NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
25829 |
2kch   |
16074 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!# 1 CYSS HA 2 GLY HN 3.48 #peak 1 !# 1 CYSS HN 1 CYSS HB1 3.36 #peak 2 !# 1 CYSS HB1 2 GLY HN 4.45 #peak 3 !# 1 CYSS HB1 3 GLU HN 3.67 #peak 4 !# 1 CYSS HN 1 CYSS HB2 3.36 #peak 6 !# 1 CYSS HB2 2 GLY HN 4.45 #peak 8 !# 1 CYSS HB2 3 GLU HN 3.67 #peak 9 !# 1 CYSS HN 2 GLY HN 2.93 #peak 10 !# 1 CYSS HN 29 VAL HN 3.21 #peak 11 !# 2 GLY HA1 3 GLU HN 3.52 #peak 13 !# 2 GLY HA2 3 GLU HN 3.52 #peak 16 !# 3 GLU HA 4 THR HN 2.52 #peak 18 !# 3 GLU HN 3 GLU HB1 3.95 #peak 19 !# 3 GLU HB1 4 THR HN 3.64 #peak 20 !# 3 GLU HN 3 GLU HB2 3.95 #peak 22 !# 3 GLU HB2 4 THR HN 3.64 #peak 23 !# 2 GLY HN 3 GLU HN 3.14 #peak 30 !# 4 THR HA 22 CYSS HN 3.11 #peak 32 !# 5 CYSS HA 6 PHE HN 3.02 #peak 37 !# 5 CYSS HA 7 GLY HN 3.67 #peak 38 !# 5 CYSS HA 8 GLY HN 3.98 #peak 39 !# 5 CYSS HB1 6 PHE HN 4.82 #peak 42 !# 5 CYSS HB1 8 GLY HN 4.04 #peak 43 !# 5 CYSS HB2 6 PHE HN 4.82 #peak 47 !# 5 CYSS HB2 8 GLY HN 4.04 #peak 48 !# 5 CYSS HN 6 PHE HN 3.52 #peak 50 !# 6 PHE HA 8 GLY HN 4.54 #peak 53 !# 6 PHE HN 6 PHE QB 4.02 #peak 57 !# 6 PHE QB 7 GLY HN 4.46 #peak 58 !# 6 PHE HN 7 GLY HN 3.36 #peak 65 !# 7 GLY HN 8 GLY HN 3.27 #peak 73 !# 9 THR HN 9 THR HA 2.93 #peak 75 !# 9 THR HN 9 THR HB 3.24 #peak 76 !# 9 THR HB 10 CYSS HN 3.27 #peak 77 !# 8 GLY HN 9 THR HN 3.30 #peak 78 !# 10 CYSS HA 11 ASN HN 3.05 #peak 81 !# 10 CYSS HA 12 THR HN 4.11 #peak 82 !# 10 CYSS HN 10 CYSS HB1 3.45 #peak 83 !# 10 CYSS HB1 11 ASN HN 4.07 #peak 84 !# 10 CYSS HB1 12 THR HN 4.01 #peak 85 !# 10 CYSS HN 10 CYSS HB2 3.45 #peak 87 !# 10 CYSS HB2 11 ASN HN 4.07 #peak 88 !# 10 CYSS HB2 12 THR HN 4.01 #peak 89 !# 11 ASN HN 11 ASN QB 4.15 #peak 94 !# 11 ASN QB 12 THR HN 4.86 #peak 95 !# 11 ASN HN 12 THR HN 3.05 #peak 97 !# 13 PRO HA 14 GLY HN 2.56 #peak 102 !# 13 PRO HA 15 CYSS HN 3.42 #peak 103 !# 14 GLY HN 14 GLY HA1 2.56 #peak 110 !# 14 GLY HN 14 GLY HA2 2.56 #peak 112 !# 15 CYSS HA 16 SER HN 2.52 #peak 115 !# 15 CYSS HA 23 THR HN 4.11 #peak 116 !# 15 CYSS HN 15 CYSS HB1 3.11 #peak 118 !# 15 CYSS HN 15 CYSS HB2 3.11 #peak 122 !# 14 GLY HN 15 CYSS HN 3.11 #peak 126 !# 15 CYSS HN 16 SER HN 4.23 #peak 127 !# 16 SER HN 16 SER HB1 3.36 #peak 129 !# 16 SER HN 16 SER HB2 3.36 #peak 130 !# 16 SER HN 23 THR HN 3.14 #peak 131 !# 17 CYSS HA 18 THR HN 2.68 #peak 132 !# 17 CYSS HA 23 THR HN 3.67 #peak 133 !# 17 CYSS HN 17 CYSS HB1 3.08 #peak 134 !# 17 CYSS HN 17 CYSS HB2 3.08 #peak 136 !# 19 TRP HA 21 ILE HN 3.14 #peak 144 !# 19 TRP HN 19 TRP QB 3.78 #peak 149 !# 19 TRP HA 20 PRO HA 2.83 #peak 150 !# 20 PRO HA 21 ILE HN 3.27 #peak 153 !# 5 CYSS HN 21 ILE HA 3.24 #peak 184 !# 21 ILE HA 22 CYSS HN 2.62 #peak 186 !# 21 ILE HB 22 CYSS HN 3.83 #peak 187 !# 16 SER HN 22 CYSS HA 3.76 #peak 198 !