============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 6 0.900 47.236 48.601 61.689 -99.200 -91.000 PHE 9 1.000 44.269 41.128 75.633 -99.200 -91.000 TYR 11 0.840 41.050 37.698 77.495 -99.200 -91.000 PHE 23 1.000 37.110 49.320 67.386 -99.200 -91.000 PHE 33 1.000 32.779 46.780 67.432 -99.200 -91.000 PHE 45 1.000 31.709 46.828 73.519 -99.200 -91.000 PHE 51 1.000 36.849 45.619 82.907 -99.200 -91.000 TYR 52 0.840 41.829 41.689 80.736 -99.200 -91.000 TRP 74 1.040 39.111 55.202 79.514 -99.200 -91.000 TRP6 74 1.020 38.544 56.476 77.598 -99.200 -91.000 PHE 80 1.000 29.164 46.453 79.623 -99.200 -91.000 TYR 98 0.840 27.557 52.315 94.850 -99.200 -91.000 TYR 104 0.840 26.773 65.484 94.921 -99.200 -91.000 TRP 110 1.040 11.512 63.051 91.202 -99.200 -91.000 TRP6 110 1.020 10.253 61.043 90.895 -99.200 -91.000 PHE 117 1.000 10.897 57.447 77.666 -99.200 -91.000 PHE 121 1.000 10.007 51.955 86.642 -99.200 -91.000 PHE 154 1.000 19.169 58.965 79.446 -99.200 -91.000 HIS 196 0.900 24.912 38.816 70.540 -99.200 -91.000 TYR 208 0.840 34.077 48.672 62.254 -99.200 -91.000 PHE 209 1.000 30.667 38.345 60.129 -99.200 -91.000 HIS 221 0.900 22.395 43.645 57.394 -99.200 -91.000 HIS 228 0.900 32.510 40.802 53.322 -99.200 -91.000 TYR 231 0.840 27.178 40.772 57.658 -99.200 -91.000 TYR 234 0.840 26.618 36.276 62.673 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mv5A1 MET 342 HA 0.06 0.05 0.23 -0.75 4.52 4.11 1mv5A1 MET 342 HB2 0.07 -0.01 -0.24 -0.04 2.15 1.93 1mv5A1 MET 342 HB3 0.05 -0.01 -0.05 -0.04 2.03 1.98 1mv5A1 MET 342 HG2 0.04 -0.07 -0.25 -0.04 2.63 2.30 1mv5A1 MET 342 HG3 0.05 -0.00 -0.82 -0.04 2.56 1.74 1mv5A1 MET 342 HE3 0.02 -0.00 -0.10 -0.04 2.10 1.97 1mv5A1 LEU 343 H 0.10 0.58 0.14 -0.55 8.37 8.64 1mv5A1 LEU 343 HA 0.10 0.22 1.03 -0.75 4.35 4.94 1mv5A1 LEU 343 HB2 0.15 -0.01 0.07 -0.04 1.64 1.81 1mv5A1 LEU 343 HB3 0.18 -0.00 0.26 -0.04 1.64 2.03 1mv5A1 LEU 343 HG 0.24 -0.02 -0.03 -0.04 1.64 1.79 1mv5A1 LEU 343 HD13 0.28 -0.02 -0.18 -0.04 0.93 0.97 1mv5A1 LEU 343 HD23 0.20 0.04 -0.03 -0.04 0.89 1.07 1mv5A1 SER 344 H 0.01 0.41 0.18 -0.55 8.46 8.51 1mv5A1 SER 344 HA -0.04 0.23 1.09 -0.75 4.49 5.02 1mv5A1 SER 344 HB2 -0.07 -0.02 -0.05 -0.04 3.95 3.77 1mv5A1 SER 344 HB3 -0.01 -0.01 -0.04 -0.04 3.93 3.83 1mv5A1 ALA 345 H -0.36 0.77 0.25 -0.55 8.40 8.51 1mv5A1 ALA 345 HA -0.28 0.13 0.93 -0.75 4.34 4.37 1mv5A1 ALA 345 HB3 -1.10 -0.02 0.01 -0.04 1.41 0.26 1mv5A1 ARG 346 H -0.14 0.31 0.03 -0.55 8.46 8.11 1mv5A1 ARG 346 HA -0.22 0.08 1.14 -0.75 4.34 4.58 1mv5A1 ARG 346 HB2 -0.02 -0.02 0.08 -0.04 1.90 1.90 1mv5A1 ARG 346 HB3 0.01 0.00 -0.00 -0.04 1.80 1.77 1mv5A1 ARG 346 HG2 -0.08 -0.07 -0.23 -0.04 1.67 1.25 1mv5A1 ARG 346 HG3 -0.02 0.01 -0.07 -0.04 1.67 1.55 1mv5A1 ARG 346 HD2 -0.11 0.04 -0.04 -0.04 3.22 3.07 1mv5A1 ARG 346 HD3 -0.04 0.01 -0.08 -0.04 3.22 3.07 1mv5A1 HIS 347 H -0.36 0.13 0.00 -0.55 8.41 7.65 1mv5A1 HIS 347 HA -0.02 -0.02 0.05 -0.75 4.63 3.88 1mv5A1 HIS 347 HB2 -0.03 0.06 -0.12 -0.04 3.26 3.14 1mv5A1 HIS 347 HB3 -0.02 -0.03 0.11 -0.04 3.20 3.22 1mv5A1 HIS 347 HD2 -0.02 -0.01 -0.16 -0.04 6.97 6.74 1mv5A1 HIS 347 HE1 0.00 0.02 -0.04 -0.04 7.75 7.69 1mv5A1 VAL 348 H -0.06 0.68 0.04 -0.55 8.24 8.35 1mv5A1 VAL 348 HA 0.01 0.48 0.60 -0.75 4.13 4.47 1mv5A1 VAL 348 HB -0.03 -0.11 -0.01 -0.04 2.12 1.93 1mv5A1 VAL 348 HG13 -0.00 -0.02 -0.22 -0.04 0.97 0.68 1mv5A1 VAL 348 HG23 -0.10 0.06 -0.23 -0.04 0.95 0.64 1mv5A1 ASP 349 H 0.04 0.71 0.45 -0.55 8.40 9.05 1mv5A1 ASP 349 HA 0.05 0.19 0.83 -0.75 4.63 4.94 1mv5A1 ASP 349 HB2 0.03 0.05 0.19 -0.04 2.71 2.94 1mv5A1 ASP 349 HB3 0.02 -0.03 0.01 -0.04 2.70 2.66 1mv5A1 PHE 350 H 0.06 0.72 0.35 -0.55 8.34 8.92 1mv5A1 PHE 350 HA -0.08 0.05 0.63 -0.75 4.62 4.47 1mv5A1 PHE 350 HB2 -0.09 0.13 -0.25 -0.04 3.15 2.90 1mv5A1 PHE 350 HB3 -0.14 -0.08 -0.11 -0.04 3.06 2.69 1mv5A1 PHE 350 HD2 -0.29 -0.02 0.01 -0.04 7.28 6.94 1mv5A1 PHE 350 HE2 -1.08 -0.01 -0.06 -0.04 7.38 6.18 1mv5A1 PHE 350 HZ -0.73 0.00 -0.07 -0.04 7.32 6.48 1mv5A1 ALA 351 H -1.15 0.44 0.16 -0.55 8.40 7.30 1mv5A1 ALA 351 HA -0.37 -0.11 0.69 -0.75 4.34 3.80 1mv5A1 ALA 351 HB3 -0.22 0.07 0.05 -0.04 1.41 1.27 1mv5A1 TYR 352 H -0.22 0.08 0.09 -0.55 8.29 7.69 1mv5A1 TYR 352 HA -0.46 0.13 0.54 -0.75 4.56 4.02 1mv5A1 TYR 352 HB2 -0.15 -0.09 0.11 -0.04 3.06 2.89 1mv5A1 TYR 352 HB3 -0.13 0.05 -0.03 -0.04 2.98 2.83 1mv5A1 TYR 352 HD2 -0.22 0.02 -0.02 -0.04 7.15 6.89 1mv5A1 TYR 352 HE2 -0.18 0.00 -0.09 -0.04 6.85 6.54 1mv5A1 ASP 353 H -0.05 -0.03 -0.08 -0.55 8.40 7.69 1mv5A1 ASP 353 HA -0.04 0.30 0.78 -0.75 4.63 4.92 1mv5A1 ASP 353 HB2 -0.02 -0.08 0.20 -0.04 2.71 2.77 1mv5A1 ASP 353 HB3 -0.01 0.12 -0.03 -0.04 2.70 2.74 1mv5A1 ASP 354 H -0.03 -0.03 0.17 -0.55 8.40 7.96 1mv5A1 ASP 354 HA -0.05 0.28 0.84 -0.75 4.63 4.95 1mv5A1 ASP 354 HB2 -0.02 -0.06 0.06 -0.04 2.71 2.64 1mv5A1 ASP 354 HB3 -0.02 0.05 -0.01 -0.04 2.70 2.67 1mv5A1 SER 355 H -0.03 -0.12 0.13 -0.55 8.46 7.90 1mv5A1 SER 355 HA -0.02 0.07 0.38 -0.75 4.49 4.17 1mv5A1 SER 355 HB2 -0.02 -0.02 0.14 -0.04 3.95 4.01 1mv5A1 SER 355 HB3 -0.02 -0.12 0.14 -0.04 3.93 3.89 1mv5A1 GLU 356 H -0.02 0.03 -0.02 -0.55 8.60 8.04 1mv5A1 GLU 356 HA -0.02 0.24 0.70 -0.75 4.29 4.46 1mv5A1 GLU 356 HB2 -0.01 0.06 0.11 -0.04 2.09 2.20 1mv5A1 GLU 356 HB3 -0.01 -0.01 -0.16 -0.04 1.99 1.76 1mv5A1 GLU 356 HG2 -0.01 -0.16 -0.11 -0.04 2.34 2.02 1mv5A1 GLU 356 HG3 -0.00 0.15 -0.36 -0.04 2.34 2.09 1mv5A1 GLN 357 H -0.02 0.21 0.11 -0.55 8.47 8.23 1mv5A1 GLN 357 HA -0.07 0.07 0.77 -0.75 4.36 4.37 1mv5A1 GLN 357 HB2 -0.03 0.00 0.03 -0.04 2.15 2.12 1mv5A1 GLN 357 HB3 -0.02 0.02 0.06 -0.04 2.02 2.05 1mv5A1 GLN 357 HG2 -0.01 -0.01 -0.12 -0.04 2.40 2.21 1mv5A1 GLN 357 HG3 -0.03 0.08 -0.17 -0.04 2.39 2.23 1mv5A1 GLN 357 HE21 -0.03 -0.03 -0.06 -0.04 6.97 6.81 1mv5A1 GLN 357 HE22 -0.01 0.10 0.09 -0.04 7.69 7.83 1mv5A1 ILE 358 H -0.08 0.34 0.43 -0.55 8.25 8.38 1mv5A1 ILE 358 HA 0.02 0.15 0.55 -0.75 4.18 4.15 1mv5A1 ILE 358 HB -0.01 -0.00 -0.11 -0.04 1.89 1.72 1mv5A1 ILE 358 HG12 -0.02 -0.03 -0.00 -0.04 1.49 1.40 1mv5A1 ILE 358 HG13 0.36 -0.08 -0.04 -0.04 1.21 1.41 1mv5A1 ILE 358 HG23 0.15 -0.00 -0.17 -0.04 0.93 0.87 1mv5A1 ILE 358 HD13 0.07 0.02 -0.24 -0.04 0.88 0.69 1mv5A1 LEU 359 H 0.02 0.60 0.28 -0.55 8.37 8.72 1mv5A1 LEU 359 HA 0.02 0.25 0.90 -0.75 4.35 4.77 1mv5A1 LEU 359 HB2 0.11 -0.15 -0.01 -0.04 1.64 1.55 1mv5A1 LEU 359 HB3 0.05 0.12 -0.16 -0.04 1.64 1.61 1mv5A1 LEU 359 HG 0.08 -0.13 -0.33 -0.04 1.64 1.22 1mv5A1 LEU 359 HD13 0.01 -0.00 -0.29 -0.04 0.93 0.61 1mv5A1 LEU 359 HD23 0.01 0.09 -0.09 -0.04 0.89 0.86 1mv5A1 ARG 360 H 0.02 0.72 0.21 -0.55 8.46 8.85 1mv5A1 ARG 360 HA 0.02 0.03 1.05 -0.75 4.34 4.69 1mv5A1 ARG 360 HB2 0.01 0.16 0.15 -0.04 1.90 2.18 1mv5A1 ARG 360 HB3 0.02 -0.04 -0.01 -0.04 1.80 1.73 1mv5A1 ARG 360 HG2 0.00 -0.05 -0.07 -0.04 1.67 1.51 1mv5A1 ARG 360 HG3 0.00 -0.07 -0.49 -0.04 1.67 1.07 1mv5A1 ARG 360 HD2 -0.00 0.06 -0.16 -0.04 3.22 3.07 1mv5A1 ARG 360 HD3 0.00 0.13 -0.05 -0.04 3.22 3.26 1mv5A1 ASP 361 H 0.04 0.09 -0.01 -0.55 8.40 7.98 1mv5A1 ASP 361 HA 0.08 0.03 0.01 -0.75 4.63 3.99 1mv5A1 ASP 361 HB2 0.07 -0.03 -0.06 -0.04 2.71 2.65 1mv5A1 ASP 361 HB3 0.06 0.08 -0.05 -0.04 2.70 2.75 1mv5A1 ILE 362 H 0.01 0.40 -0.04 -0.55 8.25 8.08 1mv5A1 ILE 362 HA 0.01 0.15 0.93 -0.75 4.18 4.52 1mv5A1 ILE 362 HB 0.03 0.06 -0.06 -0.04 1.89 1.88 1mv5A1 ILE 362 HG12 0.05 -0.02 -0.08 -0.04 1.49 1.39 1mv5A1 ILE 362 HG13 0.03 0.15 -0.50 -0.04 1.21 0.85 1mv5A1 ILE 362 HG23 0.14 -0.02 -0.26 -0.04 0.93 0.75 1mv5A1 ILE 362 HD13 0.04 -0.03 -0.27 -0.04 0.88 0.59 1mv5A1 SER 363 H -0.01 0.29 0.19 -0.55 8.46 8.38 1mv5A1 SER 363 HA -0.24 0.44 1.03 -0.75 4.49 4.97 1mv5A1 SER 363 HB2 -0.13 0.03 0.14 -0.04 3.95 3.95 1mv5A1 SER 363 HB3 -0.17 0.06 0.13 -0.04 3.93 3.90 1mv5A1 PHE 364 H -0.42 0.67 0.39 -0.55 8.34 8.42 1mv5A1 PHE 364 HA -0.13 0.10 0.41 -0.75 4.62 4.25 1mv5A1 PHE 364 HB2 -1.14 0.02 0.14 -0.04 3.15 2.14 1mv5A1 PHE 364 HB3 -0.68 0.09 -0.06 -0.04 3.06 2.36 1mv5A1 PHE 364 HD2 -0.06 0.02 -0.42 -0.04 7.28 6.78 1mv5A1 PHE 364 HE2 0.04 0.01 -0.22 -0.04 7.38 7.17 1mv5A1 PHE 364 HZ 0.02 0.01 -0.18 -0.04 7.32 7.12 1mv5A1 GLU 365 H 0.26 0.31 0.21 -0.55 8.60 8.84 1mv5A1 GLU 365 HA 0.14 0.27 0.92 -0.75 4.29 4.87 1mv5A1 GLU 365 HB2 0.15 -0.02 -0.04 -0.04 2.09 2.15 1mv5A1 GLU 365 HB3 0.11 0.01 -0.10 -0.04 1.99 1.96 1mv5A1 GLU 365 HG2 0.03 0.01 -0.05 -0.04 2.34 2.29 1mv5A1 GLU 365 HG3 0.05 -0.06 -0.39 -0.04 2.34 1.89 1mv5A1 ALA 366 H 0.16 0.43 0.11 -0.55 8.40 8.55 1mv5A1 ALA 366 HA 0.14 0.04 0.65 -0.75 4.34 4.41 1mv5A1 ALA 366 HB3 0.18 0.04 -0.06 -0.04 1.41 1.52 1mv5A1 GLN 367 H 0.08 0.12 0.09 -0.55 8.47 8.21 1mv5A1 GLN 367 HA 0.07 0.13 0.80 -0.75 4.36 4.60 1mv5A1 GLN 367 HB2 0.04 0.15 0.14 -0.04 2.15 2.44 1mv5A1 GLN 367 HB3 0.05 -0.02 0.06 -0.04 2.02 2.07 1mv5A1 GLN 367 HG2 0.07 -0.11 -0.03 -0.04 2.40 2.28 1mv5A1 GLN 367 HG3 0.05 0.04 0.05 -0.04 2.39 2.49 1mv5A1 GLN 367 HE21 0.03 -0.02 -0.02 -0.04 6.97 6.93 1mv5A1 GLN 367 HE22 0.05 -0.05 -0.06 -0.04 7.69 7.59 1mv5A1 PRO 368 HA 