NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
11970 |
1saf   |
cing | 1-original | 11 | XPLOR/CNS | chemical shift |
!remark Ca and Cb shifts
!! q4
assign (resid 3 and name c and segid a ) (resid 4 and name n and segid a )
(resid 4 and name ca and segid a) (resid 4 and name c and segid a )
(resid 5 and name n and segid a ) 63.24 32.20
!! i5
assign (resid 4 and name c and segid a ) (resid 5 and name n and segid a )
(resid 5 and name ca and segid a) (resid 5 and name c and segid a )
(resid 6 and name n and segid a ) 55.24 42.30
!! e
assign (resid 5 and name c and segid a ) (resid 6 and name n and segid a )
(resid 6 and name ca and segid a) (resid 6 and name c and segid a )
(resid 7 and name n and segid a ) 54.53 41.78
!! s7
assign (resid 6 and name c and segid a ) (resid 7 and name n and segid a )
(resid 7 and name ca and segid a) (resid 7 and name c and segid a )
(resid 8 and name n and segid a ) 45.32 0.0
!! k8
assign (resid 7 and name c and segid a ) (resid 8 and name n and segid a )
(resid 8 and name ca and segid a) (resid 8 and name c and segid a )
(resid 9 and name n and segid a ) 56.23 31.10
!! t9
assign (resid 8 and name c and segid a ) (resid 9 and name n and segid a )
(resid 9 and name ca and segid a) (resid 9 and name c and segid a )
(resid 10 and name n and segid a ) 57.34 41.10
!! a10
assign (resid 9 and name c and segid a ) (resid 10 and name n and segid a )
(resid 10 and name ca and segid a) (resid 10 and name c and segid a )
(resid 11 and name n and segid a ) 56.83 43.59
!! f11
assign (resid 10 and name c and segid a ) (resid 11 and name n and segid a )
(resid 11 and name ca and segid a) (resid 11 and name c and segid a )
(resid 12 and name n and segid a ) 61.40 70.82
!! q12
assign (resid 11 and name c and segid a ) (resid 12 and name n and segid a )
(resid 12 and name ca and segid a) (resid 12 and name c and segid a )
(resid 13 and name n and segid a ) 53.48 47.38
!! e13
assign (resid 12 and name c and segid a ) (resid 13 and name n and segid a )
(resid 13 and name ca and segid a) (resid 13 and name c and segid a )
(resid 14 and name n and segid a ) 55.36 30.05
!! a14
assign (resid 13 and name c and segid a ) (resid 14 and name n and segid a )
(resid 14 and name ca and segid a) (resid 14 and name c and segid a )
(resid 15 and name n and segid a ) 59.93 41.97
!! l15
assign (resid 14 and name c and segid a ) (resid 15 and name n and segid a )
(resid 15 and name ca and segid a) (resid 15 and name c and segid a )
(resid 16 and name n and segid a ) 56.24 31.30
!! d16
assign (resid 15 and name c and segid a ) (resid 16 and name n and segid a )
(resid 16 and name ca and segid a) (resid 16 and name c and segid a )
(resid 17 and name n and segid a ) 44.54 0.00
!! a17
assign (resid 16 and name c and segid a ) (resid 17 and name n and segid a )
(resid 17 and name ca and segid a) (resid 17 and name c and segid a )
(resid 18 and name n and segid a ) 59.53 29.91
!! a18
assign (resid 17 and name c and segid a ) (resid 18 and name n and segid a )
(resid 18 and name ca and segid a) (resid 18 and name c and segid a )
(resid 19 and name n and segid a ) 60.40 28.47
!! g19
assign (resid 18 and name c and segid a ) (resid 19 and name n and segid a )
(resid 19 and name ca and segid a) (resid 19 and name c and segid a )
(resid 20 and name n and segid a ) 59.49 30.11
!! d20
assign (resid 19 and name c and segid a ) (resid 20 and name n and segid a )
(resid 20 and name ca and segid a) (resid 20 and name c and segid a )
(resid 21 and name n and segid a ) 61.86 38.82
!! k21
assign (resid 20 and name c and segid a ) (resid 21 and name n and segid a )
(resid 21 and name ca and segid a) (resid 21 and name c and segid a )
(resid 22 and name n and segid a ) 59.32 28.82
!! l22
assign (resid 21 and name c and segid a ) (resid 22 and name n and segid a )