# 22 CYSS HB1 23 THR HN 3.92 #peak 201 !# 22 CYSS HB2 23 THR HN 3.92 #peak 203 !# 5 CYSS HN 22 CYSS HN 3.48 #peak 204 !# 21 ILE HN 22 CYSS HN 4.17 #peak 205 !# 22 CYSS HN 23 THR HN 4.20 #peak 206 !# 23 THR HN 23 THR HB 3.76 #peak 207 !# 23 THR HB 26 GLY HN 3.27 #peak 208 !# 23 THR HB 27 LEU HN 3.27 #peak 209 !# 15 CYSS HA 24 ARG HA 4.07 #peak 215 !# 16 SER HN 24 ARG HA 4.32 #peak 216 !# 24 ARG HA 26 GLY HN 4.20 #peak 218 !# 24 ARG HN 24 ARG HB1 2.99 #peak 220 !# 24 ARG HB1 25 ASP HN 3.33 #peak 222 !# 24 ARG HN 24 ARG HB2 2.99 #peak 224 !# 24 ARG HB2 25 ASP HN 3.33 #peak 226 !# 23 THR HN 24 ARG HN 3.67 #peak 227 !# 24 ARG HN 25 ASP HN 3.86 #peak 228 !# 25 ASP HA 26 GLY HN 3.11 #peak 234 !# 25 ASP HN 25 ASP HB1 3.67 #peak 235 !# 25 ASP HN 25 ASP HB2 3.67 #peak 237 !# 25 ASP HN 26 GLY HN 3.17 #peak 244 !# 27 LEU HN 27 LEU HB1 3.05 #peak 247 !# 27 LEU HN 27 LEU HB2 3.05 #peak 248 !# 24 ARG HN 27 LEU HN 3.27 #peak 250 !# 25 ASP HN 27 LEU HN 4.35 #peak 251 !# 26 GLY HN 27 LEU HN 3.21 #peak 252 !# 1 CYSS HN 28 PRO HA 3.48 #peak 256 !# 28 PRO HA 29 VAL HN 2.65 #peak 257 !# 1 CYSS HN 29 VAL HA 3.30 #peak 258 !# 29 VAL HN 29 VAL HA 2.83 #peak 259 !# 29 VAL HN 29 VAL HB 3.08 #peak 260 !# 3 GLU HN 3 GLU HG1 3.58 #peak 25 !# 3 GLU HN 3 GLU HG2 3.58 #peak 28 !# 6 PHE HA 19 TRP HE1 3.11 #peak 54 !# 6 PHE QB 19 TRP HE1 6.38 #peak 59 !# 8 GLY HA1 19 TRP HD1 4.32 #peak 69 !# 8 GLY HA2 19 TRP HD1 4.32 #peak 72 !# 8 GLY HN 19 TRP HE1 5.25 #peak 74 !# 19 TRP HA 19 TRP HD1 3.52 #peak 142 !# 8 GLY HN 19 TRP HD1 4.45 #peak 145 !# 19 TRP HD1 20 PRO HA 4.11 #peak 151 !# 19 TRP HE1 20 PRO HA 5.50 #peak 152 !# 19 TRP HE3 20 PRO HB1 4.38 #peak 156 !# 19 TRP HZ3 20 PRO HB1 5.16 #peak 158 !# 19 TRP HE3 20 PRO HB2 4.38 #peak 163 !# 19 TRP HZ3 20 PRO HB2 5.16 #peak 166 !# 24 ARG HB1 24 ARG HE 3.95 #peak 219 !# 24 ARG HB1 24 ARG QD 3.99 #peak 221 !# 24 ARG HB2 24 ARG HE 3.95 #peak 223 !# 24 ARG HB2 24 ARG QD 3.99 #peak 225 !# 24 ARG HN 24 ARG QD 6.38 #peak 230 !# 24 ARG QG 25 ASP HN 6.26 #peak 233 !# 27 LEU HN 27 LEU HG 3.70 #peak 249 !# 4 THR HN 4 THR QG2 4.60 #peak 33 !# 4 THR QG2 5 CYSS HN 4.94 #peak 34 !# 4 THR QG2 22 CYSS HN 6.39 #peak 35 !# 9 THR HN 9 THR QG2 5.15 #peak 79 !# 9 THR QG2 10 CYSS HN 4.72 #peak 80 !# 12 THR HN 12 THR QG2 5.68 #peak 99 !# 12 THR QG2 13 PRO QD 5.45 #peak 100 !# 12 THR QG2 15 CYSS HN 5.81 #peak 101 !# 18 THR HN 18 THR QG2 5.37 #peak 140 !# 18 THR QG2 19 TRP HN 5.56 #peak 141 !# 21 ILE HN 21 ILE QD1 4.69 #peak 193 !# 21 ILE QD1 22 CYSS HN 4.85 #peak 194 !# 19 TRP HZ3 21 ILE QG2 6.52 #peak 195 !# 21 ILE QG2 22 CYSS HN 6.30 #peak 197 !# 23 THR HN 23 THR QG2 4.91 #peak 211 !# 23 THR QG2 24 ARG HN 4.16 #peak 212 !# 23 THR QG2 26 GLY HN 6.24 #peak 213 !# 23 THR QG2 27 LEU HN 4.75 #peak 214 !# 27 LEU HN 27 LEU QD1 5.87 #peak 254 !# 27 LEU HN 27 LEU QD2 5.87 #peak 255 !