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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11023 |
1qrj   |
4311 | cing | 1-original | 11 | DYANA/DIANA | distance | NOE | simple |
#------------ Main Chain ---------------------------- 107 GLN HA 107 GLN HN 3.3 # 107 GLN HA 108 GLY HN 5.5 # 107 GLN HN 108 GLY HN 3.3 #was 2.9 107 GLN HN 109 LEU HN 5.0 # 107 GLN HA 109 LEU HN 5.0 # 107 GLN HN 110 ARG+ HN 5.0 # 107 GLN HA 110 ARG+ HN 5.0 # 107 GLN HA 110 ARG+ QB 3.3 # 107 GLN HA 111 ARG+ HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 108 GLY HA1 108 GLY HN 3.3 # 108 GLY HA2 108 GLY HN 5.0 # 108 GLY HN 109 LEU HN 2.9 # 108 GLY HA1 109 LEU HN 5.0 # 108 GLY HA2 109 LEU HN 5.0 # 108 GLY HN 110 ARG+ HN 5.0 # 108 GLY HN 111 ARG+ HN 5.5 # sk:7/9 #108 GLY QA 111 ARG+ HN 5.0 # not present 108 GLY QA 111 ARG+ QB 5.5 # sk:7/9 108 GLY QA 112 GLU- HN 5.5 # sk:7/9 #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 109 LEU HA 109 LEU HN 3.3 #>3.3 109 LEU HA 110 ARG+ HN 5.5 # 109 LEU HN 110 ARG+ HN 2.9 # 109 LEU HN 111 ARG+ HN 5.0 # 109 LEU HN 112 GLU- HN 5.5 # sk:7/9 109 LEU HA 112 GLU- HN 5.0 # 109 LEU HA 112 GLU- QB 3.3 # #109 LEU HA 113 TYR HN 5.0 # not present #-------Side Chain (AIss=>0.98/27.2;qd2=0.81/23.1)------- 109 LEU QD2 112 GLU- HG2 3.80 1.00E+00 #sd 109 LEU QD2 112 GLU- HG3 3.80 1.00E+00 #sd 109 LEU QD2 112 GLU- QB 5.00 1.00E+00 # # Jul-4 #------------ Main Chain ---------------------------- 110 ARG+ HA 110 ARG+ HN 5.0 # 110 ARG+ HA 111 ARG+ HN 5.5 #<5.5 110 ARG+ HN 111 ARG+ HN 2.9 # 110 ARG+ HN 112 GLU- HN 5.0 # 110 ARG+ HN 113 TYR HN 5.5 # sk:7/9 110 ARG+ HA 113 TYR HN 5.0 # #110 ARG+ HA 113 TYR HB 3.3 # not present 113 BETAS ARE WEAK #110 ARG+ HA 114 GLN HN 5.0 # not present #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 111 ARG+ HA 111 ARG+ HN 5.0 # 111 ARG+ HA 112 GLU- HN 5.5 # 111 ARG+ HN 112 GLU- HN 2.9 # 111 ARG+ HN 113 TYR HN 5.0 # sk:7/9, to 5.0rco 111 ARG+ HN 114 GLN HN 5.5 # sk:7/9 111 ARG+ HA 114 GLN HN 5.0 # 111 ARG+ HA 114 GLN QB 3.3 # 111 ARG+ HA 115 GLN HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 112 GLU- HA 112 GLU- HN 5.0 # 112 GLU- HA 113 TYR HN 5.0 # 112 GLU- HN 113 TYR HN 2.9 # 112 GLU- HN 114 GLN HN 5.0 # 112 GLU- HN 115 GLN HN 5.5 # sk:7/9 112 GLU- HA 115 GLN HN 5.0 # 112 GLU- HA 115 GLN QB 3.3 # 112 GLU- HA 116 LEU HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 113 TYR HN 114 GLN HN 2.9 # 113 TYR HA 113 TYR HN 5.0 # 113 TYR HA 114 GLN HN 5.5 # 113 TYR HN 115 GLN HN 5.0 # 113 TYR HN 116 LEU HN 5.5 # sk:7/9 113 TYR HA 116 LEU HN 5.0 # 113 TYR HA 116 LEU QB 5.0 # WEAK 113 TYR HA 117 TRP HN 5.5 # vw #------------ Side Chain ---------------------------- 113 TYR HA 116 LEU QD1 5.00 1.00E+00 #< 113 TYR HA 116 LEU QD2 5.50 1.00E+00 #>sd 113 TYR HD1 113 TYR HA 3.30 1.00E+00 # #@ 113 TYR HD1 113 TYR QB 3.30 1.00E+00 # 2d 113 TYR HD1 117 TRP HD1 5.50 #2d 113 TYR HE1 117 TRP HD1 3.3 #2d,maybe2.9 113 TYR HE1 117 TRP QB 5.0 #2d,notquite 113 TYR HD1 117 TRP QB 5.0 #2d,notquite #------------ Main Chain ---------------------------- 114 GLN HA 114 GLN HN 5.5 # VW plane 114 GLN HA 115 GLN HN 5.0 # 114 GLN HN 115 GLN HN 2.9 # 114 GLN HN 116 LEU HN 5.0 # 114 GLN HN 117 TRP HN 5.5 # sk:7/9 114 GLN HA 117 TRP HN 5.0 # #114 GLN HA 117 TRP HB 3.3 # BETAS OF W117 NOT FOUND #114 GLN HA 118 LEU HN 5.0 # not present #------------ Main Chain ---------------------------- 115 GLN HA 115 GLN HN 3.3 # 115 GLN HA 116 LEU HN 5.0 # 115 GLN HN 116 LEU HN 2.9 # 115 GLN HN 117 TRP HN 5.0 # 115 GLN HN 118 LEU HN 5.5 # sk:7/9 115 GLN HA 118 LEU HN 5.0 # #115 GLN HA 118 LEU HB 3.3 # not present 115 GLN HA 119 ALA HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 116 LEU HA 116 LEU HN 5.0 # 116 LEU HA 117 TRP HN 5.5 # 116 LEU HN 117 TRP HN 3.3 # sk:7/9 116 LEU HN 118 LEU HN 5.0 # 116 LEU HN 119 ALA HN 5.0 # 116 LEU HA 119 ALA HN 5.0 # vw 116 LEU HA 119 ALA QB 3.3 # 116 LEU HA 120 ALA HN 5.0 # vw #-- Side Chain (AIss=>qd1:0.72/26.3;qd2:0.79/23.3---- #116 LEU QD1 119 ALA QB 5.5 #sd #116 LEU HG 119 ALA QB 3.3 #no #------------ Main Chain ---------------------------- #117 TRP HA 117 TRP HN # none 117 TRP HN 118 LEU HN 3.3 # sk:7/9 #117 TRP HA 118 LEU HN 5 # not present, 117Ha is on the edge & weak 117 TRP HN 119 ALA HN 5.0 # 117 TRP HN 120 ALA