(resid 22 and name ca and segid a) (resid 22 and name c and segid a )
(resid 23 and name n and segid a ) 59.11 32.18
!! v23
assign (resid 22 and name c and segid a ) (resid 23 and name n and segid a )
(resid 23 and name ca and segid a) (resid 23 and name c and segid a )
(resid 24 and name n and segid a ) 61.68 38.88
!! v24
assign (resid 23 and name c and segid a ) (resid 24 and name n and segid a )
(resid 24 and name ca and segid a) (resid 24 and name c and segid a )
(resid 25 and name n and segid a ) 59.96 29.37
!! v25
assign (resid 24 and name c and segid a ) (resid 25 and name n and segid a )
(resid 25 and name ca and segid a) (resid 25 and name c and segid a )
(resid 26 and name n and segid a ) 59.79 29.24
!! d26
assign (resid 25 and name c and segid a ) (resid 26 and name n and segid a )
(resid 26 and name ca and segid a) (resid 26 and name c and segid a )
(resid 27 and name n and segid a ) 58.40 42.66
!! f27
assign (resid 26 and name c and segid a ) (resid 27 and name n and segid a )
(resid 27 and name ca and segid a) (resid 27 and name c and segid a )
(resid 28 and name n and segid a ) 57.79 39.99
!! s28
assign (resid 27 and name c and segid a ) (resid 28 and name n and segid a )
(resid 28 and name ca and segid a) (resid 28 and name c and segid a )
(resid 29 and name n and segid a ) 59.60 29.82
!! a29
assign (resid 28 and name c and segid a ) (resid 29 and name n and segid a )
(resid 29 and name ca and segid a) (resid 29 and name c and segid a )
(resid 30 and name n and segid a ) 55.56 17.51
!! t30
assign (resid 29 and name c and segid a ) (resid 30 and name n and segid a )
(resid 30 and name ca and segid a) (resid 30 and name c and segid a )
(resid 31 and name n and segid a ) 58.34 40.75
!! w31
assign (resid 30 and name c and segid a ) (resid 31 and name n and segid a )
(resid 31 and name ca and segid a) (resid 31 and name c and segid a )
(resid 32 and name n and segid a ) 59.81 28.96
!! c32
assign (resid 31 and name c and segid a ) (resid 32 and name n and segid a )
(resid 32 and name ca and segid a) (resid 32 and name c and segid a )
(resid 33 and name n and segid a ) 58.03 41.62
!! g33
assign (resid 32 and name c and segid a ) (resid 33 and name n and segid a )
(resid 33 and name ca and segid a) (resid 33 and name c and segid a )
(resid 34 and name n and segid a ) 59.90 31.84
!! p34
assign (resid 33 and name c and segid a ) (resid 34 and name n and segid a )
(resid 34 and name ca and segid a) (resid 34 and name c and segid a )
(resid 35 and name n and segid a ) 57.13 40.63
!! a35
assign (resid 34 and name c and segid a ) (resid 35 and name n and segid a )
(resid 35 and name ca and segid a) (resid 35 and name c and segid a )
(resid 36 and name n and segid a ) 53.94 18.58
!! k36
assign (resid 35 and name c and segid a ) (resid 36 and name n and segid a )
(resid 36 and name ca and segid a) (resid 36 and name c and segid a )
(resid 37 and name n and segid a ) 56.67 28.94
!! m37
assign (resid 36 and name c and segid a ) (resid 37 and name n and segid a )
(resid 37 and name ca and segid a) (resid 37 and name c and segid a )
(resid 38 and name n and segid a ) 53.35 19.10
!! i38
assign (resid 37 and name c and segid a ) (resid 38 and name n and segid a )
(resid 38 and name ca and segid a) (resid 38 and name c and segid a )
(resid 39 and name n and segid a ) 45.60 0.00
!! k39
assign (resid 38 and name c and segid a ) (resid 39 and name n and segid a )
(resid 39 and name ca and segid a) (resid 39 and name c and segid a )
(resid 40 and name n and segid a ) 56.16 33.32
!! p40
assign (resid 39 and name c and segid a ) (resid 40 and name n and segid a )
(resid 40 and name ca and segid a) (resid 40 and name c and segid a )
(resid 41 and name n and segid a ) 54.70 29.71
!! f41
assign (resid 40 and name c and segid a ) (resid 41 and name n and segid a )
(resid 41 and name ca and segid a) (resid 41 and name c and segid a )
