============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 6 0.900 -2.110 6.130 -33.039 -99.200 -91.000 TYR 14 0.840 -4.242 -1.383 -22.472 -99.200 -91.000 TYR 17 0.840 -5.134 -9.647 -19.354 -99.200 -91.000 PHE 24 1.000 12.173 -11.652 -7.002 -99.200 -91.000 HIS 44 0.900 9.893 -22.772 -7.770 -99.200 -91.000 TRP 54 1.040 6.918 -27.887 2.244 -99.200 -91.000 TRP6 54 1.020 4.892 -29.083 2.289 -99.200 -91.000 PHE 64 1.000 5.243 -20.589 -3.337 -99.200 -91.000 PHE 80 1.000 12.724 2.304 -3.710 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k4dA12 GLY 355 HA2 0.03 -0.10 0.18 -0.51 4.01 3.62 2k4dA12 GLY 355 HA3 -0.03 -0.10 0.11 -0.51 4.01 3.48 2k4dA12 SER 356 H 0.03 -0.03 0.12 -0.55 8.46 8.04 2k4dA12 SER 356 HA 0.06 0.26 0.86 -0.75 4.49 4.91 2k4dA12 SER 356 HB2 0.03 0.01 0.06 -0.04 3.95 4.01 2k4dA12 SER 356 HB3 0.02 -0.10 0.13 -0.04 3.93 3.95 2k4dA12 LEU 357 H 0.01 -0.05 0.13 -0.55 8.37 7.91 2k4dA12 LEU 357 HA 0.01 0.09 0.49 -0.75 4.35 4.19 2k4dA12 LEU 357 HB2 0.00 -0.01 0.13 -0.04 1.64 1.72 2k4dA12 LEU 357 HB3 -0.00 -0.08 0.13 -0.04 1.64 1.65 2k4dA12 LEU 357 HG -0.01 0.03 -0.22 -0.04 1.64 1.40 2k4dA12 LEU 357 HD13 0.00 0.01 0.04 -0.04 0.93 0.93 2k4dA12 LEU 357 HD23 -0.00 -0.00 -0.01 -0.04 0.89 0.83 2k4dA12 GLN 358 H -0.01 -0.12 -0.16 -0.55 8.47 7.63 2k4dA12 GLN 358 HA -0.02 0.09 0.49 -0.75 4.36 4.16 2k4dA12 GLN 358 HB2 -0.08 -0.01 0.01 -0.04 2.15 2.03 2k4dA12 GLN 358 HB3 -0.09 0.10 0.09 -0.04 2.02 2.08 2k4dA12 GLN 358 HG2 -0.03 -0.12 -0.01 -0.04 2.40 2.20 2k4dA12 GLN 358 HG3 -0.04 0.02 0.02 -0.04 2.39 2.34 2k4dA12 GLN 358 HE21 -0.02 -0.01 -0.01 -0.04 6.97 6.88 2k4dA12 GLN 358 HE22 -0.02 0.01 -0.01 -0.04 7.69 7.62 2k4dA12 ASP 359 H -0.04 0.05 0.13 -0.55 8.40 7.99 2k4dA12 ASP 359 HA 0.07 0.27 0.79 -0.75 4.63 5.00 2k4dA12 ASP 359 HB2 0.04 -0.12 0.06 -0.04 2.71 2.64 2k4dA12 ASP 359 HB3 0.02 0.07 -0.01 -0.04 2.70 2.73 2k4dA12 HIS 360 H 0.15 0.02 0.05 -0.55 8.41 8.08 2k4dA12 HIS 360 HA 0.00 0.21 0.96 -0.75 4.63 5.05 2k4dA12 HIS 360 HB2 0.00 -0.19 0.18 -0.04 3.26 3.22 2k4dA12 HIS 360 HB3 0.01 0.24 0.05 -0.04 3.20 3.44 2k4dA12 HIS 360 HD2 0.00 0.01 -0.12 -0.04 6.97 6.82 2k4dA12 HIS 360 HE1 0.00 -0.07 -0.01 -0.04 7.75 7.62 2k4dA12 ILE 361 H 0.13 0.03 0.13 -0.55 8.25 7.99 2k4dA12 ILE 361 HA 0.04 -0.09 0.42 -0.75 4.18 3.80 2k4dA12 ILE 361 HB 0.03 0.24 0.43 -0.04 1.89 2.54 2k4dA12 ILE 361 HG12 0.03 -0.01 0.04 -0.04 1.49 1.51 2k4dA12 ILE 361 HG13 0.04 -0.12 -0.26 -0.04 1.21 0.83 2k4dA12 ILE 361 HG23 0.02 -0.01 -0.04 -0.04 0.93 0.86 2k4dA12 ILE 361 HD13 0.01 0.01 -0.02 -0.04 0.88 0.84 2k4dA12 LYS 362 H 0.03 0.02 0.07 -0.55 8.42 7.98 2k4dA12 LYS 362 HA 0.02 -0.00 0.26 -0.75 4.32 3.85 2k4dA12 LYS 362 HB2 0.03 0.34 0.04 -0.04 1.87 2.23 2k4dA12 LYS 362 HB3 0.03 -0.03 0.11 -0.04 1.79 1.86 2k4dA12 LYS 362 HG2 0.01 -0.03 0.03 -0.04 1.46 1.43 2k4dA12 LYS 362 HG3 0.01 -0.06 -0.13 -0.04 1.46 1.24 2k4dA12 LYS 362 HD2 0.00 -0.02 -0.03 -0.04 1.69 1.60 2k4dA12 LYS 362 HD3 0.01 0.05 -0.08 -0.04 1.68 1.62 2k4dA12 LYS 362 HE2 0.01 0.01 -0.01 -0.04 2.99 2.95 2k4dA12 LYS 362 HE3 0.02 0.10 -0.03 -0.04 2.99 3.04 2k4dA12 VAL 363 H 0.05 0.15 0.08 -0.55 8.24 7.96 2k4dA12 VAL 363 HA 0.10 0.24 0.99 -0.75 4.13 4.71 2k4dA12 VAL 363 HB 0.09 0.09 0.08 -0.04 2.12 2.33 2k4dA12 VAL 363 