NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	570635	2m7d	19183	cing	1-original	1	XPLOR/CNS	distance	NOE	simple

! atom1 atom2 d d- d+ # ppm1 ppm2 intens. codes              
! Start Here                      
assign (resid 10 and name ha ) (resid 10 and name hb# ) 2.21 0.18 0.35 ! 175 4.3 1.26 536.149    
assign (resid 10 and name hb# ) (resid 10 and name hn ) 2.43 0.25 0.73 ! 179 1.26 7.36 361.419    
assign (resid 10 and name ha ) (resid 10 and name hn ) 3.12 0.47 0.38 ! 176 4.3 7.36 127.66    
assign (resid 10 and name hn ) (resid 11 and name hn ) 2.31 0.21 0.21 ! 184 7.36 8.33 449.621    
assign (resid 10 and name hb# ) (resid 11 and name hn ) 3.06 0.45 0.86 ! 180 1.26 8.33 138.028    
assign (resid 10 and name ha ) (resid 11 and name hn ) 3.34 0.54 0.44 ! 177 4.29 8.33 96.3689    
assign (resid 10 and name ha ) (resid 14 and name hn ) 3.6 0.37 0.5 ! 178 4.3 8 58.8042    
assign (resid 10 and name hb# ) (resid 14 and name hn ) 4.5 0.91 1.53 ! 181 1.26 8 27.8716 3meth loo  
assign (resid 10 and name hn ) (resid 9 and name hn ) 2.7 0.34 0.28 ! 183 7.36 7.88 232.495    
assign (resid 11 and name ha2 ) (resid 10 and name hn ) 3.95 0.73 0.69 ! 200 0.33 7.35 48.0635    
assign (resid 11 and name ha1 ) (resid 10 and name hn ) 4.14 0.79 0.79 ! 190 2.99 7.35 39.5409    
assign (resid 11 and name ha2 ) (resid 11 and name hn ) 2.49 0.27 0.24 ! 201 0.33 8.33 330.507    
assign (resid 11 and name ha1 ) (resid 11 and name hn ) 2.64 0.32 0.26 ! 192 3 8.33 258.233    
assign (resid 11 and name ha1 ) (resid 12 and name hn ) 2.6 0.38 0.31 ! 194 2.99 8.98 191.768    
assign (resid 11 and name ha2 ) (resid 12 and name hn ) 3.12 0.47 0.38 ! 202 0.33 8.98 127.792    
assign (resid 11 and name ha1 ) (resid 12 and name hd1 ) 4.36 0.86 0.93 ! 193 2.99 7.62 31.7568    
assign (resid 11 and name ha1 ) (resid 13 and name hn ) 3.99 0.75 0.71 ! 195 2.99 7.78 45.9752    
assign (resid 11 and name ha2 ) (resid 6 and name hz2 ) 3.59 0.71 0.66 ! 198 0.33 5.76 51.1928 VW3   
assign (resid 11 and name ha2 ) (resid 6 and name he3 ) 3.95 0.74 0.69 ! 196 0.33 6.82 47.7353    
assign (resid 11 and name ha2 ) (resid 6 and name hh2 ) 3.78 0.74 0.71 ! 197 0.34 6.14 46.4667 VW2   
assign (resid 11 and name ha1 ) (resid 6 and name hh2 ) 4.08 0.84 0.88 ! 187 2.99 6.14 34.4783 VW2   
assign (resid 11 and name ha2 ) (resid 6 and name hz3 ) 4.36 0.87 0.94 ! 199 0.33 6.85 31.6832    
assign (resid 11 and name ha1 ) (resid 7 and name hd2# ) 3.67 0.65 1.5 ! 189 3 0.85 64.9705    
assign (resid 12 and name ha ) (resid 11 and name ha2 ) 4.41 0.88 0.97 ! 206 4.59 0.33 30.1873    
assign (resid 12 and name hb2 ) (resid 12 and name hd1 ) 2.36 0.23 0.82 ! 216 3.18 7.62 412.628 V1 LOOSENED  
assign (resid 12 and name ha ) (resid 12 and name he3 ) 2.62 0.31 0.76 ! 207 4.59 7.92 265.291    
assign (resid 12 and name hb1 ) (resid 12 and name he3 ) 2.76 0.36 0.29 ! 218 3.54 7.92 214.075    
assign (resid 12 and name hb2 ) (resid 12 and name hn ) 2.5 0.44 0.35 ! 220 3.18 8.98 146.493    
assign (resid 12 and name ha ) (resid 12 and name hn ) 2.92 0.54 0.44 ! 208 4.59 8.98 98.6412    
assign (resid 12 and name hd1 ) (resid 12 and name hn ) 3.6 0.62 0.54 ! 226 7.62 8.98 70.2569    
assign (resid 12 and name hb2 ) (resid 13 and name hn ) 3.51 0.6 0.8 ! 222 3.18 7.78 78.2858 2   
assign (resid 12 and name ha ) (resid 13 and name hn ) 3.56 0.61 0.52 ! 209 4.59 7.78 74.0558    
assign (resid 12 and name ha ) (resid 14 and name hn ) 3.63 0.63 0.55 ! 210 4.59 8 68.466    
assign (resid 12 and name ha ) (resid 15 and name hn ) 3.92 0.72 0.68 ! 211 4.6 7.43 49.566    
assign (resid 12 and name ha ) (resid 6 and name hz2 ) 2.36 0.33 0.67 ! 205 4.59 5.76 248.498 VW3   
assign (resid 12 and name hb2 ) (resid 6 and name hz2 ) 4 0.5 0.9 ! 213 3.19 5.77 112.933 VW3 ol loos 
assign (resid 12 and name he1 ) (resid 6 and name hh2 ) 3 0.51 0.65 ! 227 10.51 6.14 52.6075 VW2   
assign (resid 12 and name he1 ) (resid 6 and name hz2 ) 3.56 0.71 0.65 ! est from 280 close H2O   
