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 |
|
|
20339 |
2fk4   |
6407 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! NOE between residues that do not display exchange contribution in 15N dispersion experiment
! For these distances the parameter SQOFFSET is set to -0.2
! Other parameters are :
! averaging * sum
! potential * square
! sqconstant * 1.
! sqexponent * 2
! scale * 50.
assign (resid 2 and name HA ) ( resid 3 and name HN ) 5.00 3.10 1.00 ! 3833_3D
assign (resid 2 and name HA ) ( resid 4 and name HN ) 5.00 3.10 1.00 ! 3931_3D
assign (resid 2 and name HA ) ( resid 4 and name HD# ) 6.00 4.10 1.01 ! 3516_2D ! no amb.
assign (resid 3 and name HA ) ( resid 4 and name HN ) 5.00 3.10 1.00 ! 3574_3D
assign (resid 3 and name HA ) ( resid 4 and name HD# ) 5.00 3.10 1.01 ! 3515_2D
assign (resid 3 and name HB# ) ( resid 4 and name HN ) 5.00 3.10 2.00 ! 3831_3D
assign (resid 3 and name HB# ) ( resid 4 and name HD# ) 5.00 3.10 1.61 ! 3806_2D BK ADD 0.5
assign (resid 3 and name HB# ) ( resid 4 and name HE# ) 5.00 3.10 1.61 ! 3807_2D BK ADD 0.5
assign (resid 3 and name HB# ) ( resid 51 and name HD1# ) 4.45 2.60 1.01 ! 3758_2D
assign (resid 3 and name HB# ) ( resid 51 and name HG11 ) 5.00 3.10 0.99 ! 3855_2D
assign (resid 4 and name HA ) ( resid 5 and name HN ) 2.50 0.60 1.00 ! 5 ! beta1
assign (resid 4 and name HB1 ) ( resid 5 and name HN ) 5.00 3.10 1.00 ! 3576_3D
assign (resid 4 and name HB2 ) ( resid 5 and name HN ) 5.00 3.10 1.00 ! 3575_3D
assign (resid 4 and name HD# ) ( resid 5 and name HN ) 5.00 3.10 1.01 ! 3579_3D
assign (resid 4 and name HE# ) ( resid 5 and name HN ) 5.00 3.10 1.01 ! 3580_3D
assign (resid 4 and name HD# ) ( resid 50 and name HN ) 5.00 3.10 1.01 ! 3863_2D
assign (resid 4 and name HB1 ) ( resid 50 and name HN ) 5.00 3.10 1.00 ! 3872_3D
assign (resid 4 and name HB2 ) ( resid 50 and name HN ) 5.00 3.10 1.00 ! 3592_3D
assign (resid 5 and name HA ) ( resid 6 and name HN ) 2.50 0.60 1.00 ! 2291_3D ! beta1
assign (resid 5 and name HN ) ( resid 6 and name HN ) 4.50 2.60 1.00 ! 3581_3D ! beta1
assign (resid 5 and name HB1 ) ( resid 6 and name HN ) 5.00 3.10 1.00 ! 2292_3D
assign (resid 5 and name HB2 ) ( resid 6 and name HN ) 5.00 3.10 1.00 ! 2293_3D
assign (resid 5 and name HA ) ( resid 49 and name HB# ) 5.00 3.10 0.99 ! 3921_2D
assign (resid 5 and name HA ) ( resid 55 and name HE3 ) 5.00 3.10 0.99 ! 3799_2D
assign (resid 5 and name HA ) ( resid 55 and name HH2 ) 5.00 3.10 1.00 ! 3804_2D
assign (resid 5 and name HA ) ( resid 55 and name HZ2 ) 5.00 3.10 1.00 ! 3800_2D
assign (resid 5 and name HA ) ( resid 55 and name HZ3 ) 5.00 3.10 1.00 ! 3798_2D
assign (resid 5 and name HB1 ) ( resid 55 and name HZ2 ) 5.00 3.10 1.00 ! 3803_2D
assign (resid 5 and name HB2 ) ( resid 55 and name HZ2 ) 5.00 3.10 1.00 ! 3802_2D
assign (resid 6 and name HA ) ( resid 4 and name HE# ) 5.00 3.10 1.01 ! 3511_2D
assign (resid 6 and name HB2 ) ( resid 4 and name HD# ) 5.00 3.10 1.01 ! 3614_2D
assign (resid 6 and name HB2 ) ( resid 4 and name HE# ) 5.00 3.10 1.01 ! 3613_2D
assign (resid 6 and name HD1# ) ( resid 4 and name HD# ) 5.00 3.10 1.11 ! 3578_2D
assign (resid 6 and name HD1# ) ( resid 4 and name HE# ) 5.00 3.10 1.11 ! 3579_2D
assign (resid 6 and name HD2# ) ( resid 4 and name HD# ) 4.45 2.60 1.75 ! 3576_2D ! calib.
assign (resid 6 and name HD2# ) ( resid 4 and name HE# ) 3.70 1.80 1.21 ! 3577_2D
assign (resid 6 and name HD## ) ( resid 14 and name HN ) 5.00 3.10 0.99 ! 2337_3D
assign (resid 6 and name HD## ) ( resid 15 and name HD# ) 5.00 3.10 1.11 ! 3619_2D
assign (resid 6 and name HD## ) ( resid 15 and name HE# ) 5.00 3.10 1.11 ! 3618_2D
assign (resid 6 and name HD## ) ( resid 49 and name HN ) 5.00 3.10 0.99 ! 3857_3D
assign (resid 6 and name HG ) ( resid 55 and name HZ2 ) 5.00 3.10 1.00 ! 3805_2D
assign (resid 6 and name HG ) ( resid 55 and name HZ3 ) 5.00 3.10 1.00 ! 3761_2D
assign (resid 6 and name HB2 ) ( resid 55 and name HZ2 ) 5.00 3.10 1.00 ! 3955_2D
assign (resid 6 and name HB2 ) ( resid 55 and name HZ3 ) 5.00 3.10 1.00 ! 3989_2D
assign (resid 6 and name HD2# ) ( resid 55 and name HE1 ) 6.00 4.10 1.01 ! 3601_3D
assign (resid 6 and name HD2# ) ( resid 55 and name HZ2 ) 4.05 2.10 1.50 ! 3610_2D ! calib.
assign (resid 6 and name HD2# ) ( resid 55 and name HZ3 ) 5.00 3.10 0.99 ! 3624_2D
assign (resid 14 and name HA ) ( resid 15 and name HN ) 3.50 1.60 1.00 ! 1784_3D ! alpha1
assign (resid 14 and name HN ) ( resid 15 and name HN ) 3.00 1.10 1.00 ! 3616_3D ! alpha1
assign (resid 14 and name HN ) ( resid 15 and name HD# ) 5.00 3.10 1.01 ! 3792_2D
assign (resid 14 and name HN ) ( resid 15 and name HE# ) 5.00 3.10 1.01 ! 3791_2D
assign (resid 14 and name HB# ) ( resid 15 and name HE# ) 5.00 3.10 1.11 ! 3574_2D
assign (resid 14 and name HB1 ) ( resid 15 and name HN ) 5.00 3.10 1.00 ! 3623_3D
assign (resid 14 and name HB2 ) ( resid 15 and name HN ) 5.00 3.10 1.00 ! 2743_3D
assign (resid 14 and name HG1 ) ( resid 15 and name HN ) 5.00 3.10 1.00 ! 2741_3D
assign (resid 14 and name HG1 ) ( resid 15 and name HD# ) 5.00 3.10 1.01 ! 3571_2D
assign (resid 14 and name HG1 ) ( resid 15 and name HE# ) 5.00 3.10 1.01 ! 3572_2D
assign (resid 14 and name HG2 ) ( resid 15 and name HN ) 5.00 3.10 1.00 ! 2742_3D
assign (resid 14 and name HG2 ) ( resid 15 and name HD# ) 5.00 3.10 1.01 ! 3575_2D
assign (resid 14 and name HG2 ) ( resid 15 and name HE# ) 5.00 3.10 1.01 ! 3573_2D
assign (resid 14 and name HB1 ) ( resid 16 and name HN ) 5.00 3.10 1.00 ! 3919_3D
assign (resid 14 and name HG1 ) ( resid 16 and name HN ) 5.00 3.10 1.00 ! 2329_3D
assign (resid 14 and name HG2 ) ( resid 16 and name HN ) 5.00 3.10 1.00 ! 2330_3D
assign (resid 15 and name HB# ) ( resid 6 and name HD1# ) 5.00 3.10 0.99 ! 3977_2D
assign (resid 15 and name HB# ) ( resid 6 and name HD2# ) 5.00 3.10 0.99 ! 3978_2D
assign (resid 15 and name HD# ) ( resid 14 and name HN ) 5.00 3.10 1.01 ! 3614_3D
assign (resid 15 and name HA ) ( resid 16 and name HN ) 3.50 1.80 0.80 ! 2488_3D ! alpha1
assign (resid 15 and name HB1 ) ( resid 16 and name HN ) 5.00 3.10 1.00 ! 2490_3D
assign (resid 15 and name HB2 ) ( resid 16 and name HN ) 5.00 3.10 1.00 ! 2489_3D
assign (resid 15 and name HD# ) ( resid 16 and name HN ) 5.00 3.10 1.01 ! 3620_3D
assign (resid 13 and name HA ) ( resid 15 and name HN ) 4.50 2.60 1.00 ! 3972_3D ! alpha1
assign (resid 13 and name HA ) ( resid 16 and name HN ) 3.50 1.60 1.00 ! 3973_3D ! alpha1
assign (resid 14 and name HN ) ( resid 12 and name HN ) 4.20 2.30 1.00 ! 3855_3D ! alpha1
assign (resid 14 and name HN ) ( resid 13 and name HN ) 3.00 1.10 1.00 ! 3630_3D ! alpha1
assign (resid 12 and name HA ) ( resid 15 and name HN ) 5.00 3.10 1.00 ! ! alpha1
assign (resid 13 and name HN ) ( resid 12 and name HN ) 3.00 1.10 1.00 ! 3854_3D ! alpha1
assign (resid 17 and name HN ) ( resid 15 and name HN ) 4.20 2.30 1.00 ! 3933_2D ! alpha1
assign (resid 17 and name HN ) ( resid 16 and name HN ) 3.00 1.10 1.00 ! 3617_3D ! alpha1
assign (resid 13 and name HA ) ( resid 14 and name HN ) 3.50 1.60 0.80 ! 2334_3D ! alpha1
assign (resid 15 and name HA ) ( resid 22 and name HD1# ) 5.00 3.10 0.99 ! 3680_2D
assign (resid 15 and name HA ) ( resid 22 and name HD2# ) 5.00 3.10 0.99 ! 3679_2D
assign (resid 15 and name HB1 ) ( resid 22 and name HD1# ) 4.45 2.60 1.50 ! 3676_2D ! calib.