0.03 0.19 0.56 -0.51 4.44 4.72 1mv5A1 PRO 368 HB2 0.03 -0.04 0.05 -0.04 2.28 2.28 1mv5A1 PRO 368 HB3 0.03 0.10 0.13 -0.04 2.02 2.23 1mv5A1 PRO 368 HG2 0.03 0.01 0.11 -0.04 2.03 2.14 1mv5A1 PRO 368 HG3 0.04 0.09 0.09 -0.04 2.03 2.20 1mv5A1 PRO 368 HD2 0.04 0.06 0.24 -0.04 3.68 3.99 1mv5A1 PRO 368 HD3 0.05 0.13 0.10 -0.04 3.65 3.89 1mv5A1 ASN 369 H 0.02 0.40 0.23 -0.55 8.53 8.64 1mv5A1 ASN 369 HA 0.02 0.17 0.37 -0.75 4.76 4.56 1mv5A1 ASN 369 HB2 0.02 -0.03 -0.03 -0.04 2.88 2.80 1mv5A1 ASN 369 HB3 0.02 -0.05 0.22 -0.04 2.79 2.93 1mv5A1 ASN 369 HD21 0.02 -0.01 0.01 -0.04 7.03 7.01 1mv5A1 ASN 369 HD22 0.02 -0.05 -0.08 -0.04 7.74 7.59 1mv5A1 SER 370 H 0.02 0.30 -0.08 -0.55 8.46 8.16 1mv5A1 SER 370 HA 0.02 0.08 0.77 -0.75 4.49 4.60 1mv5A1 SER 370 HB2 0.03 -0.13 0.10 -0.04 3.95 3.90 1mv5A1 SER 370 HB3 0.03 0.12 -0.17 -0.04 3.93 3.88 1mv5A1 ILE 371 H 0.02 0.16 0.21 -0.55 8.25 8.08 1mv5A1 ILE 371 HA 0.03 0.24 0.86 -0.75 4.18 4.55 1mv5A1 ILE 371 HB 0.01 -0.11 0.12 -0.04 1.89 1.86 1mv5A1 ILE 371 HG12 0.00 -0.01 -0.11 -0.04 1.49 1.33 1mv5A1 ILE 371 HG13 0.01 0.07 -0.52 -0.04 1.21 0.73 1mv5A1 ILE 371 HG23 0.02 -0.03 -0.24 -0.04 0.93 0.64 1mv5A1 ILE 371 HD13 0.00 0.00 -0.13 -0.04 0.88 0.72 1mv5A1 ILE 372 H 0.07 0.56 0.10 -0.55 8.25 8.43 1mv5A1 ILE 372 HA -0.01 0.21 1.22 -0.75 4.18 4.85 1mv5A1 ILE 372 HB 0.02 0.08 0.08 -0.04 1.89 2.03 1mv5A1 ILE 372 HG12 0.13 0.13 0.13 -0.04 1.49 1.83 1mv5A1 ILE 372 HG13 0.15 -0.16 0.23 -0.04 1.21 1.39 1mv5A1 ILE 372 HG23 0.08 0.02 -0.12 -0.04 0.93 0.88 1mv5A1 ILE 372 HD13 -0.04 0.05 -0.09 -0.04 0.88 0.76 1mv5A1 ALA 373 H -0.04 0.25 0.20 -0.55 8.40 8.26 1mv5A1 ALA 373 HA 0.09 0.24 0.87 -0.75 4.34 4.79 1mv5A1 ALA 373 HB3 0.00 -0.03 0.04 -0.04 1.41 1.38 1mv5A1 PHE 374 H 0.14 0.36 0.42 -0.55 8.34 8.71 1mv5A1 PHE 374 HA -0.07 0.26 0.89 -0.75 4.62 4.95 1mv5A1 PHE 374 HB2 -0.24 -0.07 0.15 -0.04 3.15 2.94 1mv5A1 PHE 374 HB3 -0.24 -0.03 0.02 -0.04 3.06 2.77 1mv5A1 PHE 374 HD2 -0.21 -0.01 -0.14 -0.04 7.28 6.89 1mv5A1 PHE 374 HE2 -0.61 0.02 -0.11 -0.04 7.38 6.63 1mv5A1 PHE 374 HZ -1.81 0.02 -0.15 -0.04 7.32 5.34 1mv5A1 ALA 375 H -0.04 0.48 0.31 -0.55 8.40 8.61 1mv5A1 ALA 375 HA -0.05 0.27 1.04 -0.75 4.34 4.85 1mv5A1 ALA 375 HB3 0.18 -0.02 -0.04 -0.04 1.41 1.48 1mv5A1 GLY 376 H -0.12 0.27 0.20 -0.55 8.43 8.24 1mv5A1 GLY 376 HA2 -1.01 -0.03 0.34 -0.51 4.01 2.80 1mv5A1 GLY 376 HA3 -0.55 0.34 0.83 -0.51 4.01 4.12 1mv5A1 PRO 377 HA 0.16 0.07 0.64 -0.51 4.44 4.80 1mv5A1 PRO 377 HB2 -0.03 0.03 0.06 -0.04 2.28 2.30 1mv5A1 PRO 377 HB3 0.07 0.05 0.18 -0.04 2.02 2.27 1mv5A1 PRO 377 HG2 -0.01 0.03 0.13 -0.04 2.03 2.13 1mv5A1 PRO 377 HG3 0.13 0.04 0.10 -0.04 2.03 2.26 1mv5A1 PRO 377 HD2 -0.36 0.24 0.35 -0.04 3.68 3.87 1mv5A1 PRO 377 HD3 -0.56 0.05 0.17 -0.04 3.65 3.27 1mv5A1 SER 378 H 0.08 0.14 0.21 -0.55 8.46 8.34 1mv5A1 SER 378 HA 0.05 0.00 0.54 -0.75 4.49 4.33 1mv5A1 SER 378 HB2 0.03 0.01 0.08 -0.04 3.95 4.03 1mv5A1 SER 378 HB3 0.06 0.07 0.16 -0.04 3.93 4.18 1mv5A1 GLY 379 H 0.01 0.07 0.18 -0.55 8.43 8.15 1mv5A1 GLY 379 HA2 0.01 -0.01 0.28 -0.51 4.01 3.78 1mv5A1 GLY 379 HA3 0.00 0.19 0.50 -0.51 4.01 4.19 1mv5A1 GLY 380 H -0.03 0.20 -0.19 -0.55 8.43 7.87 1mv5A1 GLY 380 HA2 -0.06 0.01 0.35 -0.51 4.01 3.79 1mv5A1 GLY 380 HA3 -0.09 0.19 0.23 -0.51 4.01 3.82 1mv5A1 GLY 381 H -0.04 -0.15 -0.02 -0.55 8.43 7.67 1mv5A1 GLY 381 HA2 0.02 0.01 0.16 -0.51 4.01 3.69 1mv5A1 GLY 381 HA3 -0.02 0.39 0.75 -0.51 4.01 4.62 1mv5A1 LYS 382 H -0.08 -0.04 0.04 -0.55 8.42 7.78 1mv5A1 LYS 382 HA -0.28 0.17 0.24 -0.75 4.32 3.69 1mv5A1 LYS 382 HB2 -0.09 -0.10 0.09 -0.04 1.87 1.73 1mv5A1 LYS 382 HB3 -0.20 0.09 -0.07 -0.04 1.79 1.57 1mv5A1 LYS 382 HG2 -0.13 0.06 -0.14 -0.04 1.46 1.21 1mv5A1 LYS 382 HG3 -0.12 -0.04 -0.09 -0.04 1.46 1.17 1mv5A1 LYS 382 HD2 -0.11 0.04 -0.09 -0.04 1.69 1.49 1mv5A1 LYS 382 HD3 -0.12 -0.04 -0.38 -0.04 1.68 1.10 1mv5A1 LYS 382 HE2 -0.08 0.13 -0.16 -0.04 2.99 2.84 1mv5A1 LYS 382 HE3 -0.02 -0.20 -0.03 -0.04 2.99 2.70 1mv5A1 SER 383 H -0.06 0.05 -0.13 -0.55 8.46 7.78 1mv5A1 SER 383 HA -0.06 0.14 0.40 -0.75 4.49 4.21 1mv5A1 SER 383 HB2 0.03 -0.05 -0.04 -0.04 3.95 3.85 1mv5A1 SER 383 HB3 0.06 0.07 -0.11 -0.04 3.93 3.91 1mv5A1 THR 384 H -0.02 0.04 -0.45 -0.55 8.28 7.30 1mv5A1 THR 384 HA 0.05 0.05 0.28 -0.75 4.39 4.02 1mv5A1 THR 384 HB -0.00 0.27 -0.02 -0.04 4.32 4.52 1mv5A1 THR 384 HG23 -0.13 0.00 -0.14 -0.04 1.22 0.91 1mv5A1 ILE 385 H -0.19 0.33 -0.40 -0.55 8.25 7.43 1mv5A1 ILE 385 HA -0.04 0.07 0.20 -0.75 4.18 3.65 1mv5A1 ILE 385 HB -0.56 0.12 0.02 -0.04 1.89 1.43 1mv5A1 ILE 385 HG12 0.07 0.01 -0.14 -0.04 1.49 1.39 1mv5A1 ILE 385 HG13 -0.09 0.00 -0.16 -0.04 1.21 0.92 1mv5A1 ILE 385 HG23 -0.19 0.01 -0.24 -0.04 0.93 0.47 1mv5A1 ILE 385 HD13 -0.16 -0.01 -0.19 -0.04 0.88 0.48 1mv5A1 PHE 386 H -0.16 0.23 -0.34 -0.55 8.34 7.52 1mv5A1 PHE 386 HA 0.02 0.09 0.20 -0.75 4.62 4.17 1mv5A1 PHE 386 HB2 0.02 0.09 0.10 -0.04 3.15 3.32 1mv5A1 PHE 386 HB3 0.15 0.00 -0.04 -0.04 3.06 3.13 1mv5A1 PHE 386 HD2 -0.13 -0.03 -0.16 -0.04 7.28 6.93 1mv5A1 PHE 386 HE2 -0.25 0.12 -0.04 -0.04 7.38 7.17 1mv5A1 PHE 386 HZ -0.16 -0.08 -0.42 -0.04 7.32 6.62 1mv5A1 SER 387 H 0.12 0.34 -0.38 -0.55 8.46 7.99 1mv5A1 SER 387 HA 0.16 0.03 0.14 -0.75 4.49 4.07 1mv5A1 SER 387 HB2 0.10 0.13 0.05 -0.04 3.95 4.19 1mv5A1 SER 387 HB3 0.27 -0.05 -0.11 -0.04 3.93 3.99 1mv5A1 LEU 388 H 0.05 0.46 -0.26 -0.55 8.37 8.07 1mv5A1 LEU 388 HA 0.04 0.13 0.50 -0.75 4.35 4.26 1mv5A1 LEU 388 HB2 -0.04 0.09 0.04 -0.04 1.64 1.69 1mv5A1 LEU 388 HB3 -0.05 0.01 -0.09 -0.04 1.64 1.46 1mv5A1 LEU 388 HG -0.37 0.03 -0.36 -0.04 1.64 0.90 1mv5A1 LEU 388 HD13 -0.73 0.04 -0.21 -0.04 0.93 -0.01 1mv5A1 LEU 388 HD23 -0.23 -0.02 -0.22 -0.04 0.89 0.38 1mv5A1 LEU 389 H 0.19 0.50 -0.26 -0.55 8.37 8.25 1mv5A1 LEU 389 HA 0.23 0.05 0.40 -0.75 4.35 4.27 1mv5A1 LEU 389 HB2 0.30 0.04 0.06 -0.04 1.64 2.00 1mv5A1 LEU 389 HB3 0.26 -0.03 -0.08 -0.04 1.64 1.75 1mv5A1 LEU 389 HG 0.28 0.06 -0.13 -0.04 1.64 1.81 1mv5A1 LEU 389 HD13 0.38 -0.03 -0.18 -0.04 0.93 1.06 1mv5A1 LEU 389 HD23 0.26 -0.01 -0.10 -0.04 0.89 1.01 1mv5A1 GLU 390 H 0.30 0.31 -0.43 -0.55 8.60 8.23 1mv5A1 GLU 390 HA 0.18 0.13 0.64 -0.75 4.29 4.48 1mv5A1 GLU 390 HB2 0.58 0.00 -0.01 -0.04 2.09 2.62 1mv5A1 GLU 390 HB3 0.10 -0.05 0.03 -0.04 1.99 2.02 1mv5A1 GLU 390 HG2 0.10 -0.01 -0.09 -0.04 2.34 2.29 1mv5A1 GLU 390 HG3 0.20 0.04 -0.17 -0.04 2.34 2.37 1mv5A1 ARG 391 H 0.22 0.22 -0.58 -0.55 8.46 7.77 1mv5A1 ARG 391 HA 0.08 0.21 0.30 -0.75 4.34 4.18 1mv5A1 ARG 391 HB2 0.18 0.15 -0.34 -0.04 1.90 1.85 1mv5A1 ARG 391 HB3 0.01 -0.08 0.17 -0.04 1.80 1.86 1mv5A1 ARG 391 HG2 -0.01 0.13 -0.03 -0.04 1.67 1.71 1mv5A1 ARG 391 HG3 0.01 0.02 -0.22 -0.04 1.67 1.44 1mv5A1 ARG 391 HD2 -0.02 -0.03 -0.03 -0.04 3.22 3.09 1mv5A1 ARG 391 HD3 -0.08 -0.03 -0.07 -0.04 3.22 3.00 1mv5A1 PHE 392 H 0.36 0.44 -0.04 -0.55 8.34 8.55 1mv5A1 PHE 392 HA -0.21 0.06 0.41 -0.75 4.62 4.12 1mv5A1 PHE 392 HB2 -0.28 -0.03 -0.02 -0.04 3.15 2.77 1mv5A1 PHE 392 HB3 -0.69 -0.05 -0.03 -0.04 3.06 2.24 1mv5A1 PHE 392 HD2 -0.09 0.08 -0.01 -0.04 7.28 7.23 1mv5A1 PHE 392 HE2 -0.06 -0.01 -0.07 -0.04 7.38 7.20 1mv5A1 PHE 392 HZ -0.14 -0.02 -0.07 -0.04 7.32 7.05 1mv5A1 TYR 393 H 0.10 0.21 -0.21 -0.55 8.29 7.84 1mv5A1 TYR 393 HA 0.06 0.18 0.56 -0.75 4.56 4.60 1mv5A1 TYR 393 HB2 -0.46 -0.04 -0.25 -0.04 3.06 2.27 1mv5A1 TYR 393 HB3 0.06 0.00 0.05 -0.04 2.98 3.04 1mv5A1 TYR 393 HD2 0.06 -0.00 -0.13 -0.04 7.15 7.03 1mv5A1 TYR 393 HE2 0.18 -0.03 -0.08 -0.04 6.85 6.88 1mv5A1 GLN 394 H 0.21 0.13 0.08 -0.55 8.47 8.34 1mv5A1 GLN 394 HA 0.00 0.20 0.63 -0.75 4.36 4.44 1mv5A1 GLN 394 HB2 0.13 -0.06 -0.01 -0.04 2.15 2.17 1mv5A1 GLN 394 HB3 0.06 0.18 -0.16 -0.04 2.02 2.06 1mv5A1 GLN 394 HG2 0.06 -0.05 -0.11 -0.04 2.40 2.26 1mv5A1 GLN 394 HG3 0.04 0.00 -0.06 -0.04 2.39 2.32 1mv5A1 GLN 394 HE21 -0.04 -0.02 -0.11 -0.04 6.97 6.76 1mv5A1 GLN 394 HE22 0.01 -0.03 -0.41 -0.04 7.69 7.22 1mv5A1 PRO 395 HA 0.09 0.05 0.50 -0.51 4.44 4.58 1mv5A1 PRO 395 HB2 0.01 -0.00 -0.09 -0.04 2.28 2.16 1mv5A1 PRO 395 HB3 0.01 0.03 0.08 -0.04 2.02 2.09 1mv5A1 PRO 395 HG2 -0.04 0.06 0.01 -0.04 2.03 2.02 1mv5A1 PRO 395 HG3 -0.05 -0.00 -0.00 -0.04 2.03 1.94 1mv5A1 PRO 395 HD2 -0.01 0.07 0.14 -0.04 3.68 3.84 1mv5A1 PRO 395 HD3 -0.03 0.13 0.21 -0.04 3.65 3.92 1mv5A1 THR 396 H 0.22 0.37 0.41 -0.55 8.28 8.72 1mv5A1 THR 396 HA 0.07 0.06 0.33 -0.75 4.39 4.10 1mv5A1 THR 396 HB -0.00 -0.00 0.09 -0.04 4.32 4.36 1mv5A1 THR 396 HG23 -0.03 0.00 0.13 -0.04 1.22 1.28 1mv5A1 ALA 397 H 0.05 0.24 -0.17 -0.55 8.40 7.97 1mv5A1 ALA 397 HA 0.01 0.06 0.50 -0.75 4.34 4.16 1mv5A1 ALA 397 HB3 0.01 0.00 -0.03 -0.04 1.41 1.35 1mv5A1 GLY 398 H 0.01 0.04 0.07 -0.55 8.43 8.01 1mv5A1 GLY 398 HA2 0.02 -0.10 0.44 -0.51 4.01 3.86 1mv5A1 GLY 398 HA3 0.04 0.39 0.41 -0.51 4.01 4.34 1mv5A1 GLU 399 H -0.01 0.04 0.14 -0.55 8.60 8.23 1mv5A1 GLU 399 HA -0.05 0.08 0.35 -0.75 4.29 3.92 1mv5A1 GLU 399 HB2 -0.03 -0.02 0.03 -0.04 2.09 2.02 1mv5A1 GLU 399 HB3 -0.06 -0.01 -0.03 -0.04 1.99 1.85 1mv5A1 GLU 399 HG2 -0.03 -0.01 0.04 -0.04 2.34 2.30 