HN 5.5 #sd #117 TRP HA 120 ALA HN 5.0 # not present 117 TRP HA 120 ALA QB 5.0 #ov #117 TRP HA 121 PHE HN 5.0 # not present #------------ Side Chain ---------------------------- 117 TRP HE3 118 LEU HG 5.0 1.00E+00 # 117 TRP HE3 118 LEU QD1 5.5 1.00E+00 # # Jul-4 sk:7/9 117 TRP HE3 118 LEU QD2 3.30 1.00E+00 # # Jul-4 117 TRP HZ3 118 LEU QD2 5.00 1.00E+00 # 117 TRP HZ2 121 PHE HZ 5.00 #2d ov 117 TRP HE3 121 PHE HD1 5.00 #2d 117 TRP HE3 121 PHE HE1 5.00 #2d 117 TRP HZ2 121 PHE HE1 5.00 #2d #------------ Main Chain ---------------------------- 118 LEU HA 118 LEU HN 5.0 # 118 LEU HA 119 ALA HN 5.0 # 118 LEU HN 119 ALA HN 2.9 # 118 LEU HN 120 ALA HN 5.0 # 118 LEU HN 121 PHE HN 5.5 # sk:7/9 118 LEU HA 121 PHE HN 5.5 # vw #118 LEU HA 121 PHE QB 3.3 # not present #118 LEU HA 122 ALA HN 5.0 # not present #------Side Chain (AIss=>qd1=1.16/26.5;qd2=1.20/24.9)------ 118 LEU QD2 121 PHE HD1 5.50 1.00E+00 # 118 LEU HA 121 PHE HD1 5.50 1.00E+00 # #------------ Main Chain ---------------------------- 119 ALA HA 119 ALA HN 3.3 # 119 ALA HA 120 ALA HN 5.5 #overlapped 119 ALA HN 120 ALA HN 2.9 # 119 ALA HN 121 PHE HN 5.0 # 119 ALA HN 122 ALA HN 5.0 # 119 ALA HA 122 ALA HN 5.0 # 119 ALA HA 122 ALA QB 3.8 # OVERLAP 119 ALA HA 123 ALA HN 5.5 #3d #------------ Side Chain ---------------------------- 119 ALA QB 120 ALA HA 5.5 # 119 ALA QB 120 ALA QB 5.0 # #------------ Main Chain ---------------------------- 120 ALA HA 120 ALA HN 5.0 # 120 ALA HN 121 PHE HN 2.9 # #120 ALA HA 121 PHE HN 5 # not present 120 ALA HN 122 ALA HN 5.0 # 120 ALA HA 123 ALA QB 3.3 #5.0to3.3 120 ALA HA 123 ALA HN 5.00 #3d #120 ALA HA 124 LEU HN ##not present #------------ Side Chain ---------------------------- 120 ALA QB 123 ALA QB 5.0 #sd? #------------ Main Chain ---------------------------- 121 PHE HA 121 PHE HN 5.0 # 121 PHE HA 122 ALA HN 5.5 # 121 PHE HN 123 ALA HN 5.00 ##sd 121 PHE HA 123 ALA HN 5.00 ## 121 PHE HN 124 LEU HN 5.50 ## #121 PHE HA 124 LEU HB #not present 121 PHE HA 124 LEU HN 5.00 #3d 121 PHE HN 122 ALA HN 2.9 # #------------ Side Chain ---------------------------- 121 PHE HA 124 LEU HG 5.00 1.00E+00 # # Jul-4 121 PHE HA 124 LEU QD1 3.30 1.00E+00 #< 121 PHE HA 124 LEU QD2 5.00 1.00E+00 #>sd 121 PHE HD1 124 LEU QD1 3.30 1.00E+00 121 PHE HE1 124 LEU QD1 5.50 1.00E+00 # # Jul-4 121 PHE QB 124 LEU QD1 5.50 1.00E+00 # # Jul-4 #121 PHE HZ 128 ALA QB 3.30 # #only4d&quadnoise #------------ Main Chain ---------------------------- 122 ALA HA 122 ALA HN 3.3 # 122 ALA HA 123 ALA HN 3.3 # 122 ALA HN 123 ALA HN 2.70 ## 122 ALA HN 124 LEU HN 5.50 ## 122 ALA QB 124 LEU HN 5.00 ## 122 ALA HN 123 ALA HA 5.00 1.00E+00 #------------ Side Chain ---------------------------- #122 ALA QB 124 LEU HN 5.50 #sd through Ha-Hn 122-124 #possible hydrophobic C_cap. #122 ALA HA 124 LEU HN expected by above, not assignable by over. 122 ALA HA 127 SER QB 3.30 1.00E+00 #------------ Main Chain ---------------------------- 123 ALA HA 123 ALA HN 2.7 # 123 ALA HA 124 LEU HN 3.3 #from 5.0 123 ALA HN 124 LEU HN 2.7 #from 3.3 #------------ Side Chain ---------------------------- 123 ALA HN 124 LEU QD2 5.00 1.00E+00 #123 ALA HA 124 LEU QD2 5.50 1.00E+00 #sd 123 ALA QB 124 LEU QD2 5.00 1.00E+00 #sd 123 ALA HN 124 LEU HG 5.0 # #----------------------------------------------------------# #--------------Interactions within DOMAIN N----------------# #----------------------------------------------------------# #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~~~~~~N-term [6-16] and OTHERS #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ # 15 MET QE 44 ALA HA 5.00 1.00E+00 # ###3.3to5.0sd 15 MET QE 44 ALA QB 3.80 1.00E+00 #sdviaqd123 # 15 MET QE 48 PHE HA 5.50 1.00E+00 #sdviahd1 # 15 MET QE 48 PHE HB2 5.50 1.00E+00 #sdviahd1 # 15 MET HA 48 PHE HD1 5.50 1.00E+00 # ###sdviahn 15 MET HN 48 PHE HD1 5.00 1.00E+00 # ###3d 15 MET HB2 48 PHE HD1 3.3 1.00E+00 # ###3d 15 MET HB3 48 PHE HD1 3.3 1.00E+00 # ###3d 15 MET QG 48 PHE HD1 3.3 1.00E+00 # ###3d 15 MET QE 48 PHE HD1 3.3 1.00E+00 # ###3d 15 MET QE 48 PHE HE1 3.3 1.00E+00 # ###3d 15 MET HB2 48 PHE HE1 3.3 1.00E+00 # ###3d 15 MET HB3 48 PHE HE1 3.3 1.00E+00 # ###3d 15 MET QG 48 PHE HE1 3.3 1.00E+00 # ###3d 15 MET QE 48 PHE HZ 5.00 1.00E+00 # ### # 14 HIS+ HB3 51 THR QG2 5.50 1.00E+00 # ###o,sd 14 HIS+ HE1 51 THR QG2 3.30 1.00E+00 # ###o,2d # 14 HIS+ HE1 51 THR HB 5.50 1.00E+00 # ###o 14 HIS+ HD2 51 THR QG2 5.50 1.00E+00 # ###o 15 MET QE 54 ASP- HA 5.50 1.00E+00 # 3d,sdviahb2/3 15 MET QE 54 ASP- HB2 5.00 1.00E+00 #3d> 15 MET QE 54 ASP- HB3 5.00 1.00E+00 #3d< 15 MET QE 58 LEU QD2 3.30 1.00E+00 #= ### 15 MET QE 58 LEU QD1 5.50 1.00E+00 #= sdvia20qd2 15 MET QE 58 LEU HG 5.50 1.00E+00 # ### # 15 MET QE 58 LEU HA 5.50 1.00E+00 # ###sd #%1&2-1&2-1&2-1&2-1&2-1&2-1&2-1&2-1&2-1&2-1&2-1&2-% #~~~~~~~~~~~~~HELIX I & II [17-28;33-48]~~~~~~~% #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 23 ILE HA 40 THR QG2 3.30 1.00E+00 # ### # 23 ILE QD1 40 THR QG2 5.50 1.00E+00 #sdviaqg2 23 ILE QG2 40 THR HB 5.50 1.00E+00 # ### 23 ILE QG2 40 THR QG2 3.30 1.00E+00 # ### # 23 ILE HA 43 LEU QQD 5.50 1.00E+00 # ###ov # 23 ILE HB 43 LEU QQD 5.50 1.00E+00 #sdviaha # 23 ILE HG13 43 LEU QQD 5.50 1.00E+00 # ###not on 4d # 23 ILE QD1 43 LEU QQD 3.80 1.00E+00 # ###ov with 58,sd # 23 ILE QG2 43 LEU QQD 5.00 1.00E+00 # ###ov,sd 23 ILE QD1 44 ALA HA 5.50 1.00E+00 # ### # 23 ILE HA 44 ALA QB 5.50 1.00E+00 #sd 23 ILE HB 44 ALA QB 5.50 1.00E+00 # ### 23 ILE HG12 44 ALA QB 5.00 1.00E+00 # ### 23 ILE HG13 44 ALA QB 5.00 1.00E+00 # ### 23 ILE QD1 44 ALA QB 3.30 1.00E+00 # ### 23 ILE QG2 44 ALA QB 3.80 1.00E+00 #sd23qd1 23 ILE QD1 48 PHE HD1 5.00 1.00E+00 #2d 23 ILE QD1 48 PHE HE1 5.00 1.00E+00 #2d 26 GLU- QB 40 THR HA 5.50 1.00E+00 # ### 26 GLU- QB 40 THR HB 5.50 1.00E+00 # ### 26 GLU- QB 40 THR QG2 3.80 1.00E+00 #sdviaqg 26 GLU- QG 40 THR HB 5.00 1.00E+00 # ### 26 GLU- QG 40 THR QG2 3.30 1.00E+00 # ### # 27 VAL QG1 37 PHE HN 5.50 #sdviaha 27 VAL QG1 37 PHE HA 3.80 1.00E+00 #<,sd 27 VAL QG2 37 PHE HA 5.00 1.00E+00 #> 27 VAL QG1 37 PHE HE1 5.00 1.00E+00 #> 27 VAL QG2 37 PHE HE1 3.30 1.00E+00 #< # 27 VAL HB 37 PHE HD1 5.50 1.00E+00 #sdviaqg 27 VAL QG1 37 PHE HD1 3.30 1.00E+00 #= 27 VAL QG2 37 PHE HD1 3.30 1.00E+00 #= 27 VAL HN 40 THR QG2 5.50 #o 27 VAL HA 40 THR QG2 5.00 #o3.3to5.0sdviaqg 27 VAL HB 40 THR QG2 5.50 #sdviaqg 27 VAL QG2 40 THR QG2 3.80 #sd< 27 VAL QG1 40 THR QG2 5.00 #sd> 27 VAL QG2 40 THR HB 3.80 #< # 27 VAL QG1 40 THR HB 5.00 #> # 27 VAL QG2 40 THR HA 5.00 #o,sdviaqg2 # 27 VAL QG1 40 THR HA 5.50 #o,sdviaqg2 # 27 VAL QG1 41 ILE QD1 5.00 1.00E+00#sdvia62,ov 27 VAL QG2 41 ILE QD1 3.80 1.00E+00#sdvia62 #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~~~~~~LOOP I [29-32] & HELIX II [33-48] #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ 30 ALA HA 36 GLN HB3 5.00 1.00E+00 # # july_8 30 ALA QB 36 GLN HN 5.00 1.00E+00 # # 30 ALA QB 36 GLN HA 5.50 1.00E+00 #sdviahb2/3 30 ALA QB 36 GLN HB3 5.00 1.00E+00 #sdviaqg 30 ALA HA 36 GLN HB2 5.00 1.00E+00 # # 3.3to5.0,sd? 30 ALA QB 36 GLN HB2 5.00 1.00E+00 #sdviaqg 30 ALA HA 36 GLN QG 5.00 1.00E+00 # 30 ALA QB 36 GLN QG 3.30 1.00E+00 # # 30 ALA HA 37 PHE HA 5.50 1.00E+00 #sdviaqb 30 ALA QB 37 PHE HA 3.30 1.00E+00 # 30 ALA QB 37 PHE HB2 5.50 1.00E+00 # # 30 ALA QB 37 PHE HD1 5.00 1.00E+00 # # 30 ALA QB 37 PHE HN 3.30 1.00E+00 # # 30 ALA QB 38 MET HN 5.00 1.00E+00 # # # 30 ALA QB 40 THR QG2 5.50 1.00E+00 #sd # 27 VAL HA 36 GLN QG 5.00 1.00E+00 # # ? # 27 VAL HB 36 GLN QG 3.30 1.00E+00 # # ? #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~~~~~~LOOP I [29-32] & HELIX I [17-28] #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #%1&3-1&3-1&3-1&3-1&3-1&3-1&3-1&3-1&3-1&3-1&3-1&3% #~~~~~~~~~~~~~HELIX I & III [17-28;52-61]~~~~~~~% #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% # 17 MET HA 61 TYR HD1 5.00 1.00E+00 # ###=ha21 # 17 MET HA 61 TYR HE1 3.30 1.00E+00 # ###=ha21 17 MET QB 61 TYR HE1 5.50 1.00E+00 # ### 17 MET QE 61 TYR HD1 3.30 1.00E+00 # ### 17 MET QE 61 TYR HE1 2.70 1.00E+00 # ### # 20 LEU QD2 55 LEU QD1 5.50 1.00E+00 # #sdvia58 # 20 LEU QD2 55 LEU QD2 5.50 1.00E+00 # #sdvia58 # 20 LEU QD1 54 ASP- HB2 5.00 1.00E+00 # # 20 LEU QD1 54 ASP- HB3 5.00 1.00E+00 # # 20 LEU QD2 54 ASP- HB2 5.00 1.00E+00 #sdqe15 # 20 LEU QD2 54 ASP- HB3 5.00 1.00E+00 #sdqe15 20 LEU QD1 54 ASP- QB 5.00 1.00E+00 # 20 LEU QD2 54 ASP- QB 5.00 1.00E+00 #sdqe15 20 LEU QD1 58 LEU HN 5.50 1.00E+00 #> 20 LEU QD2 58 LEU HN 3.80 1.00E+00 #< # 20 LEU QD1 58 LEU HA 3.30 1.00E+00 #=ha17 20 LEU QD2 58 LEU HA 3.30 1.00E+00 #=ha17 # 20 LEU QD2 58 LEU HB2 5.50 1.00E+00 # ###sd # 20 LEU QD2 58 LEU HB3 5.50 1.00E+00 # ###sd # 20 LEU QD1 58 LEU HG 5.00 1.00E+00 #sd # 20 LEU QD1 58 LEU QD1 5.00 1.00E+00 #checked,3.3to5.0,sd # 20 LEU QD1 58 LEU QD2 5.50 1.00E+00 #checked,sd 20 LEU QD2 58 LEU QD2 3.30 1.00E+00 #checked 20 LEU QD2 58 LEU QD1 3.30 1.00E+00 #checked # 20 LEU HA 58 LEU QD2 5.50 1.00E+00 # #sd # 20 LEU HB3 58 LEU QD2 5.00 1.00E+00 # #sd # 20 LEU HG 58 LEU QD2 5.00 1.00E+00 # #sd 20 LEU HG 61 TYR HD1 5.50 1.00E+00 # # july_8 20 LEU HG 61 TYR HE1 3.30 1.00E+00 # # july_8 # 20 LEU QD1 61 TYR HA 5.50 1.00E+00 #sd # 20 LEU QD2 61 TYR HA 5.50 1.00E+00 #sd # 20 LEU QD1 61 TYR HB2 5.50 1.00E+00 #> 20 LEU QD2 61 TYR HB2 5.00 1.00E+00 # ### # 20 LEU QD1 61 TYR HB3 5.50 1.00E+00 #> 20 LEU QD2 61 TYR HB3 5.00 1.00E+00 # ### 20 LEU QD1 61 TYR HD1 5.00 1.00E+00 #sdviaqd2 20 LEU QD2 61 TYR HD1 2.70 1.00E+00 # ### 20 LEU QD1 61 TYR HE1 5.00 1.00E+00 #sdviaqd2 20 LEU QD2 61 TYR HE1 3.30 1.00E+00 # ### # 20 LEU QD1 61 TYR HN 5.50 1.00E+00 #sd # 20 LEU QD2 61 TYR HN 5.50 1.00E+00 #sd 21 GLN HN 61 TYR HE1 5.0 #3d # 22 ALA HN 61 TYR HE1 5.0 #3d , sd 21 GLN HA 61 TYR HD1 5.00 1.00E+00 # ###=ha17 21 GLN HA 61 TYR HE1 3.30 1.00E+00 # ###=ha17 23 ILE QD1 62 LEU QD1 5.50 1.00E+00 # # ><2.7to3.3.sd? 23 ILE QG2 62 LEU QD1 3.30 1.00E+00 # # <<2.7to3.3.sd? # 23 ILE QD1 62 LEU QD2 5.50 1.00E+00 # # >> 23 ILE QG2 62 LEU QD2 5.50 1.00E+00 # # <> 24 LYS+ HA 61 TYR HE1 5.00 1.00E+00 # # july_8 24 LYS+ HB2 61 TYR HE1 5.00 1.00E+00 # # july_8 24 LYS+ HB3 61 TYR HD1 5.50 1.00E+00 # # july_8 24 LYS+ HB3 61 TYR HE1 5.00 1.00E+00 # # july_8 24 LYS+ QD 61 TYR HD1 5.00 1.00E+00 # # july_8 24 LYS+ QD 61 TYR HE1 3.30 1.00E+00 # # july_8 24 LYS+ QE 61 TYR HD1 3.30 1.00E+00 # # july_8 24 LYS+ QE 61 TYR HE1 3.30 1.00E+00 # # july_8 24 LYS+ QG 61 TYR HD1 5.50 1.00E+00 # # july_8 24 LYS+ QG 61 TYR HE1 5.00 1.00E+00 # # july_8 24 LYS+ HN 61 TYR HE1 5.00 1.00E+00 # ###3d 24 LYS+ HA 62 LEU QD1 5.00 1.00E+00 #o 24 LYS+ HA 62 LEU QD2 3.30 1.00E+00 #o 24 LYS+ HB3 62 LEU QD2 5.00 1.00E+00 #o 24 LYS+ QG 62 LEU QD2 3.80 1.00E+00 #sdviaha 24 LYS+ QD 62 LEU QD2 3.80 1.00E+00 #sdviaha # 25 GLN HN 61 TYR HE1 5.0 #3d,sdviahn24 #27.qg1 overlaps 62.qd2 27 VAL QG1 62 LEU QD1 3.30 1.00E+00 # #o/over 27 VAL QG1 62 LEU QD2 5.00 1.00E+00 # #o/over # 27 VAL QG2 62 LEU HA 5.50 1.00E+00 #over # 27 VAL QG2 62 LEU HG12 5.00 1.00E+00 # #o # 27 VAL QG2 62 LEU HG13 5.00 1.00E+00 # #o 27 VAL QG2 62 LEU QD1 3.30 1.00E+00 # #o/over 27 VAL QG2 62 LEU QD2 3.80 1.00E+00 # #o 27 VAL HB 62 LEU QD2 5.00 1.00E+00 # #o #%2&3-2&3-2&3-2&3-2&3-2&3-2&3-2&3-2&3-2&3-2&3-2&3-% #~~~~~~~~~~~~~HELIX II & III [33-48;52-61]~~~~~~~~ #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 37 PHE HD1 62 LEU QD1 5.00 1.00E+00 # #o/over 37 PHE HD1 62 LEU QD2 5.00 1.00E+00 # #o/over 37 PHE HE1 62 LEU QD1 5.50 1.00E+00 # #o/over 37 PHE HZ 62 LEU QD1 5.00 1.00E+00 # #o/over 41 ILE QD1 58 LEU QD1 5.00 1.00E+00 # # 41 ILE QD1 58 LEU QD2 5.00 1.00E+00 #ov,sd? 41 ILE QG2 58 LEU QD1 5.00 1.00E+00 # 41 ILE QG2 58 LEU QD2 3.30 1.00E+00 #ov 44 ALA QB 58 LEU QD2 5.00 1.00E+00 # 44 ALA QB 58 LEU QD1 5.50 1.00E+00 #sd 45 VAL QG2 55 LEU QD1 5.50 1.00E+00 # > 45 VAL QG2 55 LEU QD2 3.30 1.00E+00 # < 45 VAL QG2 55 LEU HG 5.00 1.00E+00 # # 45 VAL QG1 55 LEU QD1 5.50 1.00E+00 # >sd # 45 VAL QG1 55 LEU QD2 5.00 1.00E+00 # 38 MET QE 118 LEU QD2 3.30 1.00E+00 #< 38 MET QE 119 ALA HN 5.50 1.00E+00 # # 38 MET QE 119 ALA HA 5.50 1.00E+00 # # Jul-4 38 MET QE 121 PHE HA 5.50 1.00E+00 #sd 38 MET QE 122 ALA HA 5.00 1.00E+00 # # Jul-4 38 MET QE 122 ALA QB 3.30 1.00E+00 # 41 ILE QD1 117 TRP HH2 5.00 1.00E+00 #sd 41 ILE QD1 117 TRP HZ3 5.50 1.00E+00 # 41 ILE QG2 117 TRP HH2 5.00 1.00E+00 # 41 ILE QG2 117 TRP HZ3 5.00 1.00E+00 # 41 ILE HB 118 LEU QD2 5.00 1.00E+00 # # 41 ILE QD1 118 LEU QD1 5.50 1.00E+00 #sd 41 ILE QD1 118 LEU QD2 5.00 1.00E+00 #sdviaqg2 41 ILE QG2 118 LEU QD1 5.00 1.00E+00 #sd 41 ILE QG2 118 LEU QD2 3.30 1.00E+00 #sd 41 ILE HG12 118 LEU QD2 5.00 1.00E+00 # 41 ILE HG13 118 LEU QD2 5.00 1.00E+00 # 41 ILE QG2 121 PHE HZ 5.00 1.00E+00 # 41 ILE QD1 121 PHE HZ 5.00 1.00E+00 # # Jul-4 41 ILE QD1 121 PHE HE1 5.50 1.00E+00 # # Jul-4 45 VAL QG2 118 LEU QD1 3.80 #>< 45 VAL QG1 118 LEU QD1 2.70 #<< # 45 VAL QG2 118 LEU QD2 5.00 # >sd 45 VAL QG1 118 LEU QD2 5.00 # > #%3&4-3&4-3&4-3&4-3&4-3&4-3&4-3&4-3&4-3&4-%%%%%%% #~~~~~~~~~~~~~HELIX III & IV [52-61;65-84]~~~~~~ #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 59 LEU QD2 68 ALA HA 2.90 1.00E+00 #< 59 LEU QD1 68 ALA HA 3.80 1.00E+00 #> 59 LEU HG 68 ALA QB 5.00 1.00E+00 # #@ 59 LEU QD2 68 ALA QB 2.90 1.00E+00 #< 59 LEU QD1 68 ALA QB 3.80 1.00E+00 #> 59 LEU QD2 71 HIS+ HB2 5.00 1.00E+00 # vw 59 LEU QD2 71 HIS+ HB3 5.00 1.00E+00 # vw # 59 LEU QD2 71 HIS+ HA 5.50 1.00E+00 #sdviab # 59 LEU QD2 71 HIS+ HN 5.50 1.00E+00 #vw # 59 LEU QD1 71 HIS+ HA 5.50 1.00E+00 #sdviab # 59 LEU QD1 71 HIS+ HN 5.50 1.00E+00 #vw 59 LEU QD1 72 HIS+ HN 5.50 1.00E+00 # #@ 59 LEU QD2 72 HIS+ HN 5.00 1.00E+00 # #@ 59 LEU QD2 72 HIS+ HD2 5.00 1.00E+00 # 59 LEU QD2 72 HIS+ HE1 3.3 1.00E+00 #2d #%3&5-3&5-3&5-3&5-3&5-3&5-3&5-3&5-3&5-3&5%%%%%%%%% #~~~~~~~~~~~~~HELIX III & V [52-61;107-121]~~~~~ #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 52 ALA HA 113 TYR HD1 5.50 1.00E+00 # 52 ALA HA 113 TYR HE1 5.00 1.00E+00 # 52 ALA QB 113 TYR HD1 3.30 1.00E+00 # #@ 52 ALA QB 113 TYR HE1 2.70 1.00E+00 # #@ 55 LEU QD1 113 TYR HD1 5.00 1.00E+00 # # 2d 55 LEU QD1 113 TYR HE1 3.30 1.00E+00 # # Jul-4 # 55 LEU QD2 113 TYR HD1 5.00 1.00E+00 # # 2d,sd.notin4d # 55 LEU QD2 113 TYR HE1 3.30 1.00E+00 # # 2d,sd.notin4d 55 LEU QD1 117 TRP HE1 5.50 1.00E+00 # ### 55 LEU QD2 117 TRP HE1 5.50 1.00E+00 # ### # 55 LEU QD2 117 TRP HD1 5.00 1.00E+00 # ###2d,sdviaqd1 55 LEU QD1 117 TRP HD1 3.30 1.00E+00 # ###2d,maybe3.8 55 LEU QD2 117 TRP HZ2 5.00 1.00E+00 # ###2d # 55 LEU QD1 117 TRP HZ2 5.00 1.00E+00 # ###2d,sdviaqd2 55 LEU QD2 117 TRP HH2 5.50 1.00E+00 # ###2d # 55 LEU QD1 117 TRP HH2 5.50 1.00E+00 # ###2d,sd 55 LEU QD2 117 TRP HZ3 3.30 1.00E+00 # ###2d 55 LEU QD1 117 TRP HZ3 5.00 1.00E+00 # ###2d,sd 55 LEU QD2 117 TRP HE3 5.00 1.00E+00 # ###2d 55 LEU QD1 117 TRP HE3 3.30 1.00E+00 # ###2d 55 LEU QD1 114 GLN HA 5.00 1.00E+00 #< # 55 LEU QD2 114 GLN HA 6.00 1.00E+00 #> 55 LEU HG 114 GLN HA 5.00 1.00E+00 # 59 LEU QD2 117 TRP HD1 5.50 1.00E+00 # 59 LEU QD2 117 TRP HE1 5.50 1.00E+00 # 59 LEU QD1 117 TRP HE1 5.00 1.00E+00 # 59 LEU QD1 117 TRP HH2 5.50 1.00E+00 # ### # 59 LEU QD2 117 TRP HN 5.50 1.00E+00 # ###sd? # 59 LEU QD1 117 TRP HN 5.00 1.00E+00 # ###sd? 59 LEU QD2 117 TRP HZ2 5.50 1.00E+00 #> 59 LEU QD1 117 TRP HZ2 3.30 1.00E+00 #< 59 LEU QD1 121 PHE HZ 5.00 1.00E+00 # # 59 LEU QD1 121 PHE HE1 3.30 1.00E+00 # # #@2L2L2L2L2L2L2L2L2L2L2L2L2L2L2L2L2L2L2L2L2L2L@@ #~~~~~~~~HELIX II [33-48] & LINKER [124-143]~~~~~~ #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ # 37 does NOT see 128!, checked. #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~HELIX IV [65-84]&LINKER [124-143]~~~~~~ #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ 71 HIS+ HA 124 LEU QD1 5.50 1.00E+00 #> 71 HIS+ HA 124 LEU QD2 3.30 1.00E+00 #< 71 HIS+ HN 124 LEU QD1 5.00 1.00E+00 71 HIS+ HN 124 LEU QD2 5.00 1.00E+00 # 71 HIS+ HA 124 LEU HG 5.00 1.00E+00 #sd #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~~~~~~HELIX II [33-48] & LOOP III [62-64] #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ 41 ILE QD1 62 LEU QD1 2.90 1.00E+00#< 41 ILE QD1 62 LEU QD2 5.50 1.00E+00#> #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~~~~~HELIX III [52-61] & LOOP III [62-64] #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~~~~~~LOOP III [62-64] & HELIX IV [65-84] #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ 60 GLN HN 68 ALA QB 5.50 1.00E+00 # #@ #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~~~~~~LOOP IV [85-106] & HELIX III [52-61] #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #51 THR HB 101 ALA QB 5.50 1.00E+00 #o,exch 51 THR QG2 102 ASN HA 3.30 1.00E+00 #o 51 THR HB 102 ASN HA 3.30 1.00E+00 #o 51 THR HA 102 ASN HA 5.00 1.00E+00 #o 51 THR HB 102 ASN QB 5.50 1.00E+00 #o 51 THR QG2 102 ASN QB 5.50 1.00E+00 #o #51 THR QG2 110 ARG+ QD 5.00 1.00E+00#ov 52 ALA QB 99 VAL HN 5.50 ## 52 ALA QB 99 VAL HA 5.50 ## # 52 ALA QB 99 VAL QG2 5.50 #sdviaHa&hn 52 ALA QB 98 ARG+ HA 3.30 1.00E+00 # 52 ALA QB 98 ARG+ QB 3.30 1.00E+00 # 52 ALA QB 98 ARG+ QD 5.00 1.00E+00 # 52 ALA QB 98 ARG+ QG 5.00 1.00E+00 # 52 ALA QB 101 ALA HN 5.00 # 52 ALA QB 101 ALA HA 5.50 1.00E+00 #sd 52 ALA HA 101 ALA QB 5.50 1.00E+00 #sd 52 ALA QB 101 ALA QB 2.70 1.00E+00 # 52 ALA