# 1 CYSS HN 29 VAL QQG 6.76 #peak 261 !# 24 ARG QD 29 VAL QQG 8.02 #peak 262 !# 29 VAL HN 29 VAL QQG 5.06 #peak 263 !# 1 CYSS HN 1 CYSS QB 2.90 #peak 2 !# 1 CYSS QB 2 GLY QA 3.56 #peak 7 !# 1 CYSS QB 3 GLU HN 3.15 #peak 4 !# 2 GLY HN 2 GLY QA 2.56 #peak 15 !# 2 GLY QA 3 GLU HN 3.04 #peak 16 !# 3 GLU QG 4 THR HN 4.12 #peak 29 !# 3 GLU QG 22 CYSS QB 4.01 #peak 26 !# 5 CYSS HN 5 CYSS QB 3.43 #peak 41 !# 5 CYSS HN 20 PRO QB 5.03 #peak 154 !# 5 CYSS QB 6 PHE HN 4.07 #peak 47 !# 5 CYSS QB 6 PHE QB 6.16 #peak 55 !# 5 CYSS QB 8 GLY HN 3.25 #peak 48 !# 5 CYSS QB 9 THR HN 3.67 #peak 44 !# 5 CYSS QB 10 CYSS HN 5.29 #peak 49 !# 8 GLY HN 8 GLY QA 2.54 #peak 70 !# 8 GLY QA 19 TRP HD1 3.46 #peak 72 !# 10 CYSS HN 10 CYSS QB 2.90 #peak 87 !# 10 CYSS QB 11 ASN HN 3.42 #peak 84 !# 10 CYSS QB 12 THR QG2 4.87 #peak 98 !# 13 PRO QB 14 GLY HN 3.26 #peak 105 !# 13 PRO QG 14 GLY HN 5.03 #peak 108 !# 14 GLY HN 14 GLY QA 2.20 #peak 110 !# 14 GLY QA 15 CYSS HN 3.09 #peak 113 !# 15 CYSS HN 15 CYSS QB 2.65 #peak 118 !# 15 CYSS QB 16 SER HN 3.12 #peak 123 !# 15 CYSS QB 22 CYSS QB 4.59 #peak 124 !# 15 CYSS QB 23 THR HN 4.94 #peak 125 !# 17 CYSS QB 18 THR HN 3.67 #peak 137 !# 19 TRP HD1 20 PRO QB 5.34 #peak 155 !# 19 TRP HE3 20 PRO QB 3.82 #peak 163 !# 19 TRP HE3 20 PRO QD 3.94 #peak 173 !# 19 TRP HE1 20 PRO QB 5.34 #peak 162 !# 19 TRP HZ3 20 PRO QD 5.14 #peak 174 !# 19 TRP HZ2 20 PRO QB 5.34 #peak 165 !# 19 TRP HH2 20 PRO QB 4.57 #peak 157 !# 20 PRO QD 21 ILE HN 3.18 #peak 177 !# 20 PRO QD 21 ILE QG1 4.06 #peak 189 !# 21 ILE HN 21 ILE QG1 3.60 #peak 191 !# 22 CYSS HN 22 CYSS QB 2.65 #peak 200 !# 22 CYSS QB 23 THR HN 3.33 #peak 203 !# 24 ARG HN 27 LEU QB 3.79 #peak 246 !# 24 ARG QB 24 ARG HE 3.45 #peak 219 !# 25 ASP QB 27 LEU HN 3.94 #peak 238 !# 25 ASP QB 27 LEU QQD 6.19 #peak 253 !# 26 GLY HN 26 GLY QA 2.49 #peak 242 !# 27 LEU HN 27 LEU QB 2.66 #peak 248 !# 27 LEU HN 27 LEU QQD 4.58 #peak 255 assign (resid 1 and name HA) (resid 2 and name HN) 2.640 0.840 0.840 assign (resid 1 and name HN) (resid 1 and name HB3) 2.580 0.780 0.780 assign (resid 1 and name HB3) (resid 2 and name HN) 3.125 1.325 1.325 assign (resid 1 and name HB3) (resid 3 and name HN) 2.735 0.935 0.935 assign (resid 1 and name HN) (resid 1 and name HB2) 2.580 0.780 0.780 assign (resid 1 and name HB2) (resid 2 and name HN) 3.125 1.325 1.325 assign (resid 1 and name HB2) (resid 3 and name HN) 2.735 0.935 0.935 assign (resid 1 and name HN) (resid 2 and name HN) 2.365 0.565 0.565 assign (resid 1 and name HN) (resid 29 and name HN) 2.505 0.705 0.705 assign (resid 2 and name HA1) (resid 3 and name HN) 2.660 0.860 0.860 assign (resid 2 and name HA2) (resid 3 and name HN) 2.660 0.860 0.860 assign (resid 3 and name HA) (resid 4 and name HN) 2.160 0.360 0.360 assign (resid 3 and name HN) (resid 3 and name