Mercurial > repos > marcel > caddsuite_linux_x86_64
annotate CADDSuite-1.5/data/fragments/Names.CHARMM.db @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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1 <node>CHARMM<value>PDB</value> |
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2 <node>*:H1<value>*:1H</value></node> |
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5 <node>*:N<value>*:N</value></node> |
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12 <node>*:OCT1<value>*:O</value></node> |
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13 <node>*:OCT2<value>*:OXT</value></node> |
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14 <node>*:HT1<value>*:1H</value></node> |
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15 <node>*:HT2<value>*:2H</value></node> |
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17 <node>ALA:HB1<value>ALA:1HB</value></node> |
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18 <node>ALA:HB2<value>ALA:2HB</value></node> |
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19 <node>ALA:HB3<value>ALA:3HB</value></node> |
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20 <node>ARG:HB2<value>ARG:1HB</value></node> |
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22 <node>ARG:HG2<value>ARG:1HG</value></node> |
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23 <node>ARG:HG3<value>ARG:2HG</value></node> |
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24 <node>ARG:HD2<value>ARG:1HD</value></node> |
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25 <node>ARG:HD3<value>ARG:2HD</value></node> |
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26 <node>ARG:HH1<value>ARG:1HH1</value></node> |
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27 <node>ARG:HH2<value>ARG:1HH2</value></node> |
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28 <node>ARG:HH11<value>ARG:1HH1</value></node> |
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29 <node>ARG:HH12<value>ARG:2HH1</value></node> |
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30 <node>ARG:HH21<value>ARG:1HH2</value></node> |
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31 <node>ARG:HH22<value>ARG:2HH2</value></node> |
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32 <node>ASN:HB2<value>ASN:1HB</value></node> |
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33 <node>ASN:HB3<value>ASN:2HB</value></node> |
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34 <node>ASN:HD1<value>ASN:1HD1</value></node> |
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35 <node>ASN:HD2<value>ASN:1HD2</value></node> |
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36 <node>ASN:HD21<value>ASN:1HD2</value></node> |
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37 <node>ASN:HD22<value>ASN:2HD2</value></node> |
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38 <node>ASP:HB2<value>ASP:1HB</value></node> |
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39 <node>ASP:HB3<value>ASP:2HB</value></node> |
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40 <node>CYS:HB2<value>CYS:1HB</value></node> |
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41 <node>CYS:HB3<value>CYS:2HB</value></node> |
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42 <node>GLU:HB2<value>GLU:1HB</value></node> |
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43 <node>GLU:HB3<value>GLU:2HB</value></node> |
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44 <node>GLU:HG2<value>GLU:1HG</value></node> |
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45 <node>GLU:HG3<value>GLU:2HG</value></node> |
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46 <node>GLN:HB2<value>GLN:1HB</value></node> |
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47 <node>GLN:HB3<value>GLN:2HB</value></node> |
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48 <node>GLN:HG2<value>GLN:1HG</value></node> |
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49 <node>GLN:HG3<value>GLN:2HG</value></node> |
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50 <node>GLN:HE21<value>GLN:1HE2</value></node> |
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51 <node>GLN:HE22<value>GLN:2HE2</value></node> |
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52 <node>GLN:HE1<value>GLN:1HE1</value></node> |
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53 <node>GLN:HE2<value>GLN:1HE2</value></node> |
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54 <node>GLY:HA2<value>GLY:1HA</value></node> |
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55 <node>GLY:HA3<value>GLY:2HA</value></node> |
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56 <node>HIS:HB2<value>HIS:1HB</value></node> |
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57 <node>HIS:HB3<value>HIS:2HB</value></node> |
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58 <node>HIE:*<value>HIS:*</value></node> |
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221 <node>PHE:CD2<value>PHE:CD2</value></node> |
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222 <node>PHE:HD2<value>PHE:HD2</value></node> |
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223 <node>PRO:CA<value>PRO:CA</value></node> |
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224 <node>PRO:HA<value>PRO:HA</value></node> |
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225 <node>PRO:CD<value>PRO:CD</value></node> |
