NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3816 | 1e8j | cing | 1-original | 1 | DYANA/DIANA | peak |
## LOV constraints 48 ALA HN 48 ALA QB 118044.45 16 ALA HN 16 ALA QB 169222.23 16 ALA HN 16 ALA HA 56888.89 14 ASP HN 14 ASP HB2 47222.22 33 LEU HN 33 LEU HA 54527.78 10 GLY HA1 10 GLY HN 78733.34 46 LYS HA 46 LYS HN 68000.00 33 LEU HA 33 LEU HB3 85855.00 33 LEU QD2 33 LEU HB3 93865.00 33 LEU QD1 33 LEU HB2 92765.00 33 LEU QD1 33 LEU HB3 57470.00 33 LEU QD2 33 LEU HB2 31185.00 4 TYRF HA 4 TYRF HN 48016.67 47 ASP HA 47 ASP HN 49022.22 49 PHEF HA 49 PHEF HN 138433.34 37 TRP HA 37 TRP HN 48733.34 43 GLY HA2 43 GLY HN 84683.34 45 SER HB3 45 SER HN 43183.34 7 THR HA 7 THR HN 52828.89 29 LYS HA 29 LYS HN 2857843.50 11 TYRF HA 11 TYRF HN 108083.34 8 VAL HA 8 VAL HN 51066.67 28 THR HB 28 THR HN 129344.45 28 THR HB 28 THR HG1 153805.56 23 GLY HA2 23 GLY HN 1356666.75 18 GLY HA1 18 GLY HN 1678061.25 10 GLY HA2 10 GLY HN 174366.67 43 GLY HA1 43 GLY HN 160400.00 18 GLY HA2 18 GLY HN 39988.89 49 PHEF HB2 49 PHEF HN 132900.00 39 CYSS HA 39 CYSS HN 271944.47 42 CYSS HB2 42 CYSS HN 17911.11 9 CYSS HB2 9 CYSS HN 11615.56 11 TYRF HB2 11 TYRF HN 292666.69 13 TYRF HB2 13 TYRF HN 142722.23 6 CYSS HB3 6 CYSS HN 276888.91 39 CYSS HB3 39 CYSS HN 97877.78 25 LYS HA 25 LYS HN 66583.34 19 ASP HB3 19 ASP HN 29450.00 37 TRP HB2 37 TRP HN 103283.34 6 CYSS HA 49 PHEF HA 106000.00 32 ASP HB3 32 ASP HN 20200.00 37 TRP HB3 37 TRP HN 117055.56 6 CYSS HB2 10 GLY HN 13887.22 9 CYSS HB3 9 CYSS HN 82338.89 8 VAL HB 8 VAL HN 96500.01 6 CYSS HA 6 CYSS HN 55005.56 6 CYSS HB2 6 CYSS HN 111350.01 42 CYSS HB3 42 CYSS HN 64922.23 4 TYRF HB2 4 TYRF HN 84205.56 4 TYRF HB3 4 TYRF HN 14998.89 49 PHEF HB3 49 PHEF HN 38922.22 32 ASP HB2 32 ASP HN 103022.23 47 ASP HB3 47 ASP HN 18266.67 50 GLU HG2 50 GLU HN 6268.33 29 LYS HB2 29 LYS HN 29638.89 50 GLU HB2 50 GLU HN 12202.78 46 LYS HB3 46 LYS HN 91711.12 24 ILE HB 24 ILE HN 118561.12 17 LYS HB2 17 LYS HN 1124616.75 49 PHEF HB3 49 PHEF HA 85445.00 50 GLU HB3 50 GLU HN 33166.67 25 LYS HG2 25 LYS HN 32894.45 12 GLU HB2 12 GLU HN 47111.11 12 GLU HB3 12 GLU HN 23689.45 24 ILE HG12 24 ILE HN 55366.67 25 LYS HB2 25 LYS HN 107288.89 25 LYS HB3 25 LYS HN 63877.78 46 LYS HB2 46 LYS HN 73727.78 29 LYS HD2 29 LYS HN 127516.67 29 LYS HG2 29 LYS HN 109161.12 44 ALA QB 44 ALA HN 115833.34 51 LYS HB2 51 LYS HN 36138.89 24 ILE HG13 24 ILE HN 18114.45 28 THR QG2 28 THR HG1 29200.00 28 THR QG2 28 THR HN 16994.45 3 ILE HG12 4 TYRF HN 58877.78 46 LYS HG3 46 LYS HN 8417.78 8 VAL QG2 8 VAL HN 97727.78 24 ILE QG2 19 ASP HN 56461.11 24 ILE QG2 24 ILE HN 11083.89 24 ILE QD1 24 ILE HN 11525.56 33 LEU HG 33 LEU HN 107405.56 33 LEU HB2 33 LEU HN 132944.45 38 ALA QB 38 ALA HN 77238.89 33 LEU HB3 33 LEU HN 25950.00 33 LEU HB2 34 FPR HD2 24230.00 24 ILE QD1 34 FPR HD2 49765.00 33 LEU QD2 33 LEU HN 13314.45 33 LEU QD1 33 LEU HN 15185.56 33 LEU QD1 33 LEU HA 12090.50 33 LEU QD2 33 LEU HA 108900.00 46 LYS HD2 46 LYS HN 8775.00 5 VAL HB 5 VAL HN 52422.23 37 TRP HB3 37 TRP HD1 13880.00 37 TRP HB2 37 TRP HD1 59805.00 39 CYSS HB2 39 CYSS HN 119622.23 41 VAL HA 41 VAL HN 38977.78 6 CYSS HB3 10 GLY HN 81611.12 5 VAL QG2 5 VAL HN 55533.89 6 CYSS HB3 49 PHEF HZ 31795.00 39 CYSS HB2 49 PHEF HZ 116230.00 39 CYSS HB2 49 PHEF HQE1 188800.00 6 CYSS HB3 49 PHEF HE1 51490.00 30 PHEF HA 33 LEU HN 31566.67 37 TRP HZ3 30 PHEF HQE1 43555.00 30 PHEF HQD1 4 TYRF HQD1 22185.00 30 PHEF HD1 4 TYRF HQE1 22940.00 37 TRP HZ3 49 PHEF HD1 6997.00 37 TRP HZ3 49 PHEF HE1 26850.00 37 TRP HZ3 49 PHEF HZ 22220.00 30 PHEF HQD1 13 TYRF HQD2 71340.00 30 PHEF HD1 49 PHEF HD1 13316.50 30 PHEF HE1 49 PHEF HD1 22770.00 4 TYRF HQD2 49 PHEF HQD2 10338.00 28 THR HG1 28 THR HN 65746.92 37 TRP HH2 49 PHEF HZ 44975.00 11 TYRF HQE2 49 PHEF HZ 29800.00 37 TRP HE3 49 PHEF HE1 