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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11029 |
1qrj   |
4311 | cing | 1-original | 17 | DYANA/DIANA | distance | NOE | simple |
#------------ Main Chain ---------------------------- 179 LYS+ HA 179 LYS+ HN 3.3 # 179 LYS+ HA 180 GLU- HN 5.0 # 179 LYS+ HN 180 GLU- HN 3.3 # 179 LYS+ HN 181 CYS HN 3.8 #sd 179 LYS+ HN 182 GLN HN 5.0 # 179 LYS+ HA 182 GLN HN 5.0 # 179 LYS+ HA 182 GLN HB2 5.0 # # sk:7/9 179 LYS+ HA 182 GLN HB3 3.3 # # sk:7/9 179 LYS+ HA 183 LYS+ HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 180 GLU- HA 180 GLU- HN 3.3 # 180 GLU- HA 181 CYS HN 5.0 # 180 GLU- HN 181 CYS HN 2.9 # 180 GLU- HN 182 GLN HN 5.0 # 180 GLU- HN 183 LYS+ HN 5.0 # 180 GLU- HA 183 LYS+ HN 5.0 # 180 GLU- HA 183 LYS+ QB 3.3 # # sk:7/9 180 GLU- HA 184 LEU HN 5.0 # #------------ Side Chain ---------------------------- 180 GLU- HA 183 LYS+ QE 5.00 1.00E+00 180 GLU- HB2 183 LYS+ QE 5.00 1.00E+00 180 GLU- HB3 183 LYS+ QE 5.00 1.00E+00 180 GLU- HG2 183 LYS+ QE 5.00 1.00E+00 180 GLU- HG3 183 LYS+ QE 5.00 1.00E+00 180 GLU- HA 205 TRP HE1 5.50 1.00E+00 # ### #------------ Main Chain ---------------------------- 181 CYS HA 181 CYS HN 5.0 # 181 CYS HA 182 GLN HN 5.0 # 181 CYS HN 182 GLN HN 2.9 # 181 CYS HN 183 LYS+ HN 5.0 # 181 CYS HN 184 LEU HN 5.0 # 181 CYS HA 184 LEU HN 5.0 # 181 CYS HA 184 LEU HB2 3.3 #< 181 CYS HA 184 LEU HB3 5.5 #> 181 CYS HA 185 LEU HN 5.0 # #------------ Side Chain ---------------------------- 181 CYS HA 184 LEU HG 5.5 # 181 CYS HA 184 LEU QD1 3.8 #< 181 CYS HA 184 LEU QD2 5.5 #sdviaqd1> #------------ Main Chain ---------------------------- 182 GLN HA 182 GLN HN 5.0 # 182 GLN HA 183 LYS+ HN 5.5 # 182 GLN HN 183 LYS+ HN 2.9 # 182 GLN HN 184 LEU HN 5.0 # 182 GLN HN 185 LEU HN 5.0 # #182 GLN HA 185 LEU HN 5.0 # not present #182 GLN HA 185 LEU HB 3.3 # 182 BETAS NOT SEEN 182 GLN HA 186 GLN HN 5.5 # vw #------------ Side Chain ---------------------------- #182 GLN HN 183 LYS+ QB 5.00 1.00E+00#sd #------------ Main Chain ---------------------------- 183 LYS+ HA 183 LYS+ HN 5.0 # 183 LYS+ HA 184 LEU HN 5.0 # 183 LYS+ HN 184 LEU HN 2.9 # 183 LYS+ HN 185 LEU HN 5.0 # 183 LYS+ HN 186 GLN HN 5.0 # 183 LYS+ HA 186 GLN HN 5.0 # 183 LYS+ HA 186 GLN HB2 3.3 # # sk:7/9 183 LYS+ HA 186 GLN HB3 5.0 # # sk:7/9 #183 LYS+ HA 187 ALA HN 5.0 # not present #------------ Side Chain ---------------------------- 183 LYS+ HA 186 GLN HE21 5.5 # #------------ Main Chain ---------------------------- 184 LEU HA 184 LEU HN 3.3 # #184 LEU HN 184 LEU QD1 5.5 #ov> #184 LEU HN 184 LEU QD2 5.0 #ov 184 LEU HN 185 LEU HN 2.9 # 184 LEU HA 185 LEU HN 5.0 # 184 LEU HN 186 GLN HN 5.0 # #184 LEU HN 187 ALA HN 5.0 # not present #184 LEU HA 187 ALA HN 5.0 # not present 184 LEU HA 187 ALA QB 3.3 # #184 LEU HA 188 ARG+ HN 5.0 # not present #------------ Side Chain (ssAI=>qd11.12:25.9/;qd2:1.04/24.1)---------------------------- #184 LEU QD1 187 ALA QB 5.5 #> 184 LEU QD2 187 ALA QB 5.0 ##184 LEU QD1 188 ARG+ QD 5.5 #> 184 LEU QD2 188 ARG+ QG 5.0 #ov< 184 LEU QD2 188 ARG+ QD 3.3 #< #------------ Main Chain ---------------------------- 185 LEU HA 185 LEU HN 5.0 # 185 LEU HA 185 LEU QD1 5.5 #> 185 LEU HA 185 LEU QD2 3.3 #< #185 LEU HA 186 GLN HN # none # 185 LEU HN 186 GLN HN 2.9 # 185 LEU HN 187 ALA HN 5.0 # 185 LEU HN 188 ARG+ HN 5.5 # vw #185 LEU HA 188 ARG+ HN 5.0 # not present #185 LEU HA 188 ARG+ HB 3.3 # not present #185 LEU HA 189 GLY HN 5.0 # not present #from 