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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25722 |
2kbl   |
16090 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! ILE 3
assign (residue 3 and name HB) (residue 3 and name HN) 3 1 0.5
assign (residue 3 and name HA) (residue 3 and name HB) 3 1 0.5
!ARG 5 {P4|P7|R5|T25 HA}
assign (residue 5 and name HB1) (residue 5 and name HN) 2 0 0.7
assign (residue 5 and name HB2) (residue 5 and name HN) 2 0 0.7
assign (residue 5 and name HA) (residue 5 and name HB1) 4 1 0.5
assign (residue 5 and name HA) (residue 5 and name HB2) 2 0 0.7
!ARG 8
assign (residue 8 and name HA) (residue 8 and name HB1) 2 0 0.7
assign (residue 8 and name HA) (residue 8 and name HB2) 2 0 0.7
assign (residue 8 and name HB1) (residue 8 and name HN) 2 0 0.7
assign (residue 8 and name HB2) (residue 8 and name HN) 4 1 0.5
! ASP 9
assign (residue 9 and name HA) (residue 9 and name HB1) 2 0 0.7
assign (residue 9 and name HA) (residue 9 and name HB2) 2 0 0.7
assign (residue 9 and name HB1) (residue 9 and name HN) 2 0 0.7
assign (residue 9 and name HB2) (residue 9 and name HN) 4 1 0.5
! GLN 11
assign (residue 11 and name HA) (residue 11 and name HB1) 3 1 0.5
assign (residue 11 and name HA) (residue 11 and name HB2) 3 1 0.5
assign (residue 11 and name HB1) (residue 11 and name HN) 3 1 0.5
assign (residue 11 and name HB2) (residue 11 and name HN) 3 1 0.5
! TYR 13
assign (residue 13 and name HA) (residue 13 and name HB1) 2 0 0.7
assign (residue 13 and name HA) (residue 13 and name HB2) 4 1 0.5
assign (residue 13 and name HN) (residue 13 and name HB1) 4 1 0.5
assign (residue 13 and name HN) (residue 13 and name HB2) 2 0 0.7
assign (residue 13 and name HN) (residue 13 and name HD#) 3 1 3
! ARG 15 {R15 HA/K16 HA}
assign (residue 15 and name HG1) (residue 15 and name HN) 3 1 2
assign (residue 15 and name HG2) (residue 15 and name HN) 2 0 3
! LYS 16 {K16 HA/R15 HA}
assign (residue 16 and name HD#) (residue 16 and name HN) 4 2 2
!GLY 18
assign (residue 18 and name HA1) (residue 18 and name HN) 2 0 0.7
assign (residue 18 and name HA2) (residue 18 and name HN) 2 0 0.7
! GLU 19
assign (residue 19 and name HA) (residue 19 and name HB1) 2 0 0.7
assign (residue 19 and name HA) (residue 19 and name HB2) 4 1 0.5
assign (residue 19 and name HN) (residue 19 and name HB1) 4 1 0.5
assign (residue 19 and name HN) (residue 19 and name HB2) 2 0 0.7
! TRP 20
assign (residue 20 and name HA) (residue 20 and name HB1) 2 0 0.7
assign (residue 20 and name HA) (residue 20 and name HB2) 4 1 0.5
assign (residue 20 and name HN) (residue 20 and name HB1) 4 1 0.5
assign (residue 20 and name HN) (residue 20 and name HB2) 2 0 0.7
assign (residue 20 and name HA) (residue 20 and name HE3) 3 1 2
assign (residue 20 and name HN) (residue 20 and name HD1) 3 1 2
assign (residue 20 and name HE3) (residue 20 and name HN) 4 2 1
!LEU 22
assign (residue 22 and name HA) (residue 22 and name HB1) 3 1 0.5
assign (residue 22 and name HA) (residue 22 and name HB2) 2 0 0.7
assign (residue 22 and name HN) (residue 22 and name HB1) 2 0 0.7
assign (residue 22 and name HN) (residue 22 and name HB2) 2 0 0.7
assign (residue 22 and name HA) (residue 22 and name HD1#) 4 2 2
assign (residue 22 and name HA) (residue 22 and name HD2#) 4 2 2
