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
	552364	2ksy	16678	cing	1-original	1	HADDOCK	distance	NOE	ambi

assign ( resid 121 and name HG2#
  )
       ( resid 13 and name HB
  or resid 16 and name HB3
  or resid 33 and name HB2
  or resid 56 and name HG
  or resid 62 and name HB3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 90 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 141 and name HB2
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 159 and name HB3
  or resid 168 and name HB
  or resid 180 and name HB3
  or resid 180 and name HG
  or resid 196 and name HB2
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 4.0 0.8 0.8 volume=0.768 peak=1 ppm1=1.294 ppm2=2.136

assign ( resid 117 and name HE#
  )
       ( resid 15 and name HE#
  or resid 61 and name HB
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 68 and name HB
  or resid 126 and name HB3
  or resid 169 and name HB
  or resid 170 and name HG
  or resid 177 and name HB
  or resid 180 and name HG
  or resid 192 and name HB
  or resid 225 and name HB3
  or resid 237 and name HB
  ) 3.0 0.6 0.6 volume=4.939 peak=2 ppm1=1.927 ppm2=2.220

assign ( resid 117 and name HE#
  )
       ( resid 28 and name HB2
  or resid 33 and name HG3
  or resid 33 and name HG2
  or resid 73 and name HB3
  or resid 75 and name HB2
  or resid 86 and name HB3
  or resid 90 and name HB3
  or resid 97 and name HG3
  or resid 122 and name HG2
  or resid 129 and name HG3
  or resid 145 and name HG2
  or resid 145 and name HG3
  or resid 170 and name HB3
  or resid 222 and name HG2
  or resid 225 and name HG2
  or resid 225 and name HG3
  ) 3.3 0.7 0.7 volume=2.710 peak=3 ppm1=1.927 ppm2=2.484

assign ( resid 117 and name HE#
  )
       ( resid 27 and name HA
  or resid 39 and name HA
  or resid 45 and name HA2
  or resid 58 and name HA
  or resid 64 and name HA
  or resid 68 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 166 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  ) 4.0 0.8 0.8 volume=0.736 peak=4 ppm1=1.929 ppm2=4.005

assign ( resid 25 and name HB#
  )
       ( resid 6 and name H
  or resid 24 and name HE3
  or resid 24 and name HZ2
  or resid 51 and name HD#
  or resid 54 and name H
  or resid 105 and name HD21
  or resid 156 and name H
  or resid 165 and name HD21
  or resid 176 and name HD#
  or resid 178 and name HD1
  ) 4.8 1.0 1.0 volume=0.303 peak=5 ppm1=1.890 ppm2=7.638

assign ( resid 25 and name HB#
  )
       ( resid 3 and name H
  or resid 12 and name H
  or resid 23 and name H
  or resid 42 and name H
  or resid 50 and name H
  or resid 65 and name H
  or resid 87 and name H
  or resid 128 and name H
  or resid 134 and name H
  or resid 139 and name H
  or resid 157 and name H
  or resid 161 and name H
  or resid 200 and name H
  or resid 213 and name H
  ) 4.7 0.9 0.9 volume=0.308 peak=6 ppm1=1.890 ppm2=8.582

assign ( resid 77 and name HD1#
  )
       ( resid 4 and name HD1#
  or resid 74 and name HD1#
  or resid 89 and name HD2#
  or resid 100 and name HG2#
  or resid 141 and name HD2#
  ) 4.5 0.9 0.9 volume=1.178 peak=7 ppm1=0.863 ppm2=0.675

assign ( resid 121 and name HG2#
  )
       ( resid 40 and name HD1#
  or resid 80 and name HG2#
  or resid 122 and name H
  or resid 138 and name HG1#
  or resid 194 and name HG1#
  ) 4.0 0.8 0.8 volume=1.574 peak=8 ppm1=1.294 ppm2=0.458

assign ( resid 83 and name HD1#
  )
       ( resid 27 and name H
  or resid 37 and name HD#
  or resid 37 and name H
  or resid 56 and name H
  or resid 76 and name HH2
  or resid 86 and name HD#
  or resid 93 and name H
  or resid 118 and name H
  or resid 124 and name HD#
  or resid 134 and name HZ
  or resid 151 and name HE22
  or resid 176 and name HE#
  or resid 223 and name HD2
  ) 4.5 0.9 0.9 volume=0.467 peak=9 ppm1=1.126 ppm2=7.390

assign ( resid 83 and name HD1#
  )
       ( resid 9 and name HZ3
  or resid 47 and name H
  or resid 82 and name H
  or resid 85 and name HD#
  or resid 139 and name HD#
  or resid 208 and name HD#
  ) 5.5 1.1 1.1 volume=0.157 peak=10 ppm1=1.123 ppm2=6.939

assign ( resid 100 and name HG2#
  )
       ( resid 3 and name H
  or resid 17 and name H
  or resid 23 and name H
  or resid 48 and name H
  or resid 63 and name H
  or resid 65 and name H
  or resid 87 and name H
  or resid 98 and name H
  or resid 102 and name H
  or resid 111 and name H
  or resid 121 and name H
  or resid 142 and name H
  or resid 157 and name H
  or resid 161 and name H
  or resid 213 and name H
  ) 4.7 0.9 0.9 volume=0.282 peak=11 ppm1=0.708 ppm2=8.638

assign ( resid 100 and name HD1#
  )
       ( resid 3 and name H
  or resid 17 and name H
  or resid 23 and name H
  or resid 48 and name H
  or resid 63 and name H
  or resid 65 and name H
  or resid 87 and name H
  or resid 98 and name H
  or resid 102 and name H
  or resid 111 and name H
  or resid 121 and name H
  or resid 142 and name H
  or resid 157 and name H
  or resid 161 and name H
  or resid 213 and name H
  ) 4.7 0.9 0.9 volume=0.301 peak=12 ppm1=1.078 ppm2=8.638

assign ( resid 102 and name HB
  or resid 156 and name HB
  )
       ( resid 10 and name H
  or resid 34 and name H
  or resid 41 and name H
  or resid 43 and name H
  or resid 52 and name H
  or resid 80 and name H
  or resid 84 and name H
  or resid 97 and name H
  or resid 99 and name H
  or resid 107 and name H
  or resid 140 and name H
  or resid 143 and name H
  or resid 158 and name H
  or resid 195 and name H
  or resid 223 and name H
  or resid 224 and name H
  or resid 227 and name H
  or resid 229 and name H
  or resid 236 and name H
  or resid 238 and name H
  or resid 241 and name H
  ) 4.2 0.8 0.8 volume=0.183 peak=13 ppm1=2.159 ppm2=8.320

assign ( resid 156 and name HD1#
  )
       ( resid 3 and name H
  or resid 23 and name H
  or resid 42 and name H
  or resid 48 and name H
  or resid 63 and name H
  or resid 65 and name H
  or resid 87 and name H
  or resid 98 and name H
  or resid 102 and name H
  or resid 128 and name H
  or resid 139 and name H
  or resid 142 and name H
  or resid 157 and name H
  or resid 161 and name H
  or resid 200 and name H
  or resid 213 and name H
  ) 4.4 0.9 0.9 volume=0.432 peak=14 ppm1=0.961 ppm2=8.606

assign ( resid 121 and name HG2#
  )
       ( resid 18 and name H
  or resid 28 and name H
  or resid 44 and name H
  or resid 83 and name H
  or resid 116 and name H
  or resid 120 and name H
  or resid 125 and name H
  or resid 133 and name H
  or resid 136 and name H
  or resid 149 and name H
  or resid 153 and name H
  or resid 170 and name H
  or resid 215 and name H
  or resid 218 and name H
  or resid 220 and name H
  or resid 230 and name H
  or resid 237 and name H
  ) 4.3 0.9 0.9 volume=0.476 peak=15 ppm1=1.292 ppm2=7.970

assign ( resid 121 and name HD1#
  )
       ( resid 18 and name H
  or resid 44 and name H
  or resid 83 and name H
  or resid 116 and name H
  or resid 120 and name H
  or resid 125 and name H
  or resid 133 and name H
  or resid 136 and name H
  or resid 149 and name H
  or resid 153 and name H
  or resid 188 and name H
  or resid 215 and name H
  or resid 218 and name H
  or resid 220 and name H
  or resid 230 and name H
  or resid 237 and name H
  ) 5.0 1.0 1.0 volume=0.203 peak=16 ppm1=1.203 ppm2=7.980

assign ( resid 121 and name HB
  )
       ( resid 40 and name HD1#
  or resid 80 and name HG2#
  or resid 122 and name H
  or resid 138 and name HG1#
  or resid 194 and name HG1#
  ) 4.6 0.9 0.9 volume=0.228 peak=17 ppm1=2.315 ppm2=0.449

assign ( resid 121 and name HG12
  )
       ( resid 40 and name HD1#
  or resid 80 and name HG2#
  or resid 122 and name H
  or resid 138 and name HG1#
  or resid 194 and name HG1#
  ) 4.7 0.9 0.9 volume=0.210 peak=18 ppm1=1.843 ppm2=0.448

assign ( resid 177 and name HG2#
  )
       ( resid 7 and name H
  or resid 40 and name H
  or resid 51 and name HD#
  or resid 60 and name HH2
  or resid 98 and name HE#
  or resid 109 and name H
  or resid 151 and name H
  or resid 152 and name H
  or resid 156 and name H
  or resid 166 and name H
  or resid 171 and name HD1
  or resid 174 and name H
  or resid 176 and name H
  or resid 199 and name H
  or resid 210 and name HD#
  ) 4.7 0.9 0.9 volume=0.316 peak=19 ppm1=1.198 ppm2=7.549

assign ( resid 211 and name HD1#
  )
       ( resid 9 and name HZ3
  or resid 86 and name HE#
  or resid 113 and name HD#
  or resid 139 and name HD#
  or resid 199 and name HD#
  or resid 208 and name HD#
  ) 5.2 1.0 1.0 volume=0.276 peak=20 ppm1=0.914 ppm2=6.993

assign ( resid 211 and name HD1#
  )
       ( resid 37 and name HB3
  or resid 69 and name HB3
  or resid 124 and name HB3
  or resid 152 and name HD3
  or resid 160 and name HB2
  or resid 161 and name HA
  or resid 164 and name HD2
  or resid 201 and name HB3
  or resid 208 and name HB2
  ) 4.4 0.9 0.9 volume=0.468 peak=21 ppm1=0.914 ppm2=3.263

assign ( resid 227 and name HG
  )
       ( resid 10 and name H
  or resid 34 and name H
  or resid 41 and name H
  or resid 43 and name H
  or resid 52 and name H
  or resid 80 and name H
  or resid 97 and name H
  or resid 99 and name H
  or resid 104 and name H
  or resid 107 and name H
  or resid 140 and name H
  or resid 158 and name H
  or resid 195 and name H
  or resid 203 and name H
  or resid 224 and name H
  or resid 227 and name H
  or resid 229 and name H
  or resid 236 and name H
  or resid 238 and name H
  ) 3.2 0.6 0.6 volume=1.051 peak=22 ppm1=1.776 ppm2=8.348

assign ( resid 179 and name HD1#
  )
       ( resid 24 and name HE3
  or resid 24 and name HZ2
  or resid 51 and name HD#
  or resid 105 and name HD21
  or resid 109 and name H
  or resid 151 and name H
  or resid 152 and name H
  or resid 156 and name H
  or resid 165 and name HD21
  or resid 176 and name HD#
  or resid 178 and name HD1
  ) 4.4 0.9 0.9 volume=0.456 peak=23 ppm1=0.787 ppm2=7.610

assign ( resid 179 and name HD2#
  )
       ( resid 24 and name HE3
  or resid 24 and name HZ2
  or resid 51 and name HD#
  or resid 105 and name HD21
  or resid 109 and name H
  or resid 151 and name H
  or resid 152 and name H
  or resid 156 and name H
  or resid 165 and name HD21
  or resid 176 and name HD#
  or resid 178 and name HD1
  ) 4.4 0.9 0.9 volume=0.471 peak=24 ppm1=0.872 ppm2=7.608

assign ( resid 166 and name HD1#
  )
       ( resid 76 and name HE1
  or resid 167 and name HG2#
  or resid 171 and name H
  ) 4.6 0.9 0.9 volume=0.440 peak=25 ppm1=1.190 ppm2=-0.156

assign ( resid 126 and name HB3
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 46 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG2#
  or resid 61 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 68 and name HG2#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 142 and name HG1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 240 and name HD1#
  ) 4.6 0.9 0.9 volume=0.333 peak=26 ppm1=2.167 ppm2=0.990

assign ( resid 87 and name HD1#
  or resid 188 and name HD1#
  )
       ( resid 8 and name HE#
  or resid 36 and name HD#
  or resid 36 and name HE#
  or resid 69 and name HZ
  or resid 86 and name HZ
  or resid 139 and name HE#
  or resid 199 and name HE#
  ) 5.1 1.0 1.0 volume=0.294 peak=27 ppm1=1.003 ppm2=6.674

assign ( resid 74 and name HD1#
  )
       ( resid 4 and name HB2
  or resid 10 and name HB3
  or resid 13 and name HG13
  or resid 20 and name HG
  or resid 20 and name HB3
  or resid 33 and name HB2
  or resid 40 and name HB3
  or resid 40 and name HG
  or resid 43 and name HB
  or resid 46 and name HB
  or resid 46 and name HG13
  or resid 56 and name HB2
  or resid 58 and name HB
  or resid 77 and name HG13
  or resid 77 and name HB
  or resid 101 and name HB
  or resid 110 and name HG
  or resid 129 and name HE#
  or resid 135 and name HG13
  or resid 138 and name HB
  or resid 141 and name HG
  or resid 162 and name HB2
  or resid 188 and name HG
  or resid 196 and name HG
  or resid 211 and name HB
  or resid 241 and name HB3
  or resid 241 and name HB2
  ) 4.1 0.8 0.8 volume=0.735 peak=28 ppm1=0.700 ppm2=2.049

assign ( resid 74 and name HD1#
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 53 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 100 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  ) 5.2 1.0 1.0 volume=0.168 peak=29 ppm1=0.700 ppm2=3.717

assign ( resid 74 and name HD1#
  )
       ( resid 65 and name HA
  or resid 67 and name HA
  or resid 78 and name HA
  or resid 81 and name HA
  or resid 103 and name HB
  or resid 106 and name HB
  or resid 118 and name HA
  or resid 120 and name HA3
  or resid 141 and name HA
  or resid 151 and name HA
  or resid 170 and name HA
  or resid 187 and name HA
  or resid 225 and name HA
  or resid 227 and name HA
  or resid 228 and name HA
  or resid 232 and name HA
  or resid 236 and name HA
  or resid 238 and name HA
  ) 5.3 1.1 1.1 volume=0.147 peak=30 ppm1=0.700 ppm2=4.516

assign ( resid 74 and name HD1#
  )
       ( resid 5 and name H
  or resid 15 and name H
  or resid 35 and name H
  or resid 55 and name H
  or resid 60 and name H
  or resid 77 and name H
  or resid 94 and name H
  or resid 137 and name H
  or resid 141 and name H
  or resid 196 and name H
  or resid 202 and name H
  or resid 211 and name H
  or resid 225 and name H
  or resid 231 and name H
  or resid 233 and name H
  ) 5.0 1.0 1.0 volume=0.212 peak=31 ppm1=0.700 ppm2=8.473

assign ( resid 13 and name HD1#
  )
       ( resid 9 and name HB2
  or resid 11 and name HA2
  or resid 11 and name HA3
  or resid 22 and name HB2
  or resid 85 and name HB3
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 98 and name HB3
  or resid 113 and name HB3
  or resid 113 and name HB2
  or resid 138 and name HA
  or resid 143 and name HA3
  or resid 168 and name HA
  or resid 199 and name HB3
  or resid 210 and name HB2
  or resid 220 and name HD2
  or resid 220 and name HD3
  or resid 223 and name HB2
  ) 4.2 0.8 0.8 volume=0.591 peak=32 ppm1=0.973 ppm2=3.396

assign ( resid 13 and name HD1#
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 24 and name HB3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 46 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 91 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  or resid 140 and name HA
  ) 4.1 0.8 0.8 volume=0.665 peak=33 ppm1=0.972 ppm2=3.668

assign ( resid 156 and name HD1#
  )
       ( resid 31 and name HA
  or resid 44 and name HA
  or resid 47 and name HA
  or resid 85 and name HA
  or resid 117 and name HA
  or resid 152 and name HA
  or resid 189 and name HA
  or resid 204 and name HB
  or resid 234 and name HA
  ) 5.0 1.0 1.0 volume=0.213 peak=34 ppm1=0.968 ppm2=4.678

assign ( resid 13 and name HD1#
  )
       ( resid 8 and name HA
  or resid 9 and name HA
  or resid 28 and name HA
  or resid 66 and name HA
  or resid 94 and name HA
  or resid 189 and name HB
  or resid 223 and name HA
  ) 4.9 1.0 1.0 volume=0.223 peak=35 ppm1=0.962 ppm2=4.944

assign ( resid 13 and name HD1#
  )
       ( resid 6 and name H
  or resid 9 and name HE3
  or resid 36 and name H
  or resid 39 and name H
  or resid 49 and name H
  or resid 54 and name H
  or resid 60 and name HZ2
  or resid 75 and name H
  or resid 78 and name H
  or resid 92 and name H
  or resid 159 and name H
  or resid 162 and name H
  or resid 172 and name H
  or resid 205 and name H
  ) 4.4 0.9 0.9 volume=0.475 peak=36 ppm1=0.970 ppm2=7.707

assign ( resid 46 and name HG2#
  )
       ( resid 6 and name HB
  or resid 65 and name HA
  or resid 67 and name HA
  or resid 78 and name HA
  or resid 81 and name HA
  or resid 103 and name HB
  or resid 106 and name HB
  or resid 118 and name HA
  or resid 120 and name HA3
  or resid 141 and name HA
  or resid 151 and name HA
  or resid 170 and name HA
  or resid 187 and name HA
  or resid 225 and name HA
  or resid 227 and name HA
  or resid 228 and name HA
  or resid 232 and name HA
  or resid 236 and name HA
  or resid 238 and name HA
  ) 5.0 1.0 1.0 volume=0.197 peak=37 ppm1=0.938 ppm2=4.515

assign ( resid 43 and name HD1#
  )
       ( resid 15 and name HE#
  or resid 61 and name HB
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 68 and name HB
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 156 and name HB
  or resid 169 and name HB
  or resid 170 and name HG
  or resid 177 and name HB
  or resid 180 and name HG
  or resid 192 and name HB
  or resid 202 and name HB2
  or resid 225 and name HB3
  or resid 237 and name HB
  ) 3.9 0.8 0.8 volume=0.966 peak=38 ppm1=0.853 ppm2=2.216

assign ( resid 43 and name HG2#
  or resid 77 and name HG2#
  )
       ( resid 8 and name HD#
  or resid 22 and name HE#
  or resid 22 and name HD#
  or resid 24 and name HZ3
  or resid 51 and name HE#
  or resid 60 and name HD1
  or resid 74 and name H
  or resid 113 and name HE#
  or resid 127 and name HE#
  or resid 140 and name HD#
  or resid 165 and name HD22
  or resid 184 and name H
  ) 4.5 0.9 0.9 volume=0.543 peak=39 ppm1=0.989 ppm2=7.171

assign ( resid 43 and name HG2#
  or resid 77 and name HG2#
  )
       ( resid 73 and name HD#
  or resid 76 and name HD1
  or resid 86 and name HE#
  or resid 113 and name HD#
  or resid 160 and name HD#
  or resid 199 and name HD#
  or resid 210 and name HZ
  ) 4.7 0.9 0.9 volume=0.447 peak=40 ppm1=0.988 ppm2=7.039

assign ( resid 46 and name HD1#
  )
       ( resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  ) 4.1 0.8 0.8 volume=1.216 peak=41 ppm1=0.885 ppm2=1.427

assign ( resid 46 and name HG2#
  )
       ( resid 12 and name H
  or resid 15 and name H
  or resid 35 and name H
  or resid 42 and name H
  or resid 50 and name H
  or resid 60 and name H
  or resid 77 and name H
  or resid 128 and name H
  or resid 134 and name H
  or resid 137 and name H
  or resid 196 and name H
  or resid 200 and name H
  or resid 202 and name H
  or resid 211 and name H
  or resid 231 and name H
  ) 5.0 1.0 1.0 volume=0.219 peak=42 ppm1=0.935 ppm2=8.519

assign ( resid 46 and name HG2#
  )
       ( resid 6 and name H
  or resid 9 and name HE3
  or resid 36 and name H
  or resid 39 and name H
  or resid 49 and name H
  or resid 54 and name H
  or resid 60 and name HZ2
  or resid 78 and name H
  or resid 159 and name H
  or resid 162 and name H
  or resid 205 and name H
  ) 4.4 0.9 0.9 volume=0.466 peak=43 ppm1=0.935 ppm2=7.693

assign ( resid 46 and name HG2#
  )
       ( resid 58 and name HA
  or resid 70 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 92 and name HA2
  or resid 92 and name HA3
  or resid 103 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 136 and name HA2
  or resid 145 and name HA
  or resid 195 and name HA
  ) 4.1 0.8 0.8 volume=0.677 peak=44 ppm1=0.935 ppm2=3.945

assign ( resid 46 and name HG2#
  )
       ( resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  ) 4.1 0.8 0.8 volume=1.188 peak=45 ppm1=0.934 ppm2=1.427

assign ( resid 55 and name HB#
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG2#
  or resid 61 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 68 and name HG2#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 142 and name HG1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 240 and name HD1#
  ) 5.0 1.0 1.0 volume=0.590 peak=46 ppm1=0.188 ppm2=0.992

assign ( resid 100 and name HD1#
  )
       ( resid 9 and name HB2
  or resid 11 and name HA2
  or resid 11 and name HA3
  or resid 22 and name HB2
  or resid 85 and name HB3
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 98 and name HB3
  or resid 108 and name HA
  or resid 138 and name HA
  or resid 143 and name HA3
  or resid 168 and name HA
  or resid 186 and name HA
  or resid 199 and name HB3
  or resid 210 and name HB2
  or resid 220 and name HD2
  or resid 220 and name HD3
  or resid 223 and name HB2
  ) 4.1 0.8 0.8 volume=0.676 peak=47 ppm1=1.073 ppm2=3.407

assign ( resid 5 and name HG2#
  )
       ( resid 4 and name HA
  or resid 38 and name HA
  or resid 45 and name HA3
  or resid 50 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 72 and name HA
  or resid 84 and name HA
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 99 and name HA2
  or resid 100 and name HA
  or resid 101 and name HA
  or resid 113 and name HA
  or resid 167 and name HA
  or resid 169 and name HA
  or resid 191 and name HA
  ) 4.4 0.9 0.9 volume=0.443 peak=48 ppm1=1.907 ppm2=3.770

assign ( resid 5 and name HG2#
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 24 and name HB3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 46 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 91 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  or resid 140 and name HA
  ) 4.4 0.9 0.9 volume=0.424 peak=49 ppm1=1.907 ppm2=3.671

