============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 9 1.000 9.150 5.779 -13.876 -99.200 -91.000 PHE 11 1.000 15.242 9.317 -15.662 -99.200 -91.000 HIS 17 0.900 25.905 16.007 -2.680 -99.200 -91.000 TYR 19 0.840 16.220 20.796 -2.358 -99.200 -91.000 PHE 40 1.000 7.872 19.590 -16.513 -99.200 -91.000 TRP 50 1.040 16.549 23.726 -9.137 -99.200 -91.000 TRP6 50 1.020 16.913 23.590 -6.821 -99.200 -91.000 TRP 59 1.040 5.591 3.832 -7.666 -99.200 -91.000 TRP6 59 1.020 7.501 3.316 -8.931 -99.200 -91.000 HIS 62 0.900 -1.826 5.732 -7.703 -99.200 -91.000 PHE 72 1.000 14.216 15.337 -8.608 -99.200 -91.000 PHE 76 1.000 19.855 16.692 -3.895 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1muzA12 GLY 402 HA2 -0.02 -0.11 0.25 -0.51 4.01 3.63 1muzA12 GLY 402 HA3 -0.04 -0.04 0.15 -0.51 4.01 3.57 1muzA12 ARG 403 H -0.06 0.12 0.13 -0.55 8.46 8.10 1muzA12 ARG 403 HA 0.05 0.19 1.06 -0.75 4.34 4.89 1muzA12 ARG 403 HB2 0.23 -0.06 0.09 -0.04 1.90 2.12 1muzA12 ARG 403 HB3 0.17 0.02 0.10 -0.04 1.80 2.05 1muzA12 ARG 403 HG2 0.01 -0.09 -0.30 -0.04 1.67 1.25 1muzA12 ARG 403 HG3 0.08 -0.19 -0.33 -0.04 1.67 1.19 1muzA12 ARG 403 HD2 0.44 0.18 0.05 -0.04 3.22 3.84 1muzA12 ARG 403 HD3 0.60 -0.04 -0.02 -0.04 3.22 3.71 1muzA12 LEU 404 H 0.03 0.03 0.19 -0.55 8.37 8.08 1muzA12 LEU 404 HA -0.07 0.20 0.83 -0.75 4.35 4.56 1muzA12 LEU 404 HB2 -0.02 -0.00 0.05 -0.04 1.64 1.62 1muzA12 LEU 404 HB3 -0.02 0.02 -0.00 -0.04 1.64 1.60 1muzA12 LEU 404 HG 0.02 -0.15 0.14 -0.04 1.64 1.62 1muzA12 LEU 404 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.80 1muzA12 LEU 404 HD23 0.01 0.01 0.03 -0.04 0.89 0.90 1muzA12 ASP 405 H 0.03 -0.07 0.12 -0.55 8.40 7.93 1muzA12 ASP 405 HA 0.01 0.08 0.46 -0.75 4.63 4.42 1muzA12 ASP 405 HB2 -0.16 0.02 -0.03 -0.04 2.71 2.49 1muzA12 ASP 405 HB3 -0.05 0.06 0.09 -0.04 2.70 2.76 1muzA12 LEU 406 H 0.02 0.09 0.15 -0.55 8.37 8.07 1muzA12 LEU 406 HA 0.36 0.23 0.82 -0.75 4.35 5.00 1muzA12 LEU 406 HB2 0.24 0.02 0.03 -0.04 1.64 1.89 1muzA12 LEU 406 HB3 0.10 -0.05 0.04 -0.04 1.64 1.69 1muzA12 LEU 406 HG -0.07 0.25 -0.31 -0.04 1.64 1.46 1muzA12 LEU 406 HD13 0.08 -0.01 -0.06 -0.04 0.93 0.90 1muzA12 LEU 406 HD23 0.03 -0.04 -0.13 -0.04 0.89 0.70 1muzA12 PRO 407 HA -0.16 0.15 0.54 -0.51 4.44 4.46 1muzA12 PRO 407 HB2 -0.21 0.04 -0.08 -0.04 2.28 2.00 1muzA12 PRO 407 HB3 -0.28 0.03 0.03 -0.04 2.02 1.75 1muzA12 PRO 407 HG2 -0.80 -0.02 0.00 -0.04 2.03 1.17 1muzA12 PRO 407 HG3 -1.19 0.03 0.01 -0.04 2.03 0.84 1muzA12 PRO 407 HD2 -0.64 0.08 0.14 -0.04 3.68 3.22 1muzA12 PRO 407 HD3 -0.60 0.19 0.17 -0.04 3.65 3.38 1muzA12 PRO 408 HA 0.01 0.07 0.56 -0.51 4.44 4.58 1muzA12 PRO 408 HB2 0.01 0.04 0.01 -0.04 2.28 2.30 1muzA12 PRO 408 HB3 0.01 0.02 0.11 -0.04 2.02 2.11 1muzA12 PRO 408 HG2 0.01 0.04 0.10 -0.04 2.03 2.13 1muzA12 PRO 408 HG3 0.00 0.04 0.10 -0.04 2.03 2.13 1muzA12 PRO 408 HD2 -0.04 0.07 0.21 -0.04 3.68 3.88 1muzA12 PRO 408 HD3 -0.06 0.21 0.27 -0.04 3.65 4.03 1muzA12 GLY 409 H 0.02 0.15 0.16 -0.55 8.43 8.22 1muzA12 GLY 409 HA2 -0.01 -0.01 0.39 -0.51 4.01 3.87 1muzA12 GLY 409 HA3 -0.01 0.14 0.60 -0.51 4.01 4.23 1muzA12 PHE 410 H 0.07 0.12 -0.90 -0.55 8.34 7.08 1muzA12 PHE 410 HA -0.20 -0.02 0.30 -0.75 4.62 3.94 1muzA12 PHE 410 HB2 -0.29 -0.05 -0.04 -0.04 3.15 2.72 1muzA12 PHE 410 HB3 -0.15 0.13 0.01 -0.04 3.06 3.01 1muzA12 PHE 410 HD2 -0.20 -0.02 -0.22 -0.04 7.28 6.80 1muzA12 