assign (resid 12 and name ha ) (resid 6 and name he1 ) 3.5 0.38 0.77 ! 203 4.6 9.57 40.7855allowcloserex    
assign (resid 12 and name ha ) (resid 12 and name hb2 ) 3.1 0.1 0.1 ! anti by shape     
assign (resid 12 and name ha ) (resid 12 and name hb1 ) 2.5 0.2 0.2 ! gauche by shape     
assign (resid 12 and name ha ) (resid 6 and name hh2 ) 3.95 0.8 0.8 ! 204 4.59 6.14 39.1747 VW2   
assign (resid 13 and name hn ) (resid 12 and name hn ) 2.7 0.27 0.25 ! 242 7.78 8.98 85.6874    
assign (resid 13 and name hb# ) (resid 13 and name hn ) 2.16 0.16 0.91 ! 239 1.48 7.78 594.1 3m loosened  
assign (resid 13 and name ha ) (resid 13 and name hb# ) 2.23 0.19 0.2 ! 235 4.34 1.47 520.503    
assign (resid 13 and name ha ) (resid 13 and name hn ) 2.69 0.33 0.27 ! 236 4.34 7.78 239.22    
assign (resid 13 and name hn ) (resid 14 and name hn ) 2.55 0.49 0.25 ! 243 7.78 8 298.377    
assign (resid 13 and name hb# ) (resid 14 and name hn ) 3.33 0.54 1.5 ! 240 1.47 8 97.4114    
assign (resid 13 and name ha ) (resid 14 and name hn ) 3.37 0.55 0.45 ! 237 4.34 8 93.4591    
assign (resid 13 and name ha ) (resid 15 and name hn ) 3.38 0.55 0.46 ! 238 4.34 7.43 91.4799    
assign (resid 14 and name ha ) (resid 14 and name hb2 ) 2.59 0.3 0.26 ! 245 4.09 3.45 277.401    
assign (resid 14 and name ha ) (resid 14 and name hb1 ) 2.67 0.33 0.27 ! 246 4.09 3.87 245.297    
assign (resid 14 and name ha ) (resid 14 and name hn ) 2.73 0.35 0.28 ! 248 4.09 8 224.67    
assign (resid 14 and name hb1 ) (resid 14 and name hn ) 3.09 0.46 0.37 ! 260 3.86 8 132.701    
assign (resid 14 and name hg ) (resid 11 and name hn ) 3.09 0.46 0.37 ! est from 280     
assign (resid 14 and name ha ) (resid 14 and name hg ) 4.01 0.75 0.72 ! 247 4.08 4.29 45.1815    
assign (resid 14 and name hg ) (resid 14 and name hb2 ) 2.75 0.35 0.42 ! est from 280     
assign (resid 14 and name hb1 ) (resid 14 and name hg ) 2.3 0.26 0.32 ! est from 280     
assign (resid 14 and name ha ) (resid 15 and name hn ) 3.35 0.55 0.45 ! 249 4.09 7.43 94.9119    
assign (resid 14 and name hb1 ) (resid 15 and name hn ) 4.12 0.79 0.78 ! 261 3.87 7.43 40.1566    
assign (resid 14 and name hb2 ) (resid 15 and name hn ) 4.22 0.82 0.84 ! 255 3.46 7.43 36.5702    
assign (resid 14 and name ha ) (resid 16 and name hn ) 3.52 0.32 0.73 ! 250 4.08 8.1 72.3826 ol 4a 8n loose
assign (resid 14 and name hb1 ) (resid 16 and name hn ) 4.25 0.83 0.86 ! 262 3.87 8.1 35.3184    
assign (resid 14 and name hb1 ) (resid 9 and name hb1 ) 3.47 0.58 0.49 ! 256 3.87 2.81 82.3895    
assign (resid 14 and name hb2 ) (resid 9 and name hb1 ) 3.66 0.64 0.56 ! 251 3.45 2.81 66.2216    
assign (resid 15 and name hb# ) (resid 12 and name he3 ) 3.41 0.56 0.46 ! 268 1.61 7.92 88.9789    
assign (resid 15 and name ha ) (resid 12 and name he3 ) 4.37 0.87 0.94 ! 265 4.5 7.91 31.4629    
assign (resid 15 and name hn ) (resid 14 and name hn ) 2.58 0.3 0.25 ! 272 7.43 8 281.921    
assign (resid 15 and name hb# ) (resid 15 and name hn ) 2.22 0.19 0.7 ! 270 1.61 7.43 524.418    
assign (resid 15 and name ha ) (resid 15 and name hb# ) 2.24 0.19 0.2 ! 266 4.5 1.61 514.201    
assign (resid 15 and name hb# ) (resid 16 and name hn ) 3.03 0.44 1.25 ! 271 1.61 8.09 144.27 loos ol and 3
assign (resid 15 and name ha ) (resid 16 and name hn ) 3.43 0.57 0.47 ! 267 4.5 8.1 86.4978    
assign (resid 16 and name hn ) (resid 15 and name hn ) 2.45 0.26 0.23 ! 302 8.09 7.43 348.191    
assign (resid 16 and name hg2 ) (resid 15 and name hn ) 3.8 0.59 0.49 ! 297 1.54 7.43 81.1182    
assign (resid 16 and name hb1 ) (resid 16 and name hn ) 2.63 0.35 0.33 ! 280 1.84 8.1 366.729 ol   
assign (resid 16 and name hg2 ) (resid 16 and name hn ) 2.7 0.45 0.63 ! 299 1.83 8.1 366.729 16SC   
assign (resid 16 and name ha ) (resid 16 and name hb1 ) 3 0.15 0.25 ! 274 5.03 1.84 244.813    
assign (resid 16 and name ha ) (resid 16 and name hb2 ) 2.4 0.1 0.25 ! 274 5.03 1.84 244.813    