HB3) 2.875 1.075 1.075 assign (resid 3 and name HB3) (resid 4 and name HN) 2.720 0.920 0.920 assign (resid 3 and name HN) (resid 3 and name HB2) 2.875 1.075 1.075 assign (resid 3 and name HB2) (resid 4 and name HN) 2.720 0.920 0.920 assign (resid 2 and name HN) (resid 3 and name HN) 2.470 0.670 0.670 assign (resid 4 and name HA) (resid 22 and name HN) 2.455 0.655 0.655 assign (resid 5 and name HA) (resid 6 and name HN) 2.410 0.610 0.610 assign (resid 5 and name HA) (resid 7 and name HN) 2.735 0.935 0.935 assign (resid 5 and name HA) (resid 8 and name HN) 2.890 1.090 1.090 assign (resid 5 and name HB3) (resid 6 and name HN) 3.310 1.510 1.510 assign (resid 5 and name HB3) (resid 8 and name HN) 2.920 1.120 1.120 assign (resid 5 and name HB2) (resid 6 and name HN) 3.310 1.510 1.510 assign (resid 5 and name HB2) (resid 8 and name HN) 2.920 1.120 1.120 assign (resid 5 and name HN) (resid 6 and name HN) 2.660 0.860 0.860 assign (resid 6 and name HA) (resid 8 and name HN) 3.170 1.370 1.370 assign (resid 6 and name HN) (resid 6 and name HB#) 2.910 1.110 1.110 assign (resid 6 and name HB#) (resid 7 and name HN) 3.130 1.330 1.330 assign (resid 6 and name HN) (resid 7 and name HN) 2.580 0.780 0.780 assign (resid 7 and name HN) (resid 8 and name HN) 2.535 0.735 0.735 assign (resid 9 and name HN) (resid 9 and name HA) 2.365 0.565 0.565 assign (resid 9 and name HN) (resid 9 and name HB) 2.520 0.720 0.720 assign (resid 9 and name HB) (resid 10 and name HN) 0.000 0.000 3.500 ! 120607 set to 3.5 assign (resid 8 and name HN) (resid 9 and name HN) 2.550 0.750 0.750 assign (resid 10 and name HA) (resid 11 and name HN) 2.425 0.625 0.625 assign (resid 10 and name HA) (resid 12 and name HN) 2.955 1.155 1.155 assign (resid 10 and name HN) (resid 10 and name HB3) 2.625 0.825 0.825 assign (resid 10 and name HB3) (resid 11 and name HN) 2.935 1.135 1.135 assign (resid 10 and name HB3) (resid 12 and name HN) 2.905 1.105 1.105 assign (resid 10 and name HN) (resid 10 and name HB2) 2.625 0.825 0.825 assign (resid 10 and name HB2) (resid 11 and name HN) 2.935 1.135 1.135 assign (resid 10 and name HB2) (resid 12 and name HN) 2.905 1.105 1.105 assign (resid 11 and name HN) (resid 11 and name HB#) 2.975 1.175 1.175 assign (resid 11 and name HB#) (resid 12 and name HN) 3.330 1.530 1.530 assign (resid 11 and name HN) (resid 12 and name HN) 2.425 0.625 0.625 assign (resid 13 and name HA) (resid 14 and name HN) 2.180 0.380 0.380 assign (resid 13 and name HA) (resid 15 and name HN) 2.610 0.810 0.810 assign (resid 14 and name HN) (resid 14 and name HA1) 0.000 0.000 3.000 ! 