6412.50 30 PHEF HE1 49 PHEF HE1 9474.00 19 ASP HB3 37 TRP HE1 16322.22 24 ILE HG13 37 TRP HE1 18110.56 24 ILE QD1 37 TRP HE1 4504.44 33 LEU QD2 37 TRP HE1 18165.00 29 LYS HE2 29 LYS HN 1040.00 41 VAL HB 41 VAL HN 109227.78 41 VAL QG2 41 VAL HN 54650.00 31 GLU HA 32 ASP HN 22233.33 13 TYRF HE1 13 TYRF HH 156150.00 4 TYRF HB3 4 TYRF HQD2 127050.00 4 TYRF HB2 4 TYRF HD1 236880.00 4 TYRF HA 5 VAL HN 272666.69 5 VAL HA 6 CYSS HN 390036.69 6 CYSS HA 7 THR HN 372666.69 7 THR HA 8 VAL HN 32066.67 49 PHEF HA 50 GLU HN 136000.00 10 GLY HA2 11 TYRF HN 38816.67 10 GLY HA1 11 TYRF HN 37133.34 18 GLY HA2 19 ASP HN 1497722.25 18 GLY HA1 19 ASP HN 95250.01 17 LYS HN 16 ALA HN 115944.45 17 LYS HN 18 GLY HN 197135.81 44 ALA HA 44 ALA HN 87816.67 43 GLY HA2 44 ALA HN 46666.67 43 GLY HA1 44 ALA HN 25100.00 43 GLY HN 44 ALA HN 62030.87 43 GLY HN 42 CYSS HN 178271.62 45 SER HN 44 ALA HN 9790.12 44 ALA HA 45 SER HN 240672.80 46 LYS HA 47 ASP HN 33333.34 47 ASP HN 46 LYS HN 36864.20 27 GLY HA2 28 THR HN 21940.56 8 VAL HA 9 CYSS HN 23950.00 9 CYSS HA 10 GLY HN 23833.33 24 ILE HA 25 LYS HN 203500.02 37 TRP HA 38 ALA HN 176083.34 38 ALA HA 39 CYSS HN 225500.02 4 TYRF HQD1 4 TYRF HN 46122.22 4 TYRF HQE1 4 TYRF HN 12291.11 4 TYRF HA 4 TYRF HQD1 31485.00 5 VAL HA 13 TYRF HN 44100.00 49 PHEF HQD2 13 TYRF HN 26466.67 49 PHEF HQE2 13 TYRF HN 31772.22 49 PHEF HQE2 6 CYSS HN 27188.89 49 PHEF HQD2 6 CYSS HN 40927.78 10 GLY HN 11 TYRF HN 75092.60 3 ILE QG2 13 TYRF HN 47316.67 8 VAL HB 9 CYSS HN 107005.56 39 CYSS HB3 44 ALA HN 163166.67 39 CYSS HB2 44 ALA HN 36722.22 6 CYSS HB3 9 CYSS HN 40177.78 8 VAL QG1 9 CYSS HN 37500.00 28 THR QG2 29 LYS HN 39394.45 33 LEU QD2 13 TYRF HH 98935.00 28 THR HB 13 TYRF HH 178195.00 28 THR QG2 13 TYRF HH 23295.00 28 THR HN 27 GLY HN 71154.33 49 PHEF HQE1 39 CYSS HN 42461.11 7 THR HN 8 VAL HN 65376.55 18 GLY HA1 13 TYRF HQE1 61090.00 15 FPR HA 13 TYRF HH 76536.50 15 FPR HA 13 TYRF HQE2 95105.00 4 TYRF HA 52 GLN HN 209000.02 49 PHEF HA 7 THR HN 52622.23 46 LYS HA 49 PHEF HQD1 140070.00 49 PHEF HA 49 PHEF HD1 49344.50 5 VAL HA 49 PHEF HQD2 37545.00 49 PHEF HQD1 49 PHEF HN 105138.89 38 ALA HA 37 TRP HE3 30750.00 46 LYS HA 30 PHEF HZ 49545.00 49 PHEF HB2 30 PHEF HZ 123960.00 49 PHEF HB3 30 PHEF HZ 22505.00 46 LYS HG3 30 PHEF HZ 35510.00 46 LYS HG2 30 PHEF HZ 45920.00 39 CYSS HA 37 TRP HH2 25340.00 6 CYSS HB2 49 PHEF HZ 71215.00 6 CYSS HB2 49 PHEF HE1 80590.00 49 PHEF HB2 49 PHEF HD1 108305.00 49 PHEF HB3 49 PHEF HD1 258000.00 4 TYRF HB3 49 PHEF HQD2 144055.00 4 TYRF HB2 49 PHEF HD1 258000.00 6 CYSS HA 49 PHEF HD1 14945.00 48 ALA QB 49 PHEF HQD1 28015.00 48 ALA QB 8 VAL HN 15460.56 48 ALA QB 7 THR HN 41933.34 49 PHEF HB2 4 TYRF HQD2 53460.00 49 PHEF HB3 30 PHEF HQE1 29980.00 46 LYS HG2 30 PHEF HQE1 30420.00 46 LYS HB3 37 TRP HE3 12765.00 46 LYS HB2 37 TRP HE3 45565.00 33 LEU QD1 37 TRP HE3 18350.00 46 LYS HG3 37 TRP HE3 45470.00 46 LYS HD2 37 TRP HE3 11048.50 37 TRP HB3 37 TRP HE3 76915.00 37 TRP HB2 37 TRP HE3 14785.00 33 LEU QD1 13 TYRF HD1 18130.00 33 LEU QD1 37 TRP HH2 10412.50 33 LEU QD1 30 PHEF HQD1 79965.00 33 LEU QD1 37 TRP HZ3 9790.00 33 LEU QD2 13 TYRF HQE1 35785.00 33 LEU QD2 13 TYRF HQD1 9134.50 24 ILE QG2 13 TYRF HQE1 41215.00 24 ILE QG2 28 THR HG1 37883.34 24 ILE QG2 28 THR HN 25083.33 28 THR HG1 25 LYS HN 70666.67 33 LEU QD2 37 TRP HD1 10790.00 24 ILE QD1 37 TRP HD1 16750.00 24 ILE HG13 37 TRP HD1 26805.00 30 PHEF HB3 30 PHEF HQD2 172050.00 4 TYRF HB2 30 PHEF HQD1 73760.00 30 PHEF HB2 30 PHEF HQD1 81675.00 30 PHEF HA 30 PHEF HQD1 60720.00 31 GLU HA 30 PHEF HQD2 26156.00 4 TYRF HB3 30 PHEF HQD1 24690.00 30 PHEF HB3 4 TYRF HQE1 36275.00 30 PHEF HB3 4 TYRF HQD1 28035.00 30 PHEF HB2 4 TYRF HQE1 47040.00 30 PHEF HB2 4 TYRF HQD1 58250.00 30 PHEF HB3 13 TYRF HQE2 60255.00 30 PHEF HB2 13 TYRF HQE2 10493.00 