NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | type |
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12636 |
1tap   |
cing | 1-original | 1 | comment |
REMARK 1 1TAP 7
REMARK 1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION 1TAP 8
REMARK 1 OF THE THREE-DIMENSIONAL STRUCTURE OF TICK ANTICOAGULANT 1TAP 9
REMARK 1 PROTEIN BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY IN 1TAP 10
REMARK 1 SOLUTION. 1TAP 11
REMARK 1 THE DIFFERENT KINDS OF DATA, TOGETHER WITH THE CORRESPONDING 1TAP 12
REMARK 1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE 1TAP 13
REMARK 1 REMARK 2 FOR THE DETAILS. 1TAP 14
REMARK 1 1TAP 15
REMARK 1 RECORD CONTENT UNIT 1TAP 16
REMARK 1 ------ ------------------------------------------- --------- 1TAP 17
REMARK 1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS PPM 1TAP 18
REMARK 1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS HERTZ 1TAP 19
REMARK 1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1TAP 20
REMARK 1 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS 1TAP 21
REMARK 1 SSUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1TAP 22
REMARK 1 FOR DISULPHIDE BRIDGES 1TAP 23
REMARK 1 SSLOW LOWER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1TAP 24
REMARK 1 FOR DISULPHIDE BRIDGES 1TAP 25
REMARK 1 ANGLE TORSION ANGLE CONSTRAINTS IN THE FORM OF DEGREES 1TAP 26
REMARK 1 AN ALLOWED INTERVAL 1TAP 27
REMARK 1 1TAP 28
REMARK 1 ALL EXPERIMENTAL INPUT DATA (EXCEPT FOR THE AMINO ACID 1TAP 29
REMARK 1 SEQUENCE) FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE 1TAP 30
REMARK 1 PROGRAM DIANA AND REFINEMENT WITH AMBER IS GIVEN IN THE 1TAP 31
REMARK 1 RECORDS NOEUPP, SSUPP, SSLOW AND ANGLE. 1TAP 32
REMARK 2 1TAP 33
REMARK 2 1TAP 34
REMARK 2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE 1TAP 35
REMARK 2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE 1TAP 36
REMARK 2 MASTER RECORD. 1TAP 37
REMARK 2 1TAP 38
REMARK 2 RECORD CONTENTS (FORTRAN FORMAT) 1TAP 39
REMARK 2 ------ ----------------------------------------------------- 1TAP 40
REMARK 2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL 1TAP 41
REMARK 2 SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME, 1TAP 42
REMARK 2 CHEMICAL SHIFT(S) 1TAP 43
REMARK 2 ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X)) 1TAP 44
REMARK 2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM 1TAP 45
REMARK 2 NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM 1TAP 46
REMARK 2 NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM 1TAP 47
REMARK 2 NAME, J-COUPLING CONSTANT 1TAP 48
REMARK 2 ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X)) 1TAP 49
REMARK 2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM 1TAP 50
REMARK 2 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 1TAP 51
REMARK 2 SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM 1TAP 52
REMARK 2 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 1TAP 53
REMARK 2 SECOND ATOM NAME, UPPER DISTANCE LIMIT 1TAP 54
REMARK 2 ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X)) 1TAP 55
REMARK 2 SSUPP SIMILAR TO NOEUPP 1TAP 56
REMARK 2 SSLOW SIMILAR TO NOEUPP 1TAP 57
REMARK 2 ANGLE RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND 1TAP 58
REMARK 2 UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND 1TAP 59
REMARK 2 ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X)) 1TAP 60
REMARK 2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS, 1TAP 61
REMARK 2 NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS, 1TAP 62
REMARK 2 NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF 1TAP 63
REMARK 2 NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE 1TAP 64
REMARK 2 RECORDS 1TAP 65
REMARK 2 ('MASTER',4X,7I5) 1TAP 66
REMARK 3 1TAP 67
REMARK 3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS 1TAP 68
REMARK 3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY 1TAP 69
REMARK 3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE 1TAP 70
REMARK 3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM 1TAP 71
REMARK 3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE 1TAP 72
REMARK 3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER 1TAP 73
REMARK 3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES. 1TAP 74
REMARK 3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE 1TAP 75
REMARK 3 COORDINATE FILE 1TAP. 1TAP 76
REMARK 4 1TAP 77
REMARK 4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE 1TAP 78
REMARK 4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS 1TAP 79
REMARK 4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983) 1TAP 80
REMARK 4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL 1TAP 81
REMARK 4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR 1TAP 82
REMARK 4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED. 1TAP 83
REMARK 4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS, 1TAP 84
REMARK 4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS. 1TAP 85
REMARK 4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO 1TAP 86
REMARK 4 METHYLS IN THE ISOPROPYL GROUPS. 1TAP 87
REMARK 5 1TAP 88
REMARK 5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE 1TAP 89
REMARK 5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN 1TAP 90
REMARK 5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ... 1TAP 91
REMARK 5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF 1TAP 92
REMARK 5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS 1TAP 93
REMARK 5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE 1TAP 94
REMARK 5 HYDROGEN ATOMS ARE ATTACHED. 1TAP 95
REMARK 5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN 1TAP 96
REMARK 5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 1TAP 97
REMARK 5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON 1TAP 98
REMARK 5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. WHERE THE 1TAP 99
REMARK 5 DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS HAVE BEEN 1TAP 100
REMARK 5 INDIVIDUALLY IDENTIFIED BUT ARE DEGENERATE IN THE ONE AND 1TAP 101
REMARK 5 TWO POSITIONS, THE CHEMICAL SHIFTS WERE LISTED UNDER CG AND 1TAP 102
REMARK 5 CZ RESPECTIVELY. 1TAP 103
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