assign (resid 15 and name HB1 ) ( resid 22 and name HD2# ) 4.45 2.60 1.50 ! 3677_2D ! calib.
assign (resid 15 and name HB2 ) ( resid 22 and name HD1# ) 4.45 2.60 1.50 ! 3675_2D ! calib.
assign (resid 15 and name HB2 ) ( resid 22 and name HD2# ) 4.45 2.60 1.50 ! 3678_2D ! calib.
assign (resid 15 and name HE# ) ( resid 55 and name HE1 ) 4.05 2.10 1.50 ! 4057_2D ! calib.
assign (resid 16 and name HN ) ( resid 14 and name HN ) 4.50 2.60 1.00 ! 2331_3D ! alpha1
assign (resid 16 and name HN ) ( resid 15 and name HN ) 3.00 1.10 1.00 ! 3619_3D ! alpha1
assign (resid 21 and name HA ) ( resid 22 and name HN ) 3.70 1.80 0.80 ! 1850_3D
assign (resid 21 and name HN ) ( resid 22 and name HN ) 3.70 1.80 0.80 ! 3635_3D
assign (resid 21 and name HB1 ) ( resid 22 and name HN ) 5.00 3.10 1.00 ! 3542_2D
assign (resid 21 and name HB2 ) ( resid 22 and name HN ) 5.00 3.10 1.00 ! 1851_3D
assign (resid 21 and name HB# ) ( resid 24 and name HN ) 6.00 4.10 1.50 ! 3839_3D ! de-stereo (run 78)
assign (resid 22 and name HD1# ) ( resid 15 and name HN ) 5.00 3.10 0.99 ! 3633_3D
assign (resid 22 and name HD1# ) ( resid 15 and name HD# ) 5.00 3.10 1.11 ! 3590_2D
assign (resid 22 and name HD1# ) ( resid 15 and name HE# ) 5.00 3.10 1.11 ! 3591_2D
assign (resid 22 and name HD2# ) ( resid 15 and name HN ) 5.00 3.10 0.99 ! 3634_3D
assign (resid 22 and name HD2# ) ( resid 15 and name HD# ) 5.00 3.10 1.11 ! 3592_2D
assign (resid 22 and name HD2# ) ( resid 15 and name HE# ) 5.00 3.10 1.11 ! 3593_2D
assign (resid 22 and name HA ) ( resid 21 and name HN ) 5.00 3.10 1.00 ! 3650_3D
assign (resid 22 and name HG ) ( resid 21 and name HN ) 5.00 3.10 1.00 ! 3647_3D
assign (resid 22 and name HD1# ) ( resid 21 and name HN ) 5.00 3.10 0.99 ! 2443_3D
assign (resid 22 and name HD2# ) ( resid 21 and name HN ) 5.00 3.10 0.99 ! 2444_3D
assign (resid 22 and name HG ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 3659_2D
assign (resid 22 and name HB1 ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 3658_2D
assign (resid 22 and name HD1# ) ( resid 24 and name HD1# ) 5.00 3.10 1.01 ! 3656_2D
assign (resid 22 and name HD2# ) ( resid 24 and name HD1# ) 5.00 3.10 1.01 ! 3657_2D
assign (resid 22 and name HD1# ) ( resid 55 and name HD1 ) 6.00 4.10 1.01 ! 3585_2D
assign (resid 22 and name HD1# ) ( resid 55 and name HE1 ) 6.00 4.10 1.01 ! 3631_3D
assign (resid 22 and name HD1# ) ( resid 55 and name HH2 ) 6.00 4.10 0.99 ! 3598_2D
assign (resid 22 and name HD2# ) ( resid 55 and name HD1 ) 6.00 4.10 1.01 ! 3586_2D
assign (resid 22 and name HD2# ) ( resid 55 and name HE1 ) 6.00 4.10 1.01 ! 3632_3D
assign (resid 24 and name HD1# ) ( resid 22 and name HN ) 5.00 3.10 0.99 ! 3864_3D
assign (resid 24 and name HG12 ) ( resid 22 and name HD1# ) 5.00 3.10 1.01 ! 3684_2D ! ancien 6/22
assign (resid 24 and name HG12 ) ( resid 22 and name HD2# ) 5.00 3.10 1.01 ! 3685_2D ! ancien 6/22
assign (resid 24 and name HG11 ) ( resid 22 and name HD## ) 5.00 3.10 1.01 ! test
assign (resid 24 and name HA ) ( resid 25 and name HN ) 3.70 1.80 0.80 ! 2524_3D
assign (resid 24 and name HB ) ( resid 25 and name HN ) 5.00 3.10 1.00 ! 2525_3D
assign (resid 24 and name HD1# ) ( resid 25 and name HN ) 5.00 3.10 0.99 ! 2528_3D
assign (resid 24 and name HG11 ) ( resid 25 and name HN ) 5.00 3.10 1.00 ! 2527_3D
assign (resid 24 and name HG2# ) ( resid 25 and name HN ) 5.00 3.10 0.99 ! 2526_3D
assign (resid 24 and name HG2# ) ( resid 48 and name HZ ) 5.00 3.10 1.20 ! test
assign (resid 24 and name HG2# ) ( resid 48 and name HD# ) 5.00 3.10 1.20 ! test
assign (resid 24 and name HG2# ) ( resid 48 and name HE# ) 5.00 3.10 1.20 ! test
assign (resid 24 and name HD1# ) ( resid 48 and name HZ ) 5.00 3.10 0.99 ! 3600_2D
assign (resid 24 and name HD1# ) ( resid 48 and name HD# ) 4.45 2.60 1.50 ! 3599_2D ! calib.
assign (resid 24 and name HD1# ) ( resid 55 and name HN ) 5.00 3.10 0.99 ! 2232_3D
assign (resid 24 and name HD1# ) ( resid 55 and name HD1 ) 5.00 3.10 1.01 ! 3587_2D
assign (resid 24 and name HD1# ) ( resid 55 and name HE3 ) 5.00 3.10 1.01 ! 3584_2D
assign (resid 24 and name HD1# ) ( resid 55 and name HZ3 ) 5.00 3.10 0.99 ! 3583_2D
assign (resid 24 and name HG11 ) ( resid 55 and name HB1 ) 5.00 3.10 1.00 ! 3643_2D
assign (resid 24 and name HG11 ) ( resid 55 and name HB2 ) 5.00 3.10 1.00 ! 3639_2D
assign (resid 24 and name HG11 ) ( resid 55 and name HD1 ) 5.00 3.10 0.99 ! 3607_2D
assign (resid 24 and name HG12 ) ( resid 55 and name HB1 ) 5.00 3.10 1.00 ! 3642_2D
assign (resid 24 and name HG12 ) ( resid 55 and name HD1 ) 5.00 3.10 0.99 ! 3609_2D
assign (resid 24 and name HG2# ) ( resid 55 and name HN ) 5.00 3.10 0.99 ! 2233_3D
assign (resid 24 and name HG2# ) ( resid 55 and name HB1 ) 5.00 3.10 0.99 ! 3644_2D
assign (resid 24 and name HG2# ) ( resid 55 and name HD1 ) 5.00 3.10 1.01 ! 3608_2D
assign (resid 24 and name HD1# ) ( resid 56 and name HN ) 5.00 3.10 0.99 ! 3782_3D
assign (resid 25 and name HN ) ( resid 24 and name HN ) 5.00 3.10 1.00 ! 3656_3D
assign (resid 25 and name HA ) ( resid 26 and name HN ) 3.50 1.60 1.00 ! 2237_3D
assign (resid 25 and name HA ) ( resid 26 and name HB1 ) 5.00 3.10 1.00 ! 3527_2D
assign (resid 25 and name HA ) ( resid 26 and name HB2 ) 5.00 3.10 1.00 ! 3526_2D
assign (resid 25 and name HB1 ) ( resid 26 and name HN ) 3.01 1.10 1.50 ! 2139_3D ! calib82
assign (resid 25 and name HB2 ) ( resid 26 and name HN ) 3.01 1.10 1.50 ! 2138_3D ! calib82
assign (resid 25 and name HG1 ) ( resid 26 and name HN ) 5.00 3.10 1.00 ! 2164_3D
assign (resid 25 and name HG2 ) ( resid 26 and name HN ) 3.70 1.80 0.98 ! 2140_3D
assign (resid 25 and name HB1 ) ( resid 28 and name HN ) 5.00 3.10 1.00 ! 4100_2D
assign (resid 25 and name HD1 ) ( resid 30 and name HB1 ) 5.00 3.10 1.00 ! 3536_2D
assign (resid 25 and name HD1 ) ( resid 30 and name HB2 ) 5.00 3.10 1.00 ! 3535_2D
assign (resid 25 and name HD1 ) ( resid 30 and name HG1 ) 5.00 3.10 1.00 ! 3534_2D
assign (resid 25 and name HD1 ) ( resid 30 and name HG2 ) 5.00 3.10 1.00 ! 3532_2D
assign (resid 25 and name HD2 ) ( resid 30 and name HB1 ) 5.00 3.10 1.00 ! 3539_2D
assign (resid 25 and name HD2 ) ( resid 30 and name HB2 ) 5.00 3.10 1.00 ! 3538_2D
assign (resid 25 and name HD2 ) ( resid 30 and name HG1 ) 5.00 3.10 1.00 ! 3537_2D
assign (resid 25 and name HD2 ) ( resid 30 and name HG2 ) 5.00 3.10 1.00 ! 3533_2D
assign (resid 25 and name HB# ) ( resid 30 and name HN ) 5.00 3.10 1.00 ! 4097_2D
assign (resid 25 and name HD1 ) ( resid 30 and name HE21 ) 5.00 3.10 1.00 ! 3958_3D
assign (resid 25 and name HD2 ) ( resid 30 and name HE21 ) 5.00 3.10 1.00 ! 3957_3D
assign (resid 25 and name HG# ) ( resid 30 and name HN ) 5.00 3.10 1.00 ! 4098_2D ! de-stereo
assign (resid 25 and name HG# ) ( resid 30 and name HE21 ) 5.00 3.10 1.00 ! 3959_3D ! de-stereo
assign (resid 25 and name HG# ) ( resid 30 and name HE22 ) 5.00 3.10 1.00 ! 3960_3D ! de-stereo
assign (resid 25 and name HA ) ( resid 32 and name HB# ) 6.00 4.10 1.00 ! 4211_2D ! mvt <- run 78
assign (resid 25 and name HA ) ( resid 32 and name HG# ) 6.00 4.10 1.00 ! 4212_2D ! mvt <- run 78
assign (resid 25 and name HA ) ( resid 33 and name HD2# ) 5.00 3.10 0.99 ! 4213_2D
assign (resid 25 and name HA ) ( resid 33 and name HN ) 5.00 3.10 1.11 ! 2137_3D
assign (resid 25 and name HG1 ) ( resid 33 and name HN ) 5.00 3.10 1.00 ! 3946_3D
assign (resid 25 and name HG2 ) ( resid 33 and name HN ) 5.00 3.10 1.00 ! 3945_3D
assign (resid 26 and name HN ) ( resid 25 and name HN ) 5.00 3.10 1.00 ! 3788_3D
assign (resid 26 and name HB2 ) ( resid 25 and name HG2 ) 5.00 3.10 1.00 ! 3767_2D
assign (resid 26 and name HA ) ( resid 28 and name HN ) 5.00 3.10 1.00 ! 2189_3D
assign (resid 26 and name HA ) ( resid 28 and name HD21 ) 5.00 3.10 1.00 ! 3898_2D
assign (resid 26 and name HB1 ) ( resid 28 and name HN ) 5.01 3.10 1.50 ! 2187_3D ! calib82
assign (resid 26 and name HB1 ) ( resid 28 and name HD21 ) 5.00 3.10 1.00 ! 3899_2D
assign (resid 26 and name HB2 ) ( resid 28 and name HN ) 5.01 3.10 1.50 ! 2188_3D ! calib82
assign (resid 26 and name HN ) ( resid 29 and name HN ) 5.00 3.10 1.00 ! 3567_3D
assign (resid 26 and name HB2 ) ( resid 29 and name HB2 ) 5.00 3.10 1.00 ! 3524_2D
assign (resid 26 and name HN ) ( resid 30 and name HN ) 4.45 2.60 1.50 ! 3553_3D ! calib.
