.34 2.41 1t11A1 GLU 339 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 1t11A1 GLN 340 H 0.04 0.19 -0.16 -0.55 8.47 7.99 1t11A1 GLN 340 HA -0.01 0.13 0.38 -0.75 4.36 4.10 1t11A1 GLN 340 HB2 0.07 0.04 -0.00 -0.04 2.15 2.22 1t11A1 GLN 340 HB3 -0.03 0.00 0.00 -0.04 2.02 1.95 1t11A1 GLN 340 HG2 -0.04 0.04 0.05 -0.04 2.40 2.41 1t11A1 GLN 340 HG3 0.04 0.00 0.08 -0.04 2.39 2.47 1t11A1 GLN 340 HE21 -0.94 -0.00 0.04 -0.04 6.97 6.03 1t11A1 GLN 340 HE22 -0.20 0.05 0.06 -0.04 7.69 7.56 1t11A1 ALA 341 H 0.06 0.50 -0.42 -0.55 8.40 7.99 1t11A1 ALA 341 HA 0.01 0.02 0.41 -0.75 4.34 4.02 1t11A1 ALA 341 HB3 0.04 0.03 0.04 -0.04 1.41 1.48 1t11A1 LYS 342 H 0.02 0.56 0.00 -0.55 8.42 8.45 1t11A1 LYS 342 HA 0.01 -0.04 0.37 -0.75 4.32 3.90 1t11A1 LYS 342 HB2 0.01 0.18 0.22 -0.04 1.87 2.24 1t11A1 LYS 342 HB3 0.01 -0.04 0.04 -0.04 1.79 1.76 1t11A1 LYS 342 HG2 0.01 -0.10 -0.05 -0.04 1.46 1.29 1t11A1 LYS 342 HG3 0.02 0.16 0.07 -0.04 1.46 1.67 1t11A1 LYS 342 HD2 0.01 -0.00 -0.00 -0.04 1.69 1.65 1t11A1 LYS 342 HD3 0.01 0.19 0.03 -0.04 1.68 1.87 1t11A1 LYS 342 HE2 0.01 -0.10 -0.06 -0.04 2.99 2.81 1t11A1 LYS 342 HE3 0.02 -0.03 -0.09 -0.04 2.99 2.85 1t11A1 ARG 343 H 0.01 0.51 -0.18 -0.55 8.46 8.24 1t11A1 ARG 343 HA 0.00 -0.03 0.44 -0.75 4.34 4.00 1t11A1 ARG 343 HB2 -0.01 0.18 0.16 -0.04 1.90 2.19 1t11A1 ARG 343 HB3 -0.00 -0.04 0.06 -0.04 1.80 1.77 1t11A1 ARG 343 HG2 0.00 -0.12 0.05 -0.04 1.67 1.56 1t11A1 ARG 343 HG3 0.00 0.15 0.08 -0.04 1.67 1.86 1t11A1 ARG 343 HD2 -0.01 0.38 0.13 -0.04 3.22 3.68 1t11A1 ARG 343 HD3 0.00 -0.13 -0.00 -0.04 3.22 3.05 1t11A1 ARG 344 H -0.00 0.54 -0.19 -0.55 8.46 8.25 1t11A1 ARG 344 HA -0.01 -0.00 0.30 -0.75 4.34 3.88 1t11A1 ARG 344 HB2 -0.00 0.13 0.17 -0.04 1.90 2.16 1t11A1 ARG 344 HB3 -0.01 -0.10 -0.03 -0.04 1.80 1.62 1t11A1 ARG 344 HG2 -0.01 -0.05 -0.04 -0.04 1.67 1.52 1t11A1 ARG 344 HG3 -0.01 0.35 0.09 -0.04 1.67 2.06 1t11A1 ARG 344 HD2 -0.02 0.00 -0.08 -0.04 3.22 3.08 1t11A1 ARG 344 HD3 -0.01 -0.04 -0.05 -0.04 3.22 3.07 1t11A1 VAL 345 H 0.00 0.55 -0.30 -0.55 8.24 7.94 1t11A1 VAL 345 HA -0.00 -0.00 0.38 -0.75 4.13 3.75 1t11A1 VAL 345 HB 0.00 0.15 0.13 -0.04 2.12 2.36 1t11A1 VAL 345 HG13 -0.00 -0.03 -0.16 -0.04 0.97 0.74 1t11A1 VAL 345 HG23 -0.00 0.04 -0.08 -0.04 0.95 0.87 1t11A1 VAL 346 H 0.00 0.61 -0.02 -0.55 8.24 8.29 1t11A1 VAL 346 HA 0.00 -0.00 0.37 -0.75 4.13 3.74 1t11A1 VAL 346 HB 0.00 0.07 0.25 -0.04 2.12 2.40 1t11A1 VAL 346 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.83 1t11A1 VAL 346 HG23 0.01 0.06 0.04 -0.04 0.95 1.01 1t11A1 VAL 347 H 0.00 0.79 0.08 -0.55 8.24 8.56 1t11A1 VAL 347 HA 0.00 -0.03 0.31 -0.75 4.13 3.66 1t11A1 VAL 347 HB -0.00 0.10 -0.01 -0.04 2.12 2.17 1t11A1 VAL 347 HG13 0.00 -0.03 -0.04 -0.04 0.97 0.87 1t11A1 VAL 347 HG23 0.00 0.03 -0.07 -0.04 0.95 0.87 1t11A1 GLY 348 H 0.00 0.37 -0.90 -0.55 8.43 7.35 1t11A1 GLY 348 HA2 0.00 -0.06 0.41 -0.51 4.01 3.85 1t11A1 GLY 348 HA3 -0.00 0.12 0.31 -0.51 4.01 3.93 1t11A1 LEU 349 H 0.00 0.64 0.02 -0.55 8.37 8.49 1t11A1 LEU 349 HA 0.00 0.01 0.64 -0.75 4.35 4.24 1t11A1 LEU 349 HB2 0.00 0.10 0.11 -0.04 1.64 1.81 1t11A1 LEU 349 HB3 0.00 -0.07 0.05 -0.04 1.64 1.58 1t11A1 LEU 349 HG 0.00 0.37 0.03 -0.04 1.64 2.00 1t11A1 LEU 349 HD13 0.00 -0.02 -0.17 -0.04 0.93 0.70 1t11A1 LEU 349 HD23 -0.00 -0.02 -0.08 -0.04 0.89 0.75 1t11A1 LEU 350 H 0.01 0.50 -0.12 -0.55 8.37 8.21 1t11A1 LEU 350 HA 0.01 0.05 0.39 -0.75 4.35 4.04 1t11A1 LEU 350 HB2 0.01 0.11 0.16 -0.04 1.64 1.88 1t11A1 LEU 350 HB3 0.01 -0.02 -0.05 -0.04 1.64 1.54 1t11A1 LEU 350 HG 0.01 0.04 -0.07 -0.04 1.64 1.57 1t11A1 LEU 350 HD13 0.01 -0.01 -0.07 -0.04 0.93 0.82 1t11A1 LEU 350 HD23 0.01 -0.00 -0.03 -0.04 0.89 0.83 1t11A1 LEU 351 H 0.01 0.52 -0.10 -0.55 8.37 8.25 1t11A1 LEU 351 HA 0.02 0.05 0.46 -0.75 4.35 4.13 1t11A1 LEU 351 HB2 0.01 0.09 0.02 -0.04 1.64 1.72 1t11A1 LEU 351 HB3 0.01 -0.07 0.02 -0.04 1.64 1.56 1t11A1 LEU 351 HG 0.01 0.13 0.05 -0.04 1.64 1.79 1t11A1 LEU 351 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.83 1t11A1 LEU 351 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.78 