100607 set to 3 assign (resid 14 and name HN) (resid 14 and name HA2) 2.180 0.380 0.380 assign (resid 15 and name HA) (resid 16 and name HN) 2.160 0.360 0.360 assign (resid 15 and name HA) (resid 23 and name HN) 2.955 1.155 1.155 assign (resid 15 and name HN) (resid 15 and name HB3) 2.455 0.655 0.655 assign (resid 15 and name HN) (resid 15 and name HB2) 2.455 0.655 0.655 assign (resid 14 and name HN) (resid 15 and name HN) 2.455 0.655 0.655 assign (resid 15 and name HN) (resid 16 and name HN) 0.000 0.000 4.500 ! 120607 set to 4.5 assign (resid 16 and name HN) (resid 16 and name HB3) 2.580 0.780 0.780 assign (resid 16 and name HN) (resid 16 and name HB2) 2.580 0.780 0.780 assign (resid 16 and name HN) (resid 23 and name HN) 2.470 0.670 0.670 assign (resid 17 and name HA) (resid 18 and name HN) 2.240 0.440 0.440 assign (resid 17 and name HA) (resid 23 and name HN) 2.735 0.935 0.935 assign (resid 17 and name HN) (resid 17 and name HB3) 2.440 0.640 0.640 assign (resid 17 and name HN) (resid 17 and name HB2) 2.440 0.640 0.640 assign (resid 19 and name HA) (resid 21 and name HN) 2.470 0.670 0.670 assign (resid 19 and name HN) (resid 19 and name HB#) 2.790 0.990 0.990 assign (resid 19 and name HA) (resid 20 and name HA) 2.315 0.515 0.515 assign (resid 20 and name HA) (resid 21 and name HN) 2.535 0.735 0.735 assign (resid 5 and name HN) (resid 21 and name HA) 2.520 0.720 0.720 assign (resid 21 and name HA) (resid 22 and name HN) 2.210 0.410 0.410 assign (resid 21 and name HB) (resid 22 and name HN) 2.815 1.015 1.015 assign (resid 16 and name HN) (resid 22 and name HA) 0.000 0.000 4.500 ! 150607 set to 4.5 assign (resid 22 and name HB3) (resid 23 and name HN) 2.860 1.060 1.060 assign (resid 22 and name HB2) (resid 23 and name HN) 2.860 1.060 1.060 assign (resid 5 and name HN) (resid 22 and name HN) 2.640 0.840 0.840 assign (resid 21 and name HN) (resid 22 and name HN) 2.985 1.185 1.185 assign (resid 22 and name HN) (resid 23 and name HN) 0.000 0.000 4.500 ! 120607 set to 4.5 assign (resid 23 and name HN) (resid 23 and name HB) 2.780 0.980 0.980 assign (resid 23 and name HB) (resid 26 and name HN) 2.535 0.735 0.735 assign (resid 23 and name HB) (resid 27 and name HN) 2.535 0.735 0.735 assign (resid 15 and name HA) (resid 24 and name HA) 2.935 1.135 1.135 assign (resid 16 and name HN) (resid 24 and name HA) 3.060 1.260 1.260 assign (resid 24 and name HA) (resid 26 and name HN) 3.000 1.200 1.200 assign (resid 24 and name HN) (resid 24 and name HB3) 2.395 0.595 0.595 assign (resid 24 and name HB3) (resid 25 and name HN) 2.565 0.765 0.765 assign (resid 24 and name HN) (resid 24 and name HB2) 0.000 0.000 3.500 ! 110607 set to 3.5 assign (resid 24 and name HB2) (resid 25 and name HN) 2.565 0.765 0.765 assign (resid 23 and name HN) (resid 24 and name HN) 0.000 0.000 5.000 ! 100607 set to 5 assign (resid 24 and name HN) (resid 25 and name HN) 0.000 0.000 4.500 ! 