(resid 42 and name n and segid a ) 63.62 32.23
!remark Ca and Cb shifts
!! q4
assign (resid 3 and name c and segid c ) (resid 4 and name n and segid c )
(resid 4 and name ca and segid c) (resid 4 and name c and segid c )
(resid 5 and name n and segid c ) 63.24 32.20
!! i5
assign (resid 4 and name c and segid c ) (resid 5 and name n and segid c )
(resid 5 and name ca and segid c) (resid 5 and name c and segid c )
(resid 6 and name n and segid c ) 55.24 42.30
!! e
assign (resid 5 and name c and segid c ) (resid 6 and name n and segid c )
(resid 6 and name ca and segid c) (resid 6 and name c and segid c )
(resid 7 and name n and segid c ) 54.53 41.78
!! s7
assign (resid 6 and name c and segid c ) (resid 7 and name n and segid c )
(resid 7 and name ca and segid c) (resid 7 and name c and segid c )
(resid 8 and name n and segid c ) 45.32 0.0
!! k8
assign (resid 7 and name c and segid c ) (resid 8 and name n and segid c )
(resid 8 and name ca and segid c) (resid 8 and name c and segid c )
(resid 9 and name n and segid c ) 56.23 31.10
!! t9
assign (resid 8 and name c and segid c ) (resid 9 and name n and segid c )
(resid 9 and name ca and segid c) (resid 9 and name c and segid c )
(resid 10 and name n and segid c ) 57.34 41.10
!! a10
assign (resid 9 and name c and segid c ) (resid 10 and name n and segid c )
(resid 10 and name ca and segid c) (resid 10 and name c and segid c )
(resid 11 and name n and segid c ) 56.83 43.59
!! f11
assign (resid 10 and name c and segid c ) (resid 11 and name n and segid c )
(resid 11 and name ca and segid c) (resid 11 and name c and segid c )
(resid 12 and name n and segid c ) 61.40 70.82
!! q12
assign (resid 11 and name c and segid c ) (resid 12 and name n and segid c )
(resid 12 and name ca and segid c) (resid 12 and name c and segid c )
(resid 13 and name n and segid c ) 53.48 47.38
!! e13
assign (resid 12 and name c and segid c ) (resid 13 and name n and segid c )
(resid 13 and name ca and segid c) (resid 13 and name c and segid c )
(resid 14 and name n and segid c ) 55.36 30.05
!! a14
assign (resid 13 and name c and segid c ) (resid 14 and name n and segid c )
(resid 14 and name ca and segid c) (resid 14 and name c and segid c )
(resid 15 and name n and segid c ) 59.93 41.97
!! l15
assign (resid 14 and name c and segid c ) (resid 15 and name n and segid c )
(resid 15 and name ca and segid c) (resid 15 and name c and segid c )
(resid 16 and name n and segid c ) 56.24 31.30
!! d16
assign (resid 15 and name c and segid c ) (resid 16 and name n and segid c )
(resid 16 and name ca and segid c) (resid 16 and name c and segid c )
(resid 17 and name n and segid c ) 44.54 0.00
!! a17
assign (resid 16 and name c and segid c ) (resid 17 and name n and segid c )
(resid 17 and name ca and segid c) (resid 17 and name c and segid c )
(resid 18 and name n and segid c ) 59.53 29.91
!! a18
assign (resid 17 and name c and segid c ) (resid 18 and name n and segid c )
(resid 18 and name ca and segid c) (resid 18 and name c and segid c )
(resid 19 and name n and segid c ) 60.40 28.47
!! g19
assign (resid 18 and name c and segid c ) (resid 19 and name n and segid c )
(resid 19 and name ca and segid c) (resid 19 and name c and segid c )
(resid 20 and name n and segid c ) 59.49 30.11
!! d20
assign (resid 19 and name c and segid c ) (resid 20 and name n and segid c )
(resid 20 and name ca and segid c) (resid 20 and name c and segid c )
(resid 21 and name n and segid c ) 61.86 38.82
!! k21
assign (resid 20 and name c and segid c ) (resid 21 and name n and segid c )
(resid 21 and name ca and segid c) (resid 21 and name c and segid c )
(resid 22 and name n and segid c ) 59.32 28.82
!! l22
assign (resid 21 and name c and segid c ) (resid 22 and name n and segid c )
(resid 22 and name ca and segid c) (resid 22 and name c and segid c )