24 ILE HB 13 TYRF HQE1 23663.50 19 ASP HB3 13 TYRF HQE1 35095.50 19 ASP HB2 13 TYRF HQE1 38435.00 30 PHEF HA 13 TYRF HQE2 36580.00 18 GLY HA2 13 TYRF HQE1 7239.50 29 LYS HA 13 TYRF HQE2 35775.00 11 TYRF HB2 11 TYRF HQD1 338450.00 6 CYSS HB3 11 TYRF HQD2 24040.00 40 FPR HD2 11 TYRF HQE2 48160.00 13 TYRF HB2 11 TYRF HQE2 116550.00 11 TYRF HA 11 TYRF HQD1 118650.00 39 CYSS HA 49 PHEF HZ 85375.00 39 CYSS HA 49 PHEF HQE1 37304.00 39 CYSS HB3 43 GLY HN 112000.01 39 CYSS HB2 43 GLY HN 12361.11 30 PHEF HB3 13 TYRF HQD2 24471.00 30 PHEF HB2 13 TYRF HQD2 65040.00 49 PHEF HB3 50 GLU HN 32227.78 24 ILE HB 19 ASP HN 163388.89 48 ALA QB 45 SER HN 12533.33 39 CYSS HB3 42 CYSS HN 45111.11 39 CYSS HB2 42 CYSS HN 17120.56 13 TYRF HB2 37 TRP HH2 414135.00 17 LYS HB2 14 ASP HN 35755.56 24 ILE QG2 25 LYS HN 58577.78 33 LEU QD2 34 FPR HD2 60030.00 33 LEU HB3 34 FPR HD2 83805.00 33 LEU QD1 30 PHEF HA 106800.00 33 LEU HB3 37 TRP HB2 27435.00 33 LEU HB3 37 TRP HB3 39485.00 33 LEU QD2 24 ILE QG2 165050.00 33 LEU QD2 24 ILE HG13 389955.00 33 LEU QD2 28 THR QG2 78440.00 10 GLY HN 9 CYSS HN 153580.27 49 PHEF HQD1 48 ALA HN 33511.11 38 ALA QB 39 CYSS HN 99983.34 4 TYRF HN 13 TYRF HN 35135.80 13 TYRF HB2 4 TYRF HN 23138.89 49 PHEF HB3 4 TYRF HD1 194350.00 51 LYS HA 4 TYRF HQD2 24419.00 4 TYRF HA 4 TYRF HE1 5257.50 51 LYS HB3 4 TYRF HQE2 25405.00 51 LYS HG2 4 TYRF HQE2 17723.50 49 PHEF HZ 6 CYSS HN 8382.22 6 CYSS HA 8 VAL HN 22150.00 6 CYSS HB3 8 VAL HN 31461.11 7 THR QG2 7 THR HN 66777.78 10 GLY HN 8 VAL HN 15981.48 44 ALA QB 8 VAL HB 59670.00 9 CYSS HN 11 TYRF HN 40629.63 13 TYRF HB2 30 PHEF HD1 47485.00 13 TYRF HQE1 19 ASP HN 9227.22 13 TYRF HQD1 14 ASP HN 12330.00 15 FPR HA 27 GLY HN 6862.22 3 ILE QG2 4 TYRF HN 72844.45 14 ASP HB3 17 LYS HN 40425.00 16 ALA HA 27 GLY HN 38095.00 16 ALA QB 17 LYS HN 48472.22 17 LYS HB2 18 GLY HN 87233.34 18 GLY HN 27 GLY HN 26391.98 18 GLY HA2 27 GLY HN 132402.78 19 ASP HB3 24 ILE HN 29722.22 24 ILE QD1 25 LYS HN 17531.11 28 THR QG2 32 ASP HN 11874.45 41 VAL QG2 11 TYRF HQD1 99670.00 41 VAL HB 11 TYRF HQD1 13144.50 32 ASP HB2 29 LYS HN 53061.11 46 LYS HG3 30 PHEF HE1 88877.50 46 LYS HD2 30 PHEF HE1 6495.00 39 CYSS HA 41 VAL HN 30579.45 42 CYSS HB2 44 ALA HN 11547.22 46 LYS HA 48 ALA HN 16433.33 51 LYS HA 52 GLN HN 104983.34 51 LYS HG2 52 GLN HN 29033.33 37 TRP HA 37 TRP HD1 94995.00 40 FPR HD3 37 TRP HZ2 70305.00 40 FPR HD3 11 TYRF HQE2 16805.00 40 FPR HD3 37 TRP HH2 20615.00 40 FPR HD2 37 TRP HZ2 22035.50 40 FPR HD2 37 TRP HH2 17830.00 13 TYRF HB2 37 TRP HZ2 19155.00 41 VAL QG2 11 TYRF HE1 16975.00 40 FPR HG3 37 TRP HZ2 98969.50 40 FPR HG3 11 TYRF HE1 10019.00 40 FPR HB2 11 TYRF HE1 22680.00 7 THR HN 9 CYSS HN 13197.53 5 VAL QG2 6 CYSS HN 48122.22 41 VAL HB 42 CYSS HN 116333.34 40 FPR HD2 41 VAL HN 51766.67 39 CYSS HB2 41 VAL HN 14108.89 40 FPR HB2 41 VAL HN 24422.22 40 FPR HA 41 VAL HN 33350.00 43 GLY HN 41 VAL HN 22987.66 42 CYSS HN 44 ALA HN 15781.48 46 LYS HA 49 PHEF HQE1 29565.00 25 LYS HB3 28 THR HG1 15594.45 25 LYS HB2 28 THR HG1 11261.11 44 ALA QB 39 CYSS HN 16000.00 44 ALA QB 49 PHEF HQE1 29320.00 44 ALA QB 49 PHEF HQD1 6489.50 28 THR QG2 13 TYRF HE1 8949.00 49 PHEF HA 49 PHEF HE1 3213.00 18 GLY HA1 13 TYRF HH 178195.00 4 TYRF HB2 4 TYRF HE1 32910.00 4 TYRF HB3 4 TYRF HE1 10438.50 4 TYRF HA 4 TYRF HB3 100455.00 5 VAL HA 5 VAL QG2 37740.00 9 CYSS HA 11 TYRF HN 8513.33 13 TYRF HE1 33 LEU QD1 49260.00 49 PHEF HD1 13 TYRF HB2 41460.00 13 TYRF HD1 13 TYRF HB2 286500.00 19 ASP HA 19 ASP HB2 81615.00 19 ASP HA 19 ASP HB3 32430.00 27 GLY HN 27 GLY HA2 153716.67 31 GLU HN 30 PHEF HB3 48200.00 30 PHEF HE1 33 LEU QD1 49260.00 34 FPR HD3 33 LEU HB3 18886.50 34 FPR HD3 33 LEU QD2 30295.00 24 ILE HG12 33 LEU QD2 6429.00 24 ILE HB 33 LEU QD2 11427.00 34 FPR HD3 24 ILE QD1 61710.00 33 LEU HG 30 PHEF HA 