HG13 0.13 0.01 0.11 -0.04 0.97 1.17 2k4dA12 VAL 363 HG23 0.06 -0.07 0.00 -0.04 0.95 0.91 2k4dA12 THR 364 H 0.06 0.25 -0.00 -0.55 8.28 8.04 2k4dA12 THR 364 HA 0.02 0.16 0.29 -0.75 4.39 4.10 2k4dA12 THR 364 HB 0.00 -0.10 0.10 -0.04 4.32 4.29 2k4dA12 THR 364 HG23 -0.00 0.01 -0.02 -0.04 1.22 1.17 2k4dA12 GLN 365 H 0.02 0.02 -0.14 -0.55 8.47 7.83 2k4dA12 GLN 365 HA 0.00 0.17 0.38 -0.75 4.36 4.16 2k4dA12 GLN 365 HB2 -0.01 -0.10 0.08 -0.04 2.15 2.08 2k4dA12 GLN 365 HB3 -0.02 0.02 0.03 -0.04 2.02 2.01 2k4dA12 GLN 365 HG2 -0.01 -0.03 0.03 -0.04 2.40 2.35 2k4dA12 GLN 365 HG3 -0.02 0.03 0.03 -0.04 2.39 2.39 2k4dA12 GLN 365 HE21 -0.01 -0.07 -0.17 -0.04 6.97 6.68 2k4dA12 GLN 365 HE22 -0.01 0.04 -0.05 -0.04 7.69 7.62 2k4dA12 GLU 366 H 0.04 0.04 -0.36 -0.55 8.60 7.77 2k4dA12 GLU 366 HA 0.13 -0.02 0.24 -0.75 4.29 3.89 2k4dA12 GLU 366 HB2 0.03 0.20 0.09 -0.04 2.09 2.38 2k4dA12 GLU 366 HB3 0.06 -0.07 0.21 -0.04 1.99 2.15 2k4dA12 GLU 366 HG2 0.05 -0.11 0.07 -0.04 2.34 2.31 2k4dA12 GLU 366 HG3 0.03 0.25 -0.20 -0.04 2.34 2.39 2k4dA12 GLN 367 H -0.04 0.04 -0.25 -0.55 8.47 7.67 2k4dA12 GLN 367 HA -0.03 0.13 0.06 -0.75 4.36 3.77 2k4dA12 GLN 367 HB2 -0.10 0.03 0.16 -0.04 2.15 2.20 2k4dA12 GLN 367 HB3 -0.07 0.02 0.02 -0.04 2.02 1.95 2k4dA12 GLN 367 HG2 -0.18 -0.09 -0.00 -0.04 2.40 2.09 2k4dA12 GLN 367 HG3 -0.35 0.05 -0.05 -0.04 2.39 1.99 2k4dA12 GLN 367 HE21 -0.14 0.00 0.02 -0.04 6.97 6.81 2k4dA12 GLN 367 HE22 -0.08 0.03 0.01 -0.04 7.69 7.61 2k4dA12 TYR 368 H 0.12 0.80 -0.07 -0.55 8.29 8.59 2k4dA12 TYR 368 HA 0.02 0.19 0.79 -0.75 4.56 4.81 2k4dA12 TYR 368 HB2 -0.09 0.08 0.04 -0.04 3.06 3.05 2k4dA12 TYR 368 HB3 -0.05 0.01 0.16 -0.04 2.98 3.07 2k4dA12 TYR 368 HD2 -0.02 0.01 -0.11 -0.04 7.15 6.99 2k4dA12 TYR 368 HE2 -0.01 -0.01 -0.05 -0.04 6.85 6.74 2k4dA12 GLU 369 H 0.08 0.13 -0.34 -0.55 8.60 7.93 2k4dA12 GLU 369 HA 0.26 0.11 0.34 -0.75 4.29 4.25 2k4dA12 GLU 369 HB2 0.07 0.09 0.10 -0.04 2.09 2.31 2k4dA12 GLU 369 HB3 0.06 -0.00 0.03 -0.04 1.99 2.03 2k4dA12 GLU 369 HG2 0.12 0.01 0.08 -0.04 2.34 2.51 2k4dA12 GLU 369 HG3 0.05 0.03 0.02 -0.04 2.34 2.40 2k4dA12 LEU 370 H 0.10 0.13 -0.45 -0.55 8.37 7.60 2k4dA12 LEU 370 HA 0.04 0.08 0.36 -0.75 4.35 4.08 2k4dA12 LEU 370 HB2 0.02 -0.01 0.10 -0.04 1.64 1.71 2k4dA12 LEU 370 HB3 0.02 -0.01 0.04 -0.04 1.64 1.65 2k4dA12 LEU 370 HG 0.06 0.07 -0.23 -0.04 1.64 1.49 2k4dA12 LEU 370 HD13 -0.01 -0.00 -0.02 -0.04 0.93 0.86 2k4dA12 LEU 370 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.83 2k4dA12 TYR 371 H 0.43 0.38 -0.71 -0.55 8.29 7.83 2k4dA12 TYR 371 HA 0.04 0.09 0.31 -0.75 4.56 4.25 2k4dA12 TYR 371 HB2 0.04 -0.04 0.12 -0.04 3.06 3.13 2k4dA12 TYR 371 HB3 0.08 0.14 0.17 -0.04 2.98 3.34 2k4dA12 TYR 371 HD2 0.03 0.01 0.01 -0.04 7.15 7.15 2k4dA12 TYR 371 HE2 0.01 -0.03 -0.00 -0.04 6.85 6.79 2k4dA12 CYS 372 H -0.22 0.16 -0.51 -0.55 8.50 7.38 2k4dA12 CYS 372 HA -0.38 0.09 0.56 -0.75 4.58 4.09 2k4dA12 CYS 372 HB2 -0.45 0.00 0.08 -0.04 2.97 2.57 2k4dA12 CYS 372 HB3 -0.17 -0.00 0.03 -0.04 2.97 2.79 2k4dA12 GLU 373 H -0.06 0.47 -0.22 -0.55 8.60 8.25 2k4dA12 GLU 373 HA -0.04 0.12 0.83 -0.75 4.29 4.44 2k4dA12 GLU 373 HB2 -0.02 0.16 0.07 -0.04 2.09 2.26 2k4dA12 GLU 373 HB3 -0.02 -0.16 0.03 -0.04 1.99 1.79 2k4dA12 GLU 373 HG2 -0.05 -0.03 -0.16 -0.04 2.34 2.07 2k4dA12 GLU 373 HG3 -0.03 -0.01 -0.02 -0.04 2.34 2.24 2k4dA12 MET 374 H -0.01 -0.06 0.08 -0.55 8.47 7.93 2k4dA12 MET 374 HA 0.01 0.26 0.84 -0.75 4.52 4.87 2k4dA12 MET 374 HB2 -0.00 0.13 -0.12 -0.04 2.15 2.12 2k4dA12 MET 374 HB3 -0.01 -0.13 0.06 -0.04 2.03 1.92 2k4dA12 MET 374 HG2 0.00 0.00 -0.05 -0.04 2.63 2.54 2k4dA12 MET 374 HG3 0.00 0.01 -0.24 -0.04 2.56 2.29 2k4dA12 MET 374 HE3 0.01 -0.01 -0.05 -0.04 2.10 2.01 2k4dA12 GLY 375 H -0.00 0.06 0.03 -0.55 8.43 7.97 2k4dA12 GLY 375 HA2 -0.01 0.08 0.34 -0.51 4.01 3.92 2k4dA12 GLY 375 HA3 -0.00 0.14 0.41 -0.51 4.01 4.04 2k4dA12 SER 376 H 0.00 0.12 0.10 -0.55 8.46 8.13 2k4dA12 SER 376 HA 0.01 0.16 0.80 -0.75 4.49 4.71 2k4dA12 SER 376 HB2 0.01 -0.01 0.13 -0.04 3.95 4.04 2k4dA12 SER 376 HB3 0.03 0.00 0.18 -0.04 3.93 4.10 2k4dA12 THR 377 H 0.01 0.28 0.14 -0.55 8.28 8.16 2k4dA12 THR 377 HA 0.03 0.08 0.49 -0.75 4.39 4.24 2k4dA12 THR 377 HB 0.01 -0.03 0.12 -0.04 4.32 4.38 2k4dA12 THR 377 HG23 0.01 -0.00 -0.12 -0.04 1.22 1.07 2k4dA12 PHE 378 H 0.15 0.23 0.14 -0.55 8.34 8.31 2k4dA12 PHE 378 HA -0.02 0.12 0.48 -0.75 4.62 4.45 2k4dA12 PHE 378 HB2 -0.02 0.07 0.13 -0.04 3.15 3.28 2k4dA12 PHE 378 HB3 -0.02 0.01 0.20 -0.04 3.06 3.21 2k4dA12 PHE 378 HD2 -0.02 0.00 0.06 -0.04 7.28 7.29 2k4dA12 PHE 378 HE2 -0.02 0.00 0.01 -0.04 7.38 7.33 2k4dA12 PHE 378 HZ -0.01 0.01 -0.01 -0.04 7.32 7.26 2k4dA12 GLN 379 H -0.03 0.54 -0.60 -0.55 8.47 7.83 2k4dA12 GLN 379 HA -0.11 0.16 0.52 -0.75 4.36 4.18 2k4dA12 GLN 379 HB2 0.03 0.01 -0.18 -0.04 2.15 1.96 2k4dA12 GLN 379 HB3 0.00 0.03 -0.11 -0.04 2.02 1.91 2k4dA12 GLN 379 HG2 -0.01 -0.08 0.14 -0.04 2.40 2.42 2k4dA12 GLN 379 HG3 0.01 0.04 0.06 -0.04 2.39 2.46 2k4dA12 GLN 379 HE21 0.02 -0.07 0.04 -0.04 6.97 6.91 2k4dA12 GLN 379 HE22 0.04 0.20 0.07 -0.04 7.69 7.95 2k4dA12 LEU 380 H -0.11 0.27 0.21 -0.55 8.37 8.19 2k4dA12 LEU 380 HA -0.04 0.32 0.92 -0.75 4.35 4.79 2k4dA12 LEU 380 HB2 -0.02 0.07 0.00 -0.04 1.64 1.65 2k4dA12 LEU 380 HB3 -0.02 -0.09 -0.17 -0.04 1.64 1.32 2k4dA12 LEU 380 HG -0.01 -0.12 -0.31 -0.04 1.64 1.16 2k4dA12 LEU 380 HD13 0.00 0.03 -0.09 -0.04 0.93 0.83 2k4dA12 LEU 380 HD23 -0.01 0.03 -0.39 -0.04 0.89 0.49 2k4dA12 CYS 381 H -0.03 0.97 0.23 -0.55 8.50 9.12 2k4dA12 CYS 381 HA -0.02 0.14 0.70 -0.75 4.58 4.64 2k4dA12 CYS 381 HB2 -0.01 0.03 -0.13 -0.04 2.97 2.82 2k4dA12 CYS 381 HB3 -0.00 0.06 0.20 -0.04 2.97 3.19 2k4dA12 LYS 382 H 0.06 0.30 0.20 -0.55 8.42 8.43 2k4dA12 LYS 382 HA 0.05 0.12 0.21 -0.75 4.32 3.94 2k4dA12 LYS 382 HB2 0.02 0.07 0.14 -0.04 1.87 2.07 2k4dA12 LYS 382 HB3 0.25 -0.02 0.14 -0.04 1.79 2.11 2k4dA12 LYS 382 HG2 0.28 0.03 -0.07 -0.04 1.46 1.66 2k4dA12 LYS 382 HG3 0.07 0.02 0.07 -0.04 1.46 1.58 2k4dA12 LYS 382 HD2 -0.07 0.01 0.04 -0.04 1.69 1.62 2k4dA12 LYS 382 HD3 -0.24 -0.03 0.02 -0.04 1.68 1.38 2k4dA12 LYS 382 HE2 -0.08 0.01 0.00 -0.04 2.99 2.89 2k4dA12 LYS 382 HE3 0.10 0.01 -0.01 -0.04 2.99 3.05 2k4dA12 ILE 383 H 0.10 -0.10 -0.46 -0.55 8.25 7.25 2k4dA12 ILE 383 HA -0.13 0.19 0.44 -0.75 4.18 3.92 2k4dA12 ILE 383 HB -0.09 -0.13 0.05 -0.04 1.89 1.67 2k4dA12 ILE 383 HG12 -1.00 0.11 -0.05 -0.04 1.49 0.51 2k4dA12 ILE 383 HG13 -0.05 -0.13 0.04 -0.04 1.21 1.03 2k4dA12 ILE 383 HG23 -0.23 0.04 -0.04 -0.04 0.93 0.66 2k4dA12 ILE 383 HD13 -0.28 -0.01 -0.02 -0.04 0.88 0.52 2k4dA12 CYS 384 H -0.01 0.05 -0.03 -0.55 8.50 7.97 2k4dA12 CYS 384 HA -0.03 0.33 0.85 -0.75 4.58 4.98 2k4dA12 CYS 384 HB2 -0.01 -0.02 0.07 -0.04 2.97 2.97 2k4dA12 CYS 384 HB3 -0.02 0.08 0.01 -0.04 2.97 3.00 2k4dA12 ALA 385 H 0.00 0.61 0.15 -0.55 8.40 8.61 2k4dA12 ALA 385 HA -0.00 -0.01 0.17 -0.75 4.34 3.74 2k4dA12 ALA 385 HB3 0.00 0.06 -0.01 -0.04 1.41 1.42 2k4dA12 GLU 386 H -0.01 -0.17 -0.24 -0.55 8.60 7.64 2k4dA12 GLU 386 HA -0.00 0.24 0.85 -0.75 4.29 4.63 2k4dA12 GLU 386 HB2 -0.00 0.18 -0.18 -0.04 2.09 2.04 2k4dA12 GLU 386 HB3 -0.00 -0.16 -0.01 -0.04 1.99 1.77 2k4dA12 GLU 386 HG2 -0.00 -0.06 -0.22 -0.04 2.34 2.01 2k4dA12 GLU 386 HG3 0.00 0.05 0.01 -0.04 2.34 2.36 2k4dA12 ASN 387 H -0.01 -0.07 0.13 -0.55 8.53 8.04 2k4dA12 ASN 387 HA -0.00 0.23 0.65 -0.75 4.76 4.88 2k4dA12 ASN 387 HB2 -0.00 -0.16 0.13 -0.04 2.88 2.80 2k4dA12 ASN 387 HB3 -0.00 0.07 0.12 -0.04 2.79 2.93 2k4dA12 ASN 387 HD21 0.00 -0.15 0.05 -0.04 7.03 6.89 2k4dA12 ASN 387 HD22 0.00 0.11 0.02 -0.04 7.74 7.83 2k4dA12 ASP 388 H -0.01 0.15 0.20 -0.55 8.40 8.19 2k4dA12 ASP 388 HA -0.04 0.40 0.65 -0.75 4.63 4.89 2k4dA12 ASP 388 HB2 -0.02 0.16 0.13 -0.04 2.71 2.94 2k4dA12 ASP 388 HB3 -0.01 -0.07 0.12 -0.04 2.70 2.69 2k4dA12 LYS 389 H -0.10 0.25 -0.36 -0.55 8.42 7.65 2k4dA12 LYS 389 HA -0.04 -0.12 0.06 -0.75 4.32 3.47 2k4dA12 LYS 389 HB2 -0.12 -0.03 -0.15 -0.04 1.87 1.53 2k4dA12 LYS 389 HB3 -0.18 0.03 -0.33 -0.04 1.79 1.28 2k4dA12 LYS 389 HG2 -0.18 0.03 -0.07 -0.04 1.46 1.20 2k4dA12 LYS 389 HG3 -0.48 0.02 -0.14 -0.04 1.46 0.82 2k4dA12 LYS 389 HD2 -0.58 0.00 -0.41 -0.04 1.69 0.66 2k4dA12 LYS 389 HD3 -0.20 -0.11 -0.28 -0.04 1.68 1.05 2k4dA12 LYS 389 HE2 -0.25 -0.00 -0.10 -0.04 2.99 2.59 2k4dA12 LYS 389 HE3 -0.15 0.19 0.00 -0.04 2.99 2.98 2k4dA12 ASP 390 H -0.01 0.06 0.42 -0.55 8.40 8.31 2k4dA12 ASP 390 HA -0.01 0.29 0.93 -0.75 4.63 5.09 2k4dA12 ASP 390 HB2 0.00 0.05 0.20 -0.04 2.71 2.92 2k4dA12 ASP 390 HB3 -0.00 0.08 0.02 -0.04 2.70 2.75 2k4dA12 VAL 391 H 0.00 0.48 0.26 -0.55 8.24 8.43 2k4dA12 VAL 391 HA 0.02 0.36 1.09 -0.75 4.13 4.85 2k4dA12 VAL 391 HB 0.02 -0.07 -0.21 -0.04 2.12 1.82 2k4dA12 VAL 391 HG13 0.04 -0.04 -0.31 -0.04 0.97 0.62 2k4dA12 VAL 391 HG23 0.03 0.03 -0.17 -0.04 0.95 0.81 2k4dA12 LYS 392 H 0.03 0.84 0.28 -0.55 8.42 9.01 2k4dA12 LYS 392 HA 0.05 0.24 0.93 -0.75 4.32 4.78 2k4dA12 LYS 392 HB2 0.04 -0.00 -0.12 -0.04 1.87 1.74 2k4dA12 LYS 392 HB3 0.03 0.06 0.11 -0.04 1.79 1.95 2k4dA12 LYS 392 HG2 0.03 -0.05 -0.40 -0.04 1.46 1.00 2k4dA12 LYS 392 HG3 0.05 -0.00 -0.21 -0.04 1.46 1.26 2k4dA12 LYS 392 HD2 0.05 0.02 -0.12 -0.04 1.69 1.60 2k4dA12 LYS 392 HD3 0.03 -0.00 -0.11 -0.04 1.68 1.56 2k4dA12 LYS 392 HE2 0.04 0.02 -0.09 -0.04 2.99 2.92 2k4dA12 LYS 392 HE3 0.03 0.02 -0.07 -0.04 2.99 2.94 2k4dA12 ILE 393 H 0.06 0.62 0.24 -0.55 8.25 8.63 2k4dA12 ILE 393 HA 0.04 0.20 0.84 -0.75 4.18 4.51 2k4dA12 ILE 393 HB 0.06 -0.11 0.23 -0.04 1.89 2.02 2k4dA12 ILE 393 HG12 0.11 -0.01 -0.03 -0.04 1.49 1.53 2k4dA12 ILE 393 HG13 0.07 0.06 -0.03 -0.04 1.21 1.27 2k4dA12 ILE 393 HG23 0.03 -0.01 -0.03 -0.04 0.93 0.88 2k4dA12 ILE 393 HD13 0.10 -0.03 -0.15 -0.04 0.88 0.76 2k4dA12 GLU 394 H 0.02 0.72 0.35 -0.55 8.60 9.14 2k4dA12 GLU 394 HA -0.00 0.12 0.85 -0.75 4.29 4.51 2k4dA12 