(resid 23 and name n and segid c ) 59.11 32.18
!! v23
assign (resid 22 and name c and segid c ) (resid 23 and name n and segid c )
(resid 23 and name ca and segid c) (resid 23 and name c and segid c )
(resid 24 and name n and segid c ) 61.68 38.88
!! v24
assign (resid 23 and name c and segid c ) (resid 24 and name n and segid c )
(resid 24 and name ca and segid c) (resid 24 and name c and segid c )
(resid 25 and name n and segid c ) 59.96 29.37
!! v25
assign (resid 24 and name c and segid c ) (resid 25 and name n and segid c )
(resid 25 and name ca and segid c) (resid 25 and name c and segid c )
(resid 26 and name n and segid c ) 59.79 29.24
!! d26
assign (resid 25 and name c and segid c ) (resid 26 and name n and segid c )
(resid 26 and name ca and segid c) (resid 26 and name c and segid c )
(resid 27 and name n and segid c ) 58.40 42.66
!! f27
assign (resid 26 and name c and segid c ) (resid 27 and name n and segid c )
(resid 27 and name ca and segid c) (resid 27 and name c and segid c )
(resid 28 and name n and segid c ) 57.79 39.99
!! s28
assign (resid 27 and name c and segid c ) (resid 28 and name n and segid c )
(resid 28 and name ca and segid c) (resid 28 and name c and segid c )
(resid 29 and name n and segid c ) 59.60 29.82
!! a29
assign (resid 28 and name c and segid c ) (resid 29 and name n and segid c )
(resid 29 and name ca and segid c) (resid 29 and name c and segid c )
(resid 30 and name n and segid c ) 55.56 17.51
!! t30
assign (resid 29 and name c and segid c ) (resid 30 and name n and segid c )
(resid 30 and name ca and segid c) (resid 30 and name c and segid c )
(resid 31 and name n and segid c ) 58.34 40.75
!! w31
assign (resid 30 and name c and segid c ) (resid 31 and name n and segid c )
(resid 31 and name ca and segid c) (resid 31 and name c and segid c )
(resid 32 and name n and segid c ) 59.81 28.96
!! c32
assign (resid 31 and name c and segid c ) (resid 32 and name n and segid c )
(resid 32 and name ca and segid c) (resid 32 and name c and segid c )
(resid 33 and name n and segid c ) 58.03 41.62
!! g33
assign (resid 32 and name c and segid c ) (resid 33 and name n and segid c )
(resid 33 and name ca and segid c) (resid 33 and name c and segid c )
(resid 34 and name n and segid c ) 59.90 31.84
!! p34
assign (resid 33 and name c and segid c ) (resid 34 and name n and segid c )
(resid 34 and name ca and segid c) (resid 34 and name c and segid c )
(resid 35 and name n and segid c ) 57.13 40.63
!! a35
assign (resid 34 and name c and segid c ) (resid 35 and name n and segid c )
(resid 35 and name ca and segid c) (resid 35 and name c and segid c )
(resid 36 and name n and segid c ) 53.94 18.58
!! k36
assign (resid 35 and name c and segid c ) (resid 36 and name n and segid c )
(resid 36 and name ca and segid c) (resid 36 and name c and segid c )
(resid 37 and name n and segid c ) 56.67 28.94
!! m37
assign (resid 36 and name c and segid c ) (resid 37 and name n and segid c )
(resid 37 and name ca and segid c) (resid 37 and name c and segid c )
(resid 38 and name n and segid c ) 53.35 19.10
!! i38
assign (resid 37 and name c and segid c ) (resid 38 and name n and segid c )
(resid 38 and name ca and segid c) (resid 38 and name c and segid c )
(resid 39 and name n and segid c ) 45.60 0.00
!! k39
assign (resid 38 and name c and segid c ) (resid 39 and name n and segid c )
(resid 39 and name ca and segid c) (resid 39 and name c and segid c )
(resid 40 and name n and segid c ) 56.16 33.32
!! p40
assign (resid 39 and name c and segid c ) (resid 40 and name n and segid c )
(resid 40 and name ca and segid c) (resid 40 and name c and segid c )
(resid 41 and name n and segid c ) 54.70 29.71
!! f41
assign (resid 40 and name c and segid c ) (resid 41 and name n and segid c )
(resid 41 and name ca and segid c) (resid 41 and name c and segid c )