assign (residue 22 and name HB2) (residue 22 and name HD1#) 3 1 1.6
assign (residue 22 and name HB2) (residue 22 and name HD2#) 3 1 1.6
!LEU 23 {L23 HB2/L27 HB# | L23 HD1#/L27 HD1#}
assign (residue 23 and name HA) (residue 23 and name HB1) 3 1 0.5
assign (residue 23 and name HA) (residue 23 and name HB2) 3 1 0.5
assign (residue 23 and name HG) (residue 23 and name HN) 2 0 0.7
assign (residue 23 and name HA) (residue 23 and name HG) 3 1 0.5
assign (residue 23 and name HD1#) (residue 23 and name HN) 3 1 1.6
assign (residue 23 and name HD2#) (residue 23 and name HN) 3 1 1.6
!SER 24
assign (residue 24 and name HA) (residue 24 and name HB1) 2 0 0.7
assign (residue 24 and name HA) (residue 24 and name HB2) 2 0 0.7
assign (residue 24 and name HN) (residue 24 and name HB1) 2 0 0.7
assign (residue 24 and name HN) (residue 24 and name HB2) 4 1 0.5
!THR 25
assign (residue 25 and name HA) (residue 25 and name HG2#) 3 1 2
assign (residue 25 and name HB) (residue 25 and name HN) 3 1 0.5
assign (residue 25 and name HG2#) (residue 25 and name HN) 3 1 2
!PHE 26 {F26 HN/I3 HN}
assign (residue 26 and name HA) (residue 26 and name HB1) 2 0 0.7
assign (residue 26 and name HA) (residue 26 and name HB2) 4 1 0.5
assign (residue 26 and name HN) (residue 26 and name HB1) 4 1 0.5
assign (residue 26 and name HN) (residue 26 and name HB2) 2 0 0.7
assign (residue 26 and name HD#) (residue 26 and name HN) 3 1 2.5
! TYR 2 HN is missing
assign (residue 2 and name HA) (residue 3 and name HN) 2 0 0.5
assign (residue 2 and name HA) (residue 3 and name HG1#) 4 2 2
assign (residue 2 and name HA) (residue 3 and name HB) 4 2 1
! ILE 3
assign (residue 3 and name HA) (residue 4 and name HG#) 4 2 2
assign (residue 3 and name HA) (residue 4 and name HD1) 2 0 0.5
assign (residue 3 and name HA) (residue 4 and name HD2) 2 0 0.5
assign (residue 3 and name HB) (residue 4 and name HD1) 4 2 2
assign (residue 3 and name HB) (residue 4 and name HD2) 4 2 2
! PRO 4 {P4|P7|R5|T25 HA}
assign (residue 4 and name HD1) (residue 3 and name HG2#) 4 2 2
assign (residue 4 and name HD2) (residue 3 and name HG2#) 4 2 2
assign (residue 4 and name HB#) (residue 5 and name HN) 3 1 2
assign (residue 4 and name HG#) (residue 5 and name HN) 3 1 2
assign (residue 5 and name HA) (residue 6 and name HB#) 4 2 2
!ALA 6
assign (residue 6 and name HA) (residue 7 and name HG#) 4 2 2.0
assign (residue 6 and name HA) (residue 7 and name HD#) 2 0 1.5
assign (residue 7 and name HD2) (residue 6 and name HB#) 4 2 2
assign (residue 7 and name HD1) (residue 6 and name HB#) 4 2 2
! PRO 7
assign (residue 7 and name HB#) (residue 8 and name HN) 3 1 2 {HB# degenerate}
assign (residue 7 and name HG#) (residue 8 and name HN) 3 1 2 {HG# degenerate}
assign (residue 7 and name HA) (residue 8 and name HN) 2 0 0.7
assign (residue 8 and name HA) (residue 7 and name HG#) 4 2 2
!ARG 8
assign (residue 9 and name HA) (residue 8 and name HN) 4 2 1
assign (residue 9 and name HN) (residue 8 and name HN) 3 1 0.5
! ASP 9
assign (residue 8 and name HA) (residue 9 and name HN) 2 0 0.7
assign (residue 8 and name HB1) (residue 9 and name HN) 3 1 1
assign (residue 8 and name HB2) (residue 9 and name HN) 3 1 1
!GLY 10
assign (residue 9 and name HN) (residue 10 and name HN) 3 1 0.5