PHE 410 HE2 -0.04 -0.02 -0.27 -0.04 7.38 7.01 1muzA12 PHE 410 HZ 0.11 -0.10 -0.13 -0.04 7.32 7.16 1muzA12 MET 411 H -0.94 0.52 0.32 -0.55 8.47 7.81 1muzA12 MET 411 HA -0.48 0.21 1.05 -0.75 4.52 4.55 1muzA12 MET 411 HB2 -1.06 -0.10 0.29 -0.04 2.15 1.24 1muzA12 MET 411 HB3 -0.48 -0.08 0.05 -0.04 2.03 1.47 1muzA12 MET 411 HG2 -0.27 0.12 -0.10 -0.04 2.63 2.33 1muzA12 MET 411 HG3 -0.39 0.06 -0.18 -0.04 2.56 2.01 1muzA12 MET 411 HE3 -0.31 -0.03 -0.29 -0.04 2.10 1.43 1muzA12 PHE 412 H -1.15 0.22 0.35 -0.55 8.34 7.21 1muzA12 PHE 412 HA -0.20 0.14 0.58 -0.75 4.62 4.39 1muzA12 PHE 412 HB2 -0.01 0.16 0.15 -0.04 3.15 3.42 1muzA12 PHE 412 HB3 -0.14 0.12 -0.06 -0.04 3.06 2.94 1muzA12 PHE 412 HD2 -0.08 0.13 -0.37 -0.04 7.28 6.92 1muzA12 PHE 412 HE2 -0.03 -0.01 -0.10 -0.04 7.38 7.20 1muzA12 PHE 412 HZ -0.04 -0.02 -0.07 -0.04 7.32 7.15 1muzA12 LYS 413 H 0.41 0.26 0.26 -0.55 8.42 8.80 1muzA12 LYS 413 HA 0.28 0.06 0.89 -0.75 4.32 4.80 1muzA12 LYS 413 HB2 0.33 -0.00 0.16 -0.04 1.87 2.32 1muzA12 LYS 413 HB3 0.21 0.06 0.03 -0.04 1.79 2.05 1muzA12 LYS 413 HG2 0.33 -0.05 -0.07 -0.04 1.46 1.63 1muzA12 LYS 413 HG3 0.32 0.00 -0.02 -0.04 1.46 1.72 1muzA12 LYS 413 HD2 0.16 0.10 -0.15 -0.04 1.69 1.76 1muzA12 LYS 413 HD3 0.19 -0.12 -0.17 -0.04 1.68 1.55 1muzA12 LYS 413 HE2 0.14 0.07 -0.13 -0.04 2.99 3.03 1muzA12 LYS 413 HE3 0.10 -0.06 0.15 -0.04 2.99 3.14 1muzA12 VAL 414 H 0.16 0.91 0.55 -0.55 8.24 9.31 1muzA12 VAL 414 HA 0.18 -0.00 1.18 -0.75 4.13 4.73 1muzA12 VAL 414 HB 0.22 0.16 0.07 -0.04 2.12 2.52 1muzA12 VAL 414 HG13 0.40 -0.01 -0.19 -0.04 0.97 1.13 1muzA12 VAL 414 HG23 0.10 -0.11 -0.14 -0.04 0.95 0.77 1muzA12 GLN 415 H 0.08 1.05 0.37 -0.55 8.47 9.42 1muzA12 GLN 415 HA 0.04 0.33 1.24 -0.75 4.36 5.21 1muzA12 GLN 415 HB2 0.03 -0.01 -0.09 -0.04 2.15 2.05 1muzA12 GLN 415 HB3 0.01 -0.04 0.03 -0.04 2.02 1.98 1muzA12 GLN 415 HG2 -0.01 -0.06 -0.06 -0.04 2.40 2.23 1muzA12 GLN 415 HG3 -0.02 0.18 -0.18 -0.04 2.39 2.33 1muzA12 GLN 415 HE21 0.02 -0.04 -0.10 -0.04 6.97 6.80 1muzA12 GLN 415 HE22 0.02 -0.04 -0.06 -0.04 7.69 7.57 1muzA12 ALA 416 H 0.01 0.47 0.25 -0.55 8.40 8.59 1muzA12 ALA 416 HA -0.15 0.06 0.61 -0.75 4.34 4.12 1muzA12 ALA 416 HB3 0.04 0.04 0.05 -0.04 1.41 1.50 1muzA12 GLN 417 H -0.48 0.38 0.37 -0.55 8.47 8.20 1muzA12 GLN 417 HA -0.20 0.20 0.98 -0.75 4.36 4.59 1muzA12 GLN 417 HB2 -0.14 0.06 -0.04 -0.04 2.15 1.98 1muzA12 GLN 417 HB3 -0.21 -0.01 0.10 -0.04 2.02 1.86 1muzA12 GLN 417 HG2 -0.10 0.09 -0.32 -0.04 2.40 2.03 1muzA12 GLN 417 HG3 -0.14 -0.06 -0.15 -0.04 2.39 1.99 1muzA12 GLN 417 HE21 -0.05 0.13 -0.58 -0.04 6.97 6.43 1muzA12 GLN 417 HE22 -0.03 -0.04 -0.12 -0.04 7.69 7.46 1muzA12 HIS 418 H -0.55 0.14 0.17 -0.55 8.41 7.62 1muzA12 HIS 418 HA -0.01 0.19 0.75 -0.75 4.63 4.81 1muzA12 HIS 418 HB2 -0.12 0.06 -0.02 -0.04 3.26 3.14 1muzA12 HIS 418 HB3 0.21 -0.03 0.07 -0.04 3.20 3.41 1muzA12 HIS 418 HD2 -0.22 0.02 -0.21 -0.04 6.97 6.51 1muzA12 HIS 418 HE1 -0.00 -0.03 0.01 -0.04 7.75 7.69 1muzA12 ASP 419 H 0.31 0.26 0.14 -0.55 8.40 8.56 1muzA12 ASP 419 HA 0.34 0.22 1.00 -0.75 4.63 5.44 1muzA12 ASP 419 HB2 0.13 -0.06 0.15 -0.04 2.71 2.88 1muzA12 ASP 419 HB3 0.15 0.05 0.26 -0.04 2.70 3.12 1muzA12 TYR 420 H 0.40 0.47 0.14 -0.55 8.29 8.75 1muzA12 TYR 420 HA 0.02 0.16 0.97 -0.75 4.56 4.96 1muzA12 TYR 420 HB2 -0.57 0.02 -0.02 -0.04 3.06 2.44 1muzA12 TYR 420 HB3 -1.08 -0.01 0.13 -0.04 