assign (resid 26 and name HB1 ) ( resid 30 and name HN ) 3.70 1.80 0.80 ! 2056_3D
assign (resid 26 and name HB2 ) ( resid 30 and name HN ) 3.70 1.80 0.80 ! 2057_3D
assign (resid 26 and name HB2 ) ( resid 30 and name HB2 ) 5.00 3.10 1.00 ! 3901_2D
assign (resid 26 and name HB2 ) ( resid 30 and name HG1 ) 5.00 3.10 1.00 ! 3531_2D
assign (resid 26 and name HB2 ) ( resid 30 and name HG2 ) 5.00 3.10 1.00 ! 3530_2D
assign (resid 26 and name HN ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 3544_3D
assign (resid 26 and name HB1 ) ( resid 31 and name HN ) 4.41 2.60 1.50 ! 2054_3D ! calib82
assign (resid 26 and name HB2 ) ( resid 31 and name HN ) 4.45 2.60 1.00 ! 2055_3D
assign (resid 26 and name HN ) ( resid 33 and name HN ) 5.00 3.10 1.00 ! 3830_3D
assign (resid 26 and name HA ) ( resid 33 and name HD1# ) 4.45 2.60 2.00 ! 4157_2D ! ancien 12/19 ! calib.
assign (resid 26 and name HA ) ( resid 33 and name HD2# ) 4.45 2.60 2.00 ! 3712_2D ! ancien 12/19 ! calib.
assign (resid 26 and name HB1 ) ( resid 33 and name HD1# ) 4.45 2.60 1.50 ! 3713_2D ! calib.
assign (resid 26 and name HB1 ) ( resid 33 and name HD2# ) 4.45 2.60 1.50 ! 3715_2D ! calib.
assign (resid 26 and name HB2 ) ( resid 33 and name HD1# ) 4.45 2.60 1.50 ! 3709_2D ! calib.
assign (resid 26 and name HB2 ) ( resid 33 and name HD2# ) 4.45 2.60 1.50 ! 3710_2D ! calib.
assign (resid 26 and name HB# ) ( resid 60 and name HN ) 6.00 4.10 1.00 ! 3924_3D
assign (resid 28 and name HA ) ( resid 29 and name HN ) 3.70 1.80 1.00 ! 2474_3D
assign (resid 28 and name HN ) ( resid 29 and name HN ) 3.01 1.10 1.50 ! 3548_3D ! calib82
assign (resid 28 and name HB1 ) ( resid 29 and name HN ) 3.01 1.10 1.50 ! 2476_3D ! calib82
assign (resid 28 and name HB1 ) ( resid 29 and name HB# ) 5.00 3.10 1.00 ! 3541_2D
assign (resid 28 and name HB2 ) ( resid 29 and name HN ) 3.01 1.10 1.50 ! 2475_3D ! calib82
assign (resid 28 and name HB2 ) ( resid 29 and name HB# ) 5.00 3.10 1.00 ! 3529_2D
assign (resid 28 and name HB1 ) ( resid 30 and name HE22 ) 5.00 3.10 1.00 ! 3787_3D
assign (resid 28 and name HB2 ) ( resid 62 and name HB2 ) 5.00 3.10 1.00 ! 3523_2D
assign (resid 28 and name HD21 ) ( resid 62 and name HN ) 5.00 3.10 1.00 ! 3923_3D
assign (resid 28 and name HD22 ) ( resid 62 and name HN ) 5.00 3.10 1.00 ! 3929_3D
assign (resid 29 and name HA ) ( resid 26 and name HB1 ) 5.00 3.10 1.00 ! 3900_2D
assign (resid 29 and name HB2 ) ( resid 26 and name HB1 ) 5.00 3.10 1.00 ! 3540_2D
assign (resid 29 and name HN ) ( resid 28 and name HD21 ) 5.00 3.10 1.00 ! 2196_3D
assign (resid 29 and name HN ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3893_3D
assign (resid 29 and name HB1 ) ( resid 28 and name HN ) 5.00 3.10 1.00 ! 3892_3D
assign (resid 29 and name HB1 ) ( resid 28 and name HD21 ) 5.00 3.10 1.00 ! 3681_3D
assign (resid 29 and name HB1 ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3684_3D
assign (resid 29 and name HB1 ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3762_2D
assign (resid 29 and name HB2 ) ( resid 28 and name HN ) 5.00 3.10 1.00 ! 3891_3D
assign (resid 29 and name HB2 ) ( resid 28 and name HD21 ) 5.00 3.10 1.00 ! 3679_3D
assign (resid 29 and name HB2 ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3570_2D
assign (resid 29 and name HB2 ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3682_3D
assign (resid 29 and name HA ) ( resid 30 and name HN ) 3.70 1.80 0.80 ! 1783_3D
assign (resid 29 and name HA ) ( resid 30 and name HE21 ) 4.70 2.80 0.80 ! 3905_2D
assign (resid 29 and name HA ) ( resid 30 and name HE22 ) 4.70 2.80 0.80 ! 3906_2D
assign (resid 29 and name HN ) ( resid 30 and name HE21 ) 5.00 3.10 1.00 ! 3894_3D
assign (resid 29 and name HB1 ) ( resid 30 and name HN ) 3.70 1.80 0.98 ! 3023_3D
assign (resid 29 and name HB2 ) ( resid 30 and name HN ) 4.45 2.60 1.00 ! 2243_3D
assign (resid 29 and name HN ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 3556_3D
assign (resid 29 and name HB1 ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 3022_3D
assign (resid 29 and name HB2 ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 2312_3D
assign (resid 30 and name HA ) ( resid 26 and name HN ) 5.00 3.10 1.00 ! 3551_2D
assign (resid 30 and name HA ) ( resid 26 and name HB1 ) 4.44 2.50 1.58 ! 3779_2D ! mean
assign (resid 30 and name HA ) ( resid 26 and name HB2 ) 4.44 2.50 1.58 ! 3521_2D ! mean
assign (resid 30 and name HB1 ) ( resid 26 and name HN ) 5.00 3.10 1.00 ! 3553_2D
assign (resid 30 and name HG1 ) ( resid 26 and name HN ) 5.00 3.10 1.00 ! 3552_2D
assign (resid 30 and name HN ) ( resid 28 and name HN ) 4.45 2.60 1.50 ! 3549_3D ! calib.
assign (resid 30 and name HN ) ( resid 29 and name HN ) 3.70 1.80 0.80 ! 3550_3D
assign (resid 30 and name HA ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 1782_3D
assign (resid 30 and name HN ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 2310_3D
assign (resid 30 and name HE21 ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 3550_2D
assign (resid 30 and name HE22 ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 3549_2D
assign (resid 31 and name HA ) ( resid 26 and name HN ) 4.01 2.10 2.00 ! 3554_2D ! calib82
assign (resid 31 and name HA ) ( resid 30 and name HB1 ) 5.00 3.10 1.00 ! 3908_2D
assign (resid 31 and name HA ) ( resid 32 and name HB2 ) 5.00 3.10 1.00 ! 3648_2D
assign (resid 31 and name HA ) ( resid 32 and name HG1 ) 4.05 2.10 1.50 ! 3650_2D ! calib.
assign (resid 31 and name HA ) ( resid 32 and name HG2 ) 4.05 2.10 1.50 ! 3649_2D ! calib.