138100.00 37 TRP HA 37 TRP HB2 104925.00 4 TYRF HN 13 TYRF HQD2 11263.33 13 TYRF HH 13 TYRF HD1 14155.50 15 FPR HB2 13 TYRF HQE2 42555.00 15 FPR HA 15 FPR HB2 132585.00 28 THR QG2 32 ASP HB2 90590.00 28 THR QG2 32 ASP HB3 32025.00 39 CYSS HA 40 FPR HD3 228420.00 33 LEU HA 33 LEU HG 80685.00 4 TYRF HA 51 LYS HA 75735.00 13 TYRF HB3 13 TYRF HN 202833.34 13 TYRF HB3 4 TYRF HN 31183.33 13 TYRF HB3 13 TYRF HD1 407400.00 13 TYRF HB3 11 TYRF HQE2 151650.00 46 LYS HD2 33 LEU QD1 15085.00 26 FPR HB2 27 GLY HN 18200.00 46 LYS HB2 30 PHEF HZ 10181.50 24 ILE HA 24 ILE QD1 159300.00 24 ILE HA 24 ILE QG2 131805.00 24 ILE QG2 13 TYRF HH 47610.00 41 VAL QG1 42 CYSS HN 28052.22 41 VAL QG2 11 TYRF HN 15575.00 8 VAL QG2 7 THR HN 17212.22 3 ILE HB 3 ILE HN 106522.23 46 LYS HD2 33 LEU HB3 23330.00 3 ILE HG12 15 FPR HD3 3592.00 3 ILE HG12 15 FPR HD2 22025.50 24 ILE QG2 28 THR HB 183895.00 8 VAL QG1 8 VAL HA 235595.00 41 VAL QG2 41 VAL HA 157915.00 41 VAL QG2 11 TYRF HB2 78775.00 20 FPR HA 23 GLY HN 24050.00 34 FPR HB2 37 TRP HN 35772.22 6 CYSS HB2 11 TYRF HQD2 43105.00 34 FPR HD2 37 TRP HD1 22915.00 39 CYSS HN 49 PHEF HZ 8298.33 40 FPR HD2 49 PHEF HZ 31795.00 4 TYRF HQD2 4 TYRF HN 46127.78 41 VAL QG2 11 TYRF HQD2 99670.00 24 ILE QG2 13 TYRF HQE2 41215.00 33 LEU QD1 30 PHEF HQD2 79965.00 49 PHEF HQD2 49 PHEF HN 105138.89 30 PHEF HQD1 4 TYRF HQD2 52185.00 30 PHEF HQD2 4 TYRF HQD1 52185.00 30 PHEF HQD2 4 TYRF HQD2 22185.00 30 PHEF HB3 4 TYRF HQD2 28035.00 30 PHEF HB2 4 TYRF HQD2 58250.00 4 TYRF HQD1 50 GLU HN 13079.45 4 TYRF HQE2 4 TYRF HN 12291.11 11 TYRF HA 11 TYRF HQD2 118650.00 30 PHEF HB3 13 TYRF HQD1 24381.00 30 PHEF HB2 13 TYRF HQD1 65040.00 30 PHEF HB3 13 TYRF HQE1 60255.00 30 PHEF HB2 13 TYRF HQE1 10493.00 18 GLY HA2 13 TYRF HQE2 7239.50 18 GLY HA1 13 TYRF HQE2 61090.00 33 LEU QD2 13 TYRF HQE2 35785.00 24 ILE HB 13 TYRF HQE2 23663.50 19 ASP HB3 13 TYRF HQE2 35095.50 19 ASP HB2 13 TYRF HQE2 38435.00 30 PHEF HA 13 TYRF HQE1 36580.00 13 TYRF HQE2 19 ASP HN 9227.22 30 PHEF HQD2 4 TYRF HB3 24690.00 30 PHEF HQD2 4 TYRF HB2 73760.00 30 PHEF HA 30 PHEF HQD2 60720.00 31 GLU HA 30 PHEF HQD1 26156.00 49 PHEF HB3 30 PHEF HQE2 29980.00 49 PHEF HB2 30 PHEF HQE2 38070.00 37 TRP HZ3 30 PHEF HQE2 43555.00 46 LYS HG2 30 PHEF HQE2 30420.00 5 VAL HA 49 PHEF HQD1 37545.00 5 VAL HA 49 PHEF HE1 17910.00 11 TYRF HB3 11 TYRF HD1 24040.00 11 TYRF HB3 11 TYRF HN 276888.91 4 TYRF HA 4 TYRF HQD2 31485.00 30 PHEF HB2 4 TYRF HQE2 47040.00 30 PHEF HB3 4 TYRF HQE2 36275.00 6 CYSS HB2 11 TYRF HQD1 43105.00 6 CYSS HB3 11 TYRF HQD1 24040.00 40 FPR HD2 11 TYRF HQE1 48160.00 40 FPR HD3 11 TYRF HQE1 16805.00 46 LYS HA 49 PHEF HQD2 140070.00 48 ALA QB 49 PHEF HQD2 28015.00 4 TYRF HQD1 49 PHEF HQD1 10338.00 49 PHEF HQD1 13 TYRF HN 26466.67 49 PHEF HQD1 6 CYSS HN 40927.78 49 PHEF HQD1 5 VAL HN 13539.45 49 PHEF HQD2 48 ALA HN 33511.11 49 PHEF HQE1 13 TYRF HN 31772.22 49 PHEF HQE1 6 CYSS HN 27188.89 49 PHEF HQE2 39 CYSS HN 42461.11 44 ALA QB 49 PHEF HQE2 28496.50 39 CYSS HA 49 PHEF HQE2 37304.00 46 LYS HA 49 PHEF HQE2 29565.00 33 LEU QD2 13 TYRF HQD2 9134.50 4 TYRF HN 13 TYRF HQD1 11263.33 30 PHEF HB3 30 PHEF HQD1 172050.00 30 PHEF HB2 30 PHEF HQD2 81675.00 46 LYS HG2 46 LYS HN 91711.12 8 VAL QG1 9 CYSS HB3 51820.00 39 CYSS HB2 37 TRP HZ3 14178.00 4 TYRF HB3 5 VAL HN 25361.11 4 TYRF HB3 50 GLU HN 11061.67 39 CYSS HA 11 TYRF HQD2 16680.00 4 TYRF HB3 4 TYRF HQD1 127050.00 4 TYRF HQE1 51 LYS HG2 17723.50 4 TYRF HQE1 51 LYS HB3 25405.00 11 TYRF HB2 11 TYRF HQD2 338450.00 11 TYRF HQE1 49 PHEF HZ 29800.00 30 PHEF HQD1 13 TYRF HQD1 71340.00 30 PHEF HQD2 13 TYRF HQD1 71340.00 30 PHEF HQD2 13 TYRF HQD2 85865.50 15 FPR HA 13 TYRF HQE1 95105.00 29 LYS HA 13 TYRF HQE1 35775.00 44 ALA QB 49 PHEF HQD2 6489.50 4 TYRF HB3 49 PHEF HQD1 144055.00 46 LYS HG3 37 TRP HZ3 8175.00 39 