GLU 394 HB2 0.00 0.06 0.03 -0.04 2.09 2.15 2k4dA12 GLU 394 HB3 0.01 0.06 -0.10 -0.04 1.99 1.92 2k4dA12 GLU 394 HG2 0.01 -0.07 -0.41 -0.04 2.34 1.83 2k4dA12 GLU 394 HG3 0.01 -0.09 -0.18 -0.04 2.34 2.04 2k4dA12 PRO 395 HA -0.01 0.07 0.31 -0.51 4.44 4.31 2k4dA12 PRO 395 HB2 -0.01 0.08 0.09 -0.04 2.28 2.40 2k4dA12 PRO 395 HB3 -0.00 0.02 0.07 -0.04 2.02 2.07 2k4dA12 PRO 395 HG2 -0.02 0.06 -0.10 -0.04 2.03 1.94 2k4dA12 PRO 395 HG3 -0.01 0.05 0.01 -0.04 2.03 2.04 2k4dA12 PRO 395 HD2 -0.01 0.17 0.10 -0.04 3.68 3.90 2k4dA12 PRO 395 HD3 -0.00 0.08 0.15 -0.04 3.65 3.84 2k4dA12 CYS 396 H -0.04 0.14 -0.41 -0.55 8.50 7.64 2k4dA12 CYS 396 HA -0.14 0.02 0.32 -0.75 4.58 4.03 2k4dA12 CYS 396 HB2 -0.10 0.42 -0.02 -0.04 2.97 3.23 2k4dA12 CYS 396 HB3 -0.09 -0.01 0.03 -0.04 2.97 2.85 2k4dA12 GLY 397 H -0.04 0.78 0.15 -0.55 8.43 8.77 2k4dA12 GLY 397 HA2 0.03 -0.00 0.23 -0.51 4.01 3.75 2k4dA12 GLY 397 HA3 0.01 0.18 0.72 -0.51 4.01 4.42 2k4dA12 HIS 398 H 0.02 0.10 0.11 -0.55 8.41 8.10 2k4dA12 HIS 398 HA -0.03 0.26 1.07 -0.75 4.63 5.18 2k4dA12 HIS 398 HB2 0.01 -0.06 0.08 -0.04 3.26 3.25 2k4dA12 HIS 398 HB3 -0.08 0.01 0.01 -0.04 3.20 3.09 2k4dA12 HIS 398 HD2 -0.04 0.25 -0.42 -0.04 6.97 6.72 2k4dA12 HIS 398 HE1 -0.03 -0.01 -0.04 -0.04 7.75 7.63 2k4dA12 LEU 399 H 0.02 0.20 0.19 -0.55 8.37 8.24 2k4dA12 LEU 399 HA 0.03 0.28 0.91 -0.75 4.35 4.82 2k4dA12 LEU 399 HB2 -0.09 -0.03 0.10 -0.04 1.64 1.58 2k4dA12 LEU 399 HB3 -0.11 0.02 -0.02 -0.04 1.64 1.48 2k4dA12 LEU 399 HG 0.16 0.04 -0.06 -0.04 1.64 1.73 2k4dA12 LEU 399 HD13 0.08 0.00 -0.27 -0.04 0.93 0.70 2k4dA12 LEU 399 HD23 0.21 -0.01 0.01 -0.04 0.89 1.07 2k4dA12 MET 400 H 0.02 0.75 0.37 -0.55 8.47 9.06 2k4dA12 MET 400 HA 0.03 -0.01 0.50 -0.75 4.52 4.29 2k4dA12 MET 400 HB2 0.11 -0.17 0.21 -0.04 2.15 2.26 2k4dA12 MET 400 HB3 0.22 0.17 -0.10 -0.04 2.03 2.28 2k4dA12 MET 400 HG2 0.10 0.10 -0.20 -0.04 2.63 2.59 2k4dA12 MET 400 HG3 0.08 0.04 -0.26 -0.04 2.56 2.38 2k4dA12 MET 400 HE3 0.31 0.00 -0.16 -0.04 2.10 2.21 2k4dA12 CYS 401 H 0.03 0.11 0.20 -0.55 8.50 8.30 2k4dA12 CYS 401 HA 0.01 0.06 1.22 -0.75 4.58 5.11 2k4dA12 CYS 401 HB2 0.01 0.00 0.16 -0.04 2.97 3.10 2k4dA12 CYS 401 HB3 -0.00 0.28 -0.09 -0.04 2.97 3.11 2k4dA12 THR 402 H 0.02 0.25 0.19 -0.55 8.28 8.19 2k4dA12 THR 402 HA 0.04 0.11 0.36 -0.75 4.39 4.15 2k4dA12 THR 402 HB 0.02 0.03 0.07 -0.04 4.32 4.40 2k4dA12 THR 402 HG23 0.02 0.03 -0.03 -0.04 1.22 1.21 2k4dA12 SER 403 H 0.02 0.04 -0.27 -0.55 8.46 7.69 2k4dA12 SER 403 HA 0.02 0.16 0.37 -0.75 4.49 4.29 2k4dA12 SER 403 HB2 0.01 0.06 0.09 -0.04 3.95 4.08 2k4dA12 SER 403 HB3 0.01 -0.13 0.09 -0.04 3.93 3.86 2k4dA12 CYS 404 H 0.02 0.05 -0.14 -0.55 8.50 7.89 2k4dA12 CYS 404 HA 0.02 0.14 0.36 -0.75 4.58 4.34 2k4dA12 CYS 404 HB2 0.01 0.03 0.13 -0.04 2.97 3.10 2k4dA12 CYS 404 HB3 -0.05 0.08 0.04 -0.04 2.97 3.00 2k4dA12 LEU 405 H 0.06 0.36 -0.21 -0.55 8.37 8.03 2k4dA12 LEU 405 HA 0.18 0.04 0.24 -0.75 4.35 4.06 2k4dA12 LEU 405 HB2 0.09 -0.04 -0.02 -0.04 1.64 1.63 2k4dA12 LEU 405 HB3 0.07 0.04 0.08 -0.04 1.64 1.79 2k4dA12 LEU 405 HG 0.10 0.06 -0.17 -0.04 1.64 1.59 2k4dA12 LEU 405 HD13 0.19 -0.00 -0.03 -0.04 0.93 1.04 2k4dA12 LEU 405 HD23 0.07 -0.00 -0.14 -0.04 0.89 0.78 2k4dA12 THR 406 H 0.06 0.53 -0.25 -0.55 8.28 8.08 2k4dA12 THR 406 