1mv5A1 GLU 399 HG3 -0.02 -0.01 0.07 -0.04 2.34 2.34 1mv5A1 ILE 400 H -0.09 0.24 0.17 -0.55 8.25 8.01 1mv5A1 ILE 400 HA -0.13 0.13 0.91 -0.75 4.18 4.34 1mv5A1 ILE 400 HB -0.11 -0.09 0.16 -0.04 1.89 1.81 1mv5A1 ILE 400 HG12 -0.13 0.02 -0.02 -0.04 1.49 1.32 1mv5A1 ILE 400 HG13 -0.08 -0.00 -0.32 -0.04 1.21 0.77 1mv5A1 ILE 400 HG23 -0.05 0.02 -0.08 -0.04 0.93 0.77 1mv5A1 ILE 400 HD13 -0.03 0.00 -0.13 -0.04 0.88 0.69 1mv5A1 THR 401 H -0.09 0.66 0.27 -0.55 8.28 8.57 1mv5A1 THR 401 HA -0.10 0.12 0.90 -0.75 4.39 4.56 1mv5A1 THR 401 HB -0.05 -0.04 -0.03 -0.04 4.32 4.15 1mv5A1 THR 401 HG23 -0.02 0.00 -0.43 -0.04 1.22 0.73 1mv5A1 ILE 402 H -0.07 0.89 0.23 -0.55 8.25 8.76 1mv5A1 ILE 402 HA 0.07 0.24 1.06 -0.75 4.18 4.79 1mv5A1 ILE 402 HB 0.11 -0.01 -0.03 -0.04 1.89 1.92 1mv5A1 ILE 402 HG12 0.37 -0.03 -0.03 -0.04 1.49 1.76 1mv5A1 ILE 402 HG13 0.14 0.03 -0.19 -0.04 1.21 1.15 1mv5A1 ILE 402 HG23 -0.07 -0.00 0.03 -0.04 0.93 0.85 1mv5A1 ILE 402 HD13 0.21 0.03 -0.04 -0.04 0.88 1.03 1mv5A1 ASP 403 H 0.05 0.90 0.27 -0.55 8.40 9.08 1mv5A1 ASP 403 HA 0.03 0.17 0.40 -0.75 4.63 4.48 1mv5A1 ASP 403 HB2 0.05 0.03 -0.35 -0.04 2.71 2.40 1mv5A1 ASP 403 HB3 0.03 -0.04 0.23 -0.04 2.70 2.88 1mv5A1 GLY 404 H 0.00 0.04 -0.70 -0.55 8.43 7.23 1mv5A1 GLY 404 HA2 -0.01 -0.06 0.22 -0.51 4.01 3.66 1mv5A1 GLY 404 HA3 -0.00 0.17 0.74 -0.51 4.01 4.41 1mv5A1 GLN 405 H -0.01 0.43 -0.17 -0.55 8.47 8.17 1mv5A1 GLN 405 HA -0.04 0.14 0.62 -0.75 4.36 4.33 1mv5A1 GLN 405 HB2 -0.04 0.01 0.06 -0.04 2.15 2.15 1mv5A1 GLN 405 HB3 -0.02 -0.02 0.04 -0.04 2.02 1.98 1mv5A1 GLN 405 HG2 -0.01 0.06 -0.00 -0.04 2.40 2.41 1mv5A1 GLN 405 HG3 -0.08 0.00 -0.29 -0.04 2.39 1.99 1mv5A1 GLN 405 HE21 0.01 -0.01 -0.10 -0.04 6.97 6.84 1mv5A1 GLN 405 HE22 0.02 -0.01 -0.08 -0.04 7.69 7.57 1mv5A1 PRO 406 HA -0.12 0.10 0.66 -0.51 4.44 4.57 1mv5A1 PRO 406 HB2 -0.10 0.09 0.07 -0.04 2.28 2.30 1mv5A1 PRO 406 HB3 -0.09 -0.01 0.08 -0.04 2.02 1.95 1mv5A1 PRO 406 HG2 -0.05 0.03 0.09 -0.04 2.03 2.06 1mv5A1 PRO 406 HG3 -0.06 -0.00 0.06 -0.04 2.03 1.99 1mv5A1 PRO 406 HD2 -0.05 0.08 0.24 -0.04 3.68 3.90 1mv5A1 PRO 406 HD3 -0.05 0.33 0.20 -0.04 3.65 4.10 1mv5A1 ILE 407 H -0.27 0.42 0.32 -0.55 8.25 8.17 1mv5A1 ILE 407 HA -0.62 0.04 0.27 -0.75 4.18 3.11 1mv5A1 ILE 407 HB -1.91 0.01 0.08 -0.04 1.89 0.03 1mv5A1 ILE 407 HG12 -0.29 0.08 0.10 -0.04 1.49 1.33 1mv5A1 ILE 407 HG13 -0.42 -0.04 0.05 -0.04 1.21 0.75 1mv5A1 ILE 407 HG23 -0.43 0.03 -0.07 -0.04 0.93 0.42 1mv5A1 ILE 407 HD13 -0.20 0.02 -0.03 -0.04 0.88 0.63 1mv5A1 ASP 408 H -0.26 0.09 -0.20 -0.55 8.40 7.48 1mv5A1 ASP 408 HA -0.26 -0.01 -0.02 -0.75 4.63 3.59 1mv5A1 ASP 408 HB2 -0.15 -0.01 0.07 -0.04 2.71 2.58 1mv5A1 ASP 408 HB3 -0.10 0.02 -0.10 -0.04 2.70 2.48 1mv5A1 ASN 409 H -0.14 0.17 0.08 -0.55 8.53 8.10 1mv5A1 ASN 409 HA -0.06 -0.05 0.21 -0.75 4.76 4.10 1mv5A1 ASN 409 HB2 -0.05 -0.03 -0.03 -0.04 2.88 2.73 1mv5A1 ASN 409 HB3 -0.06 0.14 -0.09 -0.04 2.79 2.74 1mv5A1 ASN 409 HD21 -0.02 -0.03 0.02 -0.04 7.03 6.97 1mv5A1 ASN 409 HD22 -0.03 0.01 -0.00 -0.04 7.74 7.68 1mv5A1 ILE 410 H -0.13 0.02 -0.25 -0.55 8.25 7.34 1mv5A1 ILE 410 HA -0.05 0.04 0.44 -0.75 4.18 3.85 1mv5A1 ILE 410 HB -0.12 0.51 -0.13 -0.04 1.89 2.11 1mv5A1 ILE 410 HG12 -0.05 -0.05 0.19 -0.04 1.49 1.54 1mv5A1 ILE 410 HG13 -0.07 0.17 -0.20 -0.04 1.21 1.08 1mv5A1 ILE 410 HG23 -0.06 -0.06 -0.04 -0.04 0.93 0.73 1mv5A1 ILE 410 HD13 -0.05 -0.05 0.05 -0.04 0.88 0.79 1mv5A1 SER 411 H -0.15 0.42 0.11 -0.55 8.46 8.30 1mv5A1 SER 411 HA 0.01 0.13 0.76 -0.75 4.49 4.64 1mv5A1 SER 411 HB2 -0.11 0.03 0.29 -0.04 3.95 4.11 1mv5A1 SER 411 HB3 0.15 -0.00 0.08 -0.04 3.93 4.12 1mv5A1 LEU 412 H 0.01 0.20 -0.02 -0.55 8.37 8.01 1mv5A1 LEU 412 HA -0.00 0.01 0.33 -0.75 4.35 3.93 1mv5A1 LEU 412 HB2 0.03 -0.01 -0.06 -0.04 1.64 1.56 1mv5A1 LEU 412 HB3 0.02 -0.01 -0.00 -0.04 1.64 1.60 1mv5A1 LEU 412 HG 0.00 0.06 0.03 -0.04 1.64 1.69 1mv5A1 LEU 412 HD13 0.01 0.01 -0.01 -0.04 0.93 0.90 1mv5A1 LEU 412 HD23 -0.01 0.00 -0.02 -0.04 0.89 0.82 1mv5A1 GLU 413 H 0.02 0.14 0.12 -0.55 8.60 8.33 1mv5A1 GLU 413 HA 0.14 0.12 0.36 -0.75 4.29 4.16 1mv5A1 GLU 413 HB2 0.00 -0.02 0.20 -0.04 2.09 2.23 1mv5A1 GLU 413 HB3 0.00 0.03 0.26 -0.04 1.99 2.24 1mv5A1 GLU 413 HG2 0.04 0.04 0.04 -0.04 2.34 2.42 1mv5A1 GLU 413 HG3 -0.01 -0.04 0.08 -0.04 2.34 2.33 1mv5A1 ASN 414 H 0.13 1.12 0.13 -0.55 8.53 9.37 1mv5A1 ASN 414 HA 0.02 0.09 0.55 -0.75 4.76 4.66 1mv5A1 ASN 414 HB2 0.05 0.05 -0.04 -0.04 2.88 2.90 1mv5A1 ASN 414 HB3 0.03 0.02 0.13 -0.04 2.79 2.93 1mv5A1 ASN 414 HD21 0.01 0.01 -0.15 -0.04 7.03 6.86 1mv5A1 ASN 414 HD22 0.03 0.00 -0.17 -0.04 7.74 7.56 1mv5A1 TRP 415 H 0.22 0.15 0.08 -0.55 7.97 7.87 1mv5A1 TRP 415 HA -0.02 0.12 0.47 -0.75 4.62 4.43 1mv5A1 TRP 415 HB2 -0.02 0.21 0.09 -0.04 3.23 3.47 1mv5A1 TRP 415 HB3 -0.04 -0.10 0.12 -0.04 3.23 3.18 1mv5A1 TRP 415 HD1 -0.05 0.02 -0.18 -0.04 7.22 6.96 1mv5A1 TRP 415 HE1 -0.01 0.24 -0.12 -0.04 10.20 10.27 1mv5A1 TRP 415 HE3 -0.01 0.00 0.08 -0.04 7.59 7.62 1mv5A1 TRP 415 HZ2 0.02 0.09 -0.01 -0.04 7.44 7.50 1mv5A1 TRP 415 HZ3 -0.00 0.01 -0.00 -0.04 7.13 7.10 1mv5A1 TRP 415 HH2 0.01 0.00 -0.04 -0.04 7.19 7.12 1mv5A1 ARG 416 H -0.04 0.02 -0.18 -0.55 8.46 7.71 1mv5A1 ARG 416 HA -0.41 0.10 0.25 -0.75 4.34 3.52 1mv5A1 ARG 416 HB2 -0.10 0.02 0.05 -0.04 1.90 1.83 1mv5A1 ARG 416 HB3 -0.16 0.04 0.10 -0.04 1.80 1.74 1mv5A1 ARG 416 HG2 -0.16 0.08 -0.07 -0.04 1.67 1.48 1mv5A1 ARG 416 HG3 -0.03 -0.14 -0.08 -0.04 1.67 1.38 1mv5A1 ARG 416 HD2 -0.11 0.04 0.02 -0.04 3.22 3.12 1mv5A1 ARG 416 HD3 -0.17 -0.03 0.01 -0.04 3.22 2.99 1mv5A1 SER 417 H -0.12 0.10 -0.70 -0.55 8.46 7.20 1mv5A1 SER 417 HA -0.10 0.15 0.31 -0.75 4.49 4.09 1mv5A1 SER 417 HB2 -0.04 0.08 0.06 -0.04 3.95 4.01 1mv5A1 SER 417 HB3 -0.04 -0.08 0.01 -0.04 3.93 3.77 1mv5A1 GLN 418 H -0.33 0.26 -0.31 -0.55 8.47 7.55 1mv5A1 GLN 418 HA -0.15 0.13 0.85 -0.75 4.36 4.44 1mv5A1 GLN 418 HB2 -0.71 0.27 0.16 -0.04 2.15 1.83 1mv5A1 GLN 418 HB3 -0.29 -0.09 0.08 -0.04 2.02 1.68 1mv5A1 GLN 418 HG2 -0.05 0.05 -0.07 -0.04 2.40 2.30 1mv5A1 GLN 418 HG3 -0.01 -0.02 0.04 -0.04 2.39 2.36 1mv5A1 GLN 418 HE21 0.18 -0.01 0.00 -0.04 6.97 7.10 1mv5A1 GLN 418 HE22 0.16 -0.00 0.01 -0.04 7.69 7.82 1mv5A1 ILE 419 H -0.47 0.05 -0.09 -0.55 8.25 7.20 1mv5A1 ILE 419 HA -0.29 0.18 0.79 -0.75 4.18 4.11 1mv5A1 ILE 419 HB -0.36 0.02 -0.04 -0.04 1.89 1.47 1mv5A1 ILE 419 HG12 -0.65 0.02 -0.08 -0.04 1.49 0.74 1mv5A1 ILE 419 HG13 -1.20 -0.05 -0.06 -0.04 1.21 -0.13 1mv5A1 ILE 419 HG23 -0.16 -0.02 -0.14 -0.04 0.93 0.56 1mv5A1 ILE 419 HD13 -1.03 -0.04 -0.12 -0.04 0.88 -0.35 1mv5A1 GLY 420 H -0.14 0.34 0.22 -0.55 8.43 8.30 1mv5A1 GLY 420 HA2 -0.07 0.09 0.66 -0.51 4.01 4.18 1mv5A1 GLY 420 HA3 -0.09 0.06 0.26 -0.51 4.01 3.73 1mv5A1 PHE 421 H 0.07 0.26 0.13 -0.55 8.34 8.26 1mv5A1 PHE 421 HA -0.16 0.35 0.97 -0.75 4.62 5.03 1mv5A1 PHE 421 HB2 -0.13 0.03 -0.13 -0.04 3.15 2.88 1mv5A1 PHE 421 HB3 -0.06 -0.02 0.07 -0.04 3.06 3.01 1mv5A1 PHE 421 HD2 -0.07 0.01 -0.56 -0.04 7.28 6.62 1mv5A1 PHE 421 HE2 0.04 -0.07 -0.20 -0.04 7.38 7.11 1mv5A1 PHE 421 HZ 0.04 -0.06 -0.17 -0.04 7.32 7.09 1mv5A1 VAL 422 H -0.12 0.48 0.22 -0.55 8.24 8.27 1mv5A1 VAL 422 HA 0.16 0.19 0.99 -0.75 4.13 4.71 1mv5A1 VAL 422 HB -0.05 -0.04 0.11 -0.04 2.12 2.10 1mv5A1 VAL 422 HG13 0.02 -0.02 -0.11 -0.04 0.97 0.82 1mv5A1 VAL 422 HG23 -0.04 0.03 -0.21 -0.04 0.95 0.69 1mv5A1 SER 423 H 0.23 0.37 0.19 -0.55 8.46 8.71 1mv5A1 SER 423 HA 0.04 0.17 0.76 -0.75 4.49 4.71 1mv5A1 SER 423 HB2 0.48 -0.01 -0.17 -0.04 3.95 4.20 1mv5A1 SER 423 HB3 0.15 -0.07 0.01 -0.04 3.93 3.98 1mv5A1 GLN 424 H 0.06 0.23 0.22 -0.55 8.47 8.44 1mv5A1 GLN 424 HA 0.06 0.21 0.84 -0.75 4.36 4.72 1mv5A1 GLN 424 HB2 0.04 -0.05 -0.16 -0.04 2.15 1.93 1mv5A1 GLN 424 HB3 0.03 -0.03 -0.07 -0.04 2.02 1.91 1mv5A1 GLN 424 HG2 0.03 -0.06 -0.05 -0.04 2.40 2.28 1mv5A1 GLN 424 HG3 0.04 0.07 0.09 -0.04 2.39 2.54 1mv5A1 GLN 424 HE21 0.05 0.04 -0.06 -0.04 6.97 6.96 1mv5A1 GLN 424 HE22 0.04 -0.04 -0.27 -0.04 7.69 7.37 1mv5A1 ASP 425 H 0.03 0.47 0.21 -0.55 8.40 8.55 1mv5A1 ASP 425 HA 0.01 0.01 0.34 -0.75 4.63 4.24 1mv5A1 ASP 425 HB2 0.03 0.03 -0.37 -0.04 2.71 2.36 1mv5A1 ASP 425 HB3 0.01 -0.00 0.06 -0.04 2.70 2.73 1mv5A1 SER 426 H 0.01 0.14 0.08 -0.55 8.46 8.14 1mv5A1 SER 426 HA 0.01 0.01 0.42 -0.75 4.49 4.17 1mv5A1 SER 426 HB2 0.00 0.06 0.11 -0.04 3.95 4.08 1mv5A1 SER 426 HB3 0.00 -0.01 0.15 -0.04 3.93 4.02 1mv5A1 ALA 427 H 0.01 0.15 0.46 -0.55 8.40 8.48 1mv5A1 ALA 427 HA 0.01 0.16 0.80 -0.75 4.34 4.55 1mv5A1 ALA 427 HB3 0.02 -0.01 0.04 -0.04 1.41 1.42 1mv5A1 ILE 428 H 0.01 0.47 0.23 -0.55 8.25 8.40 1mv5A1 ILE 428 HA 0.01 0.08 0.57 -0.75 4.18 4.10 1mv5A1 ILE 428 HB 0.01 0.01 -0.02 -0.04 1.89 1.85 1mv5A1 ILE 428 HG12 0.01 0.02 0.02 -0.04 1.49 1.49 1mv5A1 ILE 428 HG13 0.01 -0.02 -0.43 -0.04 1.21 0.73 1mv5A1 ILE 428 HG23 0.01 -0.02 -0.19 -0.04 0.93 0.70 1mv5A1 ILE 428 HD13 0.01 -0.00 -0.06 -0.04 0.88 0.78 1mv5A1 MET 429 H 0.02 0.26 0.08 -0.55 8.47 8.28 1mv5A1 MET 429 HA 0.03 0.18 0.64 -0.75 4.52 4.61 1mv5A1 MET 429 HB2 0.04 0.08 -0.01 -0.04 2.15 2.22 