CYSS HB3 43 GLY HA1 16620.00 47 ASP HB2 46 LYS HN 116333.34 27 GLY HN 26 FPR HB3 100988.89 39 CYSS HA 11 TYRF HQD1 16680.00 8 VAL QG2 44 ALA QB 160430.00 41 VAL HB 11 TYRF HQD2 13144.50 39 CYSS HB3 41 VAL HN 17255.56 38 ALA QB 43 GLY HA1 51370.00 9 CYSS HB2 11 TYRF HN 11363.89 11 TYRF HB3 41 VAL HN 17255.56 9 CYSS HB3 10 GLY HN 9395.00 2 ASP HN 2 ASP HB2 32216.67 3 ILE HN 2 ASP HB2 12420.00 39 CYSS HB2 49 PHEF HQE2 188800.00 3 ILE HB 4 TYRF HN 11827.78 12 GLU HG3 4 TYRF HN 3372.78 5 VAL HN 52 GLN HN 25117.29 12 GLU HN 6 CYSS HN 11189.51 11 TYRF HB3 12 GLU HN 14127.78 12 GLU HB3 13 TYRF HN 18100.00 15 FPR HD3 13 TYRF HQD2 21270.00 19 ASP HB3 24 ILE HB 130300.00 19 ASP HB3 24 ILE HG13 30105.00 24 ILE HG12 23 GLY HN 33333.34 28 THR HA 29 LYS HN 2857843.50 47 ASP HB2 48 ALA HN 18422.22 51 LYS HN 50 GLU HN 27574.08 51 LYS HB3 52 GLN HN 17555.56 38 ALA QB 46 LYS HN 10925.56 38 ALA QB 45 SER HN 5753.89 13 TYRF HB3 4 TYRF HD1 12626.00 4 TYRF HD1 13 TYRF HD1 23335.00 13 TYRF HB2 30 PHEF HE1 32460.00 50 GLU HB2 51 LYS HN 16666.67 3 ILE HN 4 TYRF HN 37037.04 4 TYRF HQD1 3 ILE HN 6961.67 4 TYRF HQE1 3 ILE HN 7411.11 3 ILE HN 5 VAL HN 18518.52 5 VAL HN 4 TYRF HN 37037.04 4 TYRF HQE2 3 ILE HN 7411.11 30 PHEF HD1 4 TYRF HQE2 22940.00 4 TYRF HQD2 3 ILE HN 6961.67 4 TYRF HQD1 49 PHEF HQD2 10338.00 4 TYRF HQD2 49 PHEF HQD1 10338.00 15 FPR HB2 13 TYRF HQE1 42555.00 19 ASP HB3 23 GLY HN 16666.67 23 GLY HN 19 ASP HB2 16666.67 7 THR QG2 50 GLU HN 12222.78 51 LYS HA 4 TYRF HQD1 24419.00 2 ASP HB2 4 TYRF HQE1 20610.00 37 TRP HZ3 39 CYSS HN 10325.00 37 TRP HZ3 30 PHEF HZ 12428.00 15 FPR HG2 2 ASP HN 12029.45 12 GLU HB2 5 VAL HA 8047.50 12 GLU HG3 5 VAL HA 3893.50 12 GLU HG2 5 VAL HA 2014.50 12 GLU HB3 5 VAL HA 6704.50 47 ASP HB2 45 SER HB3 4757.50 34 FPR HA 35 ASP HN 62500.00 13 TYRF HQD2 14 ASP HN 12330.00 15 FPR HD2 16 ALA HN 245833.34 33 LEU QD2 24 ILE QD1 121375.00 34 FPR HD2 33 LEU HA 114600.00 27 GLY HN 17 LYS HA 9315.56 25 LYS HA 18 GLY HA2 68930.00 ## UPV constraints 48 ALA HN 48 ALA QB 95755.56 16 ALA HN 16 ALA QB 148444.45 16 ALA HN 16 ALA HA 10438.89 14 ASP HN 14 ASP HB2 41933.34 33 LEU HN 33 LEU HA 36050.00 10 GLY HA1 10 GLY HN 25688.89 46 LYS HA 46 LYS HN 22111.11 33 LEU HA 33 LEU HB3 63485.00 33 LEU QD2 33 LEU HB3 77055.00 33 LEU QD1 33 LEU HB2 84135.00 33 LEU QD1 33 LEU HB3 54670.00 33 LEU QD2 33 LEU HB2 21395.00 4 TYRF HA 4 TYRF HN 15450.00 47 ASP HA 47 ASP HN 28222.22 49 PHEF HA 49 PHEF HN 45588.89 37 TRP HA 37 TRP HN 15688.89 43 GLY HA2 43 GLY HN 27672.22 45 SER HB3 45 SER HN 13838.89 7 THR HA 7 THR HN 20571.11 11 TYRF HA 11 TYRF HN 35472.22 8 VAL HA 8 VAL HN 16466.67 28 THR HB 28 THR HN 71900.00 28 THR HB 28 THR HG1 90527.78 23 GLY HA2 23 GLY HN 451666.69 18 GLY HA1 18 GLY HN 610272.25 10 GLY HA2 10 GLY HN 112188.89 43 GLY HA1 43 GLY HN 120377.78 18 GLY HA2 18 GLY HN 38811.11 49 PHEF HB2 49 PHEF HN 43744.45 31 GLU HA 31 GLU HN 20050.00 42 CYSS HB2 42 CYSS HN 13888.89 9 CYSS HB2 9 CYSS HN 6886.67 30 PHEF HA 30 PHEF HN 22877.78 11 TYRF HB2 11 TYRF HN 286111.12 39 CYSS HB3 39 CYSS HN 90544.45 25 LYS HA 25 LYS HN 21638.89 19 ASP HB3 19 ASP HN 17038.89 37 TRP HB2 37 TRP HN 87250.01 6 CYSS HA 49 PHEF HA 57400.00 32 ASP HB3 32 ASP HN 14000.00 37 TRP HB3 37 TRP HN 100677.78 6 CYSS HB2 10 GLY HN 7652.78 9 CYSS HB3 9 CYSS HN 75638.89 8 VAL HB 8 VAL HN 88411.12 6 CYSS HA 6 CYSS HN 50061.11 6 CYSS HB2 6 CYSS HN 98761.12 30 PHEF HB2 30 PHEF HN 52872.23 42 CYSS HB3 42 CYSS HN 46722.22 4 TYRF HB3 4 TYRF HN 11578.89 49 PHEF HB3 49 PHEF HN 22944.45 32 ASP HB2 32 ASP HN 97911.12 47 ASP HB3 47 ASP HN 5533.33 50 GLU HG2 50 GLU HN 1533.89 29 LYS HB2 29 LYS HN 17316.67 30 PHEF HB3 30 PHEF HN 41461.11 31 GLU HB2 31 GLU HN 12508.33 50 GLU HB2 50 GLU HN 8570.56 24 ILE HB 24 ILE HN 54388.89 17 LYS HB2 17 LYS HN 421050.03 49 PHEF HB3 49 