============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 5 0.840 32.640 67.559 -25.369 -99.200 -91.000 TRP 21 1.040 21.713 55.296 -21.014 -99.200 -91.000 TRP6 21 1.020 22.389 54.027 -22.891 -99.200 -91.000 HIS 27 0.900 16.004 64.337 -21.907 -99.200 -91.000 HIS 40 0.900 39.577 44.746 -12.386 -99.200 -91.000 PHE 45 1.000 43.922 50.495 -5.448 -99.200 -91.000 TYR 69 0.840 29.193 28.888 -2.406 -99.200 -91.000 PHE 79 1.000 19.572 20.142 6.102 -99.200 -91.000 TRP 81 1.040 24.053 17.162 0.950 -99.200 -91.000 TRP6 81 1.020 24.325 16.503 -1.296 -99.200 -91.000 TRP 92 1.040 42.983 35.891 -1.928 -99.200 -91.000 TRP6 92 1.020 41.314 37.087 -0.755 -99.200 -91.000 TYR 110 0.840 29.766 50.477 -17.599 -99.200 -91.000 PHE 114 1.000 31.436 56.104 -22.383 -99.200 -91.000 PHE 122 1.000 36.883 56.767 -20.410 -99.200 -91.000 HIS 123 0.900 36.323 63.340 -23.851 -99.200 -91.000 PHE 126 1.000 44.174 61.086 -11.955 -99.200 -91.000 HIS 133 0.900 29.708 78.247 -19.135 -99.200 -91.000 HIS 144 0.900 52.246 72.972 -11.272 -99.200 -91.000 TYR 155 0.840 23.367 73.011 -18.043 -99.200 -91.000 TRP 163 1.040 41.377 57.787 -1.914 -99.200 -91.000 TRP6 163 1.020 41.397 56.398 -3.832 -99.200 -91.000 PHE 174 1.000 55.539 50.012 7.498 -99.200 -91.000 PHE 182 1.000 37.104 44.873 -3.316 -99.200 -91.000 TYR 183 0.840 42.505 45.045 -7.536 -99.200 -91.000 TYR 198 0.840 29.088 49.938 3.827 -99.200 -91.000 PHE 203 1.000 36.506 44.295 1.985 -99.200 -91.000 PHE 207 1.000 40.472 40.036 4.173 -99.200 -91.000 TYR 210 0.840 37.309 32.723 -0.264 -99.200 -91.000 TYR 216 0.840 44.810 34.967 14.693 -99.200 -91.000 TYR 221 0.840 33.381 51.004 16.477 -99.200 -91.000 PHE 230 1.000 23.562 49.631 9.999 -99.200 -91.000 HIS 267 0.900 54.936 43.553 17.532 -99.200 -91.000 HIS 269 0.900 54.037 48.481 19.487 -99.200 -91.000 PHE 270 1.000 45.541 46.016 18.696 -99.200 -91.000 TYR 278 0.840 46.384 41.392 14.297 -99.200 -91.000 TYR 314 0.840 14.694 70.749 -7.306 -99.200 -91.000 TYR 323 0.840 22.650 71.257 -11.545 -99.200 -91.000 PHE 345 1.000 22.744 67.008 -14.090 -99.200 -91.000 PHE 350 1.000 21.299 68.407 -19.802 -99.200 -91.000 HIS 359 0.900 18.947 62.462 -0.658 -99.200 -91.000 PHE 367 1.000 24.380 42.281 0.238 -99.200 -91.000 TYR 386 0.840 7.374 60.414 14.064 -99.200 -91.000 TYR 392 0.840 4.229 46.655 16.749 -99.200 -91.000 PHE 396 1.000 11.884 34.108 12.535 -99.200 -91.000 HIS 401 0.900 20.086 27.920 10.363 -99.200 -91.000 HIS 408 0.900 25.920 30.459 14.479 -99.200 -91.000 PHE 411 1.000 15.061 36.910 9.126 -99.200 -91.000 HIS 428 0.900 15.637 49.398 12.087 -99.200 -91.000 PHE 454 1.000 4.793 45.987 7.421 -99.200 -91.000 HIS 455 0.900 -1.910 43.807 12.322 -99.200 -91.000 HIS 461 0.900 4.316 27.815 7.335 -99.200 -91.000 TYR 476 0.840 11.100 48.339 23.833 -99.200 -91.000 PHE 477 1.000 3.277 50.729 23.608 -99.200 -91.000 TYR 478 0.840 12.035 54.172 23.076 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jk6A1 MET 1 HA 0.01 -0.09 0.21 -0.75 4.52 3.90 2jk6A1 MET 1 HB2 -0.00 0.01 0.03 -0.04 2.15 2.15 2jk6A1 MET 1 HB3 -0.00 0.01 -0.05 -0.04 2.03 1.95 2jk6A1 MET 1 HG2 0.03 -0.03 0.06 -0.04 2.63 2.65 2jk6A1 MET 1 HG3 0.02 0.03 0.04 -0.04 2.56 2.61 2jk6A1 MET 1 HE3 0.05 -0.07 -0.09 -0.04 2.10 1.95 2jk6A1 SER 2 H -0.00 0.05 0.12 -0.55 8.46 8.08 2jk6A1 SER 2 HA -0.02 0.22 0.82 -0.75 4.49 4.75 2jk6A1 SER 2 HB2 -0.02 -0.02 0.12 -0.04 3.95 3.98 2jk6A1 SER 2 HB3 -0.02 0.02 -0.04 -0.04 3.93 3.85 2jk6A1 ARG 3 H -0.00 0.10 0.05 -0.55 8.46 8.05 2jk6A1 ARG 3 HA -0.01 0.17 0.84 -0.75 4.34 4.59 2jk6A1 ARG 3 HB2 0.02 -0.09 -0.11 -0.04 1.90 1.68 2jk6A1 ARG 3 HB3 0.05 0.10 -0.13 -0.04 1.80 1.77 2jk6A1 ARG 3 HG2 0.08 0.00 -0.46 -0.04 1.67 1.25 2jk6A1 ARG 3 HG3 0.02 -0.02 -0.10 -0.04 1.67 1.53 2jk6A1 ARG 3 HD2 -0.02 -0.07 -0.19 -0.04 3.22 2.90 2jk6A1 ARG 3 HD3 0.09 0.09 -0.33 -0.04 3.22 3.04 2jk6A1 ALA 4 H -0.03 0.16 0.17 -0.55 8.40 8.15 2jk6A1 ALA 4 HA -0.20 0.07 0.44 -0.75 4.34 3.90 2jk6A1 ALA 4 HB3 -0.25 0.02 0.16 -0.04 1.41 1.30 2jk6A1 TYR 5 H 0.08 0.42 0.14 -0.55 8.29 8.38 2jk6A1 TYR 5 HA 0.04 0.20 0.86 -0.75 4.56 4.92 2jk6A1 TYR 5 HB2 0.04 -0.09 -0.20 -0.04 3.06 2.77 2jk6A1 TYR 5 HB3 0.06 0.12 -0.08 -0.04 2.98 3.04 2jk6A1 TYR 5 HD2 0.03 0.01 -0.31 -0.04 7.15 6.83 2jk6A1 TYR 5 HE2 0.04 -0.01 -0.14 -0.04 6.85 6.70 2jk6A1 ASP 6 H 0.17 0.42 0.32 -0.55 8.40 8.76 2jk6A1 ASP 6 HA 0.22 0.04 0.79 -0.75 4.63 4.92 2jk6A1 ASP 6 HB2 0.05 0.06 0.14 -0.04 2.71 2.91 2jk6A1 ASP 6 HB3 0.25 0.02 0.03 -0.04 2.70 2.96 2jk6A1 LEU 7 H 0.17 0.53 0.22 -0.55 8.37 8.75 2jk6A1 LEU 7 HA 0.31 0.29 0.94 -0.75 4.35 5.13 2jk6A1 LEU 7 HB2 0.10 -0.00 -0.19 -0.04 1.64 1.51 2jk6A1 LEU 7 HB3 0.11 -0.07 -0.04 -0.04 1.64 1.60 2jk6A1 LEU 7 HG 0.56 0.06 -0.17 -0.04 1.64 2.05 2jk6A1 LEU 7 HD13 0.29 -0.02 -0.22 -0.04 0.93 0.95 2jk6A1 LEU 7 HD23 0.22 -0.01 -0.34 -0.04 0.89 0.72 2jk6A1 VAL 8 H 0.14 0.72 0.26 -0.55 8.24 8.81 2jk6A1 VAL 8 HA -0.07 0.29 0.89 -0.75 4.13 4.49 2jk6A1 VAL 8 HB 0.01 0.03 0.08 -0.04 2.12 2.20 2jk6A1 VAL 8 HG13 -0.09 -0.03 -0.26 -0.04 0.97 0.56 2jk6A1 VAL 8 HG23 -0.17 -0.01 -0.19 -0.04 0.95 0.55 2jk6A1 VAL 9 H 0.01 0.79 0.28 -0.55 8.24 8.77 2jk6A1 VAL 9 HA 0.02 0.18 0.97 -0.75 4.13 4.55 2jk6A1 VAL 9 HB 0.07 -0.08 0.10 -0.04 2.12 2.18 2jk6A1 VAL 9 HG13 0.02 0.01 -0.14 -0.04 0.97 0.83 2jk6A1 VAL 9 HG23 0.09 0.02 -0.14 -0.04 0.95 0.88 2jk6A1 LEU 10 H 0.00 0.83 0.34 -0.55 8.37 8.99 2jk6A1 LEU 10 HA -0.01 0.11 0.78 -0.75 4.35 4.48 2jk6A1 LEU 10 HB2 0.00 0.06 0.27 -0.04 1.64 1.92 2jk6A1 LEU 10 HB3 -0.00 -0.07 0.11 -0.04 1.64 1.64 2jk6A1 LEU 10 HG -0.02 0.03 -0.16 -0.04 1.64 1.45 2jk6A1 LEU 10 HD13 0.00 0.01 -0.15 -0.04 0.93 0.76 2jk6A1 LEU 10 HD23 -0.01 -0.01 -0.14 -0.04 0.89 0.70 2jk6A1 GLY 11 H 0.01 0.71 0.22 -0.55 8.43 8.83 2jk6A1 GLY 11 HA2 0.01 -0.04 0.47 -0.51 4.01 3.94 2jk6A1 GLY 11 HA3 0.02 0.17 0.69 -0.51 4.01 4.39 2jk6A1 ALA 12 H 0.04 0.16 0.02 -0.55 8.40 8.08 2jk6A1 ALA 12 HA 0.05 0.18 0.62 -0.75 4.34 4.44 2jk6A1 ALA 12 HB3 0.04 0.03 0.03 -0.04 1.41 1.47 2jk6A1 GLY 13 H 0.02 0.30 -0.51 -0.55 8.43 7.69 2jk6A1 GLY 13 HA2 -0.01 0.14 0.23 -0.51 4.01 3.86 2jk6A1 GLY 13 HA3 0.02 -0.02 0.31 -0.51 4.01 3.81 2jk6A1 SER 14 H 0.02 0.00 0.16 -0.55 8.46 8.09 2jk6A1 SER 14 HA 0.01 0.23 0.44 -0.75 4.49 4.42 2jk6A1 SER 14 HB2 0.03 -0.14 0.18 -0.04 3.95 3.98 2jk6A1 SER 14 HB3 0.02 0.14 0.06 -0.04 3.93 4.12 2jk6A1 GLY 15 H 0.03 -0.04 -0.13 -0.55 8.43 7.73 2jk6A1 GLY 15 HA2 0.04 0.21 0.25 -0.51 4.01 4.00 2jk6A1 GLY 15 HA3 0.03 0.02 0.10 -0.51 4.01 3.65 2jk6A1 GLY 16 H 0.02 -0.11 -0.25 -0.55 8.43 7.54 2jk6A1 GLY 16 HA2 0.02 0.09 0.28 -0.51 4.01 3.90 2jk6A1 GLY 16 HA3 0.03 0.24 0.29 -0.51 4.01 4.06 2jk6A1 LEU 17 H 0.01 0.44 -0.28 -0.55 8.37 8.00 2jk6A1 LEU 17 HA 0.08 0.06 0.29 -0.75 4.35 4.01 2jk6A1 LEU 17 HB2 -0.04 0.12 -0.04 -0.04 1.64 1.64 2jk6A1 LEU 17 HB3 -0.03 0.04 -0.12 -0.04 1.64 1.50 2jk6A1 LEU 17 HG -0.08 -0.16 -0.15 -0.04 1.64 1.21 2jk6A1 LEU 17 HD13 -0.62 -0.01 -0.05 -0.04 0.93 0.21 2jk6A1 LEU 17 HD23 0.04 0.01 -0.06 -0.04 0.89 0.84 2jk6A1 GLU 18 H 0.05 0.21 -0.42 -0.55 8.60 7.89 2jk6A1 GLU 18 HA 0.10 0.05 0.35 -0.75 4.29 4.03 2jk6A1 GLU 18 HB2 0.05 0.03 0.14 -0.04 2.09 2.26 2jk6A1 GLU 18 HB3 0.07 0.03 0.16 -0.04 1.99 2.21 2jk6A1 GLU 18 HG2 0.07 0.10 0.06 -0.04 2.34 2.53 2jk6A1 GLU 18 HG3 0.12 0.02 -0.36 -0.04 2.34 2.08 2jk6A1 ALA 19 H 0.11 0.49 -0.19 -0.55 8.40 8.26 2jk6A1 ALA 19 HA 0.20 0.08 0.33 -0.75 4.34 4.20 2jk6A1 ALA 19 HB3 0.19 0.00 0.05 -0.04 1.41 1.61 2jk6A1 GLY 20 H 0.13 0.61 -0.08 -0.55 8.43 8.53 2jk6A1 GLY 20 HA2 0.09 -0.01 0.20 -0.51 4.01 3.78 2jk6A1 GLY 20 HA3 0.12 0.02 0.19 -0.51 4.01 3.83 2jk6A1 TRP 21 H 0.26 0.70 -0.20 -0.55 7.97 8.18 2jk6A1 TRP 21 HA -0.07 0.04 0.40 -0.75 4.62 4.24 2jk6A1 TRP 21 HB2 -0.07 -0.05 0.04 -0.04 3.23 3.11 2jk6A1 TRP 21 HB3 -0.01 0.13 0.11 -0.04 3.23 3.41 2jk6A1 TRP 21 HD1 -0.00 0.04 -0.15 -0.04 7.22 7.06 2jk6A1 TRP 21 HE1 -0.02 -0.01 -0.07 -0.04 10.20 10.06 2jk6A1 TRP 21 HE3 -0.12 0.00 -0.04 -0.04 7.59 7.39 2jk6A1 TRP 21 HZ2 -0.03 -0.00 -0.03 -0.04 7.44 7.34 2jk6A1 TRP 21 HZ3 -0.07 0.07 -0.02 -0.04 7.13 7.07 2jk6A1 TRP 21 HH2 -0.04 0.02 -0.02 -0.04 7.19 7.11 2jk6A1 ASN 22 H 0.23 0.48 -0.20 -0.55 8.53 8.50 2jk6A1 ASN 22 HA -0.06 -0.04 0.36 -0.75 4.76 4.27 2jk6A1 ASN 22 HB2 0.16 0.16 0.21 -0.04 2.88 3.37 2jk6A1 ASN 22 HB3 0.14 -0.03 -0.05 -0.04 2.79 2.81 2jk6A1 ASN 22 HD21 0.16 -0.10 -0.03 -0.04 7.03 7.02 2jk6A1 ASN 22 HD22 0.17 -0.01 -0.12 -0.04 7.74 7.73 2jk6A1 ALA 23 H 0.01 0.57 -0.07 -0.55 8.40 8.36 2jk6A1 ALA 23 HA -0.10 0.03 0.30 -0.75 4.34 3.82 2jk6A1 ALA 23 HB3 -0.34 0.01 -0.05 -0.04 1.41 0.99 2jk6A1 ALA 24 H -0.15 0.35 -0.43 -0.55 8.40 7.63 2jk6A1 ALA 24 HA -0.14 0.17 0.43 -0.75 4.34 4.04 2jk6A1 ALA 24 HB3 -0.17 0.02 -0.00 -0.04 1.41 1.22 2jk6A1 VAL 25 H -0.53 0.57 0.07 -0.55 8.24 7.80 2jk6A1 VAL 25 HA -0.36 0.16 0.59 -0.75 4.13 3.77 2jk6A1 VAL 25 HB -0.52 -0.03 0.04 -0.04 2.12 1.57 2jk6A1 VAL 25 HG13 -1.43 0.00 0.03 -0.04 0.97 -0.47 2jk6A1 VAL 25 HG23 -0.89 0.07 0.04 -0.04 0.95 0.13 2jk6A1 THR 26 H -0.30 0.38 0.14 -0.55 8.28 7.95 2jk6A1 THR 26 HA -0.26 0.09 0.47 -0.75 4.39 3.94 2jk6A1 THR 26 HB -0.54 0.01 0.01 -0.04 4.32 3.76 2jk6A1 THR 26 HG23 -0.12 -0.03 0.01 -0.04 1.22 1.05 2jk6A1 HIS 27 H -0.15 0.18 -0.35 -0.55 8.41 7.54 2jk6A1 HIS 27 HA -0.06 0.19 0.84 -0.75 4.63 4.84 2jk6A1 HIS 27 HB2 -0.15 0.02 0.03 -0.04 3.26 3.12 2jk6A1 HIS 27 HB3 -0.04 0.02 0.10 -0.04 3.20 3.24 2jk6A1 HIS 27 HD2 -0.06 -0.03 -0.35 -0.04 6.97 6.49 2jk6A1 HIS 27 HE1 -0.00 -0.00 -0.06 -0.04 7.75 7.65 2jk6A1 LYS 28 H -0.12 0.10 -0.34 -0.55 8.42 7.50 2jk6A1 LYS 28 HA -0.10 0.34 0.44 -0.75 4.32 4.25 2jk6A1 LYS 28 HB2 -0.03 0.02 -0.24 -0.04 1.87 1.58 2jk6A1 LYS 28 HB3 -0.04 -0.08 0.19 -0.04 1.79 1.82 2jk6A1 LYS 28 HG2 -0.08 0.00 0.08 -0.04 1.46 1.43 2jk6A1 LYS 28 HG3 -0.10 0.10 -0.04 -0.04 1.46 1.38 2jk6A1 LYS 28 HD2 -0.04 -0.01 -0.07 -0.04 1.69 1.52 2jk6A1 LYS 28 HD3 -0.04 -0.06 0.00 -0.04 1.68 1.54 2jk6A1 LYS 28 HE2 -0.06 -0.03 0.03 -0.04 2.99 2.89 2jk6A1 LYS 28 HE3 -0.08 0.09 -0.00 -0.04 2.99 2.96 2jk6A1 LYS 29 H -0.11 0.42 -0.11 -0.55 8.42 8.07 2jk6A1 LYS 29 HA -0.04 0.13 0.77 -0.75 4.32 4.42 2jk6A1 LYS 29 HB2 -0.31 -0.08 -0.25 -0.04 1.87 1.19 2jk6A1 LYS 29 HB3 -0.20 -0.15 -0.03 -0.04 1.79 1.36 2jk6A1 LYS 29 HG2 -0.12 0.31 -0.21 -0.04 1.46 1.39 2jk6A1 LYS 29 HG3 -0.68 -0.12 -0.06 -0.04 1.46 0.56 2jk6A1 LYS 29 HD2 0.00 -0.12 -0.00 -0.04 1.69 1.53 2jk6A1 LYS 29 HD3 0.00 0.00 0.03 -0.04 1.68 1.67 2jk6A1 LYS 29 HE2 0.07 0.17 0.02 -0.04 2.99 3.21 2jk6A1 LYS 29 HE3 0.19 -0.02 0.03 -0.04 2.99 3.14 2jk6A1 LYS 30 H 0.02 0.08 0.18 -0.55 8.42 8.15 2jk6A1 LYS 30 HA 0.08 0.26 0.88 -0.75 4.32 4.78 2jk6A1 LYS 30 HB2 0.09 -0.25 0.32 -0.04 1.87 1.98 2jk6A1 LYS 30 HB3 0.15 0.09 0.16 -0.04 1.79 2.15 2jk6A1 LYS 30 HG2 0.03 0.00 0.08 -0.04 1.46 1.53 2jk6A1 LYS 30 HG3 0.02 0.03 0.02 -0.04 1.46 1.48 2jk6A1 LYS 30 HD2 0.01 -0.09 0.04 -0.04 1.69 1.60 2jk6A1 LYS 30 HD3 -0.05 0.15 0.08 -0.04 1.68 1.81 2jk6A1 LYS 30 HE2 -0.02 -0.03 0.02 -0.04 2.99 2.93 2jk6A1 LYS 30 HE3 -0.00 0.03 0.03 -0.04 2.99 3.01 2jk6A1 VAL 31 H 0.11 1.07 0.41 -0.55 8.24 9.28 2jk6A1 VAL 31 HA 0.09 0.13 1.02 -0.75 4.13 4.61 2jk6A1 VAL 31 HB 0.07 -0.00 0.07 -0.04 2.12 2.22 2jk6A1 VAL 31 HG13 0.07 -0.05 -0.14 -0.04 0.97 0.81 2jk6A1 VAL 31 HG23 -0.06 0.08 -0.28 -0.04 0.95 0.64 2jk6A1 ALA 32 H -0.07 0.74 0.41 -0.55 8.40 8.94 2jk6A1 ALA 32 HA 0.07 0.24 0.96 -0.75 4.34 4.85 2jk6A1 ALA 32 HB3 -0.97 -0.01 -0.00 -0.04 1.41 0.38 2jk6A1 VAL 33 H 0.25 0.76 0.32 -0.55 8.24 9.02 2jk6A1 VAL 33 HA 0.09 0.15 1.04 -0.75 4.13 4.66 2jk6A1 VAL 33 HB 0.45 0.05 0.03 -0.04 2.12 2.61 2jk6A1 VAL 33 HG13 0.23 -0.03 -0.29 -0.04 0.97 0.85 2jk6A1 VAL 33 HG23 0.23 0.01 -0.27 -0.04 0.95 0.88 2jk6A1 VAL 34 H 0.03 0.72 0.27 -0.55 8.24 8.71 2jk6A1 VAL 34 HA -0.12 0.33 0.96 -0.75 4.13 4.55 2jk6A1 VAL 34 HB -0.05 -0.12 0.14 -0.04 2.12 2.05 2jk6A1 VAL 34 HG13 -0.10 0.05 -0.20 -0.04 0.97 0.68 2jk6A1 VAL 34 HG23 -0.12 0.01 -0.25 -0.04 0.95 0.55 2jk6A1 ASP 35 H -0.06 0.44 0.18 -0.55 8.40 8.41 2jk6A1 ASP 35 HA -0.02 0.07 0.55 -0.75 4.63 4.47 2jk6A1 ASP 35 HB2 0.18 -0.06 -0.17 -0.04 2.71 2.62 2jk6A1 ASP 35 HB3 0.27 0.16 -0.10 -0.04 2.70 2.99 2jk6A1 VAL 36 H -0.11 0.04 0.08 -0.55 8.24 7.70 2jk6A1 VAL 36 HA -0.43 0.14 0.20 -0.75 4.13 3.28 2jk6A1 VAL 36 HB -0.18 -0.01 0.06 -0.04 2.12 1.95 2jk6A1 VAL 36 HG13 -0.28 0.02 -0.15 -0.04 0.97 0.51 2jk6A1 VAL 36 HG23 -0.87 -0.01 -0.03 -0.04 0.95 0.00 2jk6A1 GLN 37 H 0.01 0.04 -0.03 -0.55 8.47 7.94 2jk6A1 GLN 37 HA 0.06 0.21 0.57 -0.75 4.36 4.44 2jk6A1 GLN 37 HB2 0.00 -0.12 0.15 -0.04 2.15 2.14 2jk6A1 GLN 37 HB3 -0.01 0.12 -0.06 -0.04 2.02 2.03 2jk6A1 GLN 37 HG2 -0.01 -0.05 -0.14 -0.04 2.40 2.16 2jk6A1 GLN 37 HG3 0.01 -0.09 -0.24 -0.04 2.39 2.04 2jk6A1 GLN 37 HE21 -0.06 0.25 -0.14 -0.04 6.97 6.98 2jk6A1 GLN 37 HE22 0.04 0.05 -0.53 -0.04 7.69 7.21 2jk6A1 ALA 38 H 0.03 0.17 0.15 -0.55 8.40 8.21 2jk6A1 ALA 38 HA -0.16 0.09 0.68 -0.75 4.34 4.20 2jk6A1 ALA 38 HB3 0.01 0.03 0.05 -0.04 1.41 1.46 2jk6A1 THR 39 H -0.01 0.12 0.11 -0.55 8.28 7.95 2jk6A1 THR 39 HA 0.05 0.18 0.86 -0.75 4.39 4.72 2jk6A1 THR 39 HB -0.01 0.04 0.09 -0.04 4.32 4.40 2jk6A1 THR 39 HG23 0.02 -0.01 -0.13 -0.04 1.22 1.06 2jk6A1 HIS 40 H 0.25 0.09 0.06 -0.55 8.41 8.26 2jk6A1 HIS 40 HA 0.06 0.11 0.23 -0.75 4.63 4.28 2jk6A1 HIS 40 HB2 0.16 0.06 0.06 -0.04 3.26 3.50 2jk6A1 HIS 40 HB3 0.06 -0.06 0.05 -0.04 3.20 3.21 2jk6A1 HIS 40 HD2 0.03 -0.07 -0.02 -0.04 6.97 6.87 2jk6A1 HIS 40 HE1 0.17 0.02 -0.00 -0.04 7.75 7.89 2jk6A1 GLY 41 H 0.13 0.26 0.14 -0.55 8.43 8.42 2jk6A1 GLY 41 HA2 -0.52 0.04 0.27 -0.51 4.01 3.28 2jk6A1 GLY 41 HA3 -0.30 0.28 0.85 -0.51 4.01 4.33 2jk6A1 PRO 42 HA -1.15 -0.09 0.48 -0.51 4.44 3.17 2jk6A1 PRO 42 HB2 -0.30 0.08 -0.02 -0.04 2.28 2.00 2jk6A1 PRO 42 HB3 -0.53 0.01 0.07 -0.04 2.02 1.52 2jk6A1 PRO 42 HG2 -0.28 0.08 0.07 -0.04 2.03 1.85 2jk6A1 PRO 42 HG3 -0.27 0.10 0.06 -0.04 2.03 1.88 2jk6A1 PRO 42 HD2 -0.73 0.17 0.22 -0.04 3.68 3.30 2jk6A1 PRO 42 HD3 -1.54 0.13 0.10 -0.04 3.65 2.30 2jk6A1 PRO 43 HA -0.49 0.03 0.33 -0.51 4.44 3.80 2jk6A1 PRO 43 HB2 -0.04 0.02 0.09 -0.04 2.28 2.31 2jk6A1 PRO 43 HB3 -0.08 0.04 0.10 -0.04 2.02 2.04 2jk6A1 PRO 43 HG2 -0.04 0.02 0.01 -0.04 2.03 1.99 2jk6A1 PRO 43 HG3 -0.06 0.05 0.07 -0.04 2.03 2.05 2jk6A1 PRO 43 HD2 -0.11 0.07 0.11 -0.04 3.68 3.72 2jk6A1 PRO 43 HD3 -0.11 0.19 0.43 -0.04 3.65 4.11 2jk6A1 LEU 44 H -0.25 0.30 0.02 -0.55 8.37 7.89 2jk6A1 LEU 44 HA 0.14 0.15 0.77 -0.75 4.35 4.65 2jk6A1 LEU 44 HB2 -0.01 0.14 -0.05 -0.04 1.64 1.67 2jk6A1 LEU 44 HB3 0.06 -0.05 0.02 -0.04 1.64 1.63 2jk6A1 LEU 44 HG 0.00 -0.09 -0.15 -0.04 1.64 1.37 2jk6A1 LEU 44 HD13 0.02 0.02 -0.09 -0.04 0.93 0.84 2jk6A1 LEU 44 HD23 0.23 -0.00 -0.05 -0.04 0.89 1.03 2jk6A1 PHE 45 H -0.32 0.57 0.03 -0.55 8.34 8.06 2jk6A1 PHE 45 HA 0.10 -0.08 0.10 -0.75 4.62 3.99 2jk6A1 PHE 45 HB2 0.28 0.07 -0.01 -0.04 3.15 3.44 2jk6A1 PHE 45 HB3 0.20 -0.04 -0.07 -0.04 3.06 3.11 2jk6A1 PHE 45 HD2 0.31 0.09 -0.25 -0.04 7.28 7.39 2jk6A1 PHE 45 HE2 0.14 0.09 -0.14 -0.04 7.38 7.43 2jk6A1 PHE 45 HZ 0.07 0.04 -0.09 -0.04 7.32 7.30 2jk6A1 ALA 46 H 0.45 0.37 0.35 -0.55 8.40 9.02 2jk6A1 ALA 46 HA 0.18 -0.03 0.38 -0.75 4.34 4.12 2jk6A1 ALA 46 HB3 0.23 -0.02 0.05 -0.04 1.41 1.62 2jk6A1 ALA 47 H 0.08 0.12 -0.01 -0.55 8.40 8.04 2jk6A1 ALA 47 HA 0.03 0.03 0.46 -0.75 4.34 4.11 2jk6A1 ALA 47 HB3 0.05 0.06 -0.56 -0.04 1.41 0.92 2jk6A1 LEU 48 H -0.07 0.45 -0.00 -0.55 8.37 8.20 2jk6A1 LEU 48 HA -0.16 -0.08 0.53 -0.75 4.35 3.89 2jk6A1 LEU 48 HB2 -0.41 0.09 0.24 -0.04 1.64 1.52 2jk6A1 LEU 48 HB3 -0.16 0.17 0.22 -0.04 1.64 1.84 2jk6A1 LEU 48 HG -0.32 -0.01 -0.09 -0.04 1.64 1.19 2jk6A1 LEU 48 HD13 -0.54 -0.02 -0.01 -0.04 0.93 0.32 2jk6A1 LEU 48 HD23 -0.41 0.04 -0.01 -0.04 0.89 0.47 2jk6A1 GLY 49 H -0.21 0.46 0.33 -0.55 8.43 8.46 2jk6A1 GLY 49 HA2 -0.36 0.02 0.35 -0.51 4.01 3.50 2jk6A1 GLY 49 HA3 -0.05 0.19 0.77 -0.51 4.01 4.41 2jk6A1 GLY 50 H -0.03 0.79 0.03 -0.55 8.43 8.68 2jk6A1 GLY 50 HA2 0.03 0.10 0.29 -0.51 4.01 3.93 2jk6A1 GLY 50 HA3 0.02 -0.17 0.55 -0.51 4.01 3.89 2jk6A1 THR 51 H 0.07 0.11 0.18 -0.55 8.28 8.09 2jk6A1 THR 51 HA 0.08 0.13 0.35 -0.75 4.39 4.20 2jk6A1 THR 51 HB 0.08 -0.12 0.16 -0.04 4.32 4.40 2jk6A1 THR 51 HG23 0.08 0.02 -0.20 -0.04 1.22 1.08 2jk6A1 CYS 52 H 0.04 0.04 -0.03 -0.55 8.50 8.01 2jk6A1 CYS 52 HA 0.02 -0.20 0.33 -0.75 4.58 3.97 2jk6A1 CYS 52 HB2 0.04 -0.08 0.17 -0.04 2.97 3.06 2jk6A1 CYS 52 HB3 0.02 0.14 0.09 -0.04 2.97 3.18 2jk6A1 VAL 53 H 0.01 0.20 -0.41 -0.55 8.24 7.49 2jk6A1 VAL 53 HA -0.04 0.05 0.45 -0.75 4.13 3.84 2jk6A1 VAL 53 HB 0.04 0.03 -0.12 -0.04 2.12 2.03 2jk6A1 VAL 53 HG13 0.06 0.03 -0.11 -0.04 0.97 0.91 2jk6A1 VAL 53 HG23 0.09 -0.01 0.00 -0.04 0.95 0.99 2jk6A1 ASN 54 H -0.01 0.23 -0.23 -0.55 8.53 7.98 2jk6A1 ASN 54 HA -0.09 0.17 0.48 -0.75 4.76 4.57 2jk6A1 ASN 54 HB2 0.07 -0.09 0.05 -0.04 2.88 2.86 2jk6A1 ASN 54 HB3 0.14 0.10 -0.03 -0.04 2.79 2.96 2jk6A1 ASN 54 HD21 0.02 0.24 -0.70 -0.04 7.03 6.56 2jk6A1 ASN 54 HD22 0.04 0.15 -0.12 -0.04 7.74 7.77 2jk6A1 VAL 55 H -0.05 0.41 0.11 -0.55 8.24 8.16 2jk6A1 VAL 55 HA -0.77 0.26 0.76 -0.75 4.13 3.62 2jk6A1 VAL 55 HB 0.10 -0.06 0.11 -0.04 2.12 2.23 2jk6A1 VAL 55 HG13 0.24 0.03 -0.21 -0.04 0.97 0.98 2jk6A1 VAL 55 HG23 0.12 -0.05 -0.08 -0.04 0.95 0.90 2jk6A1 GLY 56 H -0.20 0.25 -0.26 -0.55 8.43 7.67 2jk6A1 GLY 56 HA2 0.14 0.16 0.68 -0.51 4.01 4.48 2jk6A1 GLY 56 HA3 0.04 -0.22 0.11 -0.51 4.01 3.43 2jk6A1 CYS 57 H 0.04 -0.02 0.15 -0.55 8.50 8.13 2jk6A1 CYS 57 HA 0.02 0.02 0.27 -0.75 4.58 4.14 2jk6A1 CYS 57 HB2 -0.03 0.12 0.01 -0.04 2.97 3.03 2jk6A1 CYS 57 HB3 0.01 0.03 0.11 -0.04 2.97 3.08 2jk6A1 VAL 58 H -0.07 0.49 -0.06 -0.55 8.24 8.04 2jk6A1 VAL 58 HA -0.12 0.01 0.33 -0.75 4.13 3.60 2jk6A1 VAL 58 HB -0.11 0.22 0.23 -0.04 2.12 2.42 2jk6A1 VAL 58 HG13 -0.11 0.01 -0.08 -0.04 0.97 0.74 2jk6A1 VAL 58 HG23 -0.06 -0.04 -0.03 -0.04 0.95 0.77 2jk6A1 PRO 59 HA -0.17 0.07 0.47 -0.51 4.44 4.30 2jk6A1 