============================================================================= 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 -10.004 35.375 105.897 -99.200 -91.000 PHE 9 1.000 3.075 43.302 104.145 -99.200 -91.000 TYR 11 0.840 5.960 47.524 105.037 -99.200 -91.000 PHE 23 1.000 -9.287 44.723 99.579 -99.200 -91.000 PHE 33 1.000 -9.471 49.551 100.488 -99.200 -91.000 PHE 45 1.000 -5.215 51.800 96.724 -99.200 -91.000 PHE 51 1.000 5.000 49.169 93.720 -99.200 -91.000 TYR 52 0.840 6.447 46.605 100.109 -99.200 -91.000 TRP 74 1.040 -1.670 42.671 89.530 -99.200 -91.000 TRP6 74 1.020 -4.040 42.396 89.577 -99.200 -91.000 PHE 80 1.000 -4.591 54.224 85.414 -99.200 -91.000 TYR 98 0.840 7.090 59.201 80.673 -99.200 -91.000 TYR 104 0.840 -1.649 55.600 71.659 -99.200 -91.000 TRP 110 1.040 -7.455 65.548 67.998 -99.200 -91.000 TRP6 110 1.020 -7.403 67.529 69.344 -99.200 -91.000 PHE 117 1.000 -16.475 64.993 79.918 -99.200 -91.000 PHE 121 1.000 -5.851 70.842 77.944 -99.200 -91.000 PHE 154 1.000 -11.365 58.099 79.800 -99.200 -91.000 HIS 196 0.900 -6.182 60.734 102.010 -99.200 -91.000 TYR 208 0.840 -14.314 46.767 102.184 -99.200 -91.000 PHE 209 1.000 -12.816 54.122 110.365 -99.200 -91.000 HIS 221 0.900 -20.485 59.252 104.881 -99.200 -91.000 HIS 228 0.900 -16.579 52.592 113.598 -99.200 -91.000 TYR 231 0.840 -17.132 56.382 107.812 -99.200 -91.000 TYR 234 0.840 -10.296 59.521 108.718 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mv5B1 MET 1342 HA 0.07 0.15 0.29 -0.75 4.52 4.27 1mv5B1 MET 1342 HB2 0.04 -0.06 0.01 -0.04 2.15 2.10 1mv5B1 MET 1342 HB3 0.06 -0.05 -0.08 -0.04 2.03 1.92 1mv5B1 MET 1342 HG2 0.06 0.08 -0.06 -0.04 2.63 2.68 1mv5B1 MET 1342 HG3 0.04 -0.02 -0.00 -0.04 2.56 2.54 1mv5B1 MET 1342 HE3 0.04 -0.01 -0.08 -0.04 2.10 2.01 1mv5B1 LEU 1343 H 0.10 0.38 0.21 -0.55 8.37 8.52 1mv5B1 LEU 1343 HA 0.10 0.14 0.69 -0.75 4.35 4.52 1mv5B1 LEU 1343 HB2 0.17 0.09 -0.06 -0.04 1.64 1.80 1mv5B1 LEU 1343 HB3 0.21 -0.13 0.12 -0.04 1.64 1.80 1mv5B1 LEU 1343 HG 0.19 0.00 -0.18 -0.04 1.64 1.61 1mv5B1 LEU 1343 HD13 0.33 0.02 -0.13 -0.04 0.93 1.11 1mv5B1 LEU 1343 HD23 0.24 -0.02 -0.42 -0.04 0.89 0.65 1mv5B1 SER 1344 H -0.00 0.71 0.07 -0.55 8.46 8.69 1mv5B1 SER 1344 HA -0.02 0.28 1.21 -0.75 4.49 5.20 1mv5B1 SER 1344 HB2 -0.04 -0.06 0.06 -0.04 3.95 3.87 1mv5B1 SER 1344 HB3 -0.01 0.03 -0.01 -0.04 3.93 3.90 1mv5B1 ALA 1345 H -0.45 0.74 0.22 -0.55 8.40 8.37 1mv5B1 ALA 1345 HA -0.38 0.07 0.77 -0.75 4.34 4.05 1mv5B1 ALA 1345 HB3 -1.42 -0.16 0.11 -0.04 1.41 -0.10 1mv5B1 ARG 1346 H -0.14 0.62 0.21 -0.55 8.46 8.59 1mv5B1 ARG 1346 HA -0.02 0.04 0.89 -0.75 4.34 4.50 1mv5B1 ARG 1346 HB2 -0.03 0.09 0.24 -0.04 1.90 2.16 1mv5B1 ARG 1346 HB3 0.05 -0.05 0.08 -0.04 1.80 1.84 1mv5B1 ARG 1346 HG2 0.00 -0.01 -0.05 -0.04 1.67 1.58 1mv5B1 ARG 1346 HG3 -0.05 0.01 -0.11 -0.04 1.67 1.48 1mv5B1 ARG 1346 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.14 1mv5B1 ARG 1346 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 1mv5B1 HIS 1347 H -0.21 0.15 0.08 -0.55 8.41 7.88 1mv5B1 HIS 1347 HA -0.03 0.06 0.38 -0.75 4.63 4.28 1mv5B1 HIS 1347 HB2 -0.03 0.01 -0.08 -0.04 3.26 3.12 1mv5B1 HIS 1347 HB3 -0.01 -0.03 -0.05 -0.04 3.20 3.06 1mv5B1 HIS 1347 HD2 -0.03 -0.06 -0.04 -0.04 6.97 6.80 1mv5B1 HIS 1347 HE1 0.01 -0.01 -0.03 -0.04 7.75 7.68 1mv5B1 VAL 1348 H -0.06 0.10 0.23 -0.55 8.24 7.95 1mv5B1 VAL 1348 HA 0.02 0.56 1.21 -0.75 4.13 5.16 1mv5B1 VAL 1348 HB -0.06 -0.12 0.01 -0.04 2.12 1.91 1mv5B1 VAL 1348 HG13 -0.00 -0.01 -0.22 -0.04 0.97 0.69 1mv5B1 VAL 1348 HG23 -0.09 0.01 -0.47 -0.04 0.95 0.36 1mv5B1 ASP 1349 H 0.06 0.49 0.25 -0.55 8.40 8.65 1mv5B1 ASP 1349 HA 0.07 0.38 0.74 -0.75 4.63 5.06 1mv5B1 ASP 1349 HB2 0.05 -0.10 0.15 -0.04 2.71 2.77 1mv5B1 ASP 1349 HB3 0.04 0.02 0.02 -0.04 2.70 2.74 1mv5B1 PHE 1350 H 0.12 0.90 0.36 -0.55 8.34 9.16 1mv5B1 PHE 1350 HA -0.02 0.07 0.77 -0.75 4.62 4.69 1mv5B1 PHE 1350 HB2 -0.02 0.07 -0.30 -0.04 3.15 2.86 1mv5B1 PHE 1350 HB3 -0.01 -0.06 -0.08 -0.04 3.06 2.87 1mv5B1 PHE 1350 HD2 -0.04 -0.06 -0.06 -0.04 7.28 7.09 1mv5B1 PHE 1350 HE2 -0.46 -0.04 -0.07 -0.04 7.38 6.77 1mv5B1 PHE 1350 HZ -0.97 -0.05 -0.11 -0.04 7.32 6.15 1mv5B1 ALA 1351 H -1.33 0.39 0.18 -0.55 8.40 7.10 1mv5B1 ALA 1351 HA -0.40 -0.12 0.77 -0.75 4.34 3.84 1mv5B1 ALA 1351 HB3 -0.19 0.12 -0.06 -0.04 1.41 1.24 1mv5B1 TYR 1352 H 0.01 0.06 0.20 -0.55 8.29 8.00 1mv5B1 TYR 1352 HA -0.25 0.17 0.69 -0.75 4.56 4.42 1mv5B1 TYR 1352 HB2 -0.13 -0.11 0.20 -0.04 3.06 2.97 1mv5B1 TYR 1352 HB3 -0.09 0.03 0.04 -0.04 2.98 2.93 1mv5B1 TYR 1352 HD2 -0.16 -0.04 -0.01 -0.04 7.15 6.91 1mv5B1 TYR 1352 HE2 0.02 0.00 -0.07 -0.04 6.85 6.76 1mv5B1 ASP 1353 H -0.00 0.02 0.17 -0.55 8.40 8.04 1mv5B1 ASP 1353 HA -0.01 0.22 0.74 -0.75 4.63 4.82 1mv5B1 ASP 1353 HB2 -0.03 -0.05 0.09 -0.04 2.71 2.67 1mv5B1 ASP 1353 HB3 -0.02 -0.10 0.14 -0.04 2.70 2.68 1mv5B1 ASP 1354 H -0.02 0.11 0.12 -0.55 8.40 8.05 1mv5B1 ASP 1354 HA -0.04 0.18 0.37 -0.75 4.63 4.38 1mv5B1 ASP 1354 HB2 -0.02 -0.06 0.10 -0.04 2.71 2.70 1mv5B1 ASP 1354 HB3 -0.02 0.05 0.02 -0.04 2.70 2.71 1mv5B1 SER 1355 H -0.03 -0.04 -0.10 -0.55 8.46 7.75 1mv5B1 SER 1355 HA -0.02 0.12 0.36 -0.75 4.49 4.20 1mv5B1 SER 1355 HB2 -0.02 0.05 -0.09 -0.04 3.95 3.84 1mv5B1 SER 1355 HB3 -0.02 0.01 0.05 -0.04 3.93 3.93 1mv5B1 GLU 1356 H -0.04 -0.02 -0.07 -0.55 8.60 7.93 1mv5B1 GLU 1356 HA -0.03 0.16 0.71 -0.75 4.29 4.37 1mv5B1 GLU 1356 HB2 -0.06 -0.11 0.14 -0.04 2.09 2.02 1mv5B1 GLU 1356 HB3 -0.06 0.02 -0.02 -0.04 1.99 1.89 1mv5B1 GLU 1356 HG2 -0.04 0.08 -0.01 -0.04 2.34 2.34 1mv5B1 GLU 1356 HG3 -0.04 -0.03 -0.03 -0.04 2.34 2.19 1mv5B1 GLN 1357 H -0.03 0.25 0.03 -0.55 8.47 8.18 1mv5B1 GLN 1357 HA -0.07 0.13 0.77 -0.75 4.36 4.43 1mv5B1 GLN 1357 HB2 -0.03 0.05 0.00 -0.04 2.15 2.13 1mv5B1 GLN 1357 HB3 -0.02 -0.03 0.17 -0.04 2.02 2.10 1mv5B1 GLN 1357 HG2 -0.01 0.08 -0.32 -0.04 2.40 2.11 1mv5B1 GLN 1357 HG3 -0.04 -0.02 -0.13 -0.04 2.39 2.16 1mv5B1 GLN 1357 HE21 0.01 -0.05 -0.02 -0.04 6.97 6.87 1mv5B1 GLN 1357 HE22 0.00 -0.00 -0.04 -0.04 7.69 7.61 1mv5B1 ILE 1358 H -0.06 0.11 0.09 -0.55 8.25 7.85 1mv5B1 ILE 1358 HA 0.01 0.03 0.26 -0.75 4.18 3.73 1mv5B1 ILE 1358 HB 0.14 0.00 0.03 -0.04 1.89 2.02 1mv5B1 ILE 1358 HG12 -0.03 0.01 -0.08 -0.04 1.49 1.35 1mv5B1 ILE 1358 HG13 -0.03 0.06 -0.12 -0.04 1.21 1.08 1mv5B1 ILE 1358 HG23 0.12 -0.00 -0.10 -0.04 0.93 0.90 1mv5B1 ILE 1358 HD13 -0.07 -0.05 0.02 -0.04 0.88 0.75 1mv5B1 LEU 1359 H 0.09 0.67 0.20 -0.55 8.37 8.79 1mv5B1 LEU 1359 HA 0.06 0.27 1.10 -0.75 4.35 5.03 1mv5B1 LEU 1359 HB2 0.20 -0.11 0.06 -0.04 1.64 1.76 1mv5B1 LEU 1359 HB3 0.09 0.12 0.07 -0.04 1.64 1.88 1mv5B1 LEU 1359 HG 0.24 -0.15 -0.31 -0.04 1.64 1.38 1mv5B1 LEU 1359 HD13 0.07 -0.02 -0.21 -0.04 0.93 0.74 1mv5B1 LEU 1359 HD23 0.05 0.04 -0.06 -0.04 0.89 0.89 1mv5B1 ARG 1360 H 0.04 0.43 0.15 -0.55 8.46 8.52 1mv5B1 ARG 1360 HA 0.03 0.07 0.71 -0.75 4.34 4.40 1mv5B1 ARG 1360 HB2 0.02 0.07 0.07 -0.04 1.90 2.02 1mv5B1 ARG 1360 HB3 0.02 -0.15 0.20 -0.04 1.80 1.83 1mv5B1 ARG 1360 HG2 0.02 0.05 -0.16 -0.04 1.67 1.53 1mv5B1 ARG 1360 HG3 0.02 0.05 -0.07 -0.04 1.67 1.62 1mv5B1 ARG 1360 HD2 0.01 -0.04 0.02 -0.04 3.22 3.18 1mv5B1 ARG 1360 HD3 0.02 -0.04 0.03 -0.04 3.22 3.18 1mv5B1 ASP 1361 H 0.03 0.09 0.08 -0.55 8.40 8.05 1mv5B1 ASP 1361 HA 0.01 0.05 0.33 -0.75 4.63 4.26 1mv5B1 ASP 1361 HB2 0.09 0.01 0.01 -0.04 2.71 2.79 1mv5B1 ASP 1361 HB3 0.04 -0.03 0.16 -0.04 2.70 2.83 1mv5B1 ILE 1362 H -0.03 0.28 0.36 -0.55 8.25 8.31 1mv5B1 ILE 1362 HA -0.00 0.10 0.86 -0.75 4.18 4.38 1mv5B1 ILE 1362 HB -0.01 0.04 0.13 -0.04 1.89 2.01 1mv5B1 ILE 1362 HG12 0.06 -0.06 -0.09 -0.04 1.49 1.35 1mv5B1 ILE 1362 HG13 0.04 0.25 -0.14 -0.04 1.21 1.32 1mv5B1 ILE 1362 HG23 0.12 -0.03 -0.15 -0.04 0.93 0.83 1mv5B1 ILE 1362 HD13 0.07 -0.01 -0.08 -0.04 0.88 0.82 1mv5B1 SER 1363 H -0.02 0.18 -0.06 -0.55 8.46 8.01 1mv5B1 SER 1363 HA -0.25 0.47 0.75 -0.75 4.49 4.71 1mv5B1 SER 1363 HB2 -0.14 0.04 0.10 -0.04 3.95 3.91 1mv5B1 SER 1363 HB3 -0.47 -0.10 -0.00 -0.04 3.93 3.32 1mv5B1 PHE 1364 H -0.57 0.17 0.23 -0.55 8.34 7.62 1mv5B1 PHE 1364 HA -0.16 0.22 0.81 -0.75 4.62 4.73 1mv5B1 PHE 1364 HB2 -0.78 0.05 0.10 -0.04 3.15 2.48 1mv5B1 PHE 1364 HB3 -0.95 -0.01 0.02 -0.04 3.06 2.08 1mv5B1 PHE 1364 HD2 -0.01 0.01 -0.25 -0.04 7.28 7.00 1mv5B1 PHE 1364 HE2 0.04 0.03 -0.14 -0.04 7.38 7.27 1mv5B1 PHE 1364 HZ 0.05 0.04 -0.14 -0.04 7.32 7.23 1mv5B1 GLU 1365 H 0.33 0.26 0.14 -0.55 8.60 8.79 1mv5B1 GLU 1365 HA 0.14 0.37 0.84 -0.75 4.29 4.88 1mv5B1 GLU 1365 HB2 0.14 -0.03 0.06 -0.04 2.09 2.21 1mv5B1 GLU 1365 HB3 0.10 0.03 -0.02 -0.04 1.99 2.05 1mv5B1 GLU 1365 HG2 0.05 -0.00 -0.09 -0.04 2.34 2.25 1mv5B1 GLU 1365 HG3 0.02 0.09 -0.05 -0.04 2.34 2.37 1mv5B1 ALA 1366 H 0.19 0.50 0.27 -0.55 8.40 8.81 1mv5B1 ALA 1366 HA 0.14 0.13 0.91 -0.75 4.34 4.77 1mv5B1 ALA 1366 HB3 0.16 0.02 0.00 -0.04 1.41 1.56 1mv5B1 GLN 1367 H 0.07 0.14 0.14 -0.55 8.47 8.28 1mv5B1 GLN 1367 HA 0.06 0.19 0.78 -0.75 4.36 4.64 1mv5B1 GLN 1367 HB2 0.04 0.01 -0.00 -0.04 2.15 2.15 1mv5B1 GLN 1367 HB3 0.04 0.08 0.10 -0.04 2.02 2.20 1mv5B1 GLN 1367 HG2 0.06 0.04 -0.18 -0.04 2.40 2.27 1mv5B1 GLN 1367 HG3 0.07 -0.12 -0.21 -0.04 2.39 2.09 1mv5B1 GLN 1367 HE21 0.04 -0.02 -0.04 -0.04 6.97 6.91 1mv5B1 GLN 1367 HE22 0.05 -0.02 -0.10 -0.04 7.69 7.58 1mv5B1 PRO 1368 HA 0.02 0.02 0.37 -0.51 4.44 4.35 1mv5B1 PRO 1368 