1t11A1 GLY 352 H 0.01 0.25 -0.55 -0.55 8.43 7.59 1t11A1 GLY 352 HA2 0.01 0.00 0.44 -0.51 4.01 3.95 1t11A1 GLY 352 HA3 0.00 0.12 0.35 -0.51 4.01 3.98 1t11A1 GLU 353 H 0.01 0.70 -0.01 -0.55 8.60 8.75 1t11A1 GLU 353 HA -0.00 -0.02 0.37 -0.75 4.29 3.88 1t11A1 GLU 353 HB2 0.01 0.07 0.16 -0.04 2.09 2.28 1t11A1 GLU 353 HB3 0.01 0.09 0.13 -0.04 1.99 2.19 1t11A1 GLU 353 HG2 -0.01 -0.06 0.02 -0.04 2.34 2.26 1t11A1 GLU 353 HG3 0.00 0.05 -0.03 -0.04 2.34 2.32 1t11A1 VAL 354 H 0.03 0.37 -0.29 -0.55 8.24 7.80 1t11A1 VAL 354 HA 0.11 0.01 0.33 -0.75 4.13 3.83 1t11A1 VAL 354 HB 0.04 0.08 0.06 -0.04 2.12 2.26 1t11A1 VAL 354 HG13 0.08 -0.02 -0.06 -0.04 0.97 0.93 1t11A1 VAL 354 HG23 0.04 0.08 0.07 -0.04 0.95 1.10 1t11A1 ILE 355 H 0.03 0.47 -0.31 -0.55 8.25 7.89 1t11A1 ILE 355 HA 0.06 -0.03 0.49 -0.75 4.18 3.94 1t11A1 ILE 355 HB 0.02 0.09 0.22 -0.04 1.89 2.18 1t11A1 ILE 355 HG12 0.03 -0.10 -0.04 -0.04 1.49 1.34 1t11A1 ILE 355 HG13 0.02 0.37 0.10 -0.04 1.21 1.66 1t11A1 ILE 355 HG23 0.02 -0.02 -0.06 -0.04 0.93 0.83 1t11A1 ILE 355 HD13 0.01 -0.04 -0.08 -0.04 0.88 0.73 1t11A1 ARG 356 H 0.01 0.75 0.08 -0.55 8.46 8.75 1t11A1 ARG 356 HA -0.00 0.02 0.47 -0.75 4.34 4.08 1t11A1 ARG 356 HB2 -0.00 -0.02 0.09 -0.04 1.90 1.92 1t11A1 ARG 356 HB3 -0.01 0.04 0.13 -0.04 1.80 1.91 1t11A1 ARG 356 HG2 -0.02 0.02 -0.17 -0.04 1.67 1.45 1t11A1 ARG 356 HG3 -0.01 -0.05 0.03 -0.04 1.67 1.61 1t11A1 ARG 356 HD2 -0.01 0.02 -0.03 -0.04 3.22 3.16 1t11A1 ARG 356 HD3 -0.01 -0.03 -0.01 -0.04 3.22 3.14 1t11A1 THR 357 H -0.04 0.66 -0.01 -0.55 8.28 8.34 1t11A1 THR 357 HA -0.12 0.00 0.38 -0.75 4.39 3.90 1t11A1 THR 357 HB -0.17 0.13 0.11 -0.04 4.32 4.35 1t11A1 THR 357 HG23 -0.61 -0.02 -0.13 -0.04 1.22 0.42 1t11A1 HIS 358 H 0.01 0.32 -0.36 -0.55 8.41 7.84 1t11A1 HIS 358 HA 0.00 0.18 0.86 -0.75 4.63 4.91 1t11A1 HIS 358 HB2 0.00 0.08 0.09 -0.04 3.26 3.39 1t11A1 HIS 358 HB3 0.00 -0.06 0.14 -0.04 3.20 3.23 1t11A1 HIS 358 HD2 0.00 0.18 0.08 -0.04 6.97 7.19 1t11A1 HIS 358 HE1 0.00 -0.03 -0.04 -0.04 7.75 7.64 