HN 102 ASN HA 5.0 52 ALA QB 102 ASN HN 5.00 ## # 52 ALA QB 102 ASN HD21 5.00 ##> 52 ALA QB 102 ASN HD22 3.80 ##< #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ #~~~~~~~~~~~~~ LOOP IV [85-106] & HELIX IV [65-84] #@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ 79 ILE QG2 87 ILE QD1 5.50 1.00E+00 # 79 ILE QG2 97 LEU QD2 3.30 1.00E+00 #< 79 ILE QG2 97 LEU QD1 5.50 1.00E+00 #> 79 ILE QD1 97 LEU QD2 2.90 1.00E+00 #maybe3.3< 79 ILE QD1 97 LEU QD1 5.50 1.00E+00 #> 87 ILE QD1 97 LEU QD2 5.00 1.00E+00 #>sd 87 ILE QD1 97 LEU QD1 2.90 1.00E+00 #< # 87 ILE QG2 97 LEU QD1 5.00 1.00E+00 #sd< 82 ALA QB 85 ARG+ QB 5.00 1.00E+00 # # Jul-4 82 ALA QB 87 ILE HN 5.50 1.00E+00 #sd 82 ALA QB 87 ILE QD1 3.30 1.00E+00 82 ALA QB 87 ILE HA 5.50 1.00E+00 # # Jul-4 82 ALA QB 87 ILE HG12 5.00 1.00E+00 # # Jul-4 82 ALA HA 87 ILE QD1 5.5 1.00E+00 # # Jul-4 # sk:7/9 82 ALA QB 87 ILE QG2 5.00 1.00E+00 #sdviaqd1 82 ALA QB 112 GLU- QG 5.50 # 83 GLU- HA 87 ILE QD1 3.30 1.00E+00 # # Jul-4 # 83 GLU- HA 87 ILE QG2 5.00 1.00E+00 #sd 83 GLU- HB2 87 ILE QD1 5.50 1.00E+00 # # Jul-4 83 GLU- HG2 87 ILE QD1 5.00 1.00E+00 # # Jul-4 83 GLU- HG3 87 ILE QD1 5.50 1.00E+00 # # Jul-4 83 GLU- HN 87 ILE QD1 3.30 1.00E+00 # # Jul-4 83 GLU- HA 87 ILE HG12 5.50 1.00E+00 # # Jul-4 83 GLU- HA 90 TYR HE1 5.00 1.00E+00 # # Jul-4 83 GLU- HB3 90 TYR HE1 5.50 1.00E+00 # # Jul-4 83 GLU- HG2 90 TYR HE1 5.50 1.00E+00 # # Jul-4 83 GLU- HG3 90 TYR HE1 5.00 1.00E+00 # # Jul-4 84 THR QG2 86 GLY HN 5.00 1.00E+00 # # Jul-4 # 86 GLY HN 87 ILE QD1 5.50 1.00E+00 # # Jul-4 87 ILE QG2 88 THR HA 5.00 1.00E+00 # # Jul-4 87 ILE QG2 88 THR HB 5.00 1.00E+00 # # Jul-4 87 ILE QG2 88 THR HN 2.70 1.00E+00 # # Jul-4 87 ILE QG2 88 THR QG2 3.30 1.00E+00 # # Jul-4 87 ILE QG2 112 GLU- QB 5.50 # 87 ILE QG2 112 GLU- HG2 5.00 #< 87 ILE QG2 112 GLU- HG3 5.50 #> 87 ILE HB 90 TYR HD1 5.50 1.00E+00 # # Jul-4 87 ILE QD1 90 TYR HD1 3.30 1.00E+00 # # Jul-4 87 ILE QG2 90 TYR HD1 3.30 1.00E+00 # # Jul-4 87 ILE QD1 90 TYR HA 5.50 1.00E+00 # #sdviab 87 ILE QG2 90 TYR HA 5.50 1.00E+00 # #sdviab 87 ILE QD1 90 TYR HB2 5.50 1.00E+00 # # Jul-4 87 ILE QG2 90 TYR HB2 5.00 1.00E+00 # # Jul-4 87 ILE QD1 90 TYR HB3 5.00 1.00E+00 # # Jul-4 87 ILE QG2 90 TYR HB3 5.50 1.00E+00 # # Jul-4 87 ILE QD1 90 TYR HE1 5.00 1.00E+00 # # Jul-4 #4&5-4&5-4&5-4&5-4&5-4&5-4&5-4&5-4&5-%%%%%%%%%%%%% #~~~~~~~~~~~~~HELIX IV & V [65-84;107-123]~~~~~~ #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 71 HIS+ HE1 117 TRP HD1 3.30 1.00E+00 # # Jul-4 71 HIS+ HE1 117 TRP QB 5.50 1.00E+00 #2d 71 HIS+ HA 120 ALA QB 3.30 # 74 GLN HG2 120 ALA HA 5.00 74 GLN HG3 120 ALA HA 5.00 74 GLN HG2 120 ALA QB 5.00 #D 74 GLN HG3 120 ALA QB 5.50#sd 74 GLN QB 120 ALA QB 5.00 # 74 GLN HA 120 ALA QB 5.50 #sd 74 GLN HE21 120 ALA QB 5.50 #3d 74 GLN HE22 120 ALA QB 5.50 #3d 71 HIS+ HE1 121 PHE HD1 3.3 #2d,maybe2.7 71 HIS+ HE1 121 PHE HE1 5.0 #2d # 71 HIS+ HE1 121 PHE HZ 3.3#2d, ov # 74 GLN HN 123 ALA QB 5.5 #sd 74 GLN HA 123 ALA QB 5.5 # 74 GLN QB 123 ALA QB 3.3 #or 5.0 74 GLN HG2 123 ALA QB 5.0 #or 5.0,from 3.3 74 GLN HG3 123 ALA QB 5.0 74 GLN HE21 123 ALA QB 5.0 74 GLN HE22 123 ALA QB 5.0 # #75 LEU HB2 116 LEU HA 5.0 1.00E+00 #sd #75 LEU HB3 116 LEU HA 5.0 1.00E+00 #sd # 75 LEU HG 116 LEU HA 5.50 1.00E+00 #sdviaqqd # 75 LEU HG 116 LEU HG 5.5 #sdviaqqd/over # 75 LEU HG 116 LEU QD1 5.50 #sdviaqqd/over # 75 LEU HG 116 LEU QD2 5.00 #sdviaqqd/over 75 LEU QD2 116 LEU HG 5.50 #sdviaqqd/over # 75 LEU QD2 116 LEU QD1 3.80 #/over 75 LEU QD2 116 LEU QD2 3.30 #tooov # 75 LEU QD1 116 LEU HA 3.30 #tooov 75 LEU QD1 116 LEU QB 5.50 #tooov # 75 LEU QD1 116 LEU HG 5.50 #tooov # 75 LEU QD1 116 LEU QD1 3.80 #tooov 75 LEU QD1 116 LEU QD2 3.30 #tooov 75 LEU QD1 117 TRP HA 5.0 1.00E+00 # sk:7/9 75 LEU QD1 117 TRP HD1 5.50 1.00E+00#sd 75 LEU HG 117 TRP HA 5.0 1.00E+00 # ### # sk:7/9 75 LEU QD2 117 TRP HA 5.50 1.00E+00 # ### 75 LEU HG 117 TRP HD1 3.3 1.00E+00 # # 75 LEU QD2 119 ALA HA 5.50 1.00E+00 #sd 75 LEU QD2 119 ALA HN 5.50 1.00E+00 # 75 LEU QD2 119 ALA QB 5.00 1.00E+00 #<,ov # 75 LEU QD1 119 ALA QB 5.50 1.00E+00 #> 75 LEU HA 120 ALA QB 3.80 1.00E+00#sdviaqd2 75 LEU HN 120 ALA QB 5.00 1.00E+00 75 LEU QD2 120 ALA HN 5.00 1.00E+00# 75 LEU QD2 120 ALA HA 5.00 1.00E+00#< 79 ILE QD1 113 TYR HD1 5.00 1.00E+00 # #@ 79 ILE QD1 113 TYR HE1 3.30 