assign (resid 16 and name hd2 ) (resid 16 and name hg1 ) 2.66 0.36 0.29 ! 290 3.26 1.84 212.388 V   
assign (resid 16 and name hd1 ) (resid 16 and name hg2 ) 2.49 0.27 0.6 ! 286 3.17 1.55 202.941 V   
assign (resid 16 and name hd1 ) (resid 16 and name hb1 ) 2.68 0.39 0.32 ! 284 3.18 1.74 179.838    
assign (resid 16 and name ha ) (resid 16 and name hn ) 2.95 0.42 0.33 ! 275 5.03 8.1 161.727    
assign (resid 16 and name hd2 ) (resid 16 and name hb2 ) 2.9 0.31 0.55 ! 288 3.26 1.74 52.2652    
assign (resid 16 and name ha ) (resid 17 and name hd1 ) 2.3 0.31 0.21 ! 276 5.03 3.82 456.798    
assign (resid 16 and name ha ) (resid 17 and name hd2 ) 2.79 0.27 0.24 ! 277 5.03 3.62 328.056    
assign (resid 16 and name hb2 ) (resid 17 and name hd2 ) 2.95 0.38 0.31 ! 282 1.84 3.62 187.622    
assign (resid 16 and name hg1 ) (resid 17 and name hd2 ) 3.6 0.39 0.31 ! 300 1.84 3.62 183.696 ol   
assign (resid 16 and name hg1 ) (resid 6 and name hd1 ) 2.63 0.25 0.33 ! 292 1.55 6.77 364.703    
assign (resid 16 and name hg1 ) (resid 6 and name he1 ) 3.15 0.38 0.48 ! 295 1.84 9.57 84.2633    
assign (resid 16 and name hd1 ) (resid 6 and name hd1 ) 3.46 0.58 0.48 ! 283 3.15 6.77 83.6524    
assign (resid 16 and name hd2 ) (resid 6 and name hd1 ) 4.23 0.82 0.85 ! 287 3.27 6.76 35.95    
assign (resid 17 and name hb1 ) (resid 12 and name hh2 ) 2.1 0.54 0.44 ! 313 2.35 7.34 96.373 largest   
assign (resid 17 and name hb1 ) (resid 12 and name hz2 ) 3.43 0.57 0.47 ! 314 2.35 7.62 85.9007    
assign (resid 17 and name ha ) (resid 12 and name hz3 ) 3.52 0.6 0.5 ! 307 4.02 7.21 77.7585    
assign (resid 17 and name ha ) (resid 12 and name he3 ) 3.77 0.68 0.61 ! 305 4.02 7.92 58.1031    
assign (resid 17 and name hb1 ) (resid 12 and name hz3 ) 3.77 0.68 0.61 ! 315 2.35 7.21 58.3434    
assign (resid 17 and name hb2 ) (resid 12 and name hh2 ) 4.19 0.81 0.83 ! 319 1.74 7.34 37.4066    
assign (resid 17 and name hb2 ) (resid 12 and name hz3 ) 4.24 0.83 0.85 ! 320 1.75 7.21 35.7523    
assign (resid 17 and name ha ) (resid 12 and name hz2 ) 4.33 0.86 0.91 ! 306 4.01 7.62 32.6016    
assign (resid 17 and name hd1 ) (resid 16 and name hn ) 4.05 0.77 0.75 ! 322 3.82 8.1 43.0656    
assign (resid 17 and name hd2 ) (resid 16 and name hn ) 4.42 0.88 0.97 ! 328 3.62 8.09 30.158    
assign (resid 17 and name ha ) (resid 17 and name hb1 ) 2.3 0.37 0.3 ! 308 4.02 2.37 198.565    
assign (resid 17 and name hd2 ) (resid 17 and name hg2 ) 2.4 0.43 0.34 ! 331 3.62 1.93 153.894 V   
assign (resid 17 and name hd1 ) (resid 17 and name hg1 ) 2.45 0.44 0.35 ! 326 3.82 2.07 149.117 V   
assign (resid 17 and name ha ) (resid 17 and name hb2 ) 3.08 0.46 0.37 ! 309 4.01 1.75 134.701    
assign (resid 17 and name hb1 ) (resid 17 and name hg2 ) 3.18 0.49 0.39 ! 317 2.35 2.06 119.034 V   
assign (resid 17 and name hd2 ) (resid 17 and name hb2 ) 3.72 0.5 0.41 ! 330 3.62 1.75 112.109    
assign (resid 17 and name hd1 ) (resid 17 and name hb2 ) 4 0.53 0.43 ! 324 3.82 1.74 99.7562    
assign (resid 17 and name ha ) (resid 17 and name hg2 ) 4.05 0.77 0.74 ! 310 4.02 2.06 43.332    
assign (resid 17 and name hd2 ) (resid 17 and name hb1 ) 4.19 0.81 0.82 ! 329 3.61 2.36 37.4633    
assign (resid 17 and name hd1 ) (resid 17 and name hb1 ) 4.26 0.83 0.86 ! 323 3.82 2.37 35.1758    
assign (resid 17 and name ha ) (resid 18 and name hd1 ) 2.46 0.26 0.23 ! 312 4.02 2.34 344.934    
assign (resid 17 and name ha ) (resid 6 and name hz2 ) 3.39 0.65 0.57 ! 304 4.02 5.76 64.0183 VW3   
assign (resid 17 and name ha ) (resid 6 and name he1 ) 3.36 0.34 0.6 ! 303 4.02 9.57 47.2946 VSA   
assign (resid 18 and name hg1 ) (resid 12 and name hz2 ) 3.96 0.74 0.7 ! 373 1.22 7.62 47.3462    
assign (resid 18 and name ha ) (resid 18 and name hb2 ) 2.97 0.42 0.34 ! 341 2.06 1.1 158.041    
assign (resid 18 and name hd1 ) (resid 18 and name hg1 ) 2.34 0.34 0.35 ! 367 2.34 1.22 146.297 V   
assign (resid 18 and name ha ) (resid 18 and name hb1 ) 2.3 0.45 0.36 ! 340 2.06 -0.36 141.992    