HA 0.04 0.06 0.35 -0.75 4.39 4.09 2k4dA12 THR 406 HB 0.03 0.04 0.12 -0.04 4.32 4.47 2k4dA12 THR 406 HG23 0.01 -0.00 -0.05 -0.04 1.22 1.14 2k4dA12 SER 407 H 0.07 0.40 -0.11 -0.55 8.46 8.27 2k4dA12 SER 407 HA 0.04 0.04 0.30 -0.75 4.49 4.12 2k4dA12 SER 407 HB2 0.09 0.18 0.21 -0.04 3.95 4.39 2k4dA12 SER 407 HB3 0.07 -0.01 0.02 -0.04 3.93 3.97 2k4dA12 TRP 408 H 0.25 0.49 -0.26 -0.55 7.97 7.91 2k4dA12 TRP 408 HA -0.02 0.08 0.46 -0.75 4.62 4.39 2k4dA12 TRP 408 HB2 -0.03 -0.02 0.07 -0.04 3.23 3.21 2k4dA12 TRP 408 HB3 -0.01 0.09 0.13 -0.04 3.23 3.40 2k4dA12 TRP 408 HD1 0.01 -0.01 -0.08 -0.04 7.22 7.11 2k4dA12 TRP 408 HE1 0.02 0.71 -0.37 -0.04 10.20 10.51 2k4dA12 TRP 408 HE3 -0.02 0.01 0.03 -0.04 7.59 7.57 2k4dA12 TRP 408 HZ2 0.01 0.14 -0.18 -0.04 7.44 7.37 2k4dA12 TRP 408 HZ3 -0.02 0.03 -0.03 -0.04 7.13 7.08 2k4dA12 TRP 408 HH2 -0.00 0.04 -0.05 -0.04 7.19 7.14 2k4dA12 GLN 409 H 0.06 0.52 -0.14 -0.55 8.47 8.37 2k4dA12 GLN 409 HA -0.34 0.01 0.10 -0.75 4.36 3.37 2k4dA12 GLN 409 HB2 -0.02 0.04 0.15 -0.04 2.15 2.27 2k4dA12 GLN 409 HB3 -0.07 0.01 -0.00 -0.04 2.02 1.92 2k4dA12 GLN 409 HG2 -0.04 0.03 0.07 -0.04 2.40 2.42 2k4dA12 GLN 409 HG3 0.07 0.18 0.10 -0.04 2.39 2.69 2k4dA12 GLN 409 HE21 0.01 -0.05 -0.05 -0.04 6.97 6.83 2k4dA12 GLN 409 HE22 -0.02 0.05 -0.03 -0.04 7.69 7.65 2k4dA12 GLU 410 H -0.05 0.65 -0.22 -0.55 8.60 8.43 2k4dA12 GLU 410 HA -0.07 0.03 0.35 -0.75 4.29 3.85 2k4dA12 GLU 410 HB2 -0.01 0.12 0.09 -0.04 2.09 2.25 2k4dA12 GLU 410 HB3 -0.03 -0.06 0.04 -0.04 1.99 1.91 2k4dA12 GLU 410 HG2 -0.02 -0.04 -0.01 -0.04 2.34 2.23 2k4dA12 GLU 410 HG3 -0.01 0.21 -0.05 -0.04 2.34 2.45 2k4dA12 SER 411 H -0.17 0.25 -0.58 -0.55 8.46 7.41 2k4dA12 SER 411 HA -0.10 0.16 0.87 -0.75 4.49 4.67 2k4dA12 SER 411 HB2 -0.01 -0.01 0.00 -0.04 3.95 3.89 2k4dA12 SER 411 HB3 -0.09 0.03 0.10 -0.04 3.93 3.92 2k4dA12 GLU 412 H -0.45 0.23 -0.25 -0.55 8.60 7.58 2k4dA12 GLU 412 HA -0.31 0.05 0.43 -0.75 4.29 3.70 2k4dA12 GLU 412 HB2 -0.47 0.25 -0.05 -0.04 2.09 1.78 2k4dA12 GLU 412 HB3 -1.43 -0.18 0.02 -0.04 1.99 0.36 2k4dA12 GLU 412 HG2 -0.34 -0.15 -0.17 -0.04 2.34 1.64 2k4dA12 GLU 412 HG3 -0.22 0.04 0.07 -0.04 2.34 2.19 2k4dA12 GLY 413 H -1.85 0.21 -0.01 -0.55 8.43 6.24 2k4dA12 GLY 413 HA2 -0.79 0.00 0.08 -0.51 4.01 2.79 2k4dA12 GLY 413 HA3 -0.32 0.07 0.49 -0.51 4.01 3.73 2k4dA12 GLN 414 H -0.29 0.07 -0.25 -0.55 8.47 7.45 2k4dA12 GLN 414 HA 0.02 0.18 0.95 -0.75 4.36 4.75 2k4dA12 GLN 414 HB2 -0.06 0.04 -0.06 -0.04 2.15 2.04 2k4dA12 GLN 414 HB3 0.02 -0.01 0.13 -0.04 2.02 2.12 2k4dA12 GLN 414 HG2 0.06 0.03 -0.06 -0.04 2.40 2.38 2k4dA12 GLN 414 HG3 0.02 -0.00 -0.01 -0.04 2.39 2.36 2k4dA12 GLN 414 HE21 0.01 -0.02 -0.00 -0.04 6.97 6.91 2k4dA12 GLN 414 HE22 0.03 -0.00 -0.02 -0.04 7.69 7.66 2k4dA12 GLY 415 H 0.14 0.33 -0.15 -0.55 8.43 8.20 2k4dA12 GLY 415 HA2 0.14 0.13 -0.01 -0.51 4.01 3.76 2k4dA12 GLY 415 HA3 0.19 0.32 0.42 -0.51 4.01 4.42 2k4dA12 CYS 416 H 0.15 0.41 -0.01 -0.55 8.50 8.50 2k4dA12 CYS 416 HA 0.21 0.12 0.35 -0.75 4.58 4.50 2k4dA12 CYS 416 HB2 0.24 -0.32 0.01 -0.04 2.97 2.87 2k4dA12 CYS 416 HB3 0.27 0.02 0.05 -0.04 2.97 3.27 2k4dA12 PRO 417 HA -1.90 0.17 0.24 -0.51 4.44 2.44 2k4dA12 PRO 417 HB2 -0.69 0.05 -0.08 -0.04 2.28 1.51 2k4dA12 PRO 417 HB3 -0.80 0.07 0.05 -0.04 2.02 