(resid 42 and name n and segid c ) 63.62 32.23
!remark Ca and Cb shifts
!! q4
assign (resid 3 and name c and segid b ) (resid 4 and name n and segid b )
(resid 4 and name ca and segid b) (resid 4 and name c and segid b )
(resid 5 and name n and segid b ) 63.24 32.20
!! i5
assign (resid 4 and name c and segid b ) (resid 5 and name n and segid b )
(resid 5 and name ca and segid b) (resid 5 and name c and segid b )
(resid 6 and name n and segid b ) 55.24 42.30
!! e
assign (resid 5 and name c and segid b ) (resid 6 and name n and segid b )
(resid 6 and name ca and segid b) (resid 6 and name c and segid b )
(resid 7 and name n and segid b ) 54.53 41.78
!! s7
assign (resid 6 and name c and segid b ) (resid 7 and name n and segid b )
(resid 7 and name ca and segid b) (resid 7 and name c and segid b )
(resid 8 and name n and segid b ) 45.32 0.0
!! k8
assign (resid 7 and name c and segid b ) (resid 8 and name n and segid b )
(resid 8 and name ca and segid b) (resid 8 and name c and segid b )
(resid 9 and name n and segid b ) 56.23 31.10
!! t9
assign (resid 8 and name c and segid b ) (resid 9 and name n and segid b )
(resid 9 and name ca and segid b) (resid 9 and name c and segid b )
(resid 10 and name n and segid b ) 57.34 41.10
!! a10
assign (resid 9 and name c and segid b ) (resid 10 and name n and segid b )
(resid 10 and name ca and segid b) (resid 10 and name c and segid b )
(resid 11 and name n and segid b ) 56.83 43.59
!! f11
assign (resid 10 and name c and segid b ) (resid 11 and name n and segid b )
(resid 11 and name ca and segid b) (resid 11 and name c and segid b )
(resid 12 and name n and segid b ) 61.40 70.82
!! q12
assign (resid 11 and name c and segid b ) (resid 12 and name n and segid b )
(resid 12 and name ca and segid b) (resid 12 and name c and segid b )
(resid 13 and name n and segid b ) 53.48 47.38
!! e13
assign (resid 12 and name c and segid b ) (resid 13 and name n and segid b )
(resid 13 and name ca and segid b) (resid 13 and name c and segid b )
(resid 14 and name n and segid b ) 55.36 30.05
!! a14
assign (resid 13 and name c and segid b ) (resid 14 and name n and segid b )
(resid 14 and name ca and segid b) (resid 14 and name c and segid b )
(resid 15 and name n and segid b ) 59.93 41.97
!! l15
assign (resid 14 and name c and segid b ) (resid 15 and name n and segid b )
(resid 15 and name ca and segid b) (resid 15 and name c and segid b )
(resid 16 and name n and segid b ) 56.24 31.30
!! d16
assign (resid 15 and name c and segid b ) (resid 16 and name n and segid b )
(resid 16 and name ca and segid b) (resid 16 and name c and segid b )
(resid 17 and name n and segid b ) 44.54 0.00
!! a17
assign (resid 16 and name c and segid b ) (resid 17 and name n and segid b )
(resid 17 and name ca and segid b) (resid 17 and name c and segid b )
(resid 18 and name n and segid b ) 59.53 29.91
!! a18
assign (resid 17 and name c and segid b ) (resid 18 and name n and segid b )
(resid 18 and name ca and segid b) (resid 18 and name c and segid b )
(resid 19 and name n and segid b ) 60.40 28.47
!! g19
assign (resid 18 and name c and segid b ) (resid 19 and name n and segid b )
(resid 19 and name ca and segid b) (resid 19 and name c and segid b )
(resid 20 and name n and segid b ) 59.49 30.11
!! d20
assign (resid 19 and name c and segid b ) (resid 20 and name n and segid b )
(resid 20 and name ca and segid b) (resid 20 and name c and segid b )
(resid 21 and name n and segid b ) 61.86 38.82
!! k21
assign (resid 20 and name c and segid b ) (resid 21 and name n and segid b )
(resid 21 and name ca and segid b) (resid 21 and name c and segid b )
(resid 22 and name n and segid b ) 59.32 28.82
!! l22
assign (resid 21 and name c and segid b ) (resid 22 and name n and segid b )
(resid 22 and name ca and segid b) (resid 22 and name c and segid b )
(resid 23 and name n and segid b ) 59.11 32.18