PRO 59 HB2 -0.49 0.03 -0.08 -0.04 2.28 1.70 2jk6A1 PRO 59 HB3 -0.38 0.10 0.07 -0.04 2.02 1.77 2jk6A1 PRO 59 HG2 -0.66 -0.01 -0.13 -0.04 2.03 1.19 2jk6A1 PRO 59 HG3 -0.59 0.29 -0.38 -0.04 2.03 1.32 2jk6A1 PRO 59 HD2 -0.18 -0.04 -0.23 -0.04 3.68 3.19 2jk6A1 PRO 59 HD3 -0.21 0.44 0.00 -0.04 3.65 3.84 2jk6A1 LYS 60 H -0.01 0.60 -0.23 -0.55 8.42 8.22 2jk6A1 LYS 60 HA 0.01 0.04 0.34 -0.75 4.32 3.96 2jk6A1 LYS 60 HB2 0.03 -0.05 -0.05 -0.04 1.87 1.76 2jk6A1 LYS 60 HB3 0.08 0.28 -0.09 -0.04 1.79 2.01 2jk6A1 LYS 60 HG2 -0.19 0.01 -0.29 -0.04 1.46 0.95 2jk6A1 LYS 60 HG3 -0.10 -0.11 -0.14 -0.04 1.46 1.08 2jk6A1 LYS 60 HD2 0.01 -0.15 -0.11 -0.04 1.69 1.40 2jk6A1 LYS 60 HD3 -0.15 0.23 -0.09 -0.04 1.68 1.63 2jk6A1 LYS 60 HE2 -0.12 0.02 -0.04 -0.04 2.99 2.80 2jk6A1 LYS 60 HE3 0.05 0.03 -0.10 -0.04 2.99 2.93 2jk6A1 LYS 61 H -0.15 0.56 -0.21 -0.55 8.42 8.06 2jk6A1 LYS 61 HA -0.26 0.01 0.43 -0.75 4.32 3.75 2jk6A1 LYS 61 HB2 -0.35 0.15 0.16 -0.04 1.87 1.79 2jk6A1 LYS 61 HB3 -0.25 0.06 0.05 -0.04 1.79 1.61 2jk6A1 LYS 61 HG2 -0.42 -0.04 0.08 -0.04 1.46 1.05 2jk6A1 LYS 61 HG3 -1.17 -0.07 0.03 -0.04 1.46 0.21 2jk6A1 LYS 61 HD2 -0.53 -0.04 -0.03 -0.04 1.69 1.05 2jk6A1 LYS 61 HD3 -0.27 0.05 -0.05 -0.04 1.68 1.37 2jk6A1 LYS 61 HE2 -0.18 0.02 -0.03 -0.04 2.99 2.76 2jk6A1 LYS 61 HE3 -0.50 -0.04 -0.03 -0.04 2.99 2.38 2jk6A1 LEU 62 H -0.14 0.45 -0.08 -0.55 8.37 8.05 2jk6A1 LEU 62 HA -0.10 0.02 0.49 -0.75 4.35 4.01 2jk6A1 LEU 62 HB2 -0.13 0.15 0.15 -0.04 1.64 1.77 2jk6A1 LEU 62 HB3 -0.11 -0.02 0.03 -0.04 1.64 1.51 2jk6A1 LEU 62 HG -0.12 0.12 0.10 -0.04 1.64 1.69 2jk6A1 LEU 62 HD13 -0.13 -0.02 -0.00 -0.04 0.93 0.74 2jk6A1 LEU 62 HD23 -0.09 -0.01 0.00 -0.04 0.89 0.75 2jk6A1 MET 63 H -0.14 0.42 -0.27 -0.55 8.47 7.93 2jk6A1 MET 63 HA -0.20 0.06 0.49 -0.75 4.52 4.12 2jk6A1 MET 63 HB2 -0.21 0.10 0.10 -0.04 2.15 2.09 2jk6A1 MET 63 HB3 -0.29 -0.03 -0.04 -0.04 2.03 1.64 2jk6A1 MET 63 HG2 -0.49 -0.01 -0.05 -0.04 2.63 2.05 2jk6A1 MET 63 HG3 -0.24 -0.02 -0.05 -0.04 2.56 2.22 2jk6A1 MET 63 HE3 -0.25 0.00 -0.12 -0.04 2.10 1.69 2jk6A1 VAL 64 H -0.15 0.45 -0.08 -0.55 8.24 7.91 2jk6A1 VAL 64 HA -0.06 0.06 0.46 -0.75 4.13 3.84 2jk6A1 VAL 64 HB -0.11 0.01 0.19 -0.04 2.12 2.16 2jk6A1 VAL 64 HG13 0.03 -0.01 -0.16 -0.04 0.97 0.79 2jk6A1 VAL 64 HG23 -0.11 0.04 0.04 -0.04 0.95 0.87 2jk6A1 THR 65 H -0.08 0.65 -0.12 -0.55 8.28 8.18 2jk6A1 THR 65 HA -0.10 -0.03 0.36 -0.75 4.39 3.86 2jk6A1 THR 65 HB -0.02 0.16 0.13 -0.04 4.32 4.56 2jk6A1 THR 65 HG23 -0.03 -0.02 -0.05 -0.04 1.22 1.07 2jk6A1 GLY 66 H 0.04 0.40 -0.33 -0.55 8.43 8.00 2jk6A1 GLY 66 HA2 0.39 -0.01 0.41 -0.51 4.01 4.29 2jk6A1 GLY 66 HA3 0.27 0.06 0.30 -0.51 4.01 4.13 2jk6A1 ALA 67 H 0.19 0.56 -0.08 -0.55 8.40 8.52 2jk6A1 ALA 67 HA 0.10 0.06 0.38 -0.75 4.34 4.13 2jk6A1 ALA 67 HB3 0.16 0.03 0.18 -0.04 1.41 1.74 2jk6A1 GLN 68 H 0.00 0.48 -0.39 -0.55 8.47 8.02 2jk6A1 GLN 68 HA -0.03 -0.00 0.42 -0.75 4.36 3.99 2jk6A1 GLN 68 HB2 -0.10 0.21 0.11 -0.04 2.15 2.34 2jk6A1 GLN 68 HB3 -0.29 0.06 0.01 -0.04 2.02 1.76 2jk6A1 GLN 68 HG2 -0.12 -0.07 0.02 -0.04 2.40 2.19 2jk6A1 GLN 68 HG3 -0.05 -0.02 0.06 -0.04 2.39 2.34 2jk6A1 GLN 68 HE21 -0.04 -0.09 -0.05 -0.04 6.97 6.76 2jk6A1 GLN 68 HE22 -0.16 0.09 -0.00 -0.04 7.69 7.58 2jk6A1 TYR 69 H 0.05 0.49 -0.37 -0.55 8.29 7.91 2jk6A1 TYR 69 HA -0.03 -0.05 0.42 -0.75 4.56 4.14 2jk6A1 TYR 69 HB2 -0.05 0.29 0.14 -0.04 3.06 3.40 2jk6A1 TYR 69 HB3 -0.05 -0.06 0.03 -0.04 2.98 2.85 2jk6A1 TYR 69 HD2 -0.03 0.05 0.10 -0.04 7.15 7.23 2jk6A1 TYR 69 HE2 -0.05 -0.05 -0.08 -0.04 6.85 6.63 2jk6A1 MET 70 H 0.03 0.43 -0.29 -0.55 8.47 8.10 2jk6A1 MET 70 HA 0.01 0.05 0.44 -0.75 4.52 4.26 2jk6A1 MET 70 HB2 -0.03 0.11 0.25 -0.04 2.15 2.43 2jk6A1 MET 70 HB3 0.01 0.00 0.18 -0.04 2.03 2.18 2jk6A1 MET 70 HG2 0.01 -0.10 -0.07 -0.04 2.63 2.43 2jk6A1 MET 70 HG3 -0.01 0.02 0.13 -0.04 2.56 2.66 2jk6A1 MET 70 HE3 0.02 -0.02 0.01 -0.04 2.10 2.07 2jk6A1 ASP 71 H 0.02 0.26 -0.12 -0.55 8.40 8.01 2jk6A1 ASP 71 HA 0.04 0.09 0.49 -0.75 4.63 4.50 2jk6A1 ASP 71 HB2 0.01 0.09 0.15 -0.04 2.71 2.91 2jk6A1 ASP 71 HB3 0.04 -0.06 0.04 -0.04 2.70 2.68 2jk6A1 LEU 72 H 0.00 0.41 -0.08 -0.55 8.37 8.16 2jk6A1 LEU 72 HA 0.02 -0.02 0.34 -0.75 4.35 3.93 2jk6A1 LEU 72 HB2 0.02 0.07 0.13 -0.04 1.64 1.81 2jk6A1 LEU 72 HB3 -0.02 -0.04 0.01 -0.04 1.64 1.55 2jk6A1 LEU 72 HG -0.10 0.18 0.04 -0.04 1.64 1.72 2jk6A1 LEU 72 HD13 -0.32 -0.02 -0.09 -0.04 0.93 0.46 2jk6A1 LEU 72 HD23 -0.05 -0.03 -0.02 -0.04 0.89 0.75 2jk6A1 ILE 73 H 0.05 0.70 -0.21 -0.55 8.25 8.24 2jk6A1 ILE 73 HA 0.00 0.00 0.52 -0.75 4.18 3.95 2jk6A1 ILE 73 HB 0.03 0.17 0.15 -0.04 1.89 2.20 2jk6A1 ILE 73 HG12 -0.01 -0.07 -0.01 -0.04 1.49 1.36 2jk6A1 ILE 73 HG13 0.06 -0.04 0.01 -0.04 1.21 1.20 2jk6A1 ILE 73 HG23 0.02 -0.01 -0.14 -0.04 0.93 0.76 2jk6A1 ILE 73 HD13 -0.01 -0.01 -0.10 -0.04 0.88 0.72 2jk6A1 ARG 74 H 0.05 0.47 -0.04 -0.55 8.46 8.39 2jk6A1 ARG 74 HA 0.06 0.01 0.53 -0.75 4.34 4.19 2jk6A1 ARG 74 HB2 0.04 0.03 0.18 -0.04 1.90 2.11 2jk6A1 ARG 74 HB3 0.06 0.11 0.26 -0.04 1.80 2.19 2jk6A1 ARG 74 HG2 0.07 0.03 -0.20 -0.04 1.67 1.52 2jk6A1 ARG 74 HG3 0.05 -0.06 0.07 -0.04 1.67 1.69 2jk6A1 ARG 74 HD2 0.05 -0.04 -0.01 -0.04 3.22 3.18 2jk6A1 ARG 74 HD3 0.04 0.01 0.03 -0.04 3.22 3.25 2jk6A1 GLU 75 H 0.08 0.54 -0.16 -0.55 8.60 8.52 2jk6A1 GLU 75 HA 0.15 0.22 0.45 -0.75 4.29 4.36 2jk6A1 GLU 75 HB2 0.10 0.08 0.10 -0.04 2.09 2.32 2jk6A1 GLU 75 HB3 0.20 -0.12 0.02 -0.04 1.99 2.05 2jk6A1 GLU 75 HG2 0.18 -0.15 -0.00 -0.04 2.34 2.33 2jk6A1 GLU 75 HG3 0.11 0.10 0.03 -0.04 2.34 2.53 2jk6A1 SER 76 H 0.11 0.38 -0.37 -0.55 8.46 8.02 2jk6A1 SER 76 HA 0.30 -0.01 0.44 -0.75 4.49 4.46 2jk6A1 SER 76 HB2 -0.07 -0.12 0.08 -0.04 3.95 3.80 2jk6A1 SER 76 HB3 -0.10 0.07 0.14 -0.04 3.93 3.99 2jk6A1 GLY 77 H 0.18 0.39 -0.27 -0.55 8.43 8.18 2jk6A1 GLY 77 HA2 0.19 0.21 0.36 -0.51 4.01 4.26 2jk6A1 GLY 77 HA3 0.13 0.10 0.33 -0.51 4.01 4.06 2jk6A1 GLY 78 H 0.13 0.31 -0.16 -0.55 8.43 8.17 2jk6A1 GLY 78 HA2 -0.02 -0.00 0.39 -0.51 4.01 3.86 2jk6A1 GLY 78 HA3 -0.08 0.32 0.27 -0.51 4.01 4.01 2jk6A1 PHE 79 H 0.37 0.36 -0.51 -0.55 8.34 8.01 2jk6A1 PHE 79 HA 0.06 0.10 0.69 -0.75 4.62 4.72 2jk6A1 PHE 79 HB2 0.35 0.13 0.11 -0.04 3.15 3.70 2jk6A1 PHE 79 HB3 0.21 -0.07 0.13 -0.04 3.06 3.30 2jk6A1 PHE 79 HD2 0.10 0.12 0.03 -0.04 7.28 7.48 2jk6A1 PHE 79 HE2 0.03 -0.03 -0.01 -0.04 7.38 7.32 2jk6A1 PHE 79 HZ -0.01 -0.10 0.06 -0.04 7.32 7.23 2jk6A1 GLY 80 H 0.14 0.50 -0.21 -0.55 8.43 8.31 2jk6A1 GLY 80 HA2 -0.04 0.01 0.24 -0.51 4.01 3.70 2jk6A1 GLY 80 HA3 -0.15 0.12 0.79 -0.51 4.01 4.25 2jk6A1 TRP 81 H 0.33 0.38 -0.02 -0.55 7.97 8.11 2jk6A1 TRP 81 HA 0.04 0.06 0.59 -0.75 4.62 4.56 2jk6A1 TRP 81 HB2 0.07 -0.02 -0.13 -0.04 3.23 3.11 2jk6A1 TRP 81 HB3 0.04 -0.00 -0.07 -0.04 3.23 3.15 2jk6A1 TRP 81 HD1 0.13 0.14 -0.03 -0.04 7.22 7.42 2jk6A1 TRP 81 HE1 0.01 -0.02 -0.05 -0.04 10.20 10.10 2jk6A1 TRP 81 HE3 0.02 0.03 -0.04 -0.04 7.59 7.56 2jk6A1 TRP 81 HZ2 -0.00 -0.02 -0.03 -0.04 7.44 7.34 2jk6A1 TRP 81 HZ3 0.01 -0.02 -0.02 -0.04 7.13 7.06 2jk6A1 TRP 81 HH2 0.00 -0.03 -0.02 -0.04 7.19 7.10 2jk6A1 GLU 82 H 0.07 0.23 0.21 -0.55 8.60 8.57 2jk6A1 GLU 82 HA 0.10 0.11 0.69 -0.75 4.29 4.43 2jk6A1 GLU 82 HB2 0.02 -0.01 0.15 -0.04 2.09 2.22 2jk6A1 GLU 82 HB3 0.04 -0.04 -0.01 -0.04 1.99 1.94 2jk6A1 GLU 82 HG2 0.02 -0.03 -0.02 -0.04 2.34 2.27 2jk6A1 GLU 82 HG3 0.03 0.03 -0.24 -0.04 2.34 2.12 2jk6A1 MET 83 H 0.08 0.32 0.22 -0.55 8.47 8.54 2jk6A1 MET 83 HA 0.06 0.03 0.34 -0.75 4.52 4.20 2jk6A1 MET 83 HB2 0.06 -0.05 0.06 -0.04 2.15 2.18 2jk6A1 MET 83 HB3 0.10 0.16 -0.03 -0.04 2.03 2.22 2jk6A1 MET 83 HG2 0.09 0.00 -0.19 -0.04 2.63 2.49 2jk6A1 MET 83 HG3 0.05 0.05 -0.33 -0.04 2.56 2.29 2jk6A1 MET 83 HE3 0.22 0.01 -0.35 -0.04 2.10 1.95 2jk6A1 ASP 84 H 0.04 0.14 0.09 -0.55 8.40 8.12 2jk6A1 ASP 84 HA 0.03 -0.03 0.45 -0.75 4.63 4.33 2jk6A1 ASP 84 HB2 0.02 -0.03 0.14 -0.04 2.71 2.80 2jk6A1 ASP 84 HB3 0.02 0.05 0.16 -0.04 2.70 2.89 2jk6A1 ARG 85 H 0.03 0.08 0.33 -0.55 8.46 8.34 2jk6A1 ARG 85 HA 0.03 0.18 0.64 -0.75 4.34 4.43 2jk6A1 ARG 85 HB2 0.03 -0.03 0.19 -0.04 1.90 2.05 2jk6A1 ARG 85 HB3 0.03 -0.01 -0.00 -0.04 1.80 1.77 2jk6A1 ARG 85 HG2 0.04 -0.00 -0.04 -0.04 1.67 1.63 2jk6A1 ARG 85 HG3 0.05 0.04 -0.14 -0.04 1.67 1.57 2jk6A1 ARG 85 HD2 0.05 -0.04 0.09 -0.04 3.22 3.28 2jk6A1 ARG 85 HD3 0.05 -0.02 0.06 -0.04 3.22 3.27 2jk6A1 GLU 86 H 0.02 -0.01 0.09 -0.55 8.60 8.15 2jk6A1 GLU 86 HA 0.02 0.04 0.47 -0.75 4.29 4.06 2jk6A1 GLU 86 HB2 0.02 -0.04 0.15 -0.04 2.09 2.18 2jk6A1 GLU 86 HB3 0.01 0.03 0.01 -0.04 1.99 2.00 2jk6A1 GLU 86 HG2 0.02 0.03 0.07 -0.04 2.34 2.42 2jk6A1 GLU 86 HG3 0.02 -0.02 0.07 -0.04 2.34 2.37 2jk6A1 SER 87 H 0.02 0.10 0.22 -0.55 8.46 8.25 2jk6A1 SER 87 HA 0.02 -0.01 0.33 -0.75 4.49 4.08 2jk6A1 SER 87 HB2 0.01 -0.08 -0.10 -0.04 3.95 3.74 2jk6A1 SER 87 HB3 0.01 0.14 0.24 -0.04 3.93 4.28 2jk6A1 LEU 88 H 0.01 0.22 0.04 -0.55 8.37 8.11 2jk6A1 LEU 88 HA 0.01 0.10 0.90 -0.75 4.35 4.60 2jk6A1 LEU 88 HB2 0.01 0.10 -0.06 -0.04 1.64 1.65 2jk6A1 LEU 88 HB3 0.01 -0.00 0.17 -0.04 1.64 1.77 2jk6A1 LEU 88 HG -0.01 -0.02 -0.16 -0.04 1.64 1.41 2jk6A1 LEU 88 HD13 0.01 0.04 0.01 -0.04 0.93 0.95 2jk6A1 LEU 88 HD23 0.00 -0.01 -0.05 -0.04 0.89 0.79 2jk6A1 CYS 89 H 0.01 0.21 0.15 -0.55 8.50 8.32 2jk6A1 CYS 89 HA -0.01 0.31 0.88 -0.75 4.58 5.00 2jk6A1 CYS 89 HB2 0.03 -0.12 0.03 -0.04 2.97 2.86 2jk6A1 CYS 89 HB3 0.03 0.16 0.01 -0.04 2.97 3.13 2jk6A1 PRO 90 HA -0.01 0.05 0.57 -0.51 4.44 4.54 2jk6A1 PRO 90 HB2 -0.21 -0.05 -0.10 -0.04 2.28 1.87 2jk6A1 PRO 90 HB3 -0.27 0.03 0.04 -0.04 2.02 1.78 2jk6A1 PRO 90 HG2 -0.27 -0.05 0.04 -0.04 2.03 1.71 2jk6A1 PRO 90 HG3 -0.65 0.26 0.08 -0.04 2.03 1.69 2jk6A1 PRO 90 HD2 -0.03 0.22 0.17 -0.04 3.68 4.00 2jk6A1 PRO 90 HD3 -0.11 0.21 0.22 -0.04 3.65 3.93 2jk6A1 ASN 91 H 0.10 0.14 0.14 -0.55 8.53 8.36 2jk6A1 ASN 91 HA 0.17 0.16 0.77 -0.75 4.76 5.11 2jk6A1 ASN 91 HB2 0.07 0.12 0.14 -0.04 2.88 3.18 2jk6A1 ASN 91 HB3 0.08 -0.04 0.23 -0.04 2.79 3.02 2jk6A1 ASN 91 HD21 0.06 0.03 0.03 -0.04 7.03 7.11 2jk6A1 ASN 91 HD22 0.05 0.07 0.05 -0.04 7.74 7.87 2jk6A1 TRP 92 H 0.42 0.34 0.19 -0.55 7.97 8.37 2jk6A1 TRP 92 HA 0.08 0.10 0.39 -0.75 4.62 4.44 2jk6A1 TRP 92 HB2 0.17 0.20 0.13 -0.04 3.23 3.70 2jk6A1 TRP 92 HB3 0.09 -0.07 0.18 -0.04 3.23 3.39 2jk6A1 TRP 92 HD1 0.05 0.14 -0.34 -0.04 7.22 7.02 2jk6A1 TRP 92 HE1 0.06 0.66 -0.28 -0.04 10.20 10.59 2jk6A1 TRP 92 HE3 -0.08 0.06 -0.03 -0.04 7.59 7.50 2jk6A1 TRP 92 HZ2 0.05 0.12 -0.05 -0.04 7.44 7.52 2jk6A1 TRP 92 HZ3 -0.29 0.00 -0.14 -0.04 7.13 6.67 2jk6A1 TRP 92 HH2 -0.19 -0.04 -0.09 -0.04 7.19 6.83 2jk6A1 LYS 93 H 0.24 0.09 -0.11 -0.55 8.42 8.09 2jk6A1 LYS 93 HA 0.05 0.19 0.41 -0.75 4.32 4.21 2jk6A1 LYS 93 HB2 0.12 -0.05 0.11 -0.04 1.87 2.01 2jk6A1 LYS 93 HB3 0.08 0.02 0.00 -0.04 1.79 1.84 2jk6A1 LYS 93 HG2 0.17 0.07 0.10 -0.04 1.46 1.77 2jk6A1 LYS 93 HG3 0.28 0.03 0.12 -0.04 1.46 1.86 2jk6A1 LYS 93 HD2 0.12 -0.05 0.06 -0.04 1.69 1.77 2jk6A1 LYS 93 HD3 0.10 -0.02 0.03 -0.04 1.68 1.75 2jk6A1 LYS 93 HE2 0.11 -0.00 0.02 -0.04 2.99 3.08 2jk6A1 LYS 93 HE3 0.15 0.11 0.04 -0.04 2.99 3.25 2jk6A1 THR 94 H 0.04 0.14 -0.22 -0.55 8.28 7.69 2jk6A1 THR 94 HA -0.02 0.09 0.55 -0.75 4.39 4.26 2jk6A1 THR 94 HB -0.01 0.01 0.09 -0.04 4.32 4.37 2jk6A1 THR 94 HG23 0.02 -0.00 0.03 -0.04 1.22 1.22 2jk6A1 LEU 95 H -0.12 0.32 -0.30 -0.55 8.37 7.73 2jk6A1 LEU 95 HA -0.16 0.05 0.54 -0.75 4.35 4.02 2jk6A1 LEU 95 HB2 -0.19 0.02 0.08 -0.04 1.64 1.51 2jk6A1 LEU 95 HB3 -0.60 0.20 0.19 -0.04 1.64 1.38 2jk6A1 LEU 95 HG -0.56 -0.03 -0.31 -0.04 1.64 0.69 2jk6A1 LEU 95 HD13 -0.20 -0.02 -0.02 -0.04 0.93 0.65 2jk6A1 LEU 95 HD23 -1.44 0.01 -0.03 -0.04 0.89 -0.61 2jk6A1 ILE 96 H -0.49 0.57 0.01 -0.55 8.25 7.79 2jk6A1 ILE 96 HA -0.35 0.02 0.43 -0.75 4.18 3.53 2jk6A1 ILE 96 HB -0.22 0.05 0.12 -0.04 1.89 1.81 2jk6A1 ILE 96 HG12 -1.42 0.10 0.07 -0.04 1.49 0.19 2jk6A1 ILE 96 HG13 -0.45 0.15 -0.08 -0.04 1.21 0.79 2jk6A1 ILE 96 HG23 -0.04 0.02 -0.06 -0.04 0.93 0.81 2jk6A1 ILE 96 HD13 -0.61 0.03 -0.04 -0.04 0.88 0.22 2jk6A1 ALA 97 H -0.11 0.45 -0.26 -0.55 8.40 7.92 2jk6A1 ALA 97 HA -0.02 0.02 0.47 -0.75 4.34 4.06 2jk6A1 ALA 97 HB3 -0.02 0.03 0.11 -0.04 1.41 1.48 2jk6A1 ALA 98 H -0.09 0.55 -0.16 -0.55 8.40 8.16 2jk6A1 ALA 98 HA -0.06 -0.02 0.44 -0.75 4.34 3.95 2jk6A1 ALA 98 HB3 -0.08 0.03 0.16 -0.04 1.41 1.48 2jk6A1 LYS 99 H -0.15 0.71 -0.12 -0.55 8.42 8.31 2jk6A1 LYS 99 HA -0.14 -0.04 0.46 -0.75 4.32 3.85 2jk6A1 LYS 99 HB2 -0.19 -0.04 0.09 -0.04 1.87 1.68 2jk6A1 LYS 99 HB3 -0.21 0.14 0.21 -0.04 1.79 1.89 2jk6A1 LYS 99 HG2 -0.23 0.01 -0.43 -0.04 1.46 0.78 2jk6A1 LYS 99 HG3 -0.22 -0.12 0.01 -0.04 1.46 1.10 2jk6A1 LYS 99 HD2 -0.10 -0.07 -0.00 -0.04 1.69 1.48 2jk6A1 LYS 99 HD3 -0.21 0.08 0.07 -0.04 1.68 1.57 2jk6A1 LYS 99 HE2 -0.37 -0.06 -0.01 -0.04 2.99 2.51 2jk6A1 LYS 99 HE3 -0.22 -0.07 0.05 -0.04 2.99 2.71 2jk6A1 ASN 100 H -0.08 0.74 -0.03 -0.55 8.53 8.61 2jk6A1 ASN 100 HA -0.10 -0.04 0.40 -0.75 4.76 4.26 2jk6A1 ASN 100 HB2 0.05 0.11 0.19 -0.04 2.88 3.18 2jk6A1 ASN 100 HB3 0.20 -0.08 0.03 -0.04 2.79 2.90 2jk6A1 ASN 100 HD21 0.11 -0.03 -0.06 -0.04 7.03 7.01 2jk6A1 ASN 100 HD22 0.07 -0.08 -0.06 -0.04 7.74 7.63 2jk6A1 LYS 101 H -0.02 0.61 -0.19 -0.55 8.42 8.27 2jk6A1 LYS 101 HA 0.01 -0.02 0.40 -0.75 4.32 3.97 2jk6A1 LYS 101 HB2 -0.02 0.18 0.16 -0.04 1.87 2.14 2jk6A1 LYS 101 HB3 -0.04 0.07 0.09 -0.04 1.79 1.87 2jk6A1 LYS 101 HG2 -0.01 -0.05 0.04 -0.04 1.46 1.39 2jk6A1 LYS 101 HG3 -0.01 -0.02 0.04 -0.04 1.46 1.43 2jk6A1 LYS 101 HD2 -0.02 0.01 -0.00 -0.04 1.69 1.63 2jk6A1 LYS 101 HD3 -0.03 -0.00 -0.02 -0.04 1.68 1.59 2jk6A1 LYS 101 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2jk6A1 LYS 101 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.93 2jk6A1 VAL 102 H -0.07 0.47 -0.17 -0.55 8.24 7.92 2jk6A1 VAL 102 HA -0.06 0.01 0.42 -0.75 4.13 3.74 2jk6A1 VAL 102 HB -0.11 0.14 0.23 -0.04 2.12 2.34 2jk6A1 VAL 102 HG13 -0.09 -0.03 -0.09 -0.04 0.97 0.71 2jk6A1 VAL 102 HG23 -0.07 0.04 0.06 -0.04 0.95 0.94 2jk6A1 VAL 103 H -0.17 0.72 0.11 -0.55 8.24 8.35 2jk6A1 VAL 103 HA -0.14 -0.00 0.41 -0.75 4.13 3.64 2jk6A1 VAL 103 HB -0.67 0.06 0.17 -0.04 2.12 1.64 2jk6A1 VAL 103 HG13 -0.29 0.01 -0.02 -0.04 0.97 0.63 2jk6A1 VAL 103 HG23 -0.30 0.07 0.10 -0.04 0.95 0.78 2jk6A1 ASN 104 H -0.01 0.73 -0.10 -0.55 8.53 8.60 2jk6A1 ASN 104 HA 0.16 -0.07 0.50 -0.75 4.76 4.59 2jk6A1 ASN 104 HB2 0.17 -0.08 0.13 -0.04 2.88 3.05 2jk6A1 ASN 104 HB3 0.29 0.23 0.17 -0.04 2.79 3.44 2jk6A1 ASN 104 HD21 0.03 -0.07 -0.01 -0.04 7.03 6.94 2jk6A1 ASN 104 HD22 0.07 0.18 0.05 -0.04 7.74 8.00 2jk6A1 SER 105 H -0.01 0.46 -0.26 -0.55 8.46 8.10 2jk6A1 SER 105 HA -0.02 -0.01 0.58 -0.75 4.49 4.29 2jk6A1 SER 105 HB2 -0.03 -0.04 0.15 -0.04 3.95 3.99 2jk6A1 SER 105 HB3 -0.04 0.21 0.32 -0.04 3.93 4.38 2jk6A1 ILE 106 H -0.05 0.50 -0.13 -0.55 8.25 8.03 2jk6A1 ILE 106 HA -0.15 0.03 0.57 -0.75 4.18 3.88 2jk6A1 ILE 106 HB -0.03 0.18 0.18 -0.04 1.89 2.18 2jk6A1 ILE 106 HG12 -0.11 -0.05 0.02 -0.04 1.49 1.31 2jk6A1 ILE 106 HG13 -0.08 0.23 0.08 -0.04 1.21 1.39 2jk6A1 ILE 106 HG23 -0.09 -0.03 -0.06 -0.04 0.93 0.71 2jk6A1 ILE 106 HD13 -0.08 -0.03 -0.01 -0.04 0.88 0.73 2jk6A1 ASN 107 H 0.04 0.50 0.03 -0.55 8.53 8.55 2jk6A1 ASN 107 HA 0.19 0.05 0.51 -0.75 4.76 4.76 2jk6A1 ASN 107 HB2 0.08 0.16 0.27 -0.04 2.88 3.35 2jk6A1 ASN 107 HB3 0.06 0.11 0.18 -0.04 2.79 3.09 2jk6A1 ASN 107 HD21 0.10 -0.13 -0.05 -0.04 7.03 6.90 2jk6A1 ASN 107 HD22 0.13 0.09 0.09 -0.04 7.74 8.02 2jk6A1 GLU 108 H 0.01 0.50 -0.25 -0.55 8.60 8.32 2jk6A1 GLU 108 HA 0.02 0.01 0.49 -0.75 4.29 4.05 2jk6A1 GLU 108 HB2 -0.01 0.14 0.16 -0.04 2.09 2.35 2jk6A1 GLU 108 HB3 -0.00 -0.05 0.04 -0.04 1.99 1.93 2jk6A1 GLU 108 HG2 0.02 0.23 0.08 -0.04 2.34 2.62 2jk6A1 GLU 108 HG3 0.01 -0.03 0.03 -0.04 2.34 2.30 2jk6A1 SER 109 H -0.08 0.40 -0.19 -0.55 8.46 8.05 2jk6A1 SER 109 HA -0.07 0.04 0.53 -0.75 4.49 4.24 2jk6A1 SER 109 HB2 -0.20 -0.05 0.08 -0.04 3.95 3.74 2jk6A1 SER 109 HB3 -0.13 0.03 0.13 -0.04 3.93 3.92 2jk6A1 TYR 110 H -0.01 0.39 -0.40 -0.55 8.29 7.72 2jk6A1 TYR 110 HA -0.00 0.05 0.61 -0.75 4.56 4.46 2jk6A1 TYR 110 HB2 -0.02 0.29 0.16 -0.04 3.06 3.45 2jk6A1 TYR 110 HB3 0.08 -0.09 -0.03 -0.04 2.98 2.90 2jk6A1 TYR 110 HD2 -0.04 0.05 -0.06 -0.04 7.15 7.05 2jk6A1 TYR 110 HE2 -0.09 -0.04 -0.06 -0.04 6.85 6.62 2jk6A1 LYS 111 H 0.10 0.36 -0.07 -0.55 8.42 8.25 2jk6A1 LYS 111 HA 0.11 0.02 0.48 -0.75 4.32 4.18 2jk6A1 LYS 111 HB2 0.04 0.16 0.23 -0.04 1.87 2.26 2jk6A1 LYS 111 HB3 0.05 -0.01 0.02 -0.04 1.79 1.80 2jk6A1 LYS 111 HG2 -0.03 -0.05 0.07 -0.04 1.46 1.41 2jk6A1 LYS 111 HG3 -0.01 0.12 0.09 -0.04 1.46 1.63 2jk6A1 LYS 111 HD2 0.01 0.02 0.04 -0.04 1.69 1.72 2jk6A1 LYS 111 HD3 0.01 -0.01 0.02 -0.04 1.68 1.65 2jk6A1 LYS 111 HE2 -0.01 -0.06 -0.02 -0.04 2.99 2.86 2jk6A1 LYS 111 HE3 -0.01 0.06 -0.08 -0.04 2.99 2.92 2jk6A1 SER 112 H 0.06 0.40 -0.14 -0.55 8.46 8.23 2jk6A1 SER 112 HA 0.08 0.05 0.47 -0.75 4.49 4.34 2jk6A1 SER 112 HB2 0.03 0.00 0.07 -0.04 3.95 4.00 2jk6A1 SER 112 HB3 0.03 -0.01 0.08 -0.04 3.93 3.98 2jk6A1 MET 113 H 0.10 0.19 -0.58 -0.55 8.47 7.63 2jk6A1 MET 113 HA 0.08 0.06 0.62 -0.75 4.52 4.53 2jk6A1 MET 113 HB2 -0.02 0.13 0.16 -0.04 2.15 2.38 2jk6A1 MET 113 HB3 0.11 0.13 0.20 -0.04 2.03 2.43 2jk6A1 MET 113 HG2 0.13 0.00 -0.15 -0.04 2.63 2.57 2jk6A1 MET 113 HG3 -0.07 -0.02 0.01 -0.04 2.56 2.44 2jk6A1 MET 113 HE3 -0.44 0.00 -0.13 -0.04 2.10 1.48 2jk6A1 PHE 114 H 0.31 0.49 -0.03 -0.55 8.34 8.56 2jk6A1 PHE 114 HA 0.13 0.06 0.44 -0.75 4.62 4.50 2jk6A1 PHE 114 HB2 0.06 0.12 0.22 -0.04 3.15 3.51 2jk6A1 PHE 114 HB3 0.09 -0.01 0.00 -0.04 3.06 3.10 2jk6A1 PHE 114 HD2 0.07 0.23 -0.20 -0.04 7.28 7.33 2jk6A1 PHE 114 HE2 0.00 -0.02 -0.25 -0.04 7.38 7.08 2jk6A1 PHE 114 HZ 0.08 -0.10 -0.14 -0.04 7.32 7.11 2jk6A1 ALA 115 H 0.19 0.36 -0.12 -0.55 8.40 8.28 2jk6A1 ALA 115 HA 0.12 0.04 0.41 -0.75 4.34 4.15 2jk6A1 ALA 115 HB3 0.08 -0.01 0.08 -0.04 1.41 1.51 2jk6A1 ASP 116 H 0.10 0.23 -0.49 -0.55 8.40 7.69 2jk6A1 ASP 116 HA 0.05 0.07 0.58 -0.75 4.63 4.58 2jk6A1 ASP 116 HB2 0.09 0.06 0.12 -0.04 2.71 2.94 2jk6A1 ASP 116 HB3 0.06 -0.09 0.07 -0.04 2.70 2.69 2jk6A1 THR 117 H 0.09 0.40 -0.10 -0.55 8.28 8.12 2jk6A1 THR 117 HA -0.02 0.00 0.65 -0.75 4.39 4.27 2jk6A1 THR 117 HB 0.01 0.01 0.13 -0.04 4.32 4.42 2jk6A1 THR 117 HG23 -0.22 -0.01 -0.11 -0.04 1.22 0.84 2jk6A1 GLU 118 H -0.04 0.13 0.21 -0.55 8.60 8.35 2jk6A1 GLU 118 HA 0.02 0.11 0.70 -0.75 4.29 4.37 2jk6A1 GLU 118 HB2 -0.04 0.00 0.17 -0.04 2.09 2.18 2jk6A1 GLU 118 HB3 -0.01 -0.01 0.02 -0.04 1.99 1.95 2jk6A1 GLU 118 HG2 0.01 0.01 0.02 -0.04 2.34 2.33 2jk6A1 GLU 118 HG3 -0.00 0.10 0.03 -0.04 2.34 2.43 2jk6A1 GLY 119 H 0.04 0.16 0.14 -0.55 8.43 8.23 2jk6A1 GLY 119 HA2 0.06 -0.05 0.36 -0.51 4.01 3.87 2jk6A1 GLY 119 HA3 0.00 0.28 0.63 -0.51 4.01 4.42 2jk6A1 LEU 120 H 0.06 0.28 -0.49 -0.55 8.37 7.67 2jk6A1 LEU 120 HA 0.15 0.23 0.96 -0.75 4.35 4.94 2jk6A1 LEU 120 HB2 -0.03 0.01 -0.15 -0.04 1.64 1.43 2jk6A1 LEU 120 HB3 0.01 0.11 -0.00 -0.04 1.64 1.72 2jk6A1 LEU 120 HG -0.04 -0.04 -0.27 -0.04 1.64 1.25 2jk6A1 LEU 120 HD13 0.10 0.03 -0.21 -0.04 0.93 0.80 2jk6A1 LEU 120 HD23 -0.20 -0.01 -0.16 -0.04 0.89 0.47 2jk6A1 SER 121 H 0.29 0.48 0.29 -0.55 8.46 8.98 2jk6A1 SER 121 HA 0.30 0.20 0.88 -0.75 4.49 5.11 2jk6A1 SER 121 HB2 -0.05 0.01 0.02 -0.04 3.95 3.88 2jk6A1 SER 121 HB3 0.17 0.06 -0.15 -0.04 3.93 3.97 2jk6A1 PHE 122 H -0.13 0.22 0.16 -0.55 8.34 8.04 2jk6A1 PHE 122 HA -0.27 0.24 0.97 -0.75 4.62 4.82 2jk6A1 PHE 122 HB2 -1.95 -0.01 -0.01 -0.04 3.15 1.14 2jk6A1 PHE 122 HB3 -0.72 0.02 0.12 -0.04 3.06 2.44 2jk6A1 PHE 122 HD2 -0.28 0.04 -0.08 -0.04 7.28 6.92 2jk6A1 PHE 122 HE2 -0.13 -0.11 -0.14 -0.04 7.38 6.96 2jk6A1 PHE 122 HZ -0.12 0.02 -0.36 -0.04 7.32 6.82 2jk6A1 HIS 123 H -0.48 0.69 0.28 -0.55 8.41 8.35 2jk6A1 HIS 123 HA -0.44 0.16 0.87 -0.75 4.63 4.47 2jk6A1 HIS 123 HB2 -0.25 -0.07 -0.06 -0.04 3.26 2.84 2jk6A1 HIS 123 HB3 -0.21 0.03 -0.14 -0.04 3.20 2.84 2jk6A1 HIS 123 HD2 -0.15 -0.02 -0.26 -0.04 6.97 6.50 2jk6A1 HIS 123 HE1 0.12 0.03 -0.14 -0.04 7.75 7.71 2jk6A1 MET 124 H -0.53 0.17 0.05 -0.55 8.47 7.61 2jk6A1 MET 124 HA -0.49 0.23 0.50 -0.75 4.52 4.00 2jk6A1 MET 124 HB2 -0.27 -0.07 -0.03 -0.04 2.15 1.75 2jk6A1 MET 124 HB3 -0.16 -0.00 0.09 -0.04 2.03 1.92 2jk6A1 MET 124 HG2 -0.06 0.12 -0.20 -0.04 2.63 2.45 2jk6A1 MET 124 HG3 0.05 -0.03 -0.28 -0.04 2.56 2.26 2jk6A1 MET 124 HE3 0.01 0.04 0.10 -0.04 2.10 2.21 2jk6A1 GLY 125 H -0.19 0.50 0.24 -0.55 8.43 8.43 2jk6A1 GLY 125 HA2 -0.05 0.07 0.29 -0.51 4.01 3.81 2jk6A1 GLY 125 HA3 -0.04 0.19 0.57 -0.51 4.01 4.22 2jk6A1 PHE 126 H 0.24 0.63 0.05 -0.55 8.34 8.71 2jk6A1 PHE 126 HA -0.04 -0.01 0.70 -0.75 4.62 4.52 2jk6A1 PHE 126 HB2 -0.05 0.14 -0.23 -0.04 3.15 2.97 2jk6A1 PHE 126 HB3 -0.06 0.10 -0.16 -0.04 3.06 2.91 2jk6A1 PHE 126 HD2 -0.06 0.14 -0.16 -0.04 7.28 7.16 2jk6A1 PHE 126 HE2 -0.09 0.04 -0.00 -0.04 7.38 7.29 2jk6A1 PHE 126 HZ -0.06 0.02 -0.01 -0.04 7.32 7.22 2jk6A1 GLY 127 H -0.00 0.05 0.09 -0.55 8.43 8.03 2jk6A1 GLY 127 HA2 0.00 0.30 0.69 -0.51 4.01 4.49 2jk6A1 GLY 127 HA3 -0.01 -0.08 0.22 -0.51 4.01 3.63 2jk6A1 ALA 128 H 0.00 0.46 0.30 -0.55 8.40 8.62 2jk6A1 ALA 128 HA 0.00 0.06 0.55 -0.75 4.34 4.20 2jk6A1 ALA 128 HB3 -0.00 0.04 -0.09 -0.04 1.41 1.32 2jk6A1 LEU 129 H -0.00 0.54 0.23 -0.55 8.37 8.59 2jk6A1 LEU 129 HA 0.00 0.14 0.81 -0.75 4.35 4.56 2jk6A1 LEU 129 HB2 0.00 0.13 0.06 -0.04 1.64 1.80 2jk6A1 LEU 129 HB3 0.00 -0.01 0.00 -0.04 1.64 1.59 2jk6A1 LEU 129 HG 0.00 0.01 -0.04 -0.04 1.64 1.57 2jk6A1 LEU 129 HD13 0.00 -0.02 -0.10 -0.04 0.93 0.77 2jk6A1 LEU 129 HD23 0.00 0.01 -0.14 -0.04 0.89 0.72 2jk6A1 GLN 130 H 0.01 0.45 0.38 -0.55 8.47 8.77 2jk6A1 GLN 130 HA 0.01 0.17 0.85 -0.75 4.36 4.63 2jk6A1 GLN 130 HB2 0.02 -0.04 0.12 -0.04 2.15 2.21 2jk6A1 GLN 130 HB3 0.02 -0.01 -0.00 -0.04 2.02 1.98 2jk6A1 GLN 130 HG2 0.01 -0.01 -0.29 -0.04 2.40 2.06 2jk6A1 GLN 130 HG3 0.01 -0.04 -0.13 -0.04 2.39 2.20 2jk6A1 GLN 130 HE21 0.01 -0.00 -0.01 -0.04 6.97 6.93 2jk6A1 GLN 130 HE22 0.01 -0.03 -0.04 -0.04 7.69 7.60 2jk6A1 ASP 131 H 0.03 0.23 0.35 -0.55 8.40 8.45 2jk6A1 ASP 131 HA 0.02 0.25 0.45 -0.75 4.63 4.60 2jk6A1 ASP 131 HB2 0.06 -0.07 0.19 -0.04 2.71 2.85 2jk6A1 ASP 131 HB3 0.03 0.20 0.04 -0.04 2.70 2.93 2jk6A1 ALA 132 H 0.04 0.23 0.16 -0.55 8.40 8.28 2jk6A1 ALA 132 HA -0.06 0.06 0.29 -0.75 4.34 3.88 2jk6A1 ALA 132 HB3 -0.05 0.02 0.13 -0.04 1.41 1.46 2jk6A1 HIS 133 H 0.10 -0.12 -0.68 -0.55 8.41 7.17 2jk6A1 HIS 133 HA 0.02 0.35 0.86 -0.75 4.63 5.10 2jk6A1 HIS 133 HB2 0.00 -0.11 -0.02 -0.04 3.26 3.09 2jk6A1 HIS 133 HB3 0.00 0.06 0.17 -0.04 3.20 3.40 2jk6A1 HIS 133 HD2 -0.01 -0.14 -0.13 -0.04 6.97 6.65 2jk6A1 HIS 133 HE1 -0.10 -0.01 0.07 -0.04 7.75 7.67 2jk6A1 THR 134 H 0.05 0.33 0.02 -0.55 8.28 8.13 2jk6A1 THR 134 HA 0.06 0.41 1.10 -0.75 4.39 5.21 2jk6A1 THR 134 HB 0.04 -0.19 0.10 -0.04 4.32 4.23 2jk6A1 THR 134 HG23 0.03 0.01 -0.26 -0.04 1.22 0.95 2jk6A1 VAL 135 H 0.02 0.62 0.24 -0.55 8.24 8.57 2jk6A1 VAL 135 HA 0.00 0.23 1.03 -0.75 4.13 4.63 2jk6A1 VAL 135 HB -0.04 -0.01 0.06 -0.04 2.12 2.09 2jk6A1 VAL 135 HG13 -0.04 -0.01 -0.26 -0.04 0.97 0.63 2jk6A1 VAL 135 HG23 0.00 0.00 -0.21 -0.04 0.95 0.70 2jk6A1 VAL 136 H -0.00 0.65 0.25 -0.55 8.24 8.60 2jk6A1 VAL 136 HA -0.01 0.17 0.98 -0.75 4.13 4.52 2jk6A1 VAL 136 HB 0.00 0.05 0.01 -0.04 2.12 2.15 2jk6A1 VAL 136 HG13 0.01 0.00 -0.26 -0.04 0.97 0.67 2jk6A1 VAL 136 HG23 0.01 -0.02 -0.14 -0.04 0.95 0.76 2jk6A1 VAL 137 H -0.01 0.63 0.24 -0.55 8.24 8.55 2jk6A1 VAL 137 HA -0.00 0.20 0.65 -0.75 4.13 4.22 2jk6A1 VAL 137 HB -0.02 -0.12 0.07 -0.04 2.12 2.01 2jk6A1 VAL 137 HG13 -0.05 0.01 -0.49 -0.04 0.97 0.40 2jk6A1 VAL 137 HG23 -0.08 -0.00 -0.27 -0.04 0.95 0.55 2jk6A1 ARG 138 H 0.05 0.95 0.24 -0.55 8.46 9.14 2jk6A1 ARG 138 HA 0.02 0.12 0.84 -0.75 4.34 4.57 2jk6A1 ARG 138 HB2 0.04 0.14 0.01 -0.04 1.90 2.04 2jk6A1 ARG 138 HB3 0.01 -0.12 -0.03 -0.04 1.80 1.61 2jk6A1 ARG 138 HG2 0.00 0.09 -0.36 -0.04 1.67 1.37 2jk6A1 ARG 138 HG3 0.01 -0.10 -0.29 -0.04 1.67 1.25 2jk6A1 ARG 138 HD2 -0.02 0.04 -0.16 -0.04 3.22 3.04 2jk6A1 ARG 138 HD3 -0.03 -0.05 -0.17 -0.04 3.22 2.93 2jk6A1 LYS 139 H 0.02 0.45 0.17 -0.55 8.42 8.50 2jk6A1 LYS 139 HA 0.05 0.10 0.48 -0.75 4.32 4.20 2jk6A1 LYS 139 HB2 0.01 0.13 0.20 -0.04 1.87 2.17 2jk6A1 LYS 139 HB3 0.01 -0.13 0.13 -0.04 1.79 1.75 2jk6A1 LYS 139 HG2 0.02 -0.03 0.01 -0.04 1.46 1.42 2jk6A1 LYS 139 HG3 0.02 0.06 0.08 -0.04 1.46 1.57 2jk6A1 LYS 139 HD2 0.01 0.04 0.02 -0.04 1.69 1.71 2jk6A1 LYS 139 HD3 0.00 -0.07 0.04 -0.04 1.68 1.61 2jk6A1 LYS 139 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 2jk6A1 LYS 139 HE3 0.01 0.03 0.01 -0.04 2.99 3.00 2jk6A1 SER 140 H -0.03 0.10 0.00 -0.55 8.46 7.99 2jk6A1 SER 140 HA -0.13 0.24 0.70 -0.75 4.49 4.54 2jk6A1 SER 140 HB2 -0.22 -0.01 0.17 -0.04 3.95 3.85 2jk6A1 SER 140 HB3 -0.07 0.05 -0.10 -0.04 3.93 3.77 2jk6A1 GLU 141 H -0.92 0.13 0.12 -0.55 8.60 7.38 2jk6A1 GLU 141 HA -0.62 0.15 0.39 -0.75 4.29 3.46 2jk6A1 GLU 141 HB2 -1.06 -0.00 0.12 -0.04 2.09 1.11 2jk6A1 GLU 141 HB3 -0.41 -0.01 0.01 -0.04 1.99 1.54 2jk6A1 GLU 141 HG2 -0.22 -0.01 -0.00 -0.04 2.34 2.07 2jk6A1 GLU 141 HG3 -0.22 0.06 0.06 -0.04 2.34 2.19 2jk6A1 ASP 142 H -0.26 -0.04 -0.19 -0.55 8.40 7.36 2jk6A1 ASP 142 HA -0.15 0.13 0.47 -0.75 4.63 4.33 2jk6A1 ASP 142 HB2 -0.10 0.04 0.06 -0.04 2.71 2.66 2jk6A1 ASP 142 HB3 -0.10 -0.05 0.05 -0.04 2.70 2.56 2jk6A1 PRO 143 HA -0.12 0.15 0.27 -0.51 4.44 4.24 2jk6A1 PRO 143 HB2 -0.41 0.00 0.00 -0.04 2.28 1.83 2jk6A1 PRO 143 HB3 -0.16 0.04 0.12 -0.04 2.02 1.98 2jk6A1 PRO 143 HG2 -0.17 -0.01 0.09 -0.04 2.03 1.90 2jk6A1 PRO 143 HG3 -0.13 0.12 0.13 -0.04 2.03 2.11 2jk6A1 PRO 143 HD2 -0.20 0.05 0.16 -0.04 3.68 3.65 2jk6A1 PRO 143 HD3 -0.15 0.16 0.31 -0.04 3.65 3.93 2jk6A1 HIS 144 H -0.10 -0.03 -0.73 -0.55 8.41 7.01 2jk6A1 HIS 144 HA -0.02 0.26 0.84 -0.75 4.63 4.95 2jk6A1 HIS 144 HB2 -0.03 -0.06 -0.02 -0.04 3.26 3.11 2jk6A1 HIS 144 HB3 -0.02 0.01 0.13 -0.04 3.20 3.28 2jk6A1 HIS 144 HD2 -0.02 -0.02 -0.05 -0.04 6.97 6.83 2jk6A1 HIS 144 HE1 -0.01 0.01 -0.05 -0.04 7.75 7.65 2jk6A1 SER 145 H -0.02 0.49 -0.13 -0.55 8.46 8.26 2jk6A1 SER 145 HA 0.01 0.04 0.54 -0.75 4.49 4.32 2jk6A1 SER 145 HB2 -0.03 0.15 0.03 -0.04 3.95 4.07 2jk6A1 SER 145 HB3 -0.01 -0.13 0.18 -0.04 3.93 3.92 2jk6A1 ASP 146 H 0.01 0.06 0.15 -0.55 8.40 8.07 2jk6A1 ASP 146 HA 0.01 0.09 0.49 -0.75 4.63 4.47 2jk6A1 ASP 146 HB2 0.01 -0.08 0.13 -0.04 2.71 2.72 2jk6A1 ASP 146 HB3 0.01 0.14 -0.08 -0.04 2.70 2.72 2jk6A1 VAL 147 H 0.01 0.14 0.13 -0.55 8.24 7.97 2jk6A1 VAL 147 HA 0.01 0.09 0.58 -0.75 4.13 4.07 2jk6A1 VAL 147 HB 0.01 -0.03 0.09 -0.04 2.12 2.15 2jk6A1 VAL 147 HG13 0.01 -0.01 -0.28 -0.04 0.97 0.65 2jk6A1 VAL 147 HG23 0.01 0.02 -0.05 -0.04 0.95 0.89 2jk6A1 LEU 148 H 0.01 0.71 0.38 -0.55 8.37 8.92 2jk6A1 LEU 148 HA 0.01 0.05 0.53 -0.75 4.35 4.18 2jk6A1 LEU 148 HB2 -0.00 0.12 -0.01 -0.04 1.64 1.72 2jk6A1 LEU 148 HB3 -0.00 -0.04 -0.07 -0.04 1.64 1.49 2jk6A1 LEU 148 HG 0.01 -0.04 -0.16 -0.04 1.64 1.41 2jk6A1 LEU 148 HD13 -0.00 0.01 -0.08 -0.04 0.93 0.82 2jk6A1 LEU 148 HD23 0.00 -0.02 -0.04 -0.04 0.89 0.80 2jk6A1 GLU 149 H 0.00 0.35 0.17 -0.55 8.60 8.58 2jk6A1 GLU 149 HA 0.02 0.11 0.22 -0.75 4.29 3.89 2jk6A1 GLU 149 HB2 0.04 -0.01 -0.05 -0.04 2.09 2.04 2jk6A1 GLU 149 HB3 0.05 0.16 0.13 -0.04 1.99 2.28 2jk6A1 GLU 149 HG2 0.02 -0.06 -0.34 -0.04 2.34 1.91 2jk6A1 GLU 149 HG3 -0.01 -0.05 -0.19 -0.04 2.34 2.05 2jk6A1 THR 150 H 0.03 0.25 0.07 -0.55 8.28 8.07 2jk6A1 THR 150 HA 0.01 0.17 0.92 -0.75 4.39 4.73 2jk6A1 THR 150 HB 0.02 0.01 0.08 -0.04 4.32 4.39 2jk6A1 THR 150 HG23 0.02 -0.00 -0.21 -0.04 1.22 0.99 2jk6A1 LEU 151 H 0.00 0.75 0.19 -0.55 8.37 8.77 2jk6A1 LEU 151 HA 0.15 0.13 0.74 -0.75 4.35 4.61 2jk6A1 LEU 151 HB2 -0.06 -0.06 0.12 -0.04 1.64 1.59 2jk6A1 LEU 151 HB3 -0.08 0.03 -0.10 -0.04 1.64 1.45 2jk6A1 LEU 151 HG -0.13 0.05 -0.17 -0.04 1.64 1.35 2jk6A1 LEU 151 HD13 -0.46 -0.01 -0.19 -0.04 0.93 0.23 2jk6A1 LEU 151 HD23 -0.23 0.01 -0.27 -0.04 0.89 0.36 2jk6A1 ASP 152 H 0.13 0.20 0.16 -0.55 8.40 8.35 2jk6A1 ASP 152 HA 0.09 0.23 0.81 -0.75 4.63 5.00 2jk6A1 ASP 152 HB2 0.04 0.02 0.07 -0.04 2.71 2.79 2jk6A1 ASP 152 HB3 0.03 -0.08 0.26 -0.04 2.70 2.87 2jk6A1 THR 153 H 0.13 0.88 0.35 -0.55 8.28 9.08 2jk6A1 THR 153 HA 0.18 0.22 1.02 -0.75 4.39 5.05 2jk6A1 THR 153 HB 0.16 -0.10 -0.42 -0.04 4.32 3.92 2jk6A1 THR 153 HG23 0.07 0.01 -0.34 -0.04 1.22 0.92 2jk6A1 GLU 154 H 0.15 0.49 0.24 -0.55 8.60 8.94 2jk6A1 GLU 154 HA 0.12 0.03 0.75 -0.75 4.29 4.45 2jk6A1 GLU 154 HB2 0.14 0.05 0.41 -0.04 2.09 2.65 2jk6A1 GLU 154 HB3 -0.25 0.01 0.08 -0.04 1.99 1.79 2jk6A1 GLU 154 HG2 0.00 -0.03 0.08 -0.04 2.34 2.35 2jk6A1 GLU 154 HG3 0.06 -0.04 0.05 -0.04 2.34 2.36 2jk6A1 TYR 155 H 0.26 0.54 0.24 -0.55 8.29 8.77 2jk6A1 TYR 155 HA 0.09 0.31 1.05 -0.75 4.56 5.25 2jk6A1 TYR 155 HB2 0.32 -0.01 0.14 -0.04 3.06 3.48 2jk6A1 TYR 155 HB3 0.27 -0.03 0.01 -0.04 2.98 3.19 2jk6A1 TYR 155 HD2 0.24 0.15 0.08 -0.04 7.15 7.57 2jk6A1 TYR 155 HE2 0.01 0.00 0.01 -0.04 6.85 6.83 2jk6A1 ILE 156 H 0.24 0.50 0.29 -0.55 8.25 8.72 2jk6A1 ILE 156 HA 0.12 0.23 1.02 -0.75 4.18 4.79 2jk6A1 ILE 156 HB 0.06 -0.05 0.11 -0.04 1.89 1.97 2jk6A1 ILE 156 HG12 0.04 -0.02 -0.21 -0.04 1.49 1.25 2jk6A1 ILE 156 HG13 0.03 0.05 -0.52 -0.04 1.21 0.74 2jk6A1 ILE 156 HG23 0.03 -0.02 -0.19 -0.04 0.93 0.71 2jk6A1 ILE 156 HD13 -0.01 -0.04 -0.29 -0.04 0.88 0.50 2jk6A1 LEU 157 H 0.06 0.66 0.29 -0.55 8.37 8.83 2jk6A1 LEU 157 HA -0.04 0.25 1.01 -0.75 4.35 4.82 2jk6A1 LEU 157 HB2 -0.35 0.07 -0.11 -0.04 1.64 1.21 2jk6A1 LEU 157 HB3 -0.07 -0.04 0.06 -0.04 1.64 1.55 2jk6A1 LEU 157 HG -0.15 -0.12 -0.44 -0.04 1.64 0.90 2jk6A1 LEU 157 HD13 -0.43 0.03 -0.29 -0.04 0.93 0.20 2jk6A1 LEU 157 HD23 -0.44 -0.00 -0.14 -0.04 0.89 0.27 2jk6A1 ILE 158 H -0.01 0.97 0.39 -0.55 8.25 9.05 2jk6A1 ILE 158 HA -0.00 0.09 0.93 -0.75 4.18 4.45 2jk6A1 ILE 158 HB 0.00 0.01 0.28 -0.04 1.89 2.14 2jk6A1 ILE 158 HG12 0.01 -0.00 -0.01 -0.04 1.49 1.44 2jk6A1 ILE 158 HG13 0.01 0.02 -0.09 -0.04 1.21 1.10 2jk6A1 ILE 158 HG23 0.01 -0.04 -0.01 -0.04 0.93 0.86 2jk6A1 ILE 158 HD13 0.01 0.01 -0.06 -0.04 0.88 0.79 2jk6A1 ALA 159 H 0.00 0.78 0.30 -0.55 8.40 8.93 2jk6A1 ALA 159 HA 0.01 0.17 0.80 -0.75 4.34 4.56 2jk6A1 ALA 159 HB3 -0.00 -0.01 -0.02 -0.04 1.41 1.33 2jk6A1 THR 160 H 0.02 0.19 0.09 -0.55 8.28 8.04 2jk6A1 THR 160 HA 0.03 0.06 0.62 -0.75 4.39 4.34 2jk6A1 THR 160 HB 0.02 0.02 0.17 -0.04 4.32 4.49 2jk6A1 THR 160 HG23 0.00 0.01 -0.04 -0.04 1.22 1.15 2jk6A1 GLY 161 H 0.05 -0.02 -0.25 -0.55 8.43 7.67 2jk6A1 GLY 161 HA2 0.08 -0.23 0.28 -0.51 4.01 3.63 2jk6A1 GLY 161 HA3 0.10 0.00 0.35 -0.51 4.01 3.94 2jk6A1 SER 162 H 0.15 0.04 0.18 -0.55 8.46 8.28 2jk6A1 SER 162 HA 0.17 0.19 0.89 -0.75 4.49 4.98 2jk6A1 SER 162 HB2 0.14 0.05 -0.34 -0.04 3.95 3.76 2jk6A1 SER 162 HB3 0.11 0.04 -0.36 -0.04 3.93 3.68 2jk6A1 TRP 163 H 0.24 0.50 0.13 -0.55 7.97 8.29 2jk6A1 TRP 163 HA 0.05 0.07 0.75 -0.75 4.62 4.74 2jk6A1 TRP 163 HB2 0.06 -0.00 -0.32 -0.04 3.23 2.93 2jk6A1 TRP 163 HB3 0.04 0.04 -0.04 -0.04 3.23 3.23 2jk6A1 TRP 163 HD1 0.04 0.03 -0.08 -0.04 7.22 7.16 2jk6A1 TRP 163 HE1 0.06 -0.01 0.02 -0.04 10.20 10.23 2jk6A1 TRP 163 HE3 0.08 0.10 0.16 -0.04 7.59 7.89 2jk6A1 TRP 163 HZ2 0.18 0.03 0.03 -0.04 7.44 7.63 2jk6A1 TRP 163 HZ3 0.16 -0.06 0.11 -0.04 7.13 7.30 2jk6A1 TRP 163 HH2 0.37 0.10 0.02 -0.04 7.19 7.64 2jk6A1 PRO 164 HA -0.10 0.11 0.66 -0.51 4.44 4.60 2jk6A1 PRO 164 HB2 -0.33 0.07 0.10 -0.04 2.28 2.08 2jk6A1 PRO 164 HB3 -0.23 0.00 0.21 -0.04 2.02 1.96 2jk6A1 PRO 164 HG2 -0.67 -0.03 0.16 -0.04 2.03 1.44 2jk6A1 PRO 164 HG3 -0.38 -0.03 0.16 -0.04 2.03 1.74 2jk6A1 PRO 164 HD2 -2.03 0.17 0.23 -0.04 3.68 2.01 2jk6A1 PRO 164 HD3 -0.76 0.11 0.27 -0.04 3.65 3.23 2jk6A1 THR 165 H -0.00 0.71 0.40 -0.55 8.28 8.84 2jk6A1 THR 165 HA 0.07 0.10 0.68 -0.75 4.39 4.48 2jk6A1 THR 165 HB 0.04 0.07 0.06 -0.04 4.32 4.45 2jk6A1 THR 165 HG23 0.06 -0.00 -0.14 -0.04 1.22 1.10 2jk6A1 ARG 166 H 0.04 0.13 0.14 -0.55 8.46 8.22 2jk6A1 ARG 166 HA -0.01 0.22 0.90 -0.75 4.34 4.70 2jk6A1 ARG 166 HB2 0.04 0.02 0.07 -0.04 1.90 1.98 2jk6A1 ARG 166 HB3 0.01 -0.15 0.12 -0.04 1.80 1.74 2jk6A1 ARG 166 HG2 -0.02 0.08 -0.18 -0.04 1.67 1.51 2jk6A1 ARG 166 HG3 0.04 0.06 -0.11 -0.04 1.67 1.62 2jk6A1 ARG 166 HD2 0.03 -0.00 -0.04 -0.04 3.22 3.17 2jk6A1 ARG 166 HD3 0.01 -0.04 -0.05 -0.04 3.22 3.10 2jk6A1 LEU 167 H 0.01 0.14 0.13 -0.55 8.37 8.09 2jk6A1 LEU 167 HA 0.01 0.15 0.32 -0.75 4.35 4.08 2jk6A1 LEU 167 HB2 0.00 -0.03 0.06 -0.04 1.64 1.62 2jk6A1 LEU 167 HB3 0.01 -0.03 -0.03 -0.04 1.64 1.55 2jk6A1 LEU 167 HG 0.01 0.10 -0.10 -0.04 1.64 1.61 2jk6A1 LEU 167 HD13 0.02 -0.00 -0.01 -0.04 0.93 0.89 2jk6A1 LEU 167 HD23 0.00 0.01 -0.10 -0.04 0.89 0.76 2jk6A1 GLY 168 H 0.02 -0.06 -0.14 -0.55 8.43 7.70 2jk6A1 GLY 168 HA2 0.02 -0.05 0.26 -0.51 4.01 3.74 2jk6A1 GLY 168 HA3 0.02 0.11 0.38 -0.51 4.01 4.01 2jk6A1 VAL 169 H 0.02 0.03 0.00 -0.55 8.24 7.74 2jk6A1 VAL 169 HA 0.02 0.28 0.79 -0.75 4.13 4.46 2jk6A1 VAL 169 HB 0.02 -0.21 -0.35 -0.04 2.12 1.54 2jk6A1 VAL 169 HG13 0.02 0.02 -0.48 -0.04 0.97 0.49 2jk6A1 VAL 169 HG23 0.01 0.11 -0.13 -0.04 0.95 0.90 2jk6A1 PRO 170 HA 0.05 -0.05 0.54 -0.51 4.44 4.47 2jk6A1 PRO 170 HB2 0.03 -0.00 0.14 -0.04 2.28 2.41 2jk6A1 PRO 170 HB3 0.03 0.03 0.15 -0.04 2.02 2.18 2jk6A1 PRO 170 HG2 0.01 0.23 0.24 -0.04 2.03 2.46 2jk6A1 PRO 170 HG3 0.01 0.05 0.13 -0.04 2.03 2.16 2jk6A1 PRO 170 HD2 0.01 0.24 0.30 -0.04 3.68 4.19 2jk6A1 PRO 170 HD3 0.02 0.11 0.15 -0.04 3.65 3.88 2jk6A1 GLY 171 H 0.11 0.06 0.33 -0.55 8.43 8.39 2jk6A1 GLY 171 HA2 0.45 -0.01 0.42 -0.51 4.01 4.37 2jk6A1 GLY 171 HA3 0.22 0.43 0.86 -0.51 4.01 5.01 2jk6A1 ASP 172 H 0.07 0.44 0.19 -0.55 8.40 8.55 2jk6A1 ASP 172 HA 0.05 0.09 0.38 -0.75 4.63 4.39 2jk6A1 ASP 172 HB2 0.02 -0.08 0.17 -0.04 2.71 2.78 2jk6A1 ASP 172 HB3 0.02 0.02 0.20 -0.04 2.70 2.90 2jk6A1 GLU 173 H -0.04 0.05 -0.12 -0.55 8.60 7.95 2jk6A1 GLU 173 HA -0.06 0.12 0.44 -0.75 4.29 4.04 2jk6A1 GLU 173 HB2 -0.15 0.07 0.14 -0.04 2.09 2.10 2jk6A1 GLU 173 HB3 -0.10 -0.05 0.10 -0.04 1.99 1.90 2jk6A1 GLU 173 HG2 -0.73 0.10 -0.24 -0.04 2.34 1.43 2jk6A1 GLU 173 HG3 -0.29 0.03 -0.01 -0.04 2.34 2.03 2jk6A1 PHE 174 H 0.09 0.31 -0.55 -0.55 8.34 7.64 2jk6A1 PHE 174 HA 0.00 0.12 0.67 -0.75 4.62 4.66 2jk6A1 PHE 174 HB2 -0.01 0.19 0.03 -0.04 3.15 3.32 2jk6A1 PHE 174 HB3 -0.01 -0.01 0.07 -0.04 3.06 3.07 2jk6A1 PHE 174 HD2 0.00 0.08 0.07 -0.04 7.28 7.39 2jk6A1 PHE 174 HE2 0.01 0.00 0.05 -0.04 7.38 7.40 2jk6A1 PHE 174 HZ 0.01 0.01 0.03 -0.04 7.32 7.33 2jk6A1 CYS 175 H 0.04 0.32 -0.23 -0.55 8.50 8.09 2jk6A1 CYS 175 HA 0.01 0.12 0.80 -0.75 4.58 4.75 2jk6A1 CYS 175 HB2 -0.01 -0.01 0.11 -0.04 2.97 3.01 2jk6A1 CYS 175 HB3 -0.04 0.06 0.14 -0.04 2.97 3.09 2jk6A1 ILE 176 H -0.07 0.62 0.41 -0.55 8.25 8.66 2jk6A1 ILE 176 HA -0.05 0.19 0.94 -0.75 4.18 4.50 2jk6A1 ILE 176 HB -0.06 -0.13 0.11 -0.04 1.89 1.76 2jk6A1 ILE 176 HG12 -0.11 0.03 -0.13 -0.04 1.49 1.24 2jk6A1 ILE 176 HG13 -0.14 -0.12 -0.23 -0.04 1.21 0.68 2jk6A1 ILE 176 HG23 -0.01 0.04 -0.10 -0.04 0.93 0.82 2jk6A1 ILE 176 HD13 -0.09 0.01 -0.14 -0.04 0.88 0.61 2jk6A1 THR 177 H -0.16 0.04 0.18 -0.55 8.28 7.80 2jk6A1 THR 177 HA -0.21 0.30 0.92 -0.75 4.39 4.64 2jk6A1 THR 177 HB -0.28 -0.11 0.31 -0.04 4.32 4.21 2jk6A1 THR 177 HG23 -0.17 0.07 -0.05 -0.04 1.22 1.03 2jk6A1 SER 178 H -0.31 0.21 0.18 -0.55 8.46 7.99 2jk6A1 SER 178 HA -0.77 0.12 0.41 -0.75 4.49 3.51 2jk6A1 SER 178 HB2 -0.05 0.11 0.02 -0.04 3.95 3.99 2jk6A1 SER 178 HB3 -0.32 -0.01 0.10 -0.04 3.93 3.65 2jk6A1 ASN 179 H -0.34 0.05 -0.11 -0.55 8.53 7.58 2jk6A1 ASN 179 HA -0.06 0.11 0.36 -0.75 4.76 4.41 2jk6A1 ASN 179 HB2 -0.83 -0.08 0.09 -0.04 2.88 2.02 2jk6A1 ASN 179 HB3 -2.40 0.09 -0.08 -0.04 2.79 0.36 2jk6A1 ASN 179 HD21 -1.52 0.02 0.07 -0.04 7.03 5.56 2jk6A1 ASN 179 HD22 -0.99 0.06 0.03 -0.04 7.74 6.79 2jk6A1 GLU 180 H -0.27 0.00 -0.17 -0.55 8.60 7.62 2jk6A1 GLU 180 HA 0.32 0.13 0.34 -0.75 4.29 4.33 2jk6A1 GLU 180 HB2 -0.03 -0.10 0.12 -0.04 2.09 2.03 2jk6A1 