1.00E+00 # #@ # 78 LEU HN 116 LEU QD2 5.50 1.00E+00 #sd 78 LEU QD2 116 LEU QD1 3.80 1.00E+00 #the rest over,sd 78 LEU QD2 116 LEU QD2 3.80 1.00E+00 #tooov 78 LEU QD2 116 LEU HG 3.30 1.00E+00 #ov #75qd2(ss)&78qd1 overlap 75 LEU QD1 78 LEU QD2 5.50 1.00E+00 #>sd 75 LEU QD2 78 LEU QD2 2.70 1.00E+00 #< 75 LEU QD2 78 LEU HN 5.50 1.00E+00 # 75 LEU HA 78 LEU QD2 5.00 1.00E+00 # 79 ILE HA 116 LEU QD1 3.30 1.00E+00 #< 79 ILE HA 116 LEU QD2 5.50 1.00E+00 #> # 79 ILE QG2 116 LEU QD1 5.50 1.00E+00 #sd # 79 ILE QG2 116 LEU QD2 5.50 1.00E+00 #sd 79 ILE QD1 116 LEU QD1 2.90 1.00E+00 #< 79 ILE QD1 116 LEU QD2 3.80 1.00E+00 #> # 82 ALA HA 109 LEU QD2 5.50 1.00E+00 #sdviaqb 82 ALA QB 109 LEU QD1 5.5 1.00E+00 # 74 GLN HE21 124 LEU QD2 5.50 1.00E+00#vvw #L70 & L124 very probably see each other but too much overlap #to assign NOEs between CH3s. # 70 LEU QD2 124 LEU HA 5.50 1.00E+00# 70 LEU QD1 124 LEU HA 5.50 1.00E+00# 70 LEU QD1 125 PRO QG 5.00# 70 LEU QD1 125 PRO HD2 5.50# 70 LEU QD1 125 PRO HD3 5.00# #LLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLL #~~~~~~~~~~~~~LINKER (124-143)~~~~~~~~~~~ #LLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLL #---L124(AIss=>qd1=0.95/26.6;qd2=0.88/23.8)--- 124 LEU HA 124 LEU HN 3.3 # 124 LEU HN 125 PRO HD2 5.00 1.00E+00#min3d 124 LEU HN 125 PRO HD3 5.00 1.00E+00#min3d 124 LEU HA 125 PRO HD2 3.30 1.00E+00 124 LEU HA 125 PRO HD3 3.30 1.00E+00 124 LEU HG 125 PRO HD2 5.50 1.00E+00 #sd 124 LEU HG 125 PRO HD3 5.50 1.00E+00 #sd 124 LEU QD1 125 PRO HD2 5.50 1.00E+00 124 LEU QD1 125 PRO HD3 5.50 1.00E+00 124 LEU QD2 125 PRO HD2 3.30 1.00E+00 124 LEU QD2 125 PRO HD3 3.80 1.00E+00 124 LEU QD2 125 PRO QG 5.00 1.00E+00 124 LEU HG 127 SER QB 5.50 1.00E+00 # # Jul-4 124 LEU HB2 127 SER HN 5.00 1.00E+00 #3d 124 LEU HN 127 SER QB 5.00 1.00E+00 # 124 LEU QD1 127 SER QB 5.50 1.00E+00 # # Jul-4 124 LEU QD2 127 SER QB 5.00 1.00E+00 # # Jul-4 124 LEU QD1 128 ALA QB 5.50 1.00E+00 # #PRO125 #P125 only sequential information, seems exposed. 125 PRO HA 126 GLY HN 3.30 1.00E+00 125 PRO HA 127 SER HN 5.00 1.00E+00 125 PRO HB2 126 GLY HN 5.00 1.00E+00 125 PRO HB3 126 GLY HN 5.00 1.00E+00 125 PRO QG 126 GLY HN 5.00 1.00E+00 #G126NH only sees sequential 125,Qa too crowded. 126 GLY QA 126 GLY HN 2.7 # 126 GLY HN 127 SER HN 3.80 1.00E+00 126 GLY QA 127 SER HN 3.30 1.00E+00 #126 GLY QA 129 LYS+ QD 5.00 1.00E+00#singular #126 GLY QA 129 LYS+ QG 5.50 1.00E+00#singular #127NH overlaps 80, sees nothing clear. 127 SER HA 127 SER HN 3.3 # #127 SER QB 128 ALA HA 5.00 1.00E+00 #exch 127 SER HA 128 ALA HN 2.90 1.00E+00#exch 127 SER HN 128 ALA HN 3.30 1.00E+00#exch 127 SER QB 128 ALA HN 3.30 1.00E+00#exch 127 SER HA 128 ALA QB 5.00 1.00E+00 # # Jul-4 127 SER QB 128 ALA QB 5.50 1.00E+00 127 SER HA 129 LYS+ HN 5.00 1.00E+00 127 SER QB 129 LYS+ HN 5.00 1.00E+00 127 SER HN 130 ASP- HN 5.00 1.00E+00 #128NH does not see anythig but seq & int. 128 ALA HA 128 ALA HN 2.7 # 128 ALA HN 129 LYS+ HN 5.00 1.00E+00#3d 128 ALA HA 129 LYS+ HN 2.70 1.00E+00 128 ALA QB 129 LYS+ HA 5.00 1.00E+00 128 ALA HA 129 LYS+ QE 5.50 1.00E+00 128 ALA QB 129 LYS+ QE 5.50 1.00E+00 128 ALA QB 130 ASP- HN 5.50 1.00E+00 #129HN&129Ha does not see anything but trivial 129 LYS+ HA 129 LYS+ HN 3.3 # 129 LYS+ HN 130 ASP- HN 3.30 1.00E+00 129 LYS+ HA 130 ASP- HN 2.70 1.00E+00 129 LYS+ QB 130 ASP- HN 2.70 1.00E+00 129 LYS+ QD 130 ASP- QB 5.50 1.00E+00 #310-310-310-310-310-310-310-310-310-310-310-% #~~~~~~~~~~~~~310 HELIX (D130-I136)~~~~~~~~~~~ #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% #H-bonds are added as follow #130 ASP- O 133 TRP HN 2.4 #130 ASP- O 133 TRP N 3.2 131 PRO O 134 ALA HN 2.4 131 PRO O 134 ALA N 3.2 132 SER O 135 SER HN 2.4 132 SER O 135 SER N 3.2 133 TRP O 136 ILE HN 2.4 133 TRP O 136 ILE N 3.2 #$$$$$$$$---PRO131 is TRANS---$$$$$$$# #130HN&130Ha do see only trivial. 130NOE = 0.4574 130 ASP- HA 130 ASP- HN 5.0 # 130 ASP- HA 131 PRO HD2 3.30 1.00E+00 130 ASP- HA 131 PRO HD3 3.30 1.00E+00 130 ASP- HA 131 PRO HG2 5.50 1.00E+00#3d 130 ASP- HA 131 PRO HG3 5.50 1.00E+00#3d,or6.0 130 ASP- QB 131 PRO HD2 5.00 1.00E+00 130 ASP- QB 131 PRO HD3 5.00 1.00E+00 #130 ASP- QB 134 ALA QB 5.50 1.00E+00#notin3d 130 ASP- QB 132 SER HN 5.00 1.00E+00# 3d 131 PRO HA 132 SER HN 5.00 1.00E+00 131 PRO HA 133 TRP HN 5.00 1.00E+00#3d,exch 131 PRO HA 133 TRP HE1 5.00 1.00E+00#3d 131 PRO HA 134 ALA HN 5.00 #3d,exch,ov #132 NH is quite weak,only seqa-n m,intras. 