1.30 2k4dA12 PRO 417 HG2 -0.18 -0.04 0.01 -0.04 2.03 1.78 2k4dA12 PRO 417 HG3 -0.11 0.01 -0.06 -0.04 2.03 1.83 2k4dA12 PRO 417 HD2 0.12 0.02 0.16 -0.04 3.68 3.94 2k4dA12 PRO 417 HD3 0.13 0.23 0.12 -0.04 3.65 4.09 2k4dA12 PHE 418 H 0.11 -0.07 -0.44 -0.55 8.34 7.39 2k4dA12 PHE 418 HA -0.17 0.16 0.41 -0.75 4.62 4.26 2k4dA12 PHE 418 HB2 -0.06 -0.21 0.11 -0.04 3.15 2.95 2k4dA12 PHE 418 HB3 -0.10 0.10 -0.03 -0.04 3.06 2.98 2k4dA12 PHE 418 HD2 -0.09 0.00 -0.03 -0.04 7.28 7.13 2k4dA12 PHE 418 HE2 -0.07 0.02 -0.07 -0.04 7.38 7.22 2k4dA12 PHE 418 HZ -0.07 -0.22 -0.02 -0.04 7.32 6.97 2k4dA12 CYS 419 H 0.22 -0.07 -0.02 -0.55 8.50 8.08 2k4dA12 CYS 419 HA 0.08 0.16 0.31 -0.75 4.58 4.37 2k4dA12 CYS 419 HB2 0.15 0.02 -0.03 -0.04 2.97 3.07 2k4dA12 CYS 419 HB3 0.14 0.06 0.02 -0.04 2.97 3.15 2k4dA12 ARG 420 H 0.09 0.17 -0.22 -0.55 8.46 7.95 2k4dA12 ARG 420 HA 0.18 0.11 0.02 -0.75 4.34 3.89 2k4dA12 ARG 420 HB2 0.09 0.11 -0.19 -0.04 1.90 1.87 2k4dA12 ARG 420 HB3 0.13 -0.00 0.25 -0.04 1.80 2.14 2k4dA12 ARG 420 HG2 0.22 -0.07 -0.06 -0.04 1.67 1.72 2k4dA12 ARG 420 HG3 0.41 0.11 -0.14 -0.04 1.67 2.01 2k4dA12 ARG 420 HD2 -0.10 -0.07 -0.17 -0.04 3.22 2.83 2k4dA12 ARG 420 HD3 -0.09 0.13 -0.39 -0.04 3.22 2.83 2k4dA12 CYS 421 H 0.10 -0.11 -0.25 -0.55 8.50 7.69 2k4dA12 CYS 421 HA 0.04 0.24 0.52 -0.75 4.58 4.63 2k4dA12 CYS 421 HB2 -0.03 -0.00 0.04 -0.04 2.97 2.94 2k4dA12 CYS 421 HB3 0.03 0.11 -0.04 -0.04 2.97 3.03 2k4dA12 GLU 422 H 0.00 0.14 0.09 -0.55 8.60 8.28 2k4dA12 GLU 422 HA 0.02 0.06 0.24 -0.75 4.29 3.87 2k4dA12 GLU 422 HB2 -0.02 -0.06 0.07 -0.04 2.09 2.04 2k4dA12 GLU 422 HB3 -0.00 0.05 -0.07 -0.04 1.99 1.93 2k4dA12 GLU 422 HG2 -0.00 0.03 0.01 -0.04 2.34 2.34 2k4dA12 GLU 422 HG3 0.01 0.06 0.06 -0.04 2.34 2.42 2k4dA12 ILE 423 H 0.04 0.20 0.08 -0.55 8.25 8.02 2k4dA12 ILE 423 HA 0.03 0.13 0.94 -0.75 4.18 4.53 2k4dA12 ILE 423 HB 0.06 0.05 0.17 -0.04 1.89 2.12 2k4dA12 ILE 423 HG12 0.09 -0.05 -0.09 -0.04 1.49 1.40 2k4dA12 ILE 423 HG13 0.11 -0.03 -0.21 -0.04 1.21 1.04 2k4dA12 ILE 423 HG23 0.05 0.02 -0.17 -0.04 0.93 0.78 2k4dA12 ILE 423 HD13 0.18 0.05 -0.27 -0.04 0.88 0.79 2k4dA12 LYS 424 H 0.01 0.68 0.37 -0.55 8.42 8.93 2k4dA12 LYS 424 HA 0.01 0.21 1.01 -0.75 4.32 4.80 2k4dA12 LYS 424 HB2 0.01 -0.05 -0.02 -0.04 1.87 1.77 2k4dA12 LYS 424 HB3 0.01 -0.05 -0.08 -0.04 1.79 1.62 2k4dA12 LYS 424 HG2 0.00 0.03 0.05 -0.04 1.46 1.50 2k4dA12 LYS 424 HG3 0.00 -0.03 -0.04 -0.04 1.46 1.36 2k4dA12 LYS 424 HD2 0.01 0.03 -0.21 -0.04 1.69 1.48 2k4dA12 LYS 424 HD3 0.00 -0.01 -0.05 -0.04 1.68 1.59 2k4dA12 LYS 424 HE2 0.00 -0.01 -0.10 -0.04 2.99 2.84 2k4dA12 LYS 424 HE3 0.01 -0.03 -0.24 -0.04 2.99 2.69 2k4dA12 GLY 425 H 0.01 0.37 0.30 -0.55 8.43 8.57 2k4dA12 GLY 425 HA2 0.02 0.22 0.65 -0.51 4.01 4.38 2k4dA12 GLY 425 HA3 0.01 0.03 0.34 -0.51 4.01 3.88 2k4dA12 THR 426 H 0.02 0.30 0.20 -0.55 8.28 8.25 2k4dA12 THR 426 HA 0.03 0.23 1.07 -0.75 4.39 4.96 2k4dA12 THR 426 HB 0.03 -0.00 -0.09 -0.04 4.32 4.21 2k4dA12 THR 426 HG23 0.04 -0.00 -0.25 -0.04 1.22 0.97 2k4dA12 GLU 427 H 0.03 0.81 0.39 -0.55 8.60 9.28 2k4dA12 GLU 427 HA 0.02 0.22 0.98 -0.75 4.29 4.75 2k4dA12 GLU 427 HB2 0.02 -0.06 0.06 -0.04 2.09 2.08 2k4dA12 GLU 427 HB3 0.02 0.13 0.06 -0.04 1.99 2.16 2k4dA12 GLU 427 HG2 0.01 0.05 -0.07 -0.04 2.34 