HB2 0.02 -0.01 0.05 -0.04 2.28 2.30 1mv5B1 PRO 1368 HB3 0.02 0.14 0.12 -0.04 2.02 2.25 1mv5B1 PRO 1368 HG2 0.03 0.02 0.11 -0.04 2.03 2.15 1mv5B1 PRO 1368 HG3 0.03 0.08 0.12 -0.04 2.03 2.22 1mv5B1 PRO 1368 HD2 0.03 0.06 0.21 -0.04 3.68 3.94 1mv5B1 PRO 1368 HD3 0.04 0.16 0.25 -0.04 3.65 4.05 1mv5B1 ASN 1369 H 0.01 0.20 -0.21 -0.55 8.53 7.99 1mv5B1 ASN 1369 HA 0.01 0.20 0.19 -0.75 4.76 4.40 1mv5B1 ASN 1369 HB2 0.02 0.07 -0.21 -0.04 2.88 2.71 1mv5B1 ASN 1369 HB3 0.01 -0.06 0.12 -0.04 2.79 2.83 1mv5B1 ASN 1369 HD21 0.02 0.03 -0.00 -0.04 7.03 7.04 1mv5B1 ASN 1369 HD22 0.02 -0.08 -0.11 -0.04 7.74 7.52 1mv5B1 SER 1370 H 0.02 0.29 -0.76 -0.55 8.46 7.46 1mv5B1 SER 1370 HA 0.01 0.07 0.80 -0.75 4.49 4.62 1mv5B1 SER 1370 HB2 0.02 -0.07 0.02 -0.04 3.95 3.88 1mv5B1 SER 1370 HB3 0.02 0.09 -0.08 -0.04 3.93 3.92 1mv5B1 ILE 1371 H 0.01 0.16 0.12 -0.55 8.25 7.99 1mv5B1 ILE 1371 HA 0.02 0.28 0.86 -0.75 4.18 4.59 1mv5B1 ILE 1371 HB 0.01 -0.10 0.08 -0.04 1.89 1.84 1mv5B1 ILE 1371 HG12 0.01 0.09 -0.15 -0.04 1.49 1.40 1mv5B1 ILE 1371 HG13 0.01 0.07 -0.18 -0.04 1.21 1.06 1mv5B1 ILE 1371 HG23 0.02 -0.02 -0.18 -0.04 0.93 0.71 1mv5B1 ILE 1371 HD13 0.00 0.00 -0.14 -0.04 0.88 0.71 1mv5B1 ILE 1372 H 0.02 0.64 0.22 -0.55 8.25 8.59 1mv5B1 ILE 1372 HA -0.05 0.25 1.06 -0.75 4.18 4.69 1mv5B1 ILE 1372 HB -0.03 0.10 0.21 -0.04 1.89 2.13 1mv5B1 ILE 1372 HG12 0.03 0.15 0.18 -0.04 1.49 1.81 1mv5B1 ILE 1372 HG13 -0.21 -0.10 -0.17 -0.04 1.21 0.70 1mv5B1 ILE 1372 HG23 0.07 0.04 -0.02 -0.04 0.93 0.98 1mv5B1 ILE 1372 HD13 -0.12 -0.01 -0.08 -0.04 0.88 0.63 1mv5B1 ALA 1373 H -0.14 0.39 0.31 -0.55 8.40 8.41 1mv5B1 ALA 1373 HA -0.00 0.14 0.81 -0.75 4.34 4.53 1mv5B1 ALA 1373 HB3 0.00 -0.04 -0.05 -0.04 1.41 1.29 1mv5B1 PHE 1374 H 0.10 0.08 -0.00 -0.55 8.34 7.96 1mv5B1 PHE 1374 HA 0.03 0.32 0.90 -0.75 4.62 5.11 1mv5B1 PHE 1374 HB2 -0.19 0.04 0.33 -0.04 3.15 3.30 1mv5B1 PHE 1374 HB3 -0.14 -0.06 0.12 -0.04 3.06 2.93 1mv5B1 PHE 1374 HD2 -0.06 0.13 -0.03 -0.04 7.28 7.28 1mv5B1 PHE 1374 HE2 -0.37 -0.01 -0.09 -0.04 7.38 6.88 1mv5B1 PHE 1374 HZ -2.21 -0.01 -0.09 -0.04 7.32 4.96 1mv5B1 ALA 1375 H 0.16 0.33 0.19 -0.55 8.40 8.53 1mv5B1 ALA 1375 HA 0.03 0.19 0.91 -0.75 4.34 4.71 1mv5B1 ALA 1375 HB3 0.31 -0.02 0.03 -0.04 1.41 1.70 1mv5B1 GLY 1376 H -0.27 0.23 0.17 -0.55 8.43 8.00 1mv5B1 GLY 1376 HA2 -0.80 -0.01 0.31 -0.51 4.01 2.99 1mv5B1 GLY 1376 HA3 -0.42 0.38 0.73 -0.51 4.01 4.18 1mv5B1 PRO 1377 HA 0.09 0.06 0.49 -0.51 4.44 4.57 1mv5B1 PRO 1377 HB2 -0.07 -0.06 0.01 -0.04 2.28 2.12 1mv5B1 PRO 1377 HB3 0.02 0.10 0.06 -0.04 2.02 2.16 1mv5B1 PRO 1377 HG2 -0.07 0.05 0.08 -0.04 2.03 2.04 1mv5B1 PRO 1377 HG3 -0.00 0.06 0.07 -0.04 2.03 2.12 1mv5B1 PRO 1377 HD2 -0.34 0.14 0.36 -0.04 3.68 3.80 1mv5B1 PRO 1377 HD3 -0.55 0.08 0.16 -0.04 3.65 3.30 1mv5B1 SER 1378 H 0.08 0.17 0.18 -0.55 8.46 8.34 1mv5B1 SER 1378 HA 0.02 -0.06 0.51 -0.75 4.49 4.21 1mv5B1 SER 1378 HB2 0.02 0.03 0.12 -0.04 3.95 4.08 1mv5B1 SER 1378 HB3 0.07 0.04 0.17 -0.04 3.93 4.17 1mv5B1 GLY 1379 H -0.02 -0.01 0.29 -0.55 8.43 8.15 1mv5B1 GLY 1379 HA2 -0.03 0.01 0.23 -0.51 4.01 3.72 1mv5B1 GLY 1379 HA3 -0.02 0.22 0.76 -0.51 4.01 4.46 1mv5B1 GLY 1380 H -0.06 0.74 0.23 -0.55 8.43 8.79 1mv5B1 GLY 1380 HA2 -0.09 -0.13 0.28 -0.51 4.01 3.56 1mv5B1 GLY 1380 HA3 -0.11 0.16 0.29 -0.51 4.01 3.84 1mv5B1 GLY 1381 H -0.04 -0.14 -0.21 -0.55 8.43 7.49 1mv5B1 GLY 1381 HA2 0.02 -0.02 0.19 -0.51 4.01 3.68 1mv5B1 GLY 1381 HA3 0.01 0.39 0.82 -0.51 4.01 4.72 1mv5B1 LYS 1382 H -0.07 -0.02 0.00 -0.55 8.42 7.77 1mv5B1 LYS 1382 HA -0.25 0.20 0.32 -0.75 4.32 3.84 1mv5B1 LYS 1382 HB2 -0.09 -0.11 0.13 -0.04 1.87 1.76 1mv5B1 LYS 1382 HB3 -0.24 0.10 0.02 -0.04 1.79 1.62 1mv5B1 LYS 1382 HG2 -0.08 0.18 -0.10 -0.04 1.46 1.42 1mv5B1 LYS 1382 HG3 -0.10 0.03 -0.14 -0.04 1.46 1.21 1mv5B1 LYS 1382 HD2 -0.12 0.08 -0.36 -0.04 1.69 1.25 1mv5B1 LYS 1382 HD3 -0.09 -0.18 -0.08 -0.04 1.68 1.29 1mv5B1 LYS 1382 HE2 -0.05 -0.03 -0.01 -0.04 2.99 2.86 1mv5B1 LYS 1382 HE3 -0.09 0.01 -0.02 -0.04 2.99 2.85 1mv5B1 SER 1383 H -0.06 0.08 -0.03 -0.55 8.46 7.91 1mv5B1 SER 1383 HA -0.06 0.13 0.26 -0.75 4.49 4.06 1mv5B1 SER 1383 HB2 0.05 -0.03 -0.00 -0.04 3.95 3.92 1mv5B1 SER 1383 HB3 0.09 0.10 -0.02 -0.04 3.93 4.06 1mv5B1 THR 1384 H 0.03 -0.06 -0.71 -0.55 8.28 6.99 1mv5B1 THR 1384 HA 0.16 0.05 0.15 -0.75 4.39 3.99 1mv5B1 THR 1384 HB 0.09 0.25 -0.08 -0.04 4.32 4.54 1mv5B1 THR 1384 HG23 0.21 0.01 -0.14 -0.04 1.22 1.25 1mv5B1 ILE 1385 H -0.06 0.41 -0.37 -0.55 8.25 7.68 1mv5B1 ILE 1385 HA -0.01 0.06 0.37 -0.75 4.18 3.84 1mv5B1 ILE 1385 HB -0.34 0.14 0.21 -0.04 1.89 1.86 1mv5B1 ILE 1385 HG12 -0.01 -0.01 -0.05 -0.04 1.49 1.38 1mv5B1 ILE 1385 HG13 -0.09 0.21 -0.03 -0.04 1.21 1.26 1mv5B1 ILE 1385 HG23 -0.20 -0.01 -0.15 -0.04 0.93 0.52 1mv5B1 ILE 1385 HD13 -0.21 -0.03 -0.11 -0.04 0.88 0.50 1mv5B1 PHE 1386 H 0.06 0.46 -0.06 -0.55 8.34 8.25 1mv5B1 PHE 1386 HA -0.04 0.02 0.14 -0.75 4.62 3.99 1mv5B1 PHE 1386 HB2 -0.01 -0.01 0.12 -0.04 3.15 3.21 1mv5B1 PHE 1386 HB3 0.01 0.02 -0.02 -0.04 3.06 3.02 1mv5B1 PHE 1386 HD2 -0.08 -0.07 -0.14 -0.04 7.28 6.95 1mv5B1 PHE 1386 HE2 0.00 0.26 -0.04 -0.04 7.38 7.57 1mv5B1 PHE 1386 HZ 0.12 -0.03 -0.53 -0.04 7.32 6.84 1mv5B1 SER 1387 H 0.18 0.44 -0.40 -0.55 8.46 8.14 1mv5B1 SER 1387 HA 0.26 0.04 0.33 -0.75 4.49 4.36 1mv5B1 SER 1387 HB2 0.27 0.11 0.03 -0.04 3.95 4.32 1mv5B1 SER 1387 HB3 0.58 -0.05 -0.02 -0.04 3.93 4.40 1mv5B1 LEU 1388 H 0.05 0.63 -0.26 -0.55 8.37 8.24 1mv5B1 LEU 1388 HA -0.02 0.09 0.51 -0.75 4.35 4.16 1mv5B1 LEU 1388 HB2 -0.06 0.11 0.05 -0.04 1.64 1.69 1mv5B1 LEU 1388 HB3 -0.12 -0.03 -0.10 -0.04 1.64 1.34 1mv5B1 LEU 1388 HG -0.36 0.15 -0.07 -0.04 1.64 1.31 1mv5B1 LEU 1388 HD13 -0.51 -0.04 -0.16 -0.04 0.93 0.17 1mv5B1 LEU 1388 HD23 -0.62 -0.03 -0.40 -0.04 0.89 -0.20 1mv5B1 LEU 1389 H 0.07 0.36 -0.18 -0.55 8.37 8.07 1mv5B1 LEU 1389 HA 0.17 0.06 0.53 -0.75 4.35 4.35 1mv5B1 LEU 1389 HB2 -0.00 0.00 0.05 -0.04 1.64 1.65 1mv5B1 LEU 1389 HB3 0.00 0.02 -0.06 -0.04 1.64 1.56 1mv5B1 LEU 1389 HG 0.22 -0.01 -0.19 -0.04 1.64 1.63 1mv5B1 LEU 1389 HD13 0.08 -0.02 -0.15 -0.04 0.93 0.80 1mv5B1 LEU 1389 HD23 0.30 0.00 -0.11 -0.04 0.89 1.04 1mv5B1 GLU 1390 H -0.05 0.53 -0.18 -0.55 8.60 8.36 1mv5B1 GLU 1390 HA -0.20 0.12 0.28 -0.75 4.29 3.73 1mv5B1 GLU 1390 HB2 -0.21 0.12 0.05 -0.04 2.09 2.00 1mv5B1 GLU 1390 HB3 -0.75 -0.10 0.04 -0.04 1.99 1.13 1mv5B1 GLU 1390 HG2 -0.63 -0.00 0.06 -0.04 2.34 1.73 1mv5B1 GLU 1390 HG3 -0.32 0.04 -0.07 -0.04 2.34 1.95 1mv5B1 ARG 1391 H -0.00 0.12 -1.23 -0.55 8.46 6.79 1mv5B1 ARG 1391 HA -0.01 0.17 0.23 -0.75 4.34 3.97 1mv5B1 ARG 1391 HB2 0.23 0.02 -0.24 -0.04 1.90 1.87 1mv5B1 ARG 1391 HB3 0.03 0.11 -0.07 -0.04 1.80 1.83 1mv5B1 ARG 1391 HG2 0.05 -0.08 0.00 -0.04 1.67 1.61 1mv5B1 ARG 1391 HG3 0.00 0.01 0.16 -0.04 1.67 1.81 1mv5B1 ARG 1391 HD2 -0.08 -0.01 -0.01 -0.04 3.22 3.08 1mv5B1 ARG 1391 HD3 -0.10 0.06 -0.02 -0.04 3.22 3.12 1mv5B1 PHE 1392 H -0.21 0.26 -0.32 -0.55 8.34 7.53 1mv5B1 PHE 1392 HA -0.15 0.06 0.47 -0.75 4.62 4.24 1mv5B1 PHE 1392 HB2 -0.25 -0.02 0.06 -0.04 3.15 2.90 1mv5B1 PHE 1392 HB3 -0.51 -0.08 0.03 -0.04 3.06 2.46 1mv5B1 PHE 1392 HD2 -0.04 -0.03 -0.01 -0.04 7.28 7.15 1mv5B1 PHE 1392 HE2 -0.02 -0.04 -0.04 -0.04 7.38 7.24 1mv5B1 PHE 1392 HZ -0.03 -0.02 -0.04 -0.04 7.32 7.19 1mv5B1 TYR 1393 H 0.10 0.21 -0.24 -0.55 8.29 7.81 1mv5B1 TYR 1393 HA 0.02 0.18 0.81 -0.75 4.56 4.81 1mv5B1 TYR 1393 HB2 -0.32 0.01 -0.18 -0.04 3.06 2.53 1mv5B1 TYR 1393 HB3 -0.08 -0.03 0.07 -0.04 2.98 2.90 1mv5B1 TYR 1393 HD2 -0.00 0.02 -0.13 -0.04 7.15 6.99 1mv5B1 TYR 1393 HE2 0.10 -0.04 -0.08 -0.04 6.85 6.80 1mv5B1 GLN 1394 H 0.16 0.07 0.11 -0.55 8.47 8.27 1mv5B1 GLN 1394 HA -0.01 0.21 0.71 -0.75 4.36 4.52 1mv5B1 GLN 1394 HB2 0.09 0.15 -0.06 -0.04 2.15 2.28 1mv5B1 GLN 1394 HB3 0.03 0.02 0.09 -0.04 2.02 2.12 1mv5B1 GLN 1394 HG2 0.07 0.03 -0.01 -0.04 2.40 2.45 1mv5B1 GLN 1394 HG3 0.16 -0.14 0.14 -0.04 2.39 2.51 1mv5B1 GLN 1394 HE21 0.05 -0.03 0.01 -0.04 6.97 6.97 1mv5B1 GLN 1394 HE22 0.06 -0.00 0.01 -0.04 7.69 7.72 1mv5B1 PRO 1395 HA 0.03 0.04 0.59 -0.51 4.44 4.60 1mv5B1 PRO 1395 HB2 -0.00 0.16 -0.12 -0.04 2.28 2.27 1mv5B1 PRO 1395 HB3 -0.02 0.01 -0.06 -0.04 2.02 1.91 1mv5B1 PRO 1395 HG2 -0.07 -0.03 0.02 -0.04 2.03 1.91 1mv5B1 PRO 1395 HG3 -0.09 0.02 -0.10 -0.04 2.03 1.82 1mv5B1 PRO 1395 HD2 -0.03 0.10 0.22 -0.04 3.68 3.93 1mv5B1 PRO 1395 HD3 -0.06 0.18 0.17 -0.04 3.65 3.90 1mv5B1 THR 1396 H 0.20 0.63 0.37 -0.55 8.28 8.94 1mv5B1 THR 1396 HA 0.08 0.11 0.70 -0.75 4.39 4.53 1mv5B1 THR 1396 HB 0.05 -0.03 -0.01 -0.04 4.32 4.29 1mv5B1 THR 1396 HG23 0.01 -0.02 -0.03 -0.04 1.22 1.14 1mv5B1 ALA 1397 H 0.06 0.30 0.25 -0.55 8.40 8.47 1mv5B1 ALA 1397 HA 0.02 0.17 0.93 -0.75 4.34 4.71 1mv5B1 ALA 1397 HB3 0.03 -0.03 0.01 -0.04 1.41 1.38 1mv5B1 GLY 1398 H 0.01 0.05 0.15 -0.55 8.43 8.08 1mv5B1 GLY 1398 HA2 0.00 -0.11 0.43 -0.51 4.01 3.83 1mv5B1 GLY 1398 HA3 0.03 0.82 0.86 -0.51 4.01 5.21 1mv5B1 GLU 1399 H -0.02 0.55 0.34 -0.55 8.60 8.92 1mv5B1 GLU 1399 HA -0.07 0.18 0.98 -0.75 4.29 4.63 1mv5B1 GLU 1399 HB2 -0.08 -0.03 -0.02 -0.04 2.09 1.92 1mv5B1 GLU 1399 HB3 -0.06 0.04 -0.12 -0.04 1.99 1.81 1mv5B1 GLU 1399 HG2 -0.03 -0.03 0.06 -0.04 2.34 2.30 1mv5B1 GLU 1399 HG3 -0.05 -0.02 -0.03 -0.04 2.34 2.20 1mv5B1 ILE 1400 H -0.13 0.18 0.19 -0.55 8.25 7.95 1mv5B1 ILE 1400 HA -0.15 0.18 1.02 -0.75 4.18 