110607 set to 4.5 assign (resid 25 and name HA) (resid 26 and name HN) 2.455 0.655 0.655 assign (resid 25 and name HN) (resid 25 and name HB3) 2.735 0.935 0.935 assign (resid 25 and name HN) (resid 25 and name HB2) 2.735 0.935 0.935 assign (resid 25 and name HN) (resid 26 and name HN) 2.485 0.685 0.685 assign (resid 27 and name HN) (resid 27 and name HB3) 2.425 0.625 0.625 assign (resid 27 and name HN) (resid 27 and name HB2) 2.425 0.625 0.625 assign (resid 24 and name HN) (resid 27 and name HN) 2.535 0.735 0.735 assign (resid 25 and name HN) (resid 27 and name HN) 3.075 1.275 1.275 assign (resid 26 and name HN) (resid 27 and name HN) 2.505 0.705 0.705 assign (resid 1 and name HN) (resid 28 and name HA) 2.640 0.840 0.840 assign (resid 28 and name HA) (resid 29 and name HN) 2.225 0.425 0.425 assign (resid 1 and name HN) (resid 29 and name HA) 2.550 0.750 0.750 assign (resid 29 and name HN) (resid 29 and name HA) 2.315 0.515 0.515 assign (resid 29 and name HN) (resid 29 and name HB) 2.440 0.640 0.640 assign (resid 3 and name HN) (resid 3 and name HG1) 2.690 0.890 0.890 assign (resid 3 and name HN) (resid 3 and name HG2) 2.690 0.890 0.890 assign (resid 6 and name HA) (resid 19 and name HE1) 2.455 0.655 0.655 assign (resid 6 and name HB#) (resid 19 and name HE1) 4.090 2.290 2.290 assign (resid 8 and name HA1) (resid 19 and name HD1) 3.060 1.260 1.260 assign (resid 8 and name HA2) (resid 19 and name HD1) 3.060 1.260 1.260 assign (resid 8 and name HN) (resid 19 and name HE1) 3.525 1.725 1.725 assign (resid 19 and name HA) (resid 19 and name HD1) 2.660 0.860 0.860 assign (resid 8 and name HN) (resid 19 and name HD1) 3.125 1.325 1.325 assign (resid 19 and name HD1) (resid 20 and name HA) 2.955 1.155 1.155 assign (resid 19 and name HE1) (resid 20 and name HA) 3.650 1.850 1.850 assign (resid 19 and name HE3) (resid 20 and name HB3) 3.090 1.290 1.290 assign (resid 19 and name HZ3) (resid 20 and name HB3) 3.480 1.680 1.680 assign (resid 19 and name HE3) (resid 20 and name HB2) 3.090 1.290 1.290 assign (resid 19 and name HZ3) (resid 20 and name HB2) 3.480 1.680 1.680 assign (resid 24 and name HB3) (resid 24 and name HE) 2.875 1.075 1.075 assign (resid 24 and name HB3) (resid 24 and name HD#) 2.895 1.095 1.095 assign (resid 24 and name HB2) (resid 24 and name HE) 2.875 1.075 1.075 assign (resid 24 and name HB2) (resid 24 and name HD#) 2.895 1.095 1.095 assign (resid 24 and name HN) (resid 24 and name HD#) 4.090 2.290 2.290 assign (resid 24 and name HG#) (resid 25 and name HN) 4.030 2.230 2.230 assign (resid 27 and name HN) (resid 27 and name HG) 2.750 0.950 0.950 assign (resid 4 and name HN) (resid 4 and name HG2#) 3.200 1.400 1.400 assign (resid 4 and name HG2#) (resid 5 and name HN) 3.370 1.570 1.570 assign (resid 4 and name HG2#) (resid 22 and name HN) 4.095 2.295 2.295 assign (resid 9 and name HN) (resid 9 and name HG2#) 3.475 1.675 1.675 assign (resid 9 and