2.98 1.98 1muzA12 TYR 420 HD2 -0.13 -0.01 0.04 -0.04 7.15 7.01 1muzA12 TYR 420 HE2 0.20 0.13 0.04 -0.04 6.85 7.17 1muzA12 THR 421 H -0.07 0.20 0.09 -0.55 8.28 7.95 1muzA12 THR 421 HA -0.22 0.03 0.59 -0.75 4.39 4.03 1muzA12 THR 421 HB -0.06 0.01 0.16 -0.04 4.32 4.39 1muzA12 THR 421 HG23 -0.07 0.00 -0.14 -0.04 1.22 0.97 1muzA12 ALA 422 H -0.36 0.17 0.19 -0.55 8.40 7.86 1muzA12 ALA 422 HA -0.30 0.17 0.88 -0.75 4.34 4.33 1muzA12 ALA 422 HB3 -0.25 0.02 -0.06 -0.04 1.41 1.08 1muzA12 THR 423 H -0.07 0.24 0.03 -0.55 8.28 7.93 1muzA12 THR 423 HA -0.04 0.20 0.95 -0.75 4.39 4.75 1muzA12 THR 423 HB -0.02 0.03 0.04 -0.04 4.32 4.33 1muzA12 THR 423 HG23 -0.05 0.00 -0.23 -0.04 1.22 0.90 1muzA12 ASP 424 H -0.01 0.27 0.05 -0.55 8.40 8.17 1muzA12 ASP 424 HA -0.01 0.26 0.77 -0.75 4.63 4.88 1muzA12 ASP 424 HB2 -0.00 0.01 -0.27 -0.04 2.71 2.40 1muzA12 ASP 424 HB3 0.01 -0.19 -0.17 -0.04 2.70 2.31 1muzA12 THR 425 H -0.01 0.19 0.09 -0.55 8.28 8.00 1muzA12 THR 425 HA -0.00 0.20 0.71 -0.75 4.39 4.55 1muzA12 THR 425 HB -0.01 -0.02 0.07 -0.04 4.32 4.32 1muzA12 THR 425 HG23 -0.00 0.01 -0.07 -0.04 1.22 1.12 1muzA12 ASP 426 H 0.01 -0.12 -0.52 -0.55 8.40 7.23 1muzA12 ASP 426 HA 0.02 0.22 0.32 -0.75 4.63 4.44 1muzA12 ASP 426 HB2 0.01 -0.14 -0.22 -0.04 2.71 2.32 1muzA12 ASP 426 HB3 0.03 -0.03 0.12 -0.04 2.70 2.78 1muzA12 GLU 427 H 0.03 0.22 0.05 -0.55 8.60 8.35 1muzA12 GLU 427 HA 0.10 0.11 1.07 -0.75 4.29 4.81 1muzA12 GLU 427 HB2 0.10 0.06 0.02 -0.04 2.09 2.24 1muzA12 GLU 427 HB3 0.05 -0.01 -0.12 -0.04 1.99 1.87 1muzA12 GLU 427 HG2 -0.01 -0.09 -0.68 -0.04 2.34 1.51 1muzA12 GLU 427 HG3 0.01 -0.16 -0.06 -0.04 2.34 2.09 1muzA12 LEU 428 H 0.22 0.49 0.26 -0.55 8.37 8.79 1muzA12 LEU 428 HA 0.07 0.20 0.98 -0.75 4.35 4.85 1muzA12 LEU 428 HB2 0.19 -0.20 -0.30 -0.04 1.64 1.28 1muzA12 LEU 428 HB3 0.18 -0.03 -0.21 -0.04 1.64 1.53 1muzA12 LEU 428 HG -0.01 0.16 -0.24 -0.04 1.64 1.51 1muzA12 LEU 428 HD13 -0.01 -0.05 -0.11 -0.04 0.93 0.72 1muzA12 LEU 428 HD23 0.05 0.03 -0.06 -0.04 0.89 0.87 1muzA12 GLN 429 H 0.04 0.17 0.13 -0.55 8.47 8.26 1muzA12 GLN 429 HA -0.07 0.15 0.75 -0.75 4.36 4.44 1muzA12 GLN 429 HB2 -0.03 0.07 0.15 -0.04 2.15 2.30 1muzA12 GLN 429 HB3 0.01 -0.02 0.06 -0.04 2.02 2.03 1muzA12 GLN 429 HG2 -0.01 0.01 -0.15 -0.04 2.40 2.21 1muzA12 GLN 429 HG3 -0.13 -0.02 0.22 -0.04 2.39 2.42 1muzA12 GLN 429 HE21 -0.11 -0.01 0.08 -0.04 6.97 6.89 1muzA12 GLN 429 HE22 -0.05 0.03 -0.05 -0.04 7.69 7.58 1muzA12 LEU 430 H 0.09 0.51 0.31 -0.55 8.37 8.73 1muzA12 LEU 430 HA 0.17 0.13 0.89 -0.75 4.35 4.79 1muzA12 LEU 430 HB2 0.42 0.04 0.09 -0.04 1.64 2.15 1muzA12 LEU 430 HB3 0.72 0.01 -0.03 -0.04 1.64 2.30 1muzA12 LEU 430 HG 0.47 -0.01 -0.18 -0.04 1.64 1.89 1muzA12 LEU 430 HD13 0.07 -0.01 -0.12 -0.04 0.93 0.82 1muzA12 LEU 430 HD23 0.13 0.09 -0.57 -0.04 0.89 0.50 1muzA12 LYS 431 H 0.15 0.18 0.09 -0.55 8.42 8.28 1muzA12 LYS 431 HA 0.16 0.06 0.97 -0.75 4.32 4.76 1muzA12 LYS 431 HB2 0.06 0.07 -0.09 -0.04 1.87 1.88 1muzA12 LYS 431 HB3 0.07 -0.00 -0.16 -0.04 1.79 1.66 1muzA12 LYS 431 HG2 0.06 -0.02 -0.16 -0.04 1.46 1.30 1muzA12 LYS 431 HG3 0.04 0.08 -0.14 -0.04 1.46 1.40 1muzA12 LYS 431 HD2 0.07 -0.11 -0.02 -0.04 1.69 1.60 1muzA12 LYS 431 HD3 0.05 -0.02 0.01 -0.04 1.68 1.68 1muzA12 LYS 431 HE2 0.04 0.03 -0.10 -0.04 2.99 2.92 1muzA12 LYS 431 HE3 0.04 0.01 -0.12 -0.04 2.99 2.87 1muzA12 ALA 432 H 0.12 0.02 -0.36 -0.55 