4.47 1mv5B1 ILE 1400 HB -0.15 -0.01 0.14 -0.04 1.89 1.83 1mv5B1 ILE 1400 HG12 -0.13 0.00 -0.19 -0.04 1.49 1.13 1mv5B1 ILE 1400 HG13 -0.11 -0.01 -0.01 -0.04 1.21 1.04 1mv5B1 ILE 1400 HG23 -0.09 -0.02 -0.13 -0.04 0.93 0.65 1mv5B1 ILE 1400 HD13 -0.04 0.04 -0.15 -0.04 0.88 0.68 1mv5B1 THR 1401 H -0.10 0.97 0.26 -0.55 8.28 8.86 1mv5B1 THR 1401 HA -0.12 0.11 1.17 -0.75 4.39 4.79 1mv5B1 THR 1401 HB -0.05 0.09 -0.55 -0.04 4.32 3.77 1mv5B1 THR 1401 HG23 -0.06 -0.00 -0.25 -0.04 1.22 0.87 1mv5B1 ILE 1402 H -0.12 0.28 0.01 -0.55 8.25 7.87 1mv5B1 ILE 1402 HA 0.05 0.23 0.74 -0.75 4.18 4.45 1mv5B1 ILE 1402 HB 0.04 -0.08 0.02 -0.04 1.89 1.83 1mv5B1 ILE 1402 HG12 0.11 0.02 -0.10 -0.04 1.49 1.47 1mv5B1 ILE 1402 HG13 0.15 0.17 0.09 -0.04 1.21 1.58 1mv5B1 ILE 1402 HG23 -0.05 -0.01 -0.00 -0.04 0.93 0.82 1mv5B1 ILE 1402 HD13 0.38 -0.02 -0.05 -0.04 0.88 1.15 1mv5B1 ASP 1403 H 0.04 0.87 0.34 -0.55 8.40 9.10 1mv5B1 ASP 1403 HA 0.03 0.05 0.36 -0.75 4.63 4.31 1mv5B1 ASP 1403 HB2 0.03 0.05 -0.13 -0.04 2.71 2.62 1mv5B1 ASP 1403 HB3 0.02 -0.06 0.21 -0.04 2.70 2.83 1mv5B1 GLY 1404 H -0.00 0.14 -0.49 -0.55 8.43 7.54 1mv5B1 GLY 1404 HA2 -0.01 -0.06 0.21 -0.51 4.01 3.65 1mv5B1 GLY 1404 HA3 -0.00 0.09 0.46 -0.51 4.01 4.04 1mv5B1 GLN 1405 H -0.01 0.42 -0.68 -0.55 8.47 7.65 1mv5B1 GLN 1405 HA -0.04 0.04 0.59 -0.75 4.36 4.21 1mv5B1 PRO 1406 HA -0.13 0.05 0.44 -0.51 4.44 4.29 1mv5B1 PRO 1406 HB2 -0.10 0.00 -0.10 -0.04 2.28 2.04 1mv5B1 PRO 1406 HB3 -0.11 -0.05 0.09 -0.04 2.02 1.91 1mv5B1 PRO 1406 HG2 -0.06 0.03 0.04 -0.04 2.03 2.01 1mv5B1 PRO 1406 HG3 -0.07 0.04 0.05 -0.04 2.03 2.02 1mv5B1 PRO 1406 HD2 -0.05 0.06 0.19 -0.04 3.68 3.84 1mv5B1 PRO 1406 HD3 -0.05 0.34 0.27 -0.04 3.65 4.17 1mv5B1 ILE 1407 H -0.26 0.50 0.40 -0.55 8.25 8.34 1mv5B1 ILE 1407 HA -0.57 0.11 0.58 -0.75 4.18 3.54 1mv5B1 ILE 1407 HB -0.50 0.01 0.24 -0.04 1.89 1.60 1mv5B1 ILE 1407 HG12 -1.14 -0.00 0.03 -0.04 1.49 0.33 1mv5B1 ILE 1407 HG13 -0.40 -0.01 -0.00 -0.04 1.21 0.75 1mv5B1 ILE 1407 HG23 -1.72 0.01 0.02 -0.04 0.93 -0.79 1mv5B1 ILE 1407 HD13 -0.36 -0.00 -0.05 -0.04 0.88 0.42 1mv5B1 ASP 1408 H -0.21 0.04 -0.06 -0.55 8.40 7.63 1mv5B1 ASP 1408 HA -0.17 0.21 0.48 -0.75 4.63 4.39 1mv5B1 ASP 1408 HB2 -0.11 -0.03 0.16 -0.04 2.71 2.69 1mv5B1 ASP 1408 HB3 -0.09 0.02 0.21 -0.04 2.70 2.80 1mv5B1 ASN 1409 H -0.16 0.35 -1.08 -0.55 8.53 7.11 1mv5B1 ASN 1409 HA -0.06 0.14 0.81 -0.75 4.76 4.90 1mv5B1 ASN 1409 HB2 -0.08 0.24 -0.14 -0.04 2.88 2.86 1mv5B1 ASN 1409 HB3 -0.04 -0.05 0.11 -0.04 2.79 2.77 1mv5B1 ASN 1409 HD21 -0.04 -0.04 -0.05 -0.04 7.03 6.85 1mv5B1 ASN 1409 HD22 -0.04 0.02 0.06 -0.04 7.74 7.74 1mv5B1 ILE 1410 H -0.11 0.37 0.13 -0.55 8.25 8.10 1mv5B1 ILE 1410 HA 0.00 0.08 0.63 -0.75 4.18 4.13 1mv5B1 ILE 1410 HB -0.05 0.16 0.21 -0.04 1.89 2.16 1mv5B1 ILE 1410 HG12 0.03 -0.02 0.15 -0.04 1.49 1.61 1mv5B1 ILE 1410 HG13 -0.02 0.10 -0.14 -0.04 1.21 1.12 1mv5B1 ILE 1410 HG23 0.15 0.01 0.09 -0.04 0.93 1.15 1mv5B1 ILE 1410 HD13 0.14 -0.01 0.01 -0.04 0.88 0.97 1mv5B1 SER 1411 H 0.04 0.07 0.11 -0.55 8.46 8.13 1mv5B1 SER 1411 HA 0.02 0.19 0.60 -0.75 4.49 4.54 1mv5B1 SER 1411 HB2 0.03 -0.14 0.17 -0.04 3.95 3.97 1mv5B1 SER 1411 HB3 0.02 0.12 0.12 -0.04 3.93 4.15 1mv5B1 LEU 1412 H 0.03 0.15 0.17 -0.55 8.37 8.17 1mv5B1 LEU 1412 HA 0.07 0.23 0.47 -0.75 4.35 4.36 1mv5B1 LEU 1412 HB2 0.03 -0.01 0.05 -0.04 1.64 1.67 1mv5B1 LEU 1412 HB3 0.04 0.07 0.13 -0.04 1.64 1.84 1mv5B1 LEU 1412 HG 0.02 -0.05 0.09 -0.04 1.64 1.66 1mv5B1 LEU 1412 HD13 0.02 0.01 0.02 -0.04 0.93 0.94 1mv5B1 LEU 1412 HD23 0.02 0.02 -0.08 -0.04 0.89 0.82 1mv5B1 GLU 1413 H 0.05 0.01 -0.19 -0.55 8.60 7.93 1mv5B1 GLU 1413 HA 0.04 0.21 0.98 -0.75 4.29 4.77 1mv5B1 GLU 1413 HB2 0.03 -0.02 0.08 -0.04 2.09 2.14 1mv5B1 GLU 1413 HB3 0.02 0.08 0.20 -0.04 1.99 2.25 1mv5B1 GLU 1413 HG2 0.02 0.11 -0.06 -0.04 2.34 2.38 1mv5B1 GLU 1413 HG3 0.03 -0.11 -0.38 -0.04 2.34 1.84 1mv5B1 ASN 1414 H 0.11 -0.09 -0.06 -0.55 8.53 7.93 1mv5B1 ASN 1414 HA 0.03 0.26 0.79 -0.75 4.76 5.08 1mv5B1 ASN 1414 HB2 0.11 -0.10 0.05 -0.04 2.88 2.90 1mv5B1 ASN 1414 HB3 0.09 0.09 0.00 -0.04 2.79 2.93 1mv5B1 ASN 1414 HD21 0.03 0.04 -0.03 -0.04 7.03 7.03 1mv5B1 ASN 1414 HD22 0.05 -0.04 -0.01 -0.04 7.74 7.70 1mv5B1 TRP 1415 H 0.23 0.00 0.07 -0.55 7.97 7.73 1mv5B1 TRP 1415 HA -0.02 0.10 0.38 -0.75 4.62 4.33 1mv5B1 TRP 1415 HB2 -0.03 0.02 0.12 -0.04 3.23 3.30 1mv5B1 TRP 1415 HB3 -0.04 0.03 0.09 -0.04 3.23 3.28 1mv5B1 TRP 1415 HD1 -0.09 0.02 -0.17 -0.04 7.22 6.94 1mv5B1 TRP 1415 HE1 -0.10 0.39 -0.01 -0.04 10.20 10.44 1mv5B1 TRP 1415 HE3 -0.02 -0.05 0.02 -0.04 7.59 7.50 1mv5B1 TRP 1415 HZ2 -0.04 0.03 -0.02 -0.04 7.44 7.37 1mv5B1 TRP 1415 HZ3 -0.01 0.01 -0.03 -0.04 7.13 7.06 1mv5B1 TRP 1415 HH2 -0.01 -0.03 -0.08 -0.04 7.19 7.03 1mv5B1 ARG 1416 H 0.08 0.01 -0.15 -0.55 8.46 7.84 1mv5B1 ARG 1416 HA -0.23 0.14 0.37 -0.75 4.34 3.86 1mv5B1 ARG 1416 HB2 0.01 -0.06 0.16 -0.04 1.90 1.96 1mv5B1 ARG 1416 HB3 -0.04 0.05 0.03 -0.04 1.80 1.80 1mv5B1 ARG 1416 HG2 -0.07 0.09 0.02 -0.04 1.67 1.67 1mv5B1 ARG 1416 HG3 0.06 -0.03 0.05 -0.04 1.67 1.72 1mv5B1 ARG 1416 HD2 0.03 0.09 0.11 -0.04 3.22 3.41 1mv5B1 ARG 1416 HD3 0.02 -0.04 0.02 -0.04 3.22 3.18 1mv5B1 SER 1417 H -0.03 -0.06 -0.22 -0.55 8.46 7.60 1mv5B1 SER 1417 HA -0.04 0.19 0.24 -0.75 4.49 4.13 1mv5B1 SER 1417 HB2 0.01 0.10 -0.02 -0.04 3.95 4.00 1mv5B1 SER 1417 HB3 0.00 -0.05 0.03 -0.04 3.93 3.87 1mv5B1 GLN 1418 H -0.05 0.18 -0.17 -0.55 8.47 7.89 1mv5B1 GLN 1418 HA -0.01 0.28 0.70 -0.75 4.36 4.57 1mv5B1 GLN 1418 HB2 -0.02 0.08 0.18 -0.04 2.15 2.36 1mv5B1 GLN 1418 HB3 -0.01 -0.02 0.01 -0.04 2.02 1.95 1mv5B1 GLN 1418 HG2 0.01 0.09 -0.01 -0.04 2.40 2.45 1mv5B1 GLN 1418 HG3 0.01 -0.09 0.07 -0.04 2.39 2.34 1mv5B1 GLN 1418 HE21 0.02 -0.06 0.03 -0.04 6.97 6.92 1mv5B1 GLN 1418 HE22 0.02 0.03 0.04 -0.04 7.69 7.74 1mv5B1 ILE 1419 H -0.18 0.29 0.11 -0.55 8.25 7.92 1mv5B1 ILE 1419 HA -0.17 -0.21 0.75 -0.75 4.18 3.79 1mv5B1 ILE 1419 HB -0.47 0.07 0.21 -0.04 1.89 1.65 1mv5B1 ILE 1419 HG12 -0.04 -0.02 -0.04 -0.04 1.49 1.36 1mv5B1 ILE 1419 HG13 -0.03 -0.01 -0.09 -0.04 1.21 1.05 1mv5B1 ILE 1419 HG23 -0.41 -0.01 -0.07 -0.04 0.93 0.40 1mv5B1 ILE 1419 HD13 0.22 -0.02 -0.05 -0.04 0.88 0.99 1mv5B1 GLY 1420 H -0.51 0.43 0.08 -0.55 8.43 7.89 1mv5B1 GLY 1420 HA2 -0.50 -0.11 0.44 -0.51 4.01 3.33 1mv5B1 GLY 1420 HA3 -0.54 0.03 0.42 -0.51 4.01 3.41 1mv5B1 PHE 1421 H -0.13 0.18 0.26 -0.55 8.34 8.09 1mv5B1 PHE 1421 HA -0.15 0.21 0.80 -0.75 4.62 4.72 1mv5B1 PHE 1421 HB2 -0.16 0.20 -0.30 -0.04 3.15 2.85 1mv5B1 PHE 1421 HB3 -0.16 -0.08 0.15 -0.04 3.06 2.93 1mv5B1 PHE 1421 HD2 -0.10 0.02 -0.14 -0.04 7.28 7.02 1mv5B1 PHE 1421 HE2 -0.07 -0.09 -0.10 -0.04 7.38 7.08 1mv5B1 PHE 1421 HZ -0.08 -0.10 0.02 -0.04 7.32 7.12 1mv5B1 VAL 1422 H -1.26 0.35 0.08 -0.55 8.24 6.87 1mv5B1 VAL 1422 HA -0.18 0.27 0.91 -0.75 4.13 4.38 1mv5B1 VAL 1422 HB -0.26 -0.03 0.02 -0.04 2.12 1.81 1mv5B1 VAL 1422 HG13 -0.05 0.05 -0.08 -0.04 0.97 0.85 1mv5B1 VAL 1422 HG23 -0.16 -0.01 -0.24 -0.04 0.95 0.51 1mv5B1 SER 1423 H 0.00 0.55 0.26 -0.55 8.46 8.73 1mv5B1 SER 1423 HA 0.19 0.05 0.45 -0.75 4.49 4.43 1mv5B1 SER 1423 HB2 0.05 -0.14 0.04 -0.04 3.95 3.85 1mv5B1 SER 1423 HB3 0.11 0.07 0.11 -0.04 3.93 4.18 1mv5B1 GLN 1424 H -0.01 0.15 0.19 -0.55 8.47 8.25 1mv5B1 GLN 1424 HA -0.10 0.38 0.99 -0.75 4.36 4.88 1mv5B1 GLN 1424 HB2 -0.04 -0.11 0.06 -0.04 2.15 2.02 1mv5B1 GLN 1424 HB3 -0.08 -0.02 0.10 -0.04 2.02 1.98 1mv5B1 GLN 1424 HG2 -0.19 0.13 0.02 -0.04 2.40 2.32 1mv5B1 GLN 1424 HG3 -0.12 0.02 0.15 -0.04 2.39 2.41 1mv5B1 GLN 1424 HE21 0.03 0.05 0.00 -0.04 6.97 7.01 1mv5B1 GLN 1424 HE22 -0.03 0.09 0.00 -0.04 7.69 7.71 1mv5B1 ASP 1425 H -0.01 0.09 -0.00 -0.55 8.40 7.93 1mv5B1 ASP 1425 HA -0.02 -0.02 0.41 -0.75 4.63 4.24 1mv5B1 ASP 1425 HB2 -0.01 0.08 -0.06 -0.04 2.71 2.68 1mv5B1 ASP 1425 HB3 -0.01 -0.05 0.01 -0.04 2.70 2.61 1mv5B1 SER 1426 H -0.03 0.29 0.04 -0.55 8.46 8.22 1mv5B1 SER 1426 HA -0.03 0.01 0.53 -0.75 4.49 4.24 1mv5B1 SER 1426 HB2 -0.03 0.00 0.11 -0.04 3.95 4.00 1mv5B1 SER 1426 HB3 -0.02 -0.09 0.03 -0.04 3.93 3.81 1mv5B1 ALA 1427 H -0.05 0.26 -0.36 -0.55 8.40 7.70 1mv5B1 ALA 1427 HA -0.07 0.07 0.27 -0.75 4.34 3.87 1mv5B1 ALA 1427 HB3 -0.10 -0.00 -0.03 -0.04 1.41 1.24 1mv5B1 ILE 1428 H -0.06 -0.01 -0.43 -0.55 8.25 7.19 1mv5B1 ILE 1428 HA -0.06 -0.15 0.29 -0.75 4.18 3.50 1mv5B1 ILE 1428 HB -0.05 0.15 0.24 -0.04 1.89 2.19 1mv5B1 ILE 1428 HG12 -0.04 -0.13 -0.03 -0.04 1.49 1.25 1mv5B1 ILE 1428 HG13 -0.04 0.27 -0.30 -0.04 1.21 1.09 1mv5B1 ILE 1428 HG23 -0.04 -0.03 -0.06 -0.04 0.93 0.76 1mv5B1 ILE 1428 HD13 -0.03 -0.02 -0.01 -0.04 0.88 0.78 1mv5B1 MET 1429 H -0.07 0.05 0.04 -0.55 8.47 7.95 1mv5B1 MET 1429 HA -0.10 0.26 0.75 -0.75 4.52 4.68 1mv5B1 MET 1429 HB2 -0.07 -0.06 -0.05 -0.04 2.15 1.93 1mv5B1 MET 1429 HB3 -0.10 0.02 0.01 -0.04 2.03 1.92 1mv5B1 MET 1429 HG2 -0.13 -0.01 -0.70 -0.04 2.63 1.75 1mv5B1 MET 1429 HG3 -0.09 -0.05 -0.16 -0.04 2.56 2.22 1mv5B1 MET 1429 HE3 -0.08 0.00 -0.01 -0.04 2.10 1.97 1mv5B1 ALA 1430 H -0.05 0.34 0.12 -0.55 8.40 8.26 1mv5B1 ALA 1430 HA -0.02 0.18 0.48 -0.75 4.34 4.23 1mv5B1 ALA 1430 HB3 -0.02 0.00 0.04 -0.04 1.41 1.39 1mv5B1 GLY 1431 H 0.00 0.51 -0.01 -0.55 8.43 8.38 1mv5B1 GLY 1431 HA2 0.01 0.04 0.34 -0.51 4.01 3.89 1mv5B1 GLY 1431 HA3 0.02 0.06 0.62 -0.51 4.01 4.20 1mv5B1 THR 1432 H 0.02 0.26 0.19 -0.55 8.28 