!! v23
assign (resid 22 and name c and segid b ) (resid 23 and name n and segid b )
(resid 23 and name ca and segid b) (resid 23 and name c and segid b )
(resid 24 and name n and segid b ) 61.68 38.88
!! v24
assign (resid 23 and name c and segid b ) (resid 24 and name n and segid b )
(resid 24 and name ca and segid b) (resid 24 and name c and segid b )
(resid 25 and name n and segid b ) 59.96 29.37
!! v25
assign (resid 24 and name c and segid b ) (resid 25 and name n and segid b )
(resid 25 and name ca and segid b) (resid 25 and name c and segid b )
(resid 26 and name n and segid b ) 59.79 29.24
!! d26
assign (resid 25 and name c and segid b ) (resid 26 and name n and segid b )
(resid 26 and name ca and segid b) (resid 26 and name c and segid b )
(resid 27 and name n and segid b ) 58.40 42.66
!! f27
assign (resid 26 and name c and segid b ) (resid 27 and name n and segid b )
(resid 27 and name ca and segid b) (resid 27 and name c and segid b )
(resid 28 and name n and segid b ) 57.79 39.99
!! s28
assign (resid 27 and name c and segid b ) (resid 28 and name n and segid b )
(resid 28 and name ca and segid b) (resid 28 and name c and segid b )
(resid 29 and name n and segid b ) 59.60 29.82
!! a29
assign (resid 28 and name c and segid b ) (resid 29 and name n and segid b )
(resid 29 and name ca and segid b) (resid 29 and name c and segid b )
(resid 30 and name n and segid b ) 55.56 17.51
!! t30
assign (resid 29 and name c and segid b ) (resid 30 and name n and segid b )
(resid 30 and name ca and segid b) (resid 30 and name c and segid b )
(resid 31 and name n and segid b ) 58.34 40.75
!! w31
assign (resid 30 and name c and segid b ) (resid 31 and name n and segid b )
(resid 31 and name ca and segid b) (resid 31 and name c and segid b )
(resid 32 and name n and segid b ) 59.81 28.96
!! c32
assign (resid 31 and name c and segid b ) (resid 32 and name n and segid b )
(resid 32 and name ca and segid b) (resid 32 and name c and segid b )
(resid 33 and name n and segid b ) 58.03 41.62
!! g33
assign (resid 32 and name c and segid b ) (resid 33 and name n and segid b )
(resid 33 and name ca and segid b) (resid 33 and name c and segid b )
(resid 34 and name n and segid b ) 59.90 31.84
!! p34
assign (resid 33 and name c and segid b ) (resid 34 and name n and segid b )
(resid 34 and name ca and segid b) (resid 34 and name c and segid b )
(resid 35 and name n and segid b ) 57.13 40.63
!! a35
assign (resid 34 and name c and segid b ) (resid 35 and name n and segid b )
(resid 35 and name ca and segid b) (resid 35 and name c and segid b )
(resid 36 and name n and segid b ) 53.94 18.58
!! k36
assign (resid 35 and name c and segid b ) (resid 36 and name n and segid b )
(resid 36 and name ca and segid b) (resid 36 and name c and segid b )
(resid 37 and name n and segid b ) 56.67 28.94
!! m37
assign (resid 36 and name c and segid b ) (resid 37 and name n and segid b )
(resid 37 and name ca and segid b) (resid 37 and name c and segid b )
(resid 38 and name n and segid b ) 53.35 19.10
!! i38
assign (resid 37 and name c and segid b ) (resid 38 and name n and segid b )
(resid 38 and name ca and segid b) (resid 38 and name c and segid b )
(resid 39 and name n and segid b ) 45.60 0.00
!! k39
assign (resid 38 and name c and segid b ) (resid 39 and name n and segid b )
(resid 39 and name ca and segid b) (resid 39 and name c and segid b )
(resid 40 and name n and segid b ) 56.16 33.32
!! p40
assign (resid 39 and name c and segid b ) (resid 40 and name n and segid b )
(resid 40 and name ca and segid b) (resid 40 and name c and segid b )
(resid 41 and name n and segid b ) 54.70 29.71
!! f41
assign (resid 40 and name c and segid b ) (resid 41 and name n and segid b )
(resid 41 and name ca and segid b) (resid 41 and name c and segid b )
(resid 42 and name n and segid b ) 63.62 32.23