2.29 2k4dA12 GLU 427 HG3 0.02 -0.12 -0.22 -0.04 2.34 1.97 2k4dA12 PRO 428 HA 0.01 0.24 0.71 -0.51 4.44 4.90 2k4dA12 PRO 428 HB2 0.01 0.07 -0.03 -0.04 2.28 2.30 2k4dA12 PRO 428 HB3 0.01 0.01 0.15 -0.04 2.02 2.15 2k4dA12 PRO 428 HG2 0.01 0.02 0.10 -0.04 2.03 2.13 2k4dA12 PRO 428 HG3 0.01 0.04 0.10 -0.04 2.03 2.14 2k4dA12 PRO 428 HD2 0.02 0.08 0.30 -0.04 3.68 4.04 2k4dA12 PRO 428 HD3 0.01 0.16 0.17 -0.04 3.65 3.95 2k4dA12 ILE 429 H 0.01 0.29 0.15 -0.55 8.25 8.15 2k4dA12 ILE 429 HA 0.03 0.15 0.71 -0.75 4.18 4.31 2k4dA12 ILE 429 HB -0.01 0.13 -0.04 -0.04 1.89 1.93 2k4dA12 ILE 429 HG12 0.03 0.03 -0.31 -0.04 1.49 1.20 2k4dA12 ILE 429 HG13 0.01 -0.03 -0.52 -0.04 1.21 0.63 2k4dA12 ILE 429 HG23 0.03 -0.01 -0.21 -0.04 0.93 0.70 2k4dA12 ILE 429 HD13 -0.03 0.01 -0.49 -0.04 0.88 0.33 2k4dA12 VAL 430 H 0.04 0.27 0.12 -0.55 8.24 8.13 2k4dA12 VAL 430 HA 0.03 0.14 0.76 -0.75 4.13 4.30 2k4dA12 VAL 430 HB 0.02 0.02 0.02 -0.04 2.12 2.14 2k4dA12 VAL 430 HG13 0.02 0.00 -0.20 -0.04 0.97 0.75 2k4dA12 VAL 430 HG23 0.03 -0.00 -0.01 -0.04 0.95 0.93 2k4dA12 VAL 431 H 0.04 0.33 0.16 -0.55 8.24 8.21 2k4dA12 VAL 431 HA 0.06 0.13 0.65 -0.75 4.13 4.22 2k4dA12 VAL 431 HB 0.11 0.03 0.03 -0.04 2.12 2.25 2k4dA12 VAL 431 HG13 0.18 0.01 -0.08 -0.04 0.97 1.03 2k4dA12 VAL 431 HG23 0.06 -0.00 -0.18 -0.04 0.95 0.78 2k4dA12 ASP 432 H 0.06 0.11 0.11 -0.55 8.40 8.14 2k4dA12 ASP 432 HA 0.05 0.12 0.37 -0.75 4.63 4.42 2k4dA12 ASP 432 HB2 0.07 -0.04 0.13 -0.04 2.71 2.83 2k4dA12 ASP 432 HB3 0.07 0.06 -0.05 -0.04 2.70 2.74 2k4dA12 PRO 433 HA 0.08 0.05 0.49 -0.51 4.44 4.55 2k4dA12 PRO 433 HB2 0.02 -0.00 0.01 -0.04 2.28 2.27 2k4dA12 PRO 433 HB3 0.03 0.06 0.08 -0.04 2.02 2.15 2k4dA12 PRO 433 HG2 0.02 0.02 0.14 -0.04 2.03 2.17 2k4dA12 PRO 433 HG3 0.02 0.04 0.11 -0.04 2.03 2.16 2k4dA12 PRO 433 HD2 0.04 0.06 0.16 -0.04 3.68 3.90 2k4dA12 PRO 433 HD3 0.04 0.23 0.27 -0.04 3.65 4.14 2k4dA12 PHE 434 H 0.20 0.23 0.14 -0.55 8.34 8.35 2k4dA12 PHE 434 HA 0.01 0.15 0.68 -0.75 4.62 4.70 2k4dA12 PHE 434 HB2 0.02 0.03 0.05 -0.04 3.15 3.21 2k4dA12 PHE 434 HB3 0.02 -0.04 0.10 -0.04 3.06 3.10 2k4dA12 PHE 434 HD2 0.01 0.00 -0.08 -0.04 7.28 7.17 2k4dA12 PHE 434 HE2 0.01 -0.01 -0.03 -0.04 7.38 7.32 2k4dA12 PHE 434 HZ 0.01 -0.01 -0.01 -0.04 7.32 7.27 2k4dA12 ASP 435 H 0.17 0.07 -0.09 -0.55 8.40 8.01 2k4dA12 ASP 435 HA -0.06 0.21 0.67 -0.75 4.63 4.70 2k4dA12 ASP 435 HB2 0.02 0.01 0.09 -0.04 2.71 2.79 2k4dA12 ASP 435 HB3 0.03 0.07 -0.11 -0.04 2.70 2.65 2k4dA12 PRO 436 HA 0.02 0.16 0.69 -0.51 4.44 4.79 2k4dA12 PRO 436 HB2 0.01 0.03 0.10 -0.04 2.28 2.38 2k4dA12 PRO 436 HB3 0.02 -0.01 0.04 -0.04 2.02 2.02 2k4dA12 PRO 436 HG2 -0.01 0.03 -0.14 -0.04 2.03 1.86 2k4dA12 PRO 436 HG3 -0.00 0.09 -0.05 -0.04 2.03 2.02 2k4dA12 PRO 436 HD2 -0.03 0.08 0.03 -0.04 3.68 3.71 2k4dA12 PRO 436 HD3 -0.02 0.21 -0.46 -0.04 3.65 3.34 2k4dA12 ARG 437 H -0.00 0.03 -0.35 -0.55 8.46 7.58 2k4dA12 ARG 437 HA -0.00 0.27 0.75 -0.75 4.34 4.61 2k4dA12 ARG 437 HB2 -0.02 0.01 0.03 -0.04 1.90 1.88 2k4dA12 ARG 437 HB3 -0.01 0.02 0.04 -0.04 1.80 1.81 2k4dA12 ARG 437 HG2 -0.01 0.05 -0.10 -0.04 1.67 1.57 2k4dA12 ARG 437 HG3 -0.01 -0.08 -0.32 -0.04 1.67 1.22 2k4dA12 ARG 437 HD2 -0.02 0.01 -0.05 -0.04 3.22 3.13 2k4dA12 ARG 437 HD3 -0.03 0.01 -0.03 -0.04 3.22 3.13