assign (resid 31 and name HA ) ( resid 32 and name HD1 ) 3.70 1.80 1.00 ! 4115_2D
assign (resid 32 and name HA ) ( resid 25 and name HG# ) 6.00 4.10 1.00 ! 4060_2D ! mvt <- run 78
assign (resid 32 and name HA ) ( resid 25 and name HB# ) 6.00 4.10 1.00 ! 4061_2D ! mvt <- run 78
assign (resid 32 and name HB# ) ( resid 25 and name HG# ) 4.50 2.60 1.01 ! 3652_2D ! mvt <- run 78
assign (resid 32 and name HD1 ) ( resid 25 and name HG# ) 6.00 4.10 1.00 ! 3646_2D ! mvt <- run 78
assign (resid 32 and name HD2 ) ( resid 25 and name HG# ) 6.00 4.10 1.00 ! 3645_2D ! mvt <- run 78
assign (resid 32 and name HG2 ) ( resid 25 and name HG# ) 4.70 2.80 0.98 ! 3653_2D ! mvt <- run 78
assign (resid 32 and name HA ) ( resid 26 and name HN ) 5.00 3.10 1.50 ! 2977_3D
assign (resid 32 and name HD1 ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 2015_3D
assign (resid 32 and name HD2 ) ( resid 31 and name HN ) 5.00 3.10 1.00 ! 2946_3D
assign (resid 32 and name HA ) ( resid 33 and name HN ) 3.70 1.80 0.80 ! 2018_3D
assign (resid 32 and name HB2 ) ( resid 33 and name HN ) 5.00 3.10 1.00 ! 2013_3D
assign (resid 32 and name HG1 ) ( resid 33 and name HN ) 5.00 3.10 1.00 ! 2011_3D
assign (resid 32 and name HG2 ) ( resid 33 and name HN ) 5.00 3.10 1.00 ! 2943_3D
assign (resid 33 and name HG ) ( resid 26 and name HN ) 5.00 3.10 1.00 ! 4034_2D
assign (resid 33 and name HD1# ) ( resid 26 and name HN ) 3.70 1.80 1.98 ! 3364_3D ! calib.
assign (resid 33 and name HD2# ) ( resid 26 and name HN ) 3.70 1.80 1.98 ! 2144_3D ! calib.
assign (resid 33 and name HD1# ) ( resid 28 and name HN ) 5.00 3.10 0.99 ! 3949_3D
assign (resid 33 and name HD1# ) ( resid 29 and name HN ) 5.00 3.10 0.99 ! 3783_3D
assign (resid 33 and name HD1# ) ( resid 30 and name HN ) 5.00 3.10 0.99 ! 3665_3D
assign (resid 33 and name HD1# ) ( resid 31 and name HN ) 5.00 3.10 0.99 ! 3666_3D
assign (resid 33 and name HA ) ( resid 34 and name HG ) 5.00 3.10 1.00 ! 3833_2D
assign (resid 33 and name HA ) ( resid 34 and name HB# ) 5.00 3.10 1.00 ! 4217_2D
assign (resid 33 and name HA ) ( resid 34 and name HN ) 2.50 0.60 0.50 ! 970_3D
assign (resid 33 and name HG ) ( resid 34 and name HN ) 3.70 1.80 0.80 ! 2020_3D
assign (resid 33 and name HB1 ) ( resid 34 and name HN ) 5.00 3.10 1.00 ! 971_3D
assign (resid 33 and name HB2 ) ( resid 34 and name HN ) 4.05 2.10 1.50 ! 3948_3D ! calib.
assign (resid 33 and name HD1# ) ( resid 34 and name HN ) 5.00 3.10 0.99 ! 3659_3D
assign (resid 33 and name HD2# ) ( resid 34 and name HN ) 3.70 1.80 1.11 ! 2019_3D
assign (resid 33 and name HA ) ( resid 35 and name HB# ) 6.00 4.10 1.00 ! 4135_2D
assign (resid 33 and name HA ) ( resid 35 and name HB# ) 6.00 4.10 1.00 ! 3839_2D
assign (resid 33 and name HA ) ( resid 35 and name HG# ) 6.00 4.10 1.00 ! 4133_2D
assign (resid 33 and name HA ) ( resid 35 and name HG# ) 6.00 4.10 1.00 ! 4131_2D
assign (resid 33 and name HA ) ( resid 36 and name HN ) 5.00 3.10 1.00 ! 2175_3D
assign (resid 33 and name HA ) ( resid 37 and name HN ) 5.00 3.10 1.00 ! 2446_3D
assign (resid 33 and name HA ) ( resid 37 and name HB# ) 5.00 3.10 0.99 ! 3763_2D
assign (resid 33 and name HG ) ( resid 37 and name HN ) 4.45 3.10 1.00 ! 3704_3D
assign (resid 33 and name HB1 ) ( resid 37 and name HN ) 5.00 3.10 1.00 ! 3703_3D
assign (resid 33 and name HD1# ) ( resid 37 and name HN ) 5.00 3.10 0.99 ! 3701_3D
assign (resid 33 and name HD2# ) ( resid 37 and name HN ) 5.00 3.10 0.99 ! 3702_3D
assign (resid 33 and name HA ) ( resid 38 and name HN ) 5.00 3.10 1.00 ! 3715_3D
assign (resid 33 and name HB# ) ( resid 38 and name HN ) 4.05 2.10 1.75 ! 3944_3D ! calib.
assign (resid 33 and name HD1# ) ( resid 38 and name HN ) 5.00 3.10 0.99 ! 3699_3D
assign (resid 33 and name HD2# ) ( resid 38 and name HN ) 5.00 3.10 0.99 ! 3700_3D
assign (resid 33 and name HD1# ) ( resid 48 and name HZ ) 5.00 3.10 0.99 ! test
assign (resid 33 and name HD## ) ( resid 56 and name HN ) 5.00 3.10 1.00 ! 3669_3D ! suite OR run 79
assign (resid 33 and name HD1# ) ( resid 60 and name HN ) 5.00 3.10 0.99 ! 3898_3D
assign (resid 33 and name HD## ) ( resid 61 and name HN ) 6.00 4.10 2.00 ! 3661_3D
assign (resid 34 and name HN ) ( resid 33 and name HN ) 5.00 3.10 1.00 ! 3566_3D
assign (resid 34 and name HA ) ( resid 35 and name HB1 ) 5.00 3.10 1.00 ! 4136_2D
assign (resid 34 and name HA ) ( resid 35 and name HB2 ) 5.00 3.10 1.00 ! 3840_2D
assign (resid 34 and name HA ) ( resid 35 and name HD1 ) 5.00 3.10 1.00 ! 4140_2D
assign (resid 34 and name HA ) ( resid 35 and name HG1 ) 4.05 2.10 1.75 ! 4134_2D ! calib.
assign (resid 34 and name HA ) ( resid 35 and name HG2 ) 4.05 2.10 1.75 ! 4132_2D ! calib.
assign (resid 34 and name HG ) ( resid 35 and name HB1 ) 6.00 4.10 1.00 ! 4155_2D ! HG34
assign (resid 34 and name HG ) ( resid 35 and name HG1 ) 6.00 4.10 1.00 ! 3861_2D ! HG34
assign (resid 34 and name HA ) ( resid 36 and name HN ) 4.41 2.60 1.50 ! 1574_3D ! calib82
assign (resid 34 and name HG ) ( resid 36 and name HN ) 6.00 4.10 1.00 ! 3838_2D ! HG34
assign (resid 34 and name HG ) ( resid 36 and name HB1 ) 6.00 4.10 1.00 ! 3860_2D ! HG34
assign (resid 34 and name HG ) ( resid 36 and name HG1 ) 6.00 4.10 1.00 ! 3862_2D ! HG34
assign (resid 34 and name HA ) ( resid 37 and name HN ) 5.00 3.10 1.00 ! 2447_3D
assign (resid 34 and name HA ) ( resid 37 and name HB# ) 5.00 3.10 0.99 ! 3843_2D
assign (resid 34 and name HG ) ( resid 37 and name HN ) 6.00 4.10 1.00 ! 3836_2D ! HG34
assign (resid 34 and name HG ) ( resid 37 and name HG# ) 6.00 4.10 0.99 ! 3841_2D ! HG34
assign (resid 35 and name HB1 ) ( resid 34 and name HN ) 5.00 3.10 1.50 ! 4156_2D ! 34/35 + 0.5 ang BK
assign (resid 35 and name HD2 ) ( resid 34 and name HG ) 5.00 3.10 1.50 ! 4144_2D
assign (resid 35 and name HD2 ) ( resid 34 and name HN ) 5.00 3.10 1.50 ! 4145_2D
assign (resid 35 and name HG1 ) ( resid 34 and name HN ) 5.00 3.10 1.50 ! 4153_2D
assign (resid 35 and name HB1 ) ( resid 36 and name HN ) 3.70 1.80 0.98 ! 2101_3D
assign (resid 35 and name HB2 ) ( resid 36 and name HN ) 5.00 3.10 1.00 ! 2099_3D
assign (resid 35 and name HG# ) ( resid 36 and name HN ) 3.70 1.80 1.80 ! 2102_3D
assign (resid 35 and name HB1 ) ( resid 42 and name HD# ) 4.50 3.60 1.00 ! 4150_2D ! ancien 12/42
assign (resid 35 and name HB2 ) ( resid 42 and name HD# ) 4.50 3.60 1.00 ! 4151_2D ! ancien 12/42
assign (resid 35 and name HG# ) ( resid 42 and name HD# ) 5.00 4.10 1.00 ! 4152_2D ! ancien 12/42
assign (resid 36 and name HA ) ( resid 37 and name HN ) 3.70 1.80 0.80 ! 3694_3D
assign (resid 36 and name HB1 ) ( resid 37 and name HN ) 3.70 1.80 0.80 ! 3698_3D
assign (resid 36 and name HB2 ) ( resid 37 and name HN ) 3.70 1.80 0.80 ! 3697_3D
assign (resid 36 and name HG1 ) ( resid 37 and name HN ) 5.00 3.10 1.00 ! 3696_3D
assign (resid 36 and name HG2 ) ( resid 37 and name HN ) 3.70 1.80 0.98 ! 3695_3D
assign (resid 36 and name HN ) ( resid 38 and name HN ) 4.20 2.30 1.00 ! 3234_3D ! alpha