!remark Ca and Cb shifts
!! q4
assign (resid 3 and name c and segid d ) (resid 4 and name n and segid d )
(resid 4 and name ca and segid d) (resid 4 and name c and segid d )
(resid 5 and name n and segid d ) 63.24 32.20
!! i5
assign (resid 4 and name c and segid d ) (resid 5 and name n and segid d )
(resid 5 and name ca and segid d) (resid 5 and name c and segid d )
(resid 6 and name n and segid d ) 55.24 42.30
!! e
assign (resid 5 and name c and segid d ) (resid 6 and name n and segid d )
(resid 6 and name ca and segid d) (resid 6 and name c and segid d )
(resid 7 and name n and segid d ) 54.53 41.78
!! s7
assign (resid 6 and name c and segid d ) (resid 7 and name n and segid d )
(resid 7 and name ca and segid d) (resid 7 and name c and segid d )
(resid 8 and name n and segid d ) 45.32 0.0
!! k8
assign (resid 7 and name c and segid d ) (resid 8 and name n and segid d )
(resid 8 and name ca and segid d) (resid 8 and name c and segid d )
(resid 9 and name n and segid d ) 56.23 31.10
!! t9
assign (resid 8 and name c and segid d ) (resid 9 and name n and segid d )
(resid 9 and name ca and segid d) (resid 9 and name c and segid d )
(resid 10 and name n and segid d ) 57.34 41.10
!! a10
assign (resid 9 and name c and segid d ) (resid 10 and name n and segid d )
(resid 10 and name ca and segid d) (resid 10 and name c and segid d )
(resid 11 and name n and segid d ) 56.83 43.59
!! f11
assign (resid 10 and name c and segid d ) (resid 11 and name n and segid d )
(resid 11 and name ca and segid d) (resid 11 and name c and segid d )
(resid 12 and name n and segid d ) 61.40 70.82
!! q12
assign (resid 11 and name c and segid d ) (resid 12 and name n and segid d )
(resid 12 and name ca and segid d) (resid 12 and name c and segid d )
(resid 13 and name n and segid d ) 53.48 47.38
!! e13
assign (resid 12 and name c and segid d ) (resid 13 and name n and segid d )
(resid 13 and name ca and segid d) (resid 13 and name c and segid d )
(resid 14 and name n and segid d ) 55.36 30.05
!! a14
assign (resid 13 and name c and segid d ) (resid 14 and name n and segid d )
(resid 14 and name ca and segid d) (resid 14 and name c and segid d )
(resid 15 and name n and segid d ) 59.93 41.97
!! l15
assign (resid 14 and name c and segid d ) (resid 15 and name n and segid d )
(resid 15 and name ca and segid d) (resid 15 and name c and segid d )
(resid 16 and name n and segid d ) 56.24 31.30
!! d16
assign (resid 15 and name c and segid d ) (resid 16 and name n and segid d )
(resid 16 and name ca and segid d) (resid 16 and name c and segid d )
(resid 17 and name n and segid d ) 44.54 0.00
!! a17
assign (resid 16 and name c and segid d ) (resid 17 and name n and segid d )
(resid 17 and name ca and segid d) (resid 17 and name c and segid d )
(resid 18 and name n and segid d ) 59.53 29.91
!! a18
assign (resid 17 and name c and segid d ) (resid 18 and name n and segid d )
(resid 18 and name ca and segid d) (resid 18 and name c and segid d )
(resid 19 and name n and segid d ) 60.40 28.47
!! g19
assign (resid 18 and name c and segid d ) (resid 19 and name n and segid d )
(resid 19 and name ca and segid d) (resid 19 and name c and segid d )
(resid 20 and name n and segid d ) 59.49 30.11
!! d20
assign (resid 19 and name c and segid d ) (resid 20 and name n and segid d )
(resid 20 and name ca and segid d) (resid 20 and name c and segid d )
(resid 21 and name n and segid d ) 61.86 38.82
!! k21
assign (resid 20 and name c and segid d ) (resid 21 and name n and segid d )
(resid 21 and name ca and segid d) (resid 21 and name c and segid d )
(resid 22 and name n and segid d ) 59.32 28.82
!! l22
assign (resid 21 and name c and segid d ) (resid 22 and name n and segid d )
(resid 22 and name ca and segid d) (resid 22 and name c and segid d )
(resid 23 and name n and segid d ) 59.11 32.18
!! v23