assign (residue 9 and name HB1) (residue 10 and name HN) 4 2 1
assign (residue 9 and name HB2) (residue 10 and name HN) 4 2 1
assign (residue 10 and name HA1) (residue 11 and name HN) 3 1 0.5
assign (residue 10 and name HA2) (residue 11 and name HN) 3 1 0.5
assign (residue 10 and name HN) (residue 11 and name HN) 3 1 0.5
! GLN 11
assign (residue 11 and name HA) (residue 12 and name HN) 2 0 0.7
assign (residue 11 and name HA) (residue 12 and name HB#) 4 2 2 {ol}
assign (residue 11 and name HB#) (residue 12 and name HN) 3 1 2
assign (residue 11 and name HG1) (residue 12 and name HN) 4 2 1
assign (residue 11 and name HG2) (residue 12 and name HN) 4 2 1
! ALA 12 {A12 HN / R8 HN}
assign (residue 12 and name HN) (residue 11 and name HN) 3 1 0.5
assign (residue 12 and name HB#) (residue 11 and name HN) 4 2 2
assign (residue 12 and name HB#) (residue 13 and name HE#) 4 2 4.4
assign (residue 12 and name HA) (residue 13 and name HD#) 3 1 2.6
assign (residue 12 and name HB#) (residue 13 and name HD#) 4 2 4.4
! TYR 13 {Y13 HN is weak due to exchange}
assign (residue 13 and name HD#) (residue 12 and name HN) 4 2 3.4
assign (residue 13 and name HE#) (residue 12 and name HN) 4 2 3.4
assign (residue 13 and name HD#) (residue 14 and name HN) 4 2 3.4
! VAL 14 HN is weak due to exchange V14 HG1#/V21 HG2#
assign (residue 14 and name HA) (residue 13 and name HD#) 4 2 3.1
assign (residue 14 and name HG1#) (residue 15 and name HN) 4 2 2
assign (residue 14 and name HG2#) (residue 15 and name HN) 4 2 2
assign (residue 14 and name HG1#) (residue 15 and name HA) 4 2 2
assign (residue 14 and name HG2#) (residue 15 and name HA) 4 2 2
! ARG 15 {R15 HA/K16 HA}
assign (residue 15 and name HB#) (residue 16 and name HN) 3 1 2
assign (residue 15 and name HG#) (residue 16 and name HN) 4 2 2
assign (residue 15 and name HD#) (residue 16 and name HN) 4 2 2
! LYS 16 {K16 HA/R15 HA}
assign (residue 16 and name HG2) (residue 17 and name HN) 4 2 1
assign (residue 16 and name HG1) (residue 17 and name HN) 4 2 1
assign (residue 16 and name HA) (residue 17 and name HN) 3 1 0.5
! ASP 17 HN is weak due to exchange no further noes from HB to any other proton
assign (residue 17 and name HN) (residue 16 and name HN) 4 2 0.5
! GLU 19 no other noes
assign (residue 19 and name HA) (residue 20 and name HD1) 4 2 1
assign (residue 19 and name HB1) (residue 20 and name HN) 3 1 0.5
assign (residue 19 and name HB2) (residue 20 and name HN) 4 2 1
assign (residue 19 and name HG1) (residue 20 and name HN) 4 2 1
assign (residue 19 and name HG2) (residue 20 and name HN) 4 2 1
! TRP 20 no other noes from HA or HB to further protons
assign (residue 20 and name HA) (residue 21 and name HG#) 3 1 2.3
! VAL 21 HN weaker due to exchange V21 HG2#/V14 HG1# no further noes
assign (residue 21 and name HG#) (residue 22 and name HN) 4 2 3.3
assign (residue 21 and name HA) (residue 22 and name HB1) 4 2 1
assign (residue 21 and name HA) (residue 22 and name HB2) 4 2 1
assign (residue 21 and name HG#) (residue 20 and name HZ3) 4 2 3.3
!LEU 22
assign (residue 22 and name HG) (residue 23 and name HN) 4 2 1
assign (residue 22 and name HD1#) (residue 23 and name HN) 4 2 2
assign (residue 22 and name HD2#) (residue 23 and name HN) 4 2 2