8.19 1mv5B1 THR 1432 HA 0.02 0.46 0.88 -0.75 4.39 4.99 1mv5B1 THR 1432 HB 0.02 -0.22 0.06 -0.04 4.32 4.13 1mv5B1 THR 1432 HG23 0.01 0.00 -0.05 -0.04 1.22 1.14 1mv5B1 ILE 1433 H 0.02 0.52 -0.00 -0.55 8.25 8.23 1mv5B1 ILE 1433 HA 0.02 0.07 0.39 -0.75 4.18 3.90 1mv5B1 ILE 1433 HB -0.01 -0.03 -0.04 -0.04 1.89 1.77 1mv5B1 ILE 1433 HG12 0.11 0.02 -0.10 -0.04 1.49 1.49 1mv5B1 ILE 1433 HG13 0.05 0.08 -0.19 -0.04 1.21 1.10 1mv5B1 ILE 1433 HG23 0.01 0.00 -0.08 -0.04 0.93 0.82 1mv5B1 ILE 1433 HD13 0.08 -0.03 -0.07 -0.04 0.88 0.81 1mv5B1 ARG 1434 H -0.02 0.20 -0.04 -0.55 8.46 8.05 1mv5B1 ARG 1434 HA -0.09 0.06 0.40 -0.75 4.34 3.96 1mv5B1 ARG 1434 HB2 -0.04 0.55 0.27 -0.04 1.90 2.64 1mv5B1 ARG 1434 HB3 -0.01 -0.13 0.14 -0.04 1.80 1.76 1mv5B1 ARG 1434 HG2 -0.02 -0.02 -0.21 -0.04 1.67 1.39 1mv5B1 ARG 1434 HG3 -0.05 -0.03 -0.02 -0.04 1.67 1.53 1mv5B1 ARG 1434 HD2 0.00 0.03 -0.03 -0.04 3.22 3.19 1mv5B1 ARG 1434 HD3 0.01 -0.00 -0.06 -0.04 3.22 3.14 1mv5B1 GLU 1435 H 0.01 0.03 -0.25 -0.55 8.60 7.83 1mv5B1 GLU 1435 HA 0.02 0.10 0.30 -0.75 4.29 3.96 1mv5B1 GLU 1435 HB2 0.03 -0.12 0.10 -0.04 2.09 2.06 1mv5B1 GLU 1435 HB3 0.06 0.08 0.02 -0.04 1.99 2.10 1mv5B1 GLU 1435 HG2 0.02 0.06 -0.01 -0.04 2.34 2.37 1mv5B1 GLU 1435 HG3 0.02 -0.06 -0.01 -0.04 2.34 2.25 1mv5B1 ASN 1436 H 0.02 0.44 -0.26 -0.55 8.53 8.17 1mv5B1 ASN 1436 HA 0.04 0.08 0.40 -0.75 4.76 4.53 1mv5B1 ASN 1436 HB2 0.00 0.09 0.09 -0.04 2.88 3.01 1mv5B1 ASN 1436 HB3 -0.02 -0.02 -0.06 -0.04 2.79 2.66 1mv5B1 ASN 1436 HD21 -0.01 -0.23 -0.26 -0.04 7.03 6.49 1mv5B1 ASN 1436 HD22 -0.00 0.04 -0.24 -0.04 7.74 7.49 1mv5B1 LEU 1437 H -0.01 0.34 -0.21 -0.55 8.37 7.94 1mv5B1 LEU 1437 HA -0.02 0.06 0.32 -0.75 4.35 3.96 1mv5B1 LEU 1437 HB2 -0.05 0.08 0.15 -0.04 1.64 1.77 1mv5B1 LEU 1437 HB3 -0.11 0.07 0.03 -0.04 1.64 1.59 1mv5B1 LEU 1437 HG -0.11 0.05 -0.02 -0.04 1.64 1.52 1mv5B1 LEU 1437 HD13 -0.01 -0.03 0.02 -0.04 0.93 0.87 1mv5B1 LEU 1437 HD23 -0.16 -0.03 -0.06 -0.04 0.89 0.61 1mv5B1 THR 1438 H -0.01 0.18 -0.41 -0.55 8.28 7.49 1mv5B1 THR 1438 HA -0.12 0.08 0.46 -0.75 4.39 4.06 1mv5B1 THR 1438 HB -0.01 0.18 0.05 -0.04 4.32 4.49 1mv5B1 THR 1438 HG23 0.03 -0.02 -0.07 -0.04 1.22 1.11 1mv5B1 TYR 1439 H 0.14 0.25 -0.41 -0.55 8.29 7.72 1mv5B1 TYR 1439 HA 0.00 -0.15 0.24 -0.75 4.56 3.90 1mv5B1 TYR 1439 HB2 -0.01 0.11 0.20 -0.04 3.06 3.31 1mv5B1 TYR 1439 HB3 -0.01 0.04 0.14 -0.04 2.98 3.11 1mv5B1 TYR 1439 HD2 -0.01 0.02 -0.07 -0.04 7.15 7.06 1mv5B1 TYR 1439 HE2 -0.01 -0.01 -0.03 -0.04 6.85 6.76 1mv5B1 GLY 1440 H -0.19 0.03 0.15 -0.55 8.43 7.87 1mv5B1 GLY 1440 HA2 -0.11 -0.08 0.34 -0.51 4.01 3.66 1mv5B1 GLY 1440 HA3 -0.11 0.05 0.42 -0.51 4.01 3.86 1mv5B1 LEU 1441 H 0.05 0.19 0.06 -0.55 8.37 8.12 1mv5B1 LEU 1441 HA 0.08 0.27 0.69 -0.75 4.35 4.63 1mv5B1 LEU 1441 HB2 0.31 -0.12 0.02 -0.04 1.64 1.81 1mv5B1 LEU 1441 HB3 0.24 0.05 -0.02 -0.04 1.64 1.87 1mv5B1 LEU 1441 HG 0.06 0.15 -0.33 -0.04 1.64 1.48 1mv5B1 LEU 1441 HD13 -0.13 0.03 -0.02 -0.04 0.93 0.77 1mv5B1 LEU 1441 HD23 0.08 0.03 -0.24 -0.04 0.89 0.72 1mv5B1 GLU 1442 H 0.05 0.00 0.01 -0.55 8.60 8.12 1mv5B1 GLU 1442 HA 0.01 -0.04 0.23 -0.75 4.29 3.74 1mv5B1 GLU 1442 HB2 0.02 0.19 -0.20 -0.04 2.09 2.06 1mv5B1 GLU 1442 HB3 0.01 0.05 0.28 -0.04 1.99 2.29 1mv5B1 GLU 1442 HG2 -0.00 -0.07 0.15 -0.04 2.34 2.39 1mv5B1 GLU 1442 HG3 0.00 -0.05 0.03 -0.04 2.34 2.29 1mv5B1 GLY 1443 H 0.05 0.10 -0.02 -0.55 8.43 8.03 1mv5B1 GLY 1443 HA2 -0.05 0.17 0.79 -0.51 4.01 4.41 1mv5B1 GLY 1443 HA3 -0.13 0.09 0.25 -0.51 4.01 3.71 1mv5B1 ASP 1444 H -0.12 0.16 0.17 -0.55 8.40 8.07 1mv5B1 ASP 1444 HA 0.02 0.11 0.79 -0.75 4.63 4.80 1mv5B1 ASP 1444 HB2 -0.05 0.01 0.09 -0.04 2.71 2.72 1mv5B1 ASP 1444 HB3 -0.01 0.01 0.12 -0.04 2.70 2.77 1mv5B1 TYR 1445 H 0.12 0.11 0.12 -0.55 8.29 8.09 1mv5B1 TYR 1445 HA 0.00 0.36 1.20 -0.75 4.56 5.37 1mv5B1 TYR 1445 HB2 -0.01 0.00 -0.03 -0.04 3.06 2.98 1mv5B1 TYR 1445 HB3 -0.02 -0.04 -0.03 -0.04 2.98 2.85 1mv5B1 TYR 1445 HD2 -0.00 -0.11 -0.10 -0.04 7.15 6.89 1mv5B1 TYR 1445 HE2 0.01 0.00 -0.08 -0.04 6.85 6.74 1mv5B1 THR 1446 H 0.34 0.28 0.16 -0.55 8.28 8.51 1mv5B1 THR 1446 HA 0.09 0.25 1.00 -0.75 4.39 4.97 1mv5B1 THR 1446 HB 0.10 -0.31 0.08 -0.04 4.32 4.16 1mv5B1 THR 1446 HG23 0.07 -0.02 0.05 -0.04 1.22 1.27 1mv5B1 ASP 1447 H 0.09 0.28 0.17 -0.55 8.40 8.39 1mv5B1 ASP 1447 HA -0.04 0.12 0.42 -0.75 4.63 4.38 1mv5B1 ASP 1447 HB2 0.18 0.01 0.15 -0.04 2.71 3.01 1mv5B1 ASP 1447 HB3 0.33 0.07 0.06 -0.04 2.70 3.11 1mv5B1 GLU 1448 H 0.15 0.11 -0.07 -0.55 8.60 8.25 1mv5B1 GLU 1448 HA 0.28 0.11 0.30 -0.75 4.29 4.23 1mv5B1 GLU 1448 HB2 0.09 -0.01 0.03 -0.04 2.09 2.17 1mv5B1 GLU 1448 HB3 0.09 0.09 -0.00 -0.04 1.99 2.13 1mv5B1 GLU 1448 HG2 0.12 0.00 -0.00 -0.04 2.34 2.42 1mv5B1 GLU 1448 HG3 0.09 -0.02 0.04 -0.04 2.34 2.41 1mv5B1 ASP 1449 H 0.11 0.01 -0.37 -0.55 8.40 7.60 1mv5B1 ASP 1449 HA 0.08 0.15 0.55 -0.75 4.63 4.65 1mv5B1 ASP 1449 HB2 0.18 -0.11 0.19 -0.04 2.71 2.93 1mv5B1 ASP 1449 HB3 0.21 0.11 -0.00 -0.04 2.70 2.98 1mv5B1 LEU 1450 H 0.02 0.46 -0.14 -0.55 8.37 8.17 1mv5B1 LEU 1450 HA -0.13 0.11 0.40 -0.75 4.35 3.98 1mv5B1 LEU 1450 HB2 -0.33 0.06 0.17 -0.04 1.64 1.51 1mv5B1 LEU 1450 HB3 -0.44 -0.07 -0.02 -0.04 1.64 1.08 1mv5B1 LEU 1450 HG -0.06 0.19 -0.05 -0.04 1.64 1.67 1mv5B1 LEU 1450 HD13 -0.20 -0.02 -0.08 -0.04 0.93 0.59 1mv5B1 LEU 1450 HD23 -0.31 0.01 -0.09 -0.04 0.89 0.45 1mv5B1 TRP 1451 H 0.13 0.38 -0.16 -0.55 7.97 7.77 1mv5B1 TRP 1451 HA -0.03 0.02 0.70 -0.75 4.62 4.56 1mv5B1 TRP 1451 HB2 -0.01 0.04 0.10 -0.04 3.23 3.32 1mv5B1 TRP 1451 HB3 -0.03 -0.01 0.05 -0.04 3.23 3.19 1mv5B1 TRP 1451 HD1 -0.00 -0.10 -0.38 -0.04 7.22 6.69 1mv5B1 TRP 1451 HE1 -0.01 -0.02 -0.09 -0.04 10.20 10.05 1mv5B1 TRP 1451 HE3 -0.06 -0.06 0.03 -0.04 7.59 7.46 1mv5B1 TRP 1451 HZ2 -0.03 0.04 -0.19 -0.04 7.44 7.22 1mv5B1 TRP 1451 HZ3 -0.12 -0.05 -0.04 -0.04 7.13 6.88 1mv5B1 TRP 1451 HH2 -0.07 -0.03 -0.28 -0.04 7.19 6.77 1mv5B1 GLN 1452 H 0.12 0.26 -0.43 -0.55 8.47 7.87 1mv5B1 GLN 1452 HA 0.06 0.02 0.28 -0.75 4.36 3.96 1mv5B1 GLN 1452 HB2 0.05 0.09 0.26 -0.04 2.15 2.51 1mv5B1 GLN 1452 HB3 0.00 0.03 0.08 -0.04 2.02 2.09 1mv5B1 GLN 1452 HG2 0.03 -0.03 0.06 -0.04 2.40 2.41 1mv5B1 GLN 1452 HG3 0.07 0.03 0.10 -0.04 2.39 2.55 1mv5B1 GLN 1452 HE21 0.03 -0.03 -0.04 -0.04 6.97 6.89 1mv5B1 GLN 1452 HE22 0.04 -0.03 -0.01 -0.04 7.69 7.64 1mv5B1 VAL 1453 H -0.01 0.24 -0.47 -0.55 8.24 7.46 1mv5B1 VAL 1453 HA -0.17 0.14 0.49 -0.75 4.13 3.84 1mv5B1 VAL 1453 HB -0.04 0.03 0.08 -0.04 2.12 2.15 1mv5B1 VAL 1453 HG13 0.06 0.00 -0.09 -0.04 0.97 0.90 1mv5B1 VAL 1453 HG23 -0.01 0.03 -0.09 -0.04 0.95 0.83 1mv5B1 LEU 1454 H 0.00 0.38 -0.18 -0.55 8.37 8.03 1mv5B1 LEU 1454 HA 0.04 0.10 0.56 -0.75 4.35 4.29 1mv5B1 LEU 1454 HB2 0.07 0.12 0.14 -0.04 1.64 1.93 1mv5B1 LEU 1454 HB3 -0.02 -0.20 -0.06 -0.04 1.64 1.32 1mv5B1 LEU 1454 HG -0.19 0.22 0.07 -0.04 1.64 1.69 1mv5B1 LEU 1454 HD13 -0.74 -0.03 -0.08 -0.04 0.93 0.04 1mv5B1 LEU 1454 HD23 -0.10 -0.01 -0.04 -0.04 0.89 0.69 1mv5B1 ASP 1455 H 0.08 0.45 -0.21 -0.55 8.40 8.18 1mv5B1 ASP 1455 HA 0.07 -0.04 0.55 -0.75 4.63 4.46 1mv5B1 ASP 1455 HB2 0.03 0.20 0.07 -0.04 2.71 2.97 1mv5B1 ASP 1455 HB3 0.00 -0.00 0.01 -0.04 2.70 2.67 1mv5B1 LEU 1456 H -0.01 0.23 -0.20 -0.55 8.37 7.84 1mv5B1 LEU 1456 HA 0.12 0.08 0.44 -0.75 4.35 4.24 1mv5B1 LEU 1456 HB2 -0.24 0.24 0.23 -0.04 1.64 1.83 1mv5B1 LEU 1456 HB3 -0.66 0.07 0.08 -0.04 1.64 1.09 1mv5B1 LEU 1456 HG -1.09 0.03 -0.01 -0.04 1.64 0.52 1mv5B1 LEU 1456 HD13 -0.08 -0.01 0.04 -0.04 0.93 0.84 1mv5B1 LEU 1456 HD23 -0.53 0.01 -0.02 -0.04 0.89 0.31 1mv5B1 ALA 1457 H 0.12 0.07 -0.45 -0.55 8.40 7.59 1mv5B1 ALA 1457 HA 0.28 0.14 0.53 -0.75 4.34 4.53 1mv5B1 ALA 1457 HB3 0.21 -0.01 0.08 -0.04 1.41 1.65 1mv5B1 PHE 1458 H 0.41 0.04 -0.63 -0.55 8.34 7.61 1mv5B1 PHE 1458 HA 0.05 0.04 0.36 -0.75 4.62 4.31 1mv5B1 PHE 1458 HB2 0.08 0.16 0.36 -0.04 3.15 3.71 1mv5B1 PHE 1458 HB3 0.06 -0.11 0.18 -0.04 3.06 3.15 1mv5B1 PHE 1458 HD2 0.04 -0.03 -0.23 -0.04 7.28 7.03 1mv5B1 PHE 1458 HE2 0.03 -0.01 -0.01 -0.04 7.38 7.35 1mv5B1 PHE 1458 HZ 0.04 -0.01 -0.02 -0.04 7.32 7.28 1mv5B1 ALA 1459 H 0.15 0.89 0.34 -0.55 8.40 9.24 1mv5B1 ALA 1459 HA 0.26 0.15 0.81 -0.75 4.34 4.81 1mv5B1 ALA 1459 HB3 0.20 0.02 -0.01 -0.04 1.41 1.58 1mv5B1 ARG 1460 H 0.07 0.25 0.10 -0.55 8.46 8.32 1mv5B1 ARG 1460 HA 0.09 0.01 0.09 -0.75 4.34 3.78 1mv5B1 ARG 1460 HB2 0.10 0.05 -0.04 -0.04 1.90 1.97 1mv5B1 ARG 1460 HB3 0.04 0.06 0.01 -0.04 1.80 1.88 1mv5B1 ARG 1460 HG2 0.15 -0.03 0.16 -0.04 1.67 1.91 1mv5B1 ARG 1460 HG3 0.40 -0.00 0.01 -0.04 1.67 2.04 1mv5B1 ARG 1460 HD2 0.02 0.03 0.01 -0.04 3.22 3.24 1mv5B1 ARG 1460 HD3 -0.03 0.02 0.00 -0.04 3.22 3.17 1mv5B1 SER 1461 H -0.11 0.18 -0.59 -0.55 8.46 7.40 1mv5B1 SER 1461 HA -0.00 0.36 1.20 -0.75 4.49 5.29 1mv5B1 SER 1461 HB2 0.05 0.05 -0.13 -0.04 3.95 3.88 1mv5B1 SER 1461 HB3 0.03 0.06 -0.15 -0.04 3.93 3.82 1mv5B1 PHE 1462 H 0.06 0.17 0.12 -0.55 8.34 8.14 1mv5B1 PHE 1462 HA 0.05 0.10 0.42 -0.75 4.62 4.43 1mv5B1 PHE 1462 HB2 0.03 0.04 0.11 -0.04 3.15 3.29 1mv5B1 PHE 1462 HB3 0.04 0.01 0.14 -0.04 3.06 3.21 1mv5B1 PHE 1462 HD2 0.04 -0.00 -0.02 -0.04 7.28 7.26 1mv5B1 PHE 1462 HE2 0.02 0.01 0.05 -0.04 7.38 7.43 1mv5B1 PHE 1462 HZ 0.01 0.01 -0.00 -0.04 7.32 7.30 1mv5B1 VAL 1463 H -0.84 0.19 -0.32 -0.55 8.24 6.72 1mv5B1 VAL 1463 HA -0.04 -0.01 0.22 -0.75 4.13 3.54 