assign (resid 22 and name c and segid d ) (resid 23 and name n and segid d )
(resid 23 and name ca and segid d) (resid 23 and name c and segid d )
(resid 24 and name n and segid d ) 61.68 38.88
!! v24
assign (resid 23 and name c and segid d ) (resid 24 and name n and segid d )
(resid 24 and name ca and segid d) (resid 24 and name c and segid d )
(resid 25 and name n and segid d ) 59.96 29.37
!! v25
assign (resid 24 and name c and segid d ) (resid 25 and name n and segid d )
(resid 25 and name ca and segid d) (resid 25 and name c and segid d )
(resid 26 and name n and segid d ) 59.79 29.24
!! d26
assign (resid 25 and name c and segid d ) (resid 26 and name n and segid d )
(resid 26 and name ca and segid d) (resid 26 and name c and segid d )
(resid 27 and name n and segid d ) 58.40 42.66
!! f27
assign (resid 26 and name c and segid d ) (resid 27 and name n and segid d )
(resid 27 and name ca and segid d) (resid 27 and name c and segid d )
(resid 28 and name n and segid d ) 57.79 39.99
!! s28
assign (resid 27 and name c and segid d ) (resid 28 and name n and segid d )
(resid 28 and name ca and segid d) (resid 28 and name c and segid d )
(resid 29 and name n and segid d ) 59.60 29.82
!! a29
assign (resid 28 and name c and segid d ) (resid 29 and name n and segid d )
(resid 29 and name ca and segid d) (resid 29 and name c and segid d )
(resid 30 and name n and segid d ) 55.56 17.51
!! t30
assign (resid 29 and name c and segid d ) (resid 30 and name n and segid d )
(resid 30 and name ca and segid d) (resid 30 and name c and segid d )
(resid 31 and name n and segid d ) 58.34 40.75
!! w31
assign (resid 30 and name c and segid d ) (resid 31 and name n and segid d )
(resid 31 and name ca and segid d) (resid 31 and name c and segid d )
(resid 32 and name n and segid d ) 59.81 28.96
!! c32
assign (resid 31 and name c and segid d ) (resid 32 and name n and segid d )
(resid 32 and name ca and segid d) (resid 32 and name c and segid d )
(resid 33 and name n and segid d ) 58.03 41.62
!! g33
assign (resid 32 and name c and segid d ) (resid 33 and name n and segid d )
(resid 33 and name ca and segid d) (resid 33 and name c and segid d )
(resid 34 and name n and segid d ) 59.90 31.84
!! p34
assign (resid 33 and name c and segid d ) (resid 34 and name n and segid d )
(resid 34 and name ca and segid d) (resid 34 and name c and segid d )
(resid 35 and name n and segid d ) 57.13 40.63
!! a35
assign (resid 34 and name c and segid d ) (resid 35 and name n and segid d )
(resid 35 and name ca and segid d) (resid 35 and name c and segid d )
(resid 36 and name n and segid d ) 53.94 18.58
!! k36
assign (resid 35 and name c and segid d ) (resid 36 and name n and segid d )
(resid 36 and name ca and segid d) (resid 36 and name c and segid d )
(resid 37 and name n and segid d ) 56.67 28.94
!! m37
assign (resid 36 and name c and segid d ) (resid 37 and name n and segid d )
(resid 37 and name ca and segid d) (resid 37 and name c and segid d )
(resid 38 and name n and segid d ) 53.35 19.10
!! i38
assign (resid 37 and name c and segid d ) (resid 38 and name n and segid d )
(resid 38 and name ca and segid d) (resid 38 and name c and segid d )
(resid 39 and name n and segid d ) 45.60 0.00
!! k39
assign (resid 38 and name c and segid d ) (resid 39 and name n and segid d )
(resid 39 and name ca and segid d) (resid 39 and name c and segid d )
(resid 40 and name n and segid d ) 56.16 33.32
!! p40
assign (resid 39 and name c and segid d ) (resid 40 and name n and segid d )
(resid 40 and name ca and segid d) (resid 40 and name c and segid d )
(resid 41 and name n and segid d ) 54.70 29.71
!! f41
assign (resid 40 and name c and segid d ) (resid 41 and name n and segid d )
(resid 41 and name ca and segid d) (resid 41 and name c and segid d )
(resid 42 and name n and segid d ) 63.62 32.23
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