assign (resid 36 and name HA ) ( resid 39 and name HN ) 3.50 2.60 1.00 ! 3938_2D ! alpha
assign (resid 36 and name HN ) ( resid 40 and name HN ) 5.00 3.10 1.00 ! 3235_3D
assign (resid 37 and name HN ) ( resid 34 and name HN ) 5.00 3.10 1.00 ! 2035_3D
assign (resid 37 and name HB# ) ( resid 34 and name HG ) 5.00 3.10 0.99 ! 3868_2D
assign (resid 37 and name HB# ) ( resid 34 and name HN ) 3.70 1.80 1.80 ! 1617_3D
assign (resid 37 and name HN ) ( resid 36 and name HN ) 3.00 1.10 1.00 ! 3707_3D ! alpha2
assign (resid 37 and name HA ) ( resid 38 and name HN ) 3.50 1.80 0.80 ! 3713_3D
assign (resid 37 and name HB# ) ( resid 38 and name HN ) 3.70 1.80 1.80 ! 3714_3D
assign (resid 37 and name HA ) ( resid 39 and name HN ) 4.50 2.60 1.00 ! 3939_2D ! alpha2
assign (resid 37 and name HA ) ( resid 40 and name HN ) 3.50 1.60 1.00 ! 3921_3D ! alpha2
assign (resid 38 and name HA ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 3663_2D
assign (resid 38 and name HA ) ( resid 24 and name HG2# ) 5.00 3.10 0.99 ! 4027_2D
assign (resid 38 and name HB1 ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 3662_2D
assign (resid 38 and name HB2 ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 4009_2D
assign (resid 38 and name HD# ) ( resid 24 and name HD1# ) 5.00 3.10 1.01 ! 3668_2D
assign (resid 38 and name HE1 ) ( resid 24 and name HB ) 5.00 3.10 1.00 ! 4020_2D
assign (resid 38 and name HE1 ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 3665_2D
assign (resid 38 and name HE1 ) ( resid 24 and name HG2# ) 5.00 3.10 1.00 ! 4017_2D
assign (resid 38 and name HE1 ) ( resid 24 and name HG12 ) 5.00 3.10 1.00 ! 4019_2D
assign (resid 38 and name HE2 ) ( resid 24 and name HB ) 5.00 3.10 1.00 ! 4018_2D
assign (resid 38 and name HE2 ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 3660_2D
assign (resid 38 and name HE2 ) ( resid 24 and name HG11 ) 5.00 3.10 1.00 ! 3718_2D
assign (resid 38 and name HE2 ) ( resid 24 and name HG12 ) 5.00 3.10 1.00 ! 3722_2D
assign (resid 38 and name HE2 ) ( resid 24 and name HG2# ) 5.00 3.10 0.99 ! 3721_2D
assign (resid 38 and name HG# ) ( resid 24 and name HD1# ) 5.00 3.10 1.01 ! 4010_2D
assign (resid 38 and name HN ) ( resid 34 and name HN ) 5.00 3.10 1.00 ! 3705_3D
assign (resid 38 and name HE2 ) ( resid 34 and name HN ) 5.00 3.10 1.00 ! 3938_3D
assign (resid 38 and name HG# ) ( resid 34 and name HN ) 5.00 3.10 0.99 ! 3939_3D
assign (resid 38 and name HN ) ( resid 37 and name HN ) 3.00 1.10 0.80 ! 3708_3D ! alpha3
assign (resid 38 and name HE2 ) ( resid 37 and name HN ) 5.00 3.10 1.00 ! 3941_3D
assign (resid 38 and name HG# ) ( resid 37 and name HN ) 5.00 3.10 0.99 ! 3940_3D refine_87_noexc.tbl
assign (resid 38 and name HA ) ( resid 39 and name HN ) 3.50 1.60 1.00 ! 3726_3D ! alpha3
assign (resid 38 and name HB1 ) ( resid 39 and name HN ) 5.00 3.10 1.00 ! 3725_3D
assign (resid 38 and name HB2 ) ( resid 39 and name HN ) 5.00 3.10 1.00 ! 3723_3D
assign (resid 38 and name HD# ) ( resid 39 and name HN ) 5.00 3.10 0.99 ! 3943_3D
assign (resid 38 and name HE2 ) ( resid 39 and name HN ) 5.00 3.10 1.00 ! 3942_3D
assign (resid 38 and name HG# ) ( resid 39 and name HN ) 5.00 3.10 0.99 ! 3724_3D
assign (resid 38 and name HA ) ( resid 41 and name HN ) 3.50 1.60 1.00 ! 3940_2D ! alpha3
assign (resid 38 and name HA ) ( resid 41 and name HE1 ) 5.00 3.10 1.00 ! 3507_2D
assign (resid 38 and name HA ) ( resid 42 and name HN ) 4.20 2.70 1.00 ! 3508_2D ! alpha3
assign (resid 38 and name HA ) ( resid 48 and name HZ ) 5.00 3.10 1.00 ! 3817_2D
assign (resid 38 and name HA ) ( resid 48 and name HE# ) 5.00 3.10 1.01 ! 3874_2D
assign (resid 39 and name HA ) ( resid 40 and name HN ) 3.50 1.60 1.00 ! 3736_3D ! alpha3
assign (resid 39 and name HB# ) ( resid 40 and name HN ) 4.45 2.60 1.50 ! 3737_3D ! calib.
assign (resid 39 and name HG# ) ( resid 40 and name HN ) 3.70 1.80 1.80 ! 3738_3D
assign (resid 39 and name HE2# ) ( resid 38 and name HN ) 5.00 3.10 1.01 ! 3733_3D
assign (resid 39 and name HE22 ) ( resid 40 and name HN ) 5.00 3.10 1.00 ! 3757_3D
assign (resid 39 and name HN ) ( resid 41 and name HN ) 4.20 2.40 1.00 ! 3754_3D ! alpha3
assign (resid 39 and name HE22 ) ( resid 41 and name HN ) 5.00 3.10 1.00 ! 3760_3D
assign (resid 39 and name HA ) ( resid 42 and name HN ) 3.50 1.60 1.00 ! 3746_3D ! alpha3
assign (resid 39 and name HE22 ) ( resid 42 and name HN ) 5.00 3.10 1.00 ! 3762_3D
assign (resid 39 and name HA ) ( resid 43 and name HN ) 4.20 2.30 1.00 ! 3747_3D ! alpha3
assign (resid 40 and name HN ) ( resid 39 and name HN ) 3.00 1.10 1.00 ! 3727_3D ! alpha3
assign (resid 40 and name HB# ) ( resid 41 and name HN ) 3.70 1.80 1.80 ! 3742_3D
assign (resid 40 and name HA ) ( resid 41 and name HN ) 3.70 1.80 1.80 ! 4247_2D ! alpha3
assign (resid 40 and name HD# ) ( resid 41 and name HN ) 5.00 3.10 0.99 ! 3798_3D
assign (resid 40 and name HG# ) ( resid 41 and name HN ) 3.70 1.80 1.80 ! 3743_3D
assign (resid 40 and name HN ) ( resid 42 and name HN ) 4.20 2.30 1.00 ! 3761_3D ! alpha3
assign (resid 40 and name HA ) ( resid 43 and name HB# ) 4.05 2.10 1.50 ! 3937_2D ! calib.
assign (resid 41 and name HD2 ) ( resid 38 and name HN ) 5.00 3.10 1.00 ! 3734_3D
assign (resid 41 and name HE1 ) ( resid 38 and name HN ) 5.00 3.10 1.00 ! 3732_3D
assign (resid 41 and name HN ) ( resid 40 and name HN ) 3.00 1.10 1.00 ! 3729_3D ! alpha3
assign (resid 41 and name HD2 ) ( resid 40 and name HN ) 5.00 3.10 1.00 ! 3758_3D
assign (resid 41 and name HA ) ( resid 42 and name HN ) 3.50 1.60 1.00 ! 3922_3D ! alpha3
assign (resid 41 and name HB1 ) ( resid 42 and name HN ) 4.45 2.60 1.50 ! 3744_3D ! calib.
assign (resid 41 and name HB2 ) ( resid 42 and name HN ) 4.45 2.60 1.50 ! 3354_3D ! calib.
assign (resid 41 and name HD2 ) ( resid 42 and name HN ) 5.00 3.10 1.00 ! 3763_3D
assign (resid 41 and name HN ) ( resid 48 and name HZ ) 6.00 4.10 1.00 ! 3501_2D newpeak (old intra 135)
assign (resid 41 and name HB1 ) ( resid 48 and name HZ ) 5.00 3.10 1.00 ! 3992_2D
assign (resid 41 and name HB1 ) ( resid 48 and name HE# ) 5.00 3.10 1.01 ! 3506_2D
assign (resid 41 and name HB2 ) ( resid 48 and name HZ ) 5.00 3.10 1.00 ! 3988_2D
assign (resid 41 and name HB2 ) ( resid 48 and name HE# ) 5.00 3.10 1.01 ! 3503_2D
assign (resid 41 and name HB1 ) ( resid 55 and name HZ3 ) 5.00 3.10 1.00 ! 3563_2D
assign (resid 41 and name HB2 ) ( resid 55 and name HZ3 ) 5.00 3.10 1.00 ! 3564_2D
assign (resid 42 and name HG ) ( resid 39 and name HA ) 5.00 3.10 1.00 ! 3770_2D
assign (resid 42 and name HG ) ( resid 39 and name HE21 ) 5.00 3.10 1.00 ! 3718_3D
assign (resid 42 and name HG ) ( resid 39 and name HE21 ) 5.00 3.10 1.00 ! 3771_2D
assign (resid 42 and name HG ) ( resid 39 and name HE22 ) 5.00 3.10 1.00 ! 3580_2D
assign (resid 42 and name HG ) ( resid 39 and name HE22 ) 5.00 3.10 1.00 ! 3716_3D
assign (resid 42 and name HB1 ) ( resid 39 and name HA ) 5.00 3.10 1.00 ! 3769_2D
assign (resid 42 and name HD# ) ( resid 39 and name HA ) 4.45 2.60 1.50 ! 3768_2D ! calib.