1t11A1 GLU 359 H 0.01 0.40 -0.37 -0.55 8.60 8.09 1t11A1 GLU 359 HA 0.02 0.04 0.35 -0.75 4.29 3.95 1t11A1 GLU 359 HB2 0.03 0.08 -0.02 -0.04 2.09 2.14 1t11A1 GLU 359 HB3 0.01 -0.10 0.18 -0.04 1.99 2.05 1t11A1 GLU 359 HG2 0.00 0.04 0.06 -0.04 2.34 2.40 1t11A1 GLU 359 HG3 -0.00 0.06 -0.16 -0.04 2.34 2.20 1t11A1 LEU 360 H 0.06 0.38 -0.10 -0.55 8.37 8.16 1t11A1 LEU 360 HA 0.03 0.07 0.55 -0.75 4.35 4.24 1t11A1 LEU 360 HB2 0.04 -0.05 0.09 -0.04 1.64 1.68 1t11A1 LEU 360 HB3 0.02 -0.06 -0.07 -0.04 1.64 1.50 1t11A1 LEU 360 HG 0.11 0.03 -0.06 -0.04 1.64 1.67 1t11A1 LEU 360 HD13 0.02 -0.02 -0.09 -0.04 0.93 0.80 1t11A1 LEU 360 HD23 0.01 0.01 -0.03 -0.04 0.89 0.85 1t11A1 LYS 361 H 0.01 0.17 0.17 -0.55 8.42 8.22 1t11A1 LYS 361 HA 0.01 0.14 0.86 -0.75 4.32 4.58 1t11A1 LYS 361 HB2 0.01 -0.02 0.17 -0.04 1.87 1.99 1t11A1 LYS 361 HB3 0.01 -0.05 -0.00 -0.04 1.79 1.70 1t11A1 LYS 361 HG2 0.01 0.19 -0.03 -0.04 1.46 1.59 1t11A1 LYS 361 HG3 0.01 -0.04 0.01 -0.04 1.46 1.39 1t11A1 LYS 361 HD2 0.01 -0.08 -0.03 -0.04 1.69 1.55 1t11A1 LYS 361 HD3 0.01 0.10 -0.19 -0.04 1.68 1.55 1t11A1 LYS 361 HE2 0.01 0.19 -0.11 -0.04 2.99 3.04 1t11A1 LYS 361 HE3 0.01 -0.06 -0.03 -0.04 2.99 2.87 1t11A1 ALA 362 H 0.01 0.30 0.16 -0.55 8.40 8.32 1t11A1 ALA 362 HA 0.00 0.15 0.76 -0.75 4.34 4.50 1t11A1 ALA 362 HB3 0.01 0.02 -0.15 -0.04 1.41 1.25 1t11A1 ASP 363 H 0.00 0.19 0.12 -0.55 8.40 8.17 1t11A1 ASP 363 HA 0.00 0.09 0.47 -0.75 4.63 4.44 1t11A1 ASP 363 HB2 0.00 0.13 0.18 -0.04 2.71 2.98 1t11A1 ASP 363 HB3 0.00 -0.09 0.25 -0.04 2.70 2.82 1t11A1 GLU 364 H 0.00 0.26 0.29 -0.55 8.60 8.60 1t11A1 GLU 364 HA -0.00 0.10 0.34 -0.75 4.29 3.97 1t11A1 GLU 364 HB2 -0.00 0.09 0.18 -0.04 2.09 2.32 1t11A1 GLU 364 HB3 -0.00 -0.03 0.10 -0.04 1.99 2.01 1t11A1 GLU 364 HG2 -0.00 -0.01 -0.13 -0.04 2.34 2.16 1t11A1 GLU 364 HG3 -0.00 0.02 0.08 -0.04 2.34 2.40 1t11A1 GLU 365 H -0.00 0.01 -0.48 -0.55 8.60 7.58 1t11A1 GLU 365 HA -0.00 0.14 0.53 -0.75 4.29 4.21 1t11A1 GLU 365 HB2 -0.00 -0.05 0.06 -0.04 2.09 2.06 1t11A1 GLU 365 HB3 -0.00 