GLU 180 HB3 0.11 0.09 0.00 -0.04 1.99 2.15 2jk6A1 GLU 180 HG2 0.11 0.13 0.04 -0.04 2.34 2.58 2jk6A1 GLU 180 HG3 0.31 0.04 -0.00 -0.04 2.34 2.65 2jk6A1 ALA 181 H -0.11 0.31 -0.27 -0.55 8.40 7.78 2jk6A1 ALA 181 HA 0.13 0.04 0.37 -0.75 4.34 4.13 2jk6A1 ALA 181 HB3 -0.19 0.03 0.02 -0.04 1.41 1.22 2jk6A1 PHE 182 H 0.11 0.34 -0.34 -0.55 8.34 7.90 2jk6A1 PHE 182 HA -0.01 0.04 0.36 -0.75 4.62 4.25 2jk6A1 PHE 182 HB2 -0.12 0.18 0.08 -0.04 3.15 3.24 2jk6A1 PHE 182 HB3 -0.54 -0.00 0.06 -0.04 3.06 2.53 2jk6A1 PHE 182 HD2 -0.06 0.05 -0.03 -0.04 7.28 7.20 2jk6A1 PHE 182 HE2 -0.01 0.00 -0.31 -0.04 7.38 7.02 2jk6A1 PHE 182 HZ 0.06 -0.08 -0.20 -0.04 7.32 7.06 2jk6A1 TYR 183 H 0.36 0.35 -0.63 -0.55 8.29 7.81 2jk6A1 TYR 183 HA 0.23 0.21 0.83 -0.75 4.56 5.08 2jk6A1 TYR 183 HB2 0.27 -0.01 0.03 -0.04 3.06 3.32 2jk6A1 TYR 183 HB3 0.19 -0.02 0.13 -0.04 2.98 3.24 2jk6A1 TYR 183 HD2 0.31 0.10 -0.02 -0.04 7.15 7.49 2jk6A1 TYR 183 HE2 0.39 -0.02 -0.07 -0.04 6.85 7.12 2jk6A1 LEU 184 H 0.40 0.26 -0.15 -0.55 8.37 8.34 2jk6A1 LEU 184 HA 0.21 -0.03 0.50 -0.75 4.35 4.28 2jk6A1 LEU 184 HB2 0.38 0.06 0.03 -0.04 1.64 2.06 2jk6A1 LEU 184 HB3 0.01 0.07 -0.02 -0.04 1.64 1.67 2jk6A1 LEU 184 HG 0.20 0.03 0.10 -0.04 1.64 1.92 2jk6A1 LEU 184 HD13 -0.01 -0.00 0.00 -0.04 0.93 0.88 2jk6A1 LEU 184 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 2jk6A1 GLU 185 H 0.15 0.08 0.19 -0.55 8.60 8.47 2jk6A1 GLU 185 HA 0.23 0.09 0.39 -0.75 4.29 4.25 2jk6A1 GLU 185 HB2 0.11 0.02 0.17 -0.04 2.09 2.35 2jk6A1 GLU 185 HB3 0.08 -0.03 0.09 -0.04 1.99 2.09 2jk6A1 GLU 185 HG2 0.10 -0.02 -0.05 -0.04 2.34 2.32 2jk6A1 GLU 185 HG3 0.12 0.02 0.07 -0.04 2.34 2.50 2jk6A1 ASP 186 H -0.00 0.11 -0.06 -0.55 8.40 7.91 2jk6A1 ASP 186 HA 0.05 0.13 0.81 -0.75 4.63 4.86 2jk6A1 ASP 186 HB2 -0.05 -0.05 -0.05 -0.04 2.71 2.52 2jk6A1 ASP 186 HB3 -0.07 0.12 -0.09 -0.04 2.70 2.61 2jk6A1 ALA 187 H -0.33 0.08 0.08 -0.55 8.40 7.69 2jk6A1 ALA 187 HA -1.17 0.09 0.55 -0.75 4.34 3.05 2jk6A1 ALA 187 HB3 -0.14 0.00 0.05 -0.04 1.41 1.28 2jk6A1 PRO 188 HA -0.19 -0.02 0.28 -0.51 4.44 3.99 2jk6A1 PRO 188 HB2 -0.30 -0.04 -0.26 -0.04 2.28 1.64 2jk6A1 PRO 188 HB3 -0.29 0.02 -0.06 -0.04 2.02 1.64 2jk6A1 PRO 188 HG2 -0.47 0.06 -0.03 -0.04 2.03 1.55 2jk6A1 PRO 188 HG3 -0.78 -0.02 -0.02 -0.04 2.03 1.17 2jk6A1 PRO 188 HD2 -0.49 0.08 0.18 -0.04 3.68 3.40 2jk6A1 PRO 188 HD3 -0.46 0.23 0.21 -0.04 3.65 3.59 2jk6A1 LYS 189 H -0.14 0.02 0.16 -0.55 8.42 7.92 2jk6A1 LYS 189 HA -0.10 0.24 0.77 -0.75 4.32 4.48 2jk6A1 LYS 189 HB2 -0.07 0.05 0.11 -0.04 1.87 1.91 2jk6A1 LYS 189 HB3 -0.10 -0.12 0.15 -0.04 1.79 1.68 2jk6A1 LYS 189 HG2 -0.11 -0.03 -0.21 -0.04 1.46 1.08 2jk6A1 LYS 189 HG3 -0.06 0.08 -0.06 -0.04 1.46 1.39 2jk6A1 LYS 189 HD2 -0.02 0.02 -0.02 -0.04 1.69 1.63 2jk6A1 LYS 189 HD3 -0.03 -0.09 -0.02 -0.04 1.68 1.49 2jk6A1 LYS 189 HE2 0.02 -0.03 -0.10 -0.04 2.99 2.83 2jk6A1 LYS 189 HE3 0.02 0.18 -0.12 -0.04 2.99 3.02 2jk6A1 ARG 190 H -0.19 -0.05 0.09 -0.55 8.46 7.75 2jk6A1 ARG 190 HA -0.74 0.37 1.05 -0.75 4.34 4.26 2jk6A1 ARG 190 HB2 -0.17 -0.34 0.31 -0.04 1.90 1.66 2jk6A1 ARG 190 HB3 -0.34 0.15 0.19 -0.04 1.80 1.76 2jk6A1 ARG 190 HG2 -0.54 0.13 -0.00 -0.04 1.67 1.22 2jk6A1 ARG 190 HG3 -0.25 -0.07 -0.27 -0.04 1.67 1.03 2jk6A1 ARG 190 HD2 -0.07 0.13 0.02 -0.04 3.22 3.25 2jk6A1 ARG 190 HD3 -0.00 0.04 -0.02 -0.04 3.22 3.21 2jk6A1 MET 191 H -0.23 0.76 0.28 -0.55 8.47 8.74 2jk6A1 MET 191 HA -0.22 0.13 0.81 -0.75 4.52 4.49 2jk6A1 MET 191 HB2 -0.41 -0.01 -0.12 -0.04 2.15 1.56 2jk6A1 MET 191 HB3 -0.19 0.14 0.04 -0.04 2.03 1.98 2jk6A1 MET 191 HG2 -0.71 0.00 -0.14 -0.04 2.63 1.75 2jk6A1 MET 191 HG3 -0.22 -0.06 -0.34 -0.04 2.56 1.90 2jk6A1 MET 191 HE3 -1.29 -0.01 -0.12 -0.04 2.10 0.64 2jk6A1 LEU 192 H -0.32 0.55 0.38 -0.55 8.37 8.44 2jk6A1 LEU 192 HA -0.31 0.27 1.06 -0.75 4.35 4.61 2jk6A1 LEU 192 HB2 -1.97 0.03 -0.05 -0.04 1.64 -0.39 2jk6A1 LEU 192 HB3 -0.64 -0.03 0.18 -0.04 1.64 1.11 2jk6A1 LEU 192 HG -0.22 -0.05 -0.41 -0.04 1.64 0.93 2jk6A1 LEU 192 HD13 -0.13 0.05 -0.11 -0.04 0.93 0.69 2jk6A1 LEU 192 HD23 -0.20 -0.02 -0.15 -0.04 0.89 0.49 2jk6A1 CYS 193 H -0.10 0.82 0.33 -0.55 8.50 9.01 2jk6A1 CYS 193 HA -0.09 0.15 1.05 -0.75 4.58 4.93 2jk6A1 CYS 193 HB2 0.00 0.01 0.17 -0.04 2.97 3.11 2jk6A1 CYS 193 HB3 0.00 -0.04 -0.02 -0.04 2.97 2.87 2jk6A1 VAL 194 H -0.06 0.75 0.36 -0.55 8.24 8.74 2jk6A1 VAL 194 HA 0.03 0.30 1.01 -0.75 4.13 4.72 2jk6A1 VAL 194 HB -0.01 -0.14 0.18 -0.04 2.12 2.10 2jk6A1 VAL 194 HG13 0.05 0.00 0.01 -0.04 0.97 0.98 2jk6A1 VAL 194 HG23 -0.02 0.03 -0.10 -0.04 0.95 0.81 2jk6A1 GLY 195 H 0.12 0.77 0.39 -0.55 8.43 9.16 2jk6A1 GLY 195 HA2 0.17 -0.04 0.38 -0.51 4.01 4.01 2jk6A1 GLY 195 HA3 0.04 0.25 0.90 -0.51 4.01 4.68 2jk6A1 GLY 196 H -0.02 0.10 0.23 -0.55 8.43 8.19 2jk6A1 GLY 196 HA2 -0.31 0.28 0.71 -0.51 4.01 4.19 2jk6A1 GLY 196 HA3 -1.07 -0.02 0.36 -0.51 4.01 2.77 2jk6A1 GLY 197 H -0.05 0.13 0.18 -0.55 8.43 8.14 2jk6A1 GLY 197 HA2 0.07 0.21 0.72 -0.51 4.01 4.49 2jk6A1 GLY 197 HA3 0.06 0.04 0.38 -0.51 4.01 3.98 2jk6A1 TYR 198 H 0.42 0.22 0.14 -0.55 8.29 8.52 2jk6A1 TYR 198 HA -0.07 0.13 0.34 -0.75 4.56 4.21 2jk6A1 TYR 198 HB2 0.01 0.02 0.09 -0.04 3.06 3.14 2jk6A1 TYR 198 HB3 0.07 0.08 0.12 -0.04 2.98 3.21 2jk6A1 TYR 198 HD2 0.09 -0.02 0.03 -0.04 7.15 7.21 2jk6A1 TYR 198 HE2 0.09 0.02 0.01 -0.04 6.85 6.93 2jk6A1 ILE 199 H -0.67 0.06 -0.18 -0.55 8.25 6.91 2jk6A1 ILE 199 HA -0.25 0.11 0.36 -0.75 4.18 3.65 2jk6A1 ILE 199 HB -0.25 -0.06 0.04 -0.04 1.89 1.59 2jk6A1 ILE 199 HG12 -0.36 0.07 -0.00 -0.04 1.49 1.15 2jk6A1 ILE 199 HG13 -1.47 -0.07 0.03 -0.04 1.21 -0.35 2jk6A1 ILE 199 HG23 -0.00 0.03 -0.15 -0.04 0.93 0.77 2jk6A1 ILE 199 HD13 -0.10 0.01 -0.01 -0.04 0.88 0.74 2jk6A1 ALA 200 H -0.08 0.02 -0.28 -0.55 8.40 7.51 2jk6A1 ALA 200 HA 0.01 0.07 0.27 -0.75 4.34 3.94 2jk6A1 ALA 200 HB3 -0.03 0.07 -0.17 -0.04 1.41 1.24 2jk6A1 VAL 201 H -0.03 0.38 -0.32 -0.55 8.24 7.71 2jk6A1 VAL 201 HA -0.01 0.10 0.29 -0.75 4.13 3.75 2jk6A1 VAL 201 HB -0.05 -0.02 0.00 -0.04 2.12 2.02 2jk6A1 VAL 201 HG13 -0.06 0.01 -0.20 -0.04 0.97 0.67 2jk6A1 VAL 201 HG23 -0.10 0.03 -0.17 -0.04 0.95 0.67 2jk6A1 GLU 202 H -0.01 0.59 -0.13 -0.55 8.60 8.51 2jk6A1 GLU 202 HA -0.03 0.07 0.26 -0.75 4.29 3.84 2jk6A1 GLU 202 HB2 -0.07 0.01 0.06 -0.04 2.09 2.04 2jk6A1 GLU 202 HB3 -0.15 0.05 -0.12 -0.04 1.99 1.73 2jk6A1 GLU 202 HG2 0.08 0.06 -0.57 -0.04 2.34 1.88 2jk6A1 GLU 202 HG3 0.06 0.01 -0.13 -0.04 2.34 2.24 2jk6A1 PHE 203 H 0.13 0.47 -0.27 -0.55 8.34 8.12 2jk6A1 PHE 203 HA -0.17 0.06 0.46 -0.75 4.62 4.22 2jk6A1 PHE 203 HB2 -0.05 0.14 0.06 -0.04 3.15 3.27 2jk6A1 PHE 203 HB3 0.08 -0.00 -0.13 -0.04 3.06 2.97 2jk6A1 PHE 203 HD2 -0.31 0.10 -0.03 -0.04 7.28 7.00 2jk6A1 PHE 203 HE2 -0.43 -0.01 -0.10 -0.04 7.38 6.80 2jk6A1 PHE 203 HZ -1.23 0.05 -0.08 -0.04 7.32 6.02 2jk6A1 ALA 204 H 0.15 0.53 -0.12 -0.55 8.40 8.41 2jk6A1 ALA 204 HA 0.22 -0.00 0.37 -0.75 4.34 4.17 2jk6A1 ALA 204 HB3 0.06 0.04 -0.00 -0.04 1.41 1.47 2jk6A1 GLY 205 H 0.03 0.35 -0.46 -0.55 8.43 7.81 2jk6A1 GLY 205 HA2 0.04 0.09 0.38 -0.51 4.01 4.00 2jk6A1 GLY 205 HA3 0.01 0.03 0.23 -0.51 4.01 3.76 2jk6A1 ILE 206 H -0.07 0.21 -0.25 -0.55 8.25 7.60 2jk6A1 ILE 206 HA 0.01 0.08 0.49 -0.75 4.18 4.01 2jk6A1 ILE 206 HB -0.40 0.03 0.14 -0.04 1.89 1.62 2jk6A1 ILE 206 HG12 -0.20 -0.01 -0.29 -0.04 1.49 0.95 2jk6A1 ILE 206 HG13 -0.24 0.25 0.02 -0.04 1.21 1.20 2jk6A1 ILE 206 HG23 -0.19 0.00 -0.18 -0.04 0.93 0.52 2jk6A1 ILE 206 HD13 -0.71 -0.03 -0.10 -0.04 0.88 -0.00 2jk6A1 PHE 207 H -0.01 0.59 -0.02 -0.55 8.34 8.34 2jk6A1 PHE 207 HA 0.14 0.03 0.39 -0.75 4.62 4.42 2jk6A1 PHE 207 HB2 0.03 0.05 0.03 -0.04 3.15 3.22 2jk6A1 PHE 207 HB3 -0.02 0.03 -0.07 -0.04 3.06 2.95 2jk6A1 PHE 207 HD2 -0.08 0.03 -0.15 -0.04 7.28 7.04 2jk6A1 PHE 207 HE2 -0.22 -0.02 -0.10 -0.04 7.38 7.00 2jk6A1 PHE 207 HZ -0.03 -0.05 -0.06 -0.04 7.32 7.14 2jk6A1 ASN 208 H 0.17 0.45 -0.28 -0.55 8.53 8.33 2jk6A1 ASN 208 HA 0.11 0.02 0.38 -0.75 4.76 4.51 2jk6A1 ASN 208 HB2 0.09 0.08 0.08 -0.04 2.88 3.10 2jk6A1 ASN 208 HB3 0.07 0.08 0.02 -0.04 2.79 2.92 2jk6A1 ASN 208 HD21 0.03 0.59 0.05 -0.04 7.03 7.65 2jk6A1 ASN 208 HD22 0.04 -0.09 -0.05 -0.04 7.74 7.60 2jk6A1 GLY 209 H 0.15 0.22 -0.57 -0.55 8.43 7.68 2jk6A1 GLY 209 HA2 0.02 0.10 0.70 -0.51 4.01 4.32 2jk6A1 GLY 209 HA3 0.08 -0.04 0.40 -0.51 4.01 3.94 2jk6A1 TYR 210 H 0.32 0.22 -0.09 -0.55 8.29 8.18 2jk6A1 TYR 210 HA 0.15 0.18 0.76 -0.75 4.56 4.90 2jk6A1 TYR 210 HB2 0.38 0.06 0.04 -0.04 3.06 3.50 2jk6A1 TYR 210 HB3 0.53 -0.12 0.07 -0.04 2.98 3.42 2jk6A1 TYR 210 HD2 0.22 0.04 -0.14 -0.04 7.15 7.22 2jk6A1 TYR 210 HE2 0.03 -0.07 -0.30 -0.04 6.85 6.47 2jk6A1 LYS 211 H 0.15 0.27 -0.17 -0.55 8.42 8.11 2jk6A1 LYS 211 HA 0.04 0.09 0.45 -0.75 4.32 4.15 2jk6A1 LYS 211 HB2 0.02 -0.02 0.02 -0.04 1.87 1.85 2jk6A1 LYS 211 HB3 0.05 -0.04 0.00 -0.04 1.79 1.76 2jk6A1 LYS 211 HG2 0.08 0.07 -0.05 -0.04 1.46 1.52 2jk6A1 LYS 211 HG3 0.05 -0.03 -0.10 -0.04 1.46 1.34 2jk6A1 LYS 211 HD2 0.06 0.09 -0.22 -0.04 1.69 1.57 2jk6A1 LYS 211 HD3 0.07 -0.19 -0.39 -0.04 1.68 1.13 2jk6A1 LYS 211 HE2 0.07 -0.04 0.02 -0.04 2.99 3.00 2jk6A1 LYS 211 HE3 0.07 -0.04 0.08 -0.04 2.99 3.06 2jk6A1 PRO 212 HA 0.03 0.11 0.62 -0.51 4.44 4.69 2jk6A1 PRO 212 HB2 0.01 -0.04 0.14 -0.04 2.28 2.35 2jk6A1 PRO 212 HB3 0.02 -0.00 0.14 -0.04 2.02 2.14 2jk6A1 PRO 212 HG2 -0.02 0.01 -0.00 -0.04 2.03 1.98 2jk6A1 PRO 212 HG3 -0.03 -0.01 0.02 -0.04 2.03 1.97 2jk6A1 PRO 212 HD2 -0.04 0.14 0.19 -0.04 3.68 3.93 2jk6A1 PRO 212 HD3 -0.02 0.24 0.02 -0.04 3.65 3.85 2jk6A1 CYS 213 H 0.02 0.06 0.11 -0.55 8.50 8.15 2jk6A1 CYS 213 HA 0.02 0.10 0.43 -0.75 4.58 4.39 2jk6A1 CYS 213 HB2 0.02 -0.02 0.10 -0.04 2.97 3.03 2jk6A1 CYS 213 HB3 0.02 -0.00 0.05 -0.04 2.97 2.99 2jk6A1 GLY 214 H 0.04 0.14 0.19 -0.55 8.43 8.25 2jk6A1 GLY 214 HA2 0.06 -0.00 0.38 -0.51 4.01 3.93 2jk6A1 GLY 214 HA3 0.05 -0.02 0.40 -0.51 4.01 3.94 2jk6A1 GLY 215 H 0.04 0.25 -0.88 -0.55 8.43 7.29 2jk6A1 GLY 215 HA2 -0.06 0.05 0.54 -0.51 4.01 4.03 2jk6A1 GLY 215 HA3 -0.01 0.08 0.32 -0.51 4.01 3.89 2jk6A1 TYR 216 H -0.28 0.60 0.47 -0.55 8.29 8.53 2jk6A1 TYR 216 HA 0.03 0.15 0.55 -0.75 4.56 4.53 2jk6A1 TYR 216 HB2 0.03 -0.02 0.11 -0.04 3.06 3.14 2jk6A1 TYR 216 HB3 0.01 0.16 -0.05 -0.04 2.98 3.07 2jk6A1 TYR 216 HD2 0.04 0.14 -0.20 -0.04 7.15 7.10 2jk6A1 TYR 216 HE2 0.03 -0.03 -0.03 -0.04 6.85 6.78 2jk6A1 VAL 217 H 0.17 0.32 0.20 -0.55 8.24 8.38 2jk6A1 VAL 217 HA 0.04 0.28 1.04 -0.75 4.13 4.73 2jk6A1 VAL 217 HB 0.05 -0.00 -0.12 -0.04 2.12 2.01 2jk6A1 VAL 217 HG13 0.10 0.03 -0.03 -0.04 0.97 1.03 2jk6A1 VAL 217 HG23 0.06 -0.04 -0.22 -0.04 0.95 0.72 2jk6A1 ASP 218 H 0.07 0.62 0.37 -0.55 8.40 8.91 2jk6A1 ASP 218 HA 0.08 0.28 1.04 -0.75 4.63 5.27 2jk6A1 ASP 218 HB2 0.08 -0.05 0.14 -0.04 2.71 2.84 2jk6A1 ASP 218 HB3 0.06 -0.00 -0.04 -0.04 2.70 2.68 2jk6A1 LEU 219 H 0.02 0.71 0.24 -0.55 8.37 8.80 2jk6A1 LEU 219 HA 0.00 0.20 1.02 -0.75 4.35 4.81 2jk6A1 LEU 219 HB2 0.02 0.01 -0.08 -0.04 1.64 1.54 2jk6A1 LEU 219 HB3 0.01 -0.07 0.12 -0.04 1.64 1.65 2jk6A1 LEU 219 HG 0.00 0.06 -0.08 -0.04 1.64 1.58 2jk6A1 LEU 219 HD13 -0.01 -0.03 -0.18 -0.04 0.93 0.67 2jk6A1 LEU 219 HD23 -0.01 -0.02 -0.21 -0.04 0.89 0.61 2jk6A1 CYS 220 H 0.02 0.88 0.35 -0.55 8.50 9.19 2jk6A1 CYS 220 HA 0.02 0.22 0.92 -0.75 4.58 4.98 2jk6A1 CYS 220 HB2 0.01 -0.00 -0.16 -0.04 2.97 2.78 2jk6A1 CYS 220 HB3 0.07 0.01 0.03 -0.04 2.97 3.03 2jk6A1 TYR 221 H 0.11 0.79 0.35 -0.55 8.29 8.98 2jk6A1 TYR 221 HA 0.01 -0.01 0.95 -0.75 4.56 4.75 2jk6A1 TYR 221 HB2 0.00 0.15 -0.21 -0.04 3.06 2.96 2jk6A1 TYR 221 HB3 -0.00 0.14 0.02 -0.04 2.98 3.09 2jk6A1 TYR 221 HD2 0.01 0.08 -0.28 -0.04 7.15 6.92 2jk6A1 TYR 221 HE2 0.02 0.10 -0.13 -0.04 6.85 6.80 2jk6A1 ARG 222 H -0.36 0.06 0.17 -0.55 8.46 7.77 2jk6A1 ARG 222 HA -0.15 0.08 0.55 -0.75 4.34 4.06 2jk6A1 ARG 222 HB2 -0.12 0.04 0.04 -0.04 1.90 1.81 2jk6A1 ARG 222 HB3 -0.08 0.11 0.03 -0.04 1.80 1.82 2jk6A1 ARG 222 HG2 -0.14 -0.07 0.10 -0.04 1.67 1.52 2jk6A1 ARG 222 HG3 -0.37 -0.04 -0.08 -0.04 1.67 1.14 2jk6A1 ARG 222 HD2 -0.07 0.05 -0.03 -0.04 3.22 3.12 2jk6A1 ARG 222 HD3 -0.03 0.04 0.00 -0.04 3.22 3.19 2jk6A1 GLY 223 H -1.77 -0.03 -0.20 -0.55 8.43 5.89 2jk6A1 GLY 223 HA2 -0.22 0.25 0.76 -0.51 4.01 4.29 2jk6A1 GLY 223 HA3 -0.39 -0.02 0.27 -0.51 4.01 3.36 2jk6A1 ASP 224 H 0.02 0.12 0.12 -0.55 8.40 8.10 2jk6A1 ASP 224 HA 0.02 0.14 0.41 -0.75 4.63 4.45 2jk6A1 ASP 224 HB2 0.05 -0.06 0.12 -0.04 2.71 2.77 2jk6A1 ASP 224 HB3 0.04 0.05 -0.04 -0.04 2.70 2.70 2jk6A1 LEU 225 H 0.19 0.09 -0.05 -0.55 8.37 8.06 2jk6A1 LEU 225 HA 0.09 0.21 0.79 -0.75 4.35 4.68 2jk6A1 LEU 225 HB2 0.07 -0.08 -0.15 -0.04 1.64 1.44 2jk6A1 LEU 225 HB3 0.07 0.02 -0.13 -0.04 1.64 1.55 2jk6A1 LEU 225 HG 0.03 0.06 -0.08 -0.04 1.64 1.61 2jk6A1 LEU 225 HD13 0.03 -0.00 -0.07 -0.04 0.93 0.84 2jk6A1 LEU 225 HD23 0.01 0.02 -0.16 -0.04 0.89 0.71 2jk6A1 ILE 226 H -0.00 0.18 0.03 -0.55 8.25 7.91 2jk6A1 ILE 226 HA -0.57 -0.03 0.42 -0.75 4.18 3.25 2jk6A1 ILE 226 HB -0.24 -0.01 0.06 -0.04 1.89 1.67 2jk6A1 ILE 226 HG12 -0.06 0.03 0.03 -0.04 1.49 1.44 2jk6A1 ILE 226 HG13 -0.11 -0.01 -0.18 -0.04 1.21 0.87 2jk6A1 ILE 226 HG23 -0.13 0.02 -0.04 -0.04 0.93 0.74 2jk6A1 ILE 226 HD13 -0.09 0.01 -0.12 -0.04 0.88 0.64 2jk6A1 LEU 227 H -0.29 0.43 0.28 -0.55 8.37 8.25 2jk6A1 LEU 227 HA -0.00 0.05 0.41 -0.75 4.35 4.05 2jk6A1 LEU 227 HB2 -0.17 0.17 -0.15 -0.04 1.64 1.45 2jk6A1 LEU 227 HB3 -0.37 -0.07 0.06 -0.04 1.64 1.21 2jk6A1 LEU 227 HG -0.21 0.01 -0.22 -0.04 1.64 1.18 2jk6A1 LEU 227 HD13 -0.43 0.00 -0.15 -0.04 0.93 0.31 2jk6A1 LEU 227 HD23 -0.28 -0.01 -0.16 -0.04 0.89 0.40 2jk6A1 ARG 228 H 0.05 0.04 0.02 -0.55 8.46 8.02 2jk6A1 ARG 228 HA 0.11 0.07 0.45 -0.75 4.34 4.22 2jk6A1 ARG 228 HB2 0.13 -0.05 0.11 -0.04 1.90 2.04 2jk6A1 ARG 228 HB3 0.09 0.04 -0.02 -0.04 1.80 1.88 2jk6A1 ARG 228 HG2 0.11 0.01 0.04 -0.04 1.67 1.79 2jk6A1 ARG 228 HG3 0.18 0.09 0.01 -0.04 1.67 1.91 2jk6A1 ARG 228 HD2 0.15 -0.01 0.02 -0.04 3.22 3.34 2jk6A1 ARG 228 HD3 0.22 -0.04 0.01 -0.04 3.22 3.37 2jk6A1 GLY 229 H 0.06 0.15 0.16 -0.55 8.43 8.26 2jk6A1 GLY 229 HA2 -0.03 -0.02 0.32 -0.51 4.01 3.77 2jk6A1 GLY 229 HA3 -0.07 0.15 0.61 -0.51 4.01 4.19 2jk6A1 PHE 230 H 0.24 0.37 -0.20 -0.55 8.34 8.19 2jk6A1 PHE 230 HA -0.03 0.14 0.75 -0.75 4.62 4.74 2jk6A1 PHE 230 HB2 -0.03 0.29 0.01 -0.04 3.15 3.38 2jk6A1 PHE 230 HB3 -0.04 -0.07 -0.00 -0.04 3.06 2.91 2jk6A1 PHE 230 HD2 -0.00 0.08 -0.23 -0.04 7.28 7.08 2jk6A1 PHE 230 HE2 -0.01 -0.04 -0.13 -0.04 7.38 7.15 2jk6A1 PHE 230 HZ -0.05 -0.05 -0.12 -0.04 7.32 7.06 2jk6A1 ASP 231 H 0.01 0.16 0.06 -0.55 8.40 8.08 2jk6A1 ASP 231 HA -0.17 -0.03 0.46 -0.75 4.63 4.13 2jk6A1 ASP 231 HB2 -0.70 0.11 0.08 -0.04 2.71 2.17 2jk6A1 ASP 231 HB3 -0.07 0.01 0.08 -0.04 2.70 2.68 2jk6A1 THR 232 H -0.02 0.11 0.19 -0.55 8.28 8.01 2jk6A1 THR 232 HA 0.02 0.16 0.27 -0.75 4.39 4.09 2jk6A1 THR 232 HB 0.04 -0.02 0.08 -0.04 4.32 4.37 2jk6A1 THR 232 HG23 0.03 0.03 -0.06 -0.04 1.22 1.18 2jk6A1 GLU 233 H 0.02 0.06 -0.14 -0.55 8.60 7.99 2jk6A1 GLU 233 HA 0.02 0.14 0.43 -0.75 4.29 4.13 2jk6A1 GLU 233 HB2 0.04 -0.05 -0.03 -0.04 2.09 2.01 2jk6A1 GLU 233 HB3 0.03 0.10 -0.06 -0.04 1.99 2.02 2jk6A1 GLU 233 HG2 0.07 -0.10 -0.01 -0.04 2.34 2.26 2jk6A1 GLU 233 HG3 0.08 0.08 -0.04 -0.04 2.34 2.42 2jk6A1 VAL 234 H -0.00 0.02 -0.39 -0.55 8.24 7.32 2jk6A1 VAL 234 HA -0.03 0.12 0.42 -0.75 4.13 3.88 2jk6A1 VAL 234 HB 0.02 0.06 0.03 -0.04 2.12 2.19 2jk6A1 VAL 234 HG13 -0.04 0.01 -0.23 -0.04 0.97 0.67 2jk6A1 VAL 234 HG23 0.02 -0.01 -0.20 -0.04 0.95 0.72 2jk6A1 ARG 235 H -0.00 0.51 -0.18 -0.55 8.46 8.23 2jk6A1 ARG 235 HA -0.07 0.01 0.27 -0.75 4.34 3.79 2jk6A1 ARG 235 HB2 0.01 0.06 0.04 -0.04 1.90 1.96 2jk6A1 ARG 235 HB3 -0.02 0.10 -0.06 -0.04 1.80 1.78 2jk6A1 ARG 235 HG2 -0.00 0.06 -0.03 -0.04 1.67 1.65 2jk6A1 ARG 235 HG3 0.05 -0.02 -0.17 -0.04 1.67 1.48 2jk6A1 ARG 235 HD2 0.12 -0.04 -0.22 -0.04 3.22 3.05 2jk6A1 ARG 235 HD3 0.05 -0.15 -0.31 -0.04 3.22 2.77 2jk6A1 LYS 236 H -0.01 0.44 -0.20 -0.55 8.42 8.10 2jk6A1 LYS 236 HA -0.01 0.05 0.48 -0.75 4.32 4.09 2jk6A1 LYS 236 HB2 0.00 0.05 0.13 -0.04 1.87 2.01 2jk6A1 LYS 236 HB3 -0.00 0.02 -0.03 -0.04 1.79 1.74 2jk6A1 LYS 236 HG2 0.01 0.01 0.01 -0.04 1.46 1.45 2jk6A1 LYS 236 HG3 0.01 0.00 0.01 -0.04 1.46 1.45 2jk6A1 LYS 236 HD2 0.01 -0.04 -0.08 -0.04 1.69 1.55 2jk6A1 LYS 236 HD3 0.01 0.02 -0.03 -0.04 1.68 1.64 2jk6A1 LYS 236 HE2 0.01 0.03 -0.04 -0.04 2.99 2.95 2jk6A1 LYS 236 HE3 0.02 -0.04 -0.06 -0.04 2.99 2.87 2jk6A1 SER 237 H -0.02 0.40 -0.24 -0.55 8.46 8.06 2jk6A1 SER 237 HA -0.02 0.06 0.43 -0.75 4.49 4.22 2jk6A1 SER 237 HB2 -0.02 0.05 0.10 -0.04 3.95 4.04 2jk6A1 SER 237 HB3 -0.05 0.03 0.08 -0.04 3.93 3.96 2jk6A1 LEU 238 H -0.05 0.45 -0.24 -0.55 8.37 7.98 2jk6A1 LEU 238 HA -0.05 0.12 0.58 -0.75 4.35 4.24 2jk6A1 LEU 238 HB2 -0.10 0.02 0.01 -0.04 1.64 1.53 2jk6A1 LEU 238 HB3 -0.09 0.05 0.06 -0.04 1.64 1.62 2jk6A1 LEU 238 HG -0.07 -0.02 -0.27 -0.04 1.64 1.24 2jk6A1 LEU 238 HD13 -0.08 -0.00 -0.13 -0.04 0.93 0.68 2jk6A1 LEU 238 HD23 -0.14 -0.04 -0.14 -0.04 0.89 0.53 2jk6A1 THR 239 H -0.04 0.49 -0.13 -0.55 8.28 8.05 2jk6A1 THR 239 HA -0.03 -0.00 0.42 -0.75 4.39 4.02 2jk6A1 THR 239 HB -0.01 0.15 0.19 -0.04 4.32 4.60 2jk6A1 THR 239 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.12 2jk6A1 LYS 240 H -0.02 0.44 -0.26 -0.55 8.42 8.02 2jk6A1 LYS 240 HA -0.01 0.03 0.46 -0.75 4.32 4.05 2jk6A1 LYS 240 HB2 -0.01 0.11 0.16 -0.04 1.87 2.09 2jk6A1 LYS 240 HB3 -0.00 0.14 0.11 -0.04 1.79 1.99 2jk6A1 LYS 240 HG2 0.00 0.00 -0.01 -0.04 1.46 1.42 2jk6A1 LYS 240 HG3 -0.01 -0.03 0.07 -0.04 1.46 1.46 2jk6A1 LYS 240 HD2 -0.00 -0.03 -0.00 -0.04 1.69 1.62 2jk6A1 LYS 240 HD3 0.00 0.01 0.01 -0.04 1.68 1.66 2jk6A1 LYS 240 HE2 0.01 0.03 -0.00 -0.04 2.99 2.98 2jk6A1 LYS 240 HE3 0.00 -0.01 0.00 -0.04 2.99 2.94 2jk6A1 GLN 241 H -0.01 0.28 -0.32 -0.55 8.47 7.88 2jk6A1 GLN 241 HA 0.08 0.03 0.49 -0.75 4.36 4.21 2jk6A1 GLN 241 HB2 -0.01 0.06 0.26 -0.04 2.15 2.42 2jk6A1 GLN 241 HB3 0.05 0.00 0.03 -0.04 2.02 