!LEU 23 {L23 HB2/L27 HB# | L23 HD1#/L27 HD1#}
assign (residue 23 and name HN) (residue 24 and name HN) 3 1 1.5
assign (residue 23 and name HB1) (residue 24 and name HN) 3 1 0.5
assign (residue 23 and name HB2) (residue 24 and name HN) 3 1 1.5
assign (residue 23 and name HD1#) (residue 24 and name HN) 3 1 2
assign (residue 23 and name HD2#) (residue 24 and name HN) 3 1 2
assign (residue 23 and name HG) (residue 24 and name HN) 3 1 1
!SER 24
assign (residue 24 and name HA) (residue 25 and name HN) 3 1 0.5
assign (residue 24 and name HB1) (residue 25 and name HN) 3 1 0.5
assign (residue 24 and name HB2) (residue 25 and name HN) 3 1 0.5
assign (residue 24 and name HN) (residue 25 and name HN) 3 1 0.5
assign (residue 24 and name HA) (residue 25 and name HG2#) 4 2 2
assign (residue 24 and name HB1) (residue 23 and name HD1#) 4 2 2
assign (residue 24 and name HB1) (residue 23 and name HD2#) 4 2 2
!THR 25
assign (residue 25 and name HA) (residue 24 and name HB2) 3 1 1
assign (residue 25 and name HA) (residue 26 and name HN) 3 1 0.5
assign (residue 25 and name HB) (residue 26 and name HN) 3 1 0.5
assign (residue 25 and name HG2#) (residue 26 and name HN) 4 2 2
assign (residue 25 and name HB) (residue 26 and name HE#) 4 2 2.5
assign (residue 25 and name HG2#) (residue 26 and name HD#) 4 2 3.5
assign (residue 25 and name HG2#) (residue 26 and name HE#) 4 2 3.5
!PHE 26 {F26 HN/I3 HN}
assign (residue 26 and name HN) (residue 25 and name HN) 3 1 0.5
assign (residue 26 and name HD#) (residue 25 and name HN) 4 2 3.1
assign (residue 26 and name HA) (residue 27 and name HN) 3 1 0.5
assign (residue 26 and name HN) (residue 27 and name HN) 3 1 0.5
assign (residue 26 and name HA) (residue 27 and name HB#) 4 2 2
assign (residue 26 and name HB1) (residue 27 and name HN) 4 2 1
assign (residue 26 and name HB2) (residue 27 and name HN) 4 2 1
assign (residue 26 and name HB1) (residue 27 and name HD#) 4 2 3.3
assign (residue 26 and name HB2) (residue 27 and name HD#) 4 2 3.3
!LEU 27 L27 HB#| L23 HB2
assign (residue 27 and name HB#) (residue 26 and name HN) 4 2 1.5
assign (residue 27 and name HA) (residue 26 and name HD#) 4 2 3.1
!turn 1:K16 2:D17 3:G18 4:E19
!noes to 17HN very weak due to exchange
assign (residue 17 and name HN) ( residue 17 and name HA ) 2.7 0.3 0.3
assign (residue 18 and name HN) ( residue 18 and name HA1 ) 2.2 0.3 0.5
assign (residue 18 and name HN) ( residue 18 and name HA2 ) 2.2 0.3 0.5
assign (residue 17 and name HN) ( residue 17 and name HB# ) 2.0 0.3 2.4
assign (residue 17 and name HA) ( residue 18 and name HN ) 2.2 0.3 0.8
assign (residue 18 and name HA1) ( residue 19 and name HN ) 3.2 0.3 0.4
assign (residue 18 and name HA2) ( residue 19 and name HN ) 3.2 0.3 0.4
assign (residue 17 and name HA) ( residue 19 and name HN ) 4 2 0.5
assign (residue 17 and name HN) ( residue 18 and name HN ) 4 2 0.5
assign (residue 18 and name HN) ( residue 19 and name HN ) 2.4 0.3 0.3
assign (residue 17 and name HN) ( residue 19 and name HN ) 4 2 2
assign (residue 17 and name HA) ( residue 18 and name HA#) 4.3 0.3 2
assign (residue 17 and name HB#) ( residue 18 and name HA1 ) 4.5 0 5
assign (residue 17 and name HB#) ( residue 18 and name HA2 ) 4.5 0 5
assign (residue 17 and name HB1) ( residue 18 and name HN ) 3.6 0.3 1