PHEF HA 44855.00 31 GLU HB3 31 GLU HN 10395.00 50 GLU HB3 50 GLU HN 24766.67 25 LYS HG2 25 LYS HN 29794.45 5 VAL HB 5 VAL HA 10082.50 12 GLU HB2 12 GLU HN 32955.56 12 GLU HB3 12 GLU HN 12888.33 24 ILE HG12 24 ILE HN 54055.56 25 LYS HB2 25 LYS HN 97844.45 46 LYS HB2 46 LYS HN 69227.78 29 LYS HD2 29 LYS HN 94594.45 29 LYS HG2 29 LYS HN 85816.67 44 ALA QB 44 ALA HN 106944.45 51 LYS HB2 51 LYS HN 21305.56 24 ILE HG13 24 ILE HN 12618.89 28 THR QG2 28 THR HG1 24955.56 28 THR QG2 28 THR HN 13161.11 3 ILE HG12 4 TYRF HN 52477.78 46 LYS HG3 46 LYS HN 7306.67 8 VAL QG2 8 VAL HN 95805.56 24 ILE QG2 19 ASP HN 39716.67 24 ILE QG2 24 ILE HN 6905.00 24 ILE QD1 24 ILE HN 10252.22 33 LEU HG 33 LEU HN 101305.56 33 LEU HB2 33 LEU HN 128944.45 38 ALA QB 38 ALA HN 65827.78 33 LEU HB3 33 LEU HN 19072.22 33 LEU HB2 34 FPR HD2 15650.00 24 ILE QD1 34 FPR HD2 47575.00 33 LEU QD2 33 LEU HN 9974.45 33 LEU QD1 33 LEU HN 11614.45 33 LEU QD1 33 LEU HA 5841.50 33 LEU QD2 33 LEU HA 96200.00 46 LYS HD2 46 LYS HN 2369.44 5 VAL HB 5 VAL HN 48000.00 37 TRP HB3 37 TRP HD1 12880.00 37 TRP HB2 37 TRP HD1 46255.00 39 CYSS HB2 39 CYSS HN 101888.89 41 VAL HA 41 VAL HN 29222.22 38 ALA HA 38 ALA HN 12633.33 6 CYSS HB3 10 GLY HN 67611.12 28 THR HA 28 THR HG1 3777.78 5 VAL QG2 5 VAL HN 24066.11 39 CYSS HB2 49 PHEF HQE1 82300.00 30 PHEF HA 33 LEU HN 18944.45 32 ASP HN 31 GLU HN 17820.99 37 TRP HZ3 30 PHEF HQE1 20350.00 30 PHEF HQD1 4 TYRF HQD1 8820.00 30 PHEF HD1 4 TYRF HQE1 9695.00 37 TRP HZ3 49 PHEF HD1 5997.00 37 TRP HZ3 49 PHEF HE1 22870.00 37 TRP HZ3 49 PHEF HZ 16900.00 30 PHEF HQD1 13 TYRF HQD2 31200.00 30 PHEF HD1 49 PHEF HD1 4785.50 30 PHEF HE1 49 PHEF HD1 16390.00 4 TYRF HQD2 49 PHEF HQD2 4420.00 28 THR HG1 28 THR HN 56771.61 37 TRP HH2 49 PHEF HZ 42725.00 11 TYRF HQE2 49 PHEF HZ 12000.00 37 TRP HE3 49 PHEF HE1 1637.50 30 PHEF HE1 49 PHEF HE1 2658.00 19 ASP HB3 37 TRP HE1 13122.22 24 ILE HG13 37 TRP HE1 11822.78 24 ILE QD1 37 TRP HE1 3393.33 33 LEU QD2 37 TRP HE1 8257.22 41 VAL HB 41 VAL HN 97861.12 41 VAL QG2 41 VAL HN 43905.56 31 GLU HA 32 ASP HN 6855.56 13 TYRF HE1 13 TYRF HH 135750.00 4 TYRF HB3 4 TYRF HQD2 60300.00 5 VAL HA 6 CYSS HN 135407.78 7 THR HA 8 VAL HN 10133.33 49 PHEF HA 50 GLU HN 100333.34 10 GLY HA2 11 TYRF HN 16457.22 10 GLY HA1 11 TYRF HN 11822.22 18 GLY HA2 19 ASP HN 597055.56 18 GLY HA1 19 ASP HN 31194.45 17 LYS HN 16 ALA HN 106376.55 17 LYS HN 18 GLY HN 145703.72 44 ALA HA 44 ALA HN 28716.67 43 GLY HA2 44 ALA HN 15000.00 43 GLY HA1 44 ALA HN 7811.11 43 GLY HN 44 ALA HN 58685.19 42 CYSS HA 43 GLY HN 5900.00 43 GLY HN 42 CYSS HN 165308.66 45 SER HN 44 ALA HN 3000.00 44 ALA HA 45 SER HN 86549.45 45 SER HA 46 LYS HN 69277.78 38 ALA HA 46 LYS HN 16472.22 47 ASP HN 46 LYS HN 32296.30 27 GLY HA2 28 THR HN 10170.56 29 LYS HA 30 PHEF HN 36233.34 8 VAL HA 9 CYSS HN 7427.78 9 CYSS HA 10 GLY HN 7388.89 12 GLU HA 13 TYRF HN 129833.34 24 ILE HA 25 LYS HN 67277.78 30 PHEF HA 31 GLU HN 5386.67 37 TRP HA 38 ALA HN 65805.56 38 ALA HA 39 CYSS HN 74611.12 4 TYRF HQD1 4 TYRF HN 19555.56 4 TYRF HQE1 4 TYRF HN 4438.89 4 TYRF HA 4 TYRF HQD1 4750.00 5 VAL HA 13 TYRF HN 14144.45 49 PHEF HQD2 13 TYRF HN 18711.11 49 PHEF HQE2 13 TYRF HN 24227.78 49 PHEF HQE2 6 CYSS HN 12722.22 49 PHEF HQD2 6 CYSS HN 15833.33 10 GLY HN 11 TYRF HN 73623.46 3 ILE QG2 13 TYRF HN 15216.67 30 PHEF HE1 30 PHEF HN 41505.56 30 PHEF HQD2 31 GLU HN 7479.44 8 VAL HB 9 CYSS HN 98927.78 39 CYSS HB2 44 ALA HN 28144.45 6 CYSS HB3 9 CYSS HN 35466.67 8 VAL QG1 9 CYSS HN 33500.00 28 THR QG2 29 LYS HN 34961.11 33 LEU QD2 13 TYRF HH 39725.00 28 THR HB 13 TYRF HH 55400.00 28 THR QG2 13 TYRF HH 17225.00 28 THR HN 27 GLY HN 69919.76 49 PHEF HQE1 39 CYSS HN 15277.78 7 THR HN 8 VAL HN 62006.18 18 GLY HA1 13 TYRF HQE1 15895.00 15 FPR HA 13 TYRF HH 30823.50 15 FPR HA 18 GLY HN 9472.22 15 