1mv5B1 VAL 1463 HB 0.09 0.06 -0.05 -0.04 2.12 2.17 1mv5B1 VAL 1463 HG13 -0.28 -0.01 -0.04 -0.04 0.97 0.60 1mv5B1 VAL 1463 HG23 -0.81 0.09 -0.03 -0.04 0.95 0.16 1mv5B1 GLU 1464 H 0.07 0.18 -0.33 -0.55 8.60 7.97 1mv5B1 GLU 1464 HA 0.12 -0.02 0.16 -0.75 4.29 3.80 1mv5B1 GLU 1464 HB2 0.01 0.23 0.31 -0.04 2.09 2.60 1mv5B1 GLU 1464 HB3 -0.02 -0.02 0.11 -0.04 1.99 2.01 1mv5B1 GLU 1464 HG2 -0.21 -0.03 0.08 -0.04 2.34 2.13 1mv5B1 GLU 1464 HG3 -0.19 -0.09 0.06 -0.04 2.34 2.08 1mv5B1 ASN 1465 H 0.07 0.23 -0.95 -0.55 8.53 7.34 1mv5B1 ASN 1465 HA 0.04 0.22 1.16 -0.75 4.76 5.43 1mv5B1 ASN 1465 HB2 0.08 0.00 0.07 -0.04 2.88 3.00 1mv5B1 ASN 1465 HB3 0.05 -0.08 0.00 -0.04 2.79 2.73 1mv5B1 ASN 1465 HD21 0.02 -0.06 -0.10 -0.04 7.03 6.85 1mv5B1 ASN 1465 HD22 0.02 0.04 0.02 -0.04 7.74 7.78 1mv5B1 MET 1466 H 0.10 0.46 0.24 -0.55 8.47 8.72 1mv5B1 MET 1466 HA 0.06 0.07 0.55 -0.75 4.52 4.45 1mv5B1 MET 1466 HB2 0.10 -0.13 0.27 -0.04 2.15 2.35 1mv5B1 MET 1466 HB3 0.08 -0.03 0.10 -0.04 2.03 2.14 1mv5B1 MET 1466 HG2 0.10 -0.01 0.11 -0.04 2.63 2.79 1mv5B1 MET 1466 HG3 0.16 0.38 0.22 -0.04 2.56 3.27 1mv5B1 MET 1466 HE3 0.28 -0.04 -0.23 -0.04 2.10 2.07 1mv5B1 PRO 1467 HA 0.06 0.07 0.40 -0.51 4.44 4.46 1mv5B1 PRO 1467 HB2 0.03 -0.01 0.15 -0.04 2.28 2.40 1mv5B1 PRO 1467 HB3 0.03 0.04 0.15 -0.04 2.02 2.20 1mv5B1 PRO 1467 HG2 0.03 -0.02 0.13 -0.04 2.03 2.12 1mv5B1 PRO 1467 HG3 0.03 0.23 0.16 -0.04 2.03 2.41 1mv5B1 PRO 1467 HD2 0.04 0.00 0.16 -0.04 3.68 3.84 1mv5B1 PRO 1467 HD3 0.04 0.18 0.47 -0.04 3.65 4.31 1mv5B1 ASP 1468 H 0.06 0.27 -0.14 -0.55 8.40 8.04 1mv5B1 ASP 1468 HA 0.05 0.24 0.59 -0.75 4.63 4.75 1mv5B1 ASP 1468 HB2 0.04 -0.12 -0.09 -0.04 2.71 2.50 1mv5B1 ASP 1468 HB3 0.04 -0.02 -0.02 -0.04 2.70 2.66 1mv5B1 GLN 1469 H 0.08 0.14 0.24 -0.55 8.47 8.40 1mv5B1 GLN 1469 HA 0.10 -0.03 0.47 -0.75 4.36 4.15 1mv5B1 GLN 1469 HB2 0.27 0.10 -0.01 -0.04 2.15 2.47 1mv5B1 GLN 1469 HB3 0.14 0.10 0.03 -0.04 2.02 2.25 1mv5B1 GLN 1469 HG2 0.17 -0.04 -0.11 -0.04 2.40 2.38 1mv5B1 GLN 1469 HG3 0.47 -0.05 -0.21 -0.04 2.39 2.56 1mv5B1 GLN 1469 HE21 -0.18 0.03 -0.06 -0.04 6.97 6.71 1mv5B1 GLN 1469 HE22 0.07 -0.05 -0.09 -0.04 7.69 7.58 1mv5B1 LEU 1470 H 0.02 0.12 0.13 -0.55 8.37 8.09 1mv5B1 LEU 1470 HA -0.15 -0.01 0.32 -0.75 4.35 3.76 1mv5B1 LEU 1470 HB2 -0.04 -0.04 -0.36 -0.04 1.64 1.16 1mv5B1 LEU 1470 HB3 0.07 0.43 0.42 -0.04 1.64 2.51 1mv5B1 LEU 1470 HG -0.14 -0.05 -0.01 -0.04 1.64 1.41 1mv5B1 LEU 1470 HD13 -0.66 -0.01 -0.05 -0.04 0.93 0.17 1mv5B1 LEU 1470 HD23 0.13 0.00 -0.02 -0.04 0.89 0.96 1mv5B1 ASN 1471 H 0.04 0.95 -0.34 -0.55 8.53 8.63 1mv5B1 ASN 1471 HA 0.01 0.02 0.90 -0.75 4.76 4.93 1mv5B1 ASN 1471 HB2 0.04 0.12 0.06 -0.04 2.88 3.05 1mv5B1 ASN 1471 HB3 0.02 -0.06 0.15 -0.04 2.79 2.86 1mv5B1 ASN 1471 HD21 0.05 -0.04 -0.01 -0.04 7.03 6.99 1mv5B1 ASN 1471 HD22 0.04 0.01 0.02 -0.04 7.74 7.77 1mv5B1 THR 1472 H 0.04 -0.06 -0.29 -0.55 8.28 7.41 1mv5B1 THR 1472 HA 0.04 0.09 0.23 -0.75 4.39 3.99 1mv5B1 THR 1472 HB 0.06 -0.06 -0.06 -0.04 4.32 4.22 1mv5B1 THR 1472 HG23 0.05 0.13 0.01 -0.04 1.22 1.37 1mv5B1 GLU 1473 H 0.03 0.11 0.15 -0.55 8.60 8.34 1mv5B1 GLU 1473 HA 0.02 0.25 0.91 -0.75 4.29 4.71 1mv5B1 GLU 1473 HB2 0.02 -0.06 0.06 -0.04 2.09 2.07 1mv5B1 GLU 1473 HB3 0.01 -0.08 0.01 -0.04 1.99 1.90 1mv5B1 GLU 1473 HG2 0.02 0.11 0.06 -0.04 2.34 2.48 1mv5B1 GLU 1473 HG3 0.02 -0.02 0.02 -0.04 2.34 2.32 1mv5B1 VAL 1474 H 0.01 0.34 -0.04 -0.55 8.24 8.01 1mv5B1 VAL 1474 HA 0.01 0.60 0.70 -0.75 4.13 4.69 1mv5B1 VAL 1474 HB 0.02 -0.15 -0.22 -0.04 2.12 1.72 1mv5B1 VAL 1474 HG13 -0.02 0.01 -0.14 -0.04 0.97 0.78 1mv5B1 VAL 1474 HG23 0.05 0.03 -0.28 -0.04 0.95 0.71 1mv5B1 GLY 1475 H -0.00 0.40 -0.11 -0.55 8.43 8.17 1mv5B1 GLY 1475 HA2 -0.02 0.11 0.17 -0.51 4.01 3.77 1mv5B1 GLY 1475 HA3 -0.01 0.07 0.84 -0.51 4.01 4.40 1mv5B1 GLU 1476 H -0.01 0.21 0.09 -0.55 8.60 8.34 1mv5B1 GLU 1476 HA -0.01 0.09 0.34 -0.75 4.29 3.96 1mv5B1 GLU 1476 HB2 -0.01 -0.00 0.03 -0.04 2.09 2.07 1mv5B1 GLU 1476 HB3 -0.01 0.06 0.09 -0.04 1.99 2.09 1mv5B1 GLU 1476 HG2 -0.01 0.02 0.01 -0.04 2.34 2.31 1mv5B1 GLU 1476 HG3 -0.01 -0.05 0.01 -0.04 2.34 2.25 1mv5B1 ARG 1477 H -0.00 -0.14 -0.80 -0.55 8.46 6.96 1mv5B1 ARG 1477 HA 0.00 0.19 0.66 -0.75 4.34 4.44 1mv5B1 ARG 1477 HB2 0.01 -0.10 0.03 -0.04 1.90 1.79 1mv5B1 ARG 1477 HB3 0.01 0.05 -0.00 -0.04 1.80 1.81 1mv5B1 ARG 1477 HG2 0.00 0.07 -0.12 -0.04 1.67 1.58 1mv5B1 ARG 1477 HG3 0.00 -0.08 -0.11 -0.04 1.67 1.44 1mv5B1 ARG 1477 HD2 0.01 0.02 -0.03 -0.04 3.22 3.18 1mv5B1 ARG 1477 HD3 0.01 0.02 -0.03 -0.04 3.22 3.17 1mv5B1 GLY 1478 H 0.01 0.12 -0.09 -0.55 8.43 7.92 1mv5B1 GLY 1478 HA2 0.01 0.18 0.73 -0.51 4.01 4.42 1mv5B1 GLY 1478 HA3 0.01 0.04 0.11 -0.51 4.01 3.66 1mv5B1 VAL 1479 H 0.01 0.13 0.10 -0.55 8.24 7.93 1mv5B1 VAL 1479 HA 0.02 -0.00 0.40 -0.75 4.13 3.79 1mv5B1 VAL 1479 HB 0.03 0.57 0.36 -0.04 2.12 3.03 1mv5B1 VAL 1479 HG13 0.05 -0.02 0.11 -0.04 0.97 1.07 1mv5B1 VAL 1479 HG23 0.03 -0.05 -0.00 -0.04 0.95 0.89 1mv5B1 LYS 1480 H 0.00 0.02 0.00 -0.55 8.42 7.89 1mv5B1 LYS 1480 HA -0.01 0.04 0.30 -0.75 4.32 3.91 1mv5B1 LYS 1480 HB2 -0.01 -0.01 -0.04 -0.04 1.87 1.76 1mv5B1 LYS 1480 HB3 -0.01 0.04 0.09 -0.04 1.79 1.86 1mv5B1 LYS 1480 HG2 -0.00 0.14 -0.02 -0.04 1.46 1.53 1mv5B1 LYS 1480 HG3 0.00 -0.16 0.09 -0.04 1.46 1.36 1mv5B1 LYS 1480 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.63 1mv5B1 LYS 1480 HD3 -0.01 0.03 0.00 -0.04 1.68 1.66 1mv5B1 LYS 1480 HE2 -0.00 0.08 -0.01 -0.04 2.99 3.02 1mv5B1 LYS 1480 HE3 0.00 -0.04 0.02 -0.04 2.99 2.94 1mv5B1 ILE 1481 H -0.03 0.16 0.13 -0.55 8.25 7.96 1mv5B1 ILE 1481 HA -0.07 0.26 1.01 -0.75 4.18 4.62 1mv5B1 ILE 1481 HB -0.07 -0.03 -0.05 -0.04 1.89 1.69 1mv5B1 ILE 1481 HG12 -0.03 0.01 -0.22 -0.04 1.49 1.20 1mv5B1 ILE 1481 HG13 -0.04 -0.03 -0.01 -0.04 1.21 1.10 1mv5B1 ILE 1481 HG23 -0.13 -0.01 0.04 -0.04 0.93 0.78 1mv5B1 ILE 1481 HD13 -0.04 -0.01 -0.09 -0.04 0.88 0.69 1mv5B1 SER 1482 H -0.11 0.18 0.20 -0.55 8.46 8.18 1mv5B1 SER 1482 HA -0.05 0.24 0.78 -0.75 4.49 4.70 1mv5B1 SER 1482 HB2 -0.04 0.06 0.02 -0.04 3.95 3.96 1mv5B1 SER 1482 HB3 -0.04 0.11 -0.12 -0.04 3.93 3.84 1mv5B1 GLY 1483 H -0.04 0.26 0.11 -0.55 8.43 8.21 1mv5B1 GLY 1483 HA2 -0.05 -0.02 0.45 -0.51 4.01 3.88 1mv5B1 GLY 1483 HA3 -0.03 0.13 0.36 -0.51 4.01 3.96 1mv5B1 GLY 1484 H -0.06 -0.00 0.10 -0.55 8.43 7.92 1mv5B1 GLY 1484 HA2 -0.02 0.05 0.27 -0.51 4.01 3.79 1mv5B1 GLY 1484 HA3 -0.04 0.21 0.66 -0.51 4.01 4.34 1mv5B1 GLN 1485 H -0.13 0.38 0.04 -0.55 8.47 8.22 1mv5B1 GLN 1485 HA -0.27 0.14 0.41 -0.75 4.36 3.89 1mv5B1 GLN 1485 HB2 -0.34 0.04 0.16 -0.04 2.15 1.96 1mv5B1 GLN 1485 HB3 -0.29 0.02 0.30 -0.04 2.02 2.01 1mv5B1 GLN 1485 HG2 -0.89 0.01 -0.09 -0.04 2.40 1.39 1mv5B1 GLN 1485 HG3 -2.27 -0.00 0.09 -0.04 2.39 0.17 1mv5B1 GLN 1485 HE21 -0.11 0.14 -0.01 -0.04 6.97 6.95 1mv5B1 GLN 1485 HE22 -0.57 -0.03 -0.04 -0.04 7.69 7.00 1mv5B1 ARG 1486 H -0.14 0.40 0.13 -0.55 8.46 8.30 1mv5B1 ARG 1486 HA -0.11 0.09 0.23 -0.75 4.34 3.80 1mv5B1 ARG 1486 HB2 -0.07 -0.18 0.07 -0.04 1.90 1.69 1mv5B1 ARG 1486 HB3 -0.06 0.12 -0.03 -0.04 1.80 1.79 1mv5B1 ARG 1486 HG2 -0.08 0.06 -0.00 -0.04 1.67 1.60 1mv5B1 ARG 1486 HG3 -0.09 0.01 -0.13 -0.04 1.67 1.42 1mv5B1 ARG 1486 HD2 -0.05 -0.02 -0.14 -0.04 3.22 2.96 1mv5B1 ARG 1486 HD3 -0.06 0.01 -0.03 -0.04 3.22 3.10 1mv5B1 GLN 1487 H -0.05 -0.04 -0.41 -0.55 8.47 7.42 1mv5B1 GLN 1487 HA -0.02 0.10 0.56 -0.75 4.36 4.24 1mv5B1 GLN 1487 HB2 -0.02 0.10 0.11 -0.04 2.15 2.30 1mv5B1 GLN 1487 HB3 -0.01 -0.01 0.11 -0.04 2.02 2.07 1mv5B1 GLN 1487 HG2 -0.03 0.30 -0.02 -0.04 2.40 2.60 1mv5B1 GLN 1487 HG3 -0.04 -0.27 0.04 -0.04 2.39 2.08 1mv5B1 GLN 1487 HE21 -0.02 0.05 -0.04 -0.04 6.97 6.92 1mv5B1 GLN 1487 HE22 -0.03 -0.00 -0.04 -0.04 7.69 7.58 1mv5B1 ARG 1488 H -0.01 0.45 0.01 -0.55 8.46 8.35 1mv5B1 ARG 1488 HA 0.04 0.06 0.36 -0.75 4.34 4.05 1mv5B1 ARG 1488 HB2 0.14 0.03 0.18 -0.04 1.90 2.21 1mv5B1 ARG 1488 HB3 0.16 0.10 0.06 -0.04 1.80 2.08 1mv5B1 ARG 1488 HG2 0.05 -0.05 0.15 -0.04 1.67 1.78 1mv5B1 ARG 1488 HG3 0.03 0.36 0.21 -0.04 1.67 2.22 1mv5B1 ARG 1488 HD2 0.23 -0.11 0.07 -0.04 3.22 3.37 1mv5B1 ARG 1488 HD3 0.15 0.31 0.10 -0.04 3.22 3.73 1mv5B1 LEU 1489 H 0.03 0.35 -0.31 -0.55 8.37 7.89 1mv5B1 LEU 1489 HA 0.10 0.10 0.61 -0.75 4.35 4.41 1mv5B1 LEU 1489 HB2 0.01 0.15 0.03 -0.04 1.64 1.79 1mv5B1 LEU 1489 HB3 0.04 0.02 -0.05 -0.04 1.64 1.60 1mv5B1 LEU 1489 HG 0.22 0.03 -0.03 -0.04 1.64 1.82 1mv5B1 LEU 1489 HD13 0.13 -0.01 -0.06 -0.04 0.93 0.94 1mv5B1 LEU 1489 HD23 0.16 0.01 0.00 -0.04 0.89 1.01 1mv5B1 ALA 1490 H 0.01 0.26 -0.16 -0.55 8.40 7.97 1mv5B1 ALA 1490 HA 0.01 0.15 0.48 -0.75 4.34 4.23 1mv5B1 ALA 1490 HB3 -0.01 0.02 0.14 -0.04 1.41 1.53 1mv5B1 ILE 1491 H 0.03 0.28 -0.29 -0.55 8.25 7.72 1mv5B1 ILE 1491 HA -0.02 0.07 0.57 -0.75 4.18 4.04 1mv5B1 ILE 1491 HB 0.01 0.07 0.15 -0.04 1.89 2.08 1mv5B1 ILE 1491 HG12 -0.06 0.03 -0.06 -0.04 1.49 1.36 1mv5B1 ILE 1491 HG13 -0.01 -0.14 -0.03 -0.04 1.21 0.99 1mv5B1 ILE 1491 HG23 -0.07 0.01 -0.15 -0.04 0.93 0.68 1mv5B1 ILE 1491 HD13 -0.02 -0.00 -0.16 -0.04 0.88 0.66 1mv5B1 ALA 1492 H 0.07 0.11 -0.31 -0.55 8.40 7.73 1mv5B1 ALA 1492 HA 0.32 0.12 0.44 -0.75 4.34 4.47 1mv5B1 ALA 1492 HB3 0.09 0.02 0.11 -0.04 1.41 1.59 1mv5B1 ARG 1493 H 0.05 0.42 -0.23 -0.55 8.46 8.15 1mv5B1 ARG 1493 HA 0.01 0.09 0.30 -0.75 4.34 3.99 1mv5B1 ARG 1493 HB2 0.07 