name HG2#) (resid 10 and name HN) 3.260 1.460 1.460 assign (resid 12 and name HN) (resid 12 and name HG2#) 3.740 1.940 1.940 assign (resid 12 and name HG2#) (resid 13 and name HD#) 3.625 1.825 1.825 assign (resid 12 and name HG2#) (resid 15 and name HN) 3.805 2.005 2.005 assign (resid 18 and name HN) (resid 18 and name HG2#) 3.585 1.785 1.785 assign (resid 18 and name HG2#) (resid 19 and name HN) 3.680 1.880 1.880 assign (resid 21 and name HN) (resid 21 and name HD1#) 3.245 1.445 1.445 assign (resid 21 and name HD1#) (resid 22 and name HN) 3.325 1.525 1.525 assign (resid 19 and name HZ3) (resid 21 and name HG2#) 4.160 2.360 2.360 assign (resid 21 and name HG2#) (resid 22 and name HN) 4.050 2.250 2.250 assign (resid 23 and name HN) (resid 23 and name HG2#) 3.355 1.555 1.555 assign (resid 23 and name HG2#) (resid 24 and name HN) 2.980 1.180 1.180 assign (resid 23 and name HG2#) (resid 26 and name HN) 4.020 2.220 2.220 assign (resid 23 and name HG2#) (resid 27 and name HN) 3.275 1.475 1.475 assign (resid 27 and name HN) (resid 27 and name HD1#) 3.835 2.035 2.035 assign (resid 27 and name HN) (resid 27 and name HD2#) 3.835 2.035 2.035 assign (resid 1 and name HN) (resid 29 and name HG*) 4.280 2.480 2.480 assign (resid 24 and name HD#) (resid 29 and name HG*) 4.910 3.110 3.110 assign (resid 29 and name HN) (resid 29 and name HG*) 3.430 1.630 1.630 assign (resid 1 and name HN) (resid 1 and name HB#) 2.350 0.550 0.550 assign (resid 1 and name HB#) (resid 2 and name HA#) 0.000 0.000 4.000 ! 120607 set to 4.0 assign (resid 1 and name HB#) (resid 3 and name HN) 2.475 0.675 0.675 assign (resid 2 and name HN) (resid 2 and name HA#) 2.180 0.380 0.380 assign (resid 2 and name HA#) (resid 3 and name HN) 2.420 0.620 0.620 assign (resid 3 and name HG#) (resid 4 and name HN) 2.960 1.160 1.160 assign (resid 3 and name HG#) (resid 22 and name HB#) 2.905 1.105 1.105 assign (resid 5 and name HN) (resid 5 and name HB#) 2.615 0.815 0.815 assign (resid 5 and name HN) (resid 20 and name HB#) 3.415 1.615 1.615 assign (resid 5 and name HB#) (resid 6 and name HN) 2.935 1.135 1.135 assign (resid 5 and name HB#) (resid 6 and name HB#) 3.980 2.180 2.180 assign (resid 5 and name HB#) (resid 8 and name HN) 2.525 0.725 0.725 assign (resid 5 and name HB#) (resid 9 and name HN) 2.735 0.935 0.935 assign (resid 5 and name HB#) (resid 10 and name HN) 3.545 1.745 1.745 assign (resid 8 and name HN) (resid 8 and name HA#) 2.170 0.370 0.370 assign (resid 8 and name HA#) (resid 19 and name HD1) 2.630 0.830 0.830 assign (resid 10 and name HN) (resid 10 and name HB#) 2.350 0.550 0.550 assign (resid 10 and name HB#) (resid 11 and name HN) 2.610 0.810 0.810 assign (resid 10 and name HB#) (resid 12 and name HG2#) 3.335 1.535 1.535 assign (resid 13 and name HB#) (resid 14 and name HN) 2.530 0.730 