1mv5A1 MET 429 HB3 0.03 0.06 0.01 -0.04 2.03 2.09 1mv5A1 MET 429 HG2 0.03 -0.07 -0.04 -0.04 2.63 2.51 1mv5A1 MET 429 HG3 0.03 -0.03 -0.03 -0.04 2.56 2.49 1mv5A1 MET 429 HE3 0.04 0.01 -0.12 -0.04 2.10 2.00 1mv5A1 ALA 430 H 0.04 0.25 0.02 -0.55 8.40 8.16 1mv5A1 ALA 430 HA 0.02 0.22 0.99 -0.75 4.34 4.82 1mv5A1 ALA 430 HB3 0.03 0.01 0.04 -0.04 1.41 1.45 1mv5A1 GLY 431 H 0.01 0.29 0.19 -0.55 8.43 8.38 1mv5A1 GLY 431 HA2 -0.00 0.03 0.28 -0.51 4.01 3.82 1mv5A1 GLY 431 HA3 -0.00 0.26 0.90 -0.51 4.01 4.65 1mv5A1 THR 432 H -0.03 0.14 0.12 -0.55 8.28 7.96 1mv5A1 THR 432 HA -0.02 0.58 0.51 -0.75 4.39 4.71 1mv5A1 THR 432 HB -0.06 -0.14 0.09 -0.04 4.32 4.17 1mv5A1 THR 432 HG23 -0.05 -0.05 -0.10 -0.04 1.22 0.97 1mv5A1 ILE 433 H -0.05 0.38 0.17 -0.55 8.25 8.21 1mv5A1 ILE 433 HA -0.04 0.05 0.34 -0.75 4.18 3.77 1mv5A1 ILE 433 HB -0.11 0.09 0.17 -0.04 1.89 2.00 1mv5A1 ILE 433 HG12 -0.01 -0.01 -0.02 -0.04 1.49 1.40 1mv5A1 ILE 433 HG13 -0.02 0.05 0.01 -0.04 1.21 1.21 1mv5A1 ILE 433 HG23 -0.18 -0.00 -0.12 -0.04 0.93 0.58 1mv5A1 ILE 433 HD13 -0.04 0.00 -0.08 -0.04 0.88 0.72 1mv5A1 ARG 434 H -0.11 0.35 -0.06 -0.55 8.46 8.09 1mv5A1 ARG 434 HA -0.15 0.03 0.24 -0.75 4.34 3.71 1mv5A1 ARG 434 HB2 -0.13 0.04 0.04 -0.04 1.90 1.81 1mv5A1 ARG 434 HB3 -0.09 -0.09 0.05 -0.04 1.80 1.63 1mv5A1 ARG 434 HG2 -0.09 0.07 -0.20 -0.04 1.67 1.40 1mv5A1 ARG 434 HG3 -0.12 0.00 -0.09 -0.04 1.67 1.42 1mv5A1 ARG 434 HD2 -0.10 -0.07 -0.08 -0.04 3.22 2.93 1mv5A1 ARG 434 HD3 -0.06 0.01 -0.09 -0.04 3.22 3.04 1mv5A1 GLU 435 H -0.09 -0.07 -0.33 -0.55 8.60 7.57 1mv5A1 GLU 435 HA -0.16 0.07 0.04 -0.75 4.29 3.49 1mv5A1 GLU 435 HB2 -0.08 -0.11 0.16 -0.04 2.09 2.02 1mv5A1 GLU 435 HB3 -0.13 0.07 -0.02 -0.04 1.99 1.87 1mv5A1 GLU 435 HG2 -0.13 0.09 0.00 -0.04 2.34 2.27 1mv5A1 GLU 435 HG3 -0.08 -0.04 0.01 -0.04 2.34 2.19 1mv5A1 ASN 436 H -0.06 0.65 -0.35 -0.55 8.53 8.22 1mv5A1 ASN 436 HA 0.01 -0.01 0.25 -0.75 4.76 4.26 1mv5A1 ASN 436 HB2 -0.02 0.08 0.08 -0.04 2.88 2.98 1mv5A1 ASN 436 HB3 0.02 -0.05 -0.05 -0.04 2.79 2.67 1mv5A1 ASN 436 HD21 0.02 -0.07 -0.51 -0.04 7.03 6.43 1mv5A1 ASN 436 HD22 0.01 -0.04 -0.29 -0.04 7.74 7.38 1mv5A1 LEU 437 H -0.07 0.65 -0.00 -0.55 8.37 8.40 1mv5A1 LEU 437 HA -0.02 0.00 0.40 -0.75 4.35 3.98 1mv5A1 LEU 437 HB2 -0.11 0.05 0.11 -0.04 1.64 1.65 1mv5A1 LEU 437 HB3 -0.07 -0.07 0.15 -0.04 1.64 1.61 1mv5A1 LEU 437 HG -0.09 0.12 -0.02 -0.04 1.64 1.61 1mv5A1 LEU 437 HD13 -0.12 -0.04 -0.07 -0.04 0.93 0.66 1mv5A1 LEU 437 HD23 -0.01 -0.05 -0.07 -0.04 0.89 0.71 1mv5A1 THR 438 H -0.08 0.36 -0.87 -0.55 8.28 7.14 1mv5A1 THR 438 HA -0.08 0.07 0.91 -0.75 4.39 4.54 1mv5A1 THR 438 HB -0.17 -0.00 -0.08 -0.04 4.32 4.02 1mv5A1 THR 438 HG23 -0.17 -0.00 -0.05 -0.04 1.22 0.95 1mv5A1 TYR 439 H 0.17 0.16 0.10 -0.55 8.29 8.18 1mv5A1 TYR 439 HA -0.03 0.18 0.78 -0.75 4.56 4.73 1mv5A1 TYR 439 HB2 -0.04 -0.01 0.12 -0.04 3.06 3.09 1mv5A1 TYR 439 HB3 -0.03 -0.03 0.10 -0.04 2.98 2.99 1mv5A1 TYR 439 HD2 -0.03 0.02 0.07 -0.04 7.15 7.18 1mv5A1 TYR 439 HE2 -0.02 -0.03 0.00 -0.04 6.85 6.77 1mv5A1 GLY 440 H 0.03 0.05 -0.19 -0.55 8.43 7.77 1mv5A1 GLY 440 HA2 0.01 0.04 0.53 -0.51 4.01 4.08 1mv5A1 GLY 440 HA3 -0.02 0.04 0.29 -0.51 4.01 3.81 1mv5A1 LEU 441 H 0.02 0.15 0.21 -0.55 8.37 8.20 1mv5A1 LEU 441 HA 0.04 0.14 0.35 -0.75 4.35 4.12 1mv5A1 LEU 441 HB2 0.06 0.02 0.14 -0.04 1.64 1.82 1mv5A1 LEU 441 HB3 0.05 -0.04 0.10 -0.04 1.64 1.71 1mv5A1 LEU 441 HG 0.16 0.04 0.06 -0.04 1.64 1.86 1mv5A1 LEU 441 HD13 0.13 -0.00 0.05 -0.04 0.93 1.07 1mv5A1 LEU 441 HD23 0.05 -0.01 0.01 -0.04 0.89 0.89 1mv5A1 GLU 442 H -0.03 -0.12 -0.57 -0.55 8.60 7.34 1mv5A1 GLU 442 HA 0.05 0.08 0.54 -0.75 4.29 4.20 1mv5A1 GLU 442 HB2 -0.02 -0.02 0.06 -0.04 2.09 2.07 1mv5A1 GLU 442 HB3 -0.00 0.07 -0.01 -0.04 1.99 2.01 1mv5A1 GLU 442 HG2 0.02 -0.00 -0.01 -0.04 2.34 2.31 1mv5A1 GLU 442 HG3 0.01 -0.16 -0.04 -0.04 2.34 2.11 1mv5A1 GLY 443 H -0.12 0.03 -0.13 -0.55 8.43 7.66 1mv5A1 GLY 443 HA2 -0.10 0.12 0.64 -0.51 4.01 4.15 1mv5A1 GLY 443 HA3 -0.11 0.00 0.27 -0.51 4.01 3.66 1mv5A1 ASP 444 H -0.15 0.05 0.08 -0.55 8.40 7.83 1mv5A1 ASP 444 HA -0.14 -0.20 0.39 -0.75 4.63 3.93 1mv5A1 ASP 444 HB2 -0.15 -0.04 -0.01 -0.04 2.71 2.47 1mv5A1 ASP 444 HB3 -0.23 0.16 -0.08 -0.04 2.70 2.52 1mv5A1 TYR 445 H -0.02 -0.35 0.21 -0.55 8.29 7.58 1mv5A1 TYR 445 HA -0.02 0.18 0.41 -0.75 4.56 4.38 1mv5A1 TYR 445 HB2 -0.01 -0.02 -0.06 -0.04 3.06 2.93 1mv5A1 TYR 445 HB3 -0.01 -0.07 0.13 -0.04 2.98 2.99 1mv5A1 TYR 445 HD2 -0.01 -0.14 0.02 -0.04 7.15 6.98 1mv5A1 TYR 445 HE2 -0.01 0.02 0.05 -0.04 6.85 6.87 1mv5A1 THR 446 H 0.01 -0.15 0.26 -0.55 8.28 7.85 1mv5A1 THR 446 HA 0.05 0.28 0.89 -0.75 4.39 4.85 1mv5A1 THR 446 HB 0.04 -0.18 0.10 -0.04 4.32 4.24 1mv5A1 THR 446 HG23 0.05 -0.12 0.06 -0.04 1.22 1.17 1mv5A1 ASP 447 H 0.03 0.29 0.19 -0.55 8.40 8.37 1mv5A1 ASP 447 HA -0.09 0.13 0.45 -0.75 4.63 4.36 1mv5A1 ASP 447 HB2 0.10 0.02 0.05 -0.04 2.71 2.84 1mv5A1 ASP 447 HB3 0.03 0.02 0.04 -0.04 2.70 2.76 1mv5A1 GLU 448 H 0.09 0.08 -0.12 -0.55 8.60 8.10 1mv5A1 GLU 448 HA 0.38 0.14 0.56 -0.75 4.29 4.62 1mv5A1 GLU 448 HB2 0.11 0.01 0.09 -0.04 2.09 2.26 1mv5A1 GLU 448 HB3 0.08 0.04 -0.00 -0.04 1.99 2.07 1mv5A1 GLU 448 HG2 0.12 -0.03 0.07 -0.04 2.34 2.46 1mv5A1 GLU 448 HG3 0.06 0.04 0.02 -0.04 2.34 2.42 1mv5A1 ASP 449 H 0.04 0.08 -0.28 -0.55 8.40 7.68 1mv5A1 ASP 449 HA 0.03 0.13 0.44 -0.75 4.63 4.47 1mv5A1 ASP 449 HB2 -0.01 0.03 0.22 -0.04 2.71 2.92 1mv5A1 ASP 449 HB3 -0.01 0.11 0.12 -0.04 2.70 2.88 1mv5A1 LEU 450 H -0.07 0.18 -0.36 -0.55 8.37 7.57 1mv5A1 LEU 450 HA -0.11 0.13 0.26 -0.75 4.35 3.87 1mv5A1 LEU 450 HB2 -0.38 0.16 0.11 -0.04 1.64 1.49 1mv5A1 LEU 450 HB3 -0.32 -0.01 0.02 -0.04 1.64 1.29 1mv5A1 LEU 450 HG -0.12 0.08 0.15 -0.04 1.64 1.70 1mv5A1 LEU 450 HD13 -0.21 -0.01 -0.00 -0.04 0.93 0.67 1mv5A1 LEU 450 HD23 -0.13 0.02 -0.01 -0.04 0.89 0.73 1mv5A1 TRP 451 H 0.04 0.23 -0.45 -0.55 7.97 7.25 1mv5A1 TRP 451 HA -0.07 -0.02 0.32 -0.75 4.62 4.09 1mv5A1 TRP 451 HB2 -0.05 0.16 0.22 -0.04 3.23 3.52 1mv5A1 TRP 451 HB3 -0.06 -0.03 0.05 -0.04 3.23 3.14 1mv5A1 TRP 451 HD1 -0.03 -0.07 -0.06 -0.04 7.22 7.02 1mv5A1 TRP 451 HE1 -0.03 -0.03 -0.02 -0.04 10.20 10.08 1mv5A1 TRP 451 HE3 -0.09 -0.09 0.01 -0.04 7.59 7.38 1mv5A1 TRP 451 HZ2 -0.04 -0.02 0.03 -0.04 7.44 7.37 1mv5A1 TRP 451 HZ3 -0.12 -0.14 -0.16 -0.04 7.13 6.68 1mv5A1 TRP 451 HH2 -0.06 0.23 -0.40 -0.04 7.19 6.92 1mv5A1 GLN 452 H 0.09 0.39 -0.37 -0.55 8.47 8.02 1mv5A1 GLN 452 HA 0.02 0.00 0.32 -0.75 4.36 3.95 1mv5A1 GLN 452 HB2 0.01 0.23 0.17 -0.04 2.15 2.52 1mv5A1 GLN 452 HB3 -0.01 0.00 0.09 -0.04 2.02 2.06 1mv5A1 GLN 452 HG2 0.02 -0.04 0.02 -0.04 2.40 2.36 1mv5A1 GLN 452 HG3 0.07 0.18 0.07 -0.04 2.39 2.68 1mv5A1 GLN 452 HE21 0.03 -0.01 -0.07 -0.04 6.97 6.87 1mv5A1 GLN 452 HE22 0.03 -0.02 -0.08 -0.04 7.69 7.58 1mv5A1 VAL 453 H -0.03 0.28 -0.38 -0.55 8.24 7.57 1mv5A1 VAL 453 HA -0.17 0.12 0.40 -0.75 4.13 3.73 1mv5A1 VAL 453 HB -0.05 0.04 0.17 -0.04 2.12 2.24 1mv5A1 VAL 453 HG13 0.03 0.00 -0.08 -0.04 0.97 0.88 1mv5A1 VAL 453 HG23 0.02 0.01 -0.10 -0.04 0.95 0.84 1mv5A1 LEU 454 H -0.05 0.53 -0.04 -0.55 8.37 8.27 1mv5A1 LEU 454 HA -0.03 0.10 0.22 -0.75 4.35 3.87 1mv5A1 LEU 454 HB2 0.04 0.12 0.06 -0.04 1.64 1.82 1mv5A1 LEU 454 HB3 -0.09 -0.26 -0.08 -0.04 1.64 1.18 1mv5A1 LEU 454 HG -0.17 0.19 0.03 -0.04 1.64 1.65 1mv5A1 LEU 454 HD13 -0.56 -0.02 -0.18 -0.04 0.93 0.13 1mv5A1 LEU 454 HD23 -0.18 -0.00 -0.10 -0.04 0.89 0.57 1mv5A1 ASP 455 H -0.02 0.44 -0.45 -0.55 8.40 7.83 1mv5A1 ASP 455 HA -0.10 -0.17 0.43 -0.75 4.63 4.04 1mv5A1 ASP 455 HB2 -0.02 0.07 0.12 -0.04 2.71 2.83 1mv5A1 ASP 455 HB3 -0.08 0.21 0.12 -0.04 2.70 2.91 1mv5A1 LEU 456 H -0.17 0.40 -0.10 -0.55 8.37 7.95 1mv5A1 LEU 456 HA -0.02 0.03 0.40 -0.75 4.35 4.00 1mv5A1 LEU 456 HB2 -0.69 0.10 0.21 -0.04 1.64 1.23 1mv5A1 LEU 456 HB3 -1.35 0.01 0.02 -0.04 1.64 0.29 1mv5A1 LEU 456 HG -0.17 -0.04 0.09 -0.04 1.64 1.48 1mv5A1 LEU 456 HD13 -0.23 0.01 -0.01 -0.04 0.93 0.66 1mv5A1 LEU 456 HD23 -0.06 -0.01 0.03 -0.04 0.89 0.81 1mv5A1 ALA 457 H -0.06 0.33 -0.34 -0.55 8.40 7.79 1mv5A1 ALA 457 HA 0.30 0.12 0.54 -0.75 4.34 4.54 1mv5A1 ALA 457 HB3 0.19 0.00 -0.05 -0.04 1.41 1.52 1mv5A1 PHE 458 H 0.28 0.20 -0.43 -0.55 8.34 7.84 1mv5A1 PHE 458 HA 0.03 -0.01 0.39 -0.75 4.62 4.28 1mv5A1 PHE 458 HB2 0.10 0.16 0.24 -0.04 3.15 3.61 1mv5A1 PHE 458 HB3 0.09 -0.14 0.12 -0.04 3.06 3.09 1mv5A1 PHE 458 HD2 0.03 -0.14 -0.39 -0.04 7.28 6.74 1mv5A1 PHE 458 HE2 0.01 0.01 -0.00 -0.04 7.38 7.36 1mv5A1 PHE 458 HZ 0.02 -0.03 -0.03 -0.04 7.32 7.25 1mv5A1 ALA 459 H 0.01 0.45 0.23 -0.55 8.40 8.54 1mv5A1 ALA 459 HA -0.17 0.00 0.63 -0.75 4.34 4.05 1mv5A1 ALA 459 HB3 -0.46 0.05 -0.11 -0.04 1.41 0.85 1mv5A1 ARG 460 H 0.01 0.23 -0.04 -0.55 8.46 8.11 1mv5A1 ARG 460 HA 0.49 0.07 0.23 -0.75 4.34 4.38 1mv5A1 ARG 460 HB2 0.03 0.05 0.11 -0.04 1.90 2.05 1mv5A1 ARG 460 HB3 0.12 0.04 0.06 -0.04 1.80 1.97 1mv5A1 ARG 460 HG2 -0.07 -0.01 -0.07 -0.04 1.67 1.48 1mv5A1 ARG 460 HG3 -0.08 0.01 -0.24 -0.04 1.67 1.33 1mv5A1 ARG 460 HD2 -0.17 0.01 -0.01 -0.04 3.22 3.01 1mv5A1 