assign ( resid 131 and name HB#
  )
       ( resid 12 and name H
  or resid 15 and name H
  or resid 23 and name H
  or resid 42 and name H
  or resid 50 and name H
  or resid 60 and name H
  or resid 128 and name H
  or resid 134 and name H
  or resid 137 and name H
  or resid 139 and name H
  or resid 196 and name H
  or resid 200 and name H
  or resid 202 and name H
  or resid 231 and name H
  ) 4.2 0.8 0.8 volume=0.629 peak=50 ppm1=1.210 ppm2=8.544

assign ( resid 38 and name HG1#
  or resid 70 and name HG2#
  )
       ( resid 37 and name HE#
  or resid 47 and name H
  or resid 73 and name HE#
  or resid 85 and name HD#
  or resid 124 and name HE#
  or resid 140 and name HE#
  or resid 151 and name HE21
  or resid 178 and name HE3
  ) 5.3 1.1 1.1 volume=0.218 peak=51 ppm1=1.164 ppm2=6.873

assign ( resid 118 and name HG1#
  )
       ( resid 36 and name HE#
  or resid 72 and name H
  or resid 178 and name HH2
  ) 5.5 1.1 1.1 volume=0.138 peak=52 ppm1=1.130 ppm2=6.589

assign ( resid 6 and name HG2#
  )
       ( resid 1 and name HE#
  or resid 2 and name HB
  or resid 38 and name HB
  or resid 53 and name HB
  or resid 78 and name HB3
  or resid 82 and name HG
  or resid 84 and name HB
  or resid 118 and name HB
  or resid 121 and name HB
  or resid 132 and name HB
  or resid 135 and name HB
  or resid 147 and name HG2
  or resid 147 and name HG3
  or resid 161 and name HB
  or resid 173 and name HB
  or resid 173 and name HG13
  or resid 197 and name HB
  or resid 198 and name HB
  or resid 202 and name HB3
  or resid 203 and name HB
  or resid 230 and name HB
  or resid 241 and name HG2
  or resid 241 and name HG3
  ) 4.4 0.9 0.9 volume=0.460 peak=53 ppm1=1.431 ppm2=2.308

assign ( resid 61 and name HG1#
  or resid 118 and name HG1#
  )
       ( resid 28 and name HB3
  or resid 69 and name HB2
  or resid 214 and name HB3
  or resid 214 and name HB2
  or resid 231 and name HB2
  or resid 233 and name HB3
  or resid 233 and name HB2
  or resid 239 and name HB2
  ) 4.5 0.9 0.9 volume=0.370 peak=54 ppm1=1.126 ppm2=2.814

assign ( resid 202 and name HD2#
  )
       ( resid 17 and name HA
  or resid 24 and name HB3
  or resid 46 and name HA
  or resid 49 and name HA
  or resid 52 and name HA
  or resid 60 and name HB2
  or resid 67 and name HB
  or resid 85 and name HB2
  or resid 91 and name HA
  or resid 114 and name HA
  or resid 135 and name HA
  or resid 139 and name HB3
  or resid 140 and name HA
  or resid 143 and name HA2
  or resid 164 and name HD3
  or resid 192 and name HA
  or resid 203 and name HA
  or resid 207 and name HA2
  ) 3.6 0.7 0.7 volume=1.422 peak=55 ppm1=1.017 ppm2=3.609

assign ( resid 169 and name HG2#
  )
       ( resid 96 and name HD2
  or resid 96 and name HD3
  or resid 108 and name HA
  or resid 138 and name HA
  or resid 168 and name HA
  or resid 186 and name HA
  or resid 199 and name HB3
  or resid 210 and name HB2
  or resid 220 and name HD2
  or resid 220 and name HD3
  ) 4.4 0.9 0.9 volume=0.452 peak=56 ppm1=1.213 ppm2=3.424

assign ( resid 189 and name HG2#
  )
       ( resid 4 and name HA
  or resid 38 and name HA
  or resid 45 and name HA3
  or resid 50 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 72 and name HA
  or resid 84 and name HA
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 99 and name HA2
  or resid 100 and name HA
  or resid 101 and name HA
  or resid 113 and name HA
  or resid 167 and name HA
  or resid 169 and name HA
  or resid 177 and name HA
  or resid 191 and name HA
  ) 5.1 1.0 1.0 volume=0.182 peak=57 ppm1=1.613 ppm2=3.781

assign ( resid 189 and name HG2#
  )
       ( resid 17 and name HA
  or resid 18 and name HA2
  or resid 18 and name HA3
  or resid 24 and name HB3
  or resid 46 and name HA
  or resid 49 and name HA
  or resid 52 and name HA
  or resid 67 and name HB
  or resid 85 and name HB2
  or resid 114 and name HA
  or resid 128 and name HA3
  or resid 135 and name HA
  or resid 139 and name HB3
  or resid 143 and name HA2
  or resid 164 and name HD3
  or resid 192 and name HA
  or resid 203 and name HA
  or resid 207 and name HA2
  ) 5.2 1.0 1.0 volume=0.163 peak=58 ppm1=1.611 ppm2=3.592

assign ( resid 93 and name HD1#
  )
       ( resid 26 and name HA2
  or resid 27 and name HD2
  or resid 37 and name HB2
  or resid 66 and name HD3
  or resid 66 and name HD2
  or resid 69 and name HB3
  or resid 75 and name HB3
  or resid 94 and name HB3
  or resid 98 and name HB2
  or resid 124 and name HB2
  or resid 127 and name HB3
  or resid 152 and name HD3
  or resid 161 and name HA
  or resid 164 and name HD2
  or resid 165 and name HB3
  or resid 201 and name HB3
  ) 4.8 1.0 1.0 volume=0.260 peak=59 ppm1=0.774 ppm2=3.195

assign ( resid 108 and name HG2#
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 42 and name HA2
  or resid 53 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 72 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 100 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  ) 4.8 1.0 1.0 volume=0.268 peak=60 ppm1=1.493 ppm2=3.724

assign ( resid 211 and name HG2#
  )
       ( resid 37 and name HB3
  or resid 69 and name HB3
  or resid 124 and name HB3
  or resid 152 and name HD3
  or resid 160 and name HB2
  or resid 161 and name HA
  or resid 164 and name HD2
  or resid 165 and name HB3
  or resid 201 and name HB3
  or resid 208 and name HB2
  ) 3.7 0.7 0.7 volume=1.254 peak=61 ppm1=0.846 ppm2=3.261

assign ( resid 20 and name HD2#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 3.1 0.6 0.6 volume=5.481 peak=62 ppm1=0.947 ppm2=1.407

assign ( resid 89 and name HD2#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 146 and name HG2#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 3.7 0.7 0.7 volume=1.887 peak=63 ppm1=0.628 ppm2=1.403

assign ( resid 12 and name HB#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 146 and name HG2#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 232 and name HG2#
  or resid 234 and name HG2#
  ) 4.1 0.8 0.8 volume=1.140 peak=64 ppm1=1.806 ppm2=1.401

assign ( resid 129 and name HE#
  )
       ( resid 44 and name H
  or resid 125 and name H
  or resid 127 and name H
  or resid 129 and name H
  or resid 130 and name H
  or resid 132 and name H
  or resid 148 and name H
  or resid 153 and name H
  or resid 181 and name H
  or resid 186 and name H
  or resid 187 and name H
  or resid 188 and name H
  or resid 197 and name H
  or resid 209 and name H
  or resid 219 and name H
  or resid 220 and name H
  or resid 237 and name H
  ) 3.9 0.8 0.8 volume=0.973 peak=65 ppm1=2.070 ppm2=8.040

assign ( resid 129 and name HE#
  )
       ( resid 22 and name HD#
  or resid 24 and name HD1
  or resid 74 and name H
  or resid 98 and name HZ
  or resid 126 and name H
  or resid 127 and name HE#
  or resid 165 and name HD22
  or resid 176 and name HZ
  or resid 178 and name HZ2
  or resid 192 and name H
  or resid 210 and name HE#
  ) 5.1 1.0 1.0 volume=0.201 peak=66 ppm1=2.070 ppm2=7.236

assign ( resid 1 and name HE#
  )
       ( resid 69 and name HE#
  or resid 73 and name H
  ) 5.7 1.1 1.1 volume=0.127 peak=67 ppm1=2.281 ppm2=6.339

assign ( resid 15 and name HE#
  )
       ( resid 6 and name H
  or resid 24 and name HE3
  or resid 24 and name HZ2
  or resid 49 and name H
  or resid 54 and name H
  or resid 105 and name HD21
  or resid 165 and name HD21
  or resid 176 and name HD#
  or resid 178 and name HD1
  ) 4.7 0.9 0.9 volume=0.305 peak=68 ppm1=2.197 ppm2=7.647

assign ( resid 15 and name HE#
  )
       ( resid 23 and name HB#
  or resid 39 and name HG2#
  or resid 46 and name HG12
  or resid 48 and name HB#
  or resid 79 and name HG2#
  or resid 90 and name HB2
  or resid 96 and name HB3
  or resid 121 and name HG13
  or resid 125 and name HB#
  or resid 156 and name HG13
  or resid 159 and name HB2
  or resid 163 and name HB3
  or resid 163 and name HG
  or resid 215 and name HB#
  or resid 216 and name HB#
  or resid 217 and name HB#
  or resid 227 and name HB2
  or resid 240 and name HB2
  ) 4.4 0.9 0.9 volume=0.650 peak=69 ppm1=2.197 ppm2=1.717

assign ( resid 1 and name HE#
  )
       ( resid 9 and name HZ2
  or resid 60 and name HZ3
  or resid 93 and name H
  or resid 134 and name HE#
  or resid 169 and name H
  or resid 171 and name HE3
  or resid 171 and name HH2
  or resid 171 and name HD1
  or resid 176 and name HE#
  or resid 199 and name H
  or resid 208 and name H
  or resid 223 and name HD2
  ) 4.7 0.9 0.9 volume=0.306 peak=70 ppm1=2.279 ppm2=7.475

assign ( resid 216 and name HB#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 2.9 0.6 0.6 volume=8.704 peak=71 ppm1=1.689 ppm2=1.410

assign ( resid 25 and name HB#
  )
       ( resid 13 and name HB
  or resid 15 and name HE#
  or resid 56 and name HG
  or resid 61 and name HB
  or resid 62 and name HB3
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 169 and name HB
  or resid 170 and name HG
  or resid 177 and name HB
  or resid 180 and name HG
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 237 and name HB
  ) 4.4 0.9 0.9 volume=0.472 peak=72 ppm1=1.889 ppm2=2.188

assign ( resid 172 and name HB#
  )
       ( resid 13 and name HB
  or resid 16 and name HB3
  or resid 56 and name HG
  or resid 62 and name HB3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 90 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 141 and name HB2
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 159 and name HB3
  or resid 168 and name HB
  or resid 180 and name HB3
  or resid 180 and name HG
  or resid 196 and name HB2
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 3.9 0.8 0.8 volume=0.971 peak=73 ppm1=1.954 ppm2=2.142

assign ( resid 74 and name HG2#
  or resid 83 and name HG2#
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  ) 3.9 0.8 0.8 volume=0.868 peak=74 ppm1=0.862 ppm2=3.705

assign ( resid 102 and name HG2#
  or resid 135 and name HG2#
  )
       ( resid 9 and name HB2
  or resid 11 and name HA2
  or resid 11 and name HA3
  or resid 22 and name HB2
  or resid 85 and name HB3
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 98 and name HB3
  or resid 113 and name HB3
  or resid 113 and name HB2
  or resid 138 and name HA
  or resid 143 and name HA3
  or resid 152 and name HD2
  or resid 199 and name HB3
  or resid 210 and name HB2
  or resid 220 and name HD2
  or resid 220 and name HD3
  or resid 223 and name HB2
  ) 4.7 0.9 0.9 volume=0.316 peak=75 ppm1=1.023 ppm2=3.384

assign ( resid 102 and name HG2#
  or resid 135 and name HG2#
  )
       ( resid 26 and name HA2
  or resid 27 and name HD2
  or resid 37 and name HB2
  or resid 66 and name HD3
  or resid 98 and name HB2
  or resid 124 and name HB2
  or resid 127 and name HB3
  or resid 139 and name HB2
  or resid 176 and name HB3
  ) 5.1 1.0 1.0 volume=0.179 peak=76 ppm1=1.024 ppm2=3.138

assign ( resid 5 and name HG2#
  )
       ( resid 4 and name HB3
  or resid 13 and name HG12
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 106 and name HG2#
  or resid 146 and name HG2#
  or resid 163 and name HB2
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 218 and name HG2#
  or resid 232 and name HG2#
  or resid 234 and name HG2#
  ) 4.1 0.8 0.8 volume=0.917 peak=77 ppm1=1.908 ppm2=1.354

assign ( resid 19 and name HG2#
  )
       ( resid 45 and name HA2
  or resid 58 and name HA
  or resid 64 and name HA
  or resid 70 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  ) 3.6 0.7 0.7 volume=1.599 peak=78 ppm1=1.424 ppm2=3.981

assign ( resid 39 and name HG2#
  )
       ( resid 1 and name HE#
  or resid 2 and name HB
  or resid 38 and name HB
  or resid 53 and name HB
  or resid 78 and name HB3
  or resid 82 and name HG
  or resid 118 and name HB
  or resid 121 and name HB
  or resid 132 and name HB
  or resid 161 and name HB
  or resid 169 and name HB
  or resid 170 and name HG
  or resid 173 and name HB
  or resid 173 and name HG13
  or resid 192 and name HB
  or resid 202 and name HB3
  or resid 203 and name HB
  or resid 225 and name HB3
  or resid 230 and name HB
  or resid 237 and name HB
  or resid 241 and name HG2
  or resid 241 and name HG3
  ) 4.4 0.9 0.9 volume=0.460 peak=79 ppm1=1.755 ppm2=2.279

assign ( resid 5 and name HG2#
  )
       ( resid 7 and name HD2#
  or resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 46 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG1#
  or resid 58 and name HG2#
  or resid 77 and name HG2#
  or resid 90 and name HD2#
  or resid 104 and name HD1#
  or resid 107 and name HG1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 135 and name HD1#
  or resid 138 and name HG2#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 188 and name HD2#
  or resid 196 and name HD2#
  or resid 203 and name HG1#
  or resid 211 and name HD1#
  or resid 227 and name HD2#
  or resid 240 and name HD1#
  ) 4.2 0.8 0.8 volume=1.626 peak=80 ppm1=1.908 ppm2=0.960

assign ( resid 54 and name HE#
  )
       ( resid 9 and name HE1
  or resid 24 and name HE1
  or resid 60 and name HE1
  or resid 163 and name HD1#
  or resid 200 and name HD1#
  ) 4.7 0.9 0.9 volume=0.417 peak=81 ppm1=1.267 ppm2=0.325

assign ( resid 108 and name HG2#
  )
       ( resid 4 and name HB2
  or resid 10 and name HB3
  or resid 13 and name HG13
  or resid 20 and name HG
  or resid 20 and name HB3
  or resid 33 and name HB2
  or resid 40 and name HB3
  or resid 40 and name HG
  or resid 43 and name HB
  or resid 46 and name HB
  or resid 46 and name HG13
  or resid 56 and name HB2
  or resid 58 and name HB
  or resid 77 and name HG13
  or resid 77 and name HB
  or resid 90 and name HG
  or resid 101 and name HB
  or resid 110 and name HG
  or resid 129 and name HE#
  or resid 135 and name HG13
  or resid 138 and name HB
  or resid 141 and name HB2
  or resid 141 and name HG
  or resid 159 and name HB3
  or resid 162 and name HB2
  or resid 180 and name HB3
  or resid 188 and name HG
  or resid 196 and name HG
  or resid 196 and name HB2
  or resid 211 and name HB
  or resid 241 and name HB3
  or resid 241 and name HB2
  ) 4.8 1.0 1.0 volume=0.271 peak=82 ppm1=1.493 ppm2=2.065

assign ( resid 170 and name HD2#
  )
       ( resid 86 and name HE#
  or resid 113 and name HD#
  or resid 139 and name HD#
  or resid 160 and name HD#
  or resid 199 and name HD#
  or resid 208 and name HD#
  ) 5.2 1.0 1.0 volume=0.310 peak=83 ppm1=1.148 ppm2=7.002

assign ( resid 219 and name HD2#
  )
       ( resid 33 and name HG3
  or resid 33 and name HG2
  or resid 49 and name HB
  or resid 65 and name HB3
  or resid 65 and name HB2
  or resid 73 and name HB3
  or resid 75 and name HB2
  or resid 86 and name HB3
  or resid 90 and name HB3
  or resid 122 and name HG2
  or resid 170 and name HB3
  or resid 222 and name HG2
  or resid 225 and name HG2
  or resid 225 and name HG3
  ) 4.0 0.8 0.8 volume=0.798 peak=84 ppm1=0.851 ppm2=2.460

assign ( resid 197 and name HD1#
  )
       ( resid 22 and name HB3
  or resid 24 and name HB2
  or resid 51 and name HB2
  or resid 73 and name HB2
  or resid 74 and name HA
  or resid 86 and name HB2
  or resid 107 and name HA
  or resid 127 and name HA
  or resid 128 and name HA3
  or resid 134 and name HB3
  or resid 134 and name HB2
  or resid 176 and name HB2
  or resid 178 and name HB3
  or resid 178 and name HB2
  or resid 210 and name HB3
  or resid 223 and name HB3
  ) 4.7 0.9 0.9 volume=0.293 peak=85 ppm1=1.088 ppm2=3.505

assign ( resid 129 and name HE#
  )
       ( resid 20 and name HB2
  or resid 21 and name HB#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 78 and name HB2
  or resid 108 and name HG2#
  or resid 110 and name HB3
  or resid 135 and name HG12
  or resid 186 and name HB#
  or resid 195 and name HB#
  or resid 200 and name HB2
  or resid 228 and name HB#
  or resid 236 and name HB#
  or resid 238 and name HB#
  ) 3.9 0.8 0.8 volume=1.521 peak=86 ppm1=2.069 ppm2=1.511

assign ( resid 129 and name HE#
  )
       ( resid 18 and name HA2
  or resid 18 and name HA3
  or resid 22 and name HB3
  or resid 24 and name HB2
  or resid 51 and name HB2
  or resid 73 and name HB2
  or resid 74 and name HA
  or resid 86 and name HB2
  or resid 107 and name HA
  or resid 127 and name HA
  or resid 128 and name HA3
  or resid 134 and name HB3
  or resid 134 and name HB2
  or resid 176 and name HB2
  or resid 178 and name HB3
  or resid 178 and name HB2
  or resid 210 and name HB3
  or resid 223 and name HB3
  ) 4.5 0.9 0.9 volume=0.403 peak=87 ppm1=2.070 ppm2=3.509

assign ( resid 129 and name HE#
  )
       ( resid 14 and name HA2
  or resid 14 and name HA3
  or resid 38 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 72 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 84 and name HA
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 99 and name HA2
  or resid 100 and name HA
  or resid 101 and name HA
  or resid 113 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 167 and name HA
  or resid 191 and name HA
  ) 5.1 1.0 1.0 volume=0.194 peak=88 ppm1=2.070 ppm2=3.748

assign ( resid 129 and name HE#
  )
       ( resid 17 and name H
  or resid 48 and name H
  or resid 63 and name H
  or resid 66 and name H
  or resid 86 and name H
  or resid 95 and name H
  or resid 98 and name H
  or resid 102 and name H
  or resid 111 and name H
  or resid 115 and name H
  or resid 121 and name H
  or resid 142 and name H
  or resid 161 and name H
  or resid 165 and name H
  or resid 213 and name H
  ) 4.5 0.9 0.9 volume=0.391 peak=89 ppm1=2.070 ppm2=8.674

assign ( resid 104 and name HD1#
  )
       ( resid 37 and name HE#
  or resid 47 and name H
  or resid 82 and name H
  or resid 85 and name HD#
  or resid 124 and name HE#
  or resid 140 and name HE#
  or resid 151 and name HE21
  or resid 178 and name HE3
  ) 4.5 0.9 0.9 volume=0.530 peak=90 ppm1=0.939 ppm2=6.891

assign ( resid 179 and name HD1#
  )
       ( resid 19 and name HB
  or resid 44 and name HA
  or resid 47 and name HA
  or resid 65 and name HA
  or resid 109 and name HA
  or resid 118 and name HA
  or resid 120 and name HA3
  or resid 141 and name HA
  or resid 151 and name HA
  or resid 152 and name HA
  or resid 180 and name HA
  or resid 210 and name HA
  or resid 214 and name HA
  ) 5.1 1.0 1.0 volume=0.186 peak=91 ppm1=0.787 ppm2=4.591

assign ( resid 202 and name HD2#
  )
       ( resid 19 and name HB
  or resid 44 and name HA
  or resid 47 and name HA
  or resid 109 and name HA
  or resid 151 and name HA
  or resid 152 and name HA
  or resid 180 and name HA
  or resid 210 and name HA
  or resid 214 and name HA
  ) 3.7 0.7 0.7 volume=1.290 peak=92 ppm1=1.028 ppm2=4.605

assign ( resid 179 and name HD1#
  )
       ( resid 32 and name H
  or resid 45 and name H
  or resid 85 and name H
  or resid 155 and name H
  or resid 160 and name H
  or resid 185 and name H
  or resid 207 and name H
  ) 5.3 1.1 1.1 volume=0.145 peak=93 ppm1=0.787 ppm2=9.108

assign ( resid 79 and name HG2#
  )
       ( resid 12 and name H
  or resid 15 and name H
  or resid 23 and name H
  or resid 42 and name H
  or resid 50 and name H
  or resid 60 and name H
  or resid 128 and name H
  or resid 134 and name H
  or resid 137 and name H
  or resid 139 and name H
  or resid 196 and name H
  or resid 200 and name H
  or resid 231 and name H
  ) 5.4 1.1 1.1 volume=0.130 peak=94 ppm1=1.699 ppm2=8.546

assign ( resid 137 and name HG
  or resid 159 and name HG
  )
       ( resid 9 and name HB2
  or resid 11 and name HA2
  or resid 11 and name HA3
  or resid 22 and name HB2
  or resid 37 and name HB3
  or resid 85 and name HB3
  or resid 113 and name HB3
  or resid 113 and name HB2
  or resid 123 and name HD3
  or resid 123 and name HD2
  or resid 124 and name HB3
  or resid 140 and name HB2
  or resid 152 and name HD2
  or resid 160 and name HB2
  or resid 194 and name HA
  or resid 223 and name HB2
  ) 3.1 0.6 0.6 volume=1.115 peak=95 ppm1=1.630 ppm2=3.319

assign ( resid 56 and name HG
  )
       ( resid 9 and name HB3
  or resid 24 and name HB3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 46 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 91 and name HA
  or resid 114 and name HA
  or resid 136 and name HA3
  or resid 139 and name HB3
  or resid 140 and name HA
  ) 4.3 0.9 0.9 volume=0.159 peak=96 ppm1=2.164 ppm2=3.661