8.40 7.63 1muzA12 ALA 432 HA -0.05 -0.07 -0.23 -0.75 4.34 3.24 1muzA12 ALA 432 HB3 -0.01 -0.00 -0.08 -0.04 1.41 1.28 1muzA12 GLY 433 H -0.06 0.03 -0.10 -0.55 8.43 7.76 1muzA12 GLY 433 HA2 -0.03 0.13 0.40 -0.51 4.01 4.00 1muzA12 GLY 433 HA3 -0.02 0.07 0.76 -0.51 4.01 4.31 1muzA12 ASP 434 H 0.01 -0.07 0.31 -0.55 8.40 8.11 1muzA12 ASP 434 HA 0.03 0.26 1.03 -0.75 4.63 5.20 1muzA12 ASP 434 HB2 0.07 0.11 0.15 -0.04 2.71 3.01 1muzA12 ASP 434 HB3 0.07 -0.08 0.06 -0.04 2.70 2.71 1muzA12 VAL 435 H 0.04 0.14 0.26 -0.55 8.24 8.13 1muzA12 VAL 435 HA 0.05 0.43 1.22 -0.75 4.13 5.08 1muzA12 VAL 435 HB 0.09 0.02 0.08 -0.04 2.12 2.27 1muzA12 VAL 435 HG13 0.05 0.06 -0.04 -0.04 0.97 0.99 1muzA12 VAL 435 HG23 0.05 -0.05 0.19 -0.04 0.95 1.10 1muzA12 VAL 436 H 0.03 0.67 0.28 -0.55 8.24 8.68 1muzA12 VAL 436 HA -0.04 0.22 0.97 -0.75 4.13 4.52 1muzA12 VAL 436 HB -0.22 -0.06 -0.17 -0.04 2.12 1.63 1muzA12 VAL 436 HG13 -0.76 -0.01 -0.41 -0.04 0.97 -0.24 1muzA12 VAL 436 HG23 -0.16 -0.03 -0.36 -0.04 0.95 0.36 1muzA12 LEU 437 H -0.06 1.15 0.40 -0.55 8.37 9.31 1muzA12 LEU 437 HA 0.11 0.19 1.08 -0.75 4.35 4.97 1muzA12 LEU 437 HB2 -0.09 -0.00 -0.10 -0.04 1.64 1.41 1muzA12 LEU 437 HB3 0.07 0.02 -0.05 -0.04 1.64 1.64 1muzA12 LEU 437 HG -0.12 0.14 -0.01 -0.04 1.64 1.61 1muzA12 LEU 437 HD13 -1.02 0.00 -0.09 -0.04 0.93 -0.22 1muzA12 LEU 437 HD23 0.24 -0.03 -0.31 -0.04 0.89 0.74 1muzA12 VAL 438 H -0.21 0.85 0.39 -0.55 8.24 8.73 1muzA12 VAL 438 HA -0.06 0.09 0.67 -0.75 4.13 4.07 1muzA12 VAL 438 HB -1.27 -0.04 0.26 -0.04 2.12 1.03 1muzA12 VAL 438 HG13 -0.53 0.01 -0.14 -0.04 0.97 0.27 1muzA12 VAL 438 HG23 0.01 -0.02 -0.12 -0.04 0.95 0.78 1muzA12 ILE 439 H -0.08 0.47 0.42 -0.55 8.25 8.51 1muzA12 ILE 439 HA -0.16 0.15 0.83 -0.75 4.18 4.24 1muzA12 ILE 439 HB -0.06 0.13 -0.10 -0.04 1.89 1.82 1muzA12 ILE 439 HG12 -0.03 0.07 -0.30 -0.04 1.49 1.19 1muzA12 ILE 439 HG13 -0.03 0.01 -0.26 -0.04 1.21 0.89 1muzA12 ILE 439 HG23 -0.05 -0.05 -0.36 -0.04 0.93 0.43 1muzA12 ILE 439 HD13 -0.04 0.00 -0.22 -0.04 0.88 0.58 1muzA12 PRO 440 HA -0.41 -0.06 0.56 -0.51 4.44 4.02 1muzA12 PRO 440 HB2 0.01 0.09 0.03 -0.04 2.28 2.38 1muzA12 PRO 440 HB3 -0.11 -0.02 0.06 -0.04 2.02 1.91 1muzA12 PRO 440 HG2 -0.02 0.03 0.13 -0.04 2.03 2.12 1muzA12 PRO 440 HG3 -0.07 0.21 0.12 -0.04 2.03 2.25 1muzA12 PRO 440 HD2 -0.06 0.12 -0.05 -0.04 3.68 3.66 1muzA12 PRO 440 HD3 -0.13 0.29 -0.46 -0.04 3.65 3.31 1muzA12 PHE 441 H -0.73 0.02 0.19 -0.55 8.34 7.27 1muzA12 PHE 441 HA 0.01 0.11 0.28 -0.75 4.62 4.27 1muzA12 PHE 441 HB2 0.01 -0.17 0.15 -0.04 3.15 3.10 1muzA12 PHE 441 HB3 0.02 0.02 0.16 -0.04 3.06 3.21 1muzA12 PHE 441 HD2 0.01 0.02 -0.18 -0.04 7.28 7.09 1muzA12 PHE 441 HE2 -0.00 0.04 -0.05 -0.04 7.38 7.33 1muzA12 PHE 441 HZ -0.00 0.02 -0.03 -0.04 7.32 7.27 1muzA12 GLN 442 H 0.15 0.09 0.14 -0.55 8.47 8.30 1muzA12 GLN 442 HA 0.08 0.22 0.59 -0.75 4.36 4.50 1muzA12 GLN 442 HB2 0.01 0.02 0.07 -0.04 2.15 2.21 1muzA12 GLN 442 HB3 0.04 0.04 0.09 -0.04 2.02 2.15 1muzA12 GLN 442 HG2 -0.01 -0.13 0.13 -0.04 2.40 2.36 1muzA12 GLN 442 HG3 -0.04 -0.01 -0.15 -0.04 2.39 2.14 1muzA12 GLN 442 HE21 0.03 -0.04 0.01 -0.04 6.97 6.93 1muzA12 GLN 442 HE22 0.01 0.05 -0.01 -0.04 7.69 7.70 1muzA12 ASN 443 H -0.23 0.13 0.02 -0.55 8.53 7.90 1muzA12 ASN 443 HA -0.22 0.26 0.51 -0.75 4.76 4.56 1muzA12 ASN 443 HB2 -0.12 -0.00 -0.20 -0.04 2.88 2.51 1muzA12 ASN 443 HB3 -0.19 -0.25 -0.04 -0.04 2.79 2.27 1muzA12 ASN 443 HD21 -0.04 -0.04 0.07 -0.04 7.03 6.98 1muzA12 ASN 443 HD22 -0.05 0.24 -0.03 -0.04 7.74 7.86 1muzA12 PRO 444 HA -1.05 0.10 0.55 -0.51 4.44 3.52 1muzA12 PRO 444 HB2 -0.08 0.07 0.01 -0.04 2.28 2.24 1muzA12 PRO 444 HB3 0.01 0.05 0.08 -0.04 2.02 2.11 1muzA12 PRO 444 HG2 -0.08 0.06 0.04 -0.04 2.03 2.01 1muzA12 PRO 444 HG3 -0.03 0.09 0.05 -0.04 2.03 2.10 1muzA12 PRO 444 HD2 -0.18 0.10 0.21 -0.04 3.68 3.77 1muzA12 PRO 444 HD3 -0.19 0.23 0.14 -0.04 3.65 3.80 1muzA12 GLU 445 H -0.22 0.09 -0.21 -0.55 8.60 7.71 1muzA12 GLU 445 HA -0.09 0.15 0.45 -0.75 4.29 4.05 1muzA12 GLU 445 HB2 -0.07 0.05 0.05 -0.04 2.09 2.08 1muzA12 GLU 445 HB3 -0.08 -0.01 0.07 -0.04 1.99 1.92 1muzA12 GLU 445 HG2 -0.09 0.01 -0.02 -0.04 2.34 2.20 1muzA12 GLU 445 HG3 -0.13 -0.15 -0.10 -0.04 2.34 1.92 1muzA12 GLU 446 H -0.22 0.07 -0.42 -0.55 8.60 7.49 1muzA12 GLU 446 HA -0.07 0.17 0.61 -0.75 4.29 4.24 1muzA12 GLU 446 HB2 -0.11 0.02 0.02 -0.04 2.09 1.98 1muzA12 GLU 446 HB3 -0.05 0.01 0.05 -0.04 1.99 1.96 1muzA12 GLU 446 HG2 -0.09 -0.11 -0.17 -0.04 2.34 1.93 1muzA12 GLU 446 HG3 -0.08 -0.03 -0.04 -0.04 2.34 2.16 1muzA12 GLN 447 H -0.21 0.01 -0.44 -0.55 8.47 7.28 1muzA12 GLN 447 HA 0.08 0.04 0.52 -0.75 4.36 4.25 1muzA12 GLN 447 HB2 -0.04 -0.08 0.14 -0.04 2.15 2.14 1muzA12 GLN 447 HB3 0.10 0.10 0.09 -0.04 2.02 2.26 1muzA12 GLN 447 HG2 0.22 0.11 0.28 -0.04 2.40 2.97 1muzA12 GLN 447 HG3 0.52 -0.21 0.18 -0.04 2.39 2.83 1muzA12 GLN 447 HE21 0.09 0.05 -0.03 -0.04 6.97 7.03 1muzA12 GLN 447 HE22 0.08 -0.17 -0.09 -0.04 7.69 7.47 1muzA12 ASP 448 H 0.10 0.20 0.17 -0.55 8.40 8.32 1muzA12 ASP 448 HA 0.00 0.23 0.93 -0.75 4.63 5.03 1muzA12 ASP 448 HB2 -0.15 0.06 -0.03 -0.04 2.71 2.54 1muzA12 ASP 448 HB3 -0.12 -0.09 -0.01 -0.04 2.70 2.44 1muzA12 GLU 449 H 0.06 0.18 0.13 -0.55 8.60 8.42 1muzA12 GLU 449 HA 0.10 0.03 0.42 -0.75 4.29 4.08 1muzA12 GLU 449 HB2 0.06 0.02 0.18 -0.04 2.09 2.31 1muzA12 GLU 449 HB3 0.08 0.01 0.08 -0.04 1.99 2.13 1muzA12 GLU 449 HG2 0.05 -0.02 0.05 -0.04 2.34 2.38 1muzA12 GLU 449 HG3 0.04 0.03 0.03 -0.04 2.34 2.41 1muzA12 GLY 450 H 0.08 0.17 0.24 -0.55 8.43 8.38 1muzA12 GLY 450 HA2 -0.08 -0.03 0.37 -0.51 4.01 3.76 1muzA12 GLY 450 HA3 -0.01 0.21 0.80 -0.51 4.01 4.49 1muzA12 TRP 451 H 0.36 0.85 -0.00 -0.55 7.97 8.62 1muzA12 TRP 451 HA -0.26 0.09 1.02 -0.75 4.62 4.71 1muzA12 TRP 451 HB2 -0.06 -0.03 -0.06 -0.04 3.23 3.04 1muzA12 TRP 451 HB3 -0.13 -0.04 -0.30 -0.04 3.23 2.71 1muzA12 TRP 451 HD1 -0.07 0.06 -0.72 -0.04 7.22 6.45 1muzA12 TRP 451 HE1 -0.07 0.07 -0.09 -0.04 10.20 10.07 1muzA12 TRP 451 HE3 -0.23 -0.04 -0.19 -0.04 7.59 7.09 1muzA12 TRP 451 HZ2 -0.09 0.01 -0.05 -0.04 7.44 7.27 1muzA12 TRP 451 HZ3 -0.93 0.03 -0.04 -0.04 7.13 6.14 1muzA12 TRP 451 HH2 -0.19 0.01 -0.04 -0.04 7.19 6.93 1muzA12 LEU 452 H -0.36 0.61 0.36 -0.55 8.37 8.44 1muzA12 LEU 452 HA 0.09 0.18 0.96 -0.75 4.35 4.82 1muzA12 LEU 452 HB2 -0.14 0.10 0.03 -0.04 1.64 1.59 1muzA12 LEU 452 HB3 -0.10 0.03 0.04 -0.04 1.64 1.57 1muzA12 LEU 452 HG -0.29 -0.16 -0.13 -0.04 1.64 1.02 1muzA12 LEU 452 HD13 -0.74 0.06 -0.14 -0.04 0.93 0.06 1muzA12 LEU 452 HD23 -0.11 0.01 -0.09 -0.04 0.89 0.66 1muzA12 MET 453 H -0.01 0.13 0.21 -0.55 8.47 8.25 1muzA12 MET 453 HA 0.23 0.27 1.02 -0.75 4.52 5.29 1muzA12 MET 453 HB2 0.22 -0.06 0.10 -0.04 2.15 2.36 1muzA12 MET 453 HB3 0.06 -0.07 0.24 -0.04 2.03 2.23 