assign (residue 17 and name HB2) ( residue 18 and name HN ) 3.6 0.3 1
assign (residue 16 and name HA) ( residue 19 and name HN ) 4 0.3 0.7
assign (residue 16 and name HN) ( residue 19 and name HN ) 3 1 0.3
{d HN-HA (i,i) 2.8}
assign (residue 12 and name HN) (residue 12 and name HA) 2.8 0.5 0.5
assign (residue 13 and name HN) (residue 13 and name HA) 2.8 0.5 0.5
assign (residue 19 and name HN) (residue 19 and name HA) 2.8 0.5 0.5
assign (residue 20 and name HN) (residue 20 and name HA) 2.8 0.5 0.5
assign (residue 21 and name HN) (residue 21 and name HA) 2.8 0.5 0.5
assign (residue 22 and name HN) (residue 22 and name HA) 2.8 0.5 0.5
assign (residue 23 and name HN) (residue 23 and name HA) 2.8 0.5 0.5
{d HN HB (i,i) 2.6-3.8 these noes are set in intra.tbl}
assign (residue 12 and name HN) (residue 12 and name HB#) 2.6 0.3 2.2
assign (residue 14 and name HN) (residue 14 and name HB) 2.6 0.3 1.2
assign (residue 16 and name HN) (residue 16 and name HB#) 2.6 0.3 2.2
assign (residue 21 and name HN) (residue 21 and name HB) 2.6 0.3 1.2
{d HA-HN 2.2}
assign (residue 12 and name HA) (residue 13 and name HN) 2.2 0.3 0.5
assign (residue 13 and name HA) (residue 14 and name HN) 2.2 0.3 0.5
assign (residue 14 and name HA) (residue 15 and name HN) 2.2 0.3 0.5
assign (residue 15 and name HA) (residue 16 and name HN) 2.2 0.3 0.5
assign (residue 19 and name HA) (residue 20 and name HN) 2.2 0.3 0.5
assign (residue 20 and name HA) (residue 21 and name HN) 2.2 0.3 0.5
assign (residue 21 and name HA) (residue 22 and name HN) 2.2 0.3 0.5
assign (residue 22 and name HA) (residue 23 and name HN) 2.2 0.3 0.5
{d HN-HA 4.7}
assign (residue 15 and name HN) (residue 16 and name HA) 4.7 0.3 4.3
assign (residue 20 and name HN) (residue 21 and name HA) 4.7 0.3 4.5
assign (residue 22 and name HN) (residue 23 and name HA) 4.7 0.3 0.3
{d HN-HN 4.3}
assign (residue 12 and name HN) (residue 13 and name HN) 4.3 0.3 0.7
assign (residue 15 and name HN) (residue 16 and name HN) 4.3 0.3 0.7
assign (residue 19 and name HN) (residue 20 and name HN) 4.3 0.3 0.7
assign (residue 22 and name HN) (residue 23 and name HN) 4.3 0.3 0.7
{d HA-HA 4.3 in water}
{d HA-HB 4.0-5.6}
assign (residue 19 and name HA) (residue 20 and name HB2) 4 0.3 1
assign (residue 19 and name HA) (residue 20 and name HB1) 4.5 0.5 2
assign (residue 20 and name HA) (residue 21 and name HB) 4 0.3 1
{d HB-HA 4.2-5.7}
assign (residue 12 and name HB#) (residue 13 and name HA) 4.2 0.3 2.5
assign (residue 15 and name HB#) (residue 16 and name HA) 4.2 0.3 2.5
assign (residue 20 and name HB2) (residue 21 and name HA) 4.2 0.3 1
assign (residue 20 and name HB1) (residue 21 and name HA) 4.2 0.3 3
assign (residue 22 and name HB#) (residue 23 and name HA) 4.2 0.3 2.5
{d HB-HN 3.2-4.5}
assign (residue 12 and name HB#) (residue 13 and name HN) 3.2 0.3 2.3
assign (residue 13 and name HB1) (residue 14 and name HN) 3.2 0.3 1.6
assign (residue 13 and name HB2) (residue 14 and name HN) 3.2 0.3 1.6
assign (residue 14 and name HB) (residue 15 and name HN) 3.2 0.3 0.5
assign (residue 21 and name HB) (residue 22 and name HN) 3.2 0.3 0.5
assign (residue 22 and name HB#) (residue 23 and name HN) 3.2 0.3 2.3
{d HA-HN (i,j) 3.2}
assign (residue 13 and name HA) (residue 23 and name HN) 3.2 0.5 0.5