assign ( resid 186 and name HB#
  )
       ( resid 28 and name HB2
  or resid 33 and name HG3
  or resid 33 and name HG2
  or resid 70 and name HB
  or resid 73 and name HB3
  or resid 75 and name HB2
  or resid 97 and name HG3
  or resid 129 and name HG3
  or resid 145 and name HG2
  or resid 145 and name HG3
  or resid 151 and name HG3
  or resid 170 and name HB3
  or resid 185 and name HB
  or resid 222 and name HG2
  ) 4.2 0.8 0.8 volume=0.580 peak=97 ppm1=1.498 ppm2=2.519

assign ( resid 204 and name HG2#
  )
       ( resid 51 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 108 and name HA
  or resid 134 and name HB3
  or resid 134 and name HB2
  or resid 168 and name HA
  or resid 176 and name HB2
  or resid 186 and name HA
  or resid 210 and name HB2
  ) 4.2 0.8 0.8 volume=0.555 peak=98 ppm1=1.814 ppm2=3.457

assign ( resid 5 and name HG2#
  )
       ( resid 9 and name HE1
  or resid 60 and name HE1
  or resid 163 and name HD1#
  or resid 200 and name HD1#
  ) 3.9 0.8 0.8 volume=1.287 peak=99 ppm1=1.908 ppm2=0.296

assign ( resid 5 and name HG2#
  )
       ( resid 4 and name HD1#
  or resid 74 and name HD1#
  or resid 89 and name HD2#
  or resid 100 and name HG2#
  or resid 141 and name HD2#
  ) 5.7 1.1 1.1 volume=0.295 peak=100 ppm1=1.907 ppm2=0.677

assign ( resid 6 and name HG2#
  )
       ( resid 10 and name HG
  or resid 16 and name HB2
  or resid 46 and name HB
  or resid 47 and name HB#
  or resid 100 and name HG12
  or resid 100 and name HB
  or resid 110 and name HB2
  or resid 117 and name HE#
  or resid 162 and name HB3
  or resid 172 and name HB#
  or resid 179 and name HB3
  or resid 211 and name HG13
  or resid 219 and name HB2
  ) 4.1 0.8 0.8 volume=0.777 peak=101 ppm1=1.426 ppm2=1.975

assign ( resid 116 and name HB#
  )
       ( resid 33 and name HG3
  or resid 33 and name HG2
  or resid 49 and name HB
  or resid 65 and name HB3
  or resid 65 and name HB2
  or resid 73 and name HB3
  or resid 75 and name HB2
  or resid 86 and name HB3
  or resid 90 and name HB3
  or resid 122 and name HG2
  or resid 170 and name HB3
  or resid 222 and name HG2
  or resid 225 and name HG2
  or resid 225 and name HG3
  ) 4.2 0.8 0.8 volume=0.624 peak=102 ppm1=1.601 ppm2=2.460

assign ( resid 131 and name HA
  or resid 149 and name HA
  )
       ( resid 13 and name HB
  or resid 16 and name HB3
  or resid 33 and name HB2
  or resid 40 and name HB3
  or resid 40 and name HG
  or resid 56 and name HG
  or resid 62 and name HB3
  or resid 78 and name HG
  or resid 90 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 135 and name HG13
  or resid 138 and name HB
  or resid 141 and name HB2
  or resid 141 and name HG
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 159 and name HB3
  or resid 168 and name HB
  or resid 180 and name HB3
  or resid 188 and name HG
  or resid 196 and name HG
  or resid 196 and name HB2
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 211 and name HB
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 3.9 0.8 0.8 volume=0.301 peak=103 ppm1=3.996 ppm2=2.122

assign ( resid 82 and name HD2#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 3.5 0.7 0.7 volume=2.723 peak=104 ppm1=1.091 ppm2=1.411

assign ( resid 46 and name HA
  )
       ( resid 6 and name HG2#
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 78 and name HB2
  or resid 89 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 135 and name HG12
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  ) 4.4 0.9 0.9 volume=0.268 peak=105 ppm1=3.636 ppm2=1.439

assign ( resid 58 and name HB
  or resid 77 and name HG13
  or resid 101 and name HB
  )
       ( resid 9 and name HD1
  or resid 24 and name HD1
  or resid 24 and name HH2
  or resid 27 and name H
  or resid 29 and name H
  or resid 37 and name HD#
  or resid 86 and name HD#
  or resid 98 and name HD#
  or resid 117 and name H
  or resid 134 and name HD#
  or resid 171 and name HZ2
  or resid 176 and name HZ
  ) 4.4 0.9 0.9 volume=0.172 peak=106 ppm1=2.055 ppm2=7.318

assign ( resid 185 and name HA
  )
       ( resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 56 and name HD2#
  or resid 61 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 68 and name HG2#
  or resid 77 and name HG12
  or resid 82 and name HD1#
  or resid 82 and name HD2#
  or resid 84 and name HG2#
  or resid 87 and name HD1#
  or resid 87 and name HD2#
  or resid 100 and name HD1#
  or resid 101 and name HG1#
  or resid 101 and name HG2#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 142 and name HG1#
  or resid 142 and name HG2#
  or resid 149 and name HB#
  or resid 156 and name HG2#
  or resid 159 and name HD1#
  or resid 161 and name HG2#
  or resid 166 and name HD2#
  or resid 168 and name HG1#
  or resid 168 and name HG2#
  or resid 169 and name HG1#
  or resid 170 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 187 and name HD2#
  or resid 187 and name HD1#
  or resid 188 and name HD1#
  or resid 197 and name HD1#
  or resid 202 and name HD2#
  or resid 203 and name HG2#
  or resid 206 and name HG1#
  or resid 213 and name HD1#
  or resid 213 and name HD2#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 230 and name HG1#
  or resid 230 and name HG2#
  or resid 237 and name HG1#
  or resid 237 and name HG2#
  or resid 240 and name HD2#
  ) 4.2 0.8 0.8 volume=0.585 peak=107 ppm1=4.299 ppm2=1.050

assign ( resid 110 and name HD1#
  )
       ( resid 65 and name HA
  or resid 67 and name HA
  or resid 78 and name HA
  or resid 81 and name HA
  or resid 103 and name HB
  or resid 106 and name HB
  or resid 109 and name HA
  or resid 118 and name HA
  or resid 120 and name HA3
  or resid 141 and name HA
  or resid 151 and name HA
  or resid 170 and name HA
  or resid 225 and name HA
  or resid 227 and name HA
  or resid 228 and name HA
  or resid 232 and name HA
  or resid 236 and name HA
  ) 4.2 0.8 0.8 volume=0.581 peak=108 ppm1=0.954 ppm2=4.522

assign ( resid 213 and name HD1#
  )
       ( resid 4 and name HA
  or resid 13 and name HA
  or resid 38 and name HA
  or resid 45 and name HA3
  or resid 50 and name HA
  or resid 84 and name HA
  or resid 99 and name HA2
  or resid 101 and name HA
  or resid 113 and name HA
  or resid 156 and name HA
  or resid 167 and name HA
  or resid 169 and name HA
  or resid 177 and name HA
  or resid 191 and name HA
  or resid 197 and name HA
  or resid 200 and name HA
  or resid 207 and name HA3
  or resid 208 and name HA
  or resid 211 and name HA
  ) 4.1 0.8 0.8 volume=0.651 peak=109 ppm1=1.093 ppm2=3.823

assign ( resid 13 and name HB
  )
       ( resid 12 and name H
  or resid 15 and name H
  or resid 35 and name H
  or resid 42 and name H
  or resid 50 and name H
  or resid 60 and name H
  or resid 77 and name H
  or resid 94 and name H
  or resid 134 and name H
  or resid 137 and name H
  or resid 196 and name H
  or resid 200 and name H
  or resid 202 and name H
  or resid 211 and name H
  or resid 231 and name H
  ) 4.3 0.9 0.9 volume=0.161 peak=110 ppm1=2.136 ppm2=8.517

assign ( resid 13 and name HG12
  )
       ( resid 4 and name HG
  or resid 12 and name HB#
  or resid 27 and name HB2
  or resid 39 and name HG2#
  or resid 72 and name HG3
  or resid 72 and name HG2
  or resid 74 and name HB
  or resid 93 and name HG
  or resid 102 and name HG12
  or resid 179 and name HB2
  or resid 179 and name HG
  or resid 180 and name HB2
  or resid 187 and name HG
  or resid 187 and name HB3
  or resid 187 and name HB2
  or resid 197 and name HG13
  or resid 204 and name HG2#
  or resid 227 and name HB3
  or resid 227 and name HB2
  or resid 227 and name HG
  or resid 240 and name HG
  or resid 240 and name HB2
  or resid 240 and name HB3
  ) 4.1 0.8 0.8 volume=0.263 peak=111 ppm1=1.360 ppm2=1.790

assign ( resid 211 and name HG13
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  ) 3.5 0.7 0.7 volume=1.000 peak=112 ppm1=1.952 ppm2=1.427

assign ( resid 194 and name HB
  )
       ( resid 49 and name HG1#
  or resid 54 and name HE#
  or resid 74 and name HG12
  or resid 89 and name HG
  or resid 91 and name HB#
  or resid 103 and name HG2#
  or resid 121 and name HD1#
  or resid 131 and name HB#
  or resid 137 and name HD1#
  or resid 137 and name HD2#
  or resid 141 and name HB3
  or resid 156 and name HG12
  or resid 166 and name HD1#
  or resid 169 and name HG2#
  or resid 177 and name HG2#
  or resid 185 and name HG1#
  or resid 191 and name HG2#
  or resid 211 and name HG12
  ) 5.3 1.1 1.1 volume=0.092 peak=113 ppm1=1.872 ppm2=1.235

assign ( resid 222 and name HB3
  or resid 222 and name HB2
  )
       ( resid 4 and name HB3
  or resid 13 and name HG12
  or resid 70 and name HG1#
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 106 and name HG2#
  or resid 146 and name HG2#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 218 and name HG2#
  or resid 232 and name HG2#
  or resid 234 and name HG2#
  ) 3.6 0.7 0.7 volume=0.719 peak=114 ppm1=2.152 ppm2=1.367

assign ( resid 58 and name HB
  or resid 77 and name HG13
  or resid 101 and name HB
  or resid 138 and name HB
  )
       ( resid 74 and name HD1#
  or resid 93 and name HD1#
  or resid 93 and name HD2#
  or resid 100 and name HG2#
  or resid 108 and name HG1#
  or resid 177 and name HD1#
  ) 4.1 0.8 0.8 volume=0.641 peak=115 ppm1=2.055 ppm2=0.734

assign ( resid 222 and name HB3
  or resid 222 and name HB2
  )
       ( resid 43 and name HD1#
  or resid 63 and name HG1#
  or resid 77 and name HD1#
  or resid 83 and name HG2#
  or resid 93 and name HD1#
  or resid 93 and name HB3
  or resid 179 and name HD1#
  or resid 194 and name HG2#
  or resid 200 and name HD2#
  or resid 211 and name HG2#
  or resid 219 and name HD1#
  or resid 219 and name HD2#
  ) 3.9 0.8 0.8 volume=0.789 peak=116 ppm1=2.152 ppm2=0.821

assign ( resid 74 and name HD1#
  )
       ( resid 2 and name H
  or resid 4 and name H
  or resid 11 and name H
  or resid 21 and name H
  or resid 57 and name H
  or resid 67 and name H
  or resid 69 and name H
  or resid 76 and name H
  or resid 103 and name H
  or resid 113 and name H
  or resid 148 and name H
  or resid 179 and name H
  or resid 194 and name H
  or resid 222 and name H
  or resid 232 and name H
  or resid 234 and name H
  or resid 240 and name H
  ) 5.6 1.1 1.1 volume=0.100 peak=117 ppm1=0.701 ppm2=8.132

assign ( resid 74 and name HD1#
  )
       ( resid 2 and name HA
  or resid 3 and name HA3
  or resid 5 and name HA
  or resid 24 and name HA
  or resid 29 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 76 and name HA
  or resid 79 and name HA
  or resid 80 and name HA
  or resid 83 and name HA
  or resid 95 and name HA
  or resid 123 and name HA
  or resid 125 and name HA
  or resid 134 and name HA
  or resid 165 and name HA
  or resid 176 and name HA
  or resid 222 and name HA
  or resid 230 and name HA
  or resid 240 and name HA
  or resid 241 and name HA
  ) 5.6 1.1 1.1 volume=0.105 peak=118 ppm1=0.701 ppm2=4.360

assign ( resid 177 and name HD1#
  )
       ( resid 12 and name H
  or resid 15 and name H
  or resid 35 and name H
  or resid 50 and name H
  or resid 60 and name H
  or resid 77 and name H
  or resid 94 and name H
  or resid 134 and name H
  or resid 137 and name H
  or resid 196 and name H
  or resid 200 and name H
  or resid 202 and name H
  or resid 211 and name H
  or resid 231 and name H
  ) 4.6 0.9 0.9 volume=0.350 peak=119 ppm1=0.758 ppm2=8.517

assign ( resid 43 and name HD1#
  )
       ( resid 6 and name HB
  or resid 15 and name HA
  or resid 81 and name HA
  or resid 82 and name HA
  or resid 87 and name HA
  or resid 103 and name HB
  or resid 106 and name HB
  or resid 146 and name HB
  or resid 187 and name HA
  or resid 215 and name HA
  or resid 218 and name HB
  or resid 221 and name HA
  or resid 227 and name HA
  or resid 228 and name HA
  or resid 232 and name HB
  or resid 232 and name HA
  or resid 236 and name HA
  or resid 238 and name HA
  ) 5.2 1.0 1.0 volume=0.156 peak=120 ppm1=0.862 ppm2=4.464

assign ( resid 77 and name HB
  )
       ( resid 6 and name HG2#
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 78 and name HB2
  or resid 89 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 135 and name HG12
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  ) 4.5 0.9 0.9 volume=0.233 peak=121 ppm1=2.051 ppm2=1.434

assign ( resid 43 and name HB
  or resid 77 and name HB
  or resid 100 and name HB
  )
       ( resid 15 and name HE#
  or resid 61 and name HB
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 68 and name HB
  or resid 126 and name HB3
  or resid 169 and name HB
  or resid 170 and name HG
  or resid 177 and name HB
  or resid 180 and name HG
  or resid 192 and name HB
  or resid 225 and name HB3
  or resid 237 and name HB
  ) 4.4 0.9 0.9 volume=0.164 peak=122 ppm1=2.034 ppm2=2.224

assign ( resid 58 and name HB
  or resid 77 and name HG13
  or resid 101 and name HB
  or resid 138 and name HB
  )
       ( resid 37 and name HE#
  or resid 47 and name H
  or resid 82 and name H
  or resid 85 and name HD#
  or resid 124 and name HE#
  or resid 140 and name HE#
  or resid 151 and name HE21
  or resid 178 and name HE3
  ) 4.5 0.9 0.9 volume=0.164 peak=123 ppm1=2.056 ppm2=6.887

assign ( resid 77 and name HG12
  )
       ( resid 7 and name H
  or resid 40 and name H
  or resid 60 and name HH2
  or resid 60 and name HZ3
  or resid 98 and name HE#
  or resid 109 and name H
  or resid 134 and name HE#
  or resid 151 and name H
  or resid 152 and name H
  or resid 166 and name H
  or resid 169 and name H
  or resid 171 and name HE3
  or resid 171 and name HH2
  or resid 171 and name HD1
  or resid 174 and name H
  or resid 176 and name H
  or resid 199 and name H
  or resid 208 and name H
  or resid 210 and name HD#
  ) 4.6 0.9 0.9 volume=0.119 peak=124 ppm1=1.085 ppm2=7.533

assign ( resid 77 and name HG12
  )
       ( resid 8 and name HD#
  or resid 9 and name HH2
  or resid 22 and name HE#
  or resid 24 and name HZ3
  or resid 51 and name HE#
  or resid 60 and name HD1
  or resid 113 and name HE#
  or resid 140 and name HD#
  or resid 146 and name H
  or resid 165 and name HD22
  or resid 174 and name HD#
  or resid 184 and name H
  ) 4.9 1.0 1.0 volume=0.103 peak=125 ppm1=1.089 ppm2=7.139

assign ( resid 133 and name HB#
  )
       ( resid 9 and name HD1
  or resid 24 and name HD1
  or resid 24 and name HH2
  or resid 29 and name H
  or resid 98 and name HZ
  or resid 98 and name HD#
  or resid 117 and name H
  or resid 134 and name HD#
  or resid 171 and name HZ2
  or resid 176 and name HZ
  or resid 178 and name HZ2
  or resid 192 and name H
  or resid 210 and name HE#
  ) 4.7 0.9 0.9 volume=0.324 peak=126 ppm1=1.645 ppm2=7.285

assign ( resid 146 and name HA
  )
       ( resid 13 and name HB
  or resid 16 and name HB3
  or resid 56 and name HG
  or resid 62 and name HB3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 90 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 141 and name HB2
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 159 and name HB3
  or resid 168 and name HB
  or resid 180 and name HB3
  or resid 180 and name HG
  or resid 196 and name HB2
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 4.3 0.9 0.9 volume=0.172 peak=127 ppm1=4.069 ppm2=2.140

assign ( resid 102 and name HD1#
  )
       ( resid 85 and name HE#
  or resid 127 and name HD#
  or resid 178 and name HZ3
  ) 5.2 1.0 1.0 volume=0.236 peak=128 ppm1=1.029 ppm2=6.464

assign ( resid 102 and name HG2#
  or resid 135 and name HG2#
  )
       ( resid 9 and name HZ3
  or resid 47 and name H
  or resid 82 and name H
  or resid 85 and name HD#
  or resid 139 and name HD#
  ) 5.1 1.0 1.0 volume=0.233 peak=129 ppm1=1.029 ppm2=6.936

assign ( resid 102 and name HG12
  )
       ( resid 28 and name H
  or resid 60 and name HE3
  or resid 90 and name H
  or resid 100 and name H
  or resid 150 and name H
  or resid 167 and name H
  or resid 170 and name H
  or resid 173 and name H
  or resid 177 and name H
  or resid 206 and name H
  or resid 221 and name H
  ) 4.2 0.8 0.8 volume=0.190 peak=130 ppm1=1.771 ppm2=7.879

assign ( resid 102 and name HB
  or resid 156 and name HB
  )
       ( resid 26 and name H
  or resid 58 and name H
  or resid 76 and name HZ2
  or resid 90 and name H
  or resid 101 and name H
  or resid 108 and name H
  or resid 173 and name H
  or resid 189 and name H
  or resid 191 and name H
  or resid 206 and name H
  or resid 212 and name H
  ) 4.3 0.9 0.9 volume=0.177 peak=131 ppm1=2.167 ppm2=7.805

assign ( resid 58 and name HA
  )
       ( resid 1 and name HE#
  or resid 2 and name HB
  or resid 38 and name HB
  or resid 53 and name HB
  or resid 62 and name HB2
  or resid 78 and name HB3
  or resid 82 and name HG
  or resid 84 and name HB
  or resid 118 and name HB
  or resid 121 and name HB
  or resid 132 and name HB
  or resid 135 and name HB
  or resid 147 and name HG2
  or resid 147 and name HG3
  or resid 161 and name HB
  or resid 173 and name HB
  or resid 173 and name HG13
  or resid 197 and name HB
  or resid 198 and name HB
  or resid 202 and name HB3
  or resid 203 and name HB
  or resid 222 and name HG3
  or resid 241 and name HG2
  or resid 241 and name HG3
  ) 4.2 0.8 0.8 volume=0.204 peak=132 ppm1=3.992 ppm2=2.326

assign ( resid 121 and name HD1#
  )
       ( resid 13 and name HB
  or resid 16 and name HB3
  or resid 56 and name HG
  or resid 62 and name HB3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 90 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 141 and name HB2
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 159 and name HB3
  or resid 168 and name HB
  or resid 180 and name HB3
  or resid 180 and name HG
  or resid 196 and name HB2
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 4.5 0.9 0.9 volume=0.390 peak=133 ppm1=1.204 ppm2=2.140

assign ( resid 121 and name HD1#
  )
       ( resid 65 and name HA
  or resid 67 and name HA
  or resid 78 and name HA
  or resid 106 and name HB
  or resid 109 and name HA
  or resid 118 and name HA
  or resid 120 and name HA3
  or resid 141 and name HA
  or resid 151 and name HA
  or resid 170 and name HA
  or resid 210 and name HA
  or resid 214 and name HA
  or resid 225 and name HA
  ) 4.4 0.9 0.9 volume=0.425 peak=134 ppm1=1.203 ppm2=4.550

assign ( resid 83 and name HD1#
  )
       ( resid 6 and name HG2#
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 78 and name HB2
  or resid 89 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 135 and name HG12
  or resid 206 and name HG2#
  or resid 212 and name HB#
  ) 5.3 1.1 1.1 volume=0.265 peak=135 ppm1=1.120 ppm2=1.440

assign ( resid 121 and name HG2#
  )
       ( resid 9 and name HB2
  or resid 11 and name HA2
  or resid 11 and name HA3
  or resid 22 and name HB2
  or resid 85 and name HB3
  or resid 98 and name HB3
  or resid 113 and name HB3
  or resid 113 and name HB2
  or resid 123 and name HD3
  or resid 123 and name HD2
  or resid 138 and name HA
  or resid 140 and name HB2
  or resid 143 and name HA3
  or resid 152 and name HD2
  or resid 194 and name HA
  or resid 199 and name HB3
  or resid 210 and name HB2
  or resid 220 and name HD2
  or resid 220 and name HD3
  or resid 223 and name HB2
  ) 5.1 1.0 1.0 volume=0.187 peak=136 ppm1=1.290 ppm2=3.369

assign ( resid 121 and name HG2#
  )
       ( resid 33 and name HG3
  or resid 33 and name HG2
  or resid 49 and name HB
  or resid 73 and name HB3
  or resid 75 and name HB2
  or resid 86 and name HB3
  or resid 90 and name HB3
  or resid 97 and name HG3
  or resid 122 and name HG2
  or resid 129 and name HG3
  or resid 145 and name HG2
  or resid 145 and name HG3
  or resid 170 and name HB3
  or resid 222 and name HG2
  or resid 225 and name HG2
  or resid 225 and name HG3
  ) 4.0 0.8 0.8 volume=0.766 peak=137 ppm1=1.291 ppm2=2.478

assign ( resid 121 and name HB
  )
       ( resid 18 and name H
  or resid 44 and name H
  or resid 83 and name H
  or resid 116 and name H
  or resid 120 and name H
  or resid 125 and name H
  or resid 133 and name H
  or resid 136 and name H
  or resid 149 and name H
  or resid 153 and name H
  or resid 187 and name H
  or resid 188 and name H
  or resid 215 and name H
  or resid 218 and name H
  or resid 220 and name H
  or resid 230 and name H
  or resid 237 and name H
  ) 4.8 1.0 1.0 volume=0.092 peak=138 ppm1=2.311 ppm2=7.985