0.05 -0.07 -0.04 1.99 1.92 1t11A1 GLU 365 HG2 -0.00 0.03 -0.00 -0.04 2.34 2.32 1t11A1 GLU 365 HG3 -0.00 0.03 0.03 -0.04 2.34 2.36 1t11A1 LYS 366 H 0.00 0.30 -0.03 -0.55 8.42 8.13 1t11A1 LYS 366 HA 0.00 0.10 0.57 -0.75 4.32 4.24 1t11A1 LYS 366 HB2 0.00 0.04 0.16 -0.04 1.87 2.03 1t11A1 LYS 366 HB3 0.00 0.03 0.03 -0.04 1.79 1.81 1t11A1 LYS 366 HG2 0.00 0.05 0.02 -0.04 1.46 1.48 1t11A1 LYS 366 HG3 0.00 -0.10 0.06 -0.04 1.46 1.37 1t11A1 LYS 366 HD2 0.00 -0.07 0.07 -0.04 1.69 1.65 1t11A1 LYS 366 HD3 0.00 0.05 0.02 -0.04 1.68 1.72 1t11A1 LYS 366 HE2 0.00 0.03 0.01 -0.04 2.99 2.99 1t11A1 LYS 366 HE3 0.00 -0.04 0.03 -0.04 2.99 2.93 1t11A1 VAL 367 H 0.00 0.47 -0.12 -0.55 8.24 8.04 1t11A1 VAL 367 HA 0.00 0.06 0.31 -0.75 4.13 3.75 1t11A1 VAL 367 HB 0.00 0.05 -0.01 -0.04 2.12 2.12 1t11A1 VAL 367 HG13 0.00 0.01 -0.17 -0.04 0.97 0.77 1t11A1 VAL 367 HG23 0.00 0.01 -0.14 -0.04 0.95 0.79 1t11A1 LYS 368 H -0.00 0.34 -0.37 -0.55 8.42 7.83 1t11A1 LYS 368 HA -0.00 0.04 0.37 -0.75 4.32 3.98 1t11A1 LYS 368 HB2 -0.00 0.09 0.14 -0.04 1.87 2.06 1t11A1 LYS 368 HB3 -0.01 -0.02 -0.02 -0.04 1.79 1.70 1t11A1 LYS 368 HG2 -0.01 0.02 0.10 -0.04 1.46 1.54 1t11A1 LYS 368 HG3 -0.01 -0.02 0.06 -0.04 1.46 1.45 1t11A1 LYS 368 HD2 -0.01 -0.00 -0.01 -0.04 1.69 1.63 1t11A1 LYS 368 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.62 1t11A1 LYS 368 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 1t11A1 LYS 368 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.93 1t11A1 ALA 369 H 0.00 0.40 -0.21 -0.55 8.40 8.05 1t11A1 ALA 369 HA 0.00 0.01 0.36 -0.75 4.34 3.97 1t11A1 ALA 369 HB3 0.00 0.04 0.12 -0.04 1.41 1.54 1t11A1 LEU 370 H 0.00 0.51 -0.27 -0.55 8.37 8.06 1t11A1 LEU 370 HA 0.01 -0.01 0.39 -0.75 4.35 3.99 1t11A1 LEU 370 HB2 0.00 0.08 0.12 -0.04 1.64 1.81 1t11A1 LEU 370 HB3 0.00 0.09 0.07 -0.04 1.64 1.76 1t11A1 LEU 370 HG 0.00 -0.03 -0.01 -0.04 1.64 1.57 1t11A1 LEU 370 HD13 0.00 -0.01 -0.01 -0.04 0.93 0.87 1t11A1 LEU 370 HD23 0.00 -0.01 -0.04 -0.04 0.89 0.81 1t11A1 ILE 371 H 0.00 0.65 -0.06 -0.55 8.25 8.28 1t11A1 ILE 371 HA 0.00 -0.03 0.28 -0.75 4.18 3.67 1t11A1 ILE 371 HB -0.00 0.07 0.17 -0.04 1.89 2.09 1t11A1 ILE 371 HG12 0.00 -0.04 -0.07 -0.04 1.49 1.34 1t11A1 ILE 371 HG13 0.00 0.38 0.04 -0.04 1.21 1.59 1t11A1 ILE 371 HG23 -0.00 -0.02 -0.13 -0.04 0.93 0.73 1t11A1 ILE 371 HD13 -0.00 -0.02 -0.07 -0.04 0.88 0.75 1t11A1 THR 372 H -0.00 0.83 -0.09 -0.55 8.28 8.47 1t11A1 THR 372 HA -0.01 -0.02 0.32 -0.75 4.39 3.92 1t11A1 THR 372 HB 0.01 0.15 0.16 -0.04 4.32 4.60 1t11A1 THR 372 HG23 0.01 -0.02 -0.14 -0.04 1.22 1.03 1t11A1 GLU 373 H 0.01 0.59 -0.16 -0.55 8.60 8.49 1t11A1 GLU 373 HA 0.03 -0.05 0.46 -0.75 4.29 3.97 1t11A1 GLU 373 HB2 0.02 0.08 0.15 -0.04 2.09 2.30 1t11A1 GLU 373 HB3 0.01 0.11 0.18 -0.04 1.99 2.25 1t11A1 GLU 373 HG2 0.02 -0.01 -0.13 -0.04 2.34 2.18 1t11A1 GLU 373 HG3 0.03 -0.08 0.04 -0.04 2.34 2.28 1t11A1 MET 374 H 0.01 0.63 -0.00 -0.55 8.47 8.56 1t11A1 MET 374 HA 0.01 0.00 0.42 -0.75 4.52 4.20 1t11A1 MET 374 HB2 0.00 0.09 0.07 -0.04 2.15 2.27 1t11A1 MET 374 HB3 0.01 -0.06 0.04 -0.04 2.03 1.97 1t11A1 MET 374 HG2 0.01 -0.05 0.01 -0.04 2.63 2.56 1t11A1 MET 374 HG3 0.01 0.10 0.07 -0.04 2.56 2.69 1t11A1 MET 374 HE3 0.01 -0.01 -0.03 -0.04 2.10 2.02 1t11A1 ALA 375 H -0.01 0.51 -0.30 -0.55 8.40 8.05 1t11A1 ALA 375 HA -0.01 -0.00 0.44 -0.75 4.34 4.01 1t11A1 ALA 375 HB3 -0.02 0.02 0.01 -0.04 1.41 1.37 1t11A1 THR 376 H -0.04 0.36 -0.08 -0.55 8.28 7.97 1t11A1 THR 376 HA -0.17 0.14 0.78 -0.75 4.39 4.39 1t11A1 THR 376 HB -0.53 -0.02 0.08 -0.04 4.32 3.81 1t11A1 THR 376 HG23 -0.18 0.04 0.01 -0.04 1.22 1.04 1t11A1 ALA 377 H 0.01 0.59 0.03 -0.55 8.40 8.49 1t11A1 ALA 377 HA 0.04 0.03 0.30 -0.75 4.34 3.96 1t11A1 ALA 377 HB3 0.04 0.03 -0.03 -0.04 1.41 1.42 1t11A1 TYR 378 H 0.18 0.03 -0.32 -0.55 8.29 7.63 1t11A1 TYR 378 HA 0.11 0.23 0.75 -0.75 4.56 4.89 1t11A1 TYR 378 HB2 0.36 0.15 -0.09 -0.04 3.06 3.43 1t11A1 TYR 378 HB3 0.30 -0.02 -0.01 -0.04 2.98 3.21 1t11A1 TYR 378 HD2 0.21 0.02 0.04 -0.04 7.15 7.38 1t11A1 TYR 378 HE2 0.05 0.03 -0.01 -0.04 6.85 6.87