ARG 460 HD3 -0.08 0.03 0.00 -0.04 3.22 3.13 1mv5A1 SER 461 H 0.01 -0.06 -1.08 -0.55 8.46 6.79 1mv5A1 SER 461 HA 0.03 0.21 0.71 -0.75 4.49 4.69 1mv5A1 SER 461 HB2 0.10 0.05 -0.07 -0.04 3.95 3.98 1mv5A1 SER 461 HB3 0.02 0.06 -0.05 -0.04 3.93 3.92 1mv5A1 PHE 462 H -0.00 0.18 0.02 -0.55 8.34 7.99 1mv5A1 PHE 462 HA 0.06 0.26 0.91 -0.75 4.62 5.09 1mv5A1 PHE 462 HB2 0.05 0.03 0.13 -0.04 3.15 3.31 1mv5A1 PHE 462 HB3 0.05 -0.01 -0.01 -0.04 3.06 3.05 1mv5A1 PHE 462 HD2 0.06 0.02 0.01 -0.04 7.28 7.32 1mv5A1 PHE 462 HE2 0.05 0.09 -0.03 -0.04 7.38 7.45 1mv5A1 PHE 462 HZ 0.04 0.11 -0.04 -0.04 7.32 7.38 1mv5A1 VAL 463 H -0.04 0.27 -0.15 -0.55 8.24 7.78 1mv5A1 VAL 463 HA 0.01 0.19 0.67 -0.75 4.13 4.23 1mv5A1 VAL 463 HB -0.06 0.02 -0.11 -0.04 2.12 1.93 1mv5A1 VAL 463 HG13 -0.28 -0.01 -0.10 -0.04 0.97 0.55 1mv5A1 VAL 463 HG23 -0.54 -0.00 -0.16 -0.04 0.95 0.21 1mv5A1 GLU 464 H 0.13 -0.01 -0.45 -0.55 8.60 7.72 1mv5A1 GLU 464 HA 0.20 0.17 0.74 -0.75 4.29 4.64 1mv5A1 GLU 464 HB2 0.01 0.16 0.15 -0.04 2.09 2.37 1mv5A1 GLU 464 HB3 -0.04 0.01 0.03 -0.04 1.99 1.96 1mv5A1 GLU 464 HG2 -0.31 -0.01 0.06 -0.04 2.34 2.03 1mv5A1 GLU 464 HG3 -0.32 -0.12 -0.10 -0.04 2.34 1.77 1mv5A1 ASN 465 H 0.09 0.17 -0.15 -0.55 8.53 8.09 1mv5A1 ASN 465 HA 0.05 0.10 0.36 -0.75 4.76 4.52 1mv5A1 ASN 465 HB2 0.10 0.08 0.18 -0.04 2.88 3.20 1mv5A1 ASN 465 HB3 0.06 -0.03 0.19 -0.04 2.79 2.97 1mv5A1 ASN 465 HD21 0.03 -0.03 0.04 -0.04 7.03 7.02 1mv5A1 ASN 465 HD22 0.05 -0.03 0.06 -0.04 7.74 7.77 1mv5A1 MET 466 H 0.10 0.19 -1.77 -0.55 8.47 6.44 1mv5A1 MET 466 HA 0.08 0.15 0.69 -0.75 4.52 4.68 1mv5A1 MET 466 HB2 0.12 0.19 -0.27 -0.04 2.15 2.15 1mv5A1 MET 466 HB3 0.09 0.06 -0.19 -0.04 2.03 1.94 1mv5A1 MET 466 HG2 0.06 -0.07 -0.09 -0.04 2.63 2.49 1mv5A1 MET 466 HG3 0.10 0.01 0.03 -0.04 2.56 2.67 1mv5A1 MET 466 HE3 0.25 0.01 -0.02 -0.04 2.10 2.29 1mv5A1 PRO 467 HA 0.04 0.09 0.32 -0.51 4.44 4.38 1mv5A1 PRO 467 HB2 0.03 -0.11 0.15 -0.04 2.28 2.30 1mv5A1 PRO 467 HB3 0.03 0.07 0.13 -0.04 2.02 2.21 1mv5A1 PRO 467 HG2 0.03 0.02 0.09 -0.04 2.03 2.13 1mv5A1 PRO 467 HG3 0.03 0.08 0.10 -0.04 2.03 2.20 1mv5A1 PRO 467 HD2 0.06 0.09 0.19 -0.04 3.68 3.98 1mv5A1 PRO 467 HD3 0.05 0.22 0.16 -0.04 3.65 4.04 1mv5A1 ASP 468 H 0.03 0.12 0.01 -0.55 8.40 8.01 1mv5A1 ASP 468 HA 0.03 0.14 0.41 -0.75 4.63 4.46 1mv5A1 ASP 468 HB2 0.02 -0.01 -0.26 -0.04 2.71 2.41 1mv5A1 ASP 468 HB3 0.02 0.01 0.09 -0.04 2.70 2.78 1mv5A1 GLN 469 H 0.06 0.21 -1.33 -0.55 8.47 6.87 1mv5A1 GLN 469 HA 0.12 0.32 0.20 -0.75 4.36 4.25 1mv5A1 GLN 469 HB2 0.15 0.06 -0.07 -0.04 2.15 2.24 1mv5A1 GLN 469 HB3 0.33 -0.27 0.29 -0.04 2.02 2.33 1mv5A1 GLN 469 HG2 0.20 0.19 0.24 -0.04 2.40 2.99 1mv5A1 GLN 469 HG3 0.11 0.10 0.04 -0.04 2.39 2.61 1mv5A1 GLN 469 HE21 -0.07 -0.07 0.05 -0.04 6.97 6.84 1mv5A1 GLN 469 HE22 0.04 0.11 0.15 -0.04 7.69 7.95 1mv5A1 LEU 470 H 0.05 0.17 0.18 -0.55 8.37 8.22 1mv5A1 LEU 470 HA -0.22 0.02 0.29 -0.75 4.35 3.69 1mv5A1 LEU 470 HB2 -0.12 0.05 0.08 -0.04 1.64 1.61 1mv5A1 LEU 470 HB3 -0.25 -0.06 0.05 -0.04 1.64 1.33 1mv5A1 LEU 470 HG -0.75 0.04 0.07 -0.04 1.64 0.96 1mv5A1 LEU 470 HD13 -0.63 0.02 0.05 -0.04 0.93 0.34 1mv5A1 LEU 470 HD23 -1.07 -0.00 -0.05 -0.04 0.89 -0.27 1mv5A1 ASN 471 H -0.01 0.49 -0.54 -0.55 8.53 7.91 1mv5A1 ASN 471 HA -0.04 0.06 0.81 -0.75 4.76 4.83 1mv5A1 ASN 471 HB2 0.00 0.14 0.11 -0.04 2.88 3.08 1mv5A1 ASN 471 HB3 -0.01 -0.02 0.17 -0.04 2.79 2.89 1mv5A1 ASN 471 HD21 0.01 -0.02 -0.02 -0.04 7.03 6.95 1mv5A1 ASN 471 HD22 0.01 0.10 0.03 -0.04 7.74 7.85 1mv5A1 THR 472 H -0.03 0.23 -0.41 -0.55 8.28 7.52 1mv5A1 THR 472 HA 0.00 0.13 0.63 -0.75 4.39 4.39 1mv5A1 THR 472 HB 0.01 -0.04 -0.07 -0.04 4.32 4.18 1mv5A1 THR 472 HG23 0.02 0.03 0.01 -0.04 1.22 1.24 1mv5A1 GLU 473 H 0.00 0.17 0.14 -0.55 8.60 8.36 1mv5A1 GLU 473 HA -0.00 0.05 0.26 -0.75 4.29 3.84 1mv5A1 GLU 473 HB2 0.00 0.01 0.10 -0.04 2.09 2.17 1mv5A1 GLU 473 HB3 0.00 0.06 -0.09 -0.04 1.99 1.92 1mv5A1 GLU 473 HG2 -0.01 -0.01 -0.07 -0.04 2.34 2.21 1mv5A1 GLU 473 HG3 -0.00 0.07 -0.01 -0.04 2.34 2.36 1mv5A1 VAL 474 H 0.01 0.63 0.16 -0.55 8.24 8.50 1mv5A1 VAL 474 HA 0.02 -0.09 0.96 -0.75 4.13 4.27 1mv5A1 VAL 474 HB 0.02 0.20 0.03 -0.04 2.12 2.33 1mv5A1 VAL 474 HG13 0.03 0.00 -0.20 -0.04 0.97 0.77 1mv5A1 VAL 474 HG23 0.03 -0.00 -0.21 -0.04 0.95 0.72 1mv5A1 GLY 475 H 0.02 0.29 0.05 -0.55 8.43 8.25 1mv5A1 GLY 475 HA2 0.01 0.13 0.37 -0.51 4.01 4.02 1mv5A1 GLY 475 HA3 0.02 0.06 0.47 -0.51 4.01 4.05 1mv5A1 GLU 476 H 0.01 0.22 0.23 -0.55 8.60 8.51 1mv5A1 GLU 476 HA 0.01 0.01 0.30 -0.75 4.29 3.85 1mv5A1 GLU 476 HB2 0.01 0.04 0.12 -0.04 2.09 2.23 1mv5A1 GLU 476 HB3 0.01 -0.01 0.13 -0.04 1.99 2.07 1mv5A1 GLU 476 HG2 0.01 -0.01 0.18 -0.04 2.34 2.48 1mv5A1 GLU 476 HG3 0.01 0.01 -0.16 -0.04 2.34 2.17 1mv5A1 ARG 477 H 0.01 0.26 0.52 -0.55 8.46 8.70 1mv5A1 ARG 477 HA 0.01 0.06 0.42 -0.75 4.34 4.07 1mv5A1 ARG 477 HB2 0.01 0.12 0.11 -0.04 1.90 2.10 1mv5A1 ARG 477 HB3 0.01 -0.02 0.20 -0.04 1.80 1.95 1mv5A1 ARG 477 HG2 0.01 -0.04 0.05 -0.04 1.67 1.64 1mv5A1 ARG 477 HG3 0.01 -0.01 -0.06 -0.04 1.67 1.56 1mv5A1 ARG 477 HD2 0.01 -0.01 0.03 -0.04 3.22 3.21 1mv5A1 ARG 477 HD3 0.01 0.04 0.06 -0.04 3.22 3.28 1mv5A1 GLY 478 H 0.01 0.73 -0.34 -0.55 8.43 8.28 1mv5A1 GLY 478 HA2 0.01 0.10 0.35 -0.51 4.01 3.96 1mv5A1 GLY 478 HA3 0.01 -0.11 -0.28 -0.51 4.01 3.12 1mv5A1 VAL 479 H 0.02 0.33 0.23 -0.55 8.24 8.28 1mv5A1 VAL 479 HA 0.02 0.14 0.31 -0.75 4.13 3.84 1mv5A1 VAL 479 HB 0.03 -0.08 0.06 -0.04 2.12 2.09 1mv5A1 VAL 479 HG13 0.04 0.03 0.14 -0.04 0.97 1.14 1mv5A1 VAL 479 HG23 0.03 0.13 0.09 -0.04 0.95 1.16 1mv5A1 LYS 480 H 0.02 0.19 0.20 -0.55 8.42 8.28 1mv5A1 LYS 480 HA 0.01 0.16 0.87 -0.75 4.32 4.60 1mv5A1 LYS 480 HB2 0.01 0.07 0.08 -0.04 1.87 1.99 1mv5A1 LYS 480 HB3 0.01 -0.00 0.17 -0.04 1.79 1.92 1mv5A1 LYS 480 HG2 -0.01 -0.03 -0.34 -0.04 1.46 1.04 1mv5A1 LYS 480 HG3 -0.00 0.03 -0.00 -0.04 1.46 1.44 1mv5A1 LYS 480 HD2 -0.00 0.04 -0.02 -0.04 1.69 1.67 1mv5A1 LYS 480 HD3 0.00 0.02 -0.02 -0.04 1.68 1.64 1mv5A1 LYS 480 HE2 -0.02 -0.05 -0.10 -0.04 2.99 2.78 1mv5A1 LYS 480 HE3 -0.01 -0.04 -0.14 -0.04 2.99 2.76 1mv5A1 ILE 481 H 0.00 0.27 0.08 -0.55 8.25 8.06 1mv5A1 ILE 481 HA -0.02 0.18 0.84 -0.75 4.18 4.42 1mv5A1 ILE 481 HB -0.00 -0.02 -0.11 -0.04 1.89 1.72 1mv5A1 ILE 481 HG12 0.02 -0.02 -0.10 -0.04 1.49 1.35 1mv5A1 ILE 481 HG13 0.01 -0.02 0.05 -0.04 1.21 1.21 1mv5A1 ILE 481 HG23 0.07 0.02 -0.18 -0.04 0.93 0.80 1mv5A1 ILE 481 HD13 0.04 0.00 -0.10 -0.04 0.88 0.78 1mv5A1 SER 482 H -0.09 0.19 0.09 -0.55 8.46 8.10 1mv5A1 SER 482 HA -0.03 0.13 0.59 -0.75 4.49 4.42 1mv5A1 SER 482 HB2 -0.05 -0.01 0.12 -0.04 3.95 3.97 1mv5A1 SER 482 HB3 -0.05 0.12 0.12 -0.04 3.93 4.07 1mv5A1 GLY 483 H -0.02 0.23 0.18 -0.55 8.43 8.27 1mv5A1 GLY 483 HA2 -0.01 0.13 0.41 -0.51 4.01 4.03 1mv5A1 GLY 483 HA3 -0.01 0.07 0.32 -0.51 4.01 3.88 1mv5A1 GLY 484 H -0.04 0.10 -0.30 -0.55 8.43 7.65 1mv5A1 GLY 484 HA2 -0.01 0.03 0.30 -0.51 4.01 3.82 1mv5A1 GLY 484 HA3 -0.04 0.05 0.26 -0.51 4.01 3.77 1mv5A1 GLN 485 H -0.12 0.45 -0.16 -0.55 8.47 8.10 1mv5A1 GLN 485 HA -0.16 0.09 0.42 -0.75 4.36 3.96 1mv5A1 GLN 485 HB2 -0.22 0.08 0.11 -0.04 2.15 2.08 1mv5A1 GLN 485 HB3 -0.46 0.04 0.02 -0.04 2.02 1.58 1mv5A1 GLN 485 HG2 -1.08 0.04 0.02 -0.04 2.40 1.35 1mv5A1 GLN 485 HG3 -0.39 -0.09 0.07 -0.04 2.39 1.93 1mv5A1 GLN 485 HE21 -0.24 0.08 0.05 -0.04 6.97 6.81 1mv5A1 GLN 485 HE22 -0.37 -0.02 0.03 -0.04 7.69 7.28 1mv5A1 ARG 486 H -0.01 0.31 -0.27 -0.55 8.46 7.93 1mv5A1 ARG 486 HA 0.06 0.04 0.20 -0.75 4.34 3.89 1mv5A1 ARG 486 HB2 0.02 -0.03 -0.02 -0.04 1.90 1.83 1mv5A1 ARG 486 HB3 0.02 0.14 0.12 -0.04 1.80 2.03 1mv5A1 ARG 486 HG2 0.04 0.02 -0.18 -0.04 1.67 1.51 1mv5A1 ARG 486 HG3 0.03 -0.03 -0.07 -0.04 1.67 1.56 1mv5A1 ARG 486 HD2 0.02 -0.04 -0.28 -0.04 3.22 2.88 1mv5A1 ARG 486 HD3 0.02 0.02 -0.08 -0.04 3.22 3.13 1mv5A1 GLN 487 H 0.03 0.38 -0.21 -0.55 8.47 8.13 1mv5A1 GLN 487 HA 0.05 0.08 0.36 -0.75 4.36 4.10 1mv5A1 GLN 487 HB2 0.03 0.09 0.10 -0.04 2.15 2.33 1mv5A1 GLN 487 HB3 0.03 0.00 0.01 -0.04 2.02 2.02 1mv5A1 GLN 487 HG2 0.03 -0.00 -0.06 -0.04 2.40 2.33 1mv5A1 GLN 487 HG3 0.02 0.21 0.04 -0.04 2.39 2.62 1mv5A1 GLN 487 HE21 0.01 -0.04 -0.10 -0.04 6.97 6.80 1mv5A1 GLN 487 HE22 0.01 0.00 -0.10 -0.04 7.69 7.57 1mv5A1 ARG 488 H 0.09 0.44 -0.11 -0.55 8.46 8.34 1mv5A1 ARG 488 HA 0.12 0.05 0.39 -0.75 4.34 4.14 1mv5A1 ARG 488 HB2 0.29 0.03 0.12 -0.04 1.90 2.31 1mv5A1 ARG 488 HB3 0.27 0.10 -0.02 -0.04 1.80 2.11 1mv5A1 ARG 488 HG2 0.12 0.09 0.11 -0.04 1.67 1.95 1mv5A1 ARG 488 HG3 0.09 -0.02 0.09 -0.04 1.67 1.80 1mv5A1 ARG 488 HD2 0.34 -0.06 -0.00 -0.04 3.22 3.46 1mv5A1 ARG 488 HD3 0.30 0.26 0.08 -0.04 3.22 3.81 1mv5A1 LEU 489 H 0.14 0.37 -0.55 -0.55 8.37 7.79 1mv5A1 LEU 489 HA 0.09 0.05 0.45 -0.75 4.35 4.18 1mv5A1 LEU 489 HB2 0.10 0.17 0.07 -0.04 1.64 1.94 1mv5A1 LEU 489 HB3 0.06 -0.04 0.01 -0.04 1.64 1.64 1mv5A1 LEU 489 HG 0.36 0.19 -0.06 -0.04 1.64 2.08 1mv5A1 LEU 489 HD13 0.15 -0.03 -0.12 -0.04 0.93 0.89 1mv5A1 LEU 489 HD23 -0.01 -0.01 -0.12 -0.04 0.89 0.71 1mv5A1 ALA 490 H 0.08 0.31 -0.33 -0.55 8.40 7.91 1mv5A1 ALA 490 HA 0.05 0.08 0.52 -0.75 4.34 4.23 1mv5A1 ALA 490 HB3 0.05 0.05 0.16 -0.04 1.41 1.63 1mv5A1 ILE 491 H 0.08 0.48 -0.05 -0.55 8.25 8.20 1mv5A1 ILE 491 HA -0.00 0.03 0.28 -0.75 4.18 3.72 1mv5A1 ILE 491 HB 0.15 0.15 0.14 -0.04 1.89 2.29 1mv5A1 ILE 491 HG12 -0.00 -0.02 -0.05 -0.04 1.49 1.38 1mv5A1 ILE 491 HG13 0.04 0.08 0.05 -0.04 1.21 1.33 1mv5A1 ILE 491 HG23 0.14 -0.01 -0.04 -0.04 0.93 0.98 1mv5A1 ILE 491 HD13 0.04 -0.06 -0.13 -0.04 0.88 0.70 1mv5A1 ALA 492 H 0.12 0.16 -0.69 -0.55 8.40 7.44 1mv5A1 ALA 492 HA 0.26 0.05 0.25 -0.75 4.34 4.15 1mv5A1 ALA 492 HB3 0.05 0.07 0.01 -0.04 1.41 1.50 1mv5A1 ARG 493 H 0.05 0.39 -0.17 -0.55 8.46 8.18 1mv5A1 ARG 493 HA 0.02 0.03 0.34 -0.75 4.34 3.97 1mv5A1 ARG 493 HB2 0.03 0.03 0.14 -0.04 1.90 2.05 1mv5A1 ARG 493 HB3 0.02 0.09 0.14 -0.04 1.80 2.02 1mv5A1 ARG 493 HG2 0.01 -0.02 -0.03 -0.04 1.67 1.59 1mv5A1 ARG 493 HG3 0.01 0.02 0.03 -0.04 1.67 1.69 1mv5A1 ARG 493 HD2 0.05 0.13 0.07 -0.04 3.22 3.43 1mv5A1 ARG 493 HD3 0.02 -0.01 0.03 -0.04 3.22 3.22 1mv5A1 ALA 494 H 0.03 0.45 -0.40 -0.55 8.40 7.92 1mv5A1 ALA 494 HA -0.04 0.01 0.27 -0.75 4.34 3.82 1mv5A1 ALA 494 HB3 -0.12 0.09 0.09 -0.04 1.41 1.43 1mv5A1 PHE 495 H 0.09 0.57 0.00 -0.55 8.34 8.45 1mv5A1 PHE 495 HA -0.00 0.02 0.20 -0.75 4.62 4.08 1mv5A1 PHE 495 HB2 0.01 0.12 0.18 -0.04 3.15 3.42 1mv5A1 PHE 495 HB3 0.01 -0.09 -0.04 -0.04 3.06 2.90 1mv5A1 PHE 495 HD2 0.02 0.03 -0.08 -0.04 7.28 7.21 1mv5A1 PHE 495 HE2 0.03 0.03 -0.13 -0.04 7.38 7.27 1mv5A1 PHE 495 HZ 0.04 -0.10 -0.33 -0.04 7.32 6.88 1mv5A1 LEU 496 H 0.11 0.38 -0.44 -0.55 8.37 7.88 1mv5A1 LEU 496 HA 0.05 0.05 0.71 -0.75 4.35 4.40 1mv5A1 LEU 496 HB2 0.02 -0.07 0.08 -0.04 1.64 1.62 1mv5A1 LEU 496 HB3 0.00 0.16 0.15 -0.04 1.64 1.92 1mv5A1 LEU 496 HG -0.04 -0.00 0.07 -0.04 1.64 1.63 1mv5A1 LEU 496 HD13 -0.04 -0.07 0.00 -0.04 0.93 0.78 1mv5A1 LEU 496 HD23 -0.08 -0.05 0.07 -0.04 0.89 0.78 1mv5A1 ARG 497 H 0.01 0.75 0.22 -0.55 8.46 8.88 1mv5A1 ARG 497 HA -0.02 -0.12 0.45 -0.75 4.34 3.89 1mv5A1 ARG 497 HB2 -0.02 -0.02 0.11 -0.04 1.90 1.92 1mv5A1 ARG 497 HB3 -0.04 0.07 0.10 -0.04 1.80 1.89 1mv5A1 ARG 497 HG2 -0.05 0.08 0.03 -0.04 1.67 1.69 1mv5A1 ARG 497 HG3 -0.04 -0.17 0.05 -0.04 1.67 1.48 1mv5A1 ARG 497 HD2 -0.05 -0.13 -0.00 -0.04 3.22 3.01 1mv5A1 ARG 497 HD3 -0.07 0.06 -0.00 -0.04 3.22 3.17 1mv5A1 ASN 498 H 0.00 0.31 -0.43 -0.55 8.53 7.87 1mv5A1 ASN 498 HA -0.02 -0.00 0.15 -0.75 4.76 4.13 1mv5A1 ASN 498 HB2 0.03 0.07 -0.14 -0.04 2.88 2.80 1mv5A1 ASN 498 HB3 0.00 0.00 0.05 -0.04 2.79 2.80 1mv5A1 ASN 498 HD21 0.03 -0.07 -0.02 -0.04 7.03 6.93 1mv5A1 ASN 498 HD22 0.03 -0.05 -0.00 -0.04 7.74 7.67 1mv5A1 PRO 499 HA -0.09 0.17 0.31 -0.51 4.44 4.32 1mv5A1 PRO 499 HB2 -0.11 0.01 -0.23 -0.04 2.28 1.90 1mv5A1 PRO 499 HB3 -0.14 0.00 -0.63 -0.04 2.02 1.21 1mv5A1 PRO 499 HG2 -0.10 -0.17 -0.17 -0.04 2.03 1.55 1mv5A1 PRO 499 HG3 -0.09 0.15 -0.35 -0.04 2.03 1.69 1mv5A1 PRO 499 HD2 -0.11 0.02 -0.07 -0.04 3.68 3.48 1mv5A1 PRO 499 HD3 -0.07 0.18 -0.07 -0.04 3.65 3.64 1mv5A1 LYS 500 H -0.10 0.31 0.36 -0.55 8.42 8.44 1mv5A1 LYS 500 HA -0.03 0.10 0.65 -0.75 4.32 4.28 1mv5A1 LYS 500 HB2 -0.05 -0.01 0.19 -0.04 1.87 1.95 1mv5A1 LYS 500 HB3 -0.00 -0.06 0.11 -0.04 1.79 1.80 1mv5A1 LYS 500 HG2 -0.01 0.05 0.03 -0.04 1.46 1.48 1mv5A1 LYS 500 HG3 -0.04 0.08 0.18 -0.04 1.46 1.63 1mv5A1 LYS 500 HD2 0.02 -0.04 0.06 -0.04 1.69 1.68 1mv5A1 LYS 500 HD3 0.02 -0.04 0.04 -0.04 1.68 1.67 1mv5A1 LYS 500 HE2 0.01 0.02 0.03 -0.04 2.99 3.01 1mv5A1 LYS 500 HE3 0.01 0.04 0.03 -0.04 2.99 3.03 1mv5A1 ILE 501 H -0.13 0.69 0.29 -0.55 8.25 8.56 1mv5A1 ILE 501 HA -0.03 0.12 0.99 -0.75 4.18 4.51 1mv5A1 ILE 501 HB -0.16 -0.04 0.03 -0.04 1.89 1.67 1mv5A1 ILE 501 HG12 0.06 0.04 -0.06 -0.04 1.49 1.48 1mv5A1 ILE 501 HG13 -0.01 -0.08 -0.36 -0.04 1.21 0.72 1mv5A1 ILE 501 HG23 -0.01 0.00 -0.12 -0.04 0.93 0.76 1mv5A1 ILE 501 HD13 0.07 -0.01 -0.09 -0.04 0.88 0.81 1mv5A1 LEU 502 H -0.06 0.85 0.34 -0.55 8.37 8.95 1mv5A1 LEU 502 HA -0.13 0.22 1.01 -0.75 4.35 4.69 1mv5A1 LEU 502 HB2 -0.11 0.11 -0.27 -0.04 1.64 1.33 1mv5A1 LEU 502 HB3 -0.08 -0.03 -0.08 -0.04 1.64 1.41 1mv5A1 LEU 502 HG -0.12 -0.10 -0.36 -0.04 1.64 1.01 1mv5A1 LEU 502 HD13 -0.13 0.01 -0.11 -0.04 0.93 0.65 1mv5A1 LEU 502 HD23 -0.12 0.02 -0.25 -0.04 0.89 0.50 1mv5A1 MET 503 H -0.21 0.52 0.36 -0.55 8.47 8.58 1mv5A1 MET 503 HA -0.36 0.28 1.11 -0.75 4.52 4.79 1mv5A1 MET 503 HB2 -0.61 -0.05 0.10 -0.04 2.15 1.55 1mv5A1 MET 503 HB3 -1.70 -0.02 0.02 -0.04 2.03 0.28 1mv5A1 MET 503 HG2 -0.36 0.09 -0.25 -0.04 2.63 2.07 1mv5A1 MET 503 HG3 -0.27 0.02 -0.24 -0.04 2.56 2.03 1mv5A1 MET 503 HE3 -0.05 0.01 -0.17 -0.04 2.10 1.85 1mv5A1 LEU 504 H -0.22 0.56 0.45 -0.55 8.37 8.62 1mv5A1 LEU 504 HA -0.36 0.28 1.03 -0.75 4.35 4.54 1mv5A1 LEU 504 HB2 -0.05 -0.09 0.01 -0.04 1.64 1.46 1mv5A1 LEU 504 HB3 -0.09 -0.03 0.15 -0.04 1.64 1.63 1mv5A1 LEU 504 HG -0.11 0.02 -0.22 -0.04 1.64 1.29 1mv5A1 LEU 504 HD13 -0.04 -0.01 -0.10 -0.04 0.93 0.73 1mv5A1 LEU 504 HD23 -0.11 0.02 -0.11 -0.04 0.89 0.65 1mv5A1 ASP 505 H -0.09 0.35 0.24 -0.55 8.40 8.35 1mv5A1 ASP 505 HA 0.07 0.09 0.65 -0.75 4.63 4.70 1mv5A1 ASP 505 HB2 -0.03 0.14 -0.25 -0.04 2.71 2.52 1mv5A1 ASP 505 HB3 -0.04 -0.05 -0.07 -0.04 2.70 2.50 1mv5A1 GLU 506 H 0.22 0.37 0.20 -0.55 8.60 8.85 1mv5A1 GLU 506 HA 0.04 0.13 1.17 -0.75 4.29 4.87 1mv5A1 GLU 506 HB2 0.06 0.13 -0.11 -0.04 2.09 2.13 1mv5A1 GLU 506 HB3 0.06 -0.02 0.03 -0.04 1.99 2.02 1mv5A1 GLU 506 HG2 0.25 0.13 0.23 -0.04 2.34 2.90 1mv5A1 GLU 506 HG3 0.27 0.05 0.03 -0.04 2.34 2.66 1mv5A1 ALA 507 H 0.01 0.07 0.16 -0.55 8.40 8.09 1mv5A1 ALA 507 HA -0.13 0.21 0.86 -0.75 4.34 4.53 1mv5A1 ALA 507 HB3 -0.01 0.02 0.08 -0.04 1.41 1.46 1mv5A1 THR 508 H -0.01 0.06 0.15 -0.55 8.28 7.93 1mv5A1 THR 508 HA -0.02 0.13 0.53 -0.75 4.39 4.28 1mv5A1 ALA 509 H -0.01 0.13 0.11 -0.55 8.40 8.08 1mv5A1 ALA 509 HA 0.00 0.15 0.27 -0.75 4.34 4.00 1mv5A1 ALA 509 HB3 -0.00 0.01 0.09 -0.04 1.41 1.47 1mv5A1 SER 510 H -0.00 0.06 -0.11 -0.55 8.46 7.86 1mv5A1 SER 510 HA -0.00 0.02 0.27 -0.75 4.49 4.02 1mv5A1 LEU 511 H 0.00 0.17 0.22 -0.55 8.37 8.22 1mv5A1 LEU 511 HA 0.00 -0.01 0.52 -0.75 4.35 4.11 1mv5A1 ASP 512 H 0.00 0.17 0.18 -0.55 8.40 8.21 1mv5A1 ASP 512 HA 0.01 0.30 0.58 -0.75 4.63 4.76 1mv5A1 SER 513 H 0.00 0.06 -0.50 -0.55 8.46 7.47 1mv5A1 SER 513 HA 0.00 0.06 0.27 -0.75 4.49 4.07 1mv5A1 GLU 514 H -0.00 0.11 -0.39 -0.55 8.60 7.77 1mv5A1 GLU 514 HA -0.01 0.27 0.81 -0.75 4.29 4.62 1mv5A1 SER 515 H -0.00 -0.20 0.04 -0.55 8.46 7.75 1mv5A1 SER 515 HA -0.00 0.19 0.29 -0.75 4.49 4.21 1mv5A1 GLU 516 H -0.00 -0.13 -0.50 -0.55 8.60 7.42 1mv5A1 GLU 516 HA -0.00 -0.14 0.28 -0.75 4.29 3.67 1mv5A1 GLU 516 HB2 -0.00 0.15 -0.12 -0.04 2.09 2.08 1mv5A1 GLU 516 HB3 -0.00 0.01 -0.10 -0.04 1.99 1.85 1mv5A1 GLU 516 HG2 -0.01 -0.05 -0.11 -0.04 2.34 2.13 1mv5A1 GLU 516 HG3 -0.00 0.03 -0.31 -0.04 2.34 2.01 1mv5A1 SER 517 H -0.01 0.05 0.12 -0.55 8.46 8.07 1mv5A1 SER 517 HA 0.00 0.41 1.04 -0.75 4.49 5.18 1mv5A1 SER 517 HB2 0.00 -0.07 0.13 -0.04 3.95 3.98 1mv5A1 SER 517 HB3 -0.00 0.20 -0.23 -0.04 3.93 3.85 1mv5A1 MET 518 H 0.01 0.25 0.17 -0.55 8.47 8.36 1mv5A1 MET 518 HA -0.03 0.13 0.44 -0.75 4.52 4.32 1mv5A1 MET 518 HB2 0.06 -0.00 0.08 -0.04 2.15 2.24 1mv5A1 MET 518 HB3 0.10 0.13 0.13 -0.04 2.03 2.35 1mv5A1 MET 518 HG2 0.07 0.06 0.04 -0.04 2.63 2.76 1mv5A1 MET 518 HG3 0.04 -0.04 0.12 -0.04 2.56 2.64 1mv5A1 MET 518 HE3 0.04 -0.01 0.02 -0.04 2.10 2.11 1mv5A1 VAL 519 H -0.00 0.01 -0.27 -0.55 8.24 7.42 1mv5A1 VAL 519 HA 0.01 0.25 0.49 -0.75 4.13 4.13 1mv5A1 VAL 519 HB -0.00 -0.06 -0.00 -0.04 2.12 2.01 1mv5A1 VAL 519 HG13 0.01 0.02 -0.05 -0.04 0.97 0.91 1mv5A1 VAL 519 HG23 0.01 0.02 0.06 -0.04 0.95 1.00 1mv5A1 GLN 520 H -0.03 0.12 -0.26 -0.55 8.47 7.76 1mv5A1 GLN 520 HA -0.03 0.11 0.49 -0.75 4.36 4.18 1mv5A1 GLN 520 HB2 -0.02 0.28 0.22 -0.04 2.15 2.58 1mv5A1 GLN 520 HB3 -0.03 0.07 -0.00 -0.04 2.02 2.02 1mv5A1 GLN 520 HG2 -0.01 0.01 -0.01 -0.04 2.40 2.34 1mv5A1 GLN 520 HG3 -0.01 -0.23 0.09 -0.04 2.39 2.20 1mv5A1 GLN 520 HE21 -0.00 0.06 -0.02 -0.04 6.97 6.96 1mv5A1 GLN 520 HE22 -0.01 -0.18 0.00 -0.04 7.69 7.46 1mv5A1 LYS 521 H -0.10 0.23 -0.17 -0.55 8.42 7.83 1mv5A1 LYS 521 HA -0.12 0.08 0.46 -0.75 4.32 3.98 1mv5A1 LYS 521 HB2 -0.11 -0.05 0.07 -0.04 1.87 1.75 1mv5A1 LYS 521 HB3 -0.41 0.15 0.03 -0.04 1.79 1.52 1mv5A1 LYS 521 HG2 -0.18 0.06 0.02 -0.04 1.46 1.32 1mv5A1 LYS 521 HG3 -0.06 -0.01 0.03 -0.04 1.46 1.38 1mv5A1 LYS 521 HD2 0.02 -0.02 -0.05 -0.04 1.69 1.60 1mv5A1 LYS 521 HD3 0.04 -0.02 -0.02 -0.04 1.68 1.64 1mv5A1 LYS 521 HE2 0.23 0.04 -0.02 -0.04 2.99 3.20 1mv5A1 LYS 521 HE3 0.08 0.01 -0.02 -0.04 2.99 3.02 1mv5A1 ALA 522 H -0.16 0.10 -0.65 -0.55 8.40 7.14 1mv5A1 ALA 522 HA -0.20 0.22 0.49 -0.75 4.34 4.09 1mv5A1 ALA 522 HB3 -0.01 0.07 0.16 -0.04 1.41 1.59 1mv5A1 LEU 523 H -0.06 0.10 -0.38 -0.55 8.37 7.49 1mv5A1 LEU 523 HA -0.05 0.10 0.48 -0.75 4.35 4.12 1mv5A1 LEU 523 HB2 -0.04 0.14 0.26 -0.04 1.64 1.96 1mv5A1 LEU 523 HB3 -0.03 -0.02 0.01 -0.04 1.64 1.56 1mv5A1 LEU 523 