0.730 assign (resid 13 and name HG#) (resid 14 and name HN) 3.415 1.615 1.615 assign (resid 14 and name HN) (resid 14 and name HA#) 2.000 0.200 0.200 assign (resid 14 and name HA#) (resid 15 and name HN) 2.445 0.645 0.645 assign (resid 15 and name HN) (resid 15 and name HB#) 2.225 0.425 0.425 assign (resid 15 and name HB#) (resid 16 and name HN) 2.460 0.660 0.660 assign (resid 15 and name HB#) (resid 22 and name HB#) 3.195 1.395 1.395 assign (resid 15 and name HB#) (resid 23 and name HN) 3.370 1.570 1.570 assign (resid 17 and name HB#) (resid 18 and name HN) 2.735 0.935 0.935 assign (resid 19 and name HD1) (resid 20 and name HB#) 3.570 1.770 1.770 assign (resid 19 and name HE3) (resid 20 and name HB#) 2.810 1.010 1.010 assign (resid 19 and name HE3) (resid 20 and name HD#) 2.870 1.070 1.070 assign (resid 19 and name HE1) (resid 20 and name HB#) 3.570 1.770 1.770 assign (resid 19 and name HZ3) (resid 20 and name HD#) 3.470 1.670 1.670 assign (resid 19 and name HZ2) (resid 20 and name HB#) 3.570 1.770 1.770 assign (resid 19 and name HH2) (resid 20 and name HB#) 3.185 1.385 1.385 assign (resid 20 and name HD#) (resid 21 and name HN) 2.490 0.690 0.690 assign (resid 20 and name HD#) (resid 21 and name HG1#) 2.930 1.130 1.130 assign (resid 21 and name HN) (resid 21 and name HG1#) 2.700 0.900 0.900 assign (resid 22 and name HN) (resid 22 and name HB#) 2.225 0.425 0.425 assign (resid 22 and name HB#) (resid 23 and name HN) 2.565 0.765 0.765 assign (resid 24 and name HN) (resid 27 and name HB#) 2.795 0.995 0.995 assign (resid 24 and name HB#) (resid 24 and name HE) 2.625 0.825 0.825 assign (resid 25 and name HB#) (resid 27 and name HN) 2.870 1.070 1.070 assign (resid 25 and name HB#) (resid 27 and name HD#) 3.995 2.195 2.195 assign (resid 26 and name HN) (resid 26 and name HA#) 2.145 0.345 0.345 assign (resid 27 and name HN) (resid 27 and name HB#) 2.230 0.430 0.430 assign (resid 27 and name HN) (resid 27 and name HD#) 3.190 1.390 1.390 assign (resid 2 and name HN) (resid 21 and name HN) 9.290 0.100 0.300 assign (resid 2 and name HN) (resid 21 and name HA) 7.030 0.100 0.300 assign (resid 2 and name HN) (resid 22 and name HN) 5.830 0.300 0.300 assign (resid 2 and name HN) (resid 22 and name HA) 7.220 0.100 0.300 assign (resid 2 and name HN) (resid 23 and name HN) 7.210 0.100 0.300 assign (resid 2 and name HN) (resid 23 and name HA) 5.240 0.100 0.600 assign (resid 2 and name HA#) (resid 21 and name HA) 7.830 0.900 0.100 assign (resid 2 and name HA#) (resid 22 and name HN) 6.960 0.900 0.100 assign (resid 2 and name HA#) (resid 22 and name HA) 8.940 0.800 0.100 assign (resid 2 and name HA#) (resid 23 and name HN) 9.310 0.900 0.250 assign (resid 2 and name HA#) (resid 23 and name HA) 7.600 0.500 0.100
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