2.06 2jk6A1 GLN 241 HG2 0.16 -0.07 -0.04 -0.04 2.40 2.40 2jk6A1 GLN 241 HG3 0.04 -0.02 0.07 -0.04 2.39 2.44 2jk6A1 GLN 241 HE21 -0.10 -0.01 -0.03 -0.04 6.97 6.80 2jk6A1 GLN 241 HE22 -0.05 0.26 -0.01 -0.04 7.69 7.85 2jk6A1 LEU 242 H -0.01 0.63 -0.06 -0.55 8.37 8.39 2jk6A1 LEU 242 HA 0.00 0.11 0.58 -0.75 4.35 4.29 2jk6A1 LEU 242 HB2 -0.01 0.08 0.13 -0.04 1.64 1.79 2jk6A1 LEU 242 HB3 -0.00 -0.05 -0.03 -0.04 1.64 1.51 2jk6A1 LEU 242 HG -0.03 0.16 -0.06 -0.04 1.64 1.67 2jk6A1 LEU 242 HD13 -0.03 -0.05 -0.10 -0.04 0.93 0.71 2jk6A1 LEU 242 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.81 2jk6A1 GLY 243 H -0.02 0.39 -0.19 -0.55 8.43 8.06 2jk6A1 GLY 243 HA2 -0.02 0.29 0.49 -0.51 4.01 4.26 2jk6A1 GLY 243 HA3 -0.03 0.03 0.35 -0.51 4.01 3.86 2jk6A1 ALA 244 H -0.06 0.43 -0.08 -0.55 8.40 8.15 2jk6A1 ALA 244 HA -0.13 0.02 0.37 -0.75 4.34 3.84 2jk6A1 ALA 244 HB3 -0.30 0.01 0.11 -0.04 1.41 1.19 2jk6A1 ASN 245 H -0.08 0.24 -0.64 -0.55 8.53 7.51 2jk6A1 ASN 245 HA -0.09 0.10 0.73 -0.75 4.76 4.75 2jk6A1 ASN 245 HB2 0.03 0.06 0.09 -0.04 2.88 3.01 2jk6A1 ASN 245 HB3 0.01 0.01 0.12 -0.04 2.79 2.88 2jk6A1 ASN 245 HD21 0.03 -0.05 0.01 -0.04 7.03 6.99 2jk6A1 ASN 245 HD22 0.03 0.02 0.03 -0.04 7.74 7.78 2jk6A1 GLY 246 H -0.04 0.48 -0.32 -0.55 8.43 8.01 2jk6A1 GLY 246 HA2 -0.01 -0.02 0.27 -0.51 4.01 3.74 2jk6A1 GLY 246 HA3 0.01 0.15 0.67 -0.51 4.01 4.33 2jk6A1 ILE 247 H 0.01 0.47 -0.02 -0.55 8.25 8.16 2jk6A1 ILE 247 HA 0.05 0.16 0.73 -0.75 4.18 4.36 2jk6A1 ILE 247 HB 0.01 -0.02 -0.04 -0.04 1.89 1.81 2jk6A1 ILE 247 HG12 0.06 -0.00 -0.11 -0.04 1.49 1.39 2jk6A1 ILE 247 HG13 0.04 0.08 -0.14 -0.04 1.21 1.15 2jk6A1 ILE 247 HG23 0.03 -0.04 -0.31 -0.04 0.93 0.58 2jk6A1 ILE 247 HD13 0.03 -0.02 -0.16 -0.04 0.88 0.69 2jk6A1 ARG 248 H 0.05 0.44 0.32 -0.55 8.46 8.72 2jk6A1 ARG 248 HA -0.00 0.10 0.72 -0.75 4.34 4.41 2jk6A1 ARG 248 HB2 -0.00 0.08 0.08 -0.04 1.90 2.01 2jk6A1 ARG 248 HB3 0.04 -0.03 0.21 -0.04 1.80 1.98 2jk6A1 ARG 248 HG2 -0.01 -0.06 -0.31 -0.04 1.67 1.24 2jk6A1 ARG 248 HG3 -0.02 0.04 -0.05 -0.04 1.67 1.59 2jk6A1 ARG 248 HD2 -0.05 0.03 -0.03 -0.04 3.22 3.12 2jk6A1 ARG 248 HD3 -0.02 -0.01 -0.03 -0.04 3.22 3.12 2jk6A1 VAL 249 H -0.00 0.23 0.18 -0.55 8.24 8.10 2jk6A1 VAL 249 HA 0.01 0.09 0.75 -0.75 4.13 4.22 2jk6A1 VAL 249 HB -0.00 0.01 0.15 -0.04 2.12 2.24 2jk6A1 VAL 249 HG13 0.01 -0.03 -0.14 -0.04 0.97 0.77 2jk6A1 VAL 249 HG23 -0.01 0.03 -0.05 -0.04 0.95 0.89 2jk6A1 ARG 250 H 0.00 0.99 0.46 -0.55 8.46 9.36 2jk6A1 ARG 250 HA -0.03 0.16 0.99 -0.75 4.34 4.70 2jk6A1 ARG 250 HB2 -0.08 -0.01 0.03 -0.04 1.90 1.80 2jk6A1 ARG 250 HB3 -0.12 -0.03 -0.05 -0.04 1.80 1.56 2jk6A1 ARG 250 HG2 -0.09 0.01 -0.08 -0.04 1.67 1.47 2jk6A1 ARG 250 HG3 -0.05 0.02 -0.53 -0.04 1.67 1.08 2jk6A1 ARG 250 HD2 -0.06 0.03 -0.14 -0.04 3.22 3.01 2jk6A1 ARG 250 HD3 -0.10 -0.03 -0.17 -0.04 3.22 2.89 2jk6A1 THR 251 H -0.03 0.22 0.17 -0.55 8.28 8.09 2jk6A1 THR 251 HA 0.05 0.15 0.76 -0.75 4.39 4.59 2jk6A1 THR 251 HB 0.01 -0.03 0.07 -0.04 4.32 4.32 2jk6A1 THR 251 HG23 0.01 0.09 -0.02 -0.04 1.22 1.26 2jk6A1 ASN 252 H -0.07 0.37 0.00 -0.55 8.53 8.28 2jk6A1 ASN 252 HA -0.09 0.17 0.18 -0.75 4.76 4.27 2jk6A1 ASN 252 HB2 -0.03 0.12 -0.04 -0.04 2.88 2.89 2jk6A1 ASN 252 HB3 -0.04 -0.03 0.17 -0.04 2.79 2.85 2jk6A1 ASN 252 HD21 -0.01 -0.07 -0.11 -0.04 7.03 6.80 2jk6A1 ASN 252 HD22 -0.02 0.04 -0.15 -0.04 7.74 7.58 2jk6A1 LEU 253 H -0.05 0.53 -0.07 -0.55 8.37 8.23 2jk6A1 LEU 253 HA -0.00 0.10 0.80 -0.75 4.35 4.50 2jk6A1 LEU 253 HB2 -0.10 0.18 -0.42 -0.04 1.64 1.26 2jk6A1 LEU 253 HB3 -0.07 -0.03 -0.29 -0.04 1.64 1.21 2jk6A1 LEU 253 HG -0.08 -0.09 -0.19 -0.04 1.64 1.24 2jk6A1 LEU 253 HD13 -0.12 0.00 0.01 -0.04 0.93 0.78 2jk6A1 LEU 253 HD23 -0.68 0.01 -0.17 -0.04 0.89 0.01 2jk6A1 ASN 254 H 0.16 0.04 0.10 -0.55 8.53 8.29 2jk6A1 ASN 254 HA 0.11 0.14 0.67 -0.75 4.76 4.93 2jk6A1 ASN 254 HB2 0.03 -0.05 -0.37 -0.04 2.88 2.44 2jk6A1 ASN 254 HB3 0.06 0.07 -0.12 -0.04 2.79 2.76 2jk6A1 ASN 254 HD21 -0.00 -0.03 -0.03 -0.04 7.03 6.93 2jk6A1 ASN 254 HD22 -0.01 -0.01 -0.10 -0.04 7.74 7.59 2jk6A1 PRO 255 HA -0.15 0.19 0.65 -0.51 4.44 4.61 2jk6A1 PRO 255 HB2 -0.04 0.01 -0.12 -0.04 2.28 2.10 2jk6A1 PRO 255 HB3 -0.17 0.06 -0.05 -0.04 2.02 1.82 2jk6A1 PRO 255 HG2 -0.01 0.01 -0.04 -0.04 2.03 1.95 2jk6A1 PRO 255 HG3 -0.00 0.04 -0.07 -0.04 2.03 1.95 2jk6A1 PRO 255 HD2 0.05 0.10 0.13 -0.04 3.68 3.93 2jk6A1 PRO 255 HD3 0.16 0.10 0.03 -0.04 3.65 3.90 2jk6A1 THR 256 H -0.04 0.79 0.32 -0.55 8.28 8.80 2jk6A1 THR 256 HA 0.02 0.15 0.75 -0.75 4.39 4.55 2jk6A1 THR 256 HB 0.03 -0.05 -0.07 -0.04 4.32 4.19 2jk6A1 THR 256 HG23 0.00 -0.01 -0.06 -0.04 1.22 1.12 2jk6A1 LYS 257 H 0.03 0.21 0.25 -0.55 8.42 8.36 2jk6A1 LYS 257 HA 0.02 0.20 0.29 -0.75 4.32 4.08 2jk6A1 LYS 257 HB2 0.03 0.06 0.14 -0.04 1.87 2.06 2jk6A1 LYS 257 HB3 -0.01 0.07 -0.08 -0.04 1.79 1.72 2jk6A1 LYS 257 HG2 -0.16 -0.05 -0.08 -0.04 1.46 1.13 2jk6A1 LYS 257 HG3 0.18 -0.02 -0.34 -0.04 1.46 1.24 2jk6A1 LYS 257 HD2 -0.01 0.01 -0.12 -0.04 1.69 1.53 2jk6A1 LYS 257 HD3 -0.10 0.01 -0.07 -0.04 1.68 1.48 2jk6A1 LYS 257 HE2 -0.55 -0.00 -0.09 -0.04 2.99 2.31 2jk6A1 LYS 257 HE3 -0.01 -0.02 -0.15 -0.04 2.99 2.77 2jk6A1 ILE 258 H 0.06 0.69 0.30 -0.55 8.25 8.75 2jk6A1 ILE 258 HA -0.01 0.32 1.11 -0.75 4.18 4.84 2jk6A1 ILE 258 HB 0.08 0.07 0.08 -0.04 1.89 2.07 2jk6A1 ILE 258 HG12 -0.04 -0.01 -0.17 -0.04 1.49 1.23 2jk6A1 ILE 258 HG13 -0.06 0.02 -0.41 -0.04 1.21 0.72 2jk6A1 ILE 258 HG23 -0.07 0.00 -0.19 -0.04 0.93 0.64 2jk6A1 ILE 258 HD13 0.02 0.02 -0.34 -0.04 0.88 0.54 2jk6A1 THR 259 H -0.04 0.64 0.31 -0.55 8.28 8.64 2jk6A1 THR 259 HA -0.29 0.13 0.92 -0.75 4.39 4.40 2jk6A1 THR 259 HB -0.08 0.03 -0.02 -0.04 4.32 4.20 2jk6A1 THR 259 HG23 0.04 -0.00 -0.20 -0.04 1.22 1.02 2jk6A1 LYS 260 H -0.63 0.14 0.13 -0.55 8.42 7.51 2jk6A1 LYS 260 HA -0.28 0.13 0.72 -0.75 4.32 4.14 2jk6A1 LYS 260 HB2 -1.09 -0.07 0.11 -0.04 1.87 0.78 2jk6A1 LYS 260 HB3 -0.22 -0.05 0.13 -0.04 1.79 1.61 2jk6A1 LYS 260 HG2 -0.05 0.15 -0.09 -0.04 1.46 1.42 2jk6A1 LYS 260 HG3 -0.09 0.10 0.03 -0.04 1.46 1.46 2jk6A1 LYS 260 HD2 0.42 -0.09 0.02 -0.04 1.69 2.00 2jk6A1 LYS 260 HD3 0.14 -0.07 -0.00 -0.04 1.68 1.71 2jk6A1 LYS 260 HE2 0.06 0.10 0.10 -0.04 2.99 3.20 2jk6A1 LYS 260 HE3 0.12 0.05 0.06 -0.04 2.99 3.18 2jk6A1 ASN 261 H -0.09 0.23 0.23 -0.55 8.53 8.36 2jk6A1 ASN 261 HA -0.08 0.05 0.52 -0.75 4.76 4.50 2jk6A1 ASN 261 HB2 -0.04 0.01 -0.06 -0.04 2.88 2.75 2jk6A1 ASN 261 HB3 -0.05 -0.07 0.01 -0.04 2.79 2.64 2jk6A1 ASN 261 HD21 0.07 0.02 -0.17 -0.04 7.03 6.91 2jk6A1 ASN 261 HD22 -0.01 -0.04 -0.18 -0.04 7.74 7.47 2jk6A1 GLU 262 H -0.04 0.14 0.15 -0.55 8.60 8.30 2jk6A1 GLU 262 HA -0.02 0.17 0.26 -0.75 4.29 3.95 2jk6A1 GLU 262 HB2 -0.02 -0.03 0.10 -0.04 2.09 2.10 2jk6A1 GLU 262 HB3 -0.01 0.04 0.14 -0.04 1.99 2.11 2jk6A1 GLU 262 HG2 -0.01 0.03 0.05 -0.04 2.34 2.36 2jk6A1 GLU 262 HG3 -0.03 0.05 0.04 -0.04 2.34 2.37 2jk6A1 ASP 263 H -0.03 -0.04 -0.54 -0.55 8.40 7.25 2jk6A1 ASP 263 HA -0.01 0.22 0.81 -0.75 4.63 4.90 2jk6A1 ASP 263 HB2 -0.01 0.05 0.11 -0.04 2.71 2.82 2jk6A1 ASP 263 HB3 -0.02 -0.02 0.01 -0.04 2.70 2.63 2jk6A1 GLY 264 H -0.02 0.49 -0.17 -0.55 8.43 8.18 2jk6A1 GLY 264 HA2 0.01 0.03 0.31 -0.51 4.01 3.84 2jk6A1 GLY 264 HA3 -0.00 0.16 0.84 -0.51 4.01 4.50 2jk6A1 SER 265 H -0.02 -0.03 -0.17 -0.55 8.46 7.69 2jk6A1 SER 265 HA -0.03 0.21 0.40 -0.75 4.49 4.32 2jk6A1 SER 265 HB2 -0.03 -0.00 -0.09 -0.04 3.95 3.78 2jk6A1 SER 265 HB3 -0.03 0.01 -0.00 -0.04 3.93 3.87 2jk6A1 ASN 266 H -0.02 0.59 0.25 -0.55 8.53 8.80 2jk6A1 ASN 266 HA -0.08 0.11 1.08 -0.75 4.76 5.12 2jk6A1 ASN 266 HB2 0.00 -0.01 0.07 -0.04 2.88 2.90 2jk6A1 ASN 266 HB3 -0.05 -0.02 -0.09 -0.04 2.79 2.60 2jk6A1 ASN 266 HD21 0.01 0.08 -0.04 -0.04 7.03 7.05 2jk6A1 ASN 266 HD22 -0.01 -0.04 -0.25 -0.04 7.74 7.40 2jk6A1 HIS 267 H -0.02 0.68 0.37 -0.55 8.41 8.89 2jk6A1 HIS 267 HA -0.14 0.17 0.88 -0.75 4.63 4.78 2jk6A1 HIS 267 HB2 -0.12 -0.06 0.08 -0.04 3.26 3.12 2jk6A1 HIS 267 HB3 -0.14 -0.04 0.16 -0.04 3.20 3.14 2jk6A1 HIS 267 HD2 -0.53 -0.03 -0.19 -0.04 6.97 6.18 2jk6A1 HIS 267 HE1 -0.10 0.02 -0.17 -0.04 7.75 7.46 2jk6A1 VAL 268 H -0.47 0.76 0.38 -0.55 8.24 8.37 2jk6A1 VAL 268 HA -0.23 0.24 1.13 -0.75 4.13 4.51 2jk6A1 VAL 268 HB -0.29 -0.04 0.05 -0.04 2.12 1.81 2jk6A1 VAL 268 HG13 -0.55 -0.00 -0.18 -0.04 0.97 0.20 2jk6A1 VAL 268 HG23 -0.02 0.03 -0.20 -0.04 0.95 0.71 2jk6A1 HIS 269 H -0.10 0.66 0.37 -0.55 8.41 8.80 2jk6A1 HIS 269 HA -0.13 0.24 0.95 -0.75 4.63 4.94 2jk6A1 HIS 269 HB2 -0.06 -0.18 0.20 -0.04 3.26 3.18 2jk6A1 HIS 269 HB3 -0.02 0.10 0.04 -0.04 3.20 3.27 2jk6A1 HIS 269 HD2 -0.01 0.08 -0.16 -0.04 6.97 6.84 2jk6A1 HIS 269 HE1 0.10 0.00 -0.08 -0.04 7.75 7.73 2jk6A1 PHE 270 H 0.15 0.69 0.21 -0.55 8.34 8.85 2jk6A1 PHE 270 HA 0.03 0.21 0.87 -0.75 4.62 4.97 2jk6A1 PHE 270 HB2 0.02 0.07 0.02 -0.04 3.15 3.22 2jk6A1 PHE 270 HB3 0.02 -0.18 0.05 -0.04 3.06 2.91 2jk6A1 PHE 270 HD2 0.01 -0.03 -0.37 -0.04 7.28 6.85 2jk6A1 PHE 270 HE2 0.09 0.01 -0.23 -0.04 7.38 7.20 2jk6A1 PHE 270 HZ 0.07 0.02 -0.19 -0.04 7.32 7.17 2jk6A1 ASN 271 H 0.28 0.14 0.23 -0.55 8.53 8.63 2jk6A1 ASN 271 HA 0.08 0.12 0.46 -0.75 4.76 4.66 2jk6A1 ASN 271 HB2 0.10 -0.18 0.28 -0.04 2.88 3.05 2jk6A1 ASN 271 HB3 0.05 0.06 0.14 -0.04 2.79 3.00 2jk6A1 ASN 271 HD21 0.01 0.01 -0.08 -0.04 7.03 6.92 2jk6A1 ASN 271 HD22 0.02 -0.10 -0.20 -0.04 7.74 7.43 2jk6A1 ASP 272 H 0.09 0.00 -0.10 -0.55 8.40 7.84 2jk6A1 ASP 272 HA 0.03 0.20 0.56 -0.75 4.63 4.67 2jk6A1 ASP 272 HB2 0.01 0.05 0.14 -0.04 2.71 2.87 2jk6A1 ASP 272 HB3 -0.00 0.07 0.08 -0.04 2.70 2.81 2jk6A1 GLY 273 H 0.11 0.26 -0.57 -0.55 8.43 7.69 2jk6A1 GLY 273 HA2 0.08 0.07 0.26 -0.51 4.01 3.92 2jk6A1 GLY 273 HA3 0.06 0.16 0.65 -0.51 4.01 4.37 2jk6A1 THR 274 H 0.12 -0.07 -0.24 -0.55 8.28 7.54 2jk6A1 THR 274 HA 0.08 0.15 0.47 -0.75 4.39 4.33 2jk6A1 THR 274 HB 0.08 0.07 0.01 -0.04 4.32 4.44 2jk6A1 THR 274 HG23 0.02 0.02 -0.06 -0.04 1.22 1.15 2jk6A1 GLU 275 H 0.05 0.24 0.20 -0.55 8.60 8.54 2jk6A1 GLU 275 HA -0.17 0.34 1.02 -0.75 4.29 4.73 2jk6A1 GLU 275 HB2 0.01 -0.03 0.08 -0.04 2.09 2.11 2jk6A1 GLU 275 HB3 -0.32 -0.01 -0.03 -0.04 1.99 1.58 2jk6A1 GLU 275 HG2 0.00 -0.00 -0.08 -0.04 2.34 2.21 2jk6A1 GLU 275 HG3 0.10 0.06 -0.33 -0.04 2.34 2.14 2jk6A1 GLU 276 H -0.38 0.58 0.32 -0.55 8.60 8.58 2jk6A1 GLU 276 HA -0.18 0.13 0.76 -0.75 4.29 4.26 2jk6A1 GLU 276 HB2 0.09 -0.05 -0.33 -0.04 2.09 1.77 2jk6A1 GLU 276 HB3 -0.14 -0.01 -0.13 -0.04 1.99 1.67 2jk6A1 GLU 276 HG2 -0.38 0.08 0.04 -0.04 2.34 2.04 2jk6A1 GLU 276 HG3 -0.12 0.03 0.12 -0.04 2.34 2.34 2jk6A1 ASP 277 H -0.24 0.19 0.17 -0.55 8.40 7.97 2jk6A1 ASP 277 HA -0.16 0.30 1.04 -0.75 4.63 5.06 2jk6A1 ASP 277 HB2 -0.09 0.01 0.13 -0.04 2.71 2.71 2jk6A1 ASP 277 HB3 -0.07 -0.01 -0.07 -0.04 2.70 2.50 2jk6A1 TYR 278 H -0.02 0.75 0.36 -0.55 8.29 8.83 2jk6A1 TYR 278 HA -0.10 0.16 0.92 -0.75 4.56 4.79 2jk6A1 TYR 278 HB2 -0.09 -0.04 -0.01 -0.04 3.06 2.89 2jk6A1 TYR 278 HB3 -0.11 0.13 0.06 -0.04 2.98 3.02 2jk6A1 TYR 278 HD2 -0.09 0.02 -0.37 -0.04 7.15 6.66 2jk6A1 TYR 278 HE2 0.22 0.00 -0.18 -0.04 6.85 6.85 2jk6A1 ASP 279 H -0.05 0.32 0.34 -0.55 8.40 8.46 2jk6A1 ASP 279 HA -0.05 -0.00 0.56 -0.75 4.63 4.38 2jk6A1 ASP 279 HB2 -0.13 -0.08 0.16 -0.04 2.71 2.63 2jk6A1 ASP 279 HB3 -0.10 0.07 0.08 -0.04 2.70 2.70 2jk6A1 GLN 280 H -0.08 0.36 0.02 -0.55 8.47 8.22 2jk6A1 GLN 280 HA -0.08 0.19 0.57 -0.75 4.36 4.28 2jk6A1 GLN 280 HB2 -0.20 -0.00 -0.27 -0.04 2.15 1.64 2jk6A1 GLN 280 HB3 -0.32 -0.06 -0.06 -0.04 2.02 1.54 2jk6A1 GLN 280 HG2 -0.19 -0.02 -0.05 -0.04 2.40 2.11 2jk6A1 GLN 280 HG3 -0.14 -0.09 0.02 -0.04 2.39 2.14 2jk6A1 GLN 280 HE21 -0.04 0.01 0.03 -0.04 6.97 6.93 2jk6A1 GLN 280 HE22 -0.12 -0.03 -0.02 -0.04 7.69 7.48 2jk6A1 VAL 281 H -0.10 0.26 0.14 -0.55 8.24 8.00 2jk6A1 VAL 281 HA -0.21 0.24 1.06 -0.75 4.13 4.48 2jk6A1 VAL 281 HB -0.06 0.02 0.08 -0.04 2.12 2.13 2jk6A1 VAL 281 HG13 -0.11 -0.01 -0.19 -0.04 0.97 0.62 2jk6A1 VAL 281 HG23 -0.10 0.00 -0.22 -0.04 0.95 0.59 2jk6A1 MET 282 H -0.18 0.78 0.36 -0.55 8.47 8.88 2jk6A1 MET 282 HA -0.14 0.30 0.96 -0.75 4.52 4.88 2jk6A1 MET 282 HB2 -0.19 0.01 -0.12 -0.04 2.15 1.81 2jk6A1 MET 282 HB3 -0.15 0.01 0.08 -0.04 2.03 1.94 2jk6A1 MET 282 HG2 -0.20 -0.06 -0.51 -0.04 2.63 1.82 2jk6A1 MET 282 HG3 -0.25 -0.03 -0.36 -0.04 2.56 1.88 2jk6A1 MET 282 HE3 -0.71 -0.02 -0.22 -0.04 2.10 1.10 2jk6A1 LEU 283 H -0.12 0.77 0.43 -0.55 8.37 8.90 2jk6A1 LEU 283 HA -0.06 0.12 0.94 -0.75 4.35 4.60 2jk6A1 LEU 283 HB2 -0.08 0.01 0.23 -0.04 1.64 1.76 2jk6A1 LEU 283 HB3 -0.05 -0.05 0.06 -0.04 1.64 1.57 2jk6A1 LEU 283 HG -0.06 0.11 -0.02 -0.04 1.64 1.64 2jk6A1 LEU 283 HD13 -0.02 -0.00 0.05 -0.04 0.93 0.91 2jk6A1 LEU 283 HD23 -0.03 0.01 -0.09 -0.04 0.89 0.74 2jk6A1 ALA 284 H -0.05 0.75 0.18 -0.55 8.40 8.74 2jk6A1 ALA 284 HA -0.10 0.09 0.81 -0.75 4.34 4.39 2jk6A1 ALA 284 HB3 -0.09 -0.01 0.04 -0.04 1.41 1.31 2jk6A1 ILE 285 H -0.03 0.28 -0.05 -0.55 8.25 7.90 2jk6A1 ILE 285 HA 0.04 0.09 0.87 -0.75 4.18 4.42 2jk6A1 ILE 285 HB 0.04 0.05 0.10 -0.04 1.89 2.04 2jk6A1 ILE 285 HG12 -0.01 -0.06 -0.12 -0.04 1.49 1.27 2jk6A1 ILE 285 HG13 0.00 0.07 -0.22 -0.04 1.21 1.02 2jk6A1 ILE 285 HG23 0.04 -0.02 -0.18 -0.04 0.93 0.73 2jk6A1 ILE 285 HD13 0.02 0.00 -0.35 -0.04 0.88 0.51 2jk6A1 GLY 286 H -0.00 0.05 -0.01 -0.55 8.43 7.92 2jk6A1 GLY 286 HA2 0.05 -0.01 0.31 -0.51 4.01 3.85 2jk6A1 GLY 286 HA3 0.04 0.25 0.68 -0.51 4.01 4.47 2jk6A1 ARG 287 H 0.06 0.24 0.11 -0.55 8.46 8.32 2jk6A1 ARG 287 HA 0.05 0.25 0.91 -0.75 4.34 4.80 2jk6A1 ARG 287 HB2 0.08 -0.03 0.10 -0.04 1.90 2.01 2jk6A1 ARG 287 HB3 0.08 -0.01 -0.11 -0.04 1.80 1.73 2jk6A1 ARG 287 HG2 -0.03 0.06 -0.19 -0.04 1.67 1.47 2jk6A1 ARG 287 HG3 0.01 -0.11 -0.29 -0.04 1.67 1.24 2jk6A1 ARG 287 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.12 2jk6A1 ARG 287 HD3 0.09 -0.02 -0.05 -0.04 3.22 3.21 2jk6A1 VAL 288 H 0.11 0.44 0.20 -0.55 8.24 8.44 2jk6A1 VAL 288 HA 0.08 0.18 0.82 -0.75 4.13 4.46 2jk6A1 VAL 288 HB 0.08 0.25 0.09 -0.04 2.12 2.50 2jk6A1 VAL 288 HG13 0.06 -0.03 0.00 -0.04 0.97 0.97 2jk6A1 VAL 288 HG23 0.13 -0.02 0.01 -0.04 0.95 1.03 2jk6A1 PRO 289 HA 0.10 -0.01 0.37 -0.51 4.44 4.38 2jk6A1 PRO 289 HB2 0.05 0.03 -0.19 -0.04 2.28 2.13 2jk6A1 PRO 289 HB3 0.05 0.01 0.09 -0.04 2.02 2.14 2jk6A1 PRO 289 HG2 0.05 0.04 -0.10 -0.04 2.03 1.98 2jk6A1 PRO 289 HG3 0.06 0.11 0.05 -0.04 2.03 2.20 2jk6A1 PRO 289 HD2 0.06 0.25 0.21 -0.04 3.68 4.16 2jk6A1 PRO 289 HD3 0.07 0.12 0.26 -0.04 3.65 4.06 2jk6A1 ARG 290 H 0.09 0.74 0.27 -0.55 8.46 9.01 2jk6A1 ARG 290 HA 0.05 0.05 0.61 -0.75 4.34 4.29 2jk6A1 ARG 290 HB2 0.14 -0.04 -0.17 -0.04 1.90 1.79 2jk6A1 ARG 290 HB3 0.05 0.03 0.03 -0.04 1.80 1.87 2jk6A1 ARG 290 HG2 -0.08 -0.06 -0.09 -0.04 1.67 1.41 2jk6A1 ARG 290 HG3 -0.12 -0.01 -0.05 -0.04 1.67 1.44 2jk6A1 ARG 290 HD2 0.10 0.05 -0.09 -0.04 3.22 3.24 2jk6A1 ARG 290 HD3 -0.01 0.05 0.01 -0.04 3.22 3.22 2jk6A1 SER 291 H 0.02 0.16 0.17 -0.55 8.46 8.26 2jk6A1 SER 291 HA 0.01 0.17 0.84 -0.75 4.49 4.75 2jk6A1 SER 291 HB2 0.01 -0.05 0.03 -0.04 3.95 3.91 2jk6A1 SER 291 HB3 0.02 -0.02 -0.27 -0.04 3.93 3.63 2jk6A1 GLN 292 H -0.00 0.04 0.17 -0.55 8.47 8.14 2jk6A1 GLN 292 HA -0.01 0.10 0.43 -0.75 4.36 4.13 2jk6A1 GLN 292 HB2 -0.01 0.04 0.09 -0.04 2.15 2.23 2jk6A1 GLN 292 HB3 0.00 0.05 0.13 -0.04 2.02 2.17 2jk6A1 GLN 292 HG2 -0.05 0.04 -0.08 -0.04 2.40 2.27 2jk6A1 GLN 292 HG3 -0.02 0.05 0.01 -0.04 2.39 2.38 2jk6A1 GLN 292 HE21 -0.09 0.01 -0.02 -0.04 6.97 6.83 2jk6A1 GLN 292 HE22 -0.11 0.05 -0.04 -0.04 7.69 7.55 2jk6A1 ALA 293 H -0.03 0.07 -0.34 -0.55 8.40 7.55 2jk6A1 ALA 293 HA -0.05 0.20 0.80 -0.75 4.34 4.54 2jk6A1 ALA 293 HB3 -0.07 0.03 0.07 -0.04 1.41 1.40 2jk6A1 LEU 294 H -0.01 0.32 -0.33 -0.55 8.37 7.80 2jk6A1 LEU 294 HA -0.00 0.37 0.80 -0.75 4.35 4.77 2jk6A1 LEU 294 HB2 -0.00 0.11 0.08 -0.04 1.64 1.78 2jk6A1 LEU 294 HB3 0.00 -0.04 0.08 -0.04 1.64 1.64 2jk6A1 LEU 294 HG 0.00 -0.12 -0.11 -0.04 1.64 1.37 2jk6A1 LEU 294 HD13 0.01 -0.00 0.06 -0.04 0.93 0.96 2jk6A1 LEU 294 HD23 0.01 0.04 -0.07 -0.04 0.89 0.83 2jk6A1 GLN 295 H -0.02 0.15 -0.14 -0.55 8.47 7.92 2jk6A1 GLN 295 HA -0.02 -0.00 0.36 -0.75 4.36 3.95 2jk6A1 GLN 295 HB2 -0.01 0.11 0.02 -0.04 2.15 2.22 2jk6A1 GLN 295 HB3 -0.01 -0.01 0.30 -0.04 2.02 2.26 2jk6A1 GLN 295 HG2 -0.03 -0.05 0.08 -0.04 2.40 2.36 2jk6A1 GLN 295 HG3 -0.04 0.04 -0.06 -0.04 2.39 2.29 2jk6A1 GLN 295 HE21 -0.03 0.04 0.03 -0.04 6.97 6.97 2jk6A1 GLN 295 HE22 -0.04 -0.06 0.04 -0.04 7.69 7.59 2jk6A1 LEU 296 H -0.01 0.15 -0.07 -0.55 8.37 7.89 2jk6A1 LEU 296 HA -0.00 0.13 0.39 -0.75 4.35 4.12 2jk6A1 LEU 296 HB2 -0.00 0.01 0.04 -0.04 1.64 1.65 2jk6A1 LEU 296 HB3 -0.00 0.07 0.02 -0.04 1.64 1.68 2jk6A1 LEU 296 HG -0.00 -0.08 -0.09 -0.04 1.64 1.42 2jk6A1 LEU 296 HD13 0.00 0.02 -0.03 -0.04 0.93 0.88 2jk6A1 LEU 296 HD23 0.00 0.00 -0.06 -0.04 0.89 0.79 2jk6A1 ASP 297 H -0.01 0.05 -0.12 -0.55 8.40 7.77 2jk6A1 ASP 297 HA -0.00 0.10 0.46 -0.75 4.63 4.43 2jk6A1 ASP 297 HB2 -0.00 0.09 -0.05 -0.04 2.71 2.71 2jk6A1 ASP 297 HB3 -0.00 0.03 0.08 -0.04 2.70 2.77 2jk6A1 LYS 298 H -0.00 0.06 -0.27 -0.55 8.42 7.65 2jk6A1 LYS 298 HA 0.00 0.03 0.34 -0.75 4.32 3.94 2jk6A1 LYS 298 HB2 -0.00 0.21 0.11 -0.04 1.87 2.15 2jk6A1 LYS 298 HB3 0.00 0.15 -0.13 -0.04 1.79 1.77 2jk6A1 LYS 298 HG2 -0.00 -0.11 0.06 -0.04 1.46 1.37 2jk6A1 LYS 298 HG3 -0.01 0.01 0.09 -0.04 1.46 1.51 2jk6A1 LYS 298 HD2 0.00 0.14 0.10 -0.04 1.69 1.90 2jk6A1 LYS 298 HD3 0.00 -0.04 0.07 -0.04 1.68 1.67 2jk6A1 LYS 298 HE2 -0.00 0.04 0.07 -0.04 2.99 3.05 2jk6A1 LYS 298 HE3 0.01 -0.02 0.05 -0.04 2.99 2.99 2jk6A1 ALA 299 H -0.00 0.17 -0.33 -0.55 8.40 7.69 2jk6A1 ALA 299 HA 0.01 0.08 0.46 -0.75 4.34 4.14 2jk6A1 ALA 299 HB3 -0.00 -0.03 -0.15 -0.04 1.41 1.19 2jk6A1 GLY 300 H -0.00 0.23 -0.45 -0.55 8.43 7.67 2jk6A1 GLY 300 HA2 -0.00 0.02 0.28 -0.51 4.01 3.80 2jk6A1 GLY 300 HA3 -0.00 0.04 0.42 -0.51 4.01 3.96 2jk6A1 VAL 301 H -0.00 0.50 0.03 -0.55 8.24 8.21 2jk6A1 VAL 301 HA -0.01 0.08 0.87 -0.75 4.13 4.31 2jk6A1 VAL 301 HB -0.00 -0.05 