assign (resid 18 and name hg1 ) (resid 18 and name hb2 ) 3.01 0.37 0.37 ! 376 1.22 1.1 129.176 V   
assign (resid 18 and name hg1 ) (resid 18 and name hb1 ) 2.32 0.37 0.48 ! 375 1.23 -0.36 84.7001 V   
assign (resid 18 and name ha ) (resid 18 and name hd2 ) 3.88 0.71 0.66 ! 342 2.06 3.18 51.4227    
assign (resid 18 and name hd2 ) (resid 18 and name hb2 ) 3.95 0.74 0.69 ! 363 3.18 1.09 47.8021    
assign (resid 18 and name hd1 ) (resid 18 and name hb1 ) 3.4 0.57 0.64 ! 362 2.34 -0.34 31.4351    
assign (resid 18 and name ha ) (resid 18 and name hg1 ) 4.55 0.92 1.07 ! 343 2.06 1.23 26.6875    
assign (resid 18 and name hb2 ) (resid 3 and name he1 ) 3.24 0.51 0.41 ! 353 1.1 6.77 109.379    
assign (resid 18 and name hb1 ) (resid 3 and name he1 ) 3.3 0.53 0.43 ! 347 -0.35 6.77 101.792    
assign (resid 18 and name hb2 ) (resid 3 and name hd1 ) 3.62 0.63 0.54 ! 352 1.1 7.04 68.7453    
assign (resid 18 and name hb1 ) (resid 3 and name hd1 ) 3.95 0.74 0.69 ! 346 -0.35 7.04 47.7572    
assign (resid 18 and name hg1 ) (resid 3 and name he1 ) 4.2 0.81 0.83 ! 369 1.22 6.77 36.9805    
assign (resid 18 and name hd1 ) (resid 6 and name hz2 ) 2.49 0.37 0.3 ! 360 2.34 5.76 204.81 VW3   
assign (resid 18 and name ha ) (resid 6 and name hd1 ) 3.23 0.47 0.78 ! 336 2.06 6.77 126.413 ol 17g  
assign (resid 18 and name ha ) (resid 6 and name he1 ) 3.74 0.67 0.59 ! 337 2.06 9.57 60.2866    
assign (resid 18 and name hd1 ) (resid 6 and name hh2 ) 3.83 0.76 0.73 ! 359 2.34 6.14 44.2299 VW2   
assign (resid 18 and name hg1 ) (resid 6 and name hh2 ) 3.89 0.78 0.76 ! 370 1.23 6.14 41.6353 VW2   
assign (resid 18 and name hb1 ) (resid 6 and name hh2 ) 3.93 0.79 0.79 ! 349 -0.35 6.13 39.7013 VW2   
assign (resid 18 and name hb1 ) (resid 6 and name hz3 ) 4.13 0.79 0.79 ! 351 -0.35 6.86 39.9061    
assign (resid 18 and name hd1 ) (resid 6 and name he1 ) 4.23 0.32 0.45 ! 357 2.35 9.57 36.0187 VSA   
assign (resid 18 and name hb1 ) (resid 6 and name hz2 ) 3.99 0.84 0.88 ! 350 -0.35 5.76 34.0896 VW3   
assign (resid 18 and name hb1 ) (resid 6 and name he3 ) 4.37 0.87 0.94 ! 348 -0.35 6.82 31.5561    
assign (resid 18 and name ha ) (resid 6 and name he3 ) 4.42 0.88 0.97 ! 338 2.06 6.82 30.1096    
assign (resid 19 and name hd1 ) (resid 18 and name ha ) 2.18 0.24 0.22 ! 391 3.08 2.06 398.777    
assign (resid 19 and name hd2 ) (resid 18 and name ha ) 2.5 0.27 0.24 ! 400 2.85 2.06 323.2    
assign (resid 19 and name hd2 ) (resid 18 and name hb2 ) 3.39 0.56 0.46 ! 402 2.85 1.09 91.226    
assign (resid 19 and name hd1 ) (resid 18 and name hb2 ) 3.73 0.66 0.59 ! 393 3.08 1.09 60.9925    
assign (resid 19 and name hd2 ) (resid 18 and name hb1 ) 3.94 0.73 0.69 ! 401 2.85 -0.35 48.5186    
assign (resid 19 and name hd1 ) (resid 18 and name hb1 ) 4.09 0.78 0.77 ! 392 3.09 -0.36 41.3155    
assign (resid 19 and name ha ) (resid 19 and name hb2 ) 2.93 0.41 0.33 ! 380 4.28 2.15 166.845    
assign (resid 19 and name ha ) (resid 19 and name hb1 ) 2.4 0.49 0.4 ! 379 4.28 1.95 117.475    
assign (resid 19 and name hb1 ) (resid 19 and name hg1 ) 2.3 0.27 0.47 ! 384 1.96 1.78 87.6379 V   
assign (resid 19 and name hd2 ) (resid 19 and name hg2 ) 2.3 0.27 0.47 ! 405 2.85 1.73 86.4533 V   
assign (resid 19 and name hb2 ) (resid 19 and name hg2 ) 2.31 0.29 0.42 ! 389 2.14 1.73 55.7792 V   
assign (resid 19 and name hd2 ) (resid 19 and name hb1 ) 4.35 0.86 0.93 ! 403 2.85 1.96 31.9993    
assign (resid 19 and name hd1 ) (resid 19 and name hb2 ) 4.46 0.9 1.01 ! 394 3.08 2.15 28.8277    
assign (resid 19 and name ha ) (resid 20 and name hn ) 2.21 0.18 0.19 ! 381 4.28 7.81 534.621    
assign (resid 19 and name hb1 ) (resid 20 and name hn ) 3.54 0.61 0.51 ! 385 1.96 7.81 75.5159    
assign (resid 19 and name hb2 ) (resid 20 and name hn ) 3.71 0.66 0.58 ! 390 2.14 7.81 62.4326    
assign (resid 19 and name hb1 ) (resid 2 and name hb# ) 3.82 0.69 0.63 ! 382 1.96 1.49 54.9649    
assign (resid 19 and name hb2 ) (resid 2 and name hb# ) 3.85 0.7 0.64 ! 386 2.15 1.49 53.4807    