1muzA12 MET 453 HG2 0.05 0.02 -0.29 -0.04 2.63 2.36 1muzA12 MET 453 HG3 0.10 0.19 -0.10 -0.04 2.56 2.70 1muzA12 MET 453 HE3 0.12 0.04 -0.12 -0.04 2.10 2.10 1muzA12 GLY 454 H 0.33 0.32 0.23 -0.55 8.43 8.76 1muzA12 GLY 454 HA2 0.04 0.15 1.02 -0.51 4.01 4.71 1muzA12 GLY 454 HA3 -0.02 -0.06 0.16 -0.51 4.01 3.58 1muzA12 VAL 455 H -0.11 0.61 0.33 -0.55 8.24 8.52 1muzA12 VAL 455 HA -0.04 0.24 0.93 -0.75 4.13 4.50 1muzA12 VAL 455 HB -0.05 0.05 -0.19 -0.04 2.12 1.89 1muzA12 VAL 455 HG13 -0.18 0.02 -0.04 -0.04 0.97 0.73 1muzA12 VAL 455 HG23 -0.01 0.00 -0.10 -0.04 0.95 0.80 1muzA12 LYS 456 H -0.01 0.20 0.18 -0.55 8.42 8.23 1muzA12 LYS 456 HA -0.01 0.32 0.85 -0.75 4.32 4.73 1muzA12 LYS 456 HB2 0.01 0.09 0.21 -0.04 1.87 2.15 1muzA12 LYS 456 HB3 0.04 -0.23 0.15 -0.04 1.79 1.70 1muzA12 LYS 456 HG2 0.03 -0.10 0.20 -0.04 1.46 1.55 1muzA12 LYS 456 HG3 -0.00 0.18 0.16 -0.04 1.46 1.76 1muzA12 LYS 456 HD2 0.03 0.03 0.12 -0.04 1.69 1.83 1muzA12 LYS 456 HD3 0.00 -0.03 0.05 -0.04 1.68 1.66 1muzA12 LYS 456 HE2 0.03 0.03 0.09 -0.04 2.99 3.10 1muzA12 LYS 456 HE3 0.03 -0.11 0.08 -0.04 2.99 2.95 1muzA12 GLU 457 H 0.08 0.50 0.33 -0.55 8.60 8.95 1muzA12 GLU 457 HA 0.30 0.12 0.38 -0.75 4.29 4.33 1muzA12 GLU 457 HB2 0.13 0.04 0.11 -0.04 2.09 2.32 1muzA12 GLU 457 HB3 0.07 -0.03 0.20 -0.04 1.99 2.19 1muzA12 GLU 457 HG2 0.03 0.00 -0.20 -0.04 2.34 2.14 1muzA12 GLU 457 HG3 0.06 0.00 0.04 -0.04 2.34 2.41 1muzA12 SER 458 H 0.07 0.09 -0.09 -0.55 8.46 7.98 1muzA12 SER 458 HA 0.06 0.14 0.43 -0.75 4.49 4.36 1muzA12 SER 458 HB2 0.04 -0.03 0.13 -0.04 3.95 4.05 1muzA12 SER 458 HB3 0.04 0.06 -0.05 -0.04 3.93 3.94 1muzA12 ASP 459 H 0.08 0.04 -0.31 -0.55 8.40 7.66 1muzA12 ASP 459 HA 0.07 0.08 0.30 -0.75 4.63 4.32 1muzA12 ASP 459 HB2 0.05 0.11 0.10 -0.04 2.71 2.92 1muzA12 ASP 459 HB3 0.04 0.04 -0.10 -0.04 2.70 2.64 1muzA12 TRP 460 H 0.25 0.31 -0.52 -0.55 7.97 7.46 1muzA12 TRP 460 HA -0.01 0.02 0.27 -0.75 4.62 4.14 1muzA12 TRP 460 HB2 -0.04 -0.03 0.10 -0.04 3.23 3.22 1muzA12 TRP 460 HB3 -0.03 0.16 0.12 -0.04 3.23 3.44 1muzA12 TRP 460 HD1 -0.05 -0.05 -0.01 -0.04 7.22 7.06 1muzA12 TRP 460 HE1 -0.16 0.18 0.06 -0.04 10.20 10.24 1muzA12 TRP 460 HE3 -0.08 -0.04 -0.03 -0.04 7.59 7.40 1muzA12 TRP 460 HZ2 -0.30 -0.00 -0.03 -0.04 7.44 7.07 1muzA12 TRP 460 HZ3 -0.14 -0.04 -0.05 -0.04 7.13 6.86 1muzA12 TRP 460 HH2 -0.39 -0.00 -0.05 -0.04 7.19 6.71 1muzA12 ASN 461 H 0.18 0.33 -0.25 -0.55 8.53 8.24 1muzA12 ASN 461 HA 0.09 -0.04 0.42 -0.75 4.76 4.48 1muzA12 ASN 461 HB2 0.05 0.16 0.10 -0.04 2.88 3.14 1muzA12 ASN 461 HB3 0.03 0.07 0.09 -0.04 2.79 2.94 1muzA12 ASN 461 HD21 0.05 0.07 0.24 -0.04 7.03 7.36 1muzA12 ASN 461 HD22 -0.02 -0.05 0.03 -0.04 7.74 7.66 1muzA12 GLN 462 H 0.12 0.23 -0.60 -0.55 8.47 7.68 1muzA12 GLN 462 HA 0.05 0.11 0.58 -0.75 4.36 4.34 1muzA12 GLN 462 HB2 0.06 0.06 0.08 -0.04 2.15 2.31 1muzA12 GLN 462 HB3 0.03 -0.08 0.09 -0.04 2.02 2.03 1muzA12 GLN 462 HG2 0.05 0.20 -0.09 -0.04 2.40 2.52 1muzA12 GLN 462 HG3 0.03 -0.04 -0.06 -0.04 2.39 2.28 1muzA12 GLN 462 HE21 0.04 0.11 -0.12 -0.04 6.97 6.96 1muzA12 GLN 462 HE22 0.03 0.05 -0.16 -0.04 7.69 7.57 1muzA12 HIS 463 H 0.23 0.40 -0.87 -0.55 8.41 7.62 1muzA12 HIS 463 HA 0.04 -0.04 0.27 -0.75 4.63 4.15 1muzA12 HIS 463 HB2 0.12 0.05 0.08 -0.04 3.26 3.47 1muzA12 HIS 463 HB3 0.13 0.09 0.05 -0.04 3.20 3.42 1muzA12 HIS 463 HD2 0.06 -0.03 -0.07 -0.04 6.97 6.88 