FPR HA 13 TYRF HQE2 19545.00 4 TYRF HA 52 GLN HN 69111.12 49 PHEF HA 7 THR HN 29977.78 46 LYS HA 49 PHEF HQD1 22850.00 49 PHEF HA 49 PHEF HD1 18995.50 5 VAL HA 49 PHEF HQD2 5750.00 49 PHEF HQD1 49 PHEF HN 44888.89 38 ALA HA 37 TRP HE3 9750.00 46 LYS HA 37 TRP HE3 3662.50 46 LYS HA 30 PHEF HZ 16015.00 49 PHEF HB2 30 PHEF HZ 40820.00 49 PHEF HB3 30 PHEF HZ 19935.00 46 LYS HG3 30 PHEF HZ 26690.00 46 LYS HG2 30 PHEF HZ 33380.00 39 CYSS HA 37 TRP HH2 21700.00 6 CYSS HB2 49 PHEF HZ 57205.00 6 CYSS HB2 49 PHEF HE1 52290.00 49 PHEF HB2 49 PHEF HD1 59615.00 4 TYRF HB3 49 PHEF HQD2 52850.00 6 CYSS HA 49 PHEF HD1 12595.00 48 ALA QB 49 PHEF HQD1 9055.00 48 ALA QB 8 VAL HN 11450.56 48 ALA QB 7 THR HN 35733.34 49 PHEF HB2 4 TYRF HQD2 3955.00 49 PHEF HB3 30 PHEF HQE1 9450.00 46 LYS HG2 30 PHEF HQE1 8030.00 46 LYS HB3 37 TRP HE3 11765.00 46 LYS HB2 37 TRP HE3 33035.00 33 LEU QD1 37 TRP HE3 14790.00 46 LYS HG3 37 TRP HE3 34130.00 46 LYS HD2 37 TRP HE3 5467.50 37 TRP HB3 37 TRP HE3 64605.00 37 TRP HB2 37 TRP HE3 11355.00 46 LYS HA 37 TRP HZ3 13384.00 33 LEU QD1 13 TYRF HD1 13290.00 33 LEU QD1 37 TRP HH2 4961.50 33 LEU QD1 30 PHEF HQD1 32250.00 33 LEU QD1 37 TRP HZ3 7400.00 33 LEU QD2 13 TYRF HQE1 12200.00 33 LEU QD2 13 TYRF HQD1 2965.00 24 ILE QG2 13 TYRF HQE1 14750.00 24 ILE QG2 28 THR HG1 32516.67 24 ILE QG2 28 THR HN 7805.56 28 THR HG1 25 LYS HN 32049.38 33 LEU QD2 37 TRP HD1 9430.00 24 ILE QD1 37 TRP HD1 15230.00 24 ILE HG13 37 TRP HD1 17895.00 30 PHEF HB3 30 PHEF HQD2 62000.00 4 TYRF HB2 30 PHEF HQD1 21350.00 30 PHEF HB2 30 PHEF HQD1 39650.00 30 PHEF HA 30 PHEF HQD1 25750.00 31 GLU HA 30 PHEF HQD2 5550.00 4 TYRF HB3 30 PHEF HQD1 7345.00 30 PHEF HB3 4 TYRF HQE1 14050.00 30 PHEF HB3 4 TYRF HQD1 9250.00 30 PHEF HB2 4 TYRF HQE1 21800.00 30 PHEF HB2 4 TYRF HQD1 24400.00 30 PHEF HB3 13 TYRF HQE2 23600.00 30 PHEF HB2 13 TYRF HQE2 2160.00 24 ILE HB 13 TYRF HQE1 4970.00 19 ASP HB3 13 TYRF HQE1 5522.00 19 ASP HB2 13 TYRF HQE1 11080.00 30 PHEF HA 13 TYRF HQE2 10800.00 18 GLY HA2 13 TYRF HQE1 2360.00 29 LYS HA 13 TYRF HQE2 5450.00 11 TYRF HB2 11 TYRF HQD1 136500.00 40 FPR HD2 11 TYRF HQE2 18400.00 11 TYRF HA 11 TYRF HQD1 19300.00 39 CYSS HA 49 PHEF HZ 72605.00 39 CYSS HA 49 PHEF HQE1 8110.00 39 CYSS HB3 43 GLY HN 96333.34 39 CYSS HB2 43 GLY HN 11238.89 30 PHEF HB3 13 TYRF HQD2 6365.00 30 PHEF HB2 13 TYRF HQD2 24150.00 49 PHEF HB3 50 GLU HN 31116.67 24 ILE HB 19 ASP HN 156055.56 48 ALA QB 45 SER HN 11400.00 39 CYSS HB3 42 CYSS HN 38000.00 39 CYSS HB2 42 CYSS HN 8501.67 29 LYS HB2 31 GLU HN 10276.67 29 LYS HB2 30 PHEF HN 12822.22 17 LYS HB2 14 ASP HN 25933.33 24 ILE QG2 25 LYS HN 37488.89 33 LEU QD2 34 FPR HD2 48070.00 33 LEU HB3 34 FPR HD2 79255.00 33 LEU QD1 30 PHEF HA 92340.00 33 LEU HB3 37 TRP HB2 25625.00 33 LEU HB3 37 TRP HB3 34695.00 33 LEU QD2 24 ILE QG2 146850.00 33 LEU QD2 24 ILE HG13 170345.00 33 LEU QD2 28 THR QG2 74540.00 10 GLY HN 9 CYSS HN 137407.42 49 PHEF HQD1 48 ALA HN 9855.56 38 ALA QB 39 CYSS HN 54127.78 4 TYRF HN 13 TYRF HN 26790.13 51 LYS HA 4 TYRF HQD2 13341.00 4 TYRF HA 4 TYRF HE1 1252.50 51 LYS HB3 4 TYRF HQE2 9530.00 51 LYS HG2 4 TYRF HQE2 4905.00 12 GLU HA 6 CYSS HN 11800.00 49 PHEF HZ 6 CYSS HN 6275.56 6 CYSS HA 8 VAL HN 17027.78 7 THR QG2 7 THR HN 47777.78 10 GLY HN 8 VAL HN 13129.63 44 ALA QB 8 VAL HB 57190.00 13 TYRF HQE1 19 ASP HN 1872.22 13 TYRF HQD1 14 ASP HN 4322.22 15 FPR HA 27 GLY HN 5186.67 3 ILE QG2 4 TYRF HN 54044.45 14 ASP HB3 17 LYS HN 19175.00 16 ALA HA 27 GLY HN 14993.89 16 ALA QB 17 LYS HN 37816.67 17 LYS HB2 18 GLY HN 28522.22 18 GLY HN 27 GLY HN 12891.98 18 GLY HA2 27 GLY HN 48863.89 20 FPR HD3 19 ASP HA 18925.00 20 FPR HD2 19 ASP HA 15941.00 19 ASP HB3 24 ILE HN 17433.33 24 ILE QD1 25 LYS HN 11935.56 28 THR QG2 32 ASP HN 10303.33 41 VAL QG2 11 TYRF HQD1 43000.00 41 VAL HB 11 TYRF HQD1 