assign ( resid 121 and name HB
  )
       ( resid 65 and name HA
  or resid 67 and name HA
  or resid 78 and name HA
  or resid 109 and name HA
  or resid 118 and name HA
  or resid 120 and name HA3
  or resid 141 and name HA
  or resid 151 and name HA
  or resid 170 and name HA
  or resid 210 and name HA
  or resid 214 and name HA
  or resid 225 and name HA
  ) 4.5 0.9 0.9 volume=0.126 peak=139 ppm1=2.312 ppm2=4.554

assign ( resid 135 and name HG12
  )
       ( resid 9 and name HD1
  or resid 24 and name HH2
  or resid 27 and name H
  or resid 29 and name H
  or resid 37 and name HD#
  or resid 86 and name HD#
  or resid 98 and name HD#
  or resid 117 and name H
  or resid 118 and name H
  or resid 134 and name HD#
  or resid 171 and name HZ2
  or resid 176 and name HZ
  ) 4.6 0.9 0.9 volume=0.137 peak=140 ppm1=1.493 ppm2=7.325

assign ( resid 135 and name HG12
  )
       ( resid 27 and name HA
  or resid 39 and name HA
  or resid 45 and name HA2
  or resid 58 and name HA
  or resid 64 and name HA
  or resid 68 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 166 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  ) 4.6 0.9 0.9 volume=0.113 peak=141 ppm1=1.495 ppm2=4.003

assign ( resid 135 and name HG13
  )
       ( resid 9 and name HD1
  or resid 24 and name HD1
  or resid 24 and name HH2
  or resid 27 and name H
  or resid 29 and name H
  or resid 37 and name HD#
  or resid 86 and name HD#
  or resid 98 and name HD#
  or resid 117 and name H
  or resid 134 and name HD#
  or resid 171 and name HZ2
  or resid 176 and name HZ
  ) 4.7 0.9 0.9 volume=0.115 peak=142 ppm1=2.079 ppm2=7.318

assign ( resid 147 and name HB3
  or resid 147 and name HB2
  )
       ( resid 3 and name HA2
  or resid 7 and name HA
  or resid 16 and name HA
  or resid 20 and name HA
  or resid 25 and name HA
  or resid 30 and name HA3
  or resid 30 and name HA2
  or resid 36 and name HA
  or resid 41 and name HA
  or resid 55 and name HA
  or resid 63 and name HA
  or resid 68 and name HA
  or resid 95 and name HB3
  or resid 95 and name HB2
  or resid 99 and name HA3
  or resid 116 and name HA
  or resid 129 and name HA
  or resid 133 and name HA
  or resid 139 and name HA
  or resid 146 and name HA
  or resid 158 and name HB3
  or resid 158 and name HB2
  or resid 162 and name HA
  or resid 163 and name HA
  or resid 167 and name HB
  or resid 184 and name HA3
  or resid 191 and name HB
  or resid 196 and name HA
  or resid 199 and name HA
  or resid 212 and name HA
  or resid 213 and name HA
  or resid 216 and name HA
  or resid 226 and name HB3
  or resid 226 and name HB2
  or resid 229 and name HA2
  or resid 229 and name HA3
  ) 3.2 0.6 0.6 volume=1.048 peak=143 ppm1=2.154 ppm2=4.098

assign ( resid 147 and name HB3
  or resid 147 and name HB2
  )
       ( resid 13 and name HA
  or resid 42 and name HA3
  or resid 51 and name HA
  or resid 103 and name HA
  or resid 145 and name HA
  or resid 156 and name HA
  or resid 160 and name HA
  or resid 177 and name HA
  or resid 197 and name HA
  or resid 200 and name HA
  or resid 207 and name HA3
  or resid 208 and name HA
  or resid 211 and name HA
  ) 4.3 0.9 0.9 volume=0.162 peak=144 ppm1=2.160 ppm2=3.861

assign ( resid 13 and name HG13
  )
       ( resid 2 and name HG1#
  or resid 2 and name HG2#
  or resid 7 and name HB3
  or resid 17 and name HG1#
  or resid 38 and name HG1#
  or resid 41 and name HG1#
  or resid 49 and name HG1#
  or resid 53 and name HG2#
  or resid 70 and name HG2#
  or resid 74 and name HG12
  or resid 83 and name HD1#
  or resid 100 and name HG13
  or resid 107 and name HG2#
  or resid 118 and name HG1#
  or resid 118 and name HG2#
  or resid 121 and name HD1#
  or resid 131 and name HB#
  or resid 132 and name HG1#
  or resid 137 and name HD2#
  or resid 141 and name HB3
  or resid 166 and name HD1#
  or resid 170 and name HD2#
  or resid 177 and name HG2#
  or resid 192 and name HG1#
  or resid 192 and name HG2#
  or resid 198 and name HG2#
  ) 4.3 0.9 0.9 volume=0.379 peak=145 ppm1=2.066 ppm2=1.163

assign ( resid 197 and name HB
  )
       ( resid 37 and name H
  or resid 56 and name H
  or resid 76 and name HH2
  or resid 93 and name H
  or resid 124 and name HD#
  or resid 134 and name HZ
  or resid 151 and name HE22
  or resid 176 and name HE#
  or resid 223 and name HD2
  ) 4.4 0.9 0.9 volume=0.165 peak=146 ppm1=2.347 ppm2=7.421

assign ( resid 173 and name HG2#
  )
       ( resid 9 and name HZ3
  or resid 86 and name HE#
  or resid 113 and name HD#
  or resid 139 and name HD#
  or resid 199 and name HD#
  or resid 208 and name HD#
  ) 5.5 1.1 1.1 volume=0.204 peak=147 ppm1=0.994 ppm2=6.994

assign ( resid 149 and name HB#
  or resid 156 and name HG2#
  )
       ( resid 19 and name HB
  or resid 44 and name HA
  or resid 47 and name HA
  or resid 85 and name HA
  or resid 117 and name HA
  or resid 152 and name HA
  or resid 180 and name HA
  or resid 204 and name HB
  or resid 210 and name HA
  ) 5.0 1.0 1.0 volume=0.208 peak=148 ppm1=1.086 ppm2=4.632

assign ( resid 102 and name HG2#
  or resid 135 and name HG2#
  )
       ( resid 31 and name HA
  or resid 85 and name HA
  or resid 117 and name HA
  or resid 152 and name HA
  or resid 189 and name HA
  or resid 204 and name HB
  or resid 234 and name HA
  ) 5.1 1.0 1.0 volume=0.181 peak=149 ppm1=1.019 ppm2=4.684

assign ( resid 82 and name HG
  )
       ( resid 23 and name HB#
  or resid 27 and name HB2
  or resid 39 and name HG2#
  or resid 46 and name HG12
  or resid 79 and name HG2#
  or resid 96 and name HB3
  or resid 102 and name HG12
  or resid 121 and name HG13
  or resid 125 and name HB#
  or resid 156 and name HG13
  or resid 197 and name HG13
  or resid 217 and name HB#
  or resid 227 and name HB3
  or resid 227 and name HB2
  or resid 227 and name HG
  or resid 240 and name HG
  or resid 240 and name HB2
  or resid 240 and name HB3
  ) 3.5 0.7 0.7 volume=0.710 peak=150 ppm1=2.296 ppm2=1.739

assign ( resid 173 and name HA
  )
       ( resid 6 and name HB
  or resid 65 and name HA
  or resid 67 and name HA
  or resid 78 and name HA
  or resid 81 and name HA
  or resid 103 and name HB
  or resid 106 and name HB
  or resid 118 and name HA
  or resid 120 and name HA3
  or resid 141 and name HA
  or resid 151 and name HA
  or resid 170 and name HA
  or resid 187 and name HA
  or resid 225 and name HA
  or resid 227 and name HA
  or resid 228 and name HA
  or resid 232 and name HA
  or resid 236 and name HA
  or resid 238 and name HA
  ) 4.2 0.8 0.8 volume=0.194 peak=151 ppm1=4.149 ppm2=4.513

assign ( resid 177 and name HG2#
  )
       ( resid 26 and name HA2
  or resid 37 and name HB2
  or resid 66 and name HD3
  or resid 139 and name HB2
  or resid 176 and name HB3
  or resid 199 and name HB2
  ) 5.0 1.0 1.0 volume=0.211 peak=152 ppm1=1.202 ppm2=3.114

assign ( resid 177 and name HB
  )
       ( resid 3 and name HA2
  or resid 10 and name HA
  or resid 12 and name HA
  or resid 23 and name HA
  or resid 30 and name HA3
  or resid 30 and name HA2
  or resid 40 and name HA
  or resid 79 and name HB
  or resid 90 and name HA
  or resid 93 and name HA
  or resid 95 and name HB3
  or resid 95 and name HB2
  or resid 124 and name HA
  or resid 126 and name HA
  or resid 158 and name HB2
  or resid 162 and name HA
  or resid 172 and name HA
  or resid 173 and name HA
  or resid 179 and name HA
  or resid 181 and name HA3
  or resid 181 and name HA2
  or resid 198 and name HA
  or resid 201 and name HA
  or resid 202 and name HA
  or resid 204 and name HA
  or resid 212 and name HA
  or resid 224 and name HA2
  or resid 224 and name HA3
  or resid 237 and name HA
  ) 4.4 0.9 0.9 volume=0.140 peak=153 ppm1=2.214 ppm2=4.183

assign ( resid 135 and name HB
  or resid 197 and name HB
  )
       ( resid 27 and name HG3
  or resid 48 and name HB#
  or resid 52 and name HB#
  or resid 64 and name HB#
  or resid 90 and name HB2
  or resid 102 and name HG13
  or resid 104 and name HB3
  or resid 116 and name HB#
  or resid 133 and name HB#
  or resid 137 and name HG
  or resid 159 and name HB2
  or resid 159 and name HG
  or resid 163 and name HB3
  or resid 163 and name HG
  or resid 177 and name HG12
  or resid 189 and name HG2#
  or resid 197 and name HG12
  or resid 200 and name HB3
  or resid 215 and name HB#
  or resid 216 and name HB#
  or resid 219 and name HB3
  or resid 221 and name HB#
  ) 3.3 0.7 0.7 volume=1.090 peak=154 ppm1=2.374 ppm2=1.645

assign ( resid 211 and name HD1#
  )
       ( resid 61 and name H
  or resid 85 and name H
  or resid 185 and name H
  or resid 207 and name H
  or resid 210 and name H
  ) 5.2 1.0 1.0 volume=0.158 peak=155 ppm1=0.916 ppm2=9.154

assign ( resid 211 and name HD1#
  )
       ( resid 28 and name HB3
  or resid 214 and name HB3
  or resid 214 and name HB2
  or resid 231 and name HB2
  or resid 233 and name HB3
  or resid 233 and name HB2
  or resid 239 and name HB2
  ) 5.6 1.1 1.1 volume=0.106 peak=156 ppm1=0.910 ppm2=2.833

assign ( resid 211 and name HD1#
  )
       ( resid 40 and name HD2#
  or resid 80 and name HG2#
  or resid 122 and name H
  or resid 138 and name HG1#
  or resid 163 and name HD2#
  ) 5.3 1.1 1.1 volume=0.297 peak=157 ppm1=0.911 ppm2=0.484

assign ( resid 83 and name HG2#
  )
       ( resid 31 and name HA
  or resid 44 and name HA
  or resid 47 and name HA
  or resid 85 and name HA
  or resid 117 and name HA
  or resid 152 and name HA
  or resid 189 and name HA
  or resid 204 and name HB
  or resid 234 and name HA
  ) 5.4 1.1 1.1 volume=0.132 peak=158 ppm1=0.869 ppm2=4.669

assign ( resid 222 and name HB3
  or resid 222 and name HB2
  )
       ( resid 37 and name H
  or resid 56 and name H
  or resid 76 and name HH2
  or resid 93 and name H
  or resid 118 and name H
  or resid 124 and name HD#
  or resid 134 and name HZ
  or resid 151 and name HE22
  or resid 176 and name HE#
  or resid 223 and name HD2
  ) 3.6 0.7 0.7 volume=0.535 peak=159 ppm1=2.154 ppm2=7.421

assign ( resid 46 and name HG2#
  )
       ( resid 79 and name H
  or resid 174 and name HH
  ) 5.6 1.1 1.1 volume=0.103 peak=160 ppm1=0.940 ppm2=-0.047

assign ( resid 5 and name HB
  )
       ( resid 7 and name H
  or resid 9 and name HZ2
  or resid 40 and name H
  or resid 60 and name HH2
  or resid 60 and name HZ3
  or resid 98 and name HE#
  or resid 134 and name HE#
  or resid 166 and name H
  or resid 169 and name H
  or resid 171 and name HE3
  or resid 171 and name HH2
  or resid 171 and name HD1
  or resid 174 and name H
  or resid 199 and name H
  or resid 208 and name H
  ) 4.0 0.8 0.8 volume=0.270 peak=161 ppm1=4.822 ppm2=7.500

assign ( resid 5 and name HB
  )
       ( resid 3 and name HA2
  or resid 7 and name HA
  or resid 10 and name HA
  or resid 16 and name HA
  or resid 20 and name HA
  or resid 30 and name HA3
  or resid 30 and name HA2
  or resid 36 and name HA
  or resid 40 and name HA
  or resid 41 and name HA
  or resid 55 and name HA
  or resid 90 and name HA
  or resid 93 and name HA
  or resid 95 and name HB3
  or resid 95 and name HB2
  or resid 99 and name HA3
  or resid 116 and name HA
  or resid 124 and name HA
  or resid 126 and name HA
  or resid 129 and name HA
  or resid 139 and name HA
  or resid 158 and name HB3
  or resid 158 and name HB2
  or resid 162 and name HA
  or resid 163 and name HA
  or resid 167 and name HB
  or resid 173 and name HA
  or resid 184 and name HA3
  or resid 191 and name HB
  or resid 196 and name HA
  or resid 199 and name HA
  or resid 204 and name HA
  or resid 212 and name HA
  or resid 213 and name HA
  or resid 224 and name HA2
  or resid 224 and name HA3
  or resid 229 and name HA2
  or resid 229 and name HA3
  ) 4.5 0.9 0.9 volume=0.126 peak=162 ppm1=4.846 ppm2=4.128

assign ( resid 6 and name HA
  )
       ( resid 5 and name H
  or resid 19 and name H
  or resid 53 and name H
  or resid 55 and name H
  or resid 77 and name H
  or resid 94 and name H
  or resid 96 and name H
  or resid 141 and name H
  or resid 180 and name H
  or resid 203 and name H
  or resid 211 and name H
  or resid 214 and name H
  or resid 225 and name H
  or resid 226 and name H
  or resid 233 and name H
  ) 4.4 0.9 0.9 volume=0.157 peak=163 ppm1=4.302 ppm2=8.439

assign ( resid 5 and name HA
  )
       ( resid 53 and name HG2#
  or resid 56 and name HD2#
  or resid 61 and name HG1#
  or resid 77 and name HG12
  or resid 82 and name HD2#
  or resid 83 and name HD1#
  or resid 84 and name HG2#
  or resid 90 and name HD1#
  or resid 100 and name HG13
  or resid 100 and name HD1#
  or resid 101 and name HG1#
  or resid 101 and name HG2#
  or resid 107 and name HG2#
  or resid 118 and name HG1#
  or resid 118 and name HG2#
  or resid 142 and name HG2#
  or resid 149 and name HB#
  or resid 156 and name HG2#
  or resid 161 and name HG2#
  or resid 168 and name HG1#
  or resid 169 and name HG1#
  or resid 170 and name HD1#
  or resid 187 and name HD2#
  or resid 187 and name HD1#
  or resid 192 and name HG1#
  or resid 192 and name HG2#
  or resid 197 and name HD1#
  or resid 198 and name HG2#
  or resid 213 and name HD1#
  or resid 213 and name HD2#
  or resid 230 and name HG1#
  or resid 230 and name HG2#
  or resid 237 and name HG1#
  or resid 237 and name HG2#
  ) 5.1 1.0 1.0 volume=0.172 peak=164 ppm1=4.346 ppm2=1.105

assign ( resid 7 and name HD1#
  or resid 196 and name HD1#
  )
       ( resid 8 and name HE#
  or resid 36 and name HD#
  or resid 69 and name HZ
  or resid 69 and name HD#
  or resid 86 and name HZ
  or resid 139 and name HE#
  or resid 199 and name HE#
  ) 5.2 1.0 1.0 volume=0.266 peak=165 ppm1=0.868 ppm2=6.692

assign ( resid 7 and name HD1#
  or resid 196 and name HD1#
  )
       ( resid 86 and name HE#
  or resid 113 and name HD#
  or resid 139 and name HD#
  or resid 160 and name HD#
  or resid 199 and name HD#
  or resid 208 and name HD#
  ) 4.8 1.0 1.0 volume=0.499 peak=166 ppm1=0.869 ppm2=7.001

assign ( resid 10 and name HB3
  )
       ( resid 9 and name H
  or resid 22 and name H
  or resid 24 and name H
  or resid 25 and name H
  or resid 31 and name H
  or resid 38 and name H
  or resid 70 and name H
  or resid 131 and name H
  or resid 138 and name H
  or resid 145 and name H
  or resid 168 and name H
  or resid 198 and name H
  ) 4.3 0.9 0.9 volume=0.176 peak=167 ppm1=2.056 ppm2=8.774

assign ( resid 10 and name HG
  )
       ( resid 12 and name H
  or resid 15 and name H
  or resid 23 and name H
  or resid 42 and name H
  or resid 50 and name H
  or resid 60 and name H
  or resid 65 and name H
  or resid 128 and name H
  or resid 134 and name H
  or resid 137 and name H
  or resid 139 and name H
  or resid 196 and name H
  or resid 200 and name H
  ) 4.5 0.9 0.9 volume=0.135 peak=168 ppm1=1.977 ppm2=8.558

assign ( resid 10 and name HG
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 3.5 0.7 0.7 volume=1.014 peak=169 ppm1=1.970 ppm2=1.414

assign ( resid 12 and name HB#
  )
       ( resid 9 and name H
  or resid 14 and name H
  or resid 24 and name H
  or resid 25 and name H
  or resid 38 and name H
  or resid 70 and name H
  or resid 145 and name H
  or resid 168 and name H
  ) 4.8 1.0 1.0 volume=0.276 peak=170 ppm1=1.807 ppm2=8.808

assign ( resid 133 and name HA
  or resid 216 and name HA
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 3.5 0.7 0.7 volume=1.007 peak=171 ppm1=4.061 ppm2=1.413

assign ( resid 12 and name HB#
  )
       ( resid 8 and name HD#
  or resid 9 and name HH2
  or resid 22 and name HE#
  or resid 51 and name HE#
  or resid 60 and name HD1
  or resid 73 and name HD#
  or resid 76 and name HD1
  or resid 146 and name H
  or resid 174 and name HD#
  or resid 210 and name HZ
  ) 5.2 1.0 1.0 volume=0.211 peak=172 ppm1=1.809 ppm2=7.105

assign ( resid 204 and name HG2#
  )
       ( resid 4 and name HD2#
  or resid 7 and name HD2#
  or resid 13 and name HD1#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 46 and name HG2#
  or resid 46 and name HD1#
  or resid 58 and name HG1#
  or resid 58 and name HG2#
  or resid 78 and name HD1#
  or resid 90 and name HD2#
  or resid 104 and name HD1#
  or resid 107 and name HG1#
  or resid 110 and name HD1#
  or resid 138 and name HG2#
  or resid 156 and name HD1#
  or resid 188 and name HD2#
  or resid 196 and name HD2#
  or resid 198 and name HG1#
  or resid 202 and name HD1#
  or resid 211 and name HD1#
  ) 4.5 0.9 0.9 volume=1.107 peak=173 ppm1=1.810 ppm2=0.929

assign ( resid 200 and name HA
  )
       ( resid 6 and name HG2#
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 78 and name HB2
  or resid 89 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 135 and name HG12
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  ) 4.7 0.9 0.9 volume=0.180 peak=174 ppm1=3.865 ppm2=1.437

assign ( resid 16 and name HA
  )
       ( resid 4 and name HA
  or resid 38 and name HA
  or resid 45 and name HA3
  or resid 50 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 72 and name HA
  or resid 84 and name HA
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 99 and name HA2
  or resid 100 and name HA
  or resid 101 and name HA
  or resid 113 and name HA
  or resid 167 and name HA
  or resid 169 and name HA
  or resid 177 and name HA
  or resid 191 and name HA
  or resid 211 and name HA
  ) 4.4 0.9 0.9 volume=0.150 peak=175 ppm1=4.087 ppm2=3.788

assign ( resid 158 and name HB3
  )
       ( resid 38 and name HG2#
  or resid 54 and name HE#
  or resid 56 and name HD1#
  or resid 84 and name HG1#
  or resid 89 and name HG
  or resid 106 and name HG2#
  or resid 121 and name HG2#
  or resid 137 and name HD1#
  or resid 156 and name HG12
  or resid 161 and name HG1#
  or resid 163 and name HB2
  or resid 185 and name HG1#
  or resid 185 and name HG2#
  or resid 191 and name HG2#
  or resid 211 and name HG12
  ) 4.6 0.9 0.9 volume=0.212 peak=176 ppm1=4.081 ppm2=1.292

assign ( resid 16 and name HB2
  or resid 219 and name HB2
  )
       ( resid 17 and name HB
  or resid 49 and name HB
  or resid 65 and name HB3
  or resid 65 and name HB2
  or resid 73 and name HB3
  or resid 86 and name HB3
  or resid 90 and name HB3
  or resid 107 and name HB
  or resid 122 and name HG2
  or resid 137 and name HB3
  or resid 170 and name HB3
  or resid 222 and name HG2
  or resid 225 and name HG2
  or resid 225 and name HG3
  ) 4.2 0.8 0.8 volume=0.198 peak=177 ppm1=1.955 ppm2=2.444

assign ( resid 17 and name HA
  or resid 192 and name HA
  )
       ( resid 4 and name HG
  or resid 7 and name HG
  or resid 12 and name HB#
  or resid 56 and name HB3
  or resid 63 and name HB
  or resid 72 and name HG3
  or resid 72 and name HG2
  or resid 74 and name HB
  or resid 93 and name HG
  or resid 96 and name HB2
  or resid 121 and name HG12
  or resid 166 and name HG
  or resid 179 and name HB2
  or resid 179 and name HG
  or resid 180 and name HB2
  or resid 187 and name HG
  or resid 187 and name HB3
  or resid 187 and name HB2
  or resid 200 and name HG
  or resid 204 and name HG2#
  or resid 213 and name HB2
  or resid 219 and name HG
  ) 4.3 0.9 0.9 volume=0.173 peak=178 ppm1=3.602 ppm2=1.836

assign ( resid 17 and name HB
  or resid 107 and name HB
  )
       ( resid 13 and name H
  or resid 16 and name H
  or resid 51 and name H
  or resid 110 and name H
  or resid 154 and name H
  ) 4.5 0.9 0.9 volume=0.136 peak=179 ppm1=2.395 ppm2=8.980