0.03 -0.04 2.12 2.05 2jk6A1 VAL 301 HG13 -0.01 -0.01 -0.08 -0.04 0.97 0.83 2jk6A1 VAL 301 HG23 -0.01 0.01 -0.17 -0.04 0.95 0.74 2jk6A1 ARG 302 H -0.01 0.09 0.13 -0.55 8.46 8.11 2jk6A1 ARG 302 HA -0.00 0.07 0.36 -0.75 4.34 4.01 2jk6A1 ARG 302 HB2 -0.01 -0.02 0.16 -0.04 1.90 1.99 2jk6A1 ARG 302 HB3 -0.00 0.00 -0.08 -0.04 1.80 1.68 2jk6A1 ARG 302 HG2 -0.00 0.02 -0.04 -0.04 1.67 1.60 2jk6A1 ARG 302 HG3 -0.00 0.03 -0.09 -0.04 1.67 1.56 2jk6A1 ARG 302 HD2 -0.01 -0.01 0.02 -0.04 3.22 3.18 2jk6A1 ARG 302 HD3 -0.00 -0.01 -0.02 -0.04 3.22 3.14 2jk6A1 THR 303 H 0.00 0.19 0.13 -0.55 8.28 8.04 2jk6A1 THR 303 HA 0.01 0.32 0.85 -0.75 4.39 4.82 2jk6A1 THR 303 HB 0.01 -0.09 -0.30 -0.04 4.32 3.90 2jk6A1 THR 303 HG23 0.01 0.03 -0.27 -0.04 1.22 0.95 2jk6A1 GLY 304 H 0.01 0.42 0.03 -0.55 8.43 8.35 2jk6A1 GLY 304 HA2 0.01 0.10 0.41 -0.51 4.01 4.01 2jk6A1 GLY 304 HA3 0.01 -0.02 0.36 -0.51 4.01 3.85 2jk6A1 LYS 305 H 0.01 0.17 0.11 -0.55 8.42 8.16 2jk6A1 LYS 305 HA 0.02 0.06 0.46 -0.75 4.32 4.10 2jk6A1 LYS 305 HB2 0.02 0.04 0.18 -0.04 1.87 2.06 2jk6A1 LYS 305 HB3 0.02 0.03 0.04 -0.04 1.79 1.84 2jk6A1 LYS 305 HG2 0.01 0.03 0.02 -0.04 1.46 1.49 2jk6A1 LYS 305 HG3 0.01 -0.06 0.05 -0.04 1.46 1.43 2jk6A1 LYS 305 HD2 0.01 0.02 0.05 -0.04 1.69 1.73 2jk6A1 LYS 305 HD3 0.01 0.01 0.03 -0.04 1.68 1.69 2jk6A1 LYS 305 HE2 0.01 0.01 0.01 -0.04 2.99 2.97 2jk6A1 LYS 305 HE3 0.01 -0.00 0.01 -0.04 2.99 2.97 2jk6A1 ASN 306 H 0.02 0.20 0.23 -0.55 8.53 8.44 2jk6A1 ASN 306 HA 0.03 0.04 0.34 -0.75 4.76 4.42 2jk6A1 ASN 306 HB2 0.04 0.19 -0.00 -0.04 2.88 3.07 2jk6A1 ASN 306 HB3 0.05 -0.03 0.23 -0.04 2.79 3.00 2jk6A1 ASN 306 HD21 0.03 0.01 -0.05 -0.04 7.03 6.98 2jk6A1 ASN 306 HD22 0.03 0.07 -0.18 -0.04 7.74 7.63 2jk6A1 GLY 307 H 0.02 0.31 -0.44 -0.55 8.43 7.77 2jk6A1 GLY 307 HA2 0.02 0.03 0.10 -0.51 4.01 3.65 2jk6A1 GLY 307 HA3 0.03 0.07 0.49 -0.51 4.01 4.08 2jk6A1 ALA 308 H 0.03 0.25 -0.59 -0.55 8.40 7.54 2jk6A1 ALA 308 HA 0.03 0.22 0.34 -0.75 4.34 4.17 2jk6A1 ALA 308 HB3 0.02 0.01 -0.11 -0.04 1.41 1.29 2jk6A1 VAL 309 H 0.02 0.38 0.15 -0.55 8.24 8.23 2jk6A1 VAL 309 HA 0.01 0.12 0.54 -0.75 4.13 4.05 2jk6A1 VAL 309 HB 0.01 -0.09 -0.06 -0.04 2.12 1.94 2jk6A1 VAL 309 HG13 -0.00 0.02 -0.22 -0.04 0.97 0.72 2jk6A1 VAL 309 HG23 0.01 0.01 -0.06 -0.04 0.95 0.87 2jk6A1 GLN 310 H -0.00 0.49 0.30 -0.55 8.47 8.71 2jk6A1 GLN 310 HA -0.00 0.05 0.46 -0.75 4.36 4.11 2jk6A1 GLN 310 HB2 -0.01 -0.03 0.13 -0.04 2.15 2.21 2jk6A1 GLN 310 HB3 -0.01 0.01 -0.01 -0.04 2.02 1.97 2jk6A1 GLN 310 HG2 -0.00 -0.02 -0.01 -0.04 2.40 2.34 2jk6A1 GLN 310 HG3 0.00 0.03 0.05 -0.04 2.39 2.43 2jk6A1 GLN 310 HE21 -0.00 -0.00 -0.07 -0.04 6.97 6.86 2jk6A1 GLN 310 HE22 -0.00 0.04 -0.05 -0.04 7.69 7.63 2jk6A1 VAL 311 H -0.01 0.21 0.22 -0.55 8.24 8.11 2jk6A1 VAL 311 HA -0.02 0.43 0.87 -0.75 4.13 4.66 2jk6A1 VAL 311 HB 0.03 -0.12 -0.04 -0.04 2.12 1.95 2jk6A1 VAL 311 HG13 -0.00 0.04 -0.47 -0.04 0.97 0.50 2jk6A1 VAL 311 HG23 0.01 0.01 -0.01 -0.04 0.95 0.93 2jk6A1 ASP 312 H 0.01 0.39 0.19 -0.55 8.40 8.44 2jk6A1 ASP 312 HA 0.01 0.21 0.82 -0.75 4.63 4.91 2jk6A1 ASP 312 HB2 0.09 -0.10 0.21 -0.04 2.71 2.87 2jk6A1 ASP 312 HB3 0.03 0.11 0.10 -0.04 2.70 2.90 2jk6A1 ALA 313 H 0.04 0.20 0.16 -0.55 8.40 8.25 2jk6A1 ALA 313 HA -0.07 0.10 0.35 -0.75 4.34 3.96 2jk6A1 ALA 313 HB3 -0.15 0.02 0.13 -0.04 1.41 1.37 2jk6A1 TYR 314 H 0.20 -0.04 -0.69 -0.55 8.29 7.21 2jk6A1 TYR 314 HA 0.12 0.27 0.91 -0.75 4.56 5.10 2jk6A1 TYR 314 HB2 0.11 -0.05 0.01 -0.04 3.06 3.09 2jk6A1 TYR 314 HB3 0.17 0.08 0.14 -0.04 2.98 3.32 2jk6A1 TYR 314 HD2 0.05 -0.01 -0.08 -0.04 7.15 7.07 2jk6A1 TYR 314 HE2 0.02 -0.03 -0.21 -0.04 6.85 6.60 2jk6A1 SER 315 H 0.12 0.64 -0.03 -0.55 8.46 8.66 2jk6A1 SER 315 HA 0.10 0.07 0.34 -0.75 4.49 4.24 2jk6A1 SER 315 HB2 0.33 0.21 -0.18 -0.04 3.95 4.27 2jk6A1 SER 315 HB3 0.21 -0.07 0.21 -0.04 3.93 4.24 2jk6A1 LYS 316 H 0.08 -0.12 -0.36 -0.55 8.42 7.47 2jk6A1 LYS 316 HA -0.99 0.19 0.60 -0.75 4.32 3.37 2jk6A1 LYS 316 HB2 -0.10 -0.05 0.03 -0.04 1.87 1.71 2jk6A1 LYS 316 HB3 -0.10 -0.12 0.05 -0.04 1.79 1.58 2jk6A1 LYS 316 HG2 -0.25 0.18 -0.04 -0.04 1.46 1.30 2jk6A1 LYS 316 HG3 -0.64 0.12 0.05 -0.04 1.46 0.94 2jk6A1 LYS 316 HD2 -0.04 -0.13 -0.00 -0.04 1.69 1.48 2jk6A1 LYS 316 HD3 -0.06 -0.03 -0.02 -0.04 1.68 1.52 2jk6A1 LYS 316 HE2 -0.01 0.06 0.11 -0.04 2.99 3.11 2jk6A1 LYS 316 HE3 0.08 0.05 0.06 -0.04 2.99 3.14 2jk6A1 THR 317 H -0.31 0.59 0.33 -0.55 8.28 8.35 2jk6A1 THR 317 HA -0.07 0.33 0.74 -0.75 4.39 4.64 2jk6A1 THR 317 HB -0.04 -0.22 0.21 -0.04 4.32 4.22 2jk6A1 THR 317 HG23 -0.04 0.02 -0.20 -0.04 1.22 0.95 2jk6A1 SER 318 H -0.03 0.06 0.22 -0.55 8.46 8.16 2jk6A1 SER 318 HA -0.03 0.10 0.54 -0.75 4.49 4.34 2jk6A1 SER 318 HB2 -0.01 0.06 0.15 -0.04 3.95 4.11 2jk6A1 SER 318 HB3 -0.02 -0.04 0.20 -0.04 3.93 4.03 2jk6A1 VAL 319 H -0.04 -0.00 -0.15 -0.55 8.24 7.50 2jk6A1 VAL 319 HA -0.02 0.18 0.90 -0.75 4.13 4.43 2jk6A1 VAL 319 HB -0.03 -0.08 0.09 -0.04 2.12 2.06 2jk6A1 VAL 319 HG13 -0.02 -0.05 0.03 -0.04 0.97 0.89 2jk6A1 VAL 319 HG23 -0.01 0.03 -0.08 -0.04 0.95 0.85 2jk6A1 ASP 320 H -0.02 0.15 0.15 -0.55 8.40 8.14 2jk6A1 ASP 320 HA -0.05 0.12 0.13 -0.75 4.63 4.08 2jk6A1 ASP 320 HB2 0.01 -0.03 0.12 -0.04 2.71 2.77 2jk6A1 ASP 320 HB3 0.02 0.04 0.05 -0.04 2.70 2.78 2jk6A1 ASN 321 H -0.00 -0.01 -0.16 -0.55 8.53 7.81 2jk6A1 ASN 321 HA 0.34 0.22 0.90 -0.75 4.76 5.47 2jk6A1 ASN 321 HB2 -0.17 0.14 0.25 -0.04 2.88 3.06 2jk6A1 ASN 321 HB3 -0.06 -0.07 0.06 -0.04 2.79 2.69 2jk6A1 ASN 321 HD21 -0.69 0.55 0.10 -0.04 7.03 6.95 2jk6A1 ASN 321 HD22 -0.45 0.60 0.26 -0.04 7.74 8.11 2jk6A1 ILE 322 H 0.01 0.22 -0.11 -0.55 8.25 7.82 2jk6A1 ILE 322 HA 0.17 0.22 1.07 -0.75 4.18 4.89 2jk6A1 ILE 322 HB -0.01 -0.06 0.12 -0.04 1.89 1.89 2jk6A1 ILE 322 HG12 0.01 0.07 -0.01 -0.04 1.49 1.51 2jk6A1 ILE 322 HG13 -0.02 -0.09 -0.07 -0.04 1.21 0.98 2jk6A1 ILE 322 HG23 0.02 -0.01 -0.07 -0.04 0.93 0.83 2jk6A1 ILE 322 HD13 -0.02 -0.02 -0.08 -0.04 0.88 0.72 2jk6A1 TYR 323 H 0.21 0.78 0.50 -0.55 8.29 9.23 2jk6A1 TYR 323 HA 0.03 0.22 1.00 -0.75 4.56 5.06 2jk6A1 TYR 323 HB2 -0.15 -0.03 0.04 -0.04 3.06 2.88 2jk6A1 TYR 323 HB3 -0.16 -0.04 0.03 -0.04 2.98 2.77 2jk6A1 TYR 323 HD2 0.22 0.00 -0.36 -0.04 7.15 6.97 2jk6A1 TYR 323 HE2 0.15 0.09 -0.05 -0.04 6.85 7.00 2jk6A1 ALA 324 H 0.08 0.68 0.30 -0.55 8.40 8.92 2jk6A1 ALA 324 HA -0.01 0.16 0.86 -0.75 4.34 4.59 2jk6A1 ALA 324 HB3 0.01 -0.00 -0.06 -0.04 1.41 1.32 2jk6A1 ILE 325 H -0.01 0.57 0.34 -0.55 8.25 8.60 2jk6A1 ILE 325 HA 0.04 0.23 0.88 -0.75 4.18 4.58 2jk6A1 ILE 325 HB 0.03 -0.11 0.06 -0.04 1.89 1.82 2jk6A1 ILE 325 HG12 -0.10 0.09 -0.17 -0.04 1.49 1.27 2jk6A1 ILE 325 HG13 -0.01 -0.17 -0.13 -0.04 1.21 0.86 2jk6A1 ILE 325 HG23 0.01 0.04 -0.32 -0.04 0.93 0.62 2jk6A1 ILE 325 HD13 -0.02 0.02 -0.22 -0.04 0.88 0.62 2jk6A1 GLY 326 H 0.06 0.21 0.15 -0.55 8.43 8.30 2jk6A1 GLY 326 HA2 0.05 0.08 0.36 -0.51 4.01 3.99 2jk6A1 GLY 326 HA3 0.04 -0.03 0.44 -0.51 4.01 3.95 2jk6A1 ASP 327 H 0.06 0.08 0.15 -0.55 8.40 8.15 2jk6A1 ASP 327 HA 0.07 0.06 0.12 -0.75 4.63 4.13 2jk6A1 ASP 327 HB2 0.08 -0.16 0.04 -0.04 2.71 2.63 2jk6A1 ASP 327 HB3 0.09 0.14 -0.11 -0.04 2.70 2.78 2jk6A1 VAL 328 H 0.05 0.05 -0.45 -0.55 8.24 7.34 2jk6A1 VAL 328 HA 0.06 0.11 0.44 -0.75 4.13 3.98 2jk6A1 VAL 328 HB 0.04 -0.22 0.05 -0.04 2.12 1.96 2jk6A1 VAL 328 HG13 0.03 0.08 -0.17 -0.04 0.97 0.87 2jk6A1 VAL 328 HG23 0.03 0.01 -0.10 -0.04 0.95 0.84 2jk6A1 THR 329 H 0.04 0.49 -0.26 -0.55 8.28 8.01 2jk6A1 THR 329 HA 0.03 0.22 0.56 -0.75 4.39 4.44 2jk6A1 THR 329 HB 0.02 0.09 0.01 -0.04 4.32 4.40 2jk6A1 THR 329 HG23 0.04 0.03 -0.27 -0.04 1.22 0.97 2jk6A1 ASN 330 H 0.05 0.09 -0.50 -0.55 8.53 7.63 2jk6A1 ASN 330 HA 0.05 -0.02 0.20 -0.75 4.76 4.24 2jk6A1 ASN 330 HB2 0.04 0.02 -0.25 -0.04 2.88 2.65 2jk6A1 ASN 330 HB3 0.03 0.12 0.10 -0.04 2.79 3.00 2jk6A1 ASN 330 HD21 0.05 -0.07 0.04 -0.04 7.03 7.01 2jk6A1 ASN 330 HD22 0.04 0.10 0.03 -0.04 7.74 7.87 2jk6A1 ARG 331 H 0.06 -0.05 -0.37 -0.55 8.46 7.54 2jk6A1 ARG 331 HA 0.02 0.26 0.75 -0.75 4.34 4.62 2jk6A1 ARG 331 HB2 0.11 -0.06 0.02 -0.04 1.90 1.93 2jk6A1 ARG 331 HB3 0.10 -0.08 0.14 -0.04 1.80 1.91 2jk6A1 ARG 331 HG2 -0.09 0.05 -0.03 -0.04 1.67 1.56 2jk6A1 ARG 331 HG3 -0.02 0.12 -0.26 -0.04 1.67 1.47 2jk6A1 ARG 331 HD2 -0.47 -0.04 -0.02 -0.04 3.22 2.65 2jk6A1 ARG 331 HD3 -0.19 0.08 -0.05 -0.04 3.22 3.02 2jk6A1 VAL 332 H 0.18 0.17 0.05 -0.55 8.24 8.09 2jk6A1 VAL 332 HA 0.04 0.17 0.75 -0.75 4.13 4.34 2jk6A1 VAL 332 HB 0.06 -0.04 0.18 -0.04 2.12 2.28 2jk6A1 VAL 332 HG13 -0.01 -0.01 -0.12 -0.04 0.97 0.79 2jk6A1 VAL 332 HG23 0.09 0.05 0.01 -0.04 0.95 1.07 2jk6A1 MET 333 H 0.04 0.28 0.02 -0.55 8.47 8.26 2jk6A1 MET 333 HA 0.06 0.00 0.32 -0.75 4.52 4.15 2jk6A1 MET 333 HB2 0.08 0.04 0.18 -0.04 2.15 2.41 2jk6A1 MET 333 HB3 0.09 -0.08 0.12 -0.04 2.03 2.12 2jk6A1 MET 333 HG2 0.07 -0.11 -0.14 -0.04 2.63 2.41 2jk6A1 MET 333 HG3 0.07 0.20 -0.07 -0.04 2.56 2.72 2jk6A1 MET 333 HE3 0.07 0.04 0.04 -0.04 2.10 2.21 2jk6A1 LEU 334 H 0.02 0.53 0.19 -0.55 8.37 8.56 2jk6A1 LEU 334 HA 0.02 0.18 0.94 -0.75 4.35 4.74 2jk6A1 LEU 334 HB2 -0.01 0.07 -0.04 -0.04 1.64 1.61 2jk6A1 LEU 334 HB3 -0.01 -0.04 -0.02 -0.04 1.64 1.54 2jk6A1 LEU 334 HG -0.03 -0.01 0.06 -0.04 1.64 1.62 2jk6A1 LEU 334 HD13 -0.08 0.04 -0.22 -0.04 0.93 0.62 2jk6A1 LEU 334 HD23 -0.04 0.04 -0.08 -0.04 0.89 0.76 2jk6A1 THR 335 H 0.03 0.22 0.19 -0.55 8.28 8.18 2jk6A1 THR 335 HA 0.03 -0.06 0.49 -0.75 4.39 4.10 2jk6A1 THR 335 HB 0.03 0.11 0.21 -0.04 4.32 4.63 2jk6A1 THR 335 HG23 0.02 0.03 -0.07 -0.04 1.22 1.16 2jk6A1 PRO 336 HA 0.00 0.11 0.40 -0.51 4.44 4.45 2jk6A1 PRO 336 HB2 -0.01 0.11 -0.05 -0.04 2.28 2.28 2jk6A1 PRO 336 HB3 -0.00 0.13 0.08 -0.04 2.02 2.19 2jk6A1 PRO 336 HG2 0.01 0.15 0.06 -0.04 2.03 2.20 2jk6A1 PRO 336 HG3 0.01 0.08 0.06 -0.04 2.03 2.14 2jk6A1 PRO 336 HD2 0.00 0.08 0.01 -0.04 3.68 3.73 2jk6A1 PRO 336 HD3 0.02 0.01 0.20 -0.04 3.65 3.84 2jk6A1 VAL 337 H -0.01 0.08 -0.45 -0.55 8.24 7.30 2jk6A1 VAL 337 HA -0.08 0.17 0.57 -0.75 4.13 4.04 2jk6A1 VAL 337 HB -0.02 0.05 0.20 -0.04 2.12 2.31 2jk6A1 VAL 337 HG13 -0.11 0.00 -0.04 -0.04 0.97 0.79 2jk6A1 VAL 337 HG23 -0.07 0.02 -0.00 -0.04 0.95 0.85 2jk6A1 ALA 338 H 0.01 0.49 0.10 -0.55 8.40 8.45 2jk6A1 ALA 338 HA 0.03 -0.02 0.51 -0.75 4.34 4.10 2jk6A1 ALA 338 HB3 0.03 -0.02 0.15 -0.04 1.41 1.53 2jk6A1 ILE 339 H 0.02 0.59 -0.13 -0.55 8.25 8.17 2jk6A1 ILE 339 HA 0.04 0.06 0.38 -0.75 4.18 3.90 2jk6A1 ILE 339 HB 0.01 0.00 0.12 -0.04 1.89 1.98 2jk6A1 ILE 339 HG12 0.02 0.17 -0.00 -0.04 1.49 1.64 2jk6A1 ILE 339 HG13 0.02 -0.15 -0.10 -0.04 1.21 0.93 2jk6A1 ILE 339 HG23 0.02 0.02 -0.13 -0.04 0.93 0.80 2jk6A1 ILE 339 HD13 0.01 -0.02 -0.09 -0.04 0.88 0.73 2jk6A1 ASN 340 H 0.00 0.48 -0.23 -0.55 8.53 8.24 2jk6A1 ASN 340 HA 0.03 0.06 0.46 -0.75 4.76 4.55 2jk6A1 ASN 340 HB2 -0.02 0.14 0.21 -0.04 2.88 3.16 2jk6A1 ASN 340 HB3 -0.04 0.02 0.20 -0.04 2.79 2.93 2jk6A1 ASN 340 HD21 -0.00 0.03 0.02 -0.04 7.03 7.04 2jk6A1 ASN 340 HD22 -0.01 0.01 0.04 -0.04 7.74 7.74 2jk6A1 GLU 341 H 0.01 0.67 0.01 -0.55 8.60 8.74 2jk6A1 GLU 341 HA 0.07 0.05 0.43 -0.75 4.29 4.08 2jk6A1 GLU 341 HB2 0.05 -0.04 0.21 -0.04 2.09 2.27 2jk6A1 GLU 341 HB3 0.08 0.02 0.04 -0.04 1.99 2.09 2jk6A1 GLU 341 HG2 0.12 0.05 0.06 -0.04 2.34 2.52 2jk6A1 GLU 341 HG3 -0.01 0.13 0.06 -0.04 2.34 2.48 2jk6A1 GLY 342 H 0.06 0.51 -0.22 -0.55 8.43 8.23 2jk6A1 GLY 342 HA2 0.11 0.01 0.42 -0.51 4.01 4.04 2jk6A1 GLY 342 HA3 0.09 0.06 0.30 -0.51 4.01 3.95 2jk6A1 ALA 343 H 0.09 0.51 -0.12 -0.55 8.40 8.33 2jk6A1 ALA 343 HA 0.12 0.03 0.41 -0.75 4.34 4.15 2jk6A1 ALA 343 HB3 0.07 0.03 0.09 -0.04 1.41 1.56 2jk6A1 ALA 344 H 0.09 0.57 -0.15 -0.55 8.40 8.36 2jk6A1 ALA 344 HA 0.07 0.04 0.37 -0.75 4.34 4.07 2jk6A1 ALA 344 HB3 0.08 0.07 0.00 -0.04 1.41 1.51 2jk6A1 PHE 345 H 0.23 0.48 -0.15 -0.55 8.34 8.34 2jk6A1 PHE 345 HA -0.07 0.06 0.43 -0.75 4.62 4.29 2jk6A1 PHE 345 HB2 -0.01 0.01 0.07 -0.04 3.15 3.18 2jk6A1 PHE 345 HB3 -0.00 0.10 0.17 -0.04 3.06 3.28 2jk6A1 PHE 345 HD2 -0.39 0.07 -0.05 -0.04 7.28 6.87 2jk6A1 PHE 345 HE2 -0.50 0.02 -0.15 -0.04 7.38 6.70 2jk6A1 PHE 345 HZ -0.06 0.01 -0.19 -0.04 7.32 7.05 2jk6A1 VAL 346 H 0.12 0.42 -0.25 -0.55 8.24 7.98 2jk6A1 VAL 346 HA -0.27 -0.01 0.38 -0.75 4.13 3.48 2jk6A1 VAL 346 HB 0.09 0.12 0.10 -0.04 2.12 2.39 2jk6A1 VAL 346 HG13 0.08 -0.02 -0.24 -0.04 0.97 0.75 2jk6A1 VAL 346 HG23 0.23 0.06 0.06 -0.04 0.95 1.25 2jk6A1 GLU 347 H 0.00 0.50 -0.11 -0.55 8.60 8.45 2jk6A1 GLU 347 HA -0.01 -0.01 0.34 -0.75 4.29 3.85 2jk6A1 GLU 347 HB2 0.03 0.07 0.14 -0.04 2.09 2.29 2jk6A1 GLU 347 HB3 0.02 0.15 -0.02 -0.04 1.99 2.10 2jk6A1 GLU 347 HG2 0.07 -0.02 0.01 -0.04 2.34 2.36 2jk6A1 GLU 347 HG3 0.07 0.03 0.06 -0.04 2.34 2.45 2jk6A1 THR 348 H -0.09 0.58 -0.28 -0.55 8.28 7.94 2jk6A1 THR 348 HA -0.07 -0.03 0.06 -0.75 4.39 3.60 2jk6A1 THR 348 HB -0.16 0.10 0.19 -0.04 4.32 4.41 2jk6A1 THR 348 HG23 -0.08 -0.02 -0.09 -0.04 1.22 0.99 2jk6A1 VAL 349 H -0.57 0.59 0.05 -0.55 8.24 7.76 2jk6A1 VAL 349 HA -0.48 0.05 0.28 -0.75 4.13 3.23 2jk6A1 VAL 349 HB -1.51 0.03 0.12 -0.04 2.12 0.72 2jk6A1 VAL 349 HG13 -1.75 -0.01 -0.12 -0.04 0.97 -0.94 2jk6A1 VAL 349 HG23 -0.82 -0.01 0.03 -0.04 0.95 0.10 2jk6A1 PHE 350 H -0.48 0.45 0.07 -0.55 8.34 7.83 2jk6A1 PHE 350 HA -0.27 0.18 0.77 -0.75 4.62 4.55 2jk6A1 PHE 350 HB2 -0.55 0.02 0.01 -0.04 3.15 2.59 2jk6A1 PHE 350 HB3 -0.37 0.05 0.04 -0.04 3.06 2.73 2jk6A1 PHE 350 HD2 -0.30 0.03 -0.01 -0.04 7.28 6.96 2jk6A1 PHE 350 HE2 -0.11 -0.03 -0.11 -0.04 7.38 7.08 2jk6A1 PHE 350 HZ -0.00 0.00 -0.19 -0.04 7.32 7.09 2jk6A1 GLY 351 H -0.28 0.29 -0.13 -0.55 8.43 7.77 2jk6A1 GLY 351 HA2 -0.09 0.11 0.63 -0.51 4.01 4.15 2jk6A1 GLY 351 HA3 -0.07 -0.03 0.32 -0.51 4.01 3.72 2jk6A1 GLY 352 H -0.16 0.16 -0.41 -0.55 8.43 7.47 2jk6A1 GLY 352 HA2 -0.09 0.06 0.28 -0.51 4.01 3.74 2jk6A1 GLY 352 HA3 -0.04 -0.00 0.36 -0.51 4.01 3.82 2jk6A1 LYS 353 H -0.05 0.51 -0.35 -0.55 8.42 7.98 2jk6A1 LYS 353 HA -0.01 0.13 0.86 -0.75 4.32 4.55 2jk6A1 LYS 353 HB2 0.01 -0.03 0.04 -0.04 1.87 1.85 2jk6A1 LYS 353 HB3 0.02 -0.05 0.02 -0.04 1.79 1.73 2jk6A1 LYS 353 HG2 0.01 -0.03 -0.06 -0.04 1.46 1.34 2jk6A1 LYS 353 HG3 0.01 0.18 -0.35 -0.04 1.46 1.25 2jk6A1 LYS 353 HD2 0.03 -0.00 -0.02 -0.04 1.69 1.66 2jk6A1 LYS 353 HD3 0.02 -0.08 -0.02 -0.04 1.68 1.56 2jk6A1 LYS 353 HE2 0.02 -0.04 -0.02 -0.04 2.99 2.91 2jk6A1 LYS 353 HE3 0.02 0.10 -0.01 -0.04 2.99 3.06 2jk6A1 PRO 354 HA 0.05 -0.05 0.27 -0.51 4.44 4.21 2jk6A1 PRO 354 HB2 0.06 -0.03 -0.04 -0.04 2.28 2.23 2jk6A1 PRO 354 HB3 -0.15 -0.03 0.02 -0.04 2.02 1.82 2jk6A1 PRO 354 HG2 -0.08 -0.01 0.02 -0.04 2.03 1.93 2jk6A1 PRO 354 HG3 -0.11 0.07 -0.00 -0.04 2.03 1.95 2jk6A1 PRO 354 HD2 -0.01 0.06 0.12 -0.04 3.68 3.81 2jk6A1 PRO 354 HD3 -0.04 0.35 -0.25 -0.04 3.65 3.67 2jk6A1 ARG 355 H 0.28 0.23 0.15 -0.55 8.46 8.56 2jk6A1 ARG 355 HA 0.12 0.05 0.50 -0.75 4.34 4.27 2jk6A1 ARG 355 HB2 0.07 0.21 -0.13 -0.04 1.90 2.00 2jk6A1 ARG 355 HB3 0.07 -0.07 0.02 -0.04 1.80 1.77 2jk6A1 ARG 355 HG2 0.02 0.03 -0.18 -0.04 1.67 1.49 2jk6A1 ARG 355 HG3 0.03 -0.01 0.10 -0.04 1.67 1.75 2jk6A1 ARG 355 HD2 0.02 -0.03 -0.02 -0.04 3.22 3.15 2jk6A1 ARG 355 HD3 0.04 0.06 -0.03 -0.04 3.22 3.25 2jk6A1 ALA 356 H -0.07 0.16 0.11 -0.55 8.40 8.06 2jk6A1 ALA 356 HA -0.27 0.27 0.97 -0.75 4.34 4.56 2jk6A1 ALA 356 HB3 -0.41 -0.02 0.05 -0.04 1.41 0.99 2jk6A1 THR 357 H -0.00 0.22 0.17 -0.55 8.28 8.12 2jk6A1 THR 357 HA -0.01 0.09 0.53 -0.75 4.39 4.25 2jk6A1 THR 357 HB 0.15 -0.02 0.10 -0.04 4.32 4.50 2jk6A1 THR 357 HG23 -0.24 -0.01 -0.19 -0.04 1.22 0.73 2jk6A1 ASP 358 H -0.02 0.18 0.16 -0.55 8.40 8.18 2jk6A1 ASP 358 HA 0.05 0.04 0.65 -0.75 4.63 4.62 2jk6A1 ASP 358 HB2 -0.00 0.07 0.15 -0.04 2.71 2.89 2jk6A1 ASP 358 HB3 -0.02 0.03 0.18 -0.04 2.70 2.85 2jk6A1 HIS 359 H 0.20 0.19 0.20 -0.55 8.41 8.45 2jk6A1 HIS 359 HA -0.01 0.12 0.59 -0.75 4.63 4.57 2jk6A1 HIS 359 HB2 -0.01 0.04 0.09 -0.04 3.26 3.35 2jk6A1 HIS 359 HB3 -0.01 -0.05 0.09 -0.04 3.20 3.18 2jk6A1 HIS 359 HD2 -0.00 -0.17 0.05 -0.04 6.97 6.80 2jk6A1 HIS 359 HE1 -0.01 0.02 -0.01 -0.04 7.75 7.71 2jk6A1 THR 360 H 0.05 0.08 -0.11 -0.55 8.28 7.75 2jk6A1 THR 360 HA 0.03 0.11 0.77 -0.75 4.39 4.54 2jk6A1 THR 360 HB 0.02 0.02 0.04 -0.04 4.32 4.36 2jk6A1 THR 360 HG23 0.03 -0.00 -0.03 -0.04 1.22 1.18 2jk6A1 LYS 361 H -0.00 0.10 0.13 -0.55 8.42 8.09 2jk6A1 LYS 361 HA -0.02 -0.05 0.25 -0.75 4.32 3.75 2jk6A1 LYS 361 HB2 -0.00 0.18 -0.18 -0.04 1.87 1.82 2jk6A1 LYS 361 HB3 -0.01 -0.00 0.08 -0.04 1.79 1.82 2jk6A1 LYS 361 HG2 -0.02 -0.01 -0.01 -0.04 1.46 1.38 2jk6A1 LYS 361 HG3 0.00 -0.10 -0.10 -0.04 1.46 1.22 2jk6A1 LYS 361 HD2 0.00 0.02 -0.08 -0.04 1.69 1.59 2jk6A1 LYS 361 HD3 -0.01 -0.02 -0.26 -0.04 1.68 1.35 2jk6A1 LYS 361 HE2 -0.03 0.01 0.05 -0.04 2.99 2.98 2jk6A1 LYS 361 HE3 0.00 -0.09 0.00 -0.04 2.99 2.86 2jk6A1 VAL 362 H -0.02 0.06 -0.32 -0.55 8.24 7.41 2jk6A1 VAL 362 HA -0.03 0.15 0.68 -0.75 4.13 4.18 2jk6A1 VAL 362 HB -0.03 -0.06 0.03 -0.04 2.12 2.02 2jk6A1 VAL 362 HG13 -0.04 -0.01 -0.15 -0.04 0.97 0.72 2jk6A1 VAL 362 HG23 -0.06 -0.00 -0.23 -0.04 0.95 0.62 2jk6A1 ALA 363 H -0.02 0.17 0.16 -0.55 8.40 8.16 2jk6A1 ALA 363 HA -0.03 0.18 0.84 -0.75 4.34 4.57 2jk6A1 ALA 363 HB3 -0.02 -0.00 0.04 -0.04 1.41 1.38 2jk6A1 CYS 364 H -0.03 0.74 0.42 -0.55 8.50 9.09 2jk6A1 CYS 364 HA -0.02 0.10 0.64 -0.75 4.58 4.55 2jk6A1 CYS 364 HB2 -0.05 -0.09 0.14 -0.04 2.97 2.93 2jk6A1 CYS 364 HB3 -0.05 0.05 -0.18 -0.04 2.97 2.75 2jk6A1 ALA 365 H -0.02 0.17 0.21 -0.55 8.40 8.21 2jk6A1 ALA 365 HA -0.10 0.25 0.95 -0.75 4.34 4.68 2jk6A1 ALA 365 HB3 -0.33 0.02 0.02 -0.04 1.41 1.07 2jk6A1 VAL 366 H -0.18 0.55 0.29 -0.55 8.24 8.36 2jk6A1 VAL 366 HA 0.06 0.13 0.86 -0.75 4.13 4.42 2jk6A1 VAL 366 HB -0.16 -0.01 0.19 -0.04 2.12 2.10 2jk6A1 VAL 366 HG13 -0.01 -0.02 -0.07 -0.04 0.97 0.83 2jk6A1 VAL 366 HG23 -0.11 0.01 -0.11 -0.04 0.95 0.69 2jk6A1 PHE 367 H 0.24 0.16 -0.02 -0.55 8.34 8.17 2jk6A1 PHE 367 HA -0.03 0.18 0.64 -0.75 4.62 4.65 2jk6A1 PHE 367 HB2 -0.01 -0.05 0.09 -0.04 3.15 