3881.50 32 ASP HB2 29 LYS HN 25427.78 46 LYS HG3 30 PHEF HE1 29942.50 46 LYS HD2 30 PHEF HE1 1665.00 42 CYSS HB2 44 ALA HN 10088.33 46 LYS HA 48 ALA HN 4922.22 51 LYS HA 52 GLN HN 72505.56 51 LYS HG2 52 GLN HN 19277.78 37 TRP HA 37 TRP HD1 31165.00 40 FPR HD3 37 TRP HZ2 55875.00 40 FPR HD3 11 TYRF HQE2 5765.00 40 FPR HD3 37 TRP HH2 19615.00 40 FPR HD2 37 TRP HZ2 10204.50 40 FPR HD2 37 TRP HH2 13010.00 41 VAL QG2 11 TYRF HE1 11965.00 40 FPR HG3 37 TRP HZ2 38930.50 40 FPR HG3 11 TYRF HE1 9019.00 40 FPR HB2 11 TYRF HE1 14740.00 7 THR HN 9 CYSS HN 11962.96 5 VAL QG2 6 CYSS HN 32966.67 39 CYSS HB2 41 VAL HN 8157.78 40 FPR HB2 41 VAL HN 20088.89 40 FPR HA 41 VAL HN 10561.11 43 GLY HN 41 VAL HN 17506.17 42 CYSS HN 44 ALA HN 10218.52 46 LYS HA 49 PHEF HQE1 4425.00 25 LYS HB3 28 THR HG1 12650.00 25 LYS HB2 28 THR HG1 9483.33 44 ALA QB 39 CYSS HN 12444.45 44 ALA QB 49 PHEF HQE1 11015.00 44 ALA QB 49 PHEF HQD1 2405.00 28 THR QG2 13 TYRF HE1 4829.00 49 PHEF HA 49 PHEF HE1 571.00 18 GLY HA1 13 TYRF HH 55400.00 4 TYRF HB2 4 TYRF HE1 10470.00 4 TYRF HB3 4 TYRF HE1 2979.50 4 TYRF HA 4 TYRF HB3 32985.00 5 VAL HA 5 VAL QG2 12080.00 9 CYSS HA 11 TYRF HN 2282.22 19 ASP HA 19 ASP HB2 26705.00 19 ASP HA 19 ASP HB3 10310.00 27 GLY HN 27 GLY HA2 50683.34 31 GLU HN 30 PHEF HB3 15511.11 34 FPR HD3 33 LEU HB3 11733.50 34 FPR HD3 33 LEU QD2 19185.00 24 ILE HG12 33 LEU QD2 1643.00 24 ILE HB 33 LEU QD2 3309.00 34 FPR HD3 24 ILE QD1 20070.00 33 LEU HG 30 PHEF HA 135600.00 37 TRP HA 37 TRP HB2 34475.00 4 TYRF HN 13 TYRF HQD2 1322.22 13 TYRF HH 13 TYRF HD1 4218.50 15 FPR HB2 13 TYRF HQE2 15250.00 15 FPR HA 15 FPR HB2 43695.00 28 THR QG2 32 ASP HB2 68050.00 28 THR QG2 32 ASP HB3 23255.00 39 CYSS HA 40 FPR HD3 136080.00 33 LEU HA 33 LEU HG 26395.00 4 TYRF HA 51 LYS HA 24745.00 13 TYRF HB3 13 TYRF HN 33277.78 13 TYRF HB3 4 TYRF HN 9838.89 13 TYRF HB3 13 TYRF HD1 67500.00 13 TYRF HB3 11 TYRF HQE2 24800.00 46 LYS HD2 33 LEU QD1 12775.00 26 FPR HB2 27 GLY HN 5511.11 46 LYS HB2 30 PHEF HZ 5772.50 24 ILE HA 24 ILE QD1 52600.00 24 ILE HA 24 ILE QG2 43435.00 24 ILE QG2 13 TYRF HH 29630.00 41 VAL QG1 42 CYSS HN 13858.89 41 VAL QG2 11 TYRF HN 10513.89 8 VAL QG2 7 THR HN 12076.67 3 ILE HB 3 ILE HN 100433.34 46 LYS HD2 33 LEU HB3 20390.00 3 ILE HG12 15 FPR HD3 2422.00 3 ILE HG12 15 FPR HD2 10614.50 24 ILE QG2 28 THR HB 116405.00 8 VAL QG1 8 VAL HA 112105.00 41 VAL QG2 41 VAL HA 80185.00 41 VAL QG2 11 TYRF HB2 67325.00 20 FPR HA 23 GLY HN 7461.11 34 FPR HB2 37 TRP HN 23316.67 6 CYSS HB2 11 TYRF HQD2 18350.00 39 CYSS HN 49 PHEF HZ 7152.78 5 VAL HA 49 PHEF HE1 5470.00 8 VAL QG1 9 CYSS HB3 48440.00 39 CYSS HB2 37 TRP HZ3 4226.00 4 TYRF HB3 5 VAL HN 24038.89 4 TYRF HB3 50 GLU HN 3131.67 39 CYSS HA 11 TYRF HQD2 9385.00 46 LYS HG3 37 TRP HZ3 2225.00 8 VAL QG2 44 ALA QB 113470.00 38 ALA QB 43 GLY HA1 36890.00 9 CYSS HB2 11 TYRF HN 8298.33 9 CYSS HB3 10 GLY HN 2576.11 2 ASP HN 2 ASP HB2 10183.33 3 ILE HN 2 ASP HB2 3584.44 3 ILE HB 4 TYRF HN 10716.67 12 GLU HG3 4 TYRF HN 876.11 5 VAL HN 52 GLN HN 14092.59 12 GLU HN 6 CYSS HN 7941.36 11 TYRF HB3 12 GLU HN 9094.45 12 GLU HB3 13 TYRF HN 12922.22 15 FPR HD3 13 TYRF HQD2 3045.00 19 ASP HB3 24 ILE HG13 24715.00 47 ASP HB2 48 ALA HN 16511.11 51 LYS HB3 52 GLN HN 15955.56 38 ALA QB 46 LYS HN 6316.67 38 ALA QB 45 SER HN 4642.78 4 TYRF HD1 13 TYRF HD1 15385.00 13 TYRF HB2 30 PHEF HE1 10320.00 7 THR QG2 50 GLU HN 9977.22 2 ASP HB2 4 TYRF HQE1 15070.00 37 TRP HZ3 39 CYSS HN 2886.11 37 TRP HZ3 30 PHEF HZ 8072.00 15 FPR HG2 2 ASP HN 10170.56 12 GLU HB2 5 VAL HA 4126.50 12 GLU HG3 5 VAL HA 1894.50 12 GLU HG2 5 VAL HA 171.50 5 VAL HA 12 GLU HB3 1924.00 34 FPR HA 35 ASP HN 20277.78 33 LEU QD2 24 ILE QD1 106125.00 34 FPR HD2 33 LEU HA 95100.00 27 GLY HN 17 LYS HA 3713.33
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