assign ( resid 17 and name HB
  or resid 107 and name HB
  )
       ( resid 4 and name HB2
  or resid 10 and name HB3
  or resid 16 and name HB2
  or resid 20 and name HB3
  or resid 43 and name HB
  or resid 46 and name HB
  or resid 46 and name HG13
  or resid 47 and name HB#
  or resid 58 and name HB
  or resid 77 and name HG13
  or resid 77 and name HB
  or resid 100 and name HG12
  or resid 100 and name HB
  or resid 101 and name HB
  or resid 110 and name HB2
  or resid 110 and name HG
  or resid 162 and name HB3
  or resid 211 and name HG13
  or resid 241 and name HB3
  or resid 241 and name HB2
  ) 3.7 0.7 0.7 volume=0.422 peak=180 ppm1=2.394 ppm2=2.017

assign ( resid 20 and name HD1#
  or resid 110 and name HD1#
  )
       ( resid 17 and name H
  or resid 48 and name H
  or resid 63 and name H
  or resid 66 and name H
  or resid 86 and name H
  or resid 95 and name H
  or resid 98 and name H
  or resid 102 and name H
  or resid 111 and name H
  or resid 115 and name H
  or resid 121 and name H
  or resid 142 and name H
  or resid 161 and name H
  or resid 165 and name H
  or resid 213 and name H
  ) 3.6 0.7 0.7 volume=1.456 peak=181 ppm1=0.958 ppm2=8.670

assign ( resid 20 and name HD1#
  or resid 104 and name HD1#
  or resid 110 and name HD1#
  )
       ( resid 18 and name H
  or resid 44 and name H
  or resid 83 and name H
  or resid 116 and name H
  or resid 120 and name H
  or resid 125 and name H
  or resid 133 and name H
  or resid 136 and name H
  or resid 149 and name H
  or resid 153 and name H
  or resid 215 and name H
  or resid 218 and name H
  or resid 220 and name H
  or resid 230 and name H
  or resid 237 and name H
  ) 4.2 0.8 0.8 volume=0.618 peak=182 ppm1=0.945 ppm2=7.975

assign ( resid 217 and name HB#
  )
       ( resid 43 and name HD1#
  or resid 63 and name HG1#
  or resid 77 and name HD1#
  or resid 83 and name HG2#
  or resid 93 and name HD1#
  or resid 93 and name HB3
  or resid 179 and name HD1#
  or resid 194 and name HG2#
  or resid 200 and name HD2#
  or resid 211 and name HG2#
  or resid 219 and name HD1#
  or resid 219 and name HD2#
  ) 5.3 1.1 1.1 volume=0.374 peak=183 ppm1=1.724 ppm2=0.823

assign ( resid 23 and name HB#
  or resid 125 and name HB#
  or resid 216 and name HB#
  )
       ( resid 5 and name HB
  or resid 8 and name HA
  or resid 19 and name HA
  or resid 22 and name HA
  or resid 189 and name HB
  or resid 223 and name HA
  or resid 231 and name HA
  or resid 233 and name HA
  ) 5.4 1.1 1.1 volume=0.129 peak=184 ppm1=1.701 ppm2=4.871

assign ( resid 172 and name HB#
  )
       ( resid 17 and name HA
  or resid 24 and name HB3
  or resid 46 and name HA
  or resid 49 and name HA
  or resid 52 and name HA
  or resid 60 and name HB2
  or resid 67 and name HB
  or resid 77 and name HA
  or resid 85 and name HB2
  or resid 91 and name HA
  or resid 114 and name HA
  or resid 135 and name HA
  or resid 139 and name HB3
  or resid 140 and name HA
  or resid 143 and name HA2
  or resid 164 and name HD3
  or resid 192 and name HA
  or resid 203 and name HA
  or resid 207 and name HA2
  ) 4.6 0.9 0.9 volume=0.336 peak=185 ppm1=1.952 ppm2=3.613

assign ( resid 131 and name HA
  or resid 149 and name HA
  )
       ( resid 12 and name HA
  or resid 21 and name HA
  or resid 23 and name HA
  or resid 35 and name HA
  or resid 48 and name HA
  or resid 79 and name HB
  or resid 89 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  or resid 120 and name HA2
  or resid 122 and name HA
  or resid 137 and name HA
  or resid 142 and name HA
  or resid 147 and name HA
  or resid 148 and name HA
  or resid 150 and name HA
  or resid 158 and name HA
  or resid 159 and name HA
  or resid 172 and name HA
  or resid 179 and name HA
  or resid 181 and name HA3
  or resid 181 and name HA2
  or resid 201 and name HA
  or resid 202 and name HA
  or resid 206 and name HA
  or resid 218 and name HA
  or resid 219 and name HA
  or resid 234 and name HB
  or resid 237 and name HA
  ) 4.3 0.9 0.9 volume=0.164 peak=186 ppm1=4.010 ppm2=4.235

assign ( resid 53 and name HB
  or resid 132 and name HB
  or resid 203 and name HB
  )
       ( resid 9 and name HB2
  or resid 11 and name HA2
  or resid 11 and name HA3
  or resid 22 and name HB2
  or resid 85 and name HB3
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 98 and name HB3
  or resid 113 and name HB3
  or resid 113 and name HB2
  or resid 138 and name HA
  or resid 140 and name HB2
  or resid 143 and name HA3
  or resid 152 and name HD2
  or resid 199 and name HB3
  or resid 210 and name HB2
  or resid 220 and name HD2
  or resid 220 and name HD3
  or resid 223 and name HB2
  ) 4.1 0.8 0.8 volume=0.212 peak=187 ppm1=2.306 ppm2=3.376

assign ( resid 82 and name HG
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  ) 4.7 0.9 0.9 volume=0.094 peak=188 ppm1=2.297 ppm2=3.699

assign ( resid 169 and name HG2#
  )
       ( resid 167 and name HG2#
  or resid 171 and name H
  ) 5.1 1.0 1.0 volume=0.267 peak=189 ppm1=1.214 ppm2=-0.137

assign ( resid 20 and name HG
  or resid 196 and name HG
  )
       ( resid 18 and name H
  or resid 44 and name H
  or resid 83 and name H
  or resid 116 and name H
  or resid 120 and name H
  or resid 125 and name H
  or resid 129 and name H
  or resid 133 and name H
  or resid 136 and name H
  or resid 149 and name H
  or resid 153 and name H
  or resid 186 and name H
  or resid 187 and name H
  or resid 188 and name H
  or resid 218 and name H
  or resid 219 and name H
  or resid 220 and name H
  or resid 237 and name H
  ) 4.1 0.8 0.8 volume=0.242 peak=190 ppm1=2.092 ppm2=8.003

assign ( resid 41 and name HA
  )
       ( resid 9 and name H
  or resid 22 and name H
  or resid 24 and name H
  or resid 25 and name H
  or resid 31 and name H
  or resid 38 and name H
  or resid 70 and name H
  or resid 131 and name H
  or resid 138 and name H
  or resid 145 and name H
  or resid 198 and name H
  ) 4.8 1.0 1.0 volume=0.088 peak=191 ppm1=4.058 ppm2=8.753

assign ( resid 47 and name HB#
  )
       ( resid 6 and name HB
  or resid 15 and name HA
  or resid 81 and name HA
  or resid 82 and name HA
  or resid 87 and name HA
  or resid 98 and name HA
  or resid 103 and name HB
  or resid 106 and name HB
  or resid 146 and name HB
  or resid 187 and name HA
  or resid 215 and name HA
  or resid 218 and name HB
  or resid 221 and name HA
  or resid 227 and name HA
  or resid 228 and name HA
  or resid 232 and name HB
  or resid 232 and name HA
  or resid 236 and name HA
  or resid 238 and name HA
  ) 5.0 1.0 1.0 volume=0.218 peak=192 ppm1=1.979 ppm2=4.460

assign ( resid 15 and name HE#
  )
       ( resid 13 and name H
  or resid 16 and name H
  or resid 51 and name H
  or resid 89 and name H
  or resid 110 and name H
  or resid 154 and name H
  ) 5.3 1.1 1.1 volume=0.147 peak=193 ppm1=2.198 ppm2=8.988

assign ( resid 170 and name HG
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 146 and name HG2#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 232 and name HG2#
  or resid 234 and name HG2#
  ) 3.8 0.8 0.8 volume=0.541 peak=194 ppm1=2.224 ppm2=1.400

assign ( resid 50 and name HA
  )
       ( resid 27 and name HA
  or resid 39 and name HA
  or resid 45 and name HA2
  or resid 58 and name HA
  or resid 64 and name HA
  or resid 68 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 166 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  ) 4.8 1.0 1.0 volume=0.087 peak=195 ppm1=3.779 ppm2=4.005

assign ( resid 50 and name HA
  )
       ( resid 17 and name HB
  or resid 49 and name HB
  or resid 62 and name HB2
  or resid 65 and name HB3
  or resid 65 and name HB2
  or resid 107 and name HB
  or resid 137 and name HB3
  or resid 142 and name HB
  or resid 222 and name HG3
  or resid 225 and name HG2
  or resid 225 and name HG3
  ) 4.3 0.9 0.9 volume=0.164 peak=196 ppm1=3.797 ppm2=2.404

assign ( resid 52 and name HA
  or resid 114 and name HA
  )
       ( resid 13 and name HB
  or resid 15 and name HE#
  or resid 56 and name HG
  or resid 61 and name HB
  or resid 62 and name HB3
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 168 and name HB
  or resid 180 and name HG
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 4.0 0.8 0.8 volume=0.270 peak=197 ppm1=3.614 ppm2=2.171

assign ( resid 52 and name HA
  or resid 114 and name HA
  )
       ( resid 10 and name HG
  or resid 16 and name HB2
  or resid 46 and name HB
  or resid 47 and name HB#
  or resid 100 and name HG12
  or resid 100 and name HB
  or resid 110 and name HB2
  or resid 117 and name HE#
  or resid 162 and name HB3
  or resid 172 and name HB#
  or resid 179 and name HB3
  or resid 211 and name HG13
  or resid 219 and name HB2
  ) 4.4 0.9 0.9 volume=0.165 peak=198 ppm1=3.615 ppm2=1.971

assign ( resid 52 and name HB#
  or resid 116 and name HB#
  )
       ( resid 5 and name HG2#
  or resid 7 and name HG
  or resid 7 and name HB2
  or resid 10 and name HB2
  or resid 25 and name HB#
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 56 and name HB3
  or resid 63 and name HB
  or resid 89 and name HB3
  or resid 96 and name HB2
  or resid 117 and name HE#
  or resid 121 and name HG12
  or resid 166 and name HG
  or resid 194 and name HB
  or resid 200 and name HG
  or resid 213 and name HB2
  or resid 219 and name HG
  ) 4.0 0.8 0.8 volume=0.932 peak=199 ppm1=1.598 ppm2=1.887

assign ( resid 52 and name HB#
  or resid 116 and name HB#
  )
       ( resid 16 and name H
  or resid 51 and name H
  or resid 59 and name H
  or resid 64 and name H
  or resid 110 and name H
  or resid 154 and name H
  ) 4.4 0.9 0.9 volume=0.452 peak=200 ppm1=1.593 ppm2=8.960

assign ( resid 49 and name HB
  )
       ( resid 4 and name HA
  or resid 38 and name HA
  or resid 45 and name HA3
  or resid 50 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 72 and name HA
  or resid 84 and name HA
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 99 and name HA2
  or resid 100 and name HA
  or resid 101 and name HA
  or resid 113 and name HA
  or resid 167 and name HA
  or resid 169 and name HA
  or resid 177 and name HA
  or resid 191 and name HA
  ) 4.4 0.9 0.9 volume=0.150 peak=201 ppm1=2.441 ppm2=3.783

assign ( resid 107 and name HB
  )
       ( resid 3 and name HA3
  or resid 5 and name HA
  or resid 6 and name HA
  or resid 12 and name HA
  or resid 21 and name HA
  or resid 35 and name HA
  or resid 37 and name HA
  or resid 48 and name HA
  or resid 89 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  or resid 110 and name HA
  or resid 120 and name HA2
  or resid 121 and name HA
  or resid 122 and name HA
  or resid 123 and name HA
  or resid 125 and name HA
  or resid 137 and name HA
  or resid 142 and name HA
  or resid 147 and name HA
  or resid 148 and name HA
  or resid 150 and name HA
  or resid 158 and name HA
  or resid 159 and name HA
  or resid 184 and name HA2
  or resid 185 and name HA
  or resid 206 and name HA
  or resid 217 and name HA
  or resid 218 and name HA
  or resid 219 and name HA
  or resid 220 and name HA
  or resid 234 and name HB
  ) 4.6 0.9 0.9 volume=0.114 peak=202 ppm1=2.433 ppm2=4.278

assign ( resid 54 and name HE#
  )
       ( resid 7 and name HA
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 39 and name HA
  or resid 41 and name HA
  or resid 45 and name HA2
  or resid 55 and name HA
  or resid 63 and name HA
  or resid 64 and name HA
  or resid 68 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 131 and name HA
  or resid 133 and name HA
  or resid 146 and name HA
  or resid 149 and name HA
  or resid 166 and name HA
  or resid 174 and name HA
  or resid 191 and name HB
  or resid 196 and name HA
  or resid 199 and name HA
  or resid 216 and name HA
  or resid 226 and name HB3
  or resid 226 and name HB2
  ) 4.8 1.0 1.0 volume=0.266 peak=203 ppm1=1.268 ppm2=4.044

assign ( resid 54 and name HE#
  )
       ( resid 1 and name HE#
  or resid 2 and name HB
  or resid 38 and name HB
  or resid 53 and name HB
  or resid 78 and name HB3
  or resid 82 and name HG
  or resid 84 and name HB
  or resid 118 and name HB
  or resid 121 and name HB
  or resid 132 and name HB
  or resid 135 and name HB
  or resid 147 and name HG2
  or resid 147 and name HG3
  or resid 161 and name HB
  or resid 173 and name HB
  or resid 173 and name HG13
  or resid 192 and name HB
  or resid 197 and name HB
  or resid 198 and name HB
  or resid 202 and name HB3
  or resid 203 and name HB
  or resid 230 and name HB
  or resid 241 and name HG2
  or resid 241 and name HG3
  ) 4.9 1.0 1.0 volume=0.250 peak=204 ppm1=1.265 ppm2=2.302

assign ( resid 55 and name HA
  or resid 133 and name HA
  or resid 216 and name HA
  )
       ( resid 22 and name HB3
  or resid 24 and name HB2
  or resid 51 and name HB2
  or resid 73 and name HB2
  or resid 74 and name HA
  or resid 86 and name HB2
  or resid 107 and name HA
  or resid 127 and name HA
  or resid 128 and name HA3
  or resid 134 and name HB3
  or resid 134 and name HB2
  or resid 176 and name HB2
  or resid 178 and name HB3
  or resid 178 and name HB2
  or resid 210 and name HB3
  or resid 223 and name HB3
  ) 4.2 0.8 0.8 volume=0.192 peak=205 ppm1=4.065 ppm2=3.506

assign ( resid 180 and name HG
  )
       ( resid 4 and name H
  or resid 8 and name H
  or resid 11 and name H
  or resid 20 and name H
  or resid 21 and name H
  or resid 33 and name H
  or resid 46 and name H
  or resid 57 and name H
  or resid 105 and name H
  or resid 113 and name H
  or resid 124 and name H
  or resid 135 and name H
  or resid 147 and name H
  or resid 163 and name H
  or resid 178 and name H
  or resid 179 and name H
  or resid 193 and name H
  or resid 194 and name H
  or resid 228 and name H
  or resid 239 and name H
  or resid 240 and name H
  ) 4.5 0.9 0.9 volume=0.138 peak=206 ppm1=2.159 ppm2=8.184

assign ( resid 20 and name HG
  or resid 110 and name HG
  or resid 196 and name HG
  )
       ( resid 7 and name H
  or resid 40 and name H
  or resid 51 and name HD#
  or resid 60 and name HH2
  or resid 98 and name HE#
  or resid 105 and name HD21
  or resid 109 and name H
  or resid 151 and name H
  or resid 152 and name H
  or resid 156 and name H
  or resid 166 and name H
  or resid 171 and name HD1
  or resid 174 and name H
  or resid 176 and name H
  or resid 199 and name H
  or resid 210 and name HD#
  ) 4.5 0.9 0.9 volume=0.137 peak=207 ppm1=2.041 ppm2=7.561

assign ( resid 56 and name HA
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  ) 4.6 0.9 0.9 volume=0.114 peak=208 ppm1=4.407 ppm2=3.696

assign ( resid 7 and name HB2
  or resid 89 and name HB3
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 24 and name HB3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 91 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  or resid 140 and name HA
  ) 4.6 0.9 0.9 volume=0.115 peak=209 ppm1=1.893 ppm2=3.686

assign ( resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 180 and name HG
  or resid 202 and name HG
  or resid 213 and name HG
  )
       ( resid 58 and name HA
  or resid 70 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  ) 3.1 0.6 0.6 volume=1.273 peak=210 ppm1=2.169 ppm2=3.968

assign ( resid 38 and name HG2#
  or resid 56 and name HD1#
  or resid 84 and name HG1#
  )
       ( resid 9 and name HE1
  or resid 24 and name HE1
  or resid 60 and name HE1
  or resid 200 and name HD1#
  ) 4.3 0.9 0.9 volume=0.608 peak=211 ppm1=1.295 ppm2=0.327

assign ( resid 68 and name HB
  )
       ( resid 9 and name H
  or resid 22 and name H
  or resid 24 and name H
  or resid 25 and name H
  or resid 31 and name H
  or resid 70 and name H
  or resid 86 and name H
  or resid 95 and name H
  or resid 131 and name H
  or resid 138 and name H
  or resid 198 and name H
  ) 4.6 0.9 0.9 volume=0.109 peak=212 ppm1=2.178 ppm2=8.745

assign ( resid 111 and name HA
  )
       ( resid 16 and name H
  or resid 51 and name H
  or resid 59 and name H
  or resid 64 and name H
  or resid 110 and name H
  or resid 154 and name H
  ) 4.5 0.9 0.9 volume=0.130 peak=213 ppm1=3.992 ppm2=8.952

assign ( resid 58 and name HG1#
  or resid 198 and name HG1#
  )
       ( resid 55 and name HB#
  or resid 89 and name HD1#
  or resid 171 and name HE1
  ) 6.2 1.2 1.2 volume=0.097 peak=214 ppm1=0.890 ppm2=0.216

assign ( resid 58 and name HG1#
  )
       ( resid 2 and name HA
  or resid 5 and name HA
  or resid 24 and name HA
  or resid 29 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 76 and name HA
  or resid 79 and name HA
  or resid 80 and name HA
  or resid 83 and name HA
  or resid 87 and name HA
  or resid 95 and name HA
  or resid 98 and name HA
  or resid 123 and name HA
  or resid 134 and name HA
  or resid 165 and name HA
  or resid 176 and name HA
  or resid 222 and name HA
  or resid 230 and name HA
  or resid 240 and name HA
  or resid 241 and name HA
  ) 4.6 0.9 0.9 volume=0.362 peak=215 ppm1=0.890 ppm2=4.373

assign ( resid 67 and name HB
  )
       ( resid 5 and name HG2#
  or resid 7 and name HB2
  or resid 10 and name HB2
  or resid 25 and name HB#
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 63 and name HB
  or resid 89 and name HB3
  or resid 96 and name HB2
  or resid 117 and name HE#
  or resid 166 and name HG
  or resid 172 and name HB#
  or resid 179 and name HB3
  or resid 194 and name HB
  or resid 219 and name HB2
  ) 4.7 0.9 0.9 volume=0.123 peak=216 ppm1=3.554 ppm2=1.910

assign ( resid 176 and name HA
  )
       ( resid 10 and name H
  or resid 34 and name H
  or resid 41 and name H
  or resid 52 and name H
  or resid 80 and name H
  or resid 97 and name H
  or resid 99 and name H
  or resid 104 and name H
  or resid 107 and name H
  or resid 140 and name H
  or resid 158 and name H
  or resid 180 and name H
  or resid 195 and name H
  or resid 203 and name H
  or resid 214 and name H
  or resid 224 and name H
  or resid 226 and name H
  or resid 227 and name H
  or resid 229 and name H
  or resid 236 and name H
  ) 3.8 0.8 0.8 volume=0.350 peak=217 ppm1=4.384 ppm2=8.359

assign ( resid 145 and name HA
  or resid 208 and name HA
  )
       ( resid 3 and name H
  or resid 17 and name H
  or resid 23 and name H
  or resid 48 and name H
  or resid 63 and name H
  or resid 65 and name H
  or resid 87 and name H
  or resid 98 and name H
  or resid 102 and name H
  or resid 139 and name H
  or resid 142 and name H
  or resid 157 and name H
  or resid 161 and name H
  or resid 213 and name H
  ) 4.1 0.8 0.8 volume=0.237 peak=218 ppm1=3.913 ppm2=8.619

assign ( resid 70 and name HA
  )
       ( resid 7 and name HG
  or resid 7 and name HB2
  or resid 10 and name HB2
  or resid 12 and name HB#
  or resid 25 and name HB#
  or resid 27 and name HB3
  or resid 56 and name HB3
  or resid 63 and name HB
  or resid 72 and name HG3
  or resid 72 and name HG2
  or resid 74 and name HB
  or resid 89 and name HB3
  or resid 93 and name HG
  or resid 96 and name HB2
  or resid 121 and name HG12
  or resid 166 and name HG
  or resid 179 and name HG
  or resid 180 and name HB2
  or resid 187 and name HB2
  or resid 194 and name HB
  or resid 200 and name HG
  or resid 204 and name HG2#
  or resid 213 and name HB2
  or resid 219 and name HG
  ) 4.7 0.9 0.9 volume=0.110 peak=219 ppm1=3.944 ppm2=1.857

assign ( resid 172 and name HB#
  )
       ( resid 18 and name H
  or resid 28 and name H
  or resid 83 and name H
  or resid 116 and name H
  or resid 120 and name H
  or resid 125 and name H
  or resid 133 and name H
  or resid 136 and name H
  or resid 149 and name H
  or resid 150 and name H
  or resid 170 and name H
  or resid 215 and name H
  or resid 218 and name H
  or resid 220 and name H
  or resid 230 and name H
  or resid 237 and name H
  ) 5.6 1.1 1.1 volume=0.102 peak=220 ppm1=1.909 ppm2=7.953

assign ( resid 129 and name HE#
  )
       ( resid 9 and name HE3
  or resid 36 and name H
  or resid 39 and name H
  or resid 58 and name H
  or resid 60 and name HZ2
  or resid 75 and name H
  or resid 76 and name HZ2
  or resid 92 and name H
  or resid 101 and name H
  or resid 108 and name H
  or resid 159 and name H
  or resid 162 and name H
  or resid 172 and name H
  or resid 191 and name H
  or resid 205 and name H
  ) 5.4 1.1 1.1 volume=0.125 peak=221 ppm1=2.072 ppm2=7.757

