1% BBReader
Program BBReader version 0.9b is running
Input BIOMAG file name :hewlys.dat
Chemical shift data is available for the following nuclei:
1H
How many dimensions should your spectrum have? (1-3) : 2
Only 1H available from the BMRB-file! Assigning 1H to all dimensions!
Is the magnetization transfer between
dimension 1 and 2 of COSY or NOESY-type? (c/n) : n
Input PDB file name (enter "0", if you wish to work with
BioMagRes-File only) : hew.pdb
PDB File hew.pdb read
Do you want a logfile written (will be named 'RBMlog.out')? (y/n) : y
BIOMAG File hewlys.dat read
Do you like: - a list of possible cross-peaks within a shift-range (l)
or - an ordered list of the best hits for a certain cross-peak?
(r)
(l/r) : r
Input first dimension (nucleus H) chem shift : 4.05
Input second dimension (nucleus H) chem shift : 7.08
GLY 104 HA2/HA3 4.06 ppm | MET 105 H 7.06 ppm | nearest 2.27 A |sc= 98
GLY 104 HA2/HA3 4.06 ppm | TYR 23 HD1/HD2 7.05 ppm | nearest 5.28 A | sc= 88
ILE 58 HA 4.02 ppm | TRP 108 HD1 7.10 ppm | dist 5.52 A | sc= 83
ARG 61 HA 4.10 ppm | TRP 62 HD1 7.11 ppm | dist 5.30 A | sc= 78
THR 40 HA 4.07 ppm | PHE 3 HD2/HD1 7.03 ppm | nearest 5.51 A | sc= 77
ALA 32 HA 4.02 ppm | TRP 108 HD1 7.10 ppm | dist 6.00 A | sc= 75
GLY 4 HA2/HA3 4.01 ppm | PHE 3 HD1/HD2 7.03 ppm | nearest 5.52 A | sc= 72
ILE 58 HA 4.02 ppm | TYR 53 HD2/HD1 7.12 ppm | nearest 5.97 A | sc= 70
GLU 7 HA 4.12 ppm | PHE 3 HD1/HD2 7.03 ppm | nearest 4.75 A | sc= 67
SER 100 HB2/HB3 4.11 ppm | TRP 63 HH2 7.08 ppm | nearest 6.10 A | sc= 63
GLY 104 HA2/HA3 4.06 ppm | TRP 111 HZ3 7.04 ppm | nearest 6.55 A | sc= 61
GLY 4 HA2/HA3 4.01 ppm | PHE 38 HD1/HD2 6.99 ppm | nearest 4.42 A | sc= 60
TRP 123 HA 4.12 ppm | TRP 123 HZ3 7.14 ppm | dist 5.09 A | sc= 60
Data statistics for 1H (from available residues!):
The molecule contains 959 1H-nuclei
of which 263 are exchangeable.
951 protons are in the PDB-file
and 683 are in the BioMagRes-file.