10% not clear 185ss #---- Side Chain -(AIss=>QD1=1.0/26.5;QD2=0.94/24.05)--- #185 LEU QD2 190 HIS+ HA 5.5 # 185 LEU QD1 191 THR QG2 5.0 #< 185 LEU QD1 191 THR HA 5.5 #< #185 LEU QQD 190 HIS+ HE1 5.5 #2d #------------ Main Chain ---------------------------- 186 GLN HA 186 GLN HN 5.0 # #186 GLN HA 187 ALA HN # none # 186 GLN HN 187 ALA HN 2.9 # 186 GLN HN 188 ARG+ HN 5.0 # 186 GLN HN 189 GLY HN 5.0 # 186 GLN HA 189 GLY HN 5.0 # 186 GLN HA 190 HIS+ HN 5.0 # #------------ Side Chain ---------------------------- #186 GLN HN 186 GLN HE21 5.0 #notpresent 186 GLN HN 186 GLN HE22 5.5 #sd 186 GLN HA 186 GLN HE21 5.0 # 186 GLN HA 186 GLN HE22 5.0 # #-NH87 very weak ---- Main Chain --------------------- 187 ALA HA 187 ALA HN 5.0 # 187 ALA HA 188 ARG+ HN 5.0 # 187 ALA HN 188 ARG+ HN 2.9 # 187 ALA HN 189 GLY HN 5.5 #3d #187 ALA HN 190 HIS+ HN 5.0 #noise #187 ALA HA 190 HIS+ HN 5.0 # not present #187 ALA HA 190 HIS+ HB 3.3 # not CLEAR #187 ALA HA 191 THR HN # NH191tooweak #------------ Side Chain ---------------------------- ################################################ #~~~~~~~~~~~~~LOOP-VII (188-194)~~~~~~~~~~~ ################################################ #------------ Main Chain ---------------------------- 188 ARG+ HA 188 ARG+ HN 3.3 # >3.3 188 ARG+ HA 189 GLY HN 3.8#3d 188 ARG+ HN 189 GLY HN 2.9 # 188 ARG+ HN 190 HIS+ HN 5.0 # #188 ARG+ HN 191 THR HN # NH191tooweak #188 ARG+ HA 191 THR HN # NH191tooweak #188 ARG+ HA 191 THR HB 3.3 # not present #------------ Side Chain ---------------------------- 188 ARG+ HB2 190 HIS+ HD2 3.8 #< 188 ARG+ HB3 190 HIS+ HD2 5.5 #> 188 ARG+ QG 190 HIS+ HD2 3.8 # 188 ARG+ QD 190 HIS+ HD2 3.3 # #188 ARG+ QD 190 HIS+ HE1 5.5 #2d,sd? #------------ Main Chain ---------------------------- 189 GLY QA 189 GLY HN 3.3 # 189 GLY QA 190 HIS+ HN 5.0 # 189 GLY HN 190 HIS+ HN 2.9 #189 GLY HN 191 THR HN # NH191tooweak #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 190 HIS+ HA 190 HIS+ HN 5.0 # 190 HIS+ HA 192 ASN HN 5.5 #only3d 190 HIS+ HA 193 SER HN 5.0 # #190 HIS+ HA 191 THR HN # NH191tooweak #190 HIS+ HN 191 THR HN # NH191tooweak #190 HIS+ HA 191 THR HN 5.0 # not present, 191 NH is vvw on 2D #------------ Side Chain ---------------------------- 190 HIS+ HN 190 HIS+ HD2 5.5 #3d 190 HIS+ HA 190 HIS+ HD2 5.5 #2d #-NH not present (MISSASSIGNED before)- Main Chain -------------- #at 7.7 weak peak with NH192 not assigned in 3d #191 THR HA 191 THR HN # none 191 THR HA 192 ASN HN 5.0 # 191 THR HB 192 ASN HN 3.3 #3d 191 THR QG2 192 ASN HN 5.0 #3d #191 THR QG2 192 ASN HD22 5.50 # 192 ASN HA 192 ASN HN 3.3 # 192 ASN HA 193 SER HN 3.3 # 192 ASN HN 193 SER HN 3.3 1.00E+00 192 ASN HB2 192 ASN HD21 3.80 #sd 192 ASN HB3 192 ASN HD21 3.80 #sd 192 ASN HA 192 ASN HD21 3.30 # 192 ASN HA 192 ASN HD22 5.50 #sd 192 ASN HB2 192 ASN HD22 5.00 # 192 ASN HB3 192 ASN HD22 5.00 # 192 ASN HB2 193 SER HN 5.00 # 192 ASN HB3 193 SER HN 5.00 # #PRO194~~~is trans!, but evidence of very small #Ha-Ha noe indicative of posible isomerization #(H-N noe:190=0.7424,192=0.6850,193=0.5701,195=0.8424) #or just spin difussion/real close distance. In #addition, Ha193 sees weakly hb2/3&hg2/3 of PRO194!. 193 SER HA 193 SER HN 5.0 # 193 SER HA 194 PRO QD 3.30 1.00E+00 194 PRO HA 195 LEU HN 2.70 1.00E+00 194 PRO HB2 195 LEU HN 5.50 1.00E+00 194 PRO HB3 195 LEU HN 5.00 1.00E+00 #194 PRO HD2 195 LEU HN 5.50 1.00E+00#3d,sd #194 PRO HD3 195 LEU HN 5.50 1.00E+00#3d,sd
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