assign ( resid 129 and name HE#
  )
       ( resid 20 and name H
  or resid 43 and name H
  or resid 46 and name H
  or resid 84 and name H
  or resid 91 and name H
  or resid 105 and name H
  or resid 106 and name H
  or resid 112 and name H
  or resid 123 and name H
  or resid 124 and name H
  or resid 143 and name H
  or resid 147 and name H
  or resid 193 and name H
  or resid 216 and name H
  or resid 217 and name H
  or resid 223 and name H
  or resid 228 and name H
  or resid 238 and name H
  or resid 239 and name H
  or resid 241 and name H
  ) 5.2 1.0 1.0 volume=0.163 peak=222 ppm1=2.072 ppm2=8.256

assign ( resid 129 and name HE#
  )
       ( resid 13 and name H
  or resid 16 and name H
  or resid 51 and name H
  or resid 89 and name H
  or resid 110 and name H
  ) 5.7 1.1 1.1 volume=0.097 peak=223 ppm1=2.069 ppm2=9.004

assign ( resid 131 and name HB#
  )
       ( resid 2 and name HA
  or resid 3 and name HA3
  or resid 5 and name HA
  or resid 24 and name HA
  or resid 29 and name HA
  or resid 37 and name HA
  or resid 54 and name HA
  or resid 79 and name HA
  or resid 80 and name HA
  or resid 83 and name HA
  or resid 110 and name HA
  or resid 123 and name HA
  or resid 125 and name HA
  or resid 134 and name HA
  or resid 185 and name HA
  or resid 222 and name HA
  or resid 230 and name HA
  or resid 240 and name HA
  or resid 241 and name HA
  ) 5.6 1.1 1.1 volume=0.110 peak=224 ppm1=1.211 ppm2=4.345

assign ( resid 129 and name HE#
  )
       ( resid 93 and name HD1#
  or resid 93 and name HD2#
  or resid 93 and name HB3
  or resid 108 and name HG1#
  or resid 177 and name HD1#
  or resid 179 and name HD1#
  or resid 194 and name HG2#
  or resid 200 and name HD2#
  ) 6.0 1.2 1.2 volume=0.165 peak=225 ppm1=2.073 ppm2=0.768

assign ( resid 202 and name HD1#
  )
       ( resid 13 and name H
  or resid 16 and name H
  or resid 51 and name H
  or resid 89 and name H
  or resid 110 and name H
  or resid 155 and name H
  ) 5.8 1.2 1.2 volume=0.082 peak=226 ppm1=0.867 ppm2=9.012

assign ( resid 104 and name HD1#
  )
       ( resid 36 and name HB3
  or resid 51 and name HB3
  or resid 94 and name HB2
  or resid 105 and name HB3
  or resid 140 and name HB3
  or resid 208 and name HB3
  ) 5.5 1.1 1.1 volume=0.118 peak=227 ppm1=0.942 ppm2=2.972

assign ( resid 78 and name HG
  )
       ( resid 28 and name HB2
  or resid 33 and name HG3
  or resid 33 and name HG2
  or resid 70 and name HB
  or resid 73 and name HB3
  or resid 75 and name HB2
  or resid 97 and name HG3
  or resid 127 and name HB2
  or resid 129 and name HG3
  or resid 145 and name HG2
  or resid 145 and name HG3
  or resid 151 and name HG3
  or resid 170 and name HB3
  or resid 185 and name HB
  ) 4.5 0.9 0.9 volume=0.127 peak=228 ppm1=2.160 ppm2=2.529

assign ( resid 108 and name HG1#
  )
       ( resid 2 and name H
  or resid 127 and name H
  or resid 129 and name H
  or resid 130 and name H
  or resid 132 and name H
  or resid 148 and name H
  or resid 181 and name H
  or resid 186 and name H
  or resid 187 and name H
  or resid 188 and name H
  or resid 197 and name H
  or resid 209 and name H
  or resid 219 and name H
  ) 5.4 1.1 1.1 volume=0.125 peak=229 ppm1=0.737 ppm2=8.059

assign ( resid 166 and name HD1#
  )
       ( resid 32 and name H
  or resid 61 and name H
  or resid 85 and name H
  or resid 160 and name H
  or resid 185 and name H
  or resid 207 and name H
  or resid 210 and name H
  ) 5.2 1.0 1.0 volume=0.165 peak=230 ppm1=1.194 ppm2=9.132

assign ( resid 137 and name HD1#
  )
       ( resid 9 and name HE3
  or resid 36 and name H
  or resid 39 and name H
  or resid 58 and name H
  or resid 60 and name HZ2
  or resid 75 and name H
  or resid 76 and name HZ2
  or resid 92 and name H
  or resid 101 and name H
  or resid 108 and name H
  or resid 159 and name H
  or resid 162 and name H
  or resid 172 and name H
  or resid 191 and name H
  or resid 205 and name H
  ) 5.0 1.0 1.0 volume=0.200 peak=231 ppm1=1.276 ppm2=7.752

assign ( resid 7 and name HD2#
  or resid 196 and name HD2#
  )
       ( resid 73 and name HD#
  or resid 76 and name HD1
  or resid 86 and name HE#
  or resid 113 and name HD#
  or resid 139 and name HD#
  or resid 160 and name HD#
  or resid 199 and name HD#
  or resid 208 and name HD#
  ) 5.9 1.2 1.2 volume=0.132 peak=232 ppm1=0.917 ppm2=7.022

assign ( resid 137 and name HD1#
  )
       ( resid 9 and name HZ3
  or resid 47 and name H
  or resid 82 and name H
  or resid 85 and name HD#
  or resid 139 and name HD#
  or resid 208 and name HD#
  ) 6.1 1.2 1.2 volume=0.081 peak=233 ppm1=1.283 ppm2=6.942

assign ( resid 79 and name HA
  )
       ( resid 20 and name H
  or resid 43 and name H
  or resid 46 and name H
  or resid 84 and name H
  or resid 91 and name H
  or resid 105 and name H
  or resid 106 and name H
  or resid 112 and name H
  or resid 123 and name H
  or resid 124 and name H
  or resid 143 and name H
  or resid 147 and name H
  or resid 158 and name H
  or resid 193 and name H
  or resid 216 and name H
  or resid 217 and name H
  or resid 223 and name H
  or resid 228 and name H
  or resid 238 and name H
  or resid 239 and name H
  or resid 241 and name H
  ) 4.7 0.9 0.9 volume=0.106 peak=234 ppm1=4.356 ppm2=8.268

assign ( resid 39 and name HG2#
  )
       ( resid 6 and name HB
  or resid 15 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 76 and name HA
  or resid 80 and name HA
  or resid 82 and name HA
  or resid 83 and name HA
  or resid 87 and name HA
  or resid 95 and name HA
  or resid 98 and name HA
  or resid 134 and name HA
  or resid 146 and name HB
  or resid 165 and name HA
  or resid 176 and name HA
  or resid 187 and name HA
  or resid 215 and name HA
  or resid 218 and name HB
  or resid 221 and name HA
  or resid 222 and name HA
  or resid 232 and name HB
  or resid 238 and name HA
  ) 4.6 0.9 0.9 volume=0.332 peak=235 ppm1=1.756 ppm2=4.424

assign ( resid 39 and name HG2#
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 24 and name HB3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 46 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 91 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  or resid 140 and name HA
  ) 4.5 0.9 0.9 volume=0.400 peak=236 ppm1=1.757 ppm2=3.680

assign ( resid 80 and name HG2#
  )
       ( resid 58 and name HA
  or resid 70 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  ) 5.2 1.0 1.0 volume=0.172 peak=237 ppm1=0.446 ppm2=3.966

assign ( resid 110 and name HA
  )
       ( resid 28 and name HB2
  or resid 33 and name HG3
  or resid 33 and name HG2
  or resid 73 and name HB3
  or resid 75 and name HB2
  or resid 86 and name HB3
  or resid 90 and name HB3
  or resid 97 and name HG3
  or resid 122 and name HG2
  or resid 129 and name HG3
  or resid 145 and name HG2
  or resid 145 and name HG3
  or resid 170 and name HB3
  or resid 222 and name HG2
  or resid 225 and name HG2
  or resid 225 and name HG3
  ) 3.8 0.8 0.8 volume=0.332 peak=238 ppm1=4.299 ppm2=2.484

assign ( resid 98 and name HA
  )
       ( resid 4 and name HB2
  or resid 10 and name HB3
  or resid 13 and name HG13
  or resid 16 and name HB3
  or resid 20 and name HG
  or resid 20 and name HB3
  or resid 33 and name HB2
  or resid 40 and name HB3
  or resid 40 and name HG
  or resid 43 and name HB
  or resid 46 and name HG13
  or resid 56 and name HB2
  or resid 58 and name HB
  or resid 77 and name HG13
  or resid 77 and name HB
  or resid 90 and name HG
  or resid 101 and name HB
  or resid 129 and name HE#
  or resid 135 and name HG13
  or resid 138 and name HB
  or resid 141 and name HB2
  or resid 141 and name HG
  or resid 159 and name HB3
  or resid 162 and name HB2
  or resid 168 and name HB
  or resid 180 and name HB3
  or resid 188 and name HG
  or resid 196 and name HG
  or resid 196 and name HB2
  or resid 211 and name HB
  or resid 213 and name HB3
  or resid 225 and name HB2
  or resid 241 and name HB3
  or resid 241 and name HB2
  ) 4.1 0.8 0.8 volume=0.225 peak=239 ppm1=4.398 ppm2=2.089

assign ( resid 76 and name HA
  or resid 87 and name HA
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 4.8 1.0 1.0 volume=0.141 peak=240 ppm1=4.415 ppm2=1.419

assign ( resid 4 and name HB3
  or resid 93 and name HB2
  or resid 196 and name HB3
  )
       ( resid 38 and name HB
  or resid 53 and name HB
  or resid 62 and name HB2
  or resid 78 and name HB3
  or resid 82 and name HG
  or resid 84 and name HB
  or resid 121 and name HB
  or resid 132 and name HB
  or resid 135 and name HB
  or resid 142 and name HB
  or resid 147 and name HG2
  or resid 147 and name HG3
  or resid 197 and name HB
  or resid 198 and name HB
  or resid 202 and name HB3
  or resid 203 and name HB
  or resid 222 and name HG3
  or resid 241 and name HG2
  or resid 241 and name HG3
  ) 4.4 0.9 0.9 volume=0.152 peak=241 ppm1=1.374 ppm2=2.340

assign ( resid 10 and name HB2
  or resid 89 and name HB3
  )
       ( resid 7 and name H
  or resid 40 and name H
  or resid 60 and name HH2
  or resid 60 and name HZ3
  or resid 98 and name HE#
  or resid 109 and name H
  or resid 134 and name HE#
  or resid 151 and name H
  or resid 152 and name H
  or resid 166 and name H
  or resid 169 and name H
  or resid 171 and name HE3
  or resid 171 and name HH2
  or resid 171 and name HD1
  or resid 174 and name H
  or resid 176 and name H
  or resid 199 and name H
  or resid 208 and name H
  or resid 210 and name HD#
  ) 4.8 1.0 1.0 volume=0.099 peak=242 ppm1=1.889 ppm2=7.528

assign ( resid 179 and name HD1#
  )
       ( resid 26 and name HA2
  or resid 27 and name HD2
  or resid 37 and name HB2
  or resid 66 and name HD3
  or resid 139 and name HB2
  or resid 176 and name HB3
  or resid 199 and name HB2
  ) 5.4 1.1 1.1 volume=0.135 peak=243 ppm1=0.788 ppm2=3.115

assign ( resid 46 and name HG12
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 42 and name HA2
  or resid 53 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 100 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  ) 4.5 0.9 0.9 volume=0.136 peak=244 ppm1=1.800 ppm2=3.721

assign ( resid 100 and name HD1#
  )
       ( resid 38 and name HG2#
  or resid 49 and name HG1#
  or resid 54 and name HE#
  or resid 56 and name HD1#
  or resid 74 and name HG12
  or resid 84 and name HG1#
  or resid 89 and name HG
  or resid 91 and name HB#
  or resid 103 and name HG2#
  or resid 121 and name HD1#
  or resid 121 and name HG2#
  or resid 131 and name HB#
  or resid 137 and name HD1#
  or resid 137 and name HD2#
  or resid 141 and name HB3
  or resid 156 and name HG12
  or resid 161 and name HG1#
  or resid 169 and name HG2#
  or resid 185 and name HG1#
  or resid 185 and name HG2#
  or resid 191 and name HG2#
  or resid 211 and name HG12
  ) 4.6 0.9 0.9 volume=0.670 peak=245 ppm1=1.076 ppm2=1.251

assign ( resid 100 and name HG2#
  )
       ( resid 27 and name HA
  or resid 39 and name HA
  or resid 45 and name HA2
  or resid 58 and name HA
  or resid 64 and name HA
  or resid 68 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 166 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  or resid 226 and name HB3
  or resid 226 and name HB2
  ) 4.7 0.9 0.9 volume=0.283 peak=246 ppm1=0.710 ppm2=4.013

assign ( resid 61 and name HB
  )
       ( resid 60 and name HA
  or resid 62 and name HA
  ) 4.3 0.9 0.9 volume=0.173 peak=247 ppm1=2.198 ppm2=5.162

assign ( resid 139 and name HE#
  or resid 199 and name HE#
  )
       ( resid 12 and name H
  or resid 15 and name H
  or resid 23 and name H
  or resid 42 and name H
  or resid 50 and name H
  or resid 60 and name H
  or resid 65 and name H
  or resid 128 and name H
  or resid 134 and name H
  or resid 137 and name H
  or resid 139 and name H
  or resid 196 and name H
  or resid 200 and name H
  ) 4.6 0.9 0.9 volume=0.232 peak=248 ppm1=6.687 ppm2=8.550

assign ( resid 140 and name HE#
  )
       ( resid 34 and name H
  or resid 41 and name H
  or resid 43 and name H
  or resid 52 and name H
  or resid 80 and name H
  or resid 84 and name H
  or resid 97 and name H
  or resid 99 and name H
  or resid 106 and name H
  or resid 107 and name H
  or resid 112 and name H
  or resid 123 and name H
  or resid 140 and name H
  or resid 143 and name H
  or resid 158 and name H
  or resid 195 and name H
  or resid 223 and name H
  or resid 227 and name H
  or resid 229 and name H
  or resid 238 and name H
  or resid 241 and name H
  ) 4.4 0.9 0.9 volume=0.311 peak=249 ppm1=6.885 ppm2=8.306

assign ( resid 9 and name HA
  )
       ( resid 7 and name HD2#
  or resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 46 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG1#
  or resid 58 and name HG2#
  or resid 77 and name HG2#
  or resid 87 and name HD1#
  or resid 90 and name HD2#
  or resid 104 and name HD1#
  or resid 107 and name HG1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 138 and name HG2#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 188 and name HD2#
  or resid 196 and name HD2#
  or resid 203 and name HG1#
  or resid 211 and name HD1#
  or resid 227 and name HD2#
  or resid 240 and name HD1#
  ) 4.6 0.9 0.9 volume=0.341 peak=250 ppm1=4.925 ppm2=0.963

assign ( resid 9 and name HA
  )
       ( resid 12 and name HA
  or resid 21 and name HA
  or resid 23 and name HA
  or resid 35 and name HA
  or resid 48 and name HA
  or resid 79 and name HB
  or resid 89 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  or resid 120 and name HA2
  or resid 122 and name HA
  or resid 137 and name HA
  or resid 142 and name HA
  or resid 147 and name HA
  or resid 148 and name HA
  or resid 150 and name HA
  or resid 158 and name HA
  or resid 159 and name HA
  or resid 172 and name HA
  or resid 179 and name HA
  or resid 181 and name HA3
  or resid 181 and name HA2
  or resid 201 and name HA
  or resid 202 and name HA
  or resid 206 and name HA
  or resid 218 and name HA
  or resid 219 and name HA
  or resid 234 and name HB
  or resid 237 and name HA
  ) 4.7 0.9 0.9 volume=0.100 peak=251 ppm1=4.957 ppm2=4.235

assign ( resid 9 and name HZ2
  )
       ( resid 7 and name HG
  or resid 7 and name HB2
  or resid 10 and name HB2
  or resid 12 and name HB#
  or resid 25 and name HB#
  or resid 56 and name HB3
  or resid 63 and name HB
  or resid 72 and name HG3
  or resid 72 and name HG2
  or resid 74 and name HB
  or resid 89 and name HB3
  or resid 93 and name HG
  or resid 96 and name HB2
  or resid 121 and name HG12
  or resid 166 and name HG
  or resid 179 and name HG
  or resid 180 and name HB2
  or resid 187 and name HG
  or resid 187 and name HB2
  or resid 194 and name HB
  or resid 200 and name HG
  or resid 204 and name HG2#
  or resid 213 and name HB2
  or resid 219 and name HG
  ) 4.8 1.0 1.0 volume=0.091 peak=252 ppm1=7.465 ppm2=1.849

assign ( resid 9 and name HZ2
  )
       ( resid 27 and name HG3
  or resid 52 and name HB#
  or resid 64 and name HB#
  or resid 102 and name HG13
  or resid 104 and name HB3
  or resid 110 and name HB3
  or resid 111 and name HB#
  or resid 116 and name HB#
  or resid 137 and name HB2
  or resid 137 and name HG
  or resid 177 and name HG12
  or resid 189 and name HG2#
  or resid 197 and name HG12
  or resid 200 and name HB3
  or resid 219 and name HB3
  or resid 221 and name HB#
  ) 5.1 1.0 1.0 volume=0.083 peak=253 ppm1=7.475 ppm2=1.607

assign ( resid 9 and name HZ2
  )
       ( resid 9 and name HD1
  or resid 24 and name HD1
  or resid 24 and name HH2
  or resid 29 and name H
  or resid 98 and name HZ
  or resid 98 and name HD#
  or resid 117 and name H
  or resid 134 and name HD#
  or resid 171 and name HZ2
  or resid 176 and name HZ
  or resid 178 and name HZ2
  or resid 192 and name H
  ) 4.6 0.9 0.9 volume=0.128 peak=254 ppm1=7.472 ppm2=7.302

assign ( resid 9 and name HZ3
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 46 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 90 and name HD2#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 240 and name HD1#
  ) 5.2 1.0 1.0 volume=0.153 peak=255 ppm1=6.947 ppm2=0.988

assign ( resid 9 and name HE3
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 146 and name HG2#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 218 and name HG2#
  or resid 232 and name HG2#
  or resid 234 and name HG2#
  ) 5.2 1.0 1.0 volume=0.083 peak=256 ppm1=7.718 ppm2=1.386

assign ( resid 9 and name HE3
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 46 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG2#
  or resid 68 and name HG1#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 90 and name HD2#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 107 and name HG1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 240 and name HD1#
  ) 5.0 1.0 1.0 volume=0.187 peak=257 ppm1=7.708 ppm2=0.979

assign ( resid 60 and name HB2
  )
       ( resid 26 and name H
  or resid 60 and name HE3
  or resid 90 and name H
  or resid 100 and name H
  or resid 150 and name H
  or resid 167 and name H
  or resid 173 and name H
  or resid 177 and name H
  or resid 206 and name H
  or resid 212 and name H
  or resid 221 and name H
  ) 4.3 0.9 0.9 volume=0.169 peak=258 ppm1=3.651 ppm2=7.860

assign ( resid 60 and name HA
  )
       ( resid 13 and name HB
  or resid 15 and name HE#
  or resid 56 and name HG
  or resid 61 and name HB
  or resid 62 and name HB3
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 170 and name HG
  or resid 177 and name HB
  or resid 180 and name HG
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 237 and name HB
  ) 4.7 0.9 0.9 volume=0.111 peak=259 ppm1=5.177 ppm2=2.184

assign ( resid 60 and name HZ3
  )
       ( resid 5 and name HG2#
  or resid 7 and name HB2
  or resid 10 and name HB2
  or resid 25 and name HB#
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 63 and name HB
  or resid 89 and name HB3
  or resid 96 and name HB2
  or resid 117 and name HE#
  or resid 166 and name HG
  or resid 172 and name HB#
  or resid 179 and name HB3
  or resid 194 and name HB
  or resid 219 and name HB2
  ) 4.8 1.0 1.0 volume=0.106 peak=260 ppm1=7.481 ppm2=1.905

assign ( resid 60 and name HH2
  )
       ( resid 5 and name HG2#
  or resid 7 and name HG
  or resid 7 and name HB2
  or resid 10 and name HB2
  or resid 25 and name HB#
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 56 and name HB3
  or resid 63 and name HB
  or resid 89 and name HB3
  or resid 96 and name HB2
  or resid 117 and name HE#
  or resid 121 and name HG12
  or resid 166 and name HG
  or resid 194 and name HB
  or resid 200 and name HG
  or resid 213 and name HB2
  or resid 219 and name HG
  ) 3.8 0.8 0.8 volume=0.407 peak=261 ppm1=7.534 ppm2=1.896

assign ( resid 178 and name HD1
  )
       ( resid 45 and name HA2
  or resid 58 and name HA
  or resid 64 and name HA
  or resid 70 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  ) 4.9 1.0 1.0 volume=0.077 peak=262 ppm1=7.640 ppm2=3.977

assign ( resid 178 and name HZ2
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG2#
  or resid 61 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 68 and name HG2#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 142 and name HG1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 240 and name HD1#
  ) 5.2 1.0 1.0 volume=0.163 peak=263 ppm1=7.262 ppm2=0.991

assign ( resid 178 and name HZ2
  )
       ( resid 17 and name H
  or resid 48 and name H
  or resid 63 and name H
  or resid 66 and name H
  or resid 86 and name H
  or resid 95 and name H
  or resid 98 and name H
  or resid 102 and name H
  or resid 111 and name H
  or resid 115 and name H
  or resid 121 and name H
  or resid 131 and name H
  or resid 142 and name H
  or resid 161 and name H
  or resid 165 and name H
  ) 4.8 1.0 1.0 volume=0.088 peak=264 ppm1=7.244 ppm2=8.679

assign ( resid 24 and name HD1
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 46 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG2#
  or resid 68 and name HG1#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 90 and name HD2#
  or resid 104 and name HD1#
  or resid 107 and name HG1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 138 and name HG2#
  or resid 141 and name HD1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 196 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 240 and name HD1#
  ) 5.7 1.1 1.1 volume=0.090 peak=265 ppm1=7.270 ppm2=0.977

assign ( resid 24 and name HD1
  )
       ( resid 23 and name HB#
  or resid 39 and name HG2#
  or resid 46 and name HG12
  or resid 48 and name HB#
  or resid 79 and name HG2#
  or resid 90 and name HB2
  or resid 96 and name HB3
  or resid 121 and name HG13
  or resid 125 and name HB#
  or resid 156 and name HG13
  or resid 159 and name HB2
  or resid 159 and name HG
  or resid 163 and name HB3
  or resid 163 and name HG
  or resid 215 and name HB#
  or resid 216 and name HB#
  or resid 217 and name HB#
  or resid 227 and name HB2
  or resid 240 and name HB2
  ) 4.5 0.9 0.9 volume=0.180 peak=266 ppm1=7.272 ppm2=1.710

assign ( resid 24 and name HB2
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 46 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 90 and name HD2#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 240 and name HD1#
  ) 5.3 1.1 1.1 volume=0.143 peak=267 ppm1=3.524 ppm2=0.985