1muzA12 HIS 463 HE1 0.02 -0.02 -0.04 -0.04 7.75 7.68 1muzA12 LYS 464 H -0.04 0.14 -0.85 -0.55 8.42 7.12 1muzA12 LYS 464 HA -0.31 0.03 0.35 -0.75 4.32 3.64 1muzA12 LYS 464 HB2 -0.05 0.06 0.04 -0.04 1.87 1.88 1muzA12 LYS 464 HB3 -0.05 0.01 -0.06 -0.04 1.79 1.65 1muzA12 LYS 464 HG2 -0.08 -0.02 0.07 -0.04 1.46 1.39 1muzA12 LYS 464 HG3 -0.10 -0.01 0.03 -0.04 1.46 1.34 1muzA12 LYS 464 HD2 -0.02 0.06 0.01 -0.04 1.69 1.70 1muzA12 LYS 464 HD3 -0.02 -0.02 -0.00 -0.04 1.68 1.60 1muzA12 LYS 464 HE2 -0.01 -0.02 0.01 -0.04 2.99 2.93 1muzA12 LYS 464 HE3 -0.03 -0.02 0.02 -0.04 2.99 2.92 1muzA12 LYS 465 H -0.03 1.12 -0.21 -0.55 8.42 8.75 1muzA12 LYS 465 HA -0.03 0.13 0.77 -0.75 4.32 4.44 1muzA12 LYS 465 HB2 -0.01 0.01 -0.06 -0.04 1.87 1.76 1muzA12 LYS 465 HB3 -0.00 -0.04 0.14 -0.04 1.79 1.85 1muzA12 LYS 465 HG2 -0.01 -0.06 0.05 -0.04 1.46 1.41 1muzA12 LYS 465 HG3 -0.02 0.18 0.03 -0.04 1.46 1.60 1muzA12 LYS 465 HD2 -0.01 0.01 -0.05 -0.04 1.69 1.60 1muzA12 LYS 465 HD3 -0.01 -0.00 -0.04 -0.04 1.68 1.59 1muzA12 LYS 465 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.95 1muzA12 LYS 465 HE3 -0.01 -0.00 -0.00 -0.04 2.99 2.94 1muzA12 LEU 466 H -0.00 0.52 -0.15 -0.55 8.37 8.19 1muzA12 LEU 466 HA 0.04 0.09 0.32 -0.75 4.35 4.05 1muzA12 LEU 466 HB2 0.05 -0.00 -0.02 -0.04 1.64 1.63 1muzA12 LEU 466 HB3 0.14 0.14 0.14 -0.04 1.64 2.02 1muzA12 LEU 466 HG 0.05 -0.04 -0.23 -0.04 1.64 1.39 1muzA12 LEU 466 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.74 1muzA12 LEU 466 HD23 0.18 0.03 0.01 -0.04 0.89 1.06 1muzA12 GLU 467 H 0.01 0.17 -0.24 -0.55 8.60 8.00 1muzA12 GLU 467 HA 0.02 0.10 0.38 -0.75 4.29 4.04 1muzA12 GLU 467 HB2 0.01 0.02 -0.00 -0.04 2.09 2.07 1muzA12 GLU 467 HB3 0.01 0.03 0.06 -0.04 1.99 2.05 1muzA12 GLU 467 HG2 0.02 0.03 0.01 -0.04 2.34 2.36 1muzA12 GLU 467 HG3 0.03 -0.03 0.02 -0.04 2.34 2.31 1muzA12 LYS 468 H 0.01 0.35 -0.69 -0.55 8.42 7.53 1muzA12 LYS 468 HA 0.01 0.21 0.88 -0.75 4.32 4.66 1muzA12 LYS 468 HB2 0.01 0.07 0.06 -0.04 1.87 1.97 1muzA12 LYS 468 HB3 0.01 -0.01 0.15 -0.04 1.79 1.90 1muzA12 LYS 468 HG2 0.01 -0.04 -0.48 -0.04 1.46 0.91 1muzA12 LYS 468 HG3 0.00 -0.02 -0.06 -0.04 1.46 1.34 1muzA12 LYS 468 HD2 0.00 -0.03 -0.03 -0.04 1.69 1.60 1muzA12 LYS 468 HD3 0.00 -0.00 0.02 -0.04 1.68 1.65 1muzA12 LYS 468 HE2 0.01 0.06 0.05 -0.04 2.99 3.07 1muzA12 LYS 468 HE3 0.01 0.02 -0.04 -0.04 2.99 2.94 1muzA12 CYS 469 H 0.02 0.26 -0.28 -0.55 8.50 7.94 1muzA12 CYS 469 HA 0.02 0.18 0.93 -0.75 4.58 4.95 1muzA12 CYS 469 HB2 0.03 0.07 0.03 -0.04 2.97 3.05 1muzA12 CYS 469 HB3 0.03 -0.11 0.00 -0.04 2.97 2.84 1muzA12 ARG 470 H 0.03 0.07 -0.11 -0.55 8.46 7.90 1muzA12 ARG 470 HA 0.03 0.01 0.33 -0.75 4.34 3.95 1muzA12 ARG 470 HB2 0.04 0.03 -0.04 -0.04 1.90 1.88 1muzA12 ARG 470 HB3 0.05 -0.06 -0.01 -0.04 1.80 1.74 1muzA12 ARG 470 HG2 0.02 0.07 0.01 -0.04 1.67 1.74 1muzA12 ARG 470 HG3 0.03 -0.03 0.10 -0.04 1.67 1.73 1muzA12 ARG 470 HD2 0.05 -0.04 -0.08 -0.04 3.22 3.11 1muzA12 ARG 470 HD3 0.02 -0.00 -0.12 -0.04 3.22 3.08 1muzA12 GLY 471 H 0.08 0.27 0.19 -0.55 8.43 8.42 1muzA12 GLY 471 HA2 0.09 0.18 0.11 -0.51 4.01 3.88 1muzA12 GLY 471 HA3 0.09 0.09 -0.15 -0.51 4.01 3.53 1muzA12 VAL 472 H 0.18 0.05 0.21 -0.55 8.24 8.13 1muzA12 VAL 472 HA 0.31 0.28 1.09 -0.75 4.13 5.06 1muzA12 VAL 472 HB 0.14 0.00 0.06 -0.04 2.12 2.29 1muzA12 VAL 472 HG13 0.22 -0.02 -0.22 -0.04 0.97 0.91 1muzA12 