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226 <node>PRO:CG<value>PRO:CG</value></node> |
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227 <node>PRO:CB<value>PRO:CB</value></node> |
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228 <node>SER:CA<value>SER:CA</value></node> |
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229 <node>SER:HA<value>SER:HA</value></node> |
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230 <node>SER:CB<value>SER:CB</value></node> |
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231 <node>SER:OG<value>SER:OG</value></node> |
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232 <node>SER:HG<value>SER:HG</value></node> |
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233 <node>THR:CA<value>THR:CA</value></node> |
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234 <node>THR:HA<value>THR:HA</value></node> |
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235 <node>THR:CB<value>THR:CB</value></node> |
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236 <node>THR:HB<value>THR:HB</value></node> |
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237 <node>THR:CG2<value>THR:CG2</value></node> |
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238 <node>THR:OG1<value>THR:OG1</value></node> |
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239 <node>THR:HG1<value>THR:HG1</value></node> |
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240 <node>TRP:CA<value>TRP:CA</value></node> |
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241 <node>TRP:HA<value>TRP:HA</value></node> |
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242 <node>TRP:CB<value>TRP:CB</value></node> |
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243 <node>TRP:CG<value>TRP:CG</value></node> |
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244 <node>TRP:CD1<value>TRP:CD1</value></node> |
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245 <node>TRP:HD1<value>TRP:HD1</value></node> |
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246 <node>TRP:NE1<value>TRP:NE1</value></node> |
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247 <node>TRP:HE1<value>TRP:HE1</value></node> |
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248 <node>TRP:CE2<value>TRP:CE2</value></node> |
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249 <node>TRP:CZ2<value>TRP:CZ2</value></node> |
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250 <node>TRP:HZ2<value>TRP:HZ2</value></node> |
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251 <node>TRP:CH2<value>TRP:CH2</value></node> |
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252 <node>TRP:HH2<value>TRP:HH2</value></node> |
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253 <node>TRP:CZ3<value>TRP:CZ3</value></node> |
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254 <node>TRP:HZ3<value>TRP:HZ3</value></node> |
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255 <node>TRP:CE3<value>TRP:CE3</value></node> |
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256 <node>TRP:HE3<value>TRP:HE3</value></node> |
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257 <node>TRP:CD2<value>TRP:CD2</value></node> |
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258 <node>TYR:CA<value>TYR:CA</value></node> |
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259 <node>TYR:HA<value>TYR:HA</value></node> |
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260 <node>TYR:CB<value>TYR:CB</value></node> |
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261 <node>TYR:CG<value>TYR:CG</value></node> |
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262 <node>TYR:CD1<value>TYR:CD1</value></node> |
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263 <node>TYR:HD1<value>TYR:HD1</value></node> |
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264 <node>TYR:CE1<value>TYR:CE1</value></node> |
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265 <node>TYR:HE1<value>TYR:HE1</value></node> |
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266 <node>TYR:CZ<value>TYR:CZ</value></node> |
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267 <node>TYR:OH<value>TYR:OH</value></node> |
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268 <node>TYR:HH<value>TYR:HH</value></node> |
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269 <node>TYR:CE2<value>TYR:CE2</value></node> |
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270 <node>TYR:HE2<value>TYR:HE2</value></node> |
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271 <node>TYR:CD2<value>TYR:CD2</value></node> |
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272 <node>TYR:HD2<value>TYR:HD2</value></node> |
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273 <node>VAL:CA<value>VAL:CA</value></node> |
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274 <node>VAL:HA<value>VAL:HA</value></node> |
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275 <node>VAL:CB<value>VAL:CB</value></node> |
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276 <node>VAL:HB<value>VAL:HB</value></node> |
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277 <node>VAL:CG1<value>VAL:CG1</value></node> |
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278 <node>VAL:CG2<value>VAL:CG2</value></node> |
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279 </node> |