132 SER HA 132 SER HN 3.30 #5.5correspondsto3.3! 132 SER HA 136 ILE QD1 5.00 1.00E+00 132 SER QB 136 ILE QD1 5.50 1.00E+00 132 SER HN 133 TRP HN 3.30 #5.5correspondsto3.3! 132 SER HA 133 TRP HN 3.80 #3.3to3.8byexch 132 SER QB 133 TRP HN 3.30 1.00E+00 132 SER HA 134 ALA HN 5.00 #3d 132 SER HA 135 SER HN 5.00 #3_10,ok 132 SER HA 135 SER QB 5.00 # 133 TRP HA 133 TRP HN 3.3 # 133 TRP HA 134 ALA HN 3.8 #3d 133 TRP HN 133 TRP HE3 5.00 1.00E+00 133 TRP HN 134 ALA HN 5.00 1.00E+00 #133 TRP HN 134 ALA QB 5.50 1.00E+00#sd 133 TRP HA 135 SER HN 5.00 1.00E+00#3_10 133 TRP HN 135 SER HN 5.00 1.00E+00 133 TRP HN 136 ILE QD1 5.00 1.00E+00 133 TRP HA 136 ILE QD1 5.00 1.00E+00 133 TRP HA 136 ILE HN 5.00 1.00E+00#3_10,ok 133 TRP HN 136 ILE HN 5.50 1.00E+00 133 TRP HE1 155 LEU HA 5.50 1.00E+00#3d #There is something probably overlapping with qd2155 that #gives an NOE with he3-133 and 3.83ppm 133 TRP HE1 155 LEU QD2 5.50 1.00E+00 #3dns # 133 TRP HE3 155 LEU QD2 3.3 #2d 133 TRP HD1 155 LEU QD2 5.5 #2d,sdviahe1=>5.5 133 TRP HH2 155 LEU QD2 5.5 #2d vw 133 TRP HZ2 155 LEU QD2 5.5 #2d vw 133 TRP HZ3 155 LEU QD2 5.5 #2d vvw #133 TRP HE1 155 LEU QD1 3.80 1.00E+00 #3dns/ov159qd2 #133 TRP HZ2 155 LEU QD1 3.3 #2d/ov159qd2 #133 TRP HH2 155 LEU QD1 5.0 #2d/ov159qd2 #134 HN very weak 134 ALA HA 134 ALA HN 5.5 # weak plane 134 ALA HA 135 SER HN 5.0 #sd 134 ALA HN 135 SER HN 3.30 1.00E+00 134 ALA HN 136 ILE HN 5.50 1.00E+00 134 ALA QB 135 SER HN 3.80 1.00E+00#sd 134 ALA HA 136 ILE HN 5.50 1.00E+00#3_10,ok #134 ALA QB 136 ILE HN 5.50 1.00E+00#sd 135 SER HA 135 SER HN 2.7 # 135 SER HA 136 ILE HN 3.3 # 135 SER HN 136 ILE HG12 5.50 1.00E+00 135 SER HN 136 ILE HG13 5.50 1.00E+00 135 SER HN 136 ILE HN 2.90 1.00E+00 #135 SER HN 136 ILE HB 5.50 1.00E+00#sd 135 SER HN 136 ILE QD1 5.00 1.00E+00 135 SER HN 136 ILE QG2 5.50 1.00E+00#sd 135 SER QB 136 ILE HN 5.00 1.00E+00 135 SER HA 137 LEU QD1 3.80 1.00E+00#(5.0by3d<) 135 SER HA 137 LEU QD2 5.50 1.00E+00#(5.5by3d>) 135 SER HA 137 LEU HG 5.00 1.00E+00# 136 ILE HA 136 ILE HN 3.3 # 136 ILE HN 137 LEU QD2 5.00 1.00E+00 136 ILE HN 137 LEU HN 5.00 1.00E+00# maybe3.8 136 ILE HA 137 LEU HN 2.90 1.00E+00 136 ILE HG13 137 LEU HN 5.00 1.00E+00 #136 ILE QD1 137 LEU HN 5.00 1.00E+00#sd 136 ILE QG2 137 LEU HN 3.30 1.00E+00#sd 137 LEU HA 137 LEU HN 5.0 # #137 LEU HA 137 LEU QD2 3.8 #< 137 LEU HA 138 GLN HN 2.9 #3d 137 LEU HN 138 GLN HN 5.50 1.00E+00 137 LEU HG 138 GLN HN 5.00 1.00E+00 137 LEU QB 138 GLN HN 5.00 1.00E+00 #137 LEU QD1 138 GLN HN 5.50 1.00E+00#> #137 LEU QD2 138 GLN HN 3.80 1.00E+00# qd1:1.11/25.16;qd2:1.08/23.62) 140 LEU HA 140 LEU HN 5.0 # 140 LEU HA 141 GLU- HN 3.8 #sd,could be 3.3 140 LEU HN 141 GLU- HN 2.90 1.00E+00#sd 140 LEU HN 141 GLU- QG 5.00 1.00E+00 140 LEU HN 142 GLU- HN 5.00 1.00E+00#3d,sd 140 LEU HA 141 GLU- QG 5.00 1.00E+00 #140 LEU HA 141 GLU- QB 5.00 1.00E+00diff #140 LEU HA 141 GLU- HB2 5.50 1.00E+00 # took out 7/07/98 #140 LEU HA 141 GLU- HB3 5.00 1.00E+00diff 140 LEU QD1 141 GLU- HN 5.00 1.00E+00 140 LEU QD2 141 GLU- HN 5.50 1.00E+00 #140 LEU HG 141 GLU- HN 5.00 1.00E+00#sd 140 LEU QB 141 GLU- HN 3.30 1.00E+00 140 LEU HG 141 GLU- QG 5.00 1.00E+00 140 LEU QB 141 GLU- QG 5.00 1.00E+00 140 LEU QD1 141 GLU- QG 5.00 1.00E+00 140 LEU QD2 141 GLU- QG 5.00 1.00E+00 140 LEU HA 142 GLU- HN 5.50# 141 GLU- HA 141 GLU- HN 3.3 # 141 GLU- HN 142 GLU- HN 2.90 1.00E+00 141 GLU- HA 142 GLU- HN 3.30 1.00E+00#from 5.00 141 GLU- HB2 142 GLU- HN 5.00 1.00E+00 141 GLU- HB3 142 GLU- HN 5.00 1.00E+00 141 GLU- QG 142 GLU- HN 5.00 1.00E+00 # 141 GLU- HA 205 TRP HZ2 5.50 1.00E+00 # ###5.0to5.5 141 GLU- HA 205 TRP HH2 5.00 1.00E+00 # ### 142 GLU- HA 142 GLU- HN 5.0 # #PRO143. As Ha 142 is under H2O, can not see seq noes #and cis/trans conformation of 142-143 unknown. #Calculations should be conducted with cis and #trans noes and results compared.Possible qb,qg assigned #but do not see anything. 143 PRO HA 144 TYR HN 2.9 #3donly 143 PRO HA 145 HIS+ HN 5.5 #3d 143 PRO HA 146 ALA QB 5.50 1.00E+00 143 PRO QB 146 ALA QB 5.00 1.00E+00 143 PRO QB 146 ALA HN 3.30 1.00E+00# 143 PRO QB 147 PHE HN 5.00 1.00E+00#
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