NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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11025 |
1qrj   |
4311 | cing | 1-original | 13 | DYANA/DIANA | distance | NOE | simple |
#------------ Main Chain ---------------------------- #144NH is weak 144 TYR HA 144 TYR HN 3.3 # weak plane 144 TYR HA 145 HIS+ HN 5.0 # 144 TYR HN 145 HIS+ HN 3.3 #from 2.9 144 TYR HN 146 ALA HN 5.0 # 144 TYR HA 146 ALA HN 5.0 # 144 TYR HN 147 PHE HN 5.5 #noin3d 144 TYR HA 147 PHE HN 5.0 # #144 TYR HA 147 PHE HB 3.3 # no3d,no4d 147 QB IS VW #144 TYR HA 148 VAL HN 5.0 # not present #------------ Side Chain ---------------------------- 144 TYR HA 144 TYR HD1 3.3 #2d is 3.3, 3d is 5.0 144 TYR HA 144 TYR HE1 5.5 #3d 144 TYR QB 144 TYR HD1 5.0 #2d 144 TYR HD1 145 HIS+ HN 3.3 # 144 TYR HA 147 PHE HD1 3.3#3d, 2d is med 144 TYR HD1 147 PHE HD1 3.3#3d 144 TYR HA 148 VAL QG2 5.5 #< 144 TYR HD1 148 VAL QG2 5.5 #< 144 TYR HE1 148 VAL QG2 5.5 #< #------------ Main Chain ---------------------------- 145 HIS+ HA 145 HIS+ HN 5.0 # 145 HIS+ HN 145 HIS+ HD2 5.0 # 145 HIS+ HA 146 ALA HN 5.5 # 145 HIS+ HN 146 ALA HN 2.9 # 145 HIS+ HN 147 PHE HN 5.0 # 145 HIS+ HN 148 VAL HN 5.0 # 145 HIS+ HA 148 VAL HN 5.0 # 145 HIS+ HA 148 VAL HB 3.3 # 145 HIS+ HA 149 GLU- HN 5.0 # #------------ Side Chain ---------------------------- #145 HIS+ HD2 146 ALA HA 5.00 1.00E+00#sd 145 HIS+ HD2 146 ALA QB 5.50 1.00E+00 145 HIS+ HD2 146 ALA HN 5.00 1.00E+00 145 HIS+ HA 148 VAL QG2 3.30 1.00E+00 # #@ 145 HIS+ HA 148 VAL QG1 5.00 1.00E+00 # #@ 145 HIS+ QB 148 VAL QG2 5.00 1.00E+00 # #@ #------------ Main Chain ---------------------------- #Still aliphatics to assign!! 146 ALA HA 146 ALA HN 5.0 # #146 ALA HA 147 PHE HN 5.5 # 146 ALA HN 147 PHE HN 2.9 # 146 ALA HN 148 VAL HN 5.0 # 146 ALA HN 149 GLU- HN 5.0 # 146 ALA HA 149 GLU- HN 5.0 # 146 ALA HA 149 GLU- QB 3.3 # 146 ALA HA 150 ARG+ HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 147 PHE HA 147 PHE HN 5.0 # 147 PHE HA 148 VAL HN 5.5 # 147 PHE HN 148 VAL HN 2.9 # 147 PHE HN 149 GLU- HN 5.0 # 147 PHE HN 150 ARG+ HN 5.5 #sd 147 PHE HA 150 ARG+ HN 5.0 # #147 PHE HA 150 ARG+ HB 3.3 # NOT PRESENT 147 PHE HA 151 LEU HN 5.0 # #------------ Side Chain ---------------------------- 147 PHE HD1 147 PHE HN 5.00 1.00E+00# 147 PHE HD1 148 VAL HN 3.30 1.00E+00# 147 PHE QB 148 VAL HN 5.50 1.00E+00 #------------ Main Chain ---------------------------- 148 VAL HA 148 VAL HN 5.0 # 148 VAL HN 148 VAL QG1 5.5 #> 148 VAL HN 148 VAL QG2 3.3 #< 148 VAL QG1 149 GLU- HN 5.5 #= 148 VAL QG2 149 GLU- HN 5.5 #= 148 VAL HA 149 GLU- HN 5.0 # 148 VAL HN 149 GLU- HN 2.9 # 148 VAL HN 150 ARG+ HN 5.0 # 148 VAL HN 151 LEU HN 5.0 # 148 VAL HA 151 LEU HN 5.0 # 148 VAL HA 151 LEU HB2 3.3 # 148 VAL HA 151 LEU HB3 3.3 # 148 VAL HA 152 ASN HN 5.0 # #------------ Side Chain (ss=>QG1:0.78/22.5,QG2:0.37/23.0)---------------------------- 148 VAL QG1 152 ASN HN 5.00 1.00E+00#< #------------ Main Chain ---------------------------- 149 GLU- HA 149 GLU- HN 3.3 # #149 GLU- HA 150 ARG+ HN 5.0 # 149 GLU- HN 150 ARG+ HN 2.9 # 149 GLU- HN 151 LEU HN 5.0 # 149 GLU- HN 152 ASN HN 5.0 # 149 GLU- HA 152 ASN HN 5.0 # 149 GLU- HA 152 ASN HB2 3.8 #sd 149 GLU- HA 152 ASN HB3 3.8 #sd 149 GLU- HA 153 ILE HN 5.0 # #------------ Side Chain ---------------------------- 149 GLU- QG 153 ILE QD1 5.00 1.00E+00 #------------ Main Chain ---------------------------- 150 ARG+ HA 150 ARG+ HN 3.3 # #150 ARG+ HA 151 LEU HN 5.0 # 150 ARG+ HN 151 LEU HN 2.9 # 150 ARG+ HN 152 ASN HN 5.0 # 150 ARG+ HN 153 ILE HN 5.0 # 150 ARG+ HA 153 ILE HN 5.0 # #150 ARG+ HA 153 ILE HB 3.3 # NOT PRESENT 150 ARG+ HA 154 ALA HN 5.0 # #------------ Side Chain ---------------------------- 150 ARG+ HA 153 ILE HB 5.00 1.00E+00 150 ARG+ HA 153 ILE QD1 3.30 1.00E+00 150 ARG+ HA 153 ILE QG2 5.00 1.00E+00 #------------ Main Chain ---------------------------- 151 LEU HA 151 LEU HN 3.3 # #151 LEU HA 152 ASN HN 5.5 # 151 LEU HN 152 ASN HN 2.9 # 151 LEU HN 153 ILE HN 5.0 # 151 LEU HN 154 ALA HN 5.0 # 151 LEU HA 154 ALA HN 5.0 # 151 LEU HA 154 ALA QB 3.3 # #151 LEU HG 154 ALA QB 5.5 #sd 151 LEU QD2 154 ALA QB 5.0 #rare #151 LEU QD1 154 ALA QB 5.0 #rare,sd 151 LEU HA 155 LEU HN 5.0 # #------ Side Chain (REVss=>qd1=0.53/25.01;qd2=0.79;25.04---- #151 LEU QD1 155 LEU QD2 5.5 #sd 151 LEU QD1 155 LEU QD1 5.0 #ov 151 LEU QD2 155 LEU QD1 5.0 #ov 151 LEU HG 155 LEU QD1 5.0 # #------------ Main Chain ---------------------------- 152 ASN HA 152 ASN HN 3.3 # #152 ASN HA 153 ILE HN 5.0 # 152 ASN HN 153 ILE HN 2.9 # 152 ASN HN 154 ALA HN 5.0 # 152 ASN HN 155 LEU HN 5.0 # 152 ASN HA 155 LEU HN 5.0 # #152 ASN HA 155 LEU QB 5.0 # VW,absent!! 152 ASN HA 156 ASP- HN 5.0 # #------------ Side Chain ---------------------------- #152 ASN HA 155 LEU HA 5.50 # 152 ASN HA 155 LEU HG 5.50 # #152 ASN HB3 155 LEU HG 5.50 #sd 152 ASN HA 155 LEU QD1 5.00 #< #152 ASN HA 155 LEU QD2 5.50 #> #------------ Main Chain ---------------------------- 153 ILE HA 153 ILE HN 3.3 # #153 ILE HA 154 ALA HN 5.0 # <5.0 153 ILE HN 154 ALA HN 2.9 # 153 ILE HN 155 LEU HN 5.0 # 153 ILE HN 156 ASP- HN 5.0 # 153 ILE HA 156 ASP- HN 5.0 # 153 ILE HA 156 ASP- HB2 3.3 # 153 ILE HA 156 