VAL 472 HG23 0.15 0.02 -0.21 -0.04 0.95 0.87 1muzA12 PHE 473 H 0.27 0.66 0.35 -0.55 8.34 9.08 1muzA12 PHE 473 HA 0.24 0.15 0.63 -0.75 4.62 4.89 1muzA12 PHE 473 HB2 0.10 0.05 -0.03 -0.04 3.15 3.23 1muzA12 PHE 473 HB3 0.17 0.07 -0.38 -0.04 3.06 2.89 1muzA12 PHE 473 HD2 0.14 0.05 -0.21 -0.04 7.28 7.23 1muzA12 PHE 473 HE2 0.04 0.02 -0.39 -0.04 7.38 7.02 1muzA12 PHE 473 HZ 0.01 0.01 -0.27 -0.04 7.32 7.03 1muzA12 PRO 474 HA -0.84 0.28 0.86 -0.51 4.44 4.22 1muzA12 PRO 474 HB2 -0.90 -0.08 0.03 -0.04 2.28 1.29 1muzA12 PRO 474 HB3 -2.87 0.08 0.04 -0.04 2.02 -0.77 1muzA12 PRO 474 HG2 -1.23 0.01 0.08 -0.04 2.03 0.85 1muzA12 PRO 474 HG3 -2.03 0.07 0.04 -0.04 2.03 0.07 1muzA12 PRO 474 HD2 -0.56 0.12 0.16 -0.04 3.68 3.36 1muzA12 PRO 474 HD3 -0.52 0.17 0.18 -0.04 3.65 3.43 1muzA12 GLU 475 H -0.47 0.39 0.34 -0.55 8.60 8.32 1muzA12 GLU 475 HA -0.16 0.09 0.35 -0.75 4.29 3.81 1muzA12 GLU 475 HB2 -0.30 0.01 0.01 -0.04 2.09 1.77 1muzA12 GLU 475 HB3 -0.21 0.00 0.05 -0.04 1.99 1.80 1muzA12 GLU 475 HG2 -0.05 0.01 -0.21 -0.04 2.34 2.05 1muzA12 GLU 475 HG3 -0.00 0.02 -0.12 -0.04 2.34 2.19 1muzA12 ASN 476 H -0.27 0.23 -0.02 -0.55 8.53 7.92 1muzA12 ASN 476 HA -0.08 0.12 0.39 -0.75 4.76 4.43 1muzA12 ASN 476 HB2 -0.12 0.03 0.09 -0.04 2.88 2.84 1muzA12 ASN 476 HB3 -0.13 -0.02 0.12 -0.04 2.79 2.71 1muzA12 ASN 476 HD21 -0.68 0.02 0.06 -0.04 7.03 6.38 1muzA12 ASN 476 HD22 -0.30 -0.06 0.18 -0.04 7.74 7.52 1muzA12 PHE 477 H -0.03 0.18 -0.96 -0.55 8.34 6.97 1muzA12 PHE 477 HA -0.10 0.17 0.74 -0.75 4.62 4.67 1muzA12 PHE 477 HB2 -0.28 -0.03 0.00 -0.04 3.15 2.80 1muzA12 PHE 477 HB3 -0.38 0.07 0.04 -0.04 3.06 2.75 1muzA12 PHE 477 HD2 0.03 0.18 -0.16 -0.04 7.28 7.28 1muzA12 PHE 477 HE2 0.21 -0.11 -0.45 -0.04 7.38 7.00 1muzA12 PHE 477 HZ 0.20 0.02 -0.16 -0.04 7.32 7.34 1muzA12 THR 478 H 0.02 0.58 -0.25 -0.55 8.28 8.08 1muzA12 THR 478 HA -0.21 -0.07 0.92 -0.75 4.39 4.28 1muzA12 THR 478 HB 0.20 -0.03 -0.10 -0.04 4.32 4.35 1muzA12 THR 478 HG23 0.30 0.01 -0.23 -0.04 1.22 1.26 1muzA12 GLU 479 H 0.03 0.48 0.19 -0.55 8.60 8.74 1muzA12 GLU 479 HA 0.01 0.20 0.99 -0.75 4.29 4.74 1muzA12 GLU 479 HB2 -0.03 0.00 -0.06 -0.04 2.09 1.95 1muzA12 GLU 479 HB3 -0.01 -0.02 -0.01 -0.04 1.99 1.91 1muzA12 GLU 479 HG2 -0.02 0.01 0.10 -0.04 2.34 2.39 1muzA12 GLU 479 HG3 -0.02 0.04 0.09 -0.04 2.34 2.40 1muzA12 ARG 480 H -0.01 0.16 0.16 -0.55 8.46 8.22 1muzA12 ARG 480 HA 0.10 0.08 0.72 -0.75 4.34 4.49 1muzA12 ARG 480 HB2 -0.13 -0.01 0.10 -0.04 1.90 1.82 1muzA12 ARG 480 HB3 -0.37 0.06 -0.05 -0.04 1.80 1.40 1muzA12 ARG 480 HG2 0.10 -0.02 -0.12 -0.04 1.67 1.59 1muzA12 ARG 480 HG3 -0.05 0.01 0.01 -0.04 1.67 1.60 1muzA12 ARG 480 HD2 -0.80 0.03 -0.06 -0.04 3.22 2.35 1muzA12 ARG 480 HD3 0.03 -0.01 -0.08 -0.04 3.22 3.12 1muzA12 VAL 481 H 0.11 0.60 0.48 -0.55 8.24 8.87 1muzA12 VAL 481 HA 0.01 0.16 0.94 -0.75 4.13 4.49 1muzA12 VAL 481 HB 0.12 0.05 -0.19 -0.04 2.12 2.06 1muzA12 VAL 481 HG13 0.06 -0.01 -0.12 -0.04 0.97 0.86 1muzA12 VAL 481 HG23 0.05 -0.02 -0.34 -0.04 0.95 0.59 1muzA12 PRO 482 HA -0.02 0.15 0.36 -0.51 4.44 4.41 1muzA12 PRO 482 HB2 -0.01 0.02 0.07 -0.04 2.28 2.32 1muzA12 PRO 482 HB3 -0.05 0.03 0.03 -0.04 2.02 1.98 1muzA12 PRO 482 HG2 -0.01 0.02 0.06 -0.04 2.03 2.06 1muzA12 PRO 482 HG3 -0.04 0.04 0.04 -0.04 2.03 2.03 1muzA12 PRO 482 HD2 -0.00 0.08 0.17 -0.04 3.68 3.89 1muzA12 PRO 482 HD3 -0.03 0.32 0.17 -0.04 3.65 4.06