HG -0.02 0.21 0.05 -0.04 1.64 1.83 1mv5A1 LEU 523 HD13 -0.02 -0.05 -0.04 -0.04 0.93 0.78 1mv5A1 LEU 523 HD23 -0.04 0.00 -0.03 -0.04 0.89 0.78 1mv5A1 ASP 524 H -0.05 0.47 -0.09 -0.55 8.40 8.18 1mv5A1 ASP 524 HA -0.01 0.02 0.20 -0.75 4.63 4.08 1mv5A1 ASP 524 HB2 -0.04 0.11 0.07 -0.04 2.71 2.81 1mv5A1 ASP 524 HB3 -0.01 0.01 0.03 -0.04 2.70 2.68 1mv5A1 SER 525 H 0.01 0.15 -0.69 -0.55 8.46 7.38 1mv5A1 SER 525 HA 0.11 0.06 0.52 -0.75 4.49 4.43 1mv5A1 SER 525 HB2 0.06 0.08 0.14 -0.04 3.95 4.18 1mv5A1 SER 525 HB3 0.32 0.13 0.11 -0.04 3.93 4.45 1mv5A1 LEU 526 H 0.02 0.26 -0.27 -0.55 8.37 7.84 1mv5A1 LEU 526 HA -0.51 0.06 0.31 -0.75 4.35 3.45 1mv5A1 LEU 526 HB2 -0.39 0.12 0.17 -0.04 1.64 1.49 1mv5A1 LEU 526 HB3 -0.19 -0.00 0.15 -0.04 1.64 1.57 1mv5A1 LEU 526 HG -0.31 0.01 -0.11 -0.04 1.64 1.18 1mv5A1 LEU 526 HD13 -1.01 0.01 0.00 -0.04 0.93 -0.11 1mv5A1 LEU 526 HD23 -0.19 -0.04 -0.03 -0.04 0.89 0.59 1mv5A1 MET 527 H -0.04 0.37 -0.34 -0.55 8.47 7.91 1mv5A1 MET 527 HA -0.06 0.06 0.27 -0.75 4.52 4.04 1mv5A1 MET 527 HB2 -0.02 0.06 -0.09 -0.04 2.15 2.07 1mv5A1 MET 527 HB3 -0.02 -0.02 -0.10 -0.04 2.03 1.85 1mv5A1 MET 527 HG2 -0.06 -0.04 -0.14 -0.04 2.63 2.35 1mv5A1 MET 527 HG3 -0.05 0.36 -0.10 -0.04 2.56 2.74 1mv5A1 MET 527 HE3 -0.02 -0.02 -0.22 -0.04 2.10 1.80 1mv5A1 LYS 528 H 0.01 0.27 -0.44 -0.55 8.42 7.71 1mv5A1 LYS 528 HA 0.02 0.03 0.24 -0.75 4.32 3.85 1mv5A1 LYS 528 HB2 0.07 0.19 0.15 -0.04 1.87 2.24 1mv5A1 LYS 528 HB3 0.05 -0.05 0.01 -0.04 1.79 1.75 1mv5A1 LYS 528 HG2 0.03 -0.06 0.03 -0.04 1.46 1.41 1mv5A1 LYS 528 HG3 0.04 0.36 0.16 -0.04 1.46 1.98 1mv5A1 LYS 528 HD2 0.04 -0.06 0.01 -0.04 1.69 1.63 1mv5A1 LYS 528 HD3 0.05 -0.01 0.03 -0.04 1.68 1.71 1mv5A1 LYS 528 HE2 0.04 0.03 0.00 -0.04 2.99 3.01 1mv5A1 LYS 528 HE3 0.03 -0.00 0.01 -0.04 2.99 2.99 1mv5A1 GLY 529 H 0.02 0.20 -0.14 -0.55 8.43 7.97 1mv5A1 GLY 529 HA2 0.02 0.12 0.55 -0.51 4.01 4.19 1mv5A1 GLY 529 HA3 0.03 -0.02 0.35 -0.51 4.01 3.86 1mv5A1 ARG 530 H -0.01 0.29 -0.39 -0.55 8.46 7.80 1mv5A1 ARG 530 HA 0.00 0.22 1.12 -0.75 4.34 4.93 1mv5A1 ARG 530 HB2 -0.03 -0.19 -0.02 -0.04 1.90 1.62 1mv5A1 ARG 530 HB3 -0.03 0.16 -0.18 -0.04 1.80 1.71 1mv5A1 ARG 530 HG2 -0.05 0.00 -0.12 -0.04 1.67 1.46 1mv5A1 ARG 530 HG3 -0.08 -0.06 -0.28 -0.04 1.67 1.21 1mv5A1 ARG 530 HD2 -0.03 -0.33 -0.19 -0.04 3.22 2.62 1mv5A1 ARG 530 HD3 -0.09 0.53 0.04 -0.04 3.22 3.66 1mv5A1 THR 531 H -0.01 0.31 0.15 -0.55 8.28 8.19 1mv5A1 THR 531 HA 0.03 0.20 0.87 -0.75 4.39 4.74 1mv5A1 THR 531 HB 0.03 -0.08 0.26 -0.04 4.32 4.49 1mv5A1 THR 531 HG23 0.08 0.02 -0.28 -0.04 1.22 1.01 1mv5A1 THR 532 H 0.02 0.67 0.22 -0.55 8.28 8.64 1mv5A1 THR 532 HA -0.02 0.35 0.98 -0.75 4.39 4.95 1mv5A1 THR 532 HB 0.01 -0.08 0.19 -0.04 4.32 4.40 1mv5A1 THR 532 HG23 -0.03 -0.04 -0.16 -0.04 1.22 0.95 1mv5A1 LEU 533 H -0.02 0.53 0.40 -0.55 8.37 8.74 1mv5A1 LEU 533 HA 0.22 0.23 0.81 -0.75 4.35 4.86 1mv5A1 LEU 533 HB2 0.01 -0.02 0.20 -0.04 1.64 1.79 1mv5A1 LEU 533 HB3 0.44 -0.05 0.04 -0.04 1.64 2.03 1mv5A1 LEU 533 HG 0.22 0.06 -0.11 -0.04 1.64 1.77 1mv5A1 LEU 533 HD13 0.07 0.00 -0.27 -0.04 0.93 0.69 1mv5A1 LEU 533 HD23 0.27 -0.02 -0.13 -0.04 0.89 0.97 1mv5A1 VAL 534 H 0.25 0.60 0.22 -0.55 8.24 8.75 1mv5A1 VAL 534 HA 0.14 0.18 1.04 -0.75 4.13 4.74 1mv5A1 VAL 534 HB 0.07 -0.04 -0.08 -0.04 2.12 2.04 1mv5A1 VAL 534 HG13 0.04 -0.04 -0.49 -0.04 0.97 0.44 1mv5A1 VAL 534 HG23 0.02 -0.00 -0.27 -0.04 0.95 0.65 1mv5A1 ILE 535 H 0.15 0.43 0.11 -0.55 8.25 8.39 1mv5A1 ILE 535 HA -0.03 0.19 0.77 -0.75 4.18 4.36 1mv5A1 ILE 535 HB 0.06 -0.04 0.30 -0.04 1.89 2.17 1mv5A1 ILE 535 HG12 -0.36 0.00 -0.02 -0.04 1.49 1.07 1mv5A1 ILE 535 HG13 -0.52 0.04 -0.05 -0.04 1.21 0.64 1mv5A1 ILE 535 HG23 -0.06 -0.00 -0.05 -0.04 0.93 0.77 1mv5A1 ILE 535 HD13 -0.25 0.03 -0.21 -0.04 0.88 0.41 1mv5A1 ALA 536 H -0.03 0.28 0.21 -0.55 8.40 8.31 1mv5A1 ALA 536 HA -0.01 -0.04 0.54 -0.75 4.34 4.07 1mv5A1 ALA 536 HB3 0.02 0.01 -0.08 -0.04 1.41 1.32 1mv5A1 HIS 537 H 0.08 -0.18 0.24 -0.55 8.41 8.00 1mv5A1 HIS 537 HA 0.09 0.16 0.61 -0.75 4.63 4.73 1mv5A1 HIS 537 HB2 0.04 -0.04 0.02 -0.04 3.26 3.23 1mv5A1 HIS 537 HB3 0.04 0.05 0.08 -0.04 3.20 3.33 1mv5A1 HIS 537 HD2 0.03 -0.15 0.06 -0.04 6.97 6.87 1mv5A1 HIS 537 HE1 0.06 -0.08 -0.00 -0.04 7.75 7.68 1mv5A1 ARG 538 H 0.08 -0.15 0.17 -0.55 8.46 8.00 1mv5A1 ARG 538 HA 0.04 0.34 0.73 -0.75 4.34 4.69 1mv5A1 ARG 538 HB2 0.03 -0.05 0.17 -0.04 1.90 2.01 1mv5A1 ARG 538 HB3 0.01 -0.17 -0.02 -0.04 1.80 1.59 1mv5A1 ARG 538 HG2 0.02 -0.08 -0.22 -0.04 1.67 1.35 1mv5A1 ARG 538 HG3 0.05 0.09 -0.05 -0.04 1.67 1.72 1mv5A1 ARG 538 HD2 0.02 -0.05 0.02 -0.04 3.22 3.17 1mv5A1 ARG 538 HD3 0.01 -0.22 -0.02 -0.04 3.22 2.95 1mv5A1 LEU 539 H 0.01 0.40 0.12 -0.55 8.37 8.35 1mv5A1 LEU 539 HA -0.01 0.07 0.29 -0.75 4.35 3.94 1mv5A1 LEU 539 HB2 -0.01 0.16 0.10 -0.04 1.64 1.85 1mv5A1 LEU 539 HB3 -0.02 -0.03 0.11 -0.04 1.64 1.66 1mv5A1 LEU 539 HG -0.05 -0.04 -0.12 -0.04 1.64 1.38 1mv5A1 LEU 539 HD13 -0.02 0.01 -0.00 -0.04 0.93 0.88 1mv5A1 LEU 539 HD23 -0.02 0.02 0.00 -0.04 0.89 0.85 1mv5A1 SER 540 H -0.02 0.09 -0.22 -0.55 8.46 7.77 1mv5A1 SER 540 HA -0.06 0.10 0.38 -0.75 4.49 4.16 1mv5A1 SER 540 HB2 -0.02 0.05 -0.05 -0.04 3.95 3.89 1mv5A1 SER 540 HB3 -0.02 0.10 0.02 -0.04 3.93 3.99 1mv5A1 THR 541 H -0.01 0.15 -0.28 -0.55 8.28 7.59 1mv5A1 THR 541 HA -0.01 0.10 0.47 -0.75 4.39 4.19 1mv5A1 THR 541 HB 0.01 0.20 0.18 -0.04 4.32 4.67 1mv5A1 THR 541 HG23 0.01 0.00 -0.07 -0.04 1.22 1.13 1mv5A1 ILE 542 H -0.04 0.26 -0.43 -0.55 8.25 7.50 1mv5A1 ILE 542 HA -0.00 0.04 0.17 -0.75 4.18 3.64 1mv5A1 ILE 542 HB -0.14 0.18 0.06 -0.04 1.89 1.95 1mv5A1 ILE 542 HG12 0.06 -0.07 -0.18 -0.04 1.49 1.26 1mv5A1 ILE 542 HG13 0.02 0.14 -0.09 -0.04 1.21 1.23 1mv5A1 ILE 542 HG23 0.15 -0.02 -0.15 -0.04 0.93 0.87 1mv5A1 ILE 542 HD13 0.15 -0.00 -0.21 -0.04 0.88 0.78 1mv5A1 VAL 543 H -0.17 0.27 -0.02 -0.55 8.24 7.77 1mv5A1 VAL 543 HA -0.23 -0.04 0.44 -0.75 4.13 3.55 1mv5A1 VAL 543 HB -0.09 0.08 0.12 -0.04 2.12 2.19 1mv5A1 VAL 543 HG13 -0.05 -0.01 -0.04 -0.04 0.97 0.82 1mv5A1 VAL 543 HG23 -0.28 0.06 0.08 -0.04 0.95 0.77 1mv5A1 ASP 544 H -0.05 0.29 -0.33 -0.55 8.40 7.77 1mv5A1 ASP 544 HA -0.02 0.10 0.48 -0.75 4.63 4.44 1mv5A1 ASP 544 HB2 -0.02 0.03 -0.05 -0.04 2.71 2.64 1mv5A1 ASP 544 HB3 -0.01 -0.01 0.05 -0.04 2.70 2.69 1mv5A1 ALA 545 H -0.02 0.18 -0.41 -0.55 8.40 7.60 1mv5A1 ALA 545 HA -0.01 0.01 0.41 -0.75 4.34 3.99 1mv5A1 ALA 545 HB3 -0.01 0.03 0.07 -0.04 1.41 1.45 1mv5A1 ASP 546 H -0.00 0.21 0.36 -0.55 8.40 8.42 1mv5A1 ASP 546 HA -0.01 0.06 0.51 -0.75 4.63 4.44 1mv5A1 ASP 546 HB2 0.01 0.02 0.21 -0.04 2.71 2.91 1mv5A1 ASP 546 HB3 0.00 -0.01 0.23 -0.04 2.70 2.88 1mv5A1 LYS 547 H -0.04 0.12 -0.51 -0.55 8.42 7.43 1mv5A1 LYS 547 HA -0.12 -0.07 0.26 -0.75 4.32 3.63 1mv5A1 LYS 547 HB2 -0.04 0.10 -0.21 -0.04 1.87 1.68 1mv5A1 LYS 547 HB3 -0.07 -0.02 0.00 -0.04 1.79 1.66 1mv5A1 LYS 547 HG2 -0.46 0.09 -0.07 -0.04 1.46 0.98 1mv5A1 LYS 547 HG3 -0.16 -0.09 0.16 -0.04 1.46 1.33 1mv5A1 LYS 547 HD2 -0.01 -0.02 0.04 -0.04 1.69 1.66 1mv5A1 LYS 547 HD3 0.06 0.03 0.01 -0.04 1.68 1.74 1mv5A1 LYS 547 HE2 -0.21 0.25 0.14 -0.04 2.99 3.13 1mv5A1 LYS 547 HE3 -0.05 -0.07 0.10 -0.04 2.99 2.92 1mv5A1 ILE 548 H -0.24 0.27 -0.15 -0.55 8.25 7.59 1mv5A1 ILE 548 HA -0.21 0.29 1.01 -0.75 4.18 4.52 1mv5A1 ILE 548 HB -0.13 0.11 0.00 -0.04 1.89 1.83 1mv5A1 ILE 548 HG12 0.03 -0.08 -0.06 -0.04 1.49 1.34 1mv5A1 ILE 548 HG13 -0.05 0.03 -0.28 -0.04 1.21 0.87 1mv5A1 ILE 548 HG23 -0.10 -0.04 -0.28 -0.04 0.93 0.47 1mv5A1 ILE 548 HD13 0.09 0.07 -0.00 -0.04 0.88 0.99 1mv5A1 TYR 549 H -0.22 0.38 0.11 -0.55 8.29 8.02 1mv5A1 TYR 549 HA -0.20 0.39 0.96 -0.75 4.56 4.95 1mv5A1 TYR 549 HB2 -0.85 0.02 0.21 -0.04 3.06 2.39 1mv5A1 TYR 549 HB3 -0.28 -0.02 0.03 -0.04 2.98 2.67 1mv5A1 TYR 549 HD2 -0.42 0.06 -0.04 -0.04 7.15 6.72 1mv5A1 TYR 549 HE2 -0.07 0.07 0.05 -0.04 6.85 6.86 1mv5A1 PHE 550 H -0.09 0.35 0.12 -0.55 8.34 8.16 1mv5A1 PHE 550 HA -0.28 0.13 0.78 -0.75 4.62 4.50 1mv5A1 PHE 550 HB2 -0.69 0.03 0.06 -0.04 3.15 2.50 1mv5A1 PHE 550 HB3 -0.34 -0.41 0.28 -0.04 3.06 2.55 1mv5A1 PHE 550 HD2 -0.28 -0.05 -0.08 -0.04 7.28 6.83 1mv5A1 PHE 550 HE2 -0.53 -0.01 -0.15 -0.04 7.38 6.64 1mv5A1 PHE 550 HZ -0.19 0.04 -0.03 -0.04 7.32 7.10 1mv5A1 ILE 551 H -0.55 0.82 0.41 -0.55 8.25 8.38 1mv5A1 ILE 551 HA -0.24 0.36 1.26 -0.75 4.18 4.80 1mv5A1 ILE 551 HB -0.19 -0.06 0.04 -0.04 1.89 1.64 1mv5A1 ILE 551 HG12 -0.03 0.08 -0.43 -0.04 1.49 1.07 1mv5A1 ILE 551 HG13 -0.02 0.09 -0.23 -0.04 1.21 1.01 1mv5A1 ILE 551 HG23 -0.10 -0.03 -0.38 -0.04 0.93 0.37 1mv5A1 ILE 551 HD13 0.06 -0.01 -0.24 -0.04 0.88 0.65 1mv5A1 GLU 552 H -0.23 0.61 0.30 -0.55 8.60 8.73 1mv5A1 GLU 552 HA -0.26 0.05 0.83 -0.75 4.29 4.16 1mv5A1 GLU 552 HB2 -0.07 0.05 0.12 -0.04 2.09 2.15 1mv5A1 GLU 552 HB3 -0.04 0.06 -0.06 -0.04 1.99 1.91 1mv5A1 GLU 552 HG2 -0.02 0.01 0.03 -0.04 2.34 2.32 1mv5A1 GLU 552 HG3 -0.30 -0.06 -0.12 -0.04 2.34 1.82 1mv5A1 LYS 553 H -0.09 0.10 0.12 -0.55 8.42 8.00 1mv5A1 LYS 553 HA -0.04 0.08 0.37 -0.75 4.32 3.97 1mv5A1 LYS 553 