assign (resid 42 and name HD# ) ( resid 39 and name HE21 ) 5.00 3.10 0.99 ! 3719_3D
assign (resid 42 and name HD# ) ( resid 39 and name HE22 ) 4.45 2.60 1.50 ! 3581_2D ! calib.
assign (resid 42 and name HD# ) ( resid 39 and name HE22 ) 4.05 2.10 1.50 ! 3717_3D ! calib.
assign (resid 42 and name HD# ) ( resid 40 and name HN ) 5.00 3.10 0.99 ! 3739_3D
assign (resid 42 and name HN ) ( resid 41 and name HN ) 3.00 1.10 0.80 ! 3352_3D ! alpha3
assign (resid 42 and name HD# ) ( resid 41 and name HN ) 5.00 3.10 0.99 ! 3935_3D
assign (resid 42 and name HN ) ( resid 43 and name HN ) 3.00 1.10 1.00 ! 3753_3D ! alpha3
assign (resid 42 and name HD# ) ( resid 48 and name HZ ) 5.00 3.10 0.99 ! 3890_2D ! ancien 11/48
assign (resid 42 and name HD# ) ( resid 48 and name HE# ) 5.00 3.10 1.11 ! 3889_2D ! ancien 11/48
assign (resid 42 and name HD# ) ( resid 55 and name HH2 ) 6.00 4.10 0.99 ! 3986_2D ! retry bc 3889-90
assign (resid 43 and name HN ) ( resid 41 and name HN ) 4.20 2.30 1.00 ! 3755_3D ! alpha3
assign (resid 43 and name HA ) ( resid 44 and name HN ) 3.50 1.60 1.00 ! 4161_2D ! alpha3
assign (resid 43 and name HN ) ( resid 44 and name HN ) 3.00 1.10 1.00 ! 3202_3D ! alpha3
assign (resid 43 and name HB# ) ( resid 44 and name HN ) 5.00 3.10 0.99 ! 3764_3D
assign (resid 43 and name HA ) ( resid 45 and name HN ) 4.50 2.60 1.00 ! 4162_2D ! alpha3
assign (resid 43 and name HN ) ( resid 45 and name HN ) 4.20 2.30 1.00 ! 3312_3D ! alpha3
assign (resid 48 and name HB1 ) ( resid 6 and name HN ) 5.00 3.10 1.00 ! 3896_3D
assign (resid 48 and name HA ) ( resid 49 and name HN ) 2.50 0.60 0.80 ! 1621_3D ! beta2
assign (resid 48 and name HN ) ( resid 49 and name HN ) 4.50 2.60 1.00 ! 3480_3D ! beta2
assign (resid 48 and name HB1 ) ( resid 49 and name HN ) 5.00 3.10 1.00 ! 1629_3D
assign (resid 48 and name HB2 ) ( resid 49 and name HN ) 5.00 3.10 1.00 ! 1628_3D
assign (resid 48 and name HD# ) ( resid 49 and name HN ) 4.05 2.10 1.01 ! 1627_3D
assign (resid 48 and name HD# ) ( resid 49 and name HN ) 4.45 2.60 1.50 ! 3746_2D ! calib.
assign (resid 48 and name HA ) ( resid 55 and name HE3 ) 5.00 3.10 0.99 ! 3922_2D
assign (resid 48 and name HA ) ( resid 55 and name HH2 ) 5.00 3.10 1.00 ! 3923_2D
assign (resid 48 and name HB# ) ( resid 55 and name HE3 ) 4.70 1.80 0.99 ! test
assign (resid 48 and name HD# ) ( resid 55 and name HE3 ) 6.00 4.10 0.99 ! 4246_2D
assign (resid 48 and name HB# ) ( resid 55 and name HE3 ) 4.70 1.80 0.99 ! 3569_2D
assign (resid 48 and name HB# ) ( resid 56 and name HN ) 5.00 3.10 1.00 ! 3849_3D
assign (resid 48 and name HB# ) ( resid 56 and name HN ) 5.00 3.10 1.00 ! 3848_3D
assign (resid 49 and name HA ) ( resid 5 and name HB1 ) 5.00 3.10 1.00 ! 3859_2D
assign (resid 49 and name HA ) ( resid 5 and name HB2 ) 5.00 3.10 1.00 ! 3920_2D
assign (resid 49 and name HA ) ( resid 6 and name HN ) 5.00 3.10 1.00 ! 3583_3D
assign (resid 49 and name HA ) ( resid 6 and name HD## ) 5.00 3.10 0.99 ! 3790_2D
assign (resid 49 and name HA ) ( resid 50 and name HN ) 2.50 0.60 1.00 ! 1396_3D ! beta2
assign (resid 49 and name HB# ) ( resid 50 and name HN ) 5.00 3.10 0.99 ! 1397_3D
assign (resid 49 and name HB# ) ( resid 51 and name HD1# ) 3.70 1.80 0.98 ! 3755_2D
assign (resid 49 and name HA ) ( resid 55 and name HE3 ) 5.00 3.10 0.98 ! 3544_2D
assign (resid 49 and name HA ) ( resid 55 and name HZ2 ) 5.00 3.10 1.00 ! 3801_2D
assign (resid 49 and name HA ) ( resid 55 and name HZ3 ) 5.00 3.10 1.00 ! 3797_2D
assign (resid 49 and name HA ) ( resid 56 and name HG# ) 5.00 3.10 0.99 ! 3858_2D
assign (resid 50 and name HB1 ) ( resid 4 and name HD# ) 5.00 3.10 1.01 ! 3545_2D
assign (resid 50 and name HB1 ) ( resid 4 and name HE# ) 5.00 3.10 1.01 ! 3546_2D
assign (resid 50 and name HB2 ) ( resid 4 and name HD# ) 5.00 3.10 1.01 ! 3547_2D
assign (resid 50 and name HD22 ) ( resid 4 and name HE# ) 5.00 3.10 1.01 ! 4053_2D
assign (resid 50 and name HA ) ( resid 4 and name HN ) 5.00 3.10 1.00 ! 3975_3D ! new peak
assign (resid 50 and name HB# ) ( resid 4 and name HN ) 5.00 3.10 1.00 ! 3976_3D ! new peak
assign (resid 50 and name HN ) ( resid 5 and name HN ) 5.00 3.10 1.00 ! 3866_3D
assign (resid 50 and name HA ) ( resid 49 and name HB# ) 5.00 3.10 0.99 ! 3735_2D
assign (resid 50 and name HA ) ( resid 51 and name HN ) 2.50 0.60 0.50 ! 3611_3D ! beta2
assign (resid 50 and name HA ) ( resid 51 and name HG12 ) 5.00 3.10 1.00 ! 4062_2D
assign (resid 50 and name HA ) ( resid 51 and name HD1# ) 5.00 3.10 0.99 ! 3757_2D
assign (resid 50 and name HB1 ) ( resid 51 and name HN ) 5.00 3.10 1.00 ! 2166_3D
assign (resid 50 and name HB2 ) ( resid 51 and name HN ) 3.70 1.80 0.98 ! 2167_3D
assign (resid 50 and name HD22 ) ( resid 51 and name HN ) 5.00 3.10 1.00 ! 3955_3D
assign (resid 50 and name HA ) ( resid 55 and name HN ) 5.00 3.10 1.00 ! 4103_2D
assign (resid 50 and name HA ) ( resid 55 and name HE1 ) 5.00 3.10 0.99 ! 3602_3D
assign (resid 50 and name HA ) ( resid 55 and name HE3 ) 5.00 3.10 0.99 ! 3857_2D
assign (resid 50 and name HB1 ) ( resid 55 and name HE1 ) 5.00 3.10 0.99 ! 3604_3D
assign (resid 50 and name HB# ) ( resid 55 and name HZ2 ) 5.00 3.10 1.00 ! 3606_2D
assign (resid 50 and name HB2 ) ( resid 55 and name HE1 ) 5.00 3.10 0.99 ! 3603_3D
assign (resid 50 and name HB# ) ( resid 55 and name HE3 ) 5.00 3.10 0.99 ! 3856_2D
assign (resid 50 and name HD21 ) ( resid 55 and name HN ) 5.00 3.10 1.00 ! 4102_2D
assign (resid 50 and name HD22 ) ( resid 55 and name HN ) 5.00 3.10 1.00 ! 4104_2D
assign (resid 50 and name HD21 ) ( resid 55 and name HD1 ) 5.00 3.10 0.99 ! 3774_2D
assign (resid 50 and name HD21 ) ( resid 55 and name HE1 ) 5.00 3.10 0.99 ! 3970_2D
assign (resid 50 and name HD22 ) ( resid 55 and name HD1 ) 5.00 3.10 0.99 ! 4052_2D
assign (resid 50 and name HD22 ) ( resid 55 and name HE1 ) 5.00 3.10 0.99 ! 3954_3D
assign (resid 51 and name HN ) ( resid 50 and name HN ) 4.50 2.60 1.00 ! 3847_3D ! beta2
assign (resid 51 and name HA ) ( resid 53 and name HN ) 5.00 3.10 1.00 ! 1069_3D
assign (resid 51 and name HN ) ( resid 53 and name HN ) 5.00 3.10 1.00 ! 3519_3D
assign (resid 51 and name HG2# ) ( resid 53 and name HN ) 5.00 3.10 0.99 ! 2129_3D
assign (resid 51 and name HG11 ) ( resid 54 and name HN ) 5.00 3.10 1.00 ! 3897_3D
assign (resid 51 and name HG2# ) ( resid 54 and name HN ) 5.00 3.10 0.99 ! 2571_3D
assign (resid 51 and name HN ) ( resid 56 and name HN ) 5.00 3.10 1.00 ! 3607_3D
assign (resid 53 and name HA1 ) ( resid 54 and name HN ) 4.05 2.10 1.75 ! 978_3D ! calib.
assign (resid 53 and name HA2 ) ( resid 54 and name HN ) 4.05 2.10 1.75 ! 977_3D ! calib.