assign (resid 19 and name hd2 ) (resid 3 and name hd1 ) 2.98 0.43 0.34 ! 398 2.85 7.04 155.226    
assign (resid 19 and name hd2 ) (resid 3 and name he1 ) 3.18 0.49 0.39 ! 399 2.84 6.77 118.627    
assign (resid 19 and name hg2 ) (resid 3 and name hd1 ) 3.51 0.6 0.5 ! 407 1.79 7.04 78.4037    
assign (resid 19 and name hb1 ) (resid 3 and name hd1 ) 3.7 0.57 0.94 ! 383 1.96 7.04 31.4809    
assign (resid 1 and name ha ) (resid 1 and name hb2 ) 2.8 0.72 0.66 ! 0 4.21 3.11 50.7557 larger at 280 
assign (resid 1 and name hb1 ) (resid 1 and name ha ) 3 0.85 0.89 ! 1 2.95 4.22 33.6055 larger at 280 
assign (resid 20 and name ha ) (resid 20 and name hb2 ) 2.5 0.37 0.37 ! 408 4.15 3.76 130.232    
assign (resid 20 and name ha ) (resid 20 and name hn ) 3.29 0.52 0.43 ! 409 4.14 7.81 102.993    
assign (resid 20 and name hb# ) (resid 20 and name hn ) 3.36 0.55 0.45 ! 410 3.77 7.81 94.2579    
assign (resid 2 and name ha ) (resid 2 and name hb# ) 2.5 0.27 0.24 ! 4 4.25 1.49 323.869    
assign (resid 2 and name ha ) (resid 5 and name hb1 ) 3 0.59 0.5 ! 6 4.25 2.12 79.5342    
assign (resid 2 and name ha ) (resid 5 and name hn ) 3.52 0.6 0.5 ! 8 4.24 8.04 77.5169    
assign (resid 2 and name hb# ) (resid 5 and name hn ) 3.8 0.69 1.5 ! 9 1.47 8.04 56.4219    
assign (resid 2 and name ha ) (resid 5 and name hg1 ) 4.09 0.78 0.76 ! 7 4.24 2.4 41.687    
assign (resid 3 and name ha ) (resid 19 and name hd2 ) 3.06 0.58 0.48 ! 20 3.97 2.85 83.6746    
assign (resid 3 and name ha ) (resid 19 and name hg2 ) 2.7 0.51 0.52 ! 22 3.97 1.73 72.9065    
assign (resid 3 and name hb2 ) (resid 3 and name hd1 ) 2.41 0.21 0.51 ! 26 3.08 7.04 448.465    
assign (resid 3 and name hb1 ) (resid 3 and name hd2 ) 2.47 0.26 0.53 ! 23 3.14 7.04 341.742    
assign (resid 3 and name ha ) (resid 3 and name hb2 ) 2.63 0.32 0.26 ! 11 3.97 3.08 259.905    
assign (resid 3 and name ha ) (resid 3 and name hd1 ) 3.2 0.34 0.48 ! 12 3.97 7.04 230.615    
assign (resid 3 and name ha ) (resid 3 and name hb1 ) 3.09 0.46 0.37 ! 10 3.97 3.13 133.541    
assign (resid 3 and name hb2 ) (resid 3 and name hn ) 2.9 0.57 0.47 ! 27 3.08 8.75 87.1339 VEX   
assign (resid 3 and name hb1 ) (resid 3 and name hn ) 3.58 0.71 0.66 ! 24 3.13 8.75 51.6876 VEX   
assign (resid 3 and name ha ) (resid 3 and name hn ) 2.9 0.9 1 ! 13 3.97 8.75 28.8799 VEX   
assign (resid 3 and name hb1 ) (resid 4 and name hn ) 3.01 0.64 0.35 ! 25 3.13 8.29 149.458    
assign (resid 3 and name hb2 ) (resid 4 and name hn ) 3.16 0.48 0.39 ! 28 3.08 8.28 121.15    
assign (resid 3 and name ha ) (resid 4 and name hn ) 3.56 0.61 0.52 ! 14 3.96 8.28 74.1733    
assign (resid 3 and name ha ) (resid 6 and name hb1 ) 3.47 0.58 0.49 ! 15 3.97 3.44 82.3667    
assign (resid 3 and name ha ) (resid 6 and name hb2 ) 3.6 0.62 0.53 ! 16 3.97 3.04 70.9736    
assign (resid 3 and name ha ) (resid 6 and name he3 ) 3.73 0.67 0.59 ! 18 3.97 6.82 60.6721    
assign (resid 3 and name ha ) (resid 7 and name hn ) 3.66 0.64 0.56 ! 19 3.96 8.35 66.2556    
assign (resid 4 and name ha ) (resid 3 and name hd2 ) 3.52 0.6 0.5 ! 30 4.08 7.04 77.6356    
assign (resid 4 and name hn ) (resid 3 and name hd2 ) 3.57 0.61 0.52 ! 42 8.29 7.04 73.423    
assign (resid 4 and name hn ) (resid 3 and name hn ) 3.42 0.66 0.59 ! 43 8.29 8.75 61.2815 VEX   
assign (resid 4 and name ha ) (resid 4 and name hb# ) 2.35 0.23 0.22 ! 31 4.08 1.57 414.118    
assign (resid 4 and name hb# ) (resid 4 and name hn ) 2.44 0.25 0.23 ! 39 1.57 8.29 359.164    
assign (resid 4 and name ha ) (resid 4 and name hn ) 2.8 0.37 0.3 ! 32 4.07 8.29 201.05    
assign (resid 4 and name hb# ) (resid 5 and name hn ) 2.96 0.42 0.34 ! 40 1.57 8.04 159.173    
assign (resid 4 and name hn ) (resid 5 and name hn ) 2.97 0.42 0.34 ! 44 8.29 8.04 157.664    
assign (resid 4 and name ha ) (resid 5 and name hn ) 3.91 0.72 0.67 ! 33 4.08 8.04 50.0699    
assign (resid 4 and name ha ) (resid 7 and name hd1# ) 2.84 0.38 0.61 ! 36 4.08 0.95 189.256 V2   
