NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	type
	2649	1cdn	327	cing	1-original	2	comment

REMARK   3 NOE DERIVED DISTANCE UPPER BOUND RESTRAINTS--
REMARK   3   THE COMPLETE SET OF DISTANCE UPPER-BOUNDS DERIVED FROM NOES
REMARK   3   FOR (CD2+)1 CALBINDIN D9K ARE GIVEN BELOW.  
REMARK   3   THESE ARE THE "RAW" CONSTRAINTS WITHOUT ANY CORRECTIONS 
REMARK   3   APPLIED TO BOUNDS INVOLVING NON-STEREO-SPECIFICALLY 
REMARK   3   ASSIGNED PROTONS.
REMARK   3   THE BOUNDS ARE DERIVED DIFFERENTLY FOR *DISGEO* AND *AMBER 
REMARK   3   CALCULATIONS, DEPENDING ON THE TREATMENT OF NON-STEREO-
REMARK   3   SPECIFICALLY ASSIGNED PROTONS.
REMARK   3
REMARK   3   RESTRAINTS EXACTLY AS WOULD BE USED FOR *DISGEO* AND
REMARK   3   *AMBER* CALCULATIONS MAY BE OBTAINED VIA EMAIL FROM THE
REMARK   3   AUTHORS: CHAZIN@SCRIPPS.EDU
REMARK   3
REMARK   3   *DISGEO*- A MIXED PSEUDO-ATOM/ALL-ATOM REPRESENTATION WAS
REMARK   3     USED IN WHICH ALL ALPHA, BETA, GAMMA, AND DELTA
REMARK   3     METHYLENE PROTONS ARE REPRESENTED BY EITHER PROTON OR
REMARK   3     PSEUDO-ATOM POINTS.
REMARK   3
REMARK   3   *AMBER*- ALL-ATOM STRUCTURES WERE USED. (R**-6) DISTANCE
REMARK   3     WEIGHTING WAS USED FOR ALL NON-STEREO-SPECIFICALLY
REMARK   3     ASSIGNED DIASTEREOTOPIC PROTONS, INCLUDING METHYL
REMARK   3     GROUPS. AMBIGUOUS NOE RESTRAINTS (CHEMICAL-SHIFT
REMARK   3     DEGENERATE VAL AND LEU METHYLS, OR WHEN ONLY ONE OF
REMARK   3     TWO NON-STEREO-ASSIGNED METHYLS EXHIBITS AN NOE),
REMARK   3     ARE REFERRED TO COMMON CB OR CG ATOMS, RESPECTIVELY.
REMARK   3
REMARK   3     PSEUDOATOM NAMES ARE USED FOR DIASTEREOTOPIC PROTONS,
REMARK   3     FOR WHICH STEREOSPECIFIC ASSIGNMENTS COULD NOT BE MADE,
REMARK   3     AS INDICATED BY A LEADING "Q".  METHYL AND METHYLENE
REMARK   3     GROUP PROTONS ARE INDICATED BY "M" AND "H", RESPECTIVELY.
REMARK   3
REMARK   3   THE FOLLOWING LIST CONTAINS
REMARK   3     203 INTRARESIDUE NOES
REMARK   3     237 SEQUENTIAL NOES
REMARK   3     240 MEDIUM-RANGE NOES
REMARK   3     265 LONG-RANGE NOES
REMARK   3     945 TOTAL NOES
REMARK   3
REMARK   3   TABLE OF DISTANCE RESTRAINT UPPER BOUNDS (IN ANGSTROMS)
REMARK   3          ATOM 1          ATOM 2      DISTBND
REMARK   3        -----------------------------------------------

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