assign (resid 54 and name HA ) ( resid 50 and name HD21 ) 5.00 3.10 1.00 ! 3934_3D
assign (resid 54 and name HA ) ( resid 53 and name HN ) 5.00 3.10 1.00 ! 3800_3D
assign (resid 54 and name HN ) ( resid 53 and name HN ) 3.70 1.80 0.80 ! 991_3D
assign (resid 54 and name HA ) ( resid 55 and name HN ) 2.50 0.60 0.50 ! 3524_3D ! beta3
assign (resid 54 and name HB1 ) ( resid 55 and name HN ) 3.70 1.80 0.80 ! 3526_3D
assign (resid 54 and name HB2 ) ( resid 55 and name HN ) 3.70 1.80 0.80 ! 3525_3D
assign (resid 54 and name HG# ) ( resid 55 and name HN ) 3.70 1.80 1.80 ! 3527_3D
assign (resid 55 and name HE3 ) ( resid 6 and name HN ) 5.00 3.10 0.99 ! 3819_3D
assign (resid 55 and name HZ2 ) ( resid 6 and name HN ) 5.00 3.10 1.00 ! 3903_3D
assign (resid 55 and name HZ3 ) ( resid 6 and name HN ) 5.00 3.10 1.00 ! 3818_3D
assign (resid 55 and name HD1 ) ( resid 15 and name HE# ) 4.70 1.80 1.01 ! 4056_2D
assign (resid 55 and name HE1 ) ( resid 15 and name HD# ) 6.00 4.10 1.11 ! 4164_2D
assign (resid 55 and name HZ2 ) ( resid 15 and name HE# ) 6.00 4.10 1.01 ! 4055_2D
assign (resid 55 and name HB2 ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 3661_2D
assign (resid 55 and name HB2 ) ( resid 24 and name HG12 ) 5.00 3.10 1.00 ! 3720_2D
assign (resid 55 and name HB2 ) ( resid 24 and name HG2# ) 5.00 3.10 0.99 ! 3719_2D
assign (resid 55 and name HA ) ( resid 50 and name HN ) 5.00 3.10 1.00 ! 3871_3D
assign (resid 55 and name HA ) ( resid 50 and name HB1 ) 5.00 3.10 1.00 ! 3925_2D
assign (resid 55 and name HE3 ) ( resid 50 and name HN ) 5.00 3.10 0.99 ! 3957_2D
assign (resid 55 and name HZ3 ) ( resid 50 and name HN ) 5.00 3.10 1.00 ! 3778_3D
assign (resid 55 and name HZ3 ) ( resid 50 and name HN ) 5.00 3.10 1.00 ! 3956_2D
assign (resid 55 and name HN ) ( resid 51 and name HN ) 5.00 3.10 1.00 ! 3605_3D
assign (resid 55 and name HB1 ) ( resid 51 and name HN ) 5.00 3.10 1.00 ! 3609_3D
assign (resid 55 and name HB2 ) ( resid 51 and name HN ) 5.00 3.10 1.00 ! 3912_3D
assign (resid 55 and name HE3 ) ( resid 51 and name HN ) 5.00 3.10 0.99 ! 3913_3D
assign (resid 55 and name HN ) ( resid 54 and name HN ) 4.50 2.60 1.00 ! 3521_3D ! beta3
assign (resid 55 and name HA ) ( resid 56 and name HN ) 2.50 0.60 0.80 ! 1819_3D ! beta3
assign (resid 55 and name HN ) ( resid 56 and name HN ) 4.50 2.60 1.00 ! 3475_3D ! beta3
assign (resid 55 and name HB1 ) ( resid 56 and name HN ) 5.00 3.10 1.00 ! 1836_3D
assign (resid 55 and name HB2 ) ( resid 56 and name HN ) 5.00 3.10 1.00 ! 1837_3D
assign (resid 55 and name HE3 ) ( resid 56 and name HN ) 5.00 3.10 0.99 ! 3779_3D
assign (resid 55 and name HZ3 ) ( resid 56 and name HN ) 5.00 3.10 1.00 ! 3780_3D
assign (resid 56 and name HA ) ( resid 25 and name HN ) 5.00 3.10 1.00 ! 3658_3D
assign (resid 56 and name HA ) ( resid 33 and name HD1# ) 5.00 3.10 0.99 ! 3702_2D
assign (resid 56 and name HA ) ( resid 33 and name HD2# ) 5.00 3.10 0.99 ! 3701_2D
assign (resid 56 and name HB ) ( resid 49 and name HN ) 5.00 3.10 1.00 ! 3961_3D
assign (resid 56 and name HG# ) ( resid 49 and name HN ) 5.00 3.10 0.99 ! 3865_3D
assign (resid 56 and name HG# ) ( resid 51 and name HN ) 5.00 3.10 0.99 ! 3951_2D
assign (resid 56 and name HG# ) ( resid 55 and name HN ) 5.00 3.10 0.99 ! 4092_2D
assign (resid 60 and name HA ) ( resid 61 and name HN ) 3.50 0.60 0.50 ! 1363_3D ! alpha
assign (resid 60 and name HE# ) ( resid 61 and name HN ) 5.00 3.10 0.99 ! 4166_2D
assign (resid 60 and name HB1 ) ( resid 61 and name HN ) 4.35 2.40 1.00 ! 1367_3D ! amb. B2
assign (resid 60 and name HB2 ) ( resid 61 and name HN ) 4.35 2.40 0.98 ! 1366_3D ! amb. B1
assign (resid 60 and name HG1 ) ( resid 61 and name HN ) 5.00 3.10 1.00 ! 1365_3D
assign (resid 60 and name HG2 ) ( resid 61 and name HN ) 5.00 3.10 1.00 ! 1364_3D
assign (resid 60 and name HN ) ( resid 62 and name HN ) 4.20 2.30 1.00 ! 3538_3D ! alpha
assign (resid 60 and name HB1 ) ( resid 62 and name HN ) 5.00 3.10 1.00 ! 3790_3D
assign (resid 60 and name HB2 ) ( resid 62 and name HN ) 5.00 3.10 1.00 ! 3789_3D
assign (resid 60 and name HA ) ( resid 63 and name HB1 ) 5.00 3.10 1.00 ! 3915_2D
assign (resid 60 and name HN ) ( resid 63 and name HN ) 5.00 3.10 1.00 ! 3540_3D
assign (resid 60 and name HB1 ) ( resid 63 and name HN ) 5.00 3.10 1.00 ! 3916_2D
assign (resid 60 and name HB2 ) ( resid 63 and name HN ) 5.00 3.10 1.00 ! 3917_2D
assign (resid 60 and name HG1 ) ( resid 63 and name HN ) 5.00 3.10 1.00 ! 3556_2D
assign (resid 61 and name HA ) ( resid 60 and name HA ) 5.00 3.10 1.00 ! 3911_2D
assign (resid 61 and name HN ) ( resid 60 and name HN ) 3.00 1.10 1.00 ! 1379_3D ! alpha3
assign (resid 61 and name HA ) ( resid 62 and name HN ) 3.50 0.60 0.50 ! 988_3D ! alpha3
assign (resid 61 and name HB# ) ( resid 62 and name HN ) 3.20 0.60 1.50 ! 1342_3D ! calib.
assign (resid 62 and name HA ) ( resid 28 and name HD21 ) 5.00 3.10 1.00 ! 3925_3D
assign (resid 62 and name HA ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3877_2D
assign (resid 62 and name HA ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3928_3D
assign (resid 62 and name HB2 ) ( resid 28 and name HD21 ) 5.00 3.10 1.00 ! 3926_3D
assign (resid 62 and name HB2 ) ( resid 28 and name HN ) 5.00 3.10 1.00 ! 4167_2D
assign (resid 62 and name HB2 ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3876_2D
assign (resid 62 and name HB2 ) ( resid 28 and name HD22 ) 5.00 3.10 1.00 ! 3927_3D
assign (resid 62 and name HB2 ) ( resid 29 and name HB2 ) 5.00 3.10 1.00 ! 3907_2D
assign (resid 62 and name HN ) ( resid 61 and name HN ) 3.70 1.80 0.80 ! 3536_3D
assign (resid 62 and name HB1 ) ( resid 61 and name HN ) 5.00 3.10 1.00 ! 2263_3D
assign (resid 62 and name HB2 ) ( resid 61 and name HN ) 5.00 3.10 1.00 ! 2262_3D
assign (resid 62 and name HA ) ( resid 63 and name HN ) 3.70 1.80 0.80 ! 1368_3D
assign (resid 62 and name HB1 ) ( resid 63 and name HN ) 4.25 2.10 1.50 ! 1370_3D ! calib.
assign (resid 62 and name HB2 ) ( resid 63 and name HN ) 4.25 2.10 1.50 ! 1380_3D ! calib.