assign (resid 4 and name ha ) (resid 7 and name hn ) 3.2 0.5 0.4 ! 37 4.08 8.35 115.353    
assign (resid 4 and name ha ) (resid 7 and name hb2 ) 3.28 0.52 0.42 ! 35 4.08 1.83 103.645    
assign (resid 4 and name ha ) (resid 7 and name hb1 ) 3.62 0.63 0.94 ! 34 4.08 1.34 68.9264 2 loosen  
assign (resid 5 and name ha ) (resid 4 and name hb# ) 4.05 0.77 0.74 ! 45 3.96 1.57 43.1442    
assign (resid 5 and name hg1 ) (resid 5 and name hb1 ) 2.54 0.29 0.25 ! 61 2.4 2.19 300.259 V   
assign (resid 5 and name hb* ) (resid 5 and name hn ) 2.69 0.34 0.27 ! 57 2.13 8.04 237.928    
assign (resid 5 and name ha ) (resid 5 and name hn ) 2.76 0.36 0.29 ! 50 3.96 8.04 212.611    
assign (resid 5 and name hg# ) (resid 5 and name he22 ) 2.82 0.38 0.9 ! 64 2.4 7.8 196.168 V2loosen g's coin 
assign (resid 5 and name ha ) (resid 5 and name hg1 ) 2.83 0.38 0.3 ! 49 3.95 2.4 191.857    
assign (resid 5 and name ha ) (resid 5 and name hb2 ) 2.6 0.35 0.36 ! 46 3.96 2.19 142.065    
assign (resid 5 and name hg1 ) (resid 5 and name hn ) 3.53 0.48 0.78 ! 65 2.4 8.04 125.963 part2 loosen  
assign (resid 5 and name hg2 ) (resid 5 and name he21 ) 2.75 0.51 0.71 ! 63 2.4 6.94 108.468 V2   
assign (resid 5 and name ha ) (resid 5 and name he22 ) 4.16 0.8 0.8 ! 48 3.96 7.8 38.7675    
assign (resid 5 and name ha ) (resid 6 and name hn ) 3.56 0.25 0.36 ! 51 3.96 7.99 138.146    
assign (resid 5 and name hb1 ) (resid 6 and name hn ) 2.6 0.31 0.41 ! 58 2.12 7.99 109.832    
assign (resid 5 and name hg# ) (resid 6 and name hn ) 4.11 0.78 0.77 ! 66 2.4 7.99 40.8478    
assign (resid 5 and name ha ) (resid 8 and name hb ) 2.52 0.28 0.24 ! 52 3.95 1.47 313.654    
assign (resid 5 and name ha ) (resid 8 and name hn ) 3.21 0.5 0.4 ! 53 3.96 8.1 113.51    
assign (resid 5 and name ha ) (resid 9 and name hn ) 4.18 0.81 0.82 ! 54 3.95 7.88 37.9142    
assign (resid 6 and name hh2 ) (resid 12 and name hz2 ) 2.65 0.39 0.71 ! 93 6.14 7.62 186.312 VW2? 12z2  
assign (resid 6 and name hz2 ) (resid 12 and name hz2 ) 3.8 0.42 0.93 ! 100 5.76 7.62 70.6782 second?   
assign (resid 6 and name hz2 ) (resid 12 and name he3 ) 3.54 0.7 0.64 ! 99 5.76 7.92 54.0308 VW3   
assign (resid 6 and name hh2 ) (resid 12 and name hn ) 4.05 0.83 0.86 ! 95 6.15 8.98 35.2446 VW2   
assign (resid 6 and name he1 ) (resid 16 and name hn ) 3.64 0.64 0.55 ! 89 9.57 8.1 67.411    
assign (resid 6 and name hd1 ) (resid 16 and name hn ) 4.44 0.89 0.99 ! 87 6.77 8.1 29.4607    
assign (resid 6 and name hb1 ) (resid 6 and name hn ) 2.47 0.26 0.23 ! 79 3.44 7.99 341.511    
assign (resid 6 and name hb2 ) (resid 6 and name hn ) 2.59 0.3 0.26 ! 84 3.04 7.99 278.282    
assign (resid 6 and name hb1 ) (resid 6 and name he3 ) 2.68 0.33 0.27 ! 78 3.44 6.82 240.412    
assign (resid 6 and name hb2 ) (resid 6 and name hd1 ) 2.68 0.33 0.27 ! 82 3.03 6.77 243.026    
assign (resid 6 and name ha ) (resid 6 and name hd1 ) 2.75 0.35 0.29 ! 69 4.11 6.76 217.126    
assign (resid 6 and name ha ) (resid 6 and name hn ) 2.89 0.4 0.32 ! 71 4.11 7.99 176.628    
assign (resid 6 and name hb1 ) (resid 6 and name hd1 ) 3 0.43 0.85 ! 77 3.44 6.76 150.128    
assign (resid 6 and name ha ) (resid 6 and name hb2 ) 2.5 0.1 0.1 ! gauche by shape     
assign (resid 6 and name ha ) (resid 6 and name hb1 ) 3.1 0.2 0.2 ! anti by shape     
assign (resid 6 and name hb2 ) (resid 6 and name he3 ) 3.11 0.47 0.87 ! 83 3.04 6.82 130.525    
assign (resid 6 and name ha ) (resid 6 and name he3 ) 4.3 0.85 0.9 ! 70 4.09 6.82 33.5098    
assign (resid 6 and name hn ) (resid 7 and name hn ) 2.68 0.33 0.27 ! 96 7.99 8.35 240.136    
assign (resid 6 and name hb1 ) (resid 7 and name hn ) 2.86 0.39 0.31 ! 81 3.44 8.35 185.387    
assign (resid 6 and name hb2 ) (resid 7 and name hn ) 3.3 0.53 0.43 ! 85 3.04 8.35 101.829    
assign (resid 6 and name ha ) (resid 9 and name hb2 ) 3.1 0.48 0.35 ! 73 4.11 2.69 124.057    
assign (resid 6 and name ha ) (resid 9 and name hb1 ) 3.5 0.33 0.43 ! 72 4.1 2.83 102.76    