{d HN-HN (i,j) 3.3}
assign (residue 12 and name HN) (residue 23 and name HN) 3.3 0.5 0.5
assign (residue 16 and name HN) (residue 19 and name HN) 3.3 0.5 0.5
{d HA-HA (i,j) 2.3}
assign (residue 22 and name HA) (residue 13 and name HA) 2.3 0.5 0.5
{hydrogen bonds HN-O 2.95A}
assign (residue 19 and name N) (residue 16 and name O) 3.3 0.5 0.2
assign (residue 19 and name HN) (residue 16 and name O) 2.3 0.5 0.2
assign (residue 16 and name N) (residue 19 and name O) 3.3 0.5 0.2
assign (residue 16 and name HN) (residue 19 and name O) 2.3 0.5 0.2
assign (residue 14 and name N) (residue 21 and name O) 3.3 0.5 0.2
assign (residue 14 and name HN) (residue 21 and name O) 2.3 0.5 0.2
assign (residue 21 and name N) (residue 14 and name O) 3.3 0.5 0.2
assign (residue 21 and name HN) (residue 14 and name O) 2.3 0.5 0.2
assign (residue 23 and name N) (residue 12 and name O) 3.3 0.5 0.2
assign (residue 23 and name HN) (residue 12 and name O) 2.3 0.5 0.2
assign (residue 22 and name HA) (residue 12 and name HB#) 4 2 2
assign (residue 22 and name HD1#) (residue 12 and name HN) 4 2 2
assign (residue 22 and name HD2#) (residue 12 and name HN) 4 2 2
assign (residue 12 and name HB#) (residue 22 and name HD1#) 4 2 3
assign (residue 12 and name HB#) (residue 22 and name HD2#) 4 2 3
assign (residue 12 and name HB#) (residue 23 and name HN) 4 2 2
assign (residue 12 and name HB#) (residue 23 and name HD1#) 4 2 3
assign (residue 12 and name HB#) (residue 23 and name HD2#) 4 2 3
assign (residue 22 and name HA) (residue 13 and name HD#) 3 1 3
assign (residue 22 and name HA) (residue 13 and name HE#) 3 1 3
assign (residue 22 and name HB1) (residue 13 and name HD#) 3 1 3
assign (residue 22 and name HB1) (residue 13 and name HE#) 3 1 3
assign (residue 22 and name HB2) (residue 13 and name HD#) 3 1 3
assign (residue 22 and name HB2) (residue 13 and name HE#) 3 1 3
assign (residue 22 and name HG) (residue 13 and name HD#) 3 1 3
assign (residue 22 and name HG) (residue 13 and name HE#) 3 1 3
assign (residue 22 and name HD1#) (residue 13 and name HD#) 4 2 4
assign (residue 22 and name HD2#) (residue 13 and name HD#) 4 2 4
assign (residue 22 and name HD1#) (residue 13 and name HE#) 4 2 4
assign (residue 22 and name HD2#) (residue 13 and name HE#) 4 2 4
assign (residue 13 and name HD#) (residue 22 and name HN) 3 1 3
assign (residue 13 and name HE#) (residue 22 and name HN) 3 1 3
assign (residue 13 and name HA) (residue 22 and name HD#) 4 2 3.3
assign (residue 13 and name HB2) (residue 20 and name HE3) 3 1 2
assign (residue 13 and name HD#) (residue 20 and name HE3) 3 1 3
assign (residue 13 and name HB2) (residue 20 and name HZ3) 4 2 1
assign (residue 20 and name HA) (residue 13 and name HD#) 3 1 3
assign (residue 20 and name HB2) (residue 13 and name HD#) 3 1 3
assign (residue 20 and name HB2) (residue 13 and name HE#) 3 1 3
assign (residue 20 and name HB2) (residue 13 and name HB2) 4 2 1
assign (residue 21 and name HG1#) (residue 13 and name HD#) 4 2 3
assign (residue 21 and name HG2#) (residue 13 and name HD#) 3 2 3
assign (residue 21 and name HG1#) (residue 13 and name HE#) 4 2 3
assign (residue 21 and name HG2#) (residue 13 and name HE#) 4 2 3
assign (residue 21 and name HA) (residue 13 and name HD#) 3 1 3
