NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
5563 | 1hom | 1037 | cing | 1-original | MR format | comment |
*HEADER DNA-BINDING PROTEIN 08-OCT-91 1HOM 1HOM *COMPND ANTENNAPEDIA PROTEIN (HOMEODOMAIN) (NMR, 19 STRUCTURES) 1HOM *SOURCE (DROSOPHILA MELANOGASTER) RECOMBINANT FORM EXPRESSED 1HOM *SOURCE 2 IN (ESCHERICHIA COLI) 1HOM *AUTHOR Y.-Q.QIAN,M.BILLETER,G.OTTING,M.MULLER,W.J.GEHRING, 1HOM *AUTHOR 2 K.WUTHRICH 1HOM *REVDAT 1 31-OCT-93 1HOM 0 1HOM REMARK 1 1HOM 8 REMARK 1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION 1HOM 9 REMARK 1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE ANTENNAPEDIA 1HOM 10 REMARK 1 HOMEODOMAIN BY NUCLEAR MAGNETIC RESONANCE IN SOLUTION. 1HOM 11 REMARK 1 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING 1HOM 12 REMARK 1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE 1HOM 13 REMARK 1 REMARK 2 FOR THE DETAILS. 1HOM 14 REMARK 1 1HOM 15 REMARK 1 RECORD CONTENT UNIT 1HOM 16 REMARK 1 ------ ------------------------------------------- --------- 1HOM 17 REMARK 1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS PPM 1HOM 18 REMARK 1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS HERTZ 1HOM 19 REMARK 1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1HOM 20 REMARK 1 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS 1HOM 21 REMARK 1 HBUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1HOM 22 REMARK 1 FOR HYDROGEN BONDS 1HOM 23 REMARK 1 SSUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1HOM 24 REMARK 1 FOR DISULPHIDE BRIDGES 1HOM 25 REMARK 1 NOELOW LOWER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1HOM 26 REMARK 1 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS 1HOM 27 REMARK 1 (NOT USED HERE) 1HOM 28 REMARK 1 HBLOW LOWER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1HOM 29 REMARK 1 FOR HYDROGEN BONDS 1HOM 30 REMARK 1 SSLOW LOWER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1HOM 31 REMARK 1 FOR DISULPHIDE BRIDGES 1HOM 32 REMARK 1 ANGLE TORSION ANGLE CONSTRAINTS IN THE FORM OF DEGREES 1HOM 33 REMARK 1 AN ALLOWED INTERVAL 1HOM 34 REMARK 1 1HOM 35 REMARK 1 ALL EXPERIMENTAL INPUT DATA (EXCEPT THE AMINO ACID SEQUENCE) 1HOM 36 REMARK 1 FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE PROGRAM 1HOM 37 REMARK 1 DISMAN AND REFINEMENT WITH AMBER IS GIVEN IN THE RECORDS 1HOM 38 REMARK 1 NOEUPP, HBUPP, SSUPP, HBLOW,SSLOW AND ANGLE. 1HOM 39 REMARK 2 1HOM 40 REMARK 2 1HOM 41 REMARK 2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE 1HOM 42 REMARK 2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE 1HOM 43 REMARK 2 MASTER RECORD. 1HOM 44 REMARK 2 1HOM 45 REMARK 2 RECORD CONTENTS (FORTRAN FORMAT) 1HOM 46 REMARK 2 ------ ----------------------------------------------------- 1HOM 47 REMARK 2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL 1HOM 48 REMARK 2 SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME, 1HOM 49 REMARK 2 CHEMICAL SHIFT(S) 1HOM 50 REMARK 2 ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X)) 1HOM 51 REMARK 2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM 1HOM 52 REMARK 2 NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM 1HOM 53 REMARK 2 NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM 1HOM 54 REMARK 2 NAME, J-COUPLING CONSTANT 1HOM 55 REMARK 2 ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X)) 1HOM 56 REMARK 2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM 1HOM 57 REMARK 2 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 1HOM 58 REMARK 2 SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM 1HOM 59 REMARK 2 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 1HOM 60 REMARK 2 SECOND ATOM NAME, UPPER DISTANCE LIMIT 1HOM 61 REMARK 2 ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X)) 1HOM 62 REMARK 2 HBUPP SIMILAR TO NOEUPP 1HOM 63 REMARK 2 SSUPP SIMILAR TO NOEUPP 1HOM 64 REMARK 2 NOELOW SIMILAR TO NOEUPP, BUT WITH LOWER DISTANCE LIMITS 1HOM 65 REMARK 2 HBLOW SIMILAR TO NOELOW 1HOM 66 REMARK 2 SSLOW SIMILAR TO NOELOW 1HOM 67 REMARK 2 ANGLE RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND 1HOM 68 REMARK 2 UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND 1HOM 69 REMARK 2 ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X)) 1HOM 70 REMARK 2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS, 1HOM 71 REMARK 2 NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS, 1HOM 72 REMARK 2 NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF 1HOM 73 REMARK 2 NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE 1HOM 74 REMARK 2 RECORDS 1HOM 75 REMARK 2 ('MASTER',4X,7I5) 1HOM 76 REMARK 3 1HOM 77 REMARK 3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS 1HOM 78 REMARK 3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY 1HOM 79 REMARK 3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE 1HOM 80 REMARK 3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM 1HOM 81 REMARK 3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE 1HOM 82 REMARK 3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER 1HOM 83 REMARK 3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES. 1HOM 84 REMARK 3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO- 1HOM 85 REMARK 3 ORDINATE FILE 1HOM. 1HOM 86 REMARK 4 1HOM 87 REMARK 4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE 1HOM 88 REMARK 4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS 1HOM 89 REMARK 4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983) 1HOM 90 REMARK 4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL 1HOM 91 REMARK 4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR 1HOM 92 REMARK 4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED. 1HOM 93 REMARK 4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS, 1HOM 94 REMARK 4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS. 1HOM 95 REMARK 4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO 1HOM 96 REMARK 4 METHYLS IN THE ISOPROPYL GROUPS. 1HOM 97 REMARK 5 1HOM 98 REMARK 5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE 1HOM 99 REMARK 5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN 1HOM 100 REMARK 5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ... 1HOM 101 REMARK 5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF 1HOM 102 REMARK 5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS 1HOM 103 REMARK 5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE 1HOM 104 REMARK 5 HYDROGEN ATOMS ARE ATTACHED. 1HOM 105 REMARK 5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN 1HOM 106 REMARK 5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 1HOM 107 REMARK 5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON 1HOM 108 REMARK 5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. IN THE CASE 1HOM 109 REMARK 5 THE DELTA AND EPSILON PROTONS OF THE AROMATIC RINGS 1HOM 110 REMARK 5 ARE DEGENERATE, THE CHEMICAL SHIFTS ARE LISTED UNDER CG 1HOM 111 REMARK 5 AND CZ, RESPECTIVELY. 1HOM 112 REMARK 5 1HOM 113
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