ASP- HB3 3.3 # #------------ Side Chain ---------------------------- 153 ILE QG2 154 ALA HA 3.80 1.00E+00#sd 153 ILE QG2 154 ALA QB 5.00 1.00E+00 153 ILE QG2 155 LEU HN 5.00 # 153 ILE QG2 157 ASN QB 5.00 #sd 153 ILE QG2 157 ASN HD21 3.30 # 153 ILE QG2 157 ASN HD22 3.30 # #------------ Main Chain ---------------------------- 154 ALA HA 154 ALA HN 3.3 # #154 ALA HA 155 LEU HN # None # 154 ALA HN 155 LEU HN 2.9 # 154 ALA HN 156 ASP- HN 5.0 # 154 ALA HN 157 ASN HN 5.5 # added new , vw 154 ALA HA 157 ASN HN 5.0 # added new 154 ALA QB 157 ASN QB 5.5 # 154 ALA HA 157 ASN QB 3.30 1.00E+00 154 ALA HA 157 ASN HD21 5.50 1.00E+00 154 ALA HA 157 ASN HD22 5.00 1.00E+00 #------------ Side Chain ---------------------------- 154 ALA QB 155 LEU HN 3.30 # 154 ALA QB 155 LEU QB 5.50 #sd 154 ALA QB 155 LEU HA 5.50 # #154 ALA QB 155 LEU QD2 5.50 #sdviaha155 154 ALA QB 156 ASP- HN 5.50 # #------------ Main Chain ---------------------------- 155 LEU HA 155 LEU HN 5.0 # #155 LEU HA 155 LEU QD1 5.0 #>sd #155 LEU HA 155 LEU QD2 3.3 #QD1=0.62/26.9;QD2=-0.04/22.5)--- 155 LEU HA 159 LEU HG 5.00 1.00E+00 #155 LEU HA 159 LEU QD1 5.00 1.00E+00#sd 155 LEU HA 159 LEU QD2 5.00 1.00E+00 155 LEU QD2 159 LEU QD1 3.80 1.00E+00 155 LEU QD2 159 LEU QD2 2.90 1.00E+00 155 LEU QD2 159 LEU HG 3.80 1.00E+00#maybe3.3 155 LEU QD1 159 LEU HG 5.00 1.00E+00#over,maybe3.3 #155 LEU QD1 159 LEU QD1 5.50 1.00E+00#over,sd 155 LEU QD1 159 LEU QD2 5.00 1.00E+00#over #155 LEU HG 159 LEU QD1 3.80 1.00E+00#ov 155 LEU HG 159 LEU QD2 5.50 1.00E+00 #------------ Main Chain ---------------------------- 156 ASP- HA 156 ASP- HN 3.3 # 156 ASP- HA 157 ASN HN 5.0 #<5.0 156 ASP- HN 157 ASN HN 2.9 # 156 ASP- HA 158 GLY HN 5.0 # 156 ASP- HN 158 GLY HN 5.0 # 156 ASP- HN 159 LEU HN 5.5 #sd 156 ASP- HA 159 LEU HN 5.0 # #156 ASP- HA 159 LEU QB #n.o. #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 157 ASN HA 157 ASN HN 3.3 # 157 ASN HN 157 ASN HD21 5.0 #3d 157 ASN HN 157 ASN HD22 5.0 #3d 157 ASN HA 157 ASN HD21 5.0 # 157 ASN HA 157 ASN HD22 5.0 # 157 ASN HA 158 GLY HN 5.0 # 157 ASN HN 158 GLY HN 2.90 1.00E+00 157 ASN HN 159 LEU HN 5.00 1.00E+00 #157 ASN HD22 158 GLY HN 5.5 #3d #------------ Main Chain -(REVss=>ha1=3.94/ha2=4.59)--- 158 GLY HA1 158 GLY HN 3.3 # 158 GLY HA2 158 GLY HN 3.3 # 158 GLY HA1 159 LEU HN 5.0 # <5.0 # 158 GLY HA2 159 LEU HN 5.0 # <5.0 # 158 GLY HN 159 LEU HN 2.90 1.00E+00 ################################################ #~~~~~~~~~~~~~LOOP-V (159-164)~~~~~~~~~~~ ################################################ #~~~~~~~~~~PRO160 is trans~~~~~~~~~~~ #although 159 ha is under h2o, and hd2/3 are very weak, #but all consistent. 