0.01 0.15 -0.04 1.90 2.08 1mv5B1 ARG 1493 HB3 0.08 0.07 0.00 -0.04 1.80 1.91 1mv5B1 ARG 1493 HG2 0.01 0.25 0.12 -0.04 1.67 2.00 1mv5B1 ARG 1493 HG3 0.01 0.00 0.09 -0.04 1.67 1.74 1mv5B1 ARG 1493 HD2 0.01 0.13 -0.04 -0.04 3.22 3.27 1mv5B1 ARG 1493 HD3 0.00 -0.16 -0.00 -0.04 3.22 3.01 1mv5B1 ALA 1494 H 0.08 0.13 -0.57 -0.55 8.40 7.48 1mv5B1 ALA 1494 HA 0.09 0.05 0.19 -0.75 4.34 3.92 1mv5B1 ALA 1494 HB3 -0.24 0.13 0.10 -0.04 1.41 1.37 1mv5B1 PHE 1495 H 0.02 0.29 -0.28 -0.55 8.34 7.83 1mv5B1 PHE 1495 HA -0.09 0.05 0.27 -0.75 4.62 4.10 1mv5B1 PHE 1495 HB2 -0.03 0.19 0.19 -0.04 3.15 3.47 1mv5B1 PHE 1495 HB3 -0.02 -0.07 -0.01 -0.04 3.06 2.92 1mv5B1 PHE 1495 HD2 -0.04 -0.02 -0.01 -0.04 7.28 7.17 1mv5B1 PHE 1495 HE2 -0.05 0.06 -0.16 -0.04 7.38 7.19 1mv5B1 PHE 1495 HZ -0.06 -0.05 -0.34 -0.04 7.32 6.83 1mv5B1 LEU 1496 H 0.11 0.42 -0.23 -0.55 8.37 8.12 1mv5B1 LEU 1496 HA 0.12 -0.07 0.35 -0.75 4.35 4.00 1mv5B1 LEU 1496 HB2 0.01 0.27 0.20 -0.04 1.64 2.08 1mv5B1 LEU 1496 HB3 0.02 -0.10 0.04 -0.04 1.64 1.57 1mv5B1 LEU 1496 HG -0.02 0.09 -0.01 -0.04 1.64 1.66 1mv5B1 LEU 1496 HD13 -0.32 -0.04 -0.05 -0.04 0.93 0.48 1mv5B1 LEU 1496 HD23 -0.11 -0.05 -0.08 -0.04 0.89 0.62 1mv5B1 ARG 1497 H 0.06 0.40 -0.16 -0.55 8.46 8.21 1mv5B1 ARG 1497 HA 0.08 -0.03 0.36 -0.75 4.34 3.99 1mv5B1 ARG 1497 HB2 0.02 0.12 0.05 -0.04 1.90 2.04 1mv5B1 ARG 1497 HB3 0.11 0.08 0.07 -0.04 1.80 2.02 1mv5B1 ARG 1497 HG2 0.12 -0.06 -0.03 -0.04 1.67 1.66 1mv5B1 ARG 1497 HG3 0.16 0.08 -0.14 -0.04 1.67 1.72 1mv5B1 ARG 1497 HD2 0.60 -0.08 -0.04 -0.04 3.22 3.65 1mv5B1 ARG 1497 HD3 0.20 0.11 0.02 -0.04 3.22 3.51 1mv5B1 ASN 1498 H -0.03 0.30 -0.28 -0.55 8.53 7.98 1mv5B1 ASN 1498 HA -0.04 -0.04 0.18 -0.75 4.76 4.12 1mv5B1 ASN 1498 HB2 0.04 0.09 -0.14 -0.04 2.88 2.83 1mv5B1 ASN 1498 HB3 0.01 0.03 -0.10 -0.04 2.79 2.69 1mv5B1 ASN 1498 HD21 0.02 -0.09 0.02 -0.04 7.03 6.93 1mv5B1 ASN 1498 HD22 0.01 -0.01 -0.02 -0.04 7.74 7.68 1mv5B1 PRO 1499 HA -0.10 0.16 0.30 -0.51 4.44 4.30 1mv5B1 PRO 1499 HB2 -0.41 -0.16 -0.19 -0.04 2.28 1.48 1mv5B1 PRO 1499 HB3 -0.13 0.17 -0.07 -0.04 2.02 1.95 1mv5B1 PRO 1499 HG2 -0.31 -0.13 -0.11 -0.04 2.03 1.44 1mv5B1 PRO 1499 HG3 -0.03 0.30 -0.05 -0.04 2.03 2.21 1mv5B1 PRO 1499 HD2 -0.59 -0.05 -0.19 -0.04 3.68 2.81 1mv5B1 PRO 1499 HD3 -0.22 0.02 -0.42 -0.04 3.65 2.99 1mv5B1 LYS 1500 H -0.09 0.21 0.24 -0.55 8.42 8.22 1mv5B1 LYS 1500 HA -0.04 0.14 0.75 -0.75 4.32 4.41 1mv5B1 LYS 1500 HB2 -0.04 -0.03 0.10 -0.04 1.87 1.86 1mv5B1 LYS 1500 HB3 -0.01 -0.05 0.08 -0.04 1.79 1.77 1mv5B1 LYS 1500 HG2 -0.01 0.03 -0.01 -0.04 1.46 1.43 1mv5B1 LYS 1500 HG3 -0.03 0.07 -0.11 -0.04 1.46 1.36 1mv5B1 LYS 1500 HD2 0.01 -0.02 -0.05 -0.04 1.69 1.59 1mv5B1 LYS 1500 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.63 1mv5B1 LYS 1500 HE2 0.01 0.00 -0.01 -0.04 2.99 2.95 1mv5B1 LYS 1500 HE3 0.01 0.03 -0.04 -0.04 2.99 2.95 1mv5B1 ILE 1501 H -0.12 0.28 0.15 -0.55 8.25 8.01 1mv5B1 ILE 1501 HA -0.05 0.29 0.93 -0.75 4.18 4.60 1mv5B1 ILE 1501 HB -0.26 0.23 0.05 -0.04 1.89 1.86 1mv5B1 ILE 1501 HG12 0.01 0.06 -0.07 -0.04 1.49 1.46 1mv5B1 ILE 1501 HG13 -0.05 -0.13 -0.40 -0.04 1.21 0.59 1mv5B1 ILE 1501 HG23 -0.09 -0.03 -0.24 -0.04 0.93 0.52 1mv5B1 ILE 1501 HD13 0.02 -0.03 -0.12 -0.04 0.88 0.71 1mv5B1 LEU 1502 H -0.04 0.73 0.21 -0.55 8.37 8.72 1mv5B1 LEU 1502 HA 0.06 0.16 0.79 -0.75 4.35 4.60 1mv5B1 LEU 1502 HB2 -0.11 0.11 -0.28 -0.04 1.64 1.32 1mv5B1 LEU 1502 HB3 -0.03 -0.08 -0.00 -0.04 1.64 1.49 1mv5B1 LEU 1502 HG 0.07 -0.05 -0.34 -0.04 1.64 1.29 1mv5B1 LEU 1502 HD13 -0.11 0.01 -0.16 -0.04 0.93 0.63 1mv5B1 LEU 1502 HD23 -0.06 -0.02 -0.20 -0.04 0.89 0.57 1mv5B1 MET 1503 H 0.12 0.26 0.05 -0.55 8.47 8.35 1mv5B1 MET 1503 HA -0.08 0.28 1.14 -0.75 4.52 5.11 1mv5B1 MET 1503 HB2 -0.23 0.34 0.35 -0.04 2.15 2.56 1mv5B1 MET 1503 HB3 -0.62 -0.10 0.06 -0.04 2.03 1.33 1mv5B1 MET 1503 HG2 -0.49 -0.02 -0.12 -0.04 2.63 1.97 1mv5B1 MET 1503 HG3 -0.24 0.02 -0.26 -0.04 2.56 2.04 1mv5B1 MET 1503 HE3 -0.28 0.00 -0.08 -0.04 2.10 1.70 1mv5B1 LEU 1504 H 0.27 0.55 0.34 -0.55 8.37 8.99 1mv5B1 LEU 1504 HA 0.13 0.18 0.96 -0.75 4.35 4.86 1mv5B1 LEU 1504 HB2 0.17 -0.15 -0.05 -0.04 1.64 1.57 1mv5B1 LEU 1504 HB3 0.11 -0.06 -0.02 -0.04 1.64 1.63 1mv5B1 LEU 1504 HG 0.10 0.13 -0.23 -0.04 1.64 1.60 1mv5B1 LEU 1504 HD13 0.06 -0.03 -0.11 -0.04 0.93 0.81 1mv5B1 LEU 1504 HD23 0.08 0.04 -0.22 -0.04 0.89 0.75 1mv5B1 ASP 1505 H 0.12 0.49 -0.01 -0.55 8.40 8.45 1mv5B1 ASP 1505 HA 0.13 0.05 0.69 -0.75 4.63 4.75 1mv5B1 ASP 1505 HB2 0.19 0.08 -0.16 -0.04 2.71 2.77 1mv5B1 ASP 1505 HB3 0.09 0.02 0.10 -0.04 2.70 2.87 1mv5B1 GLU 1506 H 0.23 0.41 0.20 -0.55 8.60 8.90 1mv5B1 GLU 1506 HA 0.07 0.13 0.91 -0.75 4.29 4.65 1mv5B1 GLU 1506 HB2 0.24 -0.05 0.10 -0.04 2.09 2.34 1mv5B1 GLU 1506 HB3 0.10 -0.01 0.15 -0.04 1.99 2.18 1mv5B1 GLU 1506 HG2 0.09 0.05 0.00 -0.04 2.34 2.44 1mv5B1 GLU 1506 HG3 0.12 0.24 0.11 -0.04 2.34 2.77 1mv5B1 ALA 1507 H 0.03 0.11 0.16 -0.55 8.40 8.15 1mv5B1 ALA 1507 HA -0.07 0.27 0.97 -0.75 4.34 4.76 1mv5B1 ALA 1507 HB3 -0.02 0.02 0.09 -0.04 1.41 1.47 1mv5B1 THR 1508 H -0.08 0.22 0.16 -0.55 8.28 8.02 1mv5B1 THR 1508 HA -0.01 0.22 0.55 -0.75 4.39 4.39 1mv5B1 THR 1508 HB -0.07 -0.02 0.12 -0.04 4.32 4.30 1mv5B1 THR 1508 HG23 -0.02 0.02 0.14 -0.04 1.22 1.31 1mv5B1 ALA 1509 H -0.02 -0.01 -0.63 -0.55 8.40 7.19 1mv5B1 ALA 1509 HA -0.02 0.19 0.71 -0.75 4.34 4.47 1mv5B1 ALA 1509 HB3 -0.02 0.01 0.02 -0.04 1.41 1.37 1mv5B1 SER 1510 H -0.01 0.29 -0.02 -0.55 8.46 8.17 1mv5B1 SER 1510 HA -0.00 0.12 0.92 -0.75 4.49 4.77 1mv5B1 SER 1510 HB2 -0.00 -0.02 -0.01 -0.04 3.95 3.87 1mv5B1 SER 1510 HB3 0.00 0.08 -0.02 -0.04 3.93 3.94 1mv5B1 LEU 1511 H -0.01 0.15 0.05 -0.55 8.37 8.01 1mv5B1 LEU 1511 HA -0.01 0.12 0.69 -0.75 4.35 4.40 1mv5B1 LEU 1511 HB2 -0.01 -0.07 0.06 -0.04 1.64 1.58 1mv5B1 LEU 1511 HB3 -0.01 0.08 0.04 -0.04 1.64 1.71 1mv5B1 LEU 1511 HG -0.01 -0.01 -0.08 -0.04 1.64 1.49 1mv5B1 LEU 1511 HD13 -0.02 0.01 -0.01 -0.04 0.93 0.87 1mv5B1 LEU 1511 HD23 -0.01 0.03 -0.02 -0.04 0.89 0.84 1mv5B1 ASP 1512 H -0.00 0.19 0.16 -0.55 8.40 8.19 1mv5B1 ASP 1512 HA -0.00 0.04 0.52 -0.75 4.63 4.44 1mv5B1 ASP 1512 HB2 -0.00 0.03 0.13 -0.04 2.71 2.82 1mv5B1 ASP 1512 HB3 -0.00 0.03 0.08 -0.04 2.70 2.77 1mv5B1 SER 1513 H 0.00 0.18 0.17 -0.55 8.46 8.27 1mv5B1 SER 1513 HA 0.01 0.05 0.46 -0.75 4.49 4.26 1mv5B1 SER 1513 HB2 0.01 0.04 0.03 -0.04 3.95 4.00 1mv5B1 SER 1513 HB3 0.01 0.01 -0.09 -0.04 3.93 3.82 1mv5B1 GLU 1514 H 0.01 0.57 0.05 -0.55 8.60 8.68 1mv5B1 GLU 1514 HA 0.02 0.15 0.67 -0.75 4.29 4.38 1mv5B1 GLU 1514 HB2 0.00 0.07 0.04 -0.04 2.09 2.16 1mv5B1 GLU 1514 HB3 0.02 -0.03 0.12 -0.04 1.99 2.06 1mv5B1 GLU 1514 HG2 0.02 0.03 0.03 -0.04 2.34 2.38 1mv5B1 GLU 1514 HG3 0.01 0.00 0.05 -0.04 2.34 2.37 1mv5B1 SER 1515 H 0.01 0.14 -0.44 -0.55 8.46 7.61 1mv5B1 SER 1515 HA 0.00 0.03 0.39 -0.75 4.49 4.16 1mv5B1 SER 1515 HB2 0.00 0.05 0.15 -0.04 3.95 4.11 1mv5B1 SER 1515 HB3 0.00 0.01 0.09 -0.04 3.93 3.99 1mv5B1 GLU 1516 H 0.02 0.25 -0.35 -0.55 8.60 7.97 1mv5B1 GLU 1516 HA 0.01 -0.05 0.48 -0.75 4.29 3.98 1mv5B1 GLU 1516 HB2 0.03 0.10 0.01 -0.04 2.09 2.19 1mv5B1 GLU 1516 HB3 0.02 0.08 0.00 -0.04 1.99 2.06 1mv5B1 GLU 1516 HG2 0.01 -0.04 -0.02 -0.04 2.34 2.25 1mv5B1 GLU 1516 HG3 0.01 -0.02 0.04 -0.04 2.34 2.34 1mv5B1 SER 1517 H 0.03 0.11 -0.18 -0.55 8.46 7.87 1mv5B1 SER 1517 HA 0.08 0.09 0.23 -0.75 4.49 4.14 1mv5B1 SER 1517 HB2 0.09 0.05 0.13 -0.04 3.95 4.18 1mv5B1 SER 1517 HB3 0.06 -0.01 0.12 -0.04 3.93 4.06 1mv5B1 MET 1518 H 0.02 0.05 -0.96 -0.55 8.47 7.04 1mv5B1 MET 1518 HA 0.02 0.21 0.74 -0.75 4.52 4.74 1mv5B1 MET 1518 HB2 0.00 -0.27 0.28 -0.04 2.15 2.11 1mv5B1 MET 1518 HB3 0.00 -0.05 0.07 -0.04 2.03 2.01 1mv5B1 MET 1518 HG2 0.01 0.08 0.02 -0.04 2.63 2.70 1mv5B1 MET 1518 HG3 0.01 0.38 0.01 -0.04 2.56 2.92 1mv5B1 MET 1518 HE3 -0.01 -0.01 -0.16 -0.04 2.10 1.88 1mv5B1 VAL 1519 H 0.00 0.32 0.20 -0.55 8.24 8.21 1mv5B1 VAL 1519 HA -0.01 -0.02 0.39 -0.75 4.13 3.74 1mv5B1 VAL 1519 HB 0.00 0.13 0.23 -0.04 2.12 2.45 1mv5B1 VAL 1519 HG13 0.00 -0.01 -0.04 -0.04 0.97 0.88 1mv5B1 VAL 1519 HG23 0.00 -0.03 0.16 -0.04 0.95 1.04 1mv5B1 GLN 1520 H 0.00 0.14 0.12 -0.55 8.47 8.19 1mv5B1 GLN 1520 HA -0.01 0.09 0.28 -0.75 4.36 3.96 1mv5B1 GLN 1520 HB2 0.01 -0.05 0.09 -0.04 2.15 2.17 1mv5B1 GLN 1520 HB3 0.01 0.06 0.13 -0.04 2.02 2.18 1mv5B1 GLN 1520 HG2 0.00 0.03 -0.08 -0.04 2.40 2.32 1mv5B1 GLN 1520 HG3 0.00 -0.10 -0.01 -0.04 2.39 2.24 1mv5B1 GLN 1520 HE21 0.00 0.01 -0.02 -0.04 6.97 6.92 1mv5B1 GLN 1520 HE22 0.00 -0.06 -0.05 -0.04 7.69 7.54 1mv5B1 LYS 1521 H -0.05 0.33 -0.49 -0.55 8.42 7.66 1mv5B1 LYS 1521 HA -0.08 0.19 0.97 -0.75 4.32 4.65 1mv5B1 LYS 1521 HB2 -0.05 0.15 0.06 -0.04 1.87 1.99 1mv5B1 LYS 1521 HB3 -0.34 0.05 0.01 -0.04 1.79 1.47 1mv5B1 LYS 1521 HG2 0.15 0.01 -0.03 -0.04 1.46 1.55 1mv5B1 LYS 1521 HG3 0.07 -0.08 -0.35 -0.04 1.46 1.06 1mv5B1 LYS 1521 HD2 0.18 0.12 0.12 -0.04 1.69 2.07 1mv5B1 LYS 1521 HD3 0.50 0.02 0.02 -0.04 1.68 2.18 1mv5B1 LYS 1521 HE2 0.16 0.02 -0.05 -0.04 2.99 3.09 1mv5B1 LYS 1521 HE3 0.10 -0.10 -0.15 -0.04 2.99 2.80 1mv5B1 ALA 1522 H -0.14 0.36 0.17 -0.55 8.40 8.24 1mv5B1 ALA 1522 HA -0.23 0.15 0.40 -0.75 4.34 3.91 1mv5B1 ALA 1522 HB3 -0.05 0.06 0.22 -0.04 1.41 1.59 1mv5B1 LEU 1523 H -0.07 0.42 0.07 -0.55 8.37 8.25 1mv5B1 LEU 1523 HA -0.09 -0.02 0.25 -0.75 4.35 3.74 1mv5B1 