assign ( resid 51 and name HE#
  )
       ( resid 12 and name H
  or resid 15 and name H
  or resid 35 and name H
  or resid 50 and name H
  or resid 60 and name H
  or resid 77 and name H
  or resid 94 and name H
  or resid 134 and name H
  or resid 137 and name H
  or resid 196 and name H
  or resid 200 and name H
  or resid 202 and name H
  or resid 211 and name H
  or resid 231 and name H
  ) 5.3 1.1 1.1 volume=0.102 peak=268 ppm1=7.148 ppm2=8.515

assign ( resid 85 and name HE#
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 56 and name HD2#
  or resid 61 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 68 and name HG2#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 87 and name HD2#
  or resid 101 and name HG1#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 104 and name HD2#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 142 and name HG1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 166 and name HD2#
  or resid 168 and name HG1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 203 and name HG2#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 240 and name HD2#
  or resid 240 and name HD1#
  ) 4.4 0.9 0.9 volume=0.812 peak=269 ppm1=6.462 ppm2=1.013

assign ( resid 51 and name HE#
  )
       ( resid 37 and name HE#
  or resid 47 and name H
  or resid 82 and name H
  or resid 85 and name HD#
  or resid 124 and name HE#
  or resid 140 and name HE#
  or resid 151 and name HE21
  or resid 178 and name HE3
  ) 4.0 0.8 0.8 volume=0.680 peak=270 ppm1=7.167 ppm2=6.887

assign ( resid 140 and name HD#
  )
       ( resid 23 and name HB#
  or resid 27 and name HG3
  or resid 48 and name HB#
  or resid 64 and name HB#
  or resid 90 and name HB2
  or resid 102 and name HG13
  or resid 104 and name HB3
  or resid 116 and name HB#
  or resid 121 and name HG13
  or resid 125 and name HB#
  or resid 133 and name HB#
  or resid 137 and name HG
  or resid 159 and name HB2
  or resid 159 and name HG
  or resid 163 and name HB3
  or resid 163 and name HG
  or resid 189 and name HG2#
  or resid 200 and name HB3
  or resid 215 and name HB#
  or resid 216 and name HB#
  or resid 219 and name HB3
  or resid 221 and name HB#
  ) 4.6 0.9 0.9 volume=0.320 peak=271 ppm1=7.166 ppm2=1.660

assign ( resid 113 and name HE#
  )
       ( resid 13 and name HB
  or resid 15 and name HE#
  or resid 16 and name HB3
  or resid 56 and name HG
  or resid 61 and name HB
  or resid 62 and name HB3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 168 and name HB
  or resid 180 and name HG
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 4.3 0.9 0.9 volume=0.340 peak=272 ppm1=7.175 ppm2=2.162

assign ( resid 113 and name HE#
  )
       ( resid 4 and name HD1#
  or resid 74 and name HD1#
  or resid 100 and name HG2#
  or resid 108 and name HG1#
  or resid 141 and name HD2#
  ) 4.7 0.9 0.9 volume=0.623 peak=273 ppm1=7.175 ppm2=0.699

assign ( resid 223 and name HA
  )
       ( resid 2 and name H
  or resid 67 and name H
  or resid 69 and name H
  or resid 76 and name H
  or resid 103 and name H
  or resid 113 and name H
  or resid 127 and name H
  or resid 130 and name H
  or resid 132 and name H
  or resid 148 and name H
  or resid 179 and name H
  or resid 181 and name H
  or resid 197 and name H
  or resid 209 and name H
  or resid 222 and name H
  or resid 232 and name H
  or resid 234 and name H
  ) 4.6 0.9 0.9 volume=0.109 peak=274 ppm1=4.900 ppm2=8.102

assign ( resid 223 and name HD2
  )
       ( resid 33 and name HG3
  or resid 33 and name HG2
  or resid 49 and name HB
  or resid 73 and name HB3
  or resid 75 and name HB2
  or resid 86 and name HB3
  or resid 90 and name HB3
  or resid 97 and name HG3
  or resid 122 and name HG2
  or resid 129 and name HG3
  or resid 145 and name HG2
  or resid 145 and name HG3
  or resid 170 and name HB3
  or resid 222 and name HG2
  or resid 225 and name HG2
  or resid 225 and name HG3
  ) 4.2 0.8 0.8 volume=0.192 peak=275 ppm1=7.432 ppm2=2.474

assign ( resid 127 and name HD#
  )
       ( resid 23 and name HB#
  or resid 27 and name HG3
  or resid 46 and name HG12
  or resid 48 and name HB#
  or resid 64 and name HB#
  or resid 79 and name HG2#
  or resid 90 and name HB2
  or resid 104 and name HB3
  or resid 121 and name HG13
  or resid 125 and name HB#
  or resid 133 and name HB#
  or resid 156 and name HG13
  or resid 159 and name HB2
  or resid 159 and name HG
  or resid 163 and name HB3
  or resid 163 and name HG
  or resid 215 and name HB#
  or resid 216 and name HB#
  or resid 217 and name HB#
  or resid 219 and name HB3
  or resid 221 and name HB#
  ) 4.8 1.0 1.0 volume=0.250 peak=276 ppm1=6.458 ppm2=1.683

assign ( resid 127 and name HD#
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 61 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 68 and name HG2#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 87 and name HD2#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 104 and name HD2#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 142 and name HG1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 166 and name HD2#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 203 and name HG2#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 240 and name HD2#
  or resid 240 and name HD1#
  ) 5.3 1.1 1.1 volume=0.273 peak=277 ppm1=6.455 ppm2=1.007

assign ( resid 85 and name HE#
  )
       ( resid 6 and name HB
  or resid 15 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 76 and name HA
  or resid 79 and name HA
  or resid 80 and name HA
  or resid 82 and name HA
  or resid 83 and name HA
  or resid 87 and name HA
  or resid 95 and name HA
  or resid 98 and name HA
  or resid 134 and name HA
  or resid 146 and name HB
  or resid 165 and name HA
  or resid 176 and name HA
  or resid 215 and name HA
  or resid 218 and name HB
  or resid 221 and name HA
  or resid 222 and name HA
  or resid 232 and name HB
  ) 5.3 1.1 1.1 volume=0.097 peak=278 ppm1=6.467 ppm2=4.418

assign ( resid 85 and name HD#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 4.2 0.8 0.8 volume=0.587 peak=279 ppm1=6.897 ppm2=1.408

assign ( resid 85 and name HD#
  )
       ( resid 43 and name HD1#
  or resid 63 and name HG1#
  or resid 83 and name HG2#
  or resid 93 and name HD1#
  or resid 93 and name HB3
  or resid 179 and name HD1#
  or resid 194 and name HG2#
  or resid 200 and name HD2#
  or resid 211 and name HG2#
  or resid 219 and name HD1#
  or resid 219 and name HD2#
  ) 6.3 1.3 1.3 volume=0.089 peak=280 ppm1=6.893 ppm2=0.818

assign ( resid 85 and name HE#
  )
       ( resid 43 and name HD1#
  or resid 63 and name HG1#
  or resid 93 and name HD1#
  or resid 93 and name HD2#
  or resid 93 and name HB3
  or resid 177 and name HD1#
  or resid 179 and name HD1#
  or resid 194 and name HG2#
  or resid 200 and name HD2#
  or resid 219 and name HD1#
  or resid 219 and name HD2#
  ) 5.8 1.2 1.2 volume=0.137 peak=281 ppm1=6.463 ppm2=0.810

assign ( resid 176 and name HD#
  )
       ( resid 2 and name HG1#
  or resid 2 and name HG2#
  or resid 7 and name HB3
  or resid 17 and name HG1#
  or resid 38 and name HG1#
  or resid 41 and name HG1#
  or resid 49 and name HG1#
  or resid 70 and name HG2#
  or resid 74 and name HG12
  or resid 91 and name HB#
  or resid 103 and name HG2#
  or resid 107 and name HG2#
  or resid 121 and name HD1#
  or resid 131 and name HB#
  or resid 132 and name HG1#
  or resid 137 and name HD2#
  or resid 141 and name HB3
  or resid 166 and name HD1#
  or resid 169 and name HG2#
  or resid 170 and name HD2#
  or resid 177 and name HG2#
  or resid 185 and name HG1#
  or resid 192 and name HG1#
  ) 5.8 1.2 1.2 volume=0.128 peak=282 ppm1=7.629 ppm2=1.197

assign ( resid 176 and name HD#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 146 and name HG2#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 232 and name HG2#
  or resid 234 and name HG2#
  ) 4.5 0.9 0.9 volume=0.420 peak=283 ppm1=7.630 ppm2=1.395

assign ( resid 176 and name HE#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 146 and name HG2#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 232 and name HG2#
  or resid 234 and name HG2#
  ) 4.3 0.9 0.9 volume=0.523 peak=284 ppm1=7.428 ppm2=1.396

assign ( resid 176 and name HD#
  )
       ( resid 43 and name HD1#
  or resid 63 and name HG1#
  or resid 77 and name HD1#
  or resid 83 and name HG2#
  or resid 93 and name HD1#
  or resid 93 and name HB3
  or resid 179 and name HD1#
  or resid 194 and name HG2#
  or resid 200 and name HD2#
  or resid 211 and name HG2#
  or resid 219 and name HD1#
  or resid 219 and name HD2#
  ) 5.1 1.0 1.0 volume=0.305 peak=285 ppm1=7.631 ppm2=0.821

assign ( resid 124 and name HE#
  )
       ( resid 44 and name H
  or resid 125 and name H
  or resid 127 and name H
  or resid 129 and name H
  or resid 130 and name H
  or resid 132 and name H
  or resid 148 and name H
  or resid 153 and name H
  or resid 181 and name H
  or resid 186 and name H
  or resid 187 and name H
  or resid 188 and name H
  or resid 197 and name H
  or resid 209 and name H
  or resid 219 and name H
  or resid 220 and name H
  or resid 237 and name H
  ) 5.1 1.0 1.0 volume=0.126 peak=286 ppm1=6.877 ppm2=8.039

assign ( resid 139 and name HE#
  )
       ( resid 34 and name H
  or resid 41 and name H
  or resid 43 and name H
  or resid 52 and name H
  or resid 80 and name H
  or resid 84 and name H
  or resid 97 and name H
  or resid 99 and name H
  or resid 106 and name H
  or resid 107 and name H
  or resid 112 and name H
  or resid 140 and name H
  or resid 143 and name H
  or resid 158 and name H
  or resid 195 and name H
  or resid 223 and name H
  or resid 227 and name H
  or resid 229 and name H
  or resid 238 and name H
  or resid 241 and name H
  ) 4.5 0.9 0.9 volume=0.249 peak=287 ppm1=6.675 ppm2=8.307

assign ( resid 139 and name HD#
  )
       ( resid 3 and name HA3
  or resid 5 and name HA
  or resid 6 and name HA
  or resid 21 and name HA
  or resid 35 and name HA
  or resid 37 and name HA
  or resid 48 and name HA
  or resid 89 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  or resid 110 and name HA
  or resid 120 and name HA2
  or resid 121 and name HA
  or resid 122 and name HA
  or resid 123 and name HA
  or resid 125 and name HA
  or resid 137 and name HA
  or resid 142 and name HA
  or resid 147 and name HA
  or resid 148 and name HA
  or resid 150 and name HA
  or resid 158 and name HA
  or resid 159 and name HA
  or resid 184 and name HA2
  or resid 185 and name HA
  or resid 206 and name HA
  or resid 217 and name HA
  or resid 218 and name HA
  or resid 219 and name HA
  or resid 220 and name HA
  or resid 234 and name HB
  ) 5.3 1.1 1.1 volume=0.094 peak=288 ppm1=6.976 ppm2=4.282

assign ( resid 139 and name HD#
  )
       ( resid 10 and name HB3
  or resid 13 and name HG13
  or resid 13 and name HB
  or resid 16 and name HB3
  or resid 20 and name HG
  or resid 20 and name HB3
  or resid 33 and name HB2
  or resid 40 and name HB3
  or resid 40 and name HG
  or resid 43 and name HB
  or resid 46 and name HG13
  or resid 56 and name HB2
  or resid 58 and name HB
  or resid 62 and name HB3
  or resid 77 and name HG13
  or resid 78 and name HG
  or resid 90 and name HG
  or resid 101 and name HB
  or resid 129 and name HE#
  or resid 135 and name HG13
  or resid 138 and name HB
  or resid 141 and name HB2
  or resid 141 and name HG
  or resid 145 and name HE#
  or resid 159 and name HB3
  or resid 162 and name HB2
  or resid 168 and name HB
  or resid 180 and name HB3
  or resid 188 and name HG
  or resid 196 and name HG
  or resid 196 and name HB2
  or resid 211 and name HB
  or resid 213 and name HB3
  or resid 225 and name HB2
  ) 5.2 1.0 1.0 volume=0.117 peak=289 ppm1=6.973 ppm2=2.098

assign ( resid 139 and name HE#
  or resid 199 and name HE#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 3.3 0.7 0.7 volume=2.361 peak=290 ppm1=6.692 ppm2=1.406

assign ( resid 199 and name HE#
  )
       ( resid 13 and name HB
  or resid 15 and name HE#
  or resid 16 and name HB3
  or resid 56 and name HG
  or resid 62 and name HB3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 90 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 141 and name HB2
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 159 and name HB3
  or resid 168 and name HB
  or resid 180 and name HB3
  or resid 180 and name HG
  or resid 196 and name HB2
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 5.0 1.0 1.0 volume=0.142 peak=291 ppm1=6.693 ppm2=2.150

assign ( resid 199 and name HD#
  )
       ( resid 4 and name HB3
  or resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 114 and name HB#
  or resid 173 and name HG12
  or resid 177 and name HG13
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  or resid 234 and name HG2#
  ) 3.5 0.7 0.7 volume=1.689 peak=292 ppm1=6.999 ppm2=1.406

assign ( resid 113 and name HD#
  )
       ( resid 13 and name HB
  or resid 15 and name HE#
  or resid 56 and name HG
  or resid 61 and name HB
  or resid 62 and name HB3
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 168 and name HB
  or resid 180 and name HG
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 4.5 0.9 0.9 volume=0.266 peak=293 ppm1=7.010 ppm2=2.169

assign ( resid 176 and name HD#
  )
       ( resid 15 and name HE#
  or resid 56 and name HG
  or resid 61 and name HB
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 68 and name HB
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 169 and name HB
  or resid 170 and name HG
  or resid 177 and name HB
  or resid 180 and name HG
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 237 and name HB
  ) 4.7 0.9 0.9 volume=0.202 peak=294 ppm1=7.634 ppm2=2.195

assign ( resid 176 and name HE#
  )
       ( resid 13 and name HB
  or resid 15 and name HE#
  or resid 16 and name HB3
  or resid 56 and name HG
  or resid 61 and name HB
  or resid 62 and name HB3
  or resid 68 and name HB
  or resid 78 and name HG
  or resid 90 and name HG
  or resid 102 and name HB
  or resid 122 and name HB3
  or resid 122 and name HB2
  or resid 126 and name HG
  or resid 126 and name HB3
  or resid 145 and name HE#
  or resid 147 and name HB3
  or resid 147 and name HB2
  or resid 156 and name HB
  or resid 168 and name HB
  or resid 180 and name HG
  or resid 196 and name HB2
  or resid 202 and name HB2
  or resid 202 and name HG
  or resid 213 and name HG
  or resid 213 and name HB3
  or resid 222 and name HB3
  or resid 222 and name HB2
  or resid 225 and name HB2
  ) 5.1 1.0 1.0 volume=0.136 peak=295 ppm1=7.431 ppm2=2.154

assign ( resid 113 and name HD#
  )
       ( resid 22 and name HD#
  or resid 24 and name HD1
  or resid 74 and name H
  or resid 98 and name HZ
  or resid 126 and name H
  or resid 127 and name HE#
  or resid 165 and name HD22
  or resid 176 and name HZ
  or resid 178 and name HZ2
  or resid 184 and name H
  or resid 192 and name H
  or resid 210 and name HE#
  ) 3.6 0.7 0.7 volume=1.099 peak=296 ppm1=7.085 ppm2=7.230

assign ( resid 178 and name HH2
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 46 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 58 and name HG2#
  or resid 68 and name HG1#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 90 and name HD2#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 107 and name HG1#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 240 and name HD1#
  ) 5.8 1.2 1.2 volume=0.077 peak=297 ppm1=6.612 ppm2=0.983

assign ( resid 171 and name HE3
  )
       ( resid 51 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 108 and name HA
  or resid 134 and name HB3
  or resid 134 and name HB2
  or resid 168 and name HA
  or resid 186 and name HA
  or resid 210 and name HB2
  ) 4.9 1.0 1.0 volume=0.081 peak=298 ppm1=7.495 ppm2=3.455

assign ( resid 76 and name HH2
  )
       ( resid 1 and name HE#
  or resid 15 and name HE#
  or resid 61 and name HB
  or resid 65 and name HG2
  or resid 65 and name HG3
  or resid 126 and name HB3
  or resid 169 and name HB
  or resid 170 and name HG
  or resid 177 and name HB
  or resid 180 and name HG
  or resid 192 and name HB
  or resid 225 and name HB3
  or resid 230 and name HB
  or resid 237 and name HB
  ) 5.0 1.0 1.0 volume=0.080 peak=299 ppm1=7.420 ppm2=2.228

assign ( resid 127 and name HD#
  )
       ( resid 27 and name HA
  or resid 39 and name HA
  or resid 45 and name HA2
  or resid 58 and name HA
  or resid 64 and name HA
  or resid 68 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 166 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  or resid 226 and name HB3
  or resid 226 and name HB2
  ) 5.5 1.1 1.1 volume=0.077 peak=300 ppm1=6.461 ppm2=4.013

assign ( resid 113 and name HD#
  )
       ( resid 4 and name HD1#
  or resid 74 and name HD1#
  or resid 100 and name HG2#
  or resid 108 and name HG1#
  or resid 141 and name HD2#
  ) 5.6 1.1 1.1 volume=0.215 peak=301 ppm1=7.014 ppm2=0.692

assign ( resid 223 and name HD2
  )
       ( resid 6 and name HB
  or resid 15 and name HA
  or resid 67 and name HA
  or resid 78 and name HA
  or resid 81 and name HA
  or resid 82 and name HA
  or resid 103 and name HB
  or resid 106 and name HB
  or resid 146 and name HB
  or resid 170 and name HA
  or resid 187 and name HA
  or resid 218 and name HB
  or resid 221 and name HA
  or resid 225 and name HA
  or resid 227 and name HA
  or resid 228 and name HA
  or resid 232 and name HB
  or resid 232 and name HA
  or resid 236 and name HA
  or resid 238 and name HA
  ) 4.9 1.0 1.0 volume=0.080 peak=302 ppm1=7.433 ppm2=4.488

assign ( resid 124 and name HE#
  or resid 140 and name HE#
  )
       ( resid 8 and name HE#
  or resid 36 and name HD#
  or resid 69 and name HZ
  or resid 69 and name HD#
  or resid 86 and name HZ
  or resid 139 and name HE#
  or resid 199 and name HE#
  ) 4.1 0.8 0.8 volume=0.720 peak=303 ppm1=6.881 ppm2=6.693

assign ( resid 73 and name HD#
  )
       ( resid 6 and name H
  or resid 9 and name HE3
  or resid 36 and name H
  or resid 39 and name H
  or resid 49 and name H
  or resid 54 and name H
  or resid 60 and name HZ2
  or resid 75 and name H
  or resid 78 and name H
  or resid 92 and name H
  or resid 159 and name H
  or resid 162 and name H
  or resid 172 and name H
  or resid 205 and name H
  ) 5.6 1.1 1.1 volume=0.071 peak=304 ppm1=7.051 ppm2=7.712

assign ( resid 210 and name HB3
  )
       ( resid 6 and name HG2#
  or resid 13 and name HG12
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 89 and name HB2
  or resid 93 and name HB2
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 135 and name HG12
  or resid 196 and name HB3
  or resid 206 and name HG2#
  or resid 212 and name HB#
  or resid 218 and name HG2#
  ) 4.6 0.9 0.9 volume=0.193 peak=305 ppm1=3.530 ppm2=1.429

assign ( resid 69 and name HA
  )
       ( resid 34 and name HA
  or resid 39 and name HB
  or resid 61 and name HA
  or resid 188 and name HA
  ) 4.8 1.0 1.0 volume=0.088 peak=306 ppm1=5.105 ppm2=4.778

assign ( resid 127 and name HA
  )
       ( resid 2 and name HG1#
  or resid 2 and name HG2#
  or resid 7 and name HB3
  or resid 17 and name HG1#
  or resid 38 and name HG1#
  or resid 41 and name HG1#
  or resid 49 and name HG1#
  or resid 70 and name HG2#
  or resid 74 and name HG12
  or resid 91 and name HB#
  or resid 100 and name HG13
  or resid 103 and name HG2#
  or resid 107 and name HG2#
  or resid 121 and name HD1#
  or resid 131 and name HB#
  or resid 132 and name HG1#
  or resid 137 and name HD2#
  or resid 141 and name HB3
  or resid 166 and name HD1#
  or resid 169 and name HG2#
  or resid 170 and name HD2#
  or resid 177 and name HG2#
  or resid 192 and name HG1#
  or resid 192 and name HG2#
  or resid 198 and name HG2#
  ) 5.2 1.0 1.0 volume=0.121 peak=307 ppm1=3.533 ppm2=1.184

assign ( resid 127 and name HA
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 61 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 68 and name HG2#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 87 and name HD2#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 104 and name HD2#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 142 and name HG1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 166 and name HD2#
  or resid 168 and name HG1#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 203 and name HG2#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 240 and name HD2#
  or resid 240 and name HD1#
  ) 5.3 1.1 1.1 volume=0.137 peak=308 ppm1=3.535 ppm2=1.008

assign ( resid 127 and name HB2
  )
       ( resid 10 and name HD1#
  or resid 13 and name HG2#
  or resid 13 and name HD1#
  or resid 16 and name HD1#
  or resid 16 and name HD2#
  or resid 17 and name HG2#
  or resid 20 and name HD2#
  or resid 20 and name HD1#
  or resid 40 and name HB2
  or resid 43 and name HG2#
  or resid 49 and name HG2#
  or resid 53 and name HG1#
  or resid 61 and name HG2#
  or resid 63 and name HG2#
  or resid 68 and name HG1#
  or resid 68 and name HG2#
  or resid 77 and name HG2#
  or resid 82 and name HD1#
  or resid 87 and name HD1#
  or resid 87 and name HD2#
  or resid 102 and name HD1#
  or resid 102 and name HG2#
  or resid 104 and name HD1#
  or resid 104 and name HD2#
  or resid 110 and name HD1#
  or resid 110 and name HD2#
  or resid 126 and name HD1#
  or resid 126 and name HD2#
  or resid 132 and name HG2#
  or resid 135 and name HD1#
  or resid 135 and name HG2#
  or resid 141 and name HD1#
  or resid 142 and name HG1#
  or resid 156 and name HD1#
  or resid 159 and name HD1#
  or resid 166 and name HD2#
  or resid 168 and name HG2#
  or resid 173 and name HD1#
  or resid 173 and name HG2#
  or resid 180 and name HD2#
  or resid 180 and name HD1#
  or resid 188 and name HD1#
  or resid 188 and name HD2#
  or resid 202 and name HD2#
  or resid 203 and name HG1#
  or resid 203 and name HG2#
  or resid 206 and name HG1#
  or resid 227 and name HD2#
  or resid 227 and name HD1#
  or resid 240 and name HD2#
  or resid 240 and name HD1#
  ) 6.0 1.2 1.2 volume=0.064 peak=309 ppm1=2.576 ppm2=1.007