159 LEU HA 160 PRO HD2 3.30 1.00E+00 159 LEU HA 160 PRO HD3 3.30 1.00E+00 159 LEU HA 159 LEU HN 5.0 # <5.0 #159 LEU HN 159 LEU QD1 5.0 #>nonsense #159 LEU HN 159 LEU QD2 3.8 # qd1:0.69/25.89;qd2:0.64/23.68) 159 LEU QD1 160 PRO HD2 5.50 1.00E+00 159 LEU QD2 160 PRO HD3 5.00 1.00E+00 159 LEU QD2 160 PRO QG 5.50 1.00E+00 159 LEU QD1 163 THR HB 5.00 1.00E+00 #159 LEU QD2 163 THR HB 5.00 1.00E+00#sd 159 LEU QD1 163 THR QG2 3.30 1.00E+00 159 LEU QD2 163 THR QG2 5.00 1.00E+00#sd 159 LEU QD1 163 THR HN 5.50 1.00E+00#sd #159 LEU QD2 163 THR HN 5.50 1.00E+00#sd,comp 160 PRO HA 161 GLU- HN 2.70 #was 3.3 160 PRO HB2 161 GLU- HN 5.00 1.00E+00#3.3to5.0 160 PRO HB3 161 GLU- HN 5.00 1.00E+00#3.3to5.0 160 PRO QG 161 GLU- HN 5.0 1.00E+00 # sk:7/9 #160 PRO HB2 163 THR HN 5.5 1.00E+00 #sd 160 PRO HB3 163 THR HN 5.0 1.00E+00 # 160 PRO QG 163 THR HN 5.0 1.00E+00 # 160 PRO QG 163 THR QG2 5.0 1.00E+00 # 160 PRO QG 163 THR HB 5.5 1.00E+00 # #160 PRO HB2 163 THR QG2 5.5 1.00E+00 # 160 PRO HB3 163 THR QG2 5.5 1.00E+00 #sd #160 PRO HB2 163 THR HB 5.5 1.00E+00 #no 160 PRO HB3 163 THR HB 5.5 1.00E+00 # 161 GLU- HA 161 GLU- HN 3.3 # <3.3 # 161 GLU- HA 162 GLY HN 2.70 # 161 GLU- QB 162 GLY HN 3.30 1.00E+00 #expsch161 GLU- QG 162 GLY HN 3.30 1.00E+00 #161 GLU- HN 162 GLY HN 5.50 1.00E+00 161 GLU- HA 163 THR HN 3.80 1.00E+00#3_10 161 GLU- HN 163 THR HN 5.00 1.00E+00 161 GLU- QB 163 THR HN 5.00 1.00E+00 #expSCH161 GLU- QG 163 THR HN 5.00 1.00E+00 162 GLY HA1 162 GLY HN 3.3 # 162 GLY HA2 162 GLY HN 3.3 # 162 GLY HA1 163 THR HN 3.3 # 162 GLY HA2 163 THR HN 5.0 # 162 GLY HN 163 THR HN 2.90 1.00E+00 #162 GLY HN 163 THR HB 5.50 1.00E+00#sd ##***PRO164 suspicious overlap with 32 ha on 2d 163 THR HA 163 THR HN 2.7 # 163 THR HB 163 THR HN 2.7 # #$$$$$$$$---PRO164 is TRANS---$$$$$$$# 163 THR HA 164 PRO HD2 3.30 1.00E+00 163 THR HA 164 PRO HD3 3.30 1.00E+00 163 THR QG2 164 PRO HD3 5.00 1.00E+00 163 THR QG2 164 PRO HD2 5.00 1.00E+00 163 THR QG2 165 LYS+ HN 5.50 1.00E+00 #163 THR QG2 166 ASP- HN 5.00 1.00E+00#no 163 THR HB 164 PRO HD3 5.50 1.00E+00 163 THR HB 164 PRO HD2 5.50 1.00E+00 163 THR QG2 164 PRO HA 5.50 1.00E+00 163 THR QG2 164 PRO HB2 5.50 1.00E+00 163 THR QG2 164 PRO HB3 5.50 1.00E+00 163 THR QG2 164 PRO QG 5.50 1.00E+00 164 PRO HA 165 LYS+ HN 2.7 # 164 PRO HB2 165 LYS+ HN 5.00 1.00E+00#sd 164 PRO HB3 165 LYS+ HN 5.00 1.00E+00# 164 PRO HA 166 ASP- HN 5.5 # 164 PRO HB2 168 ILE HN 5.0 #3d,no4d,sd #164 PRO HB3 168 ILE HN 5.0 #3d,no4d,over
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