HB2 -0.02 -0.06 0.11 -0.04 1.87 1.86 1mv5A1 LYS 553 HB3 -0.01 0.01 0.07 -0.04 1.79 1.81 1mv5A1 LYS 553 HG2 -0.01 0.08 0.06 -0.04 1.46 1.55 1mv5A1 LYS 553 HG3 -0.01 0.04 0.03 -0.04 1.46 1.48 1mv5A1 LYS 553 HD2 0.00 -0.03 0.02 -0.04 1.69 1.64 1mv5A1 LYS 553 HD3 0.00 -0.02 0.03 -0.04 1.68 1.64 1mv5A1 LYS 553 HE2 -0.00 0.03 0.03 -0.04 2.99 3.00 1mv5A1 LYS 553 HE3 -0.00 -0.00 0.01 -0.04 2.99 2.96 1mv5A1 GLY 554 H -0.05 0.09 -0.06 -0.55 8.43 7.87 1mv5A1 GLY 554 HA2 -0.01 0.08 0.44 -0.51 4.01 4.00 1mv5A1 GLY 554 HA3 -0.01 0.10 0.55 -0.51 4.01 4.14 1mv5A1 GLN 555 H -0.05 0.36 -0.06 -0.55 8.47 8.17 1mv5A1 GLN 555 HA 0.01 0.20 0.86 -0.75 4.36 4.68 1mv5A1 GLN 555 HB2 -0.00 0.06 -0.23 -0.04 2.15 1.94 1mv5A1 GLN 555 HB3 0.01 -0.08 -0.16 -0.04 2.02 1.75 1mv5A1 GLN 555 HG2 0.02 0.00 0.06 -0.04 2.40 2.44 1mv5A1 GLN 555 HG3 0.02 0.23 0.08 -0.04 2.39 2.67 1mv5A1 GLN 555 HE21 0.02 -0.07 -0.04 -0.04 6.97 6.84 1mv5A1 GLN 555 HE22 0.02 0.06 -0.03 -0.04 7.69 7.71 1mv5A1 ILE 556 H 0.03 0.26 0.16 -0.55 8.25 8.15 1mv5A1 ILE 556 HA -0.01 0.23 0.90 -0.75 4.18 4.55 1mv5A1 ILE 556 HB 0.07 0.01 0.21 -0.04 1.89 2.14 1mv5A1 ILE 556 HG12 0.07 -0.01 -0.18 -0.04 1.49 1.33 1mv5A1 ILE 556 HG13 0.06 -0.08 -0.14 -0.04 1.21 1.02 1mv5A1 ILE 556 HG23 0.14 0.01 -0.19 -0.04 0.93 0.84 1mv5A1 ILE 556 HD13 0.14 -0.01 -0.03 -0.04 0.88 0.94 1mv5A1 THR 557 H 0.01 0.49 0.36 -0.55 8.28 8.59 1mv5A1 THR 557 HA 0.11 0.11 0.63 -0.75 4.39 4.49 1mv5A1 THR 557 HB 0.32 -0.11 0.21 -0.04 4.32 4.71 1mv5A1 THR 557 HG23 0.28 -0.02 -0.05 -0.04 1.22 1.38 1mv5A1 GLY 558 H 0.01 0.02 0.24 -0.55 8.43 8.15 1mv5A1 GLY 558 HA2 -0.28 0.14 0.59 -0.51 4.01 3.94 1mv5A1 GLY 558 HA3 -0.43 -0.06 0.27 -0.51 4.01 3.29 1mv5A1 SER 559 H -0.17 -0.00 0.22 -0.55 8.46 7.96 1mv5A1 SER 559 HA -0.41 0.31 1.11 -0.75 4.49 4.74 1mv5A1 SER 559 HB2 -0.03 0.02 -0.16 -0.04 3.95 3.74 1mv5A1 SER 559 HB3 -0.07 -0.04 0.04 -0.04 3.93 3.83 1mv5A1 GLY 560 H -0.21 -0.05 0.15 -0.55 8.43 7.78 1mv5A1 GLY 560 HA2 -0.19 0.30 0.97 -0.51 4.01 4.58 1mv5A1 GLY 560 HA3 -0.10 -0.03 0.43 -0.51 4.01 3.80 1mv5A1 LYS 561 H -0.05 0.16 0.18 -0.55 8.42 8.16 1mv5A1 LYS 561 HA -0.02 0.16 0.47 -0.75 4.32 4.19 1mv5A1 LYS 561 HB2 0.00 -0.12 0.09 -0.04 1.87 1.80 1mv5A1 LYS 561 HB3 0.02 0.01 0.07 -0.04 1.79 1.86 1mv5A1 LYS 561 HG2 -0.01 0.20 0.01 -0.04 1.46 1.62 1mv5A1 LYS 561 HG3 -0.03 -0.03 0.13 -0.04 1.46 1.49 1mv5A1 LYS 561 HD2 -0.01 -0.09 0.07 -0.04 1.69 1.63 1mv5A1 LYS 561 HD3 0.00 0.00 0.05 -0.04 1.68 1.69 1mv5A1 LYS 561 HE2 -0.01 0.11 0.07 -0.04 2.99 3.12 1mv5A1 LYS 561 HE3 -0.01 0.02 0.08 -0.04 2.99 3.04 1mv5A1 HIS 562 H 0.14 0.33 0.15 -0.55 8.41 8.49 1mv5A1 HIS 562 HA 0.15 0.03 0.24 -0.75 4.63 4.30 1mv5A1 HIS 562 HB2 0.04 0.19 0.08 -0.04 3.26 3.53 1mv5A1 HIS 562 HB3 0.01 -0.06 0.10 -0.04 3.20 3.20 1mv5A1 HIS 562 HD2 -0.03 0.02 -0.15 -0.04 6.97 6.77 1mv5A1 HIS 562 HE1 -0.09 -0.01 -0.09 -0.04 7.75 7.52 1mv5A1 ASN 563 H 0.13 0.16 -0.07 -0.55 8.53 8.20 1mv5A1 ASN 563 HA 0.01 0.07 0.36 -0.75 4.76 4.45 1mv5A1 ASN 563 HB2 0.04 0.02 0.10 -0.04 2.88 3.00 1mv5A1 ASN 563 HB3 0.01 -0.01 0.05 -0.04 2.79 2.80 1mv5A1 ASN 563 HD21 0.01 0.02 -0.00 -0.04 7.03 7.02 1mv5A1 ASN 563 HD22 0.01 0.00 0.00 -0.04 7.74 7.72 1mv5A1 GLU 564 H 0.01 0.10 -0.26 -0.55 8.60 7.90 1mv5A1 GLU 564 HA -0.00 0.06 0.27 -0.75 4.29 3.87 1mv5A1 GLU 564 HB2 -0.00 0.06 0.13 -0.04 2.09 2.23 1mv5A1 GLU 564 HB3 0.01 0.02 0.00 -0.04 1.99 1.98 1mv5A1 GLU 564 HG2 0.00 0.04 0.03 -0.04 2.34 2.37 1mv5A1 GLU 564 HG3 0.00 -0.06 0.04 -0.04 2.34 2.28 1mv5A1 LEU 565 H 0.01 0.54 -0.05 -0.55 8.37 8.33 1mv5A1 LEU 565 HA 0.10 -0.04 0.25 -0.75 4.35 3.92 1mv5A1 LEU 565 HB2 0.14 0.14 0.02 -0.04 1.64 1.89 1mv5A1 LEU 565 HB3 0.26 -0.08 -0.10 -0.04 1.64 1.68 1mv5A1 LEU 565 HG -0.08 0.05 -0.17 -0.04 1.64 1.40 1mv5A1 LEU 565 HD13 -0.34 -0.00 -0.17 -0.04 0.93 0.38 1mv5A1 LEU 565 HD23 -0.34 -0.09 0.03 -0.04 0.89 0.45 1mv5A1 VAL 566 H -0.14 0.67 -0.27 -0.55 8.24 7.95 1mv5A1 VAL 566 HA -0.26 -0.06 0.35 -0.75 4.13 3.40 1mv5A1 VAL 566 HB -0.22 0.13 0.08 -0.04 2.12 2.07 1mv5A1 VAL 566 HG13 -0.21 -0.03 -0.05 -0.04 0.97 0.64 1mv5A1 VAL 566 HG23 -0.80 0.04 -0.04 -0.04 0.95 0.11 1mv5A1 ALA 567 H -0.04 0.43 -0.04 -0.55 8.40 8.20 1mv5A1 ALA 567 HA -0.04 0.05 0.43 -0.75 4.34 4.03 1mv5A1 ALA 567 HB3 -0.02 0.00 0.12 -0.04 1.41 1.47 1mv5A1 THR 568 H 0.04 0.36 -0.14 -0.55 8.28 7.99 1mv5A1 THR 568 HA -0.02 0.06 0.37 -0.75 4.39 4.04 1mv5A1 THR 568 HB 0.22 -0.01 0.02 -0.04 4.32 4.52 1mv5A1 THR 568 HG23 -0.03 -0.02 -0.03 -0.04 1.22 1.11 1mv5A1 HIS 569 H 0.17 0.59 -0.07 -0.55 8.41 8.55 1mv5A1 HIS 569 HA 0.00 0.28 1.05 -0.75 4.63 5.21 1mv5A1 HIS 569 HB2 0.07 0.08 0.15 -0.04 3.26 3.53 1mv5A1 HIS 569 HB3 0.01 -0.27 -0.02 -0.04 3.20 2.88 1mv5A1 HIS 569 HD2 0.00 0.00 -0.09 -0.04 6.97 6.84 1mv5A1 HIS 569 HE1 0.01 0.19 -0.17 -0.04 7.75 7.74 1mv5A1 PRO 570 HA -0.00 0.15 0.42 -0.51 4.44 4.49 1mv5A1 PRO 570 HB2 0.02 -0.02 0.13 -0.04 2.28 2.36 1mv5A1 PRO 570 HB3 0.00 0.05 0.10 -0.04 2.02 2.13 1mv5A1 PRO 570 HG2 -0.02 0.06 0.10 -0.04 2.03 2.13 1mv5A1 PRO 570 HG3 -0.02 0.11 0.05 -0.04 2.03 2.13 1mv5A1 PRO 570 HD2 -0.04 0.05 0.27 -0.04 3.68 3.92 1mv5A1 PRO 570 HD3 -0.06 0.45 0.19 -0.04 3.65 4.18 1mv5A1 LEU 571 H 0.08 0.19 -0.08 -0.55 8.37 8.02 1mv5A1 LEU 571 HA 0.09 0.13 0.42 -0.75 4.35 4.22 1mv5A1 LEU 571 HB2 0.17 0.01 0.01 -0.04 1.64 1.78 1mv5A1 LEU 571 HB3 0.20 0.02 0.02 -0.04 1.64 1.84 1mv5A1 LEU 571 HG 0.08 0.01 0.04 -0.04 1.64 1.73 1mv5A1 LEU 571 HD13 0.11 0.02 -0.00 -0.04 0.93 1.01 1mv5A1 LEU 571 HD23 0.07 0.01 -0.03 -0.04 0.89 0.89 1mv5A1 TYR 572 H 0.07 0.18 -0.36 -0.55 8.29 7.63 1mv5A1 TYR 572 HA -0.94 0.09 0.53 -0.75 4.56 3.49 1mv5A1 TYR 572 HB2 -0.72 -0.04 0.00 -0.04 3.06 2.26 1mv5A1 TYR 572 HB3 -0.25 0.20 0.04 -0.04 2.98 2.93 1mv5A1 TYR 572 HD2 -0.54 0.02 -0.15 -0.04 7.15 6.43 1mv5A1 TYR 572 HE2 -0.04 0.00 -0.14 -0.04 6.85 6.63 1mv5A1 ALA 573 H -0.09 0.64 0.02 -0.55 8.40 8.43 1mv5A1 ALA 573 HA -0.39 0.01 0.45 -0.75 4.34 3.67 1mv5A1 ALA 573 HB3 -0.12 0.09 0.16 -0.04 1.41 1.50 1mv5A1 LYS 574 H -0.01 0.46 -0.27 -0.55 8.42 8.05 1mv5A1 LYS 574 HA -0.01 0.03 0.34 -0.75 4.32 3.92 1mv5A1 LYS 574 HB2 0.05 0.06 0.15 -0.04 1.87 2.09 1mv5A1 LYS 574 HB3 0.04 -0.06 0.09 -0.04 1.79 1.83 1mv5A1 LYS 574 HG2 -0.00 -0.05 0.03 -0.04 1.46 1.40 1mv5A1 LYS 574 HG3 -0.01 0.06 0.05 -0.04 1.46 1.52 1mv5A1 LYS 574 HD2 0.03 0.01 -0.06 -0.04 1.69 1.62 1mv5A1 LYS 574 HD3 0.02 -0.04 0.01 -0.04 1.68 1.63 1mv5A1 LYS 574 HE2 0.00 -0.02 0.01 -0.04 2.99 2.94 1mv5A1 LYS 574 HE3 -0.00 0.02 0.02 -0.04 2.99 2.99 1mv5A1 TYR 575 H 0.14 0.24 -0.66 -0.55 8.29 7.46 1mv5A1 TYR 575 HA 0.10 -0.02 0.44 -0.75 4.56 4.34 1mv5A1 TYR 575 HB2 0.34 0.04 0.13 -0.04 3.06 3.53 1mv5A1 TYR 575 HB3 0.11 0.20 0.21 -0.04 2.98 3.46 1mv5A1 TYR 575 HD2 0.27 0.04 -0.08 -0.04 7.15 7.35 1mv5A1 TYR 575 HE2 0.20 0.03 -0.16 -0.04 6.85 6.89 1mv5A1 VAL 576 H -0.03 0.53 -0.17 -0.55 8.24 8.03 1mv5A1 VAL 576 HA -0.19 -0.06 0.34 -0.75 4.13 3.46 1mv5A1 VAL 576 HB -0.21 0.20 0.14 -0.04 2.12 2.21 1mv5A1 VAL 576 HG13 -0.04 -0.02 -0.09 -0.04 0.97 0.77 1mv5A1 VAL 576 HG23 -0.22 0.03 -0.03 -0.04 0.95 0.68 1mv5A1 SER 577 H -0.07 0.28 -0.45 -0.55 8.46 7.67 1mv5A1 SER 577 HA -0.06 0.07 0.54 -0.75 4.49 4.29 1mv5A1 SER 577 HB2 -0.03 -0.02 0.04 -0.04 3.95 3.90 1mv5A1 SER 577 HB3 -0.05 0.02 0.04 -0.04 3.93 3.90 1mv5A1 GLU 578 H -0.03 0.41 0.03 -0.55 8.60 8.47 1mv5A1 GLU 578 HA -0.02 -0.02 0.24 -0.75 4.29 3.74 1mv5A1 GLU 578 HB2 0.02 0.13 0.26 -0.04 2.09 2.46 1mv5A1 GLU 578 HB3 0.01 -0.02 0.11 -0.04 1.99 2.06 1mv5A1 GLU 578 HG2 0.01 -0.02 0.06 -0.04 2.34 2.35 1mv5A1 GLU 578 HG3 0.00 -0.04 0.11 -0.04 2.34 2.37 1mv5A1 GLN 579 H -0.09 0.18 0.08 -0.55 8.47 8.10 1mv5A1 GLN 579 HA -0.04 -0.01 0.35 -0.75 4.36 3.90 1mv5A1 GLN 579 HB2 -0.11 0.01 0.17 -0.04 2.15 2.18 1mv5A1 GLN 579 HB3 0.01 0.03 0.05 -0.04 2.02 2.07 1mv5A1 GLN 579 HG2 0.05 -0.04 0.07 -0.04 2.40 2.44 1mv5A1 GLN 579 HG3 0.11 -0.02 0.06 -0.04 2.39 2.50 1mv5A1 GLN 579 HE21 0.03 0.05 0.01 -0.04 6.97 7.02 1mv5A1 GLN 579 HE22 0.05 -0.03 0.02 -0.04 7.69 7.70 1mv5A1 LEU 580 H -0.48 0.30 -0.03 -0.55 8.37 7.62 1mv5A1 LEU 580 HA -0.10 0.03 0.15 -0.75 4.35 3.67 1mv5A1 LEU 580 HB2 -0.48 -0.07 -0.00 -0.04 1.64 1.05 1mv5A1 LEU 580 HB3 -0.24 0.10 0.12 -0.04 1.64 1.58 1mv5A1 LEU 580 HG -0.04 0.03 -0.31 -0.04 1.64 1.28 1mv5A1 LEU 580 HD13 0.05 -0.01 -0.25 -0.04 0.93 0.69 1mv5A1 LEU 580 HD23 0.04 -0.02 -0.07 -0.04 0.89 0.80 1mv5A1 THR 581 H -0.09 0.35 -0.05 -0.55 8.28 7.93 1mv5A1 THR 581 HA -0.03 -0.03 0.61 -0.75 4.39 4.19 1mv5A1 THR 581 HB -0.04 0.09 0.22 -0.04 4.32 4.55 1mv5A1 THR 581 HG23 -0.02 -0.03 -0.05 -0.04 1.22 1.07 1mv5A1 VAL 582 H -0.04 0.26 0.01 -0.55 8.24 7.91 1mv5A1 VAL 582 HA -0.02 0.12 0.86 -0.75 4.13 4.34 1mv5A1 VAL 582 HB -0.02 0.05 0.19 -0.04 2.12 2.30 1mv5A1 VAL 582 HG13 -0.01 -0.01 -0.06 -0.04 0.97 0.85 1mv5A1 VAL 582 HG23 -0.02 -0.02 -0.04 -0.04 0.95 0.83 1mv5A1 GLY 583 H -0.02 0.30 0.18 -0.55 8.43 8.34 1mv5A1 GLY 583 HA2 -0.01 -0.05 0.15 -0.51 4.01 3.59 1mv5A1 GLY 583 HA3 -0.01 -0.01 0.16 -0.51 4.01 3.64