assign (resid 6 and name ha ) (resid 9 and name hn ) 3.48 0.59 0.49 ! 74 4.11 7.88 80.8323    
assign (resid 7 and name ha ) (resid 10 and name hn ) 3.67 0.65 0.56 ! 111 3.28 7.35 64.8674    
assign (resid 7 and name ha ) (resid 11 and name hn ) 2.9 0.4 0.32 ! 114 3.28 8.32 174.532    
assign (resid 7 and name ha ) (resid 11 and name ha2 ) 3.02 0.66 0.28 ! 113 3.28 0.33 61.6    
assign (resid 7 and name ha ) (resid 11 and name ha1 ) 3.89 0.72 0.66 ! 112 3.28 2.99 51.064    
assign (resid 7 and name hd2# ) (resid 11 and name ha2 ) 4 0.95 1.2 ! 139 0.85 0.34 29.4252 V2   
assign (resid 7 and name hd1# ) (resid 3 and name he2 ) 2.95 0.42 1.2 ! 127 0.95 6.77 162.469 V2   
assign (resid 7 and name hd2# ) (resid 3 and name he2 ) 3.06 0.45 1.2 ! 133 0.85 6.77 138.95 V2   
assign (resid 7 and name hd1# ) (resid 3 and name hd2 ) 3.14 0.48 1.2 ! 126 0.95 7.04 125.273 V2   
assign (resid 7 and name hd2# ) (resid 3 and name hd2 ) 4.03 0.76 1.2 ! 132 0.86 7.04 44.2355 V2   
assign (resid 7 and name hg ) (resid 6 and name he3 ) 2.17 0.33 0.37 ! 140 1.57 6.82 246.457    
assign (resid 7 and name hd2# ) (resid 6 and name he3 ) 2.7 0.34 0.98 ! 134 0.85 6.82 233.609 V2   
assign (resid 7 and name hd2# ) (resid 6 and name hz3 ) 2.72 0.34 0.58 ! 136 0.85 6.86 227.171 V2   
assign (resid 7 and name hn ) (resid 6 and name he3 ) 3 0.43 0.35 ! 148 8.35 6.82 150.45    
assign (resid 7 and name ha ) (resid 6 and name he3 ) 3.4 0.56 0.46 ! 103 3.28 6.82 89.5391    
assign (resid 7 and name hd1# ) (resid 6 and name he3 ) 3 0.49 1.2 ! 128 0.95 6.82 81.0352 V2   
assign (resid 7 and name hg ) (resid 6 and name hz3 ) 3.66 0.64 0.56 ! 141 1.57 6.86 65.6356    
assign (resid 7 and name hb2 ) (resid 6 and name he3 ) 3.78 0.68 0.61 ! 121 1.82 6.82 57.5018    
assign (resid 7 and name hd2# ) (resid 6 and name hh2 ) 3.63 0.7 0.93 ! 135 0.85 6.14 54.6012    
assign (resid 7 and name hd1# ) (resid 6 and name hz3 ) 4.19 0.81 1.12 ! 129 0.95 6.85 37.5843    
assign (resid 7 and name hb1 ) (resid 6 and name he3 ) 4.41 0.88 0.97 ! 115 1.34 6.82 30.4051    
assign (resid 7 and name hg ) (resid 7 and name hd1# ) 2.6 0.35 0.54 ! 144 1.57 0.95 406.641 V   
assign (resid 7 and name hg ) (resid 7 and name hd2# ) 2.8 0.45 0.64 ! 146 1.57 0.85 322.727 V V2  
assign (resid 7 and name hg ) (resid 7 and name hn ) 2.5 0.27 0.24 ! 147 1.57 8.35 322.954    
assign (resid 7 and name hb2 ) (resid 7 and name hn ) 2.63 0.32 0.26 ! 125 1.82 8.35 262.136    
assign (resid 7 and name hb2 ) (resid 7 and name hd1# ) 2.66 0.32 0.57 ! 123 1.82 0.95 250.71 V2   
assign (resid 7 and name hb1 ) (resid 7 and name hd1# ) 2.68 0.33 0.57 ! 116 1.34 0.95 242.375 V2   
assign (resid 7 and name ha ) (resid 7 and name hn ) 2.7 0.34 0.28 ! 109 3.28 8.35 234.966    
assign (resid 7 and name ha ) (resid 7 and name hd2# ) 2.77 0.36 0.99 ! 107 3.28 0.85 211.736 V2   
assign (resid 7 and name hb1 ) (resid 7 and name hn ) 2.85 0.39 0.95 ! 119 1.34 8.35 186.276 part2   
assign (resid 7 and name hb1 ) (resid 7 and name hd2# ) 2.88 0.39 0.62 ! 118 1.34 0.85 179.316 V2   
assign (resid 7 and name ha ) (resid 7 and name hb1 ) 2.5 0.35 0.36 ! 104 3.28 1.33 139.035    
assign (resid 7 and name ha ) (resid 7 and name hb2 ) 3.17 0.49 0.39 ! 105 3.29 1.82 119.741    
assign (resid 7 and name hb2 ) (resid 7 and name hd2# ) 3.27 0.52 0.72 ! 124 1.82 0.85 104.892 V2   
assign (resid 7 and name hd1# ) (resid 7 and name hn ) 3.35 0.54 0.74 ! 130 0.95 8.35 95.8265 V2   
assign (resid 7 and name ha ) (resid 7 and name hd1# ) 3.38 0.56 1.5 ! 106 3.28 0.95 91.3285 V2   
assign (resid 7 and name ha ) (resid 7 and name hg ) 3.4 0.56 0.46 ! 108 3.27 1.57 89.8245    
assign (resid 7 and name hg ) (resid 7 and name hb1 ) 3.57 0.61 0.52 ! 142 1.57 1.33 73.0435    
assign (resid 7 and name hb1 ) (resid 8 and name hn ) 3.3 0.53 0.43 ! 120 1.34 8.1 101.947    
assign (resid 7 and name ha ) (resid 8 and name hn ) 3.48 0.58 0.49 ! 110 3.27 8.1 81.6236    
assign (resid 7 and name hd1# ) (resid 8 and name hn ) 4.12 0.79 1.2 ! 131 0.95 8.1 40.346 V2   