assign ( resid 134 and name HZ
  )
       ( resid 17 and name HA
  or resid 18 and name HA2
  or resid 18 and name HA3
  or resid 24 and name HB3
  or resid 46 and name HA
  or resid 49 and name HA
  or resid 52 and name HA
  or resid 67 and name HB
  or resid 85 and name HB2
  or resid 91 and name HA
  or resid 114 and name HA
  or resid 128 and name HA3
  or resid 135 and name HA
  or resid 139 and name HB3
  or resid 140 and name HA
  or resid 143 and name HA2
  or resid 164 and name HD3
  or resid 192 and name HA
  or resid 203 and name HA
  or resid 207 and name HA2
  ) 5.1 1.0 1.0 volume=0.061 peak=310 ppm1=7.383 ppm2=3.600

assign ( resid 60 and name HH2
  )
       ( resid 5 and name HB
  or resid 8 and name HA
  or resid 19 and name HA
  or resid 22 and name HA
  or resid 189 and name HB
  or resid 223 and name HA
  or resid 231 and name HA
  or resid 233 and name HA
  ) 5.2 1.0 1.0 volume=0.055 peak=311 ppm1=7.531 ppm2=4.879

assign ( resid 151 and name HA
  )
       ( resid 18 and name H
  or resid 28 and name H
  or resid 44 and name H
  or resid 83 and name H
  or resid 116 and name H
  or resid 120 and name H
  or resid 125 and name H
  or resid 133 and name H
  or resid 136 and name H
  or resid 149 and name H
  or resid 153 and name H
  or resid 170 and name H
  or resid 215 and name H
  or resid 218 and name H
  or resid 220 and name H
  or resid 230 and name H
  or resid 237 and name H
  ) 4.3 0.9 0.9 volume=0.182 peak=312 ppm1=4.557 ppm2=7.966

assign ( resid 1 and name HE#
  )
       ( resid 6 and name HG2#
  or resid 19 and name HG2#
  or resid 27 and name HG2
  or resid 29 and name HB#
  or resid 41 and name HG2#
  or resid 50 and name HB#
  or resid 70 and name HG1#
  or resid 74 and name HG13
  or resid 78 and name HB2
  or resid 108 and name HG2#
  or resid 109 and name HE#
  or resid 114 and name HB#
  or resid 135 and name HG12
  or resid 186 and name HB#
  or resid 200 and name HB2
  or resid 206 and name HG2#
  or resid 212 and name HB#
  ) 4.3 0.9 0.9 volume=0.963 peak=313 ppm1=2.279 ppm2=1.460

assign ( resid 46 and name HG12
  )
       ( resid 9 and name HZ3
  or resid 47 and name H
  or resid 82 and name H
  or resid 85 and name HD#
  or resid 139 and name HD#
  or resid 140 and name HE#
  ) 4.9 1.0 1.0 volume=0.100 peak=314 ppm1=1.795 ppm2=6.934

assign ( resid 1 and name HE#
  )
       ( resid 6 and name H
  or resid 9 and name HE3
  or resid 36 and name H
  or resid 39 and name H
  or resid 49 and name H
  or resid 54 and name H
  or resid 60 and name HZ2
  or resid 75 and name H
  or resid 78 and name H
  or resid 92 and name H
  or resid 108 and name H
  or resid 159 and name H
  or resid 162 and name H
  or resid 172 and name H
  or resid 205 and name H
  ) 5.5 1.1 1.1 volume=0.111 peak=315 ppm1=2.279 ppm2=7.721

assign ( resid 163 and name HD1#
  )
       ( resid 18 and name HA2
  or resid 18 and name HA3
  or resid 22 and name HB3
  or resid 24 and name HB2
  or resid 67 and name HB
  or resid 73 and name HB2
  or resid 74 and name HA
  or resid 85 and name HB2
  or resid 86 and name HB2
  or resid 107 and name HA
  or resid 127 and name HA
  or resid 128 and name HA3
  or resid 164 and name HD3
  or resid 176 and name HB2
  or resid 178 and name HB3
  or resid 178 and name HB2
  or resid 207 and name HA2
  or resid 210 and name HB3
  or resid 223 and name HB3
  ) 5.8 1.2 1.2 volume=0.089 peak=316 ppm1=0.273 ppm2=3.541

assign ( resid 135 and name HB
  or resid 197 and name HB
  )
       ( resid 5 and name HG2#
  or resid 7 and name HG
  or resid 7 and name HB2
  or resid 10 and name HB2
  or resid 25 and name HB#
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 63 and name HB
  or resid 89 and name HB3
  or resid 96 and name HB2
  or resid 117 and name HE#
  or resid 166 and name HG
  or resid 172 and name HB#
  or resid 194 and name HB
  or resid 219 and name HB2
  ) 4.1 0.8 0.8 volume=0.273 peak=317 ppm1=2.374 ppm2=1.904

assign ( resid 135 and name HB
  or resid 197 and name HB
  )
       ( resid 4 and name HG
  or resid 12 and name HB#
  or resid 27 and name HB2
  or resid 39 and name HG2#
  or resid 72 and name HG3
  or resid 72 and name HG2
  or resid 74 and name HB
  or resid 93 and name HG
  or resid 102 and name HG12
  or resid 179 and name HB2
  or resid 179 and name HG
  or resid 180 and name HB2
  or resid 187 and name HG
  or resid 187 and name HB3
  or resid 187 and name HB2
  or resid 197 and name HG13
  or resid 204 and name HG2#
  or resid 227 and name HB3
  or resid 227 and name HB2
  or resid 227 and name HG
  or resid 240 and name HG
  or resid 240 and name HB2
  or resid 240 and name HB3
  ) 4.2 0.8 0.8 volume=0.211 peak=318 ppm1=2.367 ppm2=1.784

assign ( resid 76 and name HH2
  )
       ( resid 49 and name HG1#
  or resid 54 and name HE#
  or resid 74 and name HG12
  or resid 84 and name HG1#
  or resid 89 and name HG
  or resid 91 and name HB#
  or resid 103 and name HG2#
  or resid 121 and name HD1#
  or resid 131 and name HB#
  or resid 137 and name HD1#
  or resid 137 and name HD2#
  or resid 141 and name HB3
  or resid 156 and name HG12
  or resid 166 and name HD1#
  or resid 169 and name HG2#
  or resid 177 and name HG2#
  or resid 185 and name HG1#
  or resid 185 and name HG2#
  or resid 191 and name HG2#
  or resid 211 and name HG12
  ) 5.7 1.1 1.1 volume=0.064 peak=319 ppm1=7.426 ppm2=1.240

assign ( resid 15 and name HE#
  )
       ( resid 36 and name HB2
  or resid 51 and name HB3
  or resid 94 and name HB2
  or resid 105 and name HB3
  or resid 231 and name HB3
  or resid 239 and name HB3
  ) 5.0 1.0 1.0 volume=0.198 peak=320 ppm1=2.198 ppm2=2.911

assign ( resid 15 and name HE#
  )
       ( resid 13 and name HA
  or resid 42 and name HA3
  or resid 51 and name HA
  or resid 156 and name HA
  or resid 160 and name HA
  or resid 177 and name HA
  or resid 197 and name HA
  or resid 200 and name HA
  or resid 207 and name HA3
  or resid 208 and name HA
  or resid 211 and name HA
  ) 5.6 1.1 1.1 volume=0.107 peak=321 ppm1=2.194 ppm2=3.856

assign ( resid 15 and name HE#
  )
       ( resid 14 and name HA2
  or resid 14 and name HA3
  or resid 38 and name HA
  or resid 57 and name HA2
  or resid 57 and name HA3
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 72 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 84 and name HA
  or resid 88 and name HA2
  or resid 88 and name HA3
  or resid 100 and name HA
  or resid 113 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 191 and name HA
  ) 5.6 1.1 1.1 volume=0.105 peak=322 ppm1=2.197 ppm2=3.738

assign ( resid 15 and name HE#
  )
       ( resid 9 and name HB3
  or resid 14 and name HA2
  or resid 14 and name HA3
  or resid 24 and name HB3
  or resid 42 and name HA2
  or resid 43 and name HA
  or resid 46 and name HA
  or resid 53 and name HA
  or resid 59 and name HA2
  or resid 59 and name HA3
  or resid 60 and name HB2
  or resid 77 and name HA
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 91 and name HA
  or resid 128 and name HA2
  or resid 132 and name HA
  or resid 136 and name HA3
  or resid 140 and name HA
  ) 5.6 1.1 1.1 volume=0.100 peak=323 ppm1=2.189 ppm2=3.678

assign ( resid 15 and name HE#
  )
       ( resid 51 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 108 and name HA
  or resid 134 and name HB3
  or resid 134 and name HB2
  or resid 168 and name HA
  or resid 186 and name HA
  or resid 210 and name HB2
  ) 5.3 1.1 1.1 volume=0.138 peak=324 ppm1=2.198 ppm2=3.457

assign ( resid 15 and name HE#
  )
       ( resid 17 and name HB
  or resid 62 and name HB2
  or resid 65 and name HB3
  or resid 65 and name HB2
  or resid 84 and name HB
  or resid 107 and name HB
  or resid 135 and name HB
  or resid 137 and name HB3
  or resid 142 and name HB
  or resid 147 and name HG2
  or resid 147 and name HG3
  or resid 197 and name HB
  or resid 198 and name HB
  or resid 202 and name HB3
  or resid 222 and name HG3
  or resid 241 and name HG2
  or resid 241 and name HG3
  ) 4.3 0.9 0.9 volume=0.516 peak=325 ppm1=2.198 ppm2=2.368

assign ( resid 76 and name HZ2
  )
       ( resid 4 and name HG
  or resid 12 and name HB#
  or resid 27 and name HB2
  or resid 39 and name HG2#
  or resid 46 and name HG12
  or resid 72 and name HG3
  or resid 72 and name HG2
  or resid 93 and name HG
  or resid 96 and name HB3
  or resid 102 and name HG12
  or resid 156 and name HG13
  or resid 179 and name HB2
  or resid 187 and name HG
  or resid 187 and name HB3
  or resid 197 and name HG13
  or resid 204 and name HG2#
  or resid 217 and name HB#
  or resid 227 and name HB3
  or resid 227 and name HB2
  or resid 227 and name HG
  or resid 240 and name HG
  or resid 240 and name HB2
  or resid 240 and name HB3
  ) 5.1 1.0 1.0 volume=0.066 peak=326 ppm1=7.777 ppm2=1.768

assign ( resid 109 and name HE#
  )
       ( resid 4 and name HB2
  or resid 10 and name HB3
  or resid 13 and name HG13
  or resid 20 and name HG
  or resid 20 and name HB3
  or resid 40 and name HB3
  or resid 43 and name HB
  or resid 46 and name HB
  or resid 46 and name HG13
  or resid 47 and name HB#
  or resid 56 and name HB2
  or resid 58 and name HB
  or resid 77 and name HG13
  or resid 77 and name HB
  or resid 100 and name HB
  or resid 101 and name HB
  or resid 110 and name HB2
  or resid 110 and name HG
  or resid 129 and name HE#
  or resid 162 and name HB3
  or resid 162 and name HB2
  or resid 211 and name HG13
  or resid 211 and name HB
  or resid 241 and name HB3
  or resid 241 and name HB2
  ) 4.0 0.8 0.8 volume=0.837 peak=327 ppm1=1.454 ppm2=2.025

assign ( resid 109 and name HE#
  )
       ( resid 105 and name HD22
  ) 5.5 1.1 1.1 volume=0.117 peak=328 ppm1=1.456 ppm2=5.907

assign ( resid 204 and name HG2#
  )
       ( resid 10 and name H
  or resid 19 and name H
  or resid 34 and name H
  or resid 53 and name H
  or resid 55 and name H
  or resid 96 and name H
  or resid 97 and name H
  or resid 104 and name H
  or resid 107 and name H
  or resid 180 and name H
  or resid 195 and name H
  or resid 203 and name H
  or resid 214 and name H
  or resid 224 and name H
  or resid 226 and name H
  or resid 227 and name H
  or resid 236 and name H
  ) 5.6 1.1 1.1 volume=0.107 peak=329 ppm1=1.815 ppm2=8.391

assign ( resid 178 and name HH2
  )
       ( resid 51 and name HA
  or resid 70 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 92 and name HA2
  or resid 92 and name HA3
  or resid 103 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 136 and name HA2
  or resid 145 and name HA
  or resid 195 and name HA
  ) 5.0 1.0 1.0 volume=0.068 peak=330 ppm1=6.628 ppm2=3.932

assign ( resid 178 and name HH2
  )
       ( resid 2 and name HA
  or resid 3 and name HA3
  or resid 5 and name HA
  or resid 6 and name HA
  or resid 24 and name HA
  or resid 29 and name HA
  or resid 37 and name HA
  or resid 79 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  or resid 110 and name HA
  or resid 120 and name HA2
  or resid 121 and name HA
  or resid 123 and name HA
  or resid 125 and name HA
  or resid 142 and name HA
  or resid 158 and name HA
  or resid 184 and name HA2
  or resid 185 and name HA
  or resid 217 and name HA
  or resid 220 and name HA
  or resid 230 and name HA
  or resid 234 and name HB
  or resid 240 and name HA
  or resid 241 and name HA
  ) 5.0 1.0 1.0 volume=0.068 peak=331 ppm1=6.615 ppm2=4.323

assign ( resid 178 and name HD1
  )
       ( resid 3 and name HA2
  or resid 10 and name HA
  or resid 20 and name HA
  or resid 23 and name HA
  or resid 30 and name HA3
  or resid 30 and name HA2
  or resid 40 and name HA
  or resid 79 and name HB
  or resid 90 and name HA
  or resid 93 and name HA
  or resid 95 and name HB3
  or resid 95 and name HB2
  or resid 124 and name HA
  or resid 126 and name HA
  or resid 158 and name HB2
  or resid 162 and name HA
  or resid 167 and name HB
  or resid 172 and name HA
  or resid 173 and name HA
  or resid 179 and name HA
  or resid 181 and name HA3
  or resid 181 and name HA2
  or resid 198 and name HA
  or resid 201 and name HA
  or resid 202 and name HA
  or resid 204 and name HA
  or resid 212 and name HA
  or resid 224 and name HA2
  or resid 224 and name HA3
  or resid 229 and name HA2
  or resid 229 and name HA3
  or resid 237 and name HA
  ) 5.0 1.0 1.0 volume=0.066 peak=332 ppm1=7.629 ppm2=4.175

assign ( resid 178 and name HH2
  )
       ( resid 26 and name HA2
  or resid 27 and name HD2
  or resid 66 and name HD3
  or resid 66 and name HD2
  or resid 69 and name HB3
  or resid 75 and name HB3
  or resid 94 and name HB3
  or resid 98 and name HB2
  or resid 124 and name HB2
  or resid 127 and name HB3
  or resid 152 and name HD3
  or resid 161 and name HA
  or resid 164 and name HD2
  or resid 165 and name HB3
  or resid 201 and name HB3
  or resid 208 and name HB2
  ) 5.4 1.1 1.1 volume=0.046 peak=333 ppm1=6.623 ppm2=3.210

assign ( resid 178 and name HH2
  )
       ( resid 2 and name HG1#
  or resid 2 and name HG2#
  or resid 7 and name HB3
  or resid 17 and name HG1#
  or resid 38 and name HG1#
  or resid 41 and name HG1#
  or resid 53 and name HG2#
  or resid 61 and name HG1#
  or resid 70 and name HG2#
  or resid 77 and name HG12
  or resid 83 and name HD1#
  or resid 90 and name HD1#
  or resid 100 and name HG13
  or resid 107 and name HG2#
  or resid 118 and name HG1#
  or resid 118 and name HG2#
  or resid 132 and name HG1#
  or resid 149 and name HB#
  or resid 156 and name HG2#
  or resid 170 and name HD2#
  or resid 187 and name HD2#
  or resid 187 and name HD1#
  or resid 192 and name HG1#
  or resid 192 and name HG2#
  or resid 197 and name HD1#
  or resid 198 and name HG2#
  or resid 213 and name HD1#
  or resid 213 and name HD2#
  or resid 230 and name HG1#
  or resid 237 and name HG2#
  ) 5.9 1.2 1.2 volume=0.062 peak=334 ppm1=6.614 ppm2=1.131

assign ( resid 178 and name HE3
  )
       ( resid 49 and name HG1#
  or resid 54 and name HE#
  or resid 74 and name HG12
  or resid 89 and name HG
  or resid 91 and name HB#
  or resid 103 and name HG2#
  or resid 121 and name HD1#
  or resid 131 and name HB#
  or resid 137 and name HD1#
  or resid 137 and name HD2#
  or resid 141 and name HB3
  or resid 156 and name HG12
  or resid 166 and name HD1#
  or resid 169 and name HG2#
  or resid 177 and name HG2#
  or resid 185 and name HG1#
  or resid 191 and name HG2#
  or resid 211 and name HG12
  ) 5.7 1.1 1.1 volume=0.059 peak=335 ppm1=6.865 ppm2=1.224

assign ( resid 80 and name HG2#
  )
       ( resid 97 and name HG2
  or resid 108 and name HB
  or resid 129 and name HG2
  or resid 151 and name HG2
  or resid 201 and name HB2
  or resid 206 and name HB
  ) 6.1 1.2 1.2 volume=0.063 peak=336 ppm1=0.454 ppm2=2.656

assign ( resid 80 and name HG2#
  )
       ( resid 36 and name HB3
  or resid 51 and name HB3
  or resid 94 and name HB2
  or resid 105 and name HB3
  or resid 140 and name HB3
  or resid 239 and name HB3
  ) 6.2 1.2 1.2 volume=0.057 peak=337 ppm1=0.450 ppm2=2.959

assign ( resid 108 and name HG2#
  )
       ( resid 36 and name HB3
  or resid 51 and name HB3
  or resid 94 and name HB2
  or resid 105 and name HB3
  or resid 140 and name HB3
  ) 6.0 1.2 1.2 volume=0.067 peak=338 ppm1=1.492 ppm2=2.960

assign ( resid 109 and name HE#
  )
       ( resid 36 and name HB2
  or resid 51 and name HB3
  or resid 94 and name HB2
  or resid 105 and name HB3
  or resid 140 and name HB3
  or resid 231 and name HB3
  or resid 239 and name HB3
  ) 4.4 0.9 0.9 volume=0.471 peak=339 ppm1=1.456 ppm2=2.932

assign ( resid 178 and name HE3
  )
       ( resid 27 and name HA
  or resid 39 and name HA
  or resid 45 and name HA2
  or resid 58 and name HA
  or resid 64 and name HA
  or resid 70 and name HA
  or resid 73 and name HA
  or resid 75 and name HA
  or resid 102 and name HA
  or resid 104 and name HA
  or resid 111 and name HA
  or resid 115 and name HA2
  or resid 115 and name HA3
  or resid 131 and name HA
  or resid 136 and name HA2
  or resid 149 and name HA
  or resid 174 and name HA
  or resid 195 and name HA
  ) 5.0 1.0 1.0 volume=0.066 peak=340 ppm1=6.874 ppm2=3.995

assign ( resid 178 and name HB3
  or resid 178 and name HB2
  )
       ( resid 6 and name H
  or resid 24 and name HE3
  or resid 24 and name HZ2
  or resid 49 and name H
  or resid 54 and name H
  or resid 78 and name H
  or resid 105 and name HD21
  or resid 165 and name HD21
  or resid 176 and name HD#
  or resid 178 and name HD1
  ) 5.1 1.0 1.0 volume=0.067 peak=341 ppm1=3.514 ppm2=7.654

assign ( resid 178 and name HH2
  )
       ( resid 2 and name H
  or resid 127 and name H
  or resid 129 and name H
  or resid 130 and name H
  or resid 132 and name H
  or resid 148 and name H
  or resid 181 and name H
  or resid 186 and name H
  or resid 187 and name H
  or resid 188 and name H
  or resid 197 and name H
  or resid 209 and name H
  or resid 219 and name H
  ) 4.9 1.0 1.0 volume=0.074 peak=342 ppm1=6.630 ppm2=8.066

assign ( resid 178 and name HH2
  )
       ( resid 2 and name H
  or resid 44 and name H
  or resid 127 and name H
  or resid 129 and name H
  or resid 130 and name H
  or resid 132 and name H
  or resid 148 and name H
  or resid 153 and name H
  or resid 181 and name H
  or resid 186 and name H
  or resid 187 and name H
  or resid 188 and name H
  or resid 197 and name H
  or resid 209 and name H
  or resid 219 and name H
  or resid 220 and name H
  or resid 237 and name H
  ) 5.0 1.0 1.0 volume=0.066 peak=343 ppm1=6.607 ppm2=8.041

assign ( resid 178 and name HB3
  or resid 178 and name HB2
  )
       ( resid 8 and name HD#
  or resid 22 and name HE#
  or resid 22 and name HD#
  or resid 24 and name HZ3
  or resid 51 and name HE#
  or resid 60 and name HD1
  or resid 74 and name H
  or resid 113 and name HE#
  or resid 126 and name H
  or resid 127 and name HE#
  or resid 140 and name HD#
  or resid 165 and name HD22
  or resid 184 and name H
  ) 5.6 1.1 1.1 volume=0.047 peak=344 ppm1=3.523 ppm2=7.178

assign ( resid 91 and name HA
  )
       ( resid 7 and name H
  or resid 40 and name H
  or resid 51 and name HD#
  or resid 60 and name HH2
  or resid 98 and name HE#
  or resid 105 and name HD21
  or resid 109 and name H
  or resid 151 and name H
  or resid 152 and name H
  or resid 156 and name H
  or resid 166 and name H
  or resid 171 and name HD1
  or resid 174 and name H
  or resid 176 and name H
  or resid 199 and name H
  or resid 210 and name HD#
  ) 5.2 1.0 1.0 volume=0.061 peak=345 ppm1=3.646 ppm2=7.557

assign ( resid 166 and name HD1#
  )
       ( resid 3 and name H
  or resid 17 and name H
  or resid 48 and name H
  or resid 63 and name H
  or resid 66 and name H
  or resid 86 and name H
  or resid 87 and name H
  or resid 95 and name H
  or resid 98 and name H
  or resid 102 and name H
  or resid 111 and name H
  or resid 115 and name H
  or resid 121 and name H
  or resid 142 and name H
  or resid 157 and name H
  or resid 161 and name H
  or resid 165 and name H
  or resid 213 and name H
  ) 5.9 1.2 1.2 volume=0.077 peak=346 ppm1=1.195 ppm2=8.660

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