assign (residue 21 and name HA) (residue 13 and name HE#) 3 1 3
assign (residue 14 and name HA) (residue 20 and name HE3) 4 2 1
assign (residue 14 and name HG#) (residue 13 and name HD#) 4 2 4.4
assign (residue 15 and name HN) (residue 20 and name HE3) 4 2 1
assign (residue 15 and name HA) (residue 20 and name HE3) 3 1 2
assign (residue 15 and name HN) (residue 20 and name HZ3) 3 1 2
assign (residue 16 and name HE#) (residue 14 and name HG1#) 4 2 3
assign (residue 16 and name HE#) (residue 14 and name HG2#) 4 2 3
assign (residue 14 and name HG2#) (residue 16 and name HN) 4 2 2
assign (residue 14 and name HG1#) (residue 16 and name HN) 4 2 2
assign (residue 21 and name HG1#) (residue 16 and name HB#) 4 2 3
assign (residue 21 and name HG2#) (residue 16 and name HB#) 4 2 3
assign (residue 16 and name HA) (residue 18 and name HN) 3 1 2
assign (residue 20 and name HA) (residue 16 and name HN) 3 1 2
assign (residue 16 and name HA) (residue 19 and name HG#) 4 2 2.5
assign (residue 21 and name HG2#) (residue 19 and name HN) 4 2 2
assign (residue 21 and name HG1#) (residue 19 and name HB2) 4 2 2
assign (residue 21 and name HG2#) (residue 19 and name HB2) 4 2 2
assign (residue 21 and name HB) (residue 14 and name HG#) 4 2 3.3
assign (residue 3 and name HD1#) (residue 16 and name HN) 4 2 2
assign (residue 3 and name HG2#) (residue 6 and name HN) 4 2 2.0
assign (residue 3 and name HG2#) (residue 20 and name HE1) 4 2 2
! PRO 4
assign (residue 4 and name HA) (residue 2 and name HD#) 4 2 3
assign (residue 4 and name HA) (residue 2 and name HE#) 3 1 3
assign (residue 4 and name HB#) (residue 2 and name HE#) 3 1 4.1
assign (residue 4 and name HD1) (residue 2 and name HD#) 4 2 3
assign (residue 4 and name HD2) (residue 2 and name HD#) 4 2 3
assign (residue 4 and name HG#) (residue 2 and name HD#) 4 2 4.1
assign (residue 4 and name HG#) (residue 2 and name HE#) 4 2 4.1
assign (residue 4 and name HG#) (residue 20 and name HD1) 4 2 2
assign (residue 4 and name HD1) (residue 20 and name HD1) 4 2 1
assign (residue 4 and name HD2) (residue 20 and name HD1) 4 2 1
assign (residue 4 and name HB#) (residue 20 and name HD1) 4 2 2
!ALA 6
assign (residue 6 and name HB#) (residue 13 and name HD#) 3 1 3
assign (residue 6 and name HB#) (residue 13 and name HE#) 4 2 3
assign (residue 6 and name HB#) (residue 13 and name HB2) 4 2 2
! PRO 7
assign (residue 7 and name HG1) (residue 13 and name HE#) 3 1 3
assign (residue 7 and name HG2) (residue 13 and name HE#) 3 1 3
assign (residue 7 and name HG1) (residue 13 and name HD#) 4 2 3
assign (residue 7 and name HG2) (residue 13 and name HD#) 4 2 3
assign (residue 7 and name HB#) (residue 13 and name HD#) 4 2 4
assign (residue 7 and name HB#) (residue 13 and name HE#) 4 2 4
assign (residue 7 and name HD1) (residue 13 and name HE#) 4 2 3
assign (residue 7 and name HD2) (residue 13 and name HE#) 4 2 3
assign (residue 7 and name HD#) (residue 13 and name HD#) 4 2 4
assign (residue 7 and name HD#) (residue 20 and name HD1) 4 2 2
assign (residue 7 and name HG#) (residue 20 and name HB1) 4 2 2
assign (residue 7 and name HD#) (residue 20 and name HB1) 4 2 2
!ARG 8 {|12 HN}
assign (residue 8 and name HA) (residue 11 and name HN) 4 2 1
! ASP 9