3.13 2jk6A1 PHE 367 HB3 -0.04 0.10 0.16 -0.04 3.06 3.23 2jk6A1 PHE 367 HD2 -0.00 0.02 -0.05 -0.04 7.28 7.21 2jk6A1 PHE 367 HE2 -0.01 -0.01 -0.05 -0.04 7.38 7.26 2jk6A1 PHE 367 HZ -0.01 0.02 -0.08 -0.04 7.32 7.21 2jk6A1 SER 368 H -0.04 0.09 -0.69 -0.55 8.46 7.27 2jk6A1 SER 368 HA -0.01 0.13 0.44 -0.75 4.49 4.30 2jk6A1 SER 368 HB2 -0.05 0.07 -0.11 -0.04 3.95 3.83 2jk6A1 SER 368 HB3 -0.05 -0.15 -0.16 -0.04 3.93 3.53 2jk6A1 ILE 369 H -0.02 0.21 -0.06 -0.55 8.25 7.84 2jk6A1 ILE 369 HA -0.02 0.05 0.70 -0.75 4.18 4.16 2jk6A1 ILE 369 HB 0.01 0.05 0.11 -0.04 1.89 2.01 2jk6A1 ILE 369 HG12 -0.00 -0.01 -0.15 -0.04 1.49 1.30 2jk6A1 ILE 369 HG13 0.00 -0.11 -0.56 -0.04 1.21 0.51 2jk6A1 ILE 369 HG23 0.00 0.01 -0.07 -0.04 0.93 0.83 2jk6A1 ILE 369 HD13 0.01 0.02 -0.15 -0.04 0.88 0.73 2jk6A1 PRO 370 HA -0.04 0.09 0.26 -0.51 4.44 4.24 2jk6A1 PRO 370 HB2 -0.11 -0.06 -0.07 -0.04 2.28 2.00 2jk6A1 PRO 370 HB3 -0.08 0.01 0.03 -0.04 2.02 1.95 2jk6A1 PRO 370 HG2 -0.10 -0.03 -0.06 -0.04 2.03 1.80 2jk6A1 PRO 370 HG3 -0.10 0.10 0.00 -0.04 2.03 1.99 2jk6A1 PRO 370 HD2 -0.04 0.08 0.21 -0.04 3.68 3.89 2jk6A1 PRO 370 HD3 -0.02 0.16 0.12 -0.04 3.65 3.87 2jk6A1 PRO 371 HA -0.13 0.09 0.56 -0.51 4.44 4.45 2jk6A1 PRO 371 HB2 -0.25 -0.04 -0.01 -0.04 2.28 1.94 2jk6A1 PRO 371 HB3 -0.14 0.07 0.13 -0.04 2.02 2.05 2jk6A1 PRO 371 HG2 -0.08 0.06 0.05 -0.04 2.03 2.02 2jk6A1 PRO 371 HG3 -0.03 -0.03 0.08 -0.04 2.03 2.00 2jk6A1 PRO 371 HD2 -0.06 -0.04 -0.24 -0.04 3.68 3.30 2jk6A1 PRO 371 HD3 -0.03 0.18 0.13 -0.04 3.65 3.89 2jk6A1 ILE 372 H -0.19 0.53 0.41 -0.55 8.25 8.44 2jk6A1 ILE 372 HA -0.14 0.33 1.09 -0.75 4.18 4.71 2jk6A1 ILE 372 HB -0.14 -0.19 0.19 -0.04 1.89 1.71 2jk6A1 ILE 372 HG12 -0.13 0.07 -0.04 -0.04 1.49 1.35 2jk6A1 ILE 372 HG13 -0.16 0.05 -0.16 -0.04 1.21 0.90 2jk6A1 ILE 372 HG23 0.04 0.01 -0.17 -0.04 0.93 0.77 2jk6A1 ILE 372 HD13 -0.33 -0.02 -0.10 -0.04 0.88 0.39 2jk6A1 GLY 373 H -0.08 0.70 0.24 -0.55 8.43 8.75 2jk6A1 GLY 373 HA2 -0.07 0.17 0.84 -0.51 4.01 4.43 2jk6A1 GLY 373 HA3 -0.05 0.10 0.17 -0.51 4.01 3.72 2jk6A1 THR 374 H -0.00 0.67 0.30 -0.55 8.28 8.70 2jk6A1 THR 374 HA -0.02 0.31 1.13 -0.75 4.39 5.05 2jk6A1 THR 374 HB 0.21 -0.06 -0.10 -0.04 4.32 4.33 2jk6A1 THR 374 HG23 0.12 -0.02 -0.11 -0.04 1.22 1.18 2jk6A1 CYS 375 H -0.19 0.67 0.27 -0.55 8.50 8.71 2jk6A1 CYS 375 HA -0.06 0.14 0.57 -0.75 4.58 4.47 2jk6A1 CYS 375 HB2 -0.04 0.02 -0.12 -0.04 2.97 2.79 2jk6A1 CYS 375 HB3 -0.06 -0.03 0.02 -0.04 2.97 2.86 2jk6A1 GLY 376 H -0.06 0.20 0.11 -0.55 8.43 8.14 2jk6A1 GLY 376 HA2 -0.04 -0.02 0.37 -0.51 4.01 3.82 2jk6A1 GLY 376 HA3 -0.08 0.25 1.01 -0.51 4.01 4.67 2jk6A1 MET 377 H -0.02 0.68 0.31 -0.55 8.47 8.89 2jk6A1 MET 377 HA 0.03 0.09 0.60 -0.75 4.52 4.48 2jk6A1 MET 377 HB2 -0.02 0.05 -0.05 -0.04 2.15 2.09 2jk6A1 MET 377 HB3 -0.00 -0.01 -0.10 -0.04 2.03 1.87 2jk6A1 MET 377 HG2 0.02 -0.02 -0.03 -0.04 2.63 2.55 2jk6A1 MET 377 HG3 0.01 0.01 -0.02 -0.04 2.56 2.51 2jk6A1 MET 377 HE3 -0.03 0.04 0.01 -0.04 2.10 2.08 2jk6A1 THR 378 H 0.01 0.16 0.14 -0.55 8.28 8.04 2jk6A1 THR 378 HA -0.13 0.13 0.61 -0.75 4.39 4.25 2jk6A1 THR 378 HB -0.10 -0.10 -0.01 -0.04 4.32 4.06 2jk6A1 THR 378 HG23 -0.13 0.04 -0.23 -0.04 1.22 0.86 2jk6A1 GLU 379 H -0.06 0.15 0.07 -0.55 8.60 8.21 2jk6A1 GLU 379 HA -0.08 0.11 0.26 -0.75 4.29 3.83 2jk6A1 GLU 379 HB2 -0.02 0.10 -0.09 -0.04 2.09 2.04 2jk6A1 GLU 379 HB3 0.04 0.07 0.02 -0.04 1.99 2.08 2jk6A1 GLU 379 HG2 0.00 -0.14 0.09 -0.04 2.34 2.26 2jk6A1 GLU 379 HG3 0.03 0.02 -0.04 -0.04 2.34 2.30 2jk6A1 GLU 380 H -0.08 0.02 -0.25 -0.55 8.60 7.75 2jk6A1 GLU 380 HA -0.19 0.14 0.29 -0.75 4.29 3.78 2jk6A1 GLU 380 HB2 -0.04 -0.09 0.00 -0.04 2.09 1.92 2jk6A1 GLU 380 HB3 -0.03 0.11 -0.07 -0.04 1.99 1.96 2jk6A1 GLU 380 HG2 0.01 0.07 -0.00 -0.04 2.34 2.37 2jk6A1 GLU 380 HG3 0.00 0.08 -0.00 -0.04 2.34 2.38 2jk6A1 GLU 381 H -0.06 0.06 -0.33 -0.55 8.60 7.73 2jk6A1 GLU 381 HA -0.02 0.14 0.50 -0.75 4.29 4.16 2jk6A1 GLU 381 HB2 -0.02 -0.04 0.06 -0.04 2.09 2.05 2jk6A1 GLU 381 HB3 -0.01 -0.00 0.10 -0.04 1.99 2.04 2jk6A1 GLU 381 HG2 0.02 0.03 -0.18 -0.04 2.34 2.17 2jk6A1 GLU 381 HG3 0.00 0.03 -0.00 -0.04 2.34 2.33 2jk6A1 ALA 382 H -0.05 0.52 -0.08 -0.55 8.40 8.25 2jk6A1 ALA 382 HA 0.06 0.04 0.30 -0.75 4.34 3.98 2jk6A1 ALA 382 HB3 -0.10 -0.00 -0.10 -0.04 1.41 1.17 2jk6A1 ALA 383 H -0.18 0.53 -0.40 -0.55 8.40 7.81 2jk6A1 ALA 383 HA -0.03 0.02 0.33 -0.75 4.34 3.91 2jk6A1 ALA 383 HB3 -0.47 0.00 -0.04 -0.04 1.41 0.86 2jk6A1 LYS 384 H -0.02 0.34 -0.37 -0.55 8.42 7.81 2jk6A1 LYS 384 HA 0.02 0.11 0.59 -0.75 4.32 4.28 2jk6A1 LYS 384 HB2 0.00 0.10 0.15 -0.04 1.87 2.08 2jk6A1 LYS 384 HB3 0.01 -0.05 0.06 -0.04 1.79 1.77 2jk6A1 LYS 384 HG2 0.01 -0.00 0.03 -0.04 1.46 1.45 2jk6A1 LYS 384 HG3 -0.02 0.17 0.08 -0.04 1.46 1.65 2jk6A1 LYS 384 HD2 0.00 -0.02 0.01 -0.04 1.69 1.65 2jk6A1 LYS 384 HD3 0.00 -0.04 0.00 -0.04 1.68 1.60 2jk6A1 LYS 384 HE2 -0.01 -0.02 -0.14 -0.04 2.99 2.78 2jk6A1 LYS 384 HE3 -0.01 0.04 0.07 -0.04 2.99 3.05 2jk6A1 ASN 385 H 0.10 0.25 -0.25 -0.55 8.53 8.09 2jk6A1 ASN 385 HA -0.01 0.19 0.78 -0.75 4.76 4.97 2jk6A1 ASN 385 HB2 0.21 -0.01 -0.00 -0.04 2.88 3.04 2jk6A1 ASN 385 HB3 -0.03 -0.04 0.10 -0.04 2.79 2.78 2jk6A1 ASN 385 HD21 0.01 -0.03 -0.05 -0.04 7.03 6.92 2jk6A1 ASN 385 HD22 -0.00 -0.01 -0.01 -0.04 7.74 7.68 2jk6A1 TYR 386 H 0.17 0.31 -0.19 -0.55 8.29 8.02 2jk6A1 TYR 386 HA 0.01 0.14 0.93 -0.75 4.56 4.89 2jk6A1 TYR 386 HB2 0.01 0.20 -0.04 -0.04 3.06 3.19 2jk6A1 TYR 386 HB3 0.03 -0.13 -0.09 -0.04 2.98 2.75 2jk6A1 TYR 386 HD2 0.01 -0.07 -0.11 -0.04 7.15 6.93 2jk6A1 TYR 386 HE2 0.00 -0.02 -0.03 -0.04 6.85 6.76 2jk6A1 GLU 387 H 0.10 0.11 0.14 -0.55 8.60 8.40 2jk6A1 GLU 387 HA 0.06 0.11 0.45 -0.75 4.29 4.16 2jk6A1 GLU 387 HB2 0.07 -0.12 0.21 -0.04 2.09 2.21 2jk6A1 GLU 387 HB3 0.04 0.05 0.10 -0.04 1.99 2.14 2jk6A1 GLU 387 HG2 0.02 0.04 0.07 -0.04 2.34 2.43 2jk6A1 GLU 387 HG3 0.01 0.06 0.07 -0.04 2.34 2.44 2jk6A1 THR 388 H 0.13 0.06 0.11 -0.55 8.28 8.03 2jk6A1 THR 388 HA 0.13 0.41 1.16 -0.75 4.39 5.33 2jk6A1 THR 388 HB 0.09 0.02 -0.04 -0.04 4.32 4.35 2jk6A1 THR 388 HG23 0.03 0.02 -0.07 -0.04 1.22 1.16 2jk6A1 VAL 389 H 0.21 0.74 0.35 -0.55 8.24 8.98 2jk6A1 VAL 389 HA 0.08 0.18 1.14 -0.75 4.13 4.77 2jk6A1 VAL 389 HB 0.22 -0.05 0.08 -0.04 2.12 2.33 2jk6A1 VAL 389 HG13 0.01 0.01 -0.20 -0.04 0.97 0.76 2jk6A1 VAL 389 HG23 0.06 0.01 -0.40 -0.04 0.95 0.57 2jk6A1 ALA 390 H 0.07 0.46 0.24 -0.55 8.40 8.62 2jk6A1 ALA 390 HA -0.28 0.23 1.08 -0.75 4.34 4.62 2jk6A1 ALA 390 HB3 -0.08 0.01 0.02 -0.04 1.41 1.31 2jk6A1 VAL 391 H -0.61 0.63 0.26 -0.55 8.24 7.98 2jk6A1 VAL 391 HA -0.13 0.21 1.06 -0.75 4.13 4.52 2jk6A1 VAL 391 HB -1.23 -0.02 0.03 -0.04 2.12 0.86 2jk6A1 VAL 391 HG13 -0.25 -0.01 -0.19 -0.04 0.97 0.48 2jk6A1 VAL 391 HG23 -0.06 -0.01 -0.21 -0.04 0.95 0.63 2jk6A1 TYR 392 H 0.15 0.80 0.38 -0.55 8.29 9.08 2jk6A1 TYR 392 HA -0.11 0.05 1.01 -0.75 4.56 4.75 2jk6A1 TYR 392 HB2 -0.02 -0.10 0.18 -0.04 3.06 3.08 2jk6A1 TYR 392 HB3 -0.00 0.08 -0.02 -0.04 2.98 2.99 2jk6A1 TYR 392 HD2 -0.05 0.07 -0.32 -0.04 7.15 6.81 2jk6A1 TYR 392 HE2 -0.03 0.14 -0.32 -0.04 6.85 6.59 2jk6A1 ALA 393 H 0.07 0.35 0.23 -0.55 8.40 8.50 2jk6A1 ALA 393 HA 0.11 0.24 1.00 -0.75 4.34 4.93 2jk6A1 ALA 393 HB3 0.08 -0.01 -0.04 -0.04 1.41 1.39 2jk6A1 SER 394 H 0.14 0.64 0.30 -0.55 8.46 9.00 2jk6A1 SER 394 HA 0.14 0.09 0.62 -0.75 4.49 4.59 2jk6A1 SER 394 HB2 0.13 0.10 -0.04 -0.04 3.95 4.09 2jk6A1 SER 394 HB3 0.20 -0.06 0.04 -0.04 3.93 4.06 2jk6A1 SER 395 H 0.15 0.20 0.17 -0.55 8.46 8.43 2jk6A1 SER 395 HA 0.12 0.33 1.10 -0.75 4.49 5.28 2jk6A1 SER 395 HB2 0.08 -0.03 0.09 -0.04 3.95 4.06 2jk6A1 SER 395 HB3 0.05 0.05 -0.01 -0.04 3.93 3.97 2jk6A1 PHE 396 H -0.15 0.70 0.34 -0.55 8.34 8.68 2jk6A1 PHE 396 HA 0.06 0.08 0.51 -0.75 4.62 4.52 2jk6A1 PHE 396 HB2 0.05 -0.00 0.01 -0.04 3.15 3.17 2jk6A1 PHE 396 HB3 0.06 0.12 -0.10 -0.04 3.06 3.09 2jk6A1 PHE 396 HD2 0.07 -0.02 -0.39 -0.04 7.28 6.89 2jk6A1 PHE 396 HE2 0.00 -0.04 -0.10 -0.04 7.38 7.20 2jk6A1 PHE 396 HZ -0.47 0.06 0.02 -0.04 7.32 6.89 2jk6A1 THR 397 H 0.18 0.20 0.10 -0.55 8.28 8.21 2jk6A1 THR 397 HA 0.03 0.23 0.99 -0.75 4.39 4.89 2jk6A1 THR 397 HB 0.09 -0.05 0.09 -0.04 4.32 4.41 2jk6A1 THR 397 HG23 0.10 0.07 -0.20 -0.04 1.22 1.15 2jk6A1 PRO 398 HA 0.17 0.03 0.41 -0.51 4.44 4.54 2jk6A1 PRO 398 HB2 -0.05 -0.04 0.02 -0.04 2.28 2.17 2jk6A1 PRO 398 HB3 0.02 -0.00 0.07 -0.04 2.02 2.07 2jk6A1 PRO 398 HG2 0.14 0.05 0.09 -0.04 2.03 2.28 2jk6A1 PRO 398 HG3 0.10 0.02 0.07 -0.04 2.03 2.17 2jk6A1 PRO 398 HD2 0.22 0.35 0.30 -0.04 3.68 4.50 2jk6A1 PRO 398 HD3 -0.05 0.19 0.25 -0.04 3.65 3.99 2jk6A1 LEU 399 H 0.05 0.14 0.17 -0.55 8.37 8.18 2jk6A1 LEU 399 HA 0.06 0.17 0.31 -0.75 4.35 4.13 2jk6A1 LEU 399 HB2 0.02 -0.03 0.13 -0.04 1.64 1.72 2jk6A1 LEU 399 HB3 0.03 0.04 0.04 -0.04 1.64 1.70 2jk6A1 LEU 399 HG 0.05 -0.01 0.09 -0.04 1.64 1.73 2jk6A1 LEU 399 HD13 0.03 0.01 0.02 -0.04 0.93 0.95 2jk6A1 LEU 399 HD23 0.04 0.02 0.03 -0.04 0.89 0.95 2jk6A1 MET 400 H -0.03 0.07 -0.23 -0.55 8.47 7.73 2jk6A1 MET 400 HA 0.10 0.10 0.37 -0.75 4.52 4.34 2jk6A1 MET 400 HB2 0.14 0.07 0.05 -0.04 2.15 2.37 2jk6A1 MET 400 HB3 0.02 0.02 0.07 -0.04 2.03 2.09 2jk6A1 MET 400 HG2 -0.20 -0.08 -0.06 -0.04 2.63 2.25 2jk6A1 MET 400 HG3 -0.66 0.07 -0.19 -0.04 2.56 1.74 2jk6A1 MET 400 HE3 -0.13 0.01 -0.11 -0.04 2.10 1.83 2jk6A1 HIS 401 H -0.02 0.47 -0.52 -0.55 8.41 7.79 2jk6A1 HIS 401 HA 0.07 -0.03 0.47 -0.75 4.63 4.39 2jk6A1 HIS 401 HB2 0.02 0.19 -0.10 -0.04 3.26 3.33 2jk6A1 HIS 401 HB3 0.01 0.03 -0.27 -0.04 3.20 2.92 2jk6A1 HIS 401 HD2 -0.01 0.09 0.07 -0.04 6.97 7.08 2jk6A1 HIS 401 HE1 0.00 -0.00 -0.03 -0.04 7.75 7.68 2jk6A1 ASN 402 H 0.06 0.51 -0.26 -0.55 8.53 8.29 2jk6A1 ASN 402 HA 0.04 0.09 0.63 -0.75 4.76 4.77 2jk6A1 ASN 402 HB2 0.01 0.08 0.12 -0.04 2.88 3.05 2jk6A1 ASN 402 HB3 0.00 -0.01 0.01 -0.04 2.79 2.75 2jk6A1 ASN 402 HD21 0.05 -0.05 0.03 -0.04 7.03 7.02 2jk6A1 ASN 402 HD22 0.03 0.11 0.16 -0.04 7.74 8.00 2jk6A1 ILE 403 H -0.04 0.15 -0.16 -0.55 8.25 7.65 2jk6A1 ILE 403 HA -0.16 0.13 0.53 -0.75 4.18 3.93 2jk6A1 ILE 403 HB -0.50 0.07 0.14 -0.04 1.89 1.56 2jk6A1 ILE 403 HG12 -0.18 0.04 -0.02 -0.04 1.49 1.28 2jk6A1 ILE 403 HG13 -0.10 -0.08 0.01 -0.04 1.21 0.99 2jk6A1 ILE 403 HG23 -0.98 -0.00 -0.20 -0.04 0.93 -0.29 2jk6A1 ILE 403 HD13 -0.10 -0.01 -0.01 -0.04 0.88 0.72 2jk6A1 SER 404 H 0.05 0.46 0.16 -0.55 8.46 8.59 2jk6A1 SER 404 HA 0.15 0.20 0.37 -0.75 4.49 4.46 2jk6A1 SER 404 HB2 0.30 0.02 0.12 -0.04 3.95 4.35 2jk6A1 SER 404 HB3 0.32 0.10 0.07 -0.04 3.93 4.38 2jk6A1 GLY 405 H 0.08 0.22 -0.56 -0.55 8.43 7.62 2jk6A1 GLY 405 HA2 0.05 0.07 0.25 -0.51 4.01 3.87 2jk6A1 GLY 405 HA3 0.07 0.20 0.71 -0.51 4.01 4.47 2jk6A1 SER 406 H 0.14 0.07 -0.41 -0.55 8.46 7.71 2jk6A1 SER 406 HA 0.16 0.14 0.50 -0.75 4.49 4.54 2jk6A1 SER 406 HB2 -0.17 -0.04 0.13 -0.04 3.95 3.83 2jk6A1 SER 406 HB3 -0.37 -0.05 0.13 -0.04 3.93 3.61 2jk6A1 LYS 407 H 0.08 0.63 0.03 -0.55 8.42 8.60 2jk6A1 LYS 407 HA 0.01 0.07 0.21 -0.75 4.32 3.87 2jk6A1 LYS 407 HB2 0.06 0.03 0.06 -0.04 1.87 1.97 2jk6A1 LYS 407 HB3 0.04 -0.04 0.04 -0.04 1.79 1.79 2jk6A1 LYS 407 HG2 0.05 -0.05 -0.05 -0.04 1.46 1.37 2jk6A1 LYS 407 HG3 0.06 0.08 -0.09 -0.04 1.46 1.47 2jk6A1 LYS 407 HD2 0.04 0.01 0.04 -0.04 1.69 1.73 2jk6A1 LYS 407 HD3 0.03 -0.06 0.01 -0.04 1.68 1.62 2jk6A1 LYS 407 HE2 0.03 -0.02 0.06 -0.04 2.99 3.01 2jk6A1 LYS 407 HE3 0.03 0.06 0.05 -0.04 2.99 3.09 2jk6A1 HIS 408 H 0.18 0.09 -0.42 -0.55 8.41 7.71 2jk6A1 HIS 408 HA -0.04 0.11 0.54 -0.75 4.63 4.49 2jk6A1 HIS 408 HB2 -0.04 -0.00 0.08 -0.04 3.26 3.25 2jk6A1 HIS 408 HB3 -0.03 0.02 0.05 -0.04 3.20 3.18 2jk6A1 HIS 408 HD2 -0.06 -0.02 -0.08 -0.04 6.97 6.77 2jk6A1 HIS 408 HE1 -0.05 0.01 -0.04 -0.04 7.75 7.63 2jk6A1 LYS 409 H -0.53 0.45 -0.35 -0.55 8.42 7.44 2jk6A1 LYS 409 HA -0.33 0.12 0.49 -0.75 4.32 3.84 2jk6A1 LYS 409 HB2 -0.98 0.20 0.19 -0.04 1.87 1.24 2jk6A1 LYS 409 HB3 -0.41 -0.10 0.12 -0.04 1.79 1.36 2jk6A1 LYS 409 HG2 -0.36 0.01 -0.04 -0.04 1.46 1.03 2jk6A1 LYS 409 HG3 -1.12 -0.02 -0.08 -0.04 1.46 0.20 2jk6A1 LYS 409 HD2 -0.40 0.01 0.02 -0.04 1.69 1.28 2jk6A1 LYS 409 HD3 -0.21 -0.09 0.01 -0.04 1.68 1.35 2jk6A1 LYS 409 HE2 -0.07 -0.05 -0.07 -0.04 2.99 2.76 2jk6A1 LYS 409 HE3 -0.05 0.08 -0.06 -0.04 2.99 2.91 2jk6A1 GLU 410 H -0.12 0.47 0.08 -0.55 8.60 8.48 2jk6A1 GLU 410 HA -0.08 0.09 0.62 -0.75 4.29 4.17 2jk6A1 GLU 410 HB2 -0.06 0.06 0.10 -0.04 2.09 2.15 2jk6A1 GLU 410 HB3 -0.08 -0.04 -0.18 -0.04 1.99 1.65 2jk6A1 GLU 410 HG2 -0.02 -0.03 -0.23 -0.04 2.34 2.02 2jk6A1 GLU 410 HG3 -0.02 0.07 -0.10 -0.04 2.34 2.25 2jk6A1 PHE 411 H -0.25 0.60 0.47 -0.55 8.34 8.61 2jk6A1 PHE 411 HA -0.23 0.27 1.02 -0.75 4.62 4.92 2jk6A1 PHE 411 HB2 -0.47 -0.04 0.19 -0.04 3.15 2.79 2jk6A1 PHE 411 HB3 -1.61 -0.04 0.14 -0.04 3.06 1.50 2jk6A1 PHE 411 HD2 -0.09 -0.06 -0.15 -0.04 7.28 6.94 2jk6A1 PHE 411 HE2 0.03 0.16 -0.24 -0.04 7.38 7.29 2jk6A1 PHE 411 HZ 0.01 -0.10 -0.25 -0.04 7.32 6.94 2jk6A1 MET 412 H -0.55 0.63 0.38 -0.55 8.47 8.38 2jk6A1 MET 412 HA 0.03 0.28 1.11 -0.75 4.52 5.19 2jk6A1 MET 412 HB2 -0.08 0.06 -0.13 -0.04 2.15 1.95 2jk6A1 MET 412 HB3 -0.13 -0.12 0.11 -0.04 2.03 1.85 2jk6A1 MET 412 HG2 0.03 -0.02 -0.32 -0.04 2.63 2.28 2jk6A1 MET 412 HG3 0.04 0.05 -0.10 -0.04 2.56 2.51 2jk6A1 MET 412 HE3 0.00 0.03 -0.11 -0.04 2.10 1.99 2jk6A1 ILE 413 H 0.19 0.76 0.35 -0.55 8.25 9.00 2jk6A1 ILE 413 HA 0.13 0.23 0.96 -0.75 4.18 4.75 2jk6A1 ILE 413 HB 0.23 0.03 0.03 -0.04 1.89 2.14 2jk6A1 ILE 413 HG12 0.42 -0.01 -0.12 -0.04 1.49 1.73 2jk6A1 ILE 413 HG13 0.56 -0.04 -0.40 -0.04 1.21 1.28 2jk6A1 ILE 413 HG23 0.16 -0.02 -0.18 -0.04 0.93 0.85 2jk6A1 ILE 413 HD13 0.28 0.03 -0.24 -0.04 0.88 0.90 2jk6A1 ARG 414 H 0.13 0.52 0.24 -0.55 8.46 8.81 2jk6A1 ARG 414 HA 0.13 0.33 0.93 -0.75 4.34 4.97 2jk6A1 ARG 414 HB2 0.17 -0.12 0.15 -0.04 1.90 2.05 2jk6A1 ARG 414 HB3 0.11 0.03 0.06 -0.04 1.80 1.96 2jk6A1 ARG 414 HG2 0.09 0.13 -0.04 -0.04 1.67 1.81 2jk6A1 ARG 414 HG3 0.08 -0.01 -0.41 -0.04 1.67 1.30 2jk6A1 ARG 414 HD2 0.05 -0.03 -0.17 -0.04 3.22 3.03 2jk6A1 ARG 414 HD3 0.05 -0.15 -0.07 -0.04 3.22 3.00 2jk6A1 ILE 415 H 0.14 0.40 0.17 -0.55 8.25 8.41 2jk6A1 ILE 415 HA 0.05 0.24 1.11 -0.75 4.18 4.82 2jk6A1 ILE 415 HB -0.04 -0.03 0.11 -0.04 1.89 1.89 2jk6A1 ILE 415 HG12 0.12 -0.00 -0.04 -0.04 1.49 1.53 2jk6A1 ILE 415 HG13 0.10 -0.13 -0.20 -0.04 1.21 0.95 2jk6A1 ILE 415 HG23 -0.18 0.01 -0.08 -0.04 0.93 0.65 2jk6A1 ILE 415 HD13 0.08 0.02 -0.01 -0.04 0.88 0.92 2jk6A1 ILE 416 H 0.01 0.76 0.37 -0.55 8.25 8.85 2jk6A1 ILE 416 HA 0.04 0.24 1.04 -0.75 4.18 4.75 2jk6A1 ILE 416 HB 0.02 -0.07 0.13 -0.04 1.89 1.93 2jk6A1 ILE 416 HG12 0.21 0.06 -0.17 -0.04 1.49 1.55 2jk6A1 ILE 416 HG13 0.17 0.02 -0.09 -0.04 1.21 1.26 2jk6A1 ILE 416 HG23 -0.03 -0.00 -0.21 -0.04 0.93 0.65 2jk6A1 ILE 416 HD13 0.05 0.00 -0.16 -0.04 0.88 0.73 2jk6A1 THR 417 H 0.03 0.66 0.33 -0.55 8.28 8.76 2jk6A1 THR 417 HA -0.10 0.11 1.22 -0.75 4.39 4.87 2jk6A1 THR 417 HB -0.02 0.11 -0.23 -0.04 4.32 4.14 2jk6A1 THR 417 HG23 -0.13 -0.02 -0.25 -0.04 1.22 0.78 2jk6A1 ASN 418 H -0.13 0.59 0.23 -0.55 8.53 8.67 2jk6A1 ASN 418 HA -0.06 0.19 0.96 -0.75 4.76 5.10 2jk6A1 ASN 418 HB2 -0.36 0.07 0.15 -0.04 2.88 2.69 2jk6A1 ASN 418 HB3 -0.06 0.02 0.24 -0.04 2.79 2.95 2jk6A1 ASN 418 HD21 0.12 0.06 0.04 -0.04 7.03 7.21 2jk6A1 ASN 418 HD22 0.09 0.05 0.06 -0.04 7.74 7.90 2jk6A1 GLU 419 H 0.09 0.66 0.23 -0.55 8.60 9.03 2jk6A1 GLU 419 HA 0.12 0.07 0.25 -0.75 4.29 3.98 2jk6A1 GLU 419 HB2 0.24 -0.01 -0.17 -0.04 2.09 2.11 2jk6A1 GLU 419 HB3 0.14 -0.01 -0.27 -0.04 1.99 1.82 2jk6A1 GLU 419 HG2 0.05 -0.01 -0.16 -0.04 2.34 2.18 2jk6A1 GLU 419 HG3 0.06 0.03 -0.41 -0.04 2.34 1.99 2jk6A1 SER 420 H 0.09 0.08 -0.11 -0.55 8.46 7.97 2jk6A1 SER 420 HA 0.05 0.08 0.37 -0.75 4.49 4.24 2jk6A1 SER 420 HB2 0.08 -0.05 0.09 -0.04 3.95 4.03 2jk6A1 SER 420 HB3 0.05 0.07 0.05 -0.04 3.93 4.07 2jk6A1 ASN 421 H 0.05 0.02 -0.12 -0.55 8.53 7.94 2jk6A1 ASN 421 HA 0.03 0.31 1.00 -0.75 4.76 5.34 2jk6A1 ASN 421 HB2 0.02 0.06 0.14 -0.04 2.88 3.06 2jk6A1 ASN 421 HB3 0.04 -0.01 -0.07 -0.04 2.79 2.70 2jk6A1 ASN 421 HD21 0.02 0.03 -0.02 -0.04 7.03 7.01 2jk6A1 ASN 421 HD22 0.02 0.06 0.00 -0.04 7.74 7.78 2jk6A1 GLY 422 H 0.03 0.41 0.02 -0.55 8.43 8.35 2jk6A1 GLY 422 HA2 0.02 0.04 0.29 -0.51 4.01 3.85 2jk6A1 GLY 422 HA3 -0.01 0.08 0.52 -0.51 4.01 4.09 2jk6A1 GLU 423 H -0.02 0.01 -0.18 -0.55 8.60 7.87 2jk6A1 GLU 423 HA -0.09 0.18 0.42 -0.75 4.29 4.04 2jk6A1 GLU 423 HB2 -0.01 0.01 0.03 -0.04 2.09 2.08 2jk6A1 GLU 423 HB3 -0.04 -0.15 0.06 -0.04 1.99 1.81 2jk6A1 GLU 423 HG2 -0.06 0.16 -0.12 -0.04 2.34 2.29 2jk6A1 GLU 423 HG3 -0.03 0.13 -0.10 -0.04 2.34 2.30 2jk6A1 VAL 424 H -0.17 0.80 0.38 -0.55 8.24 8.70 2jk6A1 VAL 424 HA -0.18 0.02 0.69 -0.75 4.13 3.90 2jk6A1 VAL 424 HB -0.24 0.07 0.05 -0.04 2.12 1.96 2jk6A1 VAL 424 HG13 -0.18 -0.02 -0.20 -0.04 0.97 0.54 2jk6A1 VAL 424 HG23 -0.70 -0.03 -0.21 -0.04 0.95 -0.03 2jk6A1 LEU 425 H -0.13 0.64 0.56 -0.55 8.37 8.90 2jk6A1 LEU 425 HA -0.10 0.17 0.68 -0.75 4.35 4.34 2jk6A1 LEU 425 HB2 -0.15 0.01 -0.10 -0.04 1.64 1.35 2jk6A1 LEU 425 HB3 -0.18 -0.08 0.03 -0.04 1.64 1.36 2jk6A1 LEU 425 HG -0.25 -0.02 -0.01 -0.04 1.64 1.33 2jk6A1 LEU 425 HD13 -0.71 -0.01 -0.20 -0.04 0.93 -0.04 2jk6A1 LEU 425 HD23 -0.29 0.02 -0.12 -0.04 0.89 0.45 2jk6A1 GLY 426 H -0.08 0.47 0.32 -0.55 8.43 8.59 2jk6A1 GLY 426 HA2 -0.14 0.19 0.83 -0.51 4.01 4.37 2jk6A1 GLY 426 HA3 -0.04 0.17 0.39 -0.51 4.01 4.02 2jk6A1 VAL 427 H -0.33 0.84 0.32 -0.55 8.24 8.52 2jk6A1 VAL 427 HA -0.10 0.22 0.89 -0.75 4.13 4.38 2jk6A1 VAL 427 HB -0.05 -0.01 0.11 -0.04 2.12 2.12 2jk6A1 VAL 427 HG13 0.04 -0.01 -0.17 -0.04 0.97 0.79 2jk6A1 VAL 427 HG23 0.10 0.00 -0.13 -0.04 0.95 0.87 2jk6A1 HIS 428 H 0.04 0.58 0.26 -0.55 8.41 8.74 2jk6A1 HIS 428 HA 0.03 0.18 1.10 -0.75 4.63 5.19 2jk6A1 HIS 428 HB2 0.03 -0.03 0.14 -0.04 3.26 3.37 2jk6A1 HIS 428 HB3 0.04 -0.05 0.03 -0.04 3.20 3.17 2jk6A1 HIS 428 HD2 0.02 0.14 -0.16 -0.04 6.97 6.92 2jk6A1 HIS 428 HE1 -0.04 0.08 -0.52 -0.04 7.75 7.22 2jk6A1 MET 429 H 0.04 0.73 0.39 -0.55 8.47 9.08 2jk6A1 MET 429 HA -0.04 0.43 1.23 -0.75 4.52 5.38 2jk6A1 MET 429 HB2 -0.01 -0.03 0.15 -0.04 2.15 2.22 2jk6A1 MET 429 HB3 -0.13 0.04 -0.00 -0.04 2.03 1.90 2jk6A1 MET 429 HG2 0.16 0.08 -0.01 -0.04 2.63 2.83 2jk6A1 MET 429 HG3 0.07 -0.12 -0.34 -0.04 2.56 2.13 2jk6A1 MET 429 HE3 0.05 0.01 -0.11 -0.04 2.10 2.01 2jk6A1 LEU 430 H -0.35 0.60 0.39 -0.55 8.37 8.47 2jk6A1 LEU 430 HA -0.25 0.21 0.97 -0.75 4.35 4.52 2jk6A1 LEU 430 HB2 -0.14 -0.10 -0.02 -0.04 1.64 1.33 2jk6A1 LEU 430 HB3 -0.22 -0.04 0.14 -0.04 1.64 1.49 2jk6A1 LEU 430 HG -0.20 0.09 -0.20 -0.04 1.64 1.28 2jk6A1 LEU 430 HD13 -0.14 0.03 -0.13 -0.04 0.93 0.65 2jk6A1 LEU 430 HD23 -0.10 0.02 -0.15 -0.04 0.89 0.62 2jk6A1 GLY 431 H -0.28 0.65 0.18 -0.55 8.43 8.43 2jk6A1 GLY 431 HA2 -0.19 0.06 0.29 -0.51 4.01 3.65 2jk6A1 GLY 431 HA3 -0.55 0.17 0.88 -0.51 4.01 4.01 2jk6A1 ASP 432 H 0.10 0.18 0.13 -0.55 8.40 8.27 2jk6A1 ASP 432 HA 0.03 0.03 0.47 -0.75 4.63 4.41 2jk6A1 ASP 432 HB2 0.12 0.02 0.13 -0.04 2.71 2.93 2jk6A1 ASP 432 HB3 0.06 0.02 0.04 -0.04 2.70 2.78 2jk6A1 SER 433 H 0.05 0.17 0.18 -0.55 8.46 8.31 2jk6A1 SER 433 HA 0.05 0.01 0.34 -0.75 4.49 4.13 2jk6A1 SER 433 HB2 0.10 0.27 0.13 -0.04 3.95 4.41 2jk6A1 SER 433 HB3 0.04 -0.07 0.16 -0.04 3.93 4.02 2jk6A1 ALA 434 H 0.05 0.45 -0.42 -0.55 8.40 7.94 2jk6A1 ALA 434 HA 0.12 0.01 0.26 -0.75 4.34 3.97 2jk6A1 ALA 434 HB3 -0.13 0.02 -0.21 -0.04 1.41 1.05 2jk6A1 PRO 435 HA -0.11 0.09 0.46 -0.51 4.44 4.36 2jk6A1 PRO 435 HB2 -0.01 0.05 -0.11 -0.04 2.28 2.16 2jk6A1 PRO 435 HB3 -0.34 0.00 -0.01 -0.04 2.02 1.63 2jk6A1 PRO 435 HG2 -0.43 0.07 -0.04 -0.04 2.03 1.59 2jk6A1 PRO 435 HG3 -0.59 0.11 -0.08 -0.04 2.03 1.43 2jk6A1 PRO 435 HD2 -0.05 -0.03 -0.13 -0.04 3.68 3.43 2jk6A1 PRO 435 HD3 -0.15 0.18 -0.10 -0.04 3.65 3.54 2jk6A1 GLU 436 H 0.01 0.15 -0.43 -0.55 8.60 7.79 2jk6A1 GLU 436 HA 0.02 0.09 0.42 -0.75 4.29 4.07 2jk6A1 GLU 436 HB2 0.02 0.11 0.10 -0.04 2.09 2.29 2jk6A1 GLU 436 HB3 0.01 0.03 -0.00 -0.04 1.99 1.99 2jk6A1 GLU 436 HG2 0.06 -0.10 -0.04 -0.04 2.34 2.21 2jk6A1 GLU 436 HG3 0.03 0.03 0.01 -0.04 2.34 2.37 2jk6A1 ILE 437 H 0.03 0.53 -0.04 -0.55 8.25 8.22 2jk6A1 ILE 437 HA -0.00 0.06 0.39 -0.75 4.18 3.87 2jk6A1 ILE 437 HB 0.08 0.05 0.06 -0.04 1.89 2.04 2jk6A1 ILE 437 HG12 0.00 -0.06 -0.01 -0.04 1.49 1.38 2jk6A1 ILE 437 HG13 0.04 0.08 0.03 -0.04 1.21 1.31 2jk6A1 ILE 437 HG23 0.01 -0.01 -0.13 -0.04 0.93 0.76 2jk6A1 ILE 437 HD13 0.10 -0.02 -0.20 -0.04 0.88 0.72 2jk6A1 ILE 438 H 0.01 0.53 -0.17 -0.55 8.25 8.07 2jk6A1 ILE 438 HA -0.01 0.00 0.16 -0.75 4.18 3.58 2jk6A1 ILE 438 HB -0.01 0.08 0.00 -0.04 1.89 1.92 2jk6A1 ILE 438 HG12 -0.03 0.01 -0.36 -0.04 1.49 1.08 2jk6A1 ILE 438 HG13 -0.02 -0.05 -0.14 -0.04 1.21 0.95 2jk6A1 ILE 438 HG23 -0.03 0.04 -0.10 -0.04 0.93 0.80 2jk6A1 ILE 438 HD13 -0.02 0.02 -0.20 -0.04 0.88 0.64 2jk6A1 GLN 439 H -0.00 0.31 -0.59 -0.55 8.47 7.65 2jk6A1 GLN 439 HA -0.01 0.01 0.38 -0.75 4.36 3.99 2jk6A1 GLN 439 HB2 0.01 0.04 0.08 -0.04 2.15 2.23 2jk6A1 GLN 439 HB3 -0.00 0.15 0.10 -0.04 2.02 2.24 2jk6A1 GLN 439 HG2 0.00 0.01 -0.03 -0.04 2.40 2.34 2jk6A1 GLN 439 HG3 -0.01 0.00 -0.26 -0.04 2.39 2.08 2jk6A1 GLN 439 HE21 -0.01 -0.01 0.03 -0.04 6.97 6.94 2jk6A1 GLN 439 HE22 -0.01 -0.04 0.12 -0.04 7.69 7.72 2jk6A1 SER 440 H -0.02 0.35 -0.05 -0.55 8.46 8.19 2jk6A1 SER 440 HA -0.02 0.06 0.54 -0.75 4.49 4.32 2jk6A1 SER 440 HB2 -0.04 0.01 0.03 -0.04 3.95 3.91 2jk6A1 SER 440 HB3 -0.02 0.01 0.08 -0.04 3.93 3.95 2jk6A1 VAL 441 H -0.02 0.27 -0.39 -0.55 8.24 7.55 2jk6A1 VAL 441 HA -0.03 0.07 0.57 -0.75 4.13 3.98 2jk6A1 VAL 441 HB -0.01 0.12 0.08 -0.04 2.12 2.27 2jk6A1 VAL 441 HG13 0.07 -0.02 -0.16 -0.04 0.97 0.82 2jk6A1 VAL 441 HG23 -0.06 0.03 -0.12 -0.04 0.95 0.76 2jk6A1 GLY 442 H -0.01 0.57 -0.12 -0.55 8.43 8.33 2jk6A1 GLY 442 HA2 -0.00 -0.01 0.32 -0.51 4.01 3.81 2jk6A1 GLY 442 HA3 -0.01 0.05 0.33 -0.51 4.01 3.87 2jk6A1 ILE 443 H -0.00 0.24 -0.37 -0.55 8.25 7.56 2jk6A1 ILE 443 HA -0.00 0.07 0.55 -0.75 4.18 4.05 2jk6A1 ILE 443 HB -0.01 0.13 0.11 -0.04 1.89 2.08 2jk6A1 ILE 443 HG12 -0.00 -0.01 0.02 -0.04 1.49 1.46 2jk6A1 ILE 443 HG13 -0.01 0.10 0.07 -0.04 1.21 1.34 2jk6A1 ILE 443 HG23 -0.00 -0.00 -0.09 -0.04 0.93 0.80 2jk6A1 ILE 443 HD13 -0.01 -0.01 -0.00 -0.04 0.88 0.82 2jk6A1 CYS 444 H 0.01 0.34 -0.16 -0.55 8.50 8.15 2jk6A1 CYS 444 HA 0.04 0.04 0.39 -0.75 4.58 4.29 2jk6A1 CYS 444 HB2 0.10 0.21 0.21 -0.04 2.97 3.45 2jk6A1 CYS 444 HB3 0.20 -0.08 -0.04 -0.04 2.97 3.00 2jk6A1 MET 445 H 0.04 0.53 -0.10 -0.55 8.47 8.39 2jk6A1 MET 445 HA 0.01 -0.05 0.40 -0.75 4.52 4.13 2jk6A1 MET 445 HB2 0.00 0.06 0.03 -0.04 2.15 2.20 2jk6A1 MET 445 HB3 -0.01 -0.00 -0.02 -0.04 2.03 1.95 2jk6A1 MET 445 HG2 -0.01 0.05 -0.07 -0.04 2.63 2.55 2jk6A1 MET 445 HG3 0.07 0.05 -0.07 -0.04 2.56 2.58 2jk6A1 MET 445 HE3 -0.06 -0.00 -0.33 -0.04 2.10 1.68 2jk6A1 LYS 446 H 0.01 0.42 -0.31 -0.55 8.42 7.99 2jk6A1 LYS 446 HA 0.00 0.00 0.53 -0.75 4.32 4.10 2jk6A1 LYS 446 HB2 -0.00 0.13 0.22 -0.04 1.87 2.18 2jk6A1 LYS 446 HB3 0.00 0.17 0.19 -0.04 1.79 2.11 2jk6A1 LYS 446 HG2 0.00 -0.05 0.02 -0.04 1.46 1.39 2jk6A1 LYS 446 HG3 0.00 -0.01 -0.05 -0.04 1.46 1.36 2jk6A1 LYS 446 HD2 0.00 -0.02 0.08 -0.04 1.69 1.71 2jk6A1 LYS 446 HD3 -0.01 0.04 0.06 -0.04 1.68 1.73 2jk6A1 LYS 446 HE2 -0.00 -0.02 0.02 -0.04 2.99 2.95 2jk6A1 LYS 446 HE3 0.00 -0.01 0.03 -0.04 2.99 2.97 2jk6A1 MET 447 H 0.01 0.42 -0.24 -0.55 8.47 8.11 2jk6A1 MET 447 HA 0.01 0.05 0.49 -0.75 4.52 4.31 2jk6A1 MET 447 HB2 0.01 0.10 0.09 -0.04 2.15 2.31 2jk6A1 MET 447 HB3 0.01 -0.07 0.13 -0.04 2.03 2.06 2jk6A1 MET 447 HG2 0.01 -0.05 0.01 -0.04 2.63 2.55 2jk6A1 MET 447 HG3 0.01 0.23 0.06 -0.04 2.56 2.82 2jk6A1 MET 447 HE3 0.00 -0.01 -0.00 -0.04 2.10 2.05 2jk6A1 GLY 448 H 0.00 0.32 -0.88 -0.55 8.43 7.33 2jk6A1 GLY 448 HA2 -0.01 0.06 0.30 -0.51 4.01 3.85 2jk6A1 GLY 448 HA3 -0.00 -0.02 0.40 -0.51 4.01 3.87 2jk6A1 ALA 449 H -0.01 0.20 -0.04 -0.55 8.40 8.01 2jk6A1 ALA 449 HA -0.02 0.08 0.34 -0.75 4.34 3.99 2jk6A1 ALA 449 HB3 0.06 0.00 -0.09 -0.04 1.41 1.34 2jk6A1 LYS 450 H -0.09 0.13 0.19 -0.55 8.42 8.11 2jk6A1 LYS 450 HA -0.17 0.17 0.92 -0.75 4.32 4.48 2jk6A1 LYS 450 HB2 -0.08 -0.05 0.08 -0.04 1.87 1.78 2jk6A1 LYS 450 HB3 -0.09 -0.04 0.04 -0.04 1.79 1.66 2jk6A1 LYS 450 HG2 -0.05 -0.07 -0.35 -0.04 1.46 0.94 2jk6A1 LYS 450 HG3 -0.05 0.12 -0.21 -0.04 1.46 1.28 2jk6A1 LYS 450 HD2 -0.03 -0.03 0.01 -0.04 1.69 1.60 2jk6A1 LYS 450 HD3 -0.02 0.08 0.05 -0.04 1.68 1.75 2jk6A1 LYS 450 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 2jk6A1 LYS 450 HE3 -0.01 0.06 -0.01 -0.04 2.99 2.99 2jk6A1 ILE 451 H -0.23 0.82 0.28 -0.55 8.25 8.58 2jk6A1 ILE 451 HA -0.60 0.04 0.41 -0.75 4.18 3.28 2jk6A1 ILE 451 HB -0.34 0.00 0.09 -0.04 1.89 1.60 2jk6A1 ILE 451 HG12 -0.79 0.05 -0.02 -0.04 1.49 0.69 2jk6A1 ILE 451 HG13 -0.21 0.01 0.05 -0.04 1.21 1.02 2jk6A1 ILE 451 HG23 -0.00 0.02 0.01 -0.04 0.93 0.92 2jk6A1 ILE 451 HD13 -0.64 -0.00 0.02 -0.04 0.88 0.22 2jk6A1 SER 452 H -0.17 0.11 -0.26 -0.55 8.46 7.59 2jk6A1 SER 452 HA -0.89 0.12 0.46 -0.75 4.49 3.43 2jk6A1 SER 452 HB2 -0.07 0.05 -0.03 -0.04 3.95 3.86 2jk6A1 SER 452 HB3 0.01 0.04 0.04 -0.04 3.93 3.98 2jk6A1 ASP 453 H -0.16 0.37 -0.31 -0.55 8.40 7.76 2jk6A1 ASP 453 HA -0.03 0.09 0.47 -0.75 4.63 4.40 2jk6A1 ASP 453 HB2 0.03 0.19 0.15 -0.04 2.71 3.03 2jk6A1 ASP 453 HB3 0.10 0.01 -0.00 -0.04 2.70 2.76 2jk6A1 PHE 454 H -0.00 0.24 -0.32 -0.55 8.34 7.70 2jk6A1 PHE 454 HA -0.09 0.04 0.44 -0.75 4.62 4.26 2jk6A1 PHE 454 HB2 -0.18 0.16 0.21 -0.04 3.15 3.30 2jk6A1 PHE 454 HB3 -0.09 0.18 -0.05 -0.04 3.06 3.06 2jk6A1 PHE 454 HD2 -0.09 0.00 -0.16 -0.04 7.28 6.99 2jk6A1 PHE 454 HE2 -0.06 -0.04 -0.10 -0.04 7.38 7.13 2jk6A1 PHE 454 HZ -0.06 -0.03 -0.10 -0.04 7.32 7.10 2jk6A1 HIS 455 H -0.29 0.35 0.04 -0.55 8.41 7.97 2jk6A1 HIS 455 HA 0.03 0.27 0.48 -0.75 4.63 4.65 2jk6A1 HIS 455 HB2 0.02 -0.00 0.07 -0.04 3.26 3.31 2jk6A1 HIS 455 HB3 0.02 -0.08 -0.12 -0.04 3.20 2.98 2jk6A1 HIS 455 HD2 -0.05 0.13 -0.02 -0.04 6.97 6.98 2jk6A1 HIS 455 HE1 0.01 -0.05 -0.04 -0.04 7.75 7.63 2jk6A1 SER 456 H -0.08 0.14 -0.70 -0.55 8.46 7.27 2jk6A1 SER 456 HA 0.08 0.10 0.74 -0.75 4.49 4.65 2jk6A1 SER 456 HB2 0.02 -0.10 0.06 -0.04 3.95 3.89 2jk6A1 SER 456 HB3 0.02 -0.01 0.06 -0.04 3.93 3.95 2jk6A1 THR 457 H 0.00 0.37 -0.25 -0.55 8.28 7.86 2jk6A1 THR 457 HA -0.01 -0.01 0.56 -0.75 4.39 4.17 2jk6A1 THR 457 HB -0.05 0.04 0.09 -0.04 4.32 4.35 2jk6A1 THR 457 HG23 -0.05 0.00 -0.06 -0.04 1.22 1.08 2jk6A1 ILE 458 H -0.01 0.08 0.15 -0.55 8.25 7.92 2jk6A1 ILE 458 HA -0.01 0.06 0.52 -0.75 4.18 3.99 2jk6A1 ILE 458 HB -0.01 -0.04 0.14 -0.04 1.89 1.94 2jk6A1 ILE 458 HG12 -0.01 -0.00 0.02 -0.04 1.49 1.46 2jk6A1 ILE 458 HG13 -0.00 0.09 0.02 -0.04 1.21 1.27 2jk6A1 ILE 458 HG23 -0.02 0.01 -0.11 -0.04 0.93 0.77 2jk6A1 ILE 458 HD13 -0.01 -0.01 0.02 -0.04 0.88 0.84 2jk6A1 GLY 459 H -0.02 0.09 0.12 -0.55 8.43 8.07 2jk6A1 GLY 459 HA2 -0.03 0.05 0.27 -0.51 4.01 3.79 2jk6A1 GLY 459 HA3 -0.03 0.01 0.26 -0.51 4.01 3.75 2jk6A1 VAL 460 H -0.02 0.09 0.10 -0.55 8.24 7.85 2jk6A1 VAL 460 HA 0.01 0.21 0.82 -0.75 4.13 4.42 2jk6A1 VAL 460 HB -0.03 -0.14 0.05 -0.04 2.12 1.96 2jk6A1 VAL 460 HG13 -0.02 0.02 -0.13 -0.04 0.97 0.80 2jk6A1 VAL 460 HG23 -0.03 0.03 -0.09 -0.04 0.95 0.81 2jk6A1 HIS 461 H 0.07 0.30 0.07 -0.55 8.41 8.30 2jk6A1 HIS 461 HA -0.05 -0.03 0.90 -0.75 4.63 4.69 2jk6A1 HIS 461 HB2 -0.04 -0.00 -0.22 -0.04 3.26 2.95 2jk6A1 HIS 461 HB3 -0.03 0.05 0.02 -0.04 3.20 3.19 2jk6A1 HIS 461 HD2 -0.02 0.02 -0.13 -0.04 6.97 6.79 2jk6A1 HIS 461 HE1 -0.05 -0.00 -0.01 -0.04 7.75 7.65 2jk6A1 PRO 462 HA -0.47 0.02 0.48 -0.51 4.44 3.97 2jk6A1 PRO 462 HB2 -0.25 -0.01 -0.00 -0.04 2.28 1.98 2jk6A1 PRO 462 HB3 -0.72 0.04 0.08 -0.04 2.02 1.38 2jk6A1 PRO 462 HG2 -0.18 0.02 0.11 -0.04 2.03 1.93 2jk6A1 PRO 462 HG3 -0.35 0.05 0.04 -0.04 2.03 1.73 2jk6A1 PRO 462 HD2 -0.14 0.06 0.30 -0.04 3.68 3.85 2jk6A1 PRO 462 HD3 -0.16 0.19 0.30 -0.04 3.65 3.95 2jk6A1 THR 463 H -0.09 0.27 0.26 -0.55 8.28 8.16 2jk6A1 THR 463 HA -0.09 0.22 0.67 -0.75 4.39 4.44 2jk6A1 THR 463 HB -0.08 -0.17 0.16 -0.04 4.32 4.20 2jk6A1 THR 463 HG23 -0.06 0.03 -0.29 -0.04 1.22 0.86 2jk6A1 SER 464 H -0.12 0.19 0.14 -0.55 8.46 8.12 2jk6A1 SER 464 HA -0.08 0.19 0.71 -0.75 4.49 4.56 2jk6A1 SER 464 HB2 -0.35 -0.00 0.10 -0.04 3.95 3.66 2jk6A1 SER 464 HB3 -1.36 0.05 -0.04 -0.04 3.93 2.53 2jk6A1 ALA 465 H -0.13 0.08 0.00 -0.55 8.40 7.81 2jk6A1 ALA 465 HA -0.06 0.11 0.28 -0.75 4.34 3.92 2jk6A1 ALA 465 HB3 -0.06 0.03 0.03 -0.04 1.41 1.37 2jk6A1 GLU 466 H -0.09 0.10 -0.51 -0.55 8.60 7.54 2jk6A1 GLU 466 HA -0.07 0.07 0.28 -0.75 4.29 3.82 2jk6A1 GLU 466 HB2 -0.03 -0.03 0.05 -0.04 2.09 2.03 2jk6A1 GLU 466 HB3 -0.04 0.19 0.13 -0.04 1.99 2.22 2jk6A1 GLU 466 HG2 -0.09 0.23 -0.04 -0.04 2.34 2.40 2jk6A1 GLU 466 HG3 -0.10 0.03 -0.33 -0.04 2.34 1.91 2jk6A1 GLU 467 H -0.12 0.32 -0.61 -0.55 8.60 7.64 2jk6A1 GLU 467 HA -0.12 0.10 0.38 -0.75 4.29 3.89 2jk6A1 GLU 467 HB2 -0.55 -0.00 -0.01 -0.04 2.09 1.49 2jk6A1 GLU 467 HB3 -0.03 0.10 -0.05 -0.04 1.99 1.97 2jk6A1 GLU 467 HG2 -0.20 0.01 -0.12 -0.04 2.34 1.99 2jk6A1 GLU 467 HG3 0.06 -0.02 -0.13 -0.04 2.34 2.21 2jk6A1 LEU 468 H -0.03 0.47 -0.31 -0.55 8.37 7.95 2jk6A1 LEU 468 HA 0.07 0.02 0.43 -0.75 4.35 4.11 2jk6A1 LEU 468 HB2 -0.14 0.16 0.05 -0.04 1.64 1.68 2jk6A1 LEU 468 HB3 -0.25 -0.01 -0.09 -0.04 1.64 1.25 2jk6A1 LEU 468 HG 0.03 -0.04 -0.02 -0.04 1.64 1.57 2jk6A1 LEU 468 HD13 -0.16 -0.00 -0.06 -0.04 0.93 0.67 2jk6A1 LEU 468 HD23 0.07 -0.02 -0.07 -0.04 0.89 0.83 2jk6A1 CYS 469 H -0.04 0.29 -0.39 -0.55 8.50 7.81 2jk6A1 CYS 469 HA 0.06 0.07 0.14 -0.75 4.58 4.09 2jk6A1 CYS 469 HB2 -0.02 -0.00 -0.01 -0.04 2.97 2.89 2jk6A1 CYS 469 HB3 0.01 0.25 0.12 -0.04 2.97 3.30 2jk6A1 SER 470 H 0.02 0.25 -0.67 -0.55 8.46 7.52 2jk6A1 SER 470 HA 0.02 0.23 0.83 -0.75 4.49 4.83 2jk6A1 SER 470 HB2 -0.04 -0.01 0.05 -0.04 3.95 3.91 2jk6A1 SER 470 HB3 -0.02 -0.04 0.17 -0.04 3.93 3.99 2jk6A1 MET 471 H 0.09 0.26 -0.41 -0.55 8.47 7.86 2jk6A1 MET 471 HA 0.10 0.13 0.90 -0.75 4.52 4.90 2jk6A1 MET 471 HB2 0.06 0.07 0.06 -0.04 2.15 2.30 2jk6A1 MET 471 HB3 0.17 -0.06 -0.06 -0.04 2.03 2.04 2jk6A1 MET 471 HG2 0.12 0.02 -0.15 -0.04 2.63 2.58 2jk6A1 MET 471 HG3 0.08 0.08 -0.41 -0.04 2.56 2.28 2jk6A1 MET 471 HE3 0.16 0.00 -0.34 -0.04 2.10 1.88 2jk6A1 ARG 472 H 0.07 0.11 0.01 -0.55 8.46 8.11 2jk6A1 ARG 472 HA 0.04 0.18 0.75 -0.75 4.34 4.55 2jk6A1 ARG 472 HB2 -0.04 -0.03 0.05 -0.04 1.90 1.85 2jk6A1 ARG 472 HB3 -0.11 0.00 -0.08 -0.04 1.80 1.58 2jk6A1 ARG 472 HG2 -0.69 0.01 -0.08 -0.04 1.67 0.87 2jk6A1 ARG 472 HG3 -0.20 -0.02 -0.32 -0.04 1.67 1.09 2jk6A1 ARG 472 HD2 -0.07 -0.02 -0.06 -0.04 3.22 3.03 2jk6A1 ARG 472 HD3 -0.15 -0.02 -0.05 -0.04 3.22 2.97 2jk6A1 THR 473 H 0.07 0.03 0.11 -0.55 8.28 7.93 2jk6A1 THR 473 HA 0.02 0.15 0.64 -0.75 4.39 4.44 2jk6A1 THR 473 HB 0.00 -0.02 0.11 -0.04 4.32 4.37 2jk6A1 THR 473 HG23 -0.01 0.07 0.01 -0.04 1.22 1.25 2jk6A1 PRO 474 HA -1.04 -0.01 0.53 -0.51 4.44 3.40 2jk6A1 PRO 474 HB2 -0.93 0.05 -0.03 -0.04 2.28 1.32 2jk6A1 PRO 474 HB3 -1.12 -0.06 0.02 -0.04 2.02 0.83 2jk6A1 PRO 474 HG2 -0.14 -0.01 0.04 -0.04 2.03 1.88 2jk6A1 PRO 474 HG3 -0.58 0.03 -0.00 -0.04 2.03 1.43 2jk6A1 PRO 474 HD2 -0.07 0.06 0.21 -0.04 3.68 3.84 2jk6A1 PRO 474 HD3 -0.02 0.32 0.32 -0.04 3.65 4.22 2jk6A1 ALA 475 H -0.42 0.47 0.55 -0.55 8.40 8.45 2jk6A1 ALA 475 HA -0.07 0.10 0.63 -0.75 4.34 4.25 2jk6A1 ALA 475 HB3 -0.04 -0.04 0.11 -0.04 1.41 1.41 2jk6A1 TYR 476 H -0.61 0.28 0.23 -0.55 8.29 7.63 2jk6A1 TYR 476 HA -0.16 0.32 0.44 -0.75 4.56 4.40 2jk6A1 TYR 476 HB2 -0.11 0.06 0.26 -0.04 3.06 3.24 2jk6A1 TYR 476 HB3 -0.09 0.12 0.12 -0.04 2.98 3.09 2jk6A1 TYR 476 HD2 -0.20 0.12 -0.20 -0.04 7.15 6.82 2jk6A1 TYR 476 HE2 -0.06 -0.03 -0.12 -0.04 6.85 6.59 2jk6A1 PHE 477 H 0.23 0.57 0.35 -0.55 8.34 8.94 2jk6A1 PHE 477 HA -0.07 0.12 1.09 -0.75 4.62 5.01 2jk6A1 PHE 477 HB2 -0.01 0.08 -0.15 -0.04 3.15 3.03 2jk6A1 PHE 477 HB3 0.01 -0.06 -0.04 -0.04 3.06 2.93 2jk6A1 PHE 477 HD2 -0.02 0.11 -0.24 -0.04 7.28 7.09 2jk6A1 PHE 477 HE2 -0.04 0.01 -0.07 -0.04 7.38 7.23 2jk6A1 PHE 477 HZ -0.06 0.03 -0.04 -0.04 7.32 7.21 2jk6A1 TYR 478 H 0.32 0.78 0.35 -0.55 8.29 9.18 2jk6A1 TYR 478 HA 0.14 0.29 0.68 -0.75 4.56 4.90 2jk6A1 TYR 478 HB2 0.09 -0.06 0.12 -0.04 3.06 3.16 2jk6A1 TYR 478 HB3 0.09 -0.01 -0.08 -0.04 2.98 2.93 2jk6A1 TYR 478 HD2 0.06 -0.00 -0.41 -0.04 7.15 6.76 2jk6A1 TYR 478 HE2 0.14 -0.03 -0.15 -0.04 6.85 6.77 2jk6A1 GLU 479 H 0.13 0.59 0.15 -0.55 8.60 8.92 2jk6A1 GLU 479 HA 0.10 0.12 1.00 -0.75 4.29 4.75 2jk6A1 GLU 479 HB2 0.04 -0.05 0.06 -0.04 2.09 2.10 2jk6A1 GLU 479 HB3 0.04 0.04 0.18 -0.04 1.99 2.21 2jk6A1 GLU 479 HG2 0.02 0.04 -0.03 -0.04 2.34 2.33 2jk6A1 GLU 479 HG3 0.02 -0.03 0.07 -0.04 2.34 2.35 2jk6A1 SER 480 H 0.10 0.84 0.42 -0.55 8.46 9.27 2jk6A1 SER 480 HA 0.08 0.20 0.47 -0.75 4.49 4.48 2jk6A1 SER 480 HB2 0.04 -0.01 0.20 -0.04 3.95 4.15 2jk6A1 SER 480 HB3 0.04 -0.04 0.16 -0.04 3.93 4.05 2jk6A1 GLY 481 H 0.14 0.09 -0.21 -0.55 8.43 7.91 2jk6A1 GLY 481 HA2 0.09 0.06 0.18 -0.51 4.01 3.83 2jk6A1 GLY 481 HA3 0.08 0.13 0.43 -0.51 4.01 4.14 2jk6A1 LYS 482 H 0.16 0.37 -0.38 -0.55 8.42 8.01 2jk6A1 LYS 482 HA 0.19 0.16 1.05 -0.75 4.32 4.97 2jk6A1 LYS 482 HB2 0.07 0.12 -0.02 -0.04 1.87 2.00 2jk6A1 LYS 482 HB3 0.05 0.02 -0.09 -0.04 1.79 1.73 2jk6A1 LYS 482 HG2 0.05 -0.05 0.05 -0.04 1.46 1.47 2jk6A1 LYS 482 HG3 0.08 0.11 -0.09 -0.04 1.46 1.52 2jk6A1 LYS 482 HD2 0.05 0.06 -0.05 -0.04 1.69 1.70 2jk6A1 LYS 482 HD3 0.03 -0.02 -0.02 -0.04 1.68 1.64 2jk6A1 LYS 482 HE2 0.03 -0.03 0.00 -0.04 2.99 2.95 2jk6A1 LYS 482 HE3 0.04 0.02 -0.02 -0.04 2.99 2.99 2jk6A1 ARG 483 H 0.04 0.13 0.15 -0.55 8.46 8.23 2jk6A1 ARG 483 HA -0.47 0.23 0.60 -0.75 4.34 3.95 2jk6A1 ARG 483 HB2 -0.15 -0.05 0.13 -0.04 1.90 1.80 2jk6A1 ARG 483 HB3 -0.13 -0.01 0.16 -0.04 1.80 1.78 2jk6A1 ARG 483 HG2 -0.30 0.08 -0.09 -0.04 1.67 1.32 2jk6A1 ARG 483 HG3 -0.53 -0.03 0.00 -0.04 1.67 1.07 2jk6A1 ARG 483 HD2 -0.20 -0.04 -0.02 -0.04 3.22 2.92 2jk6A1 ARG 483 HD3 -0.24 0.00 -0.04 -0.04 3.22 2.91 2jk6A1 VAL 484 H -0.04 0.50 0.31 -0.55 8.24 8.46 2jk6A1 VAL 484 HA -0.01 0.15 0.92 -0.75 4.13 4.44 2jk6A1 VAL 484 HB 0.02 0.08 0.09 -0.04 2.12 2.27 2jk6A1 VAL 484 HG13 0.01 0.01 -0.13 -0.04 0.97 0.82 2jk6A1 VAL 484 HG23 0.06 -0.03 -0.12 -0.04 0.95 0.81 2jk6A1 GLU 485 H 0.02 0.11 0.16 -0.55 8.60 8.35 2jk6A1 GLU 485 HA 0.08 0.08 0.55 -0.75 4.29 4.25 2jk6A1 GLU 485 HB2 0.03 -0.08 0.16 -0.04 2.09 2.16 2jk6A1 GLU 485 HB3 0.03 0.07 0.08 -0.04 1.99 2.13 2jk6A1 GLU 485 HG2 -0.01 -0.01 0.12 -0.04 2.34 2.40 2jk6A1 GLU 485 HG3 -0.01 0.03 0.05 -0.04 2.34 2.37 2jk6A1 LYS 486 H 0.04 0.04 0.09 -0.55 8.42 8.05 2jk6A1 LYS 486 HA 0.15 0.27 0.76 -0.75 4.32 4.75 2jk6A1 LYS 486 HB2 -0.01 -0.03 0.09 -0.04 1.87 1.88 2jk6A1 LYS 486 HB3 0.05 0.08 0.02 -0.04 1.79 1.90 2jk6A1 LYS 486 HG2 0.02 -0.08 0.02 -0.04 1.46 1.37 2jk6A1 LYS 486 HG3 -0.01 0.00 -0.16 -0.04 1.46 1.26 2jk6A1 LYS 486 HD2 -0.00 0.03 -0.04 -0.04 1.69 1.64 2jk6A1 LYS 486 HD3 0.02 0.03 -0.03 -0.04 1.68 1.66 2jk6A1 LYS 486 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2jk6A1 LYS 486 HE3 -0.00 -0.01 -0.05 -0.04 2.99 2.89 2jk6A1 LEU 487 H -0.19 0.20 0.06 -0.55 8.37 7.90 2jk6A1 LEU 487 HA -0.20 0.14 0.73 -0.75 4.35 4.26 2jk6A1 LEU 487 HB2 -1.03 -0.00 -0.07 -0.04 1.64 0.49 2jk6A1 LEU 487 HB3 -0.37 0.01 0.02 -0.04 1.64 1.26 2jk6A1 LEU 487 HG -0.23 0.06 -0.15 -0.04 1.64 1.28 2jk6A1 LEU 487 HD13 -0.30 0.00 -0.13 -0.04 0.93 0.46 2jk6A1 LEU 487 HD23 -0.46 -0.01 -0.12 -0.04 0.89 0.26 2jk6A1 SER 488 H -0.08 0.21 0.15 -0.55 8.46 8.19 2jk6A1 SER 488 HA -0.05 0.15 0.87 -0.75 4.49 4.70 2jk6A1 SER 488 HB2 -0.03 -0.02 -0.06 -0.04 3.95 3.80 2jk6A1 SER 488 HB3 -0.03 0.00 0.06 -0.04 3.93 3.92 2jk6A1 SER 489 H -0.04 0.16 0.04 -0.55 8.46 8.09 2jk6A1 SER 489 HA -0.02 0.19 0.38 -0.75 4.49 4.28 2jk6A1 SER 489 HB2 -0.02 0.02 0.04 -0.04 3.95 3.95 2jk6A1 SER 489 HB3 -0.04 0.06 -0.22 -0.04 3.93 3.69