LEU 1523 HB2 -0.03 0.47 0.26 -0.04 1.64 2.30 1mv5B1 LEU 1523 HB3 -0.03 -0.06 -0.00 -0.04 1.64 1.51 1mv5B1 LEU 1523 HG -0.02 -0.06 0.11 -0.04 1.64 1.63 1mv5B1 LEU 1523 HD13 0.00 -0.03 0.00 -0.04 0.93 0.86 1mv5B1 LEU 1523 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 1mv5B1 ASP 1524 H -0.07 0.09 -0.52 -0.55 8.40 7.35 1mv5B1 ASP 1524 HA -0.02 -0.03 0.15 -0.75 4.63 3.97 1mv5B1 ASP 1524 HB2 -0.07 0.29 -0.08 -0.04 2.71 2.81 1mv5B1 ASP 1524 HB3 -0.01 -0.00 -0.02 -0.04 2.70 2.62 1mv5B1 SER 1525 H -0.09 0.53 -0.09 -0.55 8.46 8.26 1mv5B1 SER 1525 HA 0.07 -0.01 0.30 -0.75 4.49 4.09 1mv5B1 SER 1525 HB2 0.23 -0.05 0.08 -0.04 3.95 4.17 1mv5B1 SER 1525 HB3 -0.01 -0.06 0.10 -0.04 3.93 3.92 1mv5B1 LEU 1526 H -0.12 0.49 -0.18 -0.55 8.37 8.02 1mv5B1 LEU 1526 HA -0.58 0.05 0.44 -0.75 4.35 3.51 1mv5B1 LEU 1526 HB2 -0.23 0.11 0.25 -0.04 1.64 1.73 1mv5B1 LEU 1526 HB3 -0.30 -0.05 0.00 -0.04 1.64 1.25 1mv5B1 LEU 1526 HG -0.57 0.05 -0.02 -0.04 1.64 1.06 1mv5B1 LEU 1526 HD13 -0.21 -0.06 -0.00 -0.04 0.93 0.61 1mv5B1 LEU 1526 HD23 -1.34 0.07 -0.02 -0.04 0.89 -0.44 1mv5B1 MET 1527 H -0.10 0.63 0.07 -0.55 8.47 8.52 1mv5B1 MET 1527 HA -0.07 -0.02 0.15 -0.75 4.52 3.83 1mv5B1 MET 1527 HB2 -0.02 0.13 -0.06 -0.04 2.15 2.15 1mv5B1 MET 1527 HB3 -0.02 -0.07 -0.02 -0.04 2.03 1.89 1mv5B1 MET 1527 HG2 -0.02 -0.10 -0.07 -0.04 2.63 2.40 1mv5B1 MET 1527 HG3 -0.06 -0.00 0.04 -0.04 2.56 2.49 1mv5B1 MET 1527 HE3 0.01 -0.04 -0.13 -0.04 2.10 1.90 1mv5B1 LYS 1528 H -0.01 0.19 -0.83 -0.55 8.42 7.22 1mv5B1 LYS 1528 HA 0.01 0.01 0.32 -0.75 4.32 3.90 1mv5B1 LYS 1528 HB2 0.05 0.11 0.10 -0.04 1.87 2.09 1mv5B1 LYS 1528 HB3 0.05 -0.06 -0.05 -0.04 1.79 1.69 1mv5B1 LYS 1528 HG2 0.03 -0.07 0.02 -0.04 1.46 1.40 1mv5B1 LYS 1528 HG3 0.02 0.08 -0.07 -0.04 1.46 1.45 1mv5B1 LYS 1528 HD2 0.06 0.01 -0.09 -0.04 1.69 1.63 1mv5B1 LYS 1528 HD3 0.05 -0.06 -0.04 -0.04 1.68 1.59 1mv5B1 LYS 1528 HE2 0.04 -0.05 -0.07 -0.04 2.99 2.87 1mv5B1 LYS 1528 HE3 0.02 -0.03 -0.29 -0.04 2.99 2.66 1mv5B1 GLY 1529 H 0.01 0.30 -0.09 -0.55 8.43 8.10 1mv5B1 GLY 1529 HA2 0.02 0.17 1.04 -0.51 4.01 4.73 1mv5B1 GLY 1529 HA3 0.03 0.00 0.36 -0.51 4.01 3.89 1mv5B1 ARG 1530 H -0.02 0.17 -0.02 -0.55 8.46 8.03 1mv5B1 ARG 1530 HA -0.00 0.16 1.00 -0.75 4.34 4.73 1mv5B1 ARG 1530 HB2 -0.04 0.16 -0.04 -0.04 1.90 1.94 1mv5B1 ARG 1530 HB3 -0.04 0.10 -0.03 -0.04 1.80 1.78 1mv5B1 ARG 1530 HG2 -0.06 -0.06 -0.16 -0.04 1.67 1.34 1mv5B1 ARG 1530 HG3 -0.10 -0.08 -0.47 -0.04 1.67 0.99 1mv5B1 ARG 1530 HD2 -0.13 0.48 -0.08 -0.04 3.22 3.45 1mv5B1 ARG 1530 HD3 -0.07 -0.13 -0.00 -0.04 3.22 2.98 1mv5B1 THR 1531 H -0.00 0.41 0.22 -0.55 8.28 8.36 1mv5B1 THR 1531 HA 0.02 0.14 0.44 -0.75 4.39 4.24 1mv5B1 THR 1531 HB 0.02 0.11 0.30 -0.04 4.32 4.71 1mv5B1 THR 1531 HG23 0.07 -0.01 -0.23 -0.04 1.22 1.01 1mv5B1 THR 1532 H 0.02 0.32 0.33 -0.55 8.28 8.40 1mv5B1 THR 1532 HA 0.01 0.17 0.98 -0.75 4.39 4.80 1mv5B1 THR 1532 HB 0.02 -0.09 0.10 -0.04 4.32 4.31 1mv5B1 THR 1532 HG23 0.03 -0.04 -0.16 -0.04 1.22 1.01 1mv5B1 LEU 1533 H 0.06 0.70 0.32 -0.55 8.37 8.90 1mv5B1 LEU 1533 HA 0.13 0.13 0.81 -0.75 4.35 4.67 1mv5B1 LEU 1533 HB2 0.05 0.01 0.13 -0.04 1.64 1.80 1mv5B1 LEU 1533 HB3 0.43 -0.05 0.00 -0.04 1.64 1.98 1mv5B1 LEU 1533 HG 0.12 0.08 -0.17 -0.04 1.64 1.63 1mv5B1 LEU 1533 HD13 0.03 0.02 -0.20 -0.04 0.93 0.73 1mv5B1 LEU 1533 HD23 0.22 -0.02 -0.11 -0.04 0.89 0.93 1mv5B1 VAL 1534 H 0.18 0.65 0.28 -0.55 8.24 8.79 1mv5B1 VAL 1534 HA 0.29 0.19 1.01 -0.75 4.13 4.87 1mv5B1 VAL 1534 HB 0.09 -0.13 -0.06 -0.04 2.12 1.97 1mv5B1 VAL 1534 HG13 0.10 -0.04 -0.25 -0.04 0.97 0.73 1mv5B1 VAL 1534 HG23 0.08 0.09 -0.23 -0.04 0.95 0.84 1mv5B1 ILE 1535 H 0.13 0.25 -0.18 -0.55 8.25 7.90 1mv5B1 ILE 1535 HA -0.04 0.30 0.72 -0.75 4.18 4.41 1mv5B1 ILE 1535 HB -0.06 0.12 0.30 -0.04 1.89 2.21 1mv5B1 ILE 1535 HG12 -0.41 0.03 0.10 -0.04 1.49 1.17 1mv5B1 ILE 1535 HG13 -1.17 0.11 -0.18 -0.04 1.21 -0.06 1mv5B1 ILE 1535 HG23 0.06 -0.03 0.05 -0.04 0.93 0.97 1mv5B1 ILE 1535 HD13 -0.67 -0.00 -0.16 -0.04 0.88 0.01 1mv5B1 ALA 1536 H -0.00 0.14 -0.09 -0.55 8.40 7.90 1mv5B1 ALA 1536 HA 0.03 -0.00 0.79 -0.75 4.34 4.40 1mv5B1 ALA 1536 HB3 0.03 0.03 0.03 -0.04 1.41 1.46 1mv5B1 HIS 1537 H 0.12 0.11 0.18 -0.55 8.41 8.28 1mv5B1 HIS 1537 HA 0.05 0.23 0.76 -0.75 4.63 4.91 1mv5B1 HIS 1537 HB2 0.02 -0.07 -0.20 -0.04 3.26 2.97 1mv5B1 HIS 1537 HB3 0.02 0.08 0.03 -0.04 3.20 3.28 1mv5B1 HIS 1537 HD2 0.02 -0.05 -0.11 -0.04 6.97 6.80 1mv5B1 HIS 1537 HE1 0.05 -0.03 -0.02 -0.04 7.75 7.70 1mv5B1 ARG 1538 H 0.04 0.11 -0.06 -0.55 8.46 7.99 1mv5B1 ARG 1538 HA 0.01 0.34 0.83 -0.75 4.34 4.77 1mv5B1 ARG 1538 HB2 0.03 -0.08 0.03 -0.04 1.90 1.83 1mv5B1 ARG 1538 HB3 0.01 -0.16 -0.04 -0.04 1.80 1.57 1mv5B1 ARG 1538 HG2 0.02 0.10 0.03 -0.04 1.67 1.77 1mv5B1 ARG 1538 HG3 0.05 0.08 -0.23 -0.04 1.67 1.53 1mv5B1 ARG 1538 HD2 0.02 -0.06 -0.03 -0.04 3.22 3.11 1mv5B1 ARG 1538 HD3 0.01 0.01 -0.01 -0.04 3.22 3.19 1mv5B1 LEU 1539 H -0.02 0.26 0.09 -0.55 8.37 8.15 1mv5B1 LEU 1539 HA -0.07 0.10 0.37 -0.75 4.35 4.01 1mv5B1 LEU 1539 HB2 -0.06 0.11 0.01 -0.04 1.64 1.66 1mv5B1 LEU 1539 HB3 -0.05 -0.04 0.12 -0.04 1.64 1.63 1mv5B1 LEU 1539 HG -0.09 0.00 -0.18 -0.04 1.64 1.33 1mv5B1 LEU 1539 HD13 -0.16 0.00 -0.03 -0.04 0.93 0.70 1mv5B1 LEU 1539 HD23 -0.05 0.03 -0.02 -0.04 0.89 0.81 1mv5B1 SER 1540 H -0.03 0.07 -0.09 -0.55 8.46 7.87 1mv5B1 SER 1540 HA -0.04 0.11 0.23 -0.75 4.49 4.03 1mv5B1 SER 1540 HB2 -0.01 0.11 -0.01 -0.04 3.95 4.00 1mv5B1 SER 1540 HB3 -0.01 0.02 0.08 -0.04 3.93 3.97 1mv5B1 THR 1541 H -0.01 0.02 -0.50 -0.55 8.28 7.24 1mv5B1 THR 1541 HA -0.00 0.11 0.14 -0.75 4.39 3.89 1mv5B1 THR 1541 HB 0.01 0.02 0.05 -0.04 4.32 4.36 1mv5B1 THR 1541 HG23 0.03 0.01 -0.17 -0.04 1.22 1.05 1mv5B1 ILE 1542 H -0.02 0.22 -0.10 -0.55 8.25 7.80 1mv5B1 ILE 1542 HA 0.02 -0.01 0.34 -0.75 4.18 3.77 1mv5B1 ILE 1542 HB -0.09 0.22 0.17 -0.04 1.89 2.15 1mv5B1 ILE 1542 HG12 0.12 -0.06 -0.00 -0.04 1.49 1.51 1mv5B1 ILE 1542 HG13 0.03 -0.09 0.05 -0.04 1.21 1.17 1mv5B1 ILE 1542 HG23 0.03 -0.01 -0.13 -0.04 0.93 0.78 1mv5B1 ILE 1542 HD13 0.07 0.01 -0.07 -0.04 0.88 0.85 1mv5B1 VAL 1543 H -0.12 0.40 -0.22 -0.55 8.24 7.76 1mv5B1 VAL 1543 HA -0.11 -0.08 0.30 -0.75 4.13 3.48 1mv5B1 VAL 1543 HB -0.06 0.17 0.10 -0.04 2.12 2.29 1mv5B1 VAL 1543 HG13 -0.03 -0.01 -0.09 -0.04 0.97 0.80 1mv5B1 VAL 1543 HG23 -0.18 0.05 -0.05 -0.04 0.95 0.72 1mv5B1 ASP 1544 H -0.03 0.28 -0.17 -0.55 8.40 7.94 1mv5B1 ASP 1544 HA -0.00 0.06 0.42 -0.75 4.63 4.35 1mv5B1 ASP 1544 HB2 -0.01 0.03 0.02 -0.04 2.71 2.71 1mv5B1 ASP 1544 HB3 -0.00 -0.00 0.05 -0.04 2.70 2.70 1mv5B1 ALA 1545 H -0.01 0.22 -0.22 -0.55 8.40 7.84 1mv5B1 ALA 1545 HA -0.00 -0.01 0.31 -0.75 4.34 3.88 1mv5B1 ALA 1545 HB3 -0.01 -0.01 -0.05 -0.04 1.41 1.30 1mv5B1 ASP 1546 H -0.01 0.50 0.38 -0.55 8.40 8.72 1mv5B1 ASP 1546 HA -0.01 0.15 0.77 -0.75 4.63 4.79 1mv5B1 ASP 1546 HB2 -0.00 -0.06 0.16 -0.04 2.71 2.77 1mv5B1 ASP 1546 HB3 -0.00 -0.01 0.19 -0.04 2.70 2.83 1mv5B1 LYS 1547 H -0.05 0.18 -0.10 -0.55 8.42 7.89 1mv5B1 LYS 1547 HA -0.13 -0.02 0.29 -0.75 4.32 3.70 1mv5B1 LYS 1547 HB2 -0.09 0.20 -0.08 -0.04 1.87 1.86 1mv5B1 LYS 1547 HB3 -0.11 -0.02 -0.05 -0.04 1.79 1.58 1mv5B1 LYS 1547 HG2 -0.61 0.04 -0.23 -0.04 1.46 0.62 1mv5B1 LYS 1547 HG3 -0.26 -0.11 -0.09 -0.04 1.46 0.96 1mv5B1 LYS 1547 HD2 -0.09 0.02 -0.03 -0.04 1.69 1.54 1mv5B1 LYS 1547 HD3 -0.07 0.03 -0.03 -0.04 1.68 1.58 1mv5B1 LYS 1547 HE2 -0.28 -0.01 -0.01 -0.04 2.99 2.65 1mv5B1 LYS 1547 HE3 -0.22 -0.01 -0.14 -0.04 2.99 2.57 1mv5B1 ILE 1548 H -0.22 0.54 0.19 -0.55 8.25 8.21 1mv5B1 ILE 1548 HA -0.15 0.00 0.74 -0.75 4.18 4.02 1mv5B1 ILE 1548 HB -0.23 0.04 0.01 -0.04 1.89 1.67 1mv5B1 ILE 1548 HG12 -0.07 -0.06 -0.01 -0.04 1.49 1.31 1mv5B1 ILE 1548 HG13 -0.04 -0.08 0.00 -0.04 1.21 1.05 1mv5B1 ILE 1548 HG23 0.01 -0.03 -0.17 -0.04 0.93 0.70 1mv5B1 ILE 1548 HD13 0.10 0.04 -0.01 -0.04 0.88 0.97 1mv5B1 TYR 1549 H -0.06 0.27 0.14 -0.55 8.29 8.09 1mv5B1 TYR 1549 HA -0.02 0.40 1.02 -0.75 4.56 5.21 1mv5B1 TYR 1549 HB2 -0.51 0.15 0.33 -0.04 3.06 2.98 1mv5B1 TYR 1549 HB3 0.04 -0.04 0.09 -0.04 2.98 3.03 1mv5B1 TYR 1549 HD2 -0.26 0.04 0.06 -0.04 7.15 6.94 1mv5B1 TYR 1549 HE2 0.01 0.08 0.05 -0.04 6.85 6.95 1mv5B1 PHE 1550 H 0.21 0.37 0.27 -0.55 8.34 8.63 1mv5B1 PHE 1550 HA 0.04 0.20 0.89 -0.75 4.62 4.99 1mv5B1 PHE 1550 HB2 -0.11 -0.00 0.02 -0.04 3.15 3.01 1mv5B1 PHE 1550 HB3 0.03 -0.15 0.21 -0.04 3.06 3.11 1mv5B1 PHE 1550 HD2 0.08 -0.01 -0.13 -0.04 7.28 7.18 1mv5B1 PHE 1550 HE2 -0.24 -0.02 -0.18 -0.04 7.38 6.91 1mv5B1 PHE 1550 HZ -0.10 0.05 -0.21 -0.04 7.32 7.02 1mv5B1 ILE 1551 H -0.23 0.71 0.41 -0.55 8.25 8.59 1mv5B1 ILE 1551 HA -0.15 0.41 1.03 -0.75 4.18 4.72 1mv5B1 ILE 1551 HB -0.12 -0.09 0.02 -0.04 1.89 1.67 1mv5B1 ILE 1551 HG12 0.07 0.08 -0.33 -0.04 1.49 1.27 1mv5B1 ILE 1551 HG13 0.12 -0.09 -0.38 -0.04 1.21 0.82 1mv5B1 ILE 1551 HG23 -0.07 -0.00 -0.38 -0.04 0.93 0.43 1mv5B1 ILE 1551 HD13 0.11 -0.01 -0.18 -0.04 0.88 0.76 1mv5B1 GLU 1552 H -0.22 0.57 0.23 -0.55 8.60 8.63 1mv5B1 GLU 1552 HA -0.30 0.03 0.76 -0.75 4.29 4.03 1mv5B1 GLU 1552 HB2 -0.48 -0.06 -0.12 -0.04 2.09 1.39 1mv5B1 GLU 1552 HB3 -0.09 0.07 0.07 -0.04 1.99 2.00 1mv5B1 GLU 1552 HG2 -0.03 0.06 -0.12 -0.04 2.34 2.21 1mv5B1 GLU 1552 HG3 -0.12 -0.03 0.03 -0.04 2.34 2.17 1mv5B1 LYS 1553 H -0.10 0.10 0.09 -0.55 8.42 7.95 1mv5B1 LYS 1553 HA -0.05 0.05 0.26 -0.75 4.32 3.83 1mv5B1 LYS 1553 HB2 -0.02 0.03 -0.11 -0.04 1.87 1.73 1mv5B1 LYS 1553 HB3 -0.02 0.06 0.18 -0.04 1.79 1.98 1mv5B1 LYS 1553 HG2 -0.02 0.02 0.01 -0.04 1.46 1.43 1mv5B1 LYS 1553 HG3 -0.03 -0.08 -0.02 -0.04 1.46 1.29 1mv5B1 LYS 1553 HD2 -0.00 0.00 -0.02 -0.04 1.69 1.63 1mv5B1 LYS 1553 HD3 -0.01 0.03 0.00 -0.04 1.68 1.67 1mv5B1 LYS 1553 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 1mv5B1 LYS 1553 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.90 1mv5B1 GLY 1554 H -0.05 0.14 -0.06 -0.55 8.43 7.91 1mv5B1 GLY 1554 HA2 0.00 0.15 0.49 -0.51 4.01 4.14 1mv5B1 GLY 1554 HA3 0.00 0.17 0.56 -0.51 4.01 4.23 1mv5B1 GLN 1555 H -0.02 0.40 -0.28 -0.55 8.47 8.01 1mv5B1 GLN 1555 HA 0.03 0.19 0.93 -0.75 4.36 4.75 1mv5B1 GLN 1555 HB2 0.01 0.06 0.01 -0.04 2.15 2.19 1mv5B1 GLN 1555 HB3 0.03 0.12 0.04 -0.04 2.02 2.17 1mv5B1 GLN 1555 HG2 0.03 -0.01 0.06 -0.04 2.40 2.43 1mv5B1 GLN 1555 HG3 0.02 0.00 -0.15 -0.04 2.39 2.23 1mv5B1 GLN 1555 HE21 0.02 -0.02 0.01 -0.04 6.97 6.93 1mv5B1 GLN 1555 HE22 0.02 -0.06 0.02 -0.04 7.69 7.63 1mv5B1 ILE 1556 H 0.06 0.23 0.17 -0.55 8.25 8.15 1mv5B1 ILE 1556 HA 0.09 0.18 0.73 -0.75 4.18 4.43 1mv5B1 ILE 1556 HB 0.13 0.04 0.10 -0.04 1.89 2.12 1mv5B1 ILE 1556 HG12 0.20 -0.02 -0.15 -0.04 1.49 1.48 1mv5B1 ILE 1556 HG13 0.11 -0.01 -0.13 -0.04 1.21 1.14 1mv5B1 ILE 1556 HG23 0.28 -0.05 -0.04 -0.04 0.93 1.08 1mv5B1 ILE 1556 HD13 0.15 0.00 -0.04 -0.04 0.88 0.95 1mv5B1 THR 1557 H 0.19 0.58 0.42 -0.55 8.28 8.92 1mv5B1 THR 1557 HA 0.13 0.23 0.88 -0.75 4.39 4.87 1mv5B1 THR 1557 HB 0.72 -0.08 0.02 -0.04 4.32 4.94 1mv5B1 THR 1557 HG23 0.16 -0.00 0.09 -0.04 1.22 1.43 1mv5B1 GLY 1558 H 0.23 0.06 0.28 -0.55 8.43 8.45 1mv5B1 GLY 1558 HA2 0.06 0.24 0.89 -0.51 4.01 4.68 1mv5B1 GLY 1558 HA3 0.07 -0.04 0.26 -0.51 4.01 3.79 1mv5B1 SER 1559 H -0.05 0.23 -0.00 -0.55 8.46 8.09 1mv5B1 SER 1559 HA -0.33 0.38 0.86 -0.75 4.49 4.65 1mv5B1 SER 1559 HB2 -0.15 0.06 0.18 -0.04 3.95 3.99 1mv5B1 SER 1559 HB3 0.06 -0.02 -0.04 -0.04 3.93 3.89 1mv5B1 GLY 1560 H -0.25 0.36 0.12 -0.55 8.43 8.11 1mv5B1 GLY 1560 HA2 -0.13 0.17 0.44 -0.51 4.01 3.98 1mv5B1 GLY 1560 HA3 -0.12 0.02 0.41 -0.51 4.01 3.80 1mv5B1 LYS 1561 H -0.08 0.17 0.19 -0.55 8.42 8.15 1mv5B1 LYS 1561 HA -0.06 0.16 0.71 -0.75 4.32 4.38 1mv5B1 LYS 1561 HB2 0.01 0.02 0.08 -0.04 1.87 1.94 1mv5B1 LYS 1561 HB3 -0.03 0.26 0.06 -0.04 1.79 2.04 1mv5B1 LYS 1561 HG2 -0.04 -0.04 0.21 -0.04 1.46 1.54 1mv5B1 LYS 1561 HG3 -0.02 -0.23 0.05 -0.04 1.46 1.22 1mv5B1 LYS 1561 HD2 -0.00 0.05 0.04 -0.04 1.69 1.74 1mv5B1 LYS 1561 HD3 -0.02 0.15 0.07 -0.04 1.68 1.84 1mv5B1 LYS 1561 HE2 -0.02 0.02 0.06 -0.04 2.99 3.00 1mv5B1 LYS 1561 HE3 -0.01 -0.08 0.03 -0.04 2.99 2.88 1mv5B1 HIS 1562 H 0.11 0.38 0.11 -0.55 8.41 8.46 1mv5B1 HIS 1562 HA 0.04 -0.01 0.27 -0.75 4.63 4.18 1mv5B1 HIS 1562 HB2 0.08 0.11 -0.03 -0.04 3.26 3.37 1mv5B1 HIS 1562 HB3 0.04 0.08 0.06 -0.04 3.20 3.33 1mv5B1 HIS 1562 HD2 0.04 0.03 -0.18 -0.04 6.97 6.82 1mv5B1 HIS 1562 HE1 -0.11 0.00 -0.09 -0.04 7.75 7.51 1mv5B1 ASN 1563 H 0.09 0.19 -0.17 -0.55 8.53 8.09 1mv5B1 ASN 1563 HA -0.06 0.06 0.38 -0.75 4.76 4.39 1mv5B1 ASN 1563 HB2 0.01 0.05 0.05 -0.04 2.88 2.95 1mv5B1 ASN 1563 HB3 0.07 0.02 0.05 -0.04 2.79 2.90 1mv5B1 ASN 1563 HD21 0.01 0.04 -0.01 -0.04 7.03 7.03 1mv5B1 ASN 1563 HD22 0.02 0.01 -0.01 -0.04 7.74 7.73 1mv5B1 GLU 1564 H -0.04 0.21 -0.24 -0.55 8.60 7.99 1mv5B1 GLU 1564 HA -0.04 0.10 0.41 -0.75 4.29 4.00 1mv5B1 GLU 1564 HB2 -0.04 -0.03 0.14 -0.04 2.09 2.12 1mv5B1 GLU 1564 HB3 -0.08 -0.00 0.19 -0.04 1.99 2.06 1mv5B1 GLU 1564 HG2 -0.06 0.02 -0.06 -0.04 2.34 2.20 1mv5B1 GLU 1564 HG3 -0.04 0.03 0.06 -0.04 2.34 2.35 1mv5B1 LEU 1565 H -0.14 0.54 -0.16 -0.55 8.37 8.06 1mv5B1 LEU 1565 HA -0.13 0.06 0.17 -0.75 4.35 3.70 1mv5B1 LEU 1565 HB2 -0.50 0.08 -0.11 -0.04 1.64 1.08 1mv5B1 LEU 1565 HB3 -0.77 -0.06 -0.15 -0.04 1.64 0.62 1mv5B1 LEU 1565 HG -0.33 0.05 -0.31 -0.04 1.64 1.00 1mv5B1 LEU 1565 HD13 -0.89 -0.01 -0.19 -0.04 0.93 -0.20 1mv5B1 LEU 1565 HD23 -0.16 -0.02 -0.14 -0.04 0.89 0.53 1mv5B1 VAL 1566 H -0.12 0.68 -0.15 -0.55 8.24 8.10 1mv5B1 VAL 1566 HA 0.07 -0.06 0.25 -0.75 4.13 3.63 1mv5B1 VAL 1566 HB -0.18 0.07 0.11 -0.04 2.12 2.08 1mv5B1 VAL 1566 HG13 -0.07 -0.01 -0.14 -0.04 0.97 0.71 1mv5B1 VAL 1566 HG23 -0.44 -0.02 -0.06 -0.04 0.95 0.39 1mv5B1 ALA 1567 H -0.04 0.39 -0.33 -0.55 8.40 7.87 1mv5B1 ALA 1567 HA -0.01 0.07 0.38 -0.75 4.34 4.03 1mv5B1 ALA 1567 HB3 -0.02 0.02 0.10 -0.04 1.41 1.48 1mv5B1 THR 1568 H -0.01 0.25 -0.41 -0.55 8.28 7.56 1mv5B1 THR 1568 HA -0.01 0.16 0.66 -0.75 4.39 4.44 1mv5B1 THR 1568 HB -0.03 0.03 0.07 -0.04 4.32 4.35 1mv5B1 THR 1568 HG23 -0.05 -0.02 0.03 -0.04 1.22 1.14 1mv5B1 HIS 1569 H 0.08 0.33 -0.21 -0.55 8.41 8.06 1mv5B1 HIS 1569 HA -0.01 0.23 0.99 -0.75 4.63 5.09 1mv5B1 HIS 1569 HB2 -0.09 0.06 -0.26 -0.04 3.26 2.94 1mv5B1 HIS 1569 HB3 -0.08 -0.09 0.16 -0.04 3.20 3.14 1mv5B1 HIS 1569 HD2 -0.06 -0.01 -0.19 -0.04 6.97 6.67 1mv5B1 HIS 1569 HE1 0.16 0.04 -0.02 -0.04 7.75 7.89 1mv5B1 PRO 1570 HA 0.03 0.11 0.45 -0.51 4.44 4.53 1mv5B1 PRO 1570 HB2 0.09 -0.00 0.03 -0.04 2.28 2.36 1mv5B1 PRO 1570 HB3 0.04 0.05 0.06 -0.04 2.02 2.13 1mv5B1 PRO 1570 HG2 0.04 0.07 0.04 -0.04 2.03 2.14 1mv5B1 PRO 1570 HG3 0.04 0.09 0.01 -0.04 2.03 2.13 1mv5B1 PRO 1570 HD2 0.10 0.13 0.18 -0.04 3.68 4.04 1mv5B1 PRO 1570 HD3 0.06 0.26 -0.24 -0.04 3.65 3.68 1mv5B1 LEU 1571 H 0.24 0.14 -0.35 -0.55 8.37 7.86 1mv5B1 LEU 1571 HA 0.05 0.17 0.63 -0.75 4.35 4.45 1mv5B1 LEU 1571 HB2 0.10 0.02 0.00 -0.04 1.64 1.72 1mv5B1 LEU 1571 HB3 0.18 0.00 -0.00 -0.04 1.64 1.78 1mv5B1 LEU 1571 HG 0.18 -0.01 -0.04 -0.04 1.64 1.73 1mv5B1 LEU 1571 HD13 0.23 0.02 -0.02 -0.04 0.93 1.12 1mv5B1 LEU 1571 HD23 0.10 0.02 -0.03 -0.04 0.89 0.93 1mv5B1 TYR 1572 H -0.46 0.27 -0.17 -0.55 8.29 7.38 1mv5B1 TYR 1572 HA -0.90 0.03 0.41 -0.75 4.56 3.35 1mv5B1 TYR 1572 HB2 -1.42 -0.03 -0.01 -0.04 3.06 1.56 1mv5B1 TYR 1572 HB3 -0.49 0.26 0.05 -0.04 2.98 2.76 1mv5B1 TYR 1572 HD2 -0.59 0.05 -0.28 -0.04 7.15 6.29 1mv5B1 TYR 1572 HE2 -0.17 0.02 -0.11 -0.04 6.85 6.56 1mv5B1 ALA 1573 H -0.09 0.52 -0.05 -0.55 8.40 8.23 1mv5B1 ALA 1573 HA -0.28 0.01 0.37 -0.75 4.34 3.69 1mv5B1 ALA 1573 HB3 -0.06 0.06 0.07 -0.04 1.41 1.44 1mv5B1 LYS 1574 H -0.07 0.20 -0.61 -0.55 8.42 7.38 1mv5B1 LYS 1574 HA -0.04 0.07 0.31 -0.75 4.32 3.90 1mv5B1 LYS 1574 HB2 0.01 0.21 0.17 -0.04 1.87 2.22 1mv5B1 LYS 1574 HB3 0.04 0.11 0.16 -0.04 1.79 2.05 1mv5B1 LYS 1574 HG2 0.02 -0.06 -0.15 -0.04 1.46 1.23 1mv5B1 LYS 1574 HG3 0.00 0.00 0.01 -0.04 1.46 1.44 1mv5B1 LYS 1574 HD2 0.04 0.03 0.00 -0.04 1.69 1.72 1mv5B1 LYS 1574 HD3 0.06 -0.02 -0.01 -0.04 1.68 1.67 1mv5B1 LYS 1574 HE2 0.03 -0.02 -0.03 -0.04 2.99 2.93 1mv5B1 LYS 1574 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 1mv5B1 TYR 1575 H 0.03 0.49 -0.16 -0.55 8.29 8.10 1mv5B1 TYR 1575 HA -0.01 0.00 0.34 -0.75 4.56 4.14 1mv5B1 TYR 1575 HB2 0.14 0.10 0.11 -0.04 3.06 3.37 1mv5B1 TYR 1575 HB3 -0.11 0.10 0.14 -0.04 2.98 3.07 1mv5B1 TYR 1575 HD2 0.05 0.03 -0.11 -0.04 7.15 7.08 1mv5B1 TYR 1575 HE2 0.03 0.01 -0.10 -0.04 6.85 6.75 1mv5B1 VAL 1576 H -0.25 0.63 -0.17 -0.55 8.24 7.90 1mv5B1 VAL 1576 HA -0.26 -0.05 0.43 -0.75 4.13 3.50 1mv5B1 VAL 1576 HB -0.27 0.13 0.03 -0.04 2.12 1.98 1mv5B1 VAL 1576 HG13 -0.01 -0.02 -0.08 -0.04 0.97 0.81 1mv5B1 VAL 1576 HG23 -0.55 0.04 -0.03 -0.04 0.95 0.37 1mv5B1 SER 1577 H -0.14 0.40 -0.38 -0.55 8.46 7.79 1mv5B1 SER 1577 HA -0.08 0.07 0.64 -0.75 4.49 4.37 1mv5B1 SER 1577 HB2 -0.06 0.07 0.09 -0.04 3.95 4.00 1mv5B1 SER 1577 HB3 -0.05 -0.04 0.07 -0.04 3.93 3.87 1mv5B1 GLU 1578 H -0.16 0.23 -0.17 -0.55 8.60 7.96 1mv5B1 GLU 1578 HA -0.07 0.27 1.14 -0.75 4.29 4.87 1mv5B1 GLU 1578 HB2 -0.06 0.04 0.07 -0.04 2.09 2.10 1mv5B1 GLU 1578 HB3 -0.05 -0.03 -0.03 -0.04 1.99 1.84 1mv5B1 GLU 1578 HG2 -0.03 0.04 -0.07 -0.04 2.34 2.23 1mv5B1 GLU 1578 HG3 -0.04 -0.02 -0.24 -0.04 2.34 1.99 1mv5B1 GLN 1579 H -0.31 0.41 0.23 -0.55 8.47 8.26 1mv5B1 GLN 1579 HA -0.12 0.24 0.91 -0.75 4.36 4.64 1mv5B1 GLN 1579 HB2 -0.81 0.02 0.05 -0.04 2.15 1.37 1mv5B1 GLN 1579 HB3 -0.11 -0.03 0.11 -0.04 2.02 1.95 1mv5B1 GLN 1579 HG2 -0.13 -0.01 0.04 -0.04 2.40 2.26 1mv5B1 GLN 1579 HG3 0.07 -0.06 0.02 -0.04 2.39 2.38 1mv5B1 GLN 1579 HE21 0.02 0.02 -0.04 -0.04 6.97 6.93 1mv5B1 GLN 1579 HE22 0.05 -0.02 -0.04 -0.04 7.69 7.64 1mv5B1 LEU 1580 H -0.33 0.16 0.06 -0.55 8.37 7.70 1mv5B1 LEU 1580 HA -0.09 0.19 0.76 -0.75 4.35 4.46 1mv5B1 LEU 1580 HB2 -0.29 -0.03 -0.07 -0.04 1.64 1.22 1mv5B1 LEU 1580 HB3 -0.20 0.11 0.06 -0.04 1.64 1.57 1mv5B1 LEU 1580 HG -0.04 -0.08 -0.42 -0.04 1.64 1.06 1mv5B1 LEU 1580 HD13 0.02 -0.04 -0.26 -0.04 0.93 0.61 1mv5B1 LEU 1580 HD23 -0.06 0.01 -0.22 -0.04 0.89 0.57 1mv5B1 THR 1581 H -0.14 -0.04 -0.27 -0.55 8.28 7.28 1mv5B1 THR 1581 HA -0.06 -0.07 0.37 -0.75 4.39 3.88 1mv5B1 THR 1581 HB -0.09 -0.04 -0.36 -0.04 4.32 3.79 1mv5B1 THR 1581 HG23 -0.04 0.02 -0.16 -0.04 1.22 0.99 1mv5B1 VAL 1582 H -0.03 0.11 0.13 -0.55 8.24 7.90 1mv5B1 VAL 1582 HA -0.02 0.15 0.83 -0.75 4.13 4.33 1mv5B1 VAL 1582 HB -0.02 -0.01 0.12 -0.04 2.12 2.17 1mv5B1 VAL 1582 HG13 -0.01 -0.00 -0.12 -0.04 0.97 0.79 1mv5B1 VAL 1582 HG23 -0.02 -0.00 -0.01 -0.04 0.95 0.88 1mv5B1 GLY 1583 H -0.02 0.14 0.06 -0.55 8.43 8.06 1mv5B1 GLY 1583 HA2 -0.01 0.02 0.18 -0.51 4.01 3.69 1mv5B1 GLY 1583 HA3 -0.02 0.27 0.73 -0.51 4.01 4.48