assign (residue 13 and name HE#) (residue 9 and name HN) 4 2 3
assign (residue 13 and name HD#) (residue 9 and name HN) 4 2 3
! GLN 11
assign (residue 9 and name HA) (residue 11 and name HN) 3 1 1
assign (residue 9 and name HN) (residue 11 and name HN) 4 2 1
assign (residue 13 and name HE#) (residue 11 and name HN) 4 2 3
assign (residue 11 and name HA) (residue 13 and name HE#) 4 2 3
assign (residue 11 and name HB1) (residue 13 and name HD#) 4 2 3
assign (residue 11 and name HB2) (residue 13 and name HD#) 4 2 3
assign (residue 11 and name HB1) (residue 13 and name HE#) 3 1 3
assign (residue 11 and name HB2) (residue 13 and name HE#) 3 1 3
assign (residue 11 and name HA) (residue 22 and name HD1#) 4 2 3
assign (residue 11 and name HA) (residue 22 and name HD2#) 4 2 3
assign (residue 11 and name HG1) (residue 22 and name HD2#) 4 2 2
assign (residue 11 and name HG2) (residue 22 and name HD2#) 4 2 2
assign (residue 11 and name HB1) (residue 22 and name HD1#) 3 1 2
assign (residue 11 and name HB2) (residue 22 and name HD1#) 3 1 2
assign (residue 11 and name HB1) (residue 22 and name HD2#) 3 1 2
assign (residue 11 and name HB2) (residue 22 and name HD2#) 3 1 2
assign (residue 14 and name HG#) (residue 26 and name HD#) 4 2 4.4
assign (residue 14 and name HG#) (residue 26 and name HE#) 4 2 4.4
assign (residue 14 and name HB) (residue 26 and name HE#) 4 2 3
!assign (residue 16 and name HE#) (residue 26 and name HE#) 4 2 3
assign (residue 21 and name HG1#) (residue 26 and name HD#) 4 2 4
assign (residue 21 and name HG1#) (residue 26 and name HE#) 3 1 3
assign (residue 22 and name HD1#) (residue 24 and name HN) 4 2 3
assign (residue 23 and name HA) (residue 26 and name HE#) 4 2 3
assign (residue 23 and name HA) (residue 26 and name HD#) 3 1 3
assign (residue 23 and name HB1) (residue 26 and name HE#) 3 1 3
assign (residue 23 and name HB2) (residue 26 and name HE#) 3 1 3
assign (residue 23 and name HB1) (residue 26 and name HD#) 3 1 3
assign (residue 23 and name HB2) (residue 26 and name HD#) 3 1 3
assign (residue 23 and name HD#) (residue 26 and name HE#) 3 1 4.4
assign (residue 23 and name HD#) (residue 26 and name HD#) 3 1 4.4
assign (residue 23 and name HG) (residue 26 and name HD#) 3 1 3
assign (residue 23 and name HD#) (residue 26 and name HB1) 3 1 4.4
assign (residue 23 and name HD#) (residue 26 and name HB2) 3 1 4.4
assign (residue 23 and name HA) (residue 26 and name HB1) 4 2 2
!THR 25
! {P4|P7|R5|T25 HA}
assign (residue 25 and name HB) (residue 22 and name HB#) 4 2 2
assign (residue 25 and name HG2#) (residue 22 and name HD1#) 4 2 2
assign (residue 25 and name HG2#) (residue 22 and name HD2#) 4 2 2
assign (residue 25 and name HN) (residue 23 and name HD#) 4 2 4.3
assign (residue 25 and name HA) (residue 23 and name HD#) 4 2 4.3
assign (residue 25 and name HG2#) (residue 26 and name HD#) 4 1 4.3
assign (residue 25 and name HG2#) (residue 26 and name HE#) 4 1 4.3
assign (residue 25 and name HB) (residue 26 and name HE#) 4 1 3.3
assign (residue 25 and name HA) (residue 27 and name HN) 4 2 1
!PHE 26 {F26 HN/I3 HN}
assign (residue 24 and name HA) (residue 26 and name HN) 4 2 1
assign (residue 27 and name HA) (residue 27 and name HD#) 3 1 3.3
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