assign (resid 8 and name ha ) (resid 10 and name hn ) 3.59 0.62 0.53 ! 155 4.01 7.35 71.5973    
assign (resid 8 and name hb ) (resid 10 and name hn ) 3.95 0.74 0.69 ! 159 1.47 7.36 47.7185    
assign (resid 8 and name hb ) (resid 5 and name he21 ) 3.78 0.68 0.61 ! 156 1.47 6.94 57.4995    
assign (resid 8 and name hn ) (resid 7 and name hn ) 2.67 0.33 0.27 ! 160 8.1 8.35 243.351    
assign (resid 8 and name ha ) (resid 8 and name hb ) 2.15 0.17 0.19 ! 152 4 1.47 599.166    
assign (resid 8 and name hb ) (resid 8 and name hn ) 2.22 0.19 0.2 ! 157 1.47 8.1 527.239    
assign (resid 8 and name ha ) (resid 8 and name hn ) 2.62 0.31 0.26 ! 153 4 8.1 263.482    
assign (resid 8 and name hn ) (resid 9 and name hn ) 2.71 0.34 0.28 ! 161 8.11 7.88 230.7    
assign (resid 8 and name hb ) (resid 9 and name hn ) 2.74 0.35 0.29 ! 158 1.47 7.88 219.165    
assign (resid 8 and name ha ) (resid 9 and name hn ) 3.56 0.61 0.52 ! 154 4 7.88 73.6093    
assign (resid 9 and name ha ) (resid 10 and name hn ) 3.03 0.6 0.51 ! 164 4.49 7.35 76.5338    
assign (resid 9 and name hb2 ) (resid 10 and name hn ) 3.93 0.73 0.68 ! 171 2.7 7.36 49.0561    
assign (resid 9 and name hb1 ) (resid 10 and name hn ) 4.2 0.81 0.83 ! 167 2.82 7.36 37.2329    
assign (resid 9 and name hn ) (resid 11 and name hn ) 3.58 0.62 0.53 ! 174 7.88 8.34 72.2674    
assign (resid 9 and name hb1 ) (resid 11 and name hn ) 4.12 0.45 0.65 ! 168 2.82 8.33 25.0024 ?as   
assign (resid 9 and name hb2 ) (resid 11 and name hn ) 3.9 0.47 0.65 ! 172 2.7 8.33 23.5091 ?as   
assign (resid 9 and name hb2 ) (resid 6 and name hd1 ) 4.72 0.58 0.67 ! 169 2.69 6.76 30.1333 ?as   
assign (resid 9 and name ha ) (resid 8 and name hb ) 4.11 0.78 0.77 ! 162 4.49 1.47 40.7988    
assign (resid 9 and name hb2 ) (resid 9 and name hn ) 2.54 0.29 0.25 ! 170 2.69 7.88 302.185    
assign (resid 9 and name ha ) (resid 9 and name hn ) 2.84 0.38 0.31 ! 163 4.48 7.88 188.651    
assign (resid 9 and name ha ) (resid 9 and name hb1 ) 3.2 0.38 0.31 !        
assign (resid 9 and name hb1 ) (resid 9 and name hn ) 2.85 0.39 0.91 ! 166 2.82 7.88 "186.485part2,loosen"    
assign (resid 12 and name hb1 ) (resid 12 and name hn ) 3.26 0.52 0.42 ! 219 3.54 8.98 106.252    
assign (resid 12 and name hb2 ) (resid 12 and name hd1 ) 2.69 0.14 0.8 ! *215 3.53 7.62 236.28    
assign (resid 12 and name hb1 ) (resid 12 and name he3 ) 3.16 0.18 0.99 ! *217 3.18 7.92 121.079    
assign (resid 12 and name hb1 ) (resid 13 and name hn ) 3.73 0.67 0.59 ! 223 3.53 7.78 60.6969    
assign (resid 16 and name hg2 ) (resid 15 and name hn ) 4.2 0.6 0.75 ! 296 1.84 7.44 26.3726    
assign (resid 16 and name hg2 ) (resid 16 and name hn ) 2.7 0.27 0.47 ! 298 1.56 8.1 130.12    
assign (resid 16 and name hd1 ) (resid 16 and name hg2 ) 2.79 0.4 0.32 ! 285 3.17 1.84 177.524    
assign (resid 16 and name hd2 ) (resid 16 and name hg1 ) 2.6 0.29 0.3 ! 291 3.26 1.55 79.8721    
assign (resid 16 and name hg2 ) (resid 6 and name hd1 ) 2.55 0.29 0.25 ! 293 1.84 6.76 297.753    
assign (resid 17 and name ha ) (resid 18 and name hd2 ) 2.55 0.29 0.25 ! 311 4.02 3.18 298.663    
assign (resid 18 and name hd1 ) (resid 18 and name hb2 ) 4 0.75 0.72 ! 364 2.34 1.1 45.2804    
assign (resid 18 and name hg2 ) (resid 18 and name hb2 ) 2.5 0.47 0.38 ! 377 1.55 1.1 127.318 VSA   
assign (resid 18 and name hg1 ) (resid 6 and name hz2 ) 3.88 0.81 0.82 ! 371 1.22 5.76 37.7639 VW3   
assign (resid 16 and name hh1# ) (resid 16 and name g1 ) 2.2 0.2 0.35 ! est 280      
assign (resid 16 and name hh2# ) (resid 5 and name hg1 ) 3.4 0.3 0.4 ! est 280      
assign (resid 16 and name hh1# ) (resid 16 and name d1 ) 3.6 0.4 0.6 ! est 280      
assign (resid 16 and name hh1# ) (resid 16 and name d2 ) 2.2 0.2 0.5 ! est 280      
assign (resid 6 and name ha ) (resid 16 and name hh2# ) 2.6 0.5 0.6 ! est 280      
assign (resid 9 and name b1 ) (resid 16 and name hh1# ) 3.8 0.6 0.8 ! est 280      

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