assign (resid 63 and name HN ) ( resid 61 and name HN ) 5.00 3.10 1.00 ! 2259_3D
assign (resid 63 and name HN ) ( resid 62 and name HN ) 3.70 1.80 0.80 ! 3484_3D
assign (resid 63 and name HA ) ( resid 64 and name HN ) 5.00 3.10 1.00 ! 1846_3D
assign (resid 63 and name HB1 ) ( resid 64 and name HN ) 5.00 3.10 1.00 ! 1844_3D
assign (resid 63 and name HB2 ) ( resid 64 and name HN ) 5.00 3.10 1.00 ! 1845_3D
assign (resid 64 and name HN ) ( resid 63 and name HN ) 5.00 3.10 1.00 ! 3563_3D
assign (resid 64 and name HA ) ( resid 65 and name HN ) 5.00 3.10 1.00 ! 3560_2D
assign (resid 65 and name HN ) ( resid 64 and name HN ) 5.00 3.10 1.00 ! 4168_2D
assign (resid 66 and name HA ) ( resid 67 and name HN ) 5.00 3.10 1.00 ! 3561_2D
assign (resid 66 and name HB# ) ( resid 67 and name HN ) 5.00 3.10 0.99 ! 3562_2D
! NOE between residues that do display exchange contribution in 15N dispersion experiment
! for these constraints, the parameter SQOFFSET is set to -1.0
assign (resid 6 and name HA ) ( resid 7 and name HN ) 5.00 3.10 1.00 ! 1564_3D
assign (resid 6 and name HG ) ( resid 7 and name HN ) 5.00 3.10 1.00 ! 2234_3D
assign (resid 6 and name HN ) ( resid 7 and name HN ) 5.00 3.10 1.00 ! 3589_3D
assign (resid 6 and name HB# ) ( resid 7 and name HN ) 5.00 3.10 0.99 ! 3588_3D
assign (resid 6 and name HD1# ) ( resid 7 and name HN ) 5.00 3.10 0.99 ! 2301_3D
assign (resid 6 and name HD2# ) ( resid 7 and name HN ) 5.00 3.10 0.99 ! 1959_3D
assign (resid 6 and name HD## ) ( resid 11 and name HN ) 5.00 3.10 1.00 ! 3917_3D ! ancien 23/11
assign (resid 7 and name HA ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 3596_3D
assign (resid 7 and name HB1 ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 3595_3D
assign (resid 7 and name HB2 ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 3594_3D
assign (resid 7 and name HN ) ( resid 45 and name HN ) 5.00 3.10 1.00 ! 3769_3D
assign (resid 7 and name HD# ) ( resid 45 and name HN ) 5.00 3.10 1.01 ! 3514_2D ! double
assign (resid 7 and name HE# ) ( resid 45 and name HN ) 5.00 3.10 1.01 ! 3513_2D ! double
assign (resid 7 and name HA ) ( resid 47 and name HE ) 5.00 3.10 2.00 ! 3965_2D
assign (resid 7 and name HA ) ( resid 48 and name HN ) 5.00 3.10 1.00 ! 3853_2D
assign (resid 7 and name HB1 ) ( resid 48 and name HN ) 5.00 3.10 1.00 ! 3911_3D
assign (resid 7 and name HD# ) ( resid 48 and name HN ) 5.00 3.10 1.01 ! 3773_3D
assign (resid 7 and name HA ) ( resid 48 and name HD# ) 5.00 3.10 3.00 ! 4058_2D ! non used from 62
assign (resid 8 and name HA2 ) ( resid 7 and name HD# ) 5.00 3.10 1.01 ! 3827_2D
assign (resid 8 and name HA1 ) ( resid 9 and name HN ) 5.00 3.10 1.00 ! 4223_2D
assign (resid 8 and name HA# ) ( resid 42 and name HD# ) 5.00 3.10 0.99 ! 3885_2D ! 11 -> intra42
assign ((resid 8 and name HA# ) or (resid 59 and name HB# ))
( resid 48 and name HD# ) 6.00 3.10 1.01 ! 3820_2D ! add 1 ang. BK
assign ((resid 8 and name HA# ) or (resid 59 and name HB# ))
( resid 48 and name HE# ) 6.00 3.10 1.01 ! 3821_2D BK + 1 ang.
assign ((resid 8 and name HA# ) or (resid 59 and name HB# ))
( resid 48 and name HZ ) 6.00 3.10 1.00 ! 3822_2D ! Cf 3875_2D BK
assign (resid 9 and name HN ) ( resid 10 and name HN ) 5.00 3.10 1.00 ! 3948_2D
assign (resid 9 and name HA ) ( resid 10 and name HN ) 5.00 3.10 1.00 ! 4224_3D
assign (resid 10 and name HA ) ( resid 11 and name HN ) 5.00 3.10 1.00 ! 3945_2D
assign (resid 10 and name HB# ) ( resid 11 and name HN ) 5.00 3.10 0.99 ! 3946_2D
assign (resid 10 and name HN ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 3597_3D
assign (resid 10 and name HA ) ( resid 11 and name HN ) 5.00 3.10 1.00 ! 3879_3D
assign (resid 10 and name HN ) ( resid 11 and name HN ) 5.00 3.10 1.00 ! 3885_3D
assign (resid 10 and name HA ) ( resid 12 and name HN ) 5.00 3.10 1.00 ! 4096_2D
assign (resid 10 and name HG# ) ( resid 12 and name HN ) 5.00 3.10 1.00 ! 4222_2D
assign (resid 11 and name HA ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 3838_3D
assign (resid 11 and name HB# ) ( resid 8 and name HN ) 5.00 3.10 0.99 ! 3887_3D
assign (resid 11 and name HG# ) ( resid 8 and name HN ) 5.00 3.10 0.99 ! 3888_3D
assign (resid 11 and name HA ) ( resid 12 and name HN ) 5.00 3.10 1.00 ! 3858_3D
assign (resid 11 and name HD# ) ( resid 12 and name HN ) 5.00 3.10 0.99 ! 3916_3D
assign (resid 11 and name HG# ) ( resid 12 and name HN ) 5.00 3.10 0.99 ! 3859_3D
assign (resid 11 and name HB# ) ( resid 13 and name HE21 ) 5.00 3.10 0.99 ! 3861_3D
assign (resid 11 and name HB# ) ( resid 13 and name HE22 ) 5.00 3.10 0.99 ! 3860_3D
assign (resid 11 and name HA ) ( resid 14 and name HN ) 5.00 3.10 1.00 ! 3850_3D
assign (resid 12 and name HN ) ( resid 11 and name HN ) 5.00 3.10 1.00 ! 3886_3D
assign (resid 12 and name HA ) ( resid 13 and name HN ) 5.00 3.10 1.00 ! 3624_3D
assign (resid 13 and name HE21 ) ( resid 12 and name HN ) 5.00 3.10 1.00 ! 3842_3D
assign (resid 13 and name HB1 ) ( resid 14 and name HN ) 3.70 1.80 0.80 ! 1674_3D
assign (resid 13 and name HB2 ) ( resid 14 and name HN ) 2.50 0.60 1.70 ! 1675_3D
assign (resid 13 and name HG1 ) ( resid 14 and name HN ) 5.00 3.10 1.00 ! 1676_3D
assign (resid 13 and name HG2 ) ( resid 14 and name HN ) 5.00 3.10 1.00 ! 1677_3D
assign (resid 15 and name HD# ) ( resid 12 and name HN ) 6.00 4.10 1.01 ! 3841_3D
assign (resid 15 and name HB1 ) ( resid 17 and name HN ) 5.00 3.10 1.00 ! 2530_3D
assign (resid 15 and name HB2 ) ( resid 17 and name HN ) 5.00 3.10 1.00 ! 2529_3D
assign (resid 15 and name HD# ) ( resid 17 and name HN ) 5.00 3.10 1.01 ! 3621_3D
assign (resid 16 and name HA ) ( resid 17 and name HN ) 3.50 1.80 0.80 ! 983_3D
assign (resid 16 and name HB1 ) ( resid 17 and name HN ) 5.00 3.10 1.00 ! 2532_3D
assign (resid 16 and name HB2 ) ( resid 17 and name HN ) 5.00 3.10 1.00 ! 2531_3D
assign (resid 17 and name HA ) ( resid 18 and name HB1 ) 5.00 3.10 1.00 ! 4073_2D
assign (resid 17 and name HA ) ( resid 18 and name HB2 ) 5.00 3.10 1.00 ! 4085_2D
assign (resid 17 and name HA ) ( resid 18 and name HD1 ) 3.75 1.80 1.50 ! 3780_2D ! calib.
assign (resid 17 and name HA ) ( resid 18 and name HD2 ) 3.75 1.80 1.50 ! 3781_2D ! calib.
assign (resid 17 and name HB1 ) ( resid 18 and name HD1 ) 5.00 3.10 1.00 ! 3786_2D
assign (resid 17 and name HB1 ) ( resid 18 and name HD2 ) 5.00 3.10 1.00 ! 3787_2D
assign (resid 17 and name HG# ) ( resid 18 and name HD1 ) 5.00 3.10 0.99 ! 3789_2D
assign (resid 17 and name HG# ) ( resid 18 and name HD2 ) 5.00 3.10 0.99 ! 3788_2D
assign (resid 17 and name HZ# ) ( resid 21 and name OD1 ) 6.00 4.10 0.99 ! test_HH ! liaison H 17/21 mvt
assign (resid 17 and name HB# ) ( resid 22 and name HD1# ) 6.00 4.10 0.99 ! 3669_2D
assign (resid 17 and name HB# ) ( resid 22 and name HD2# ) 6.00 4.10 0.99 ! 3672_2D
assign (resid 17 and name HD1 ) ( resid 22 and name HD## ) 5.00 3.10 0.99 ! 3686_2D ! ancien 6/22
assign (resid 17 and name HD2 ) ( resid 22 and name HD## ) 5.00 3.10 0.99 ! 3687_2D ! ancien 6/22
assign (resid 17 and name HE# ) ( resid 22 and name HD2# ) 5.00 3.10 0.99 ! 4021_2D
assign (resid 17 and name HE# ) ( resid 22 and name HD1# ) 5.00 3.10 0.99 ! 3673_2D
assign (resid 17 and name HE# ) ( resid 22 and name HD2# ) 5.00 3.10 0.99 ! 3674_2D
assign (resid 18 and name HD1 ) ( resid 17 and name HN ) 5.00 3.10 1.00 ! 3101_3D
assign (resid 18 and name HD2 ) ( resid 17 and name HN ) 5.00 3.10 1.00 ! 3102_3D
assign (resid 18 and name HA ) ( resid 19 and name HN ) 5.00 3.10 1.00 ! 1976_3D
assign (resid 18 and name HB1 ) ( resid 19 and name HN ) 5.00 3.10 1.00 ! 1980_3D
assign (resid 18 and name HB2 ) ( resid 19 and name HN ) 5.00 3.10 1.00 ! 1981_3D
assign (resid 18 and name HG2 ) ( resid 19 and name HN ) 5.00 3.10 1.00 ! 1979_3D
assign (resid 18 and name HB1 ) ( resid 20 and name HN ) 5.00 3.10 1.00 ! 1984_3D
assign (resid 18 and name HB2 ) ( resid 20 and name HN ) 5.00 3.10 1.00 ! 1985_3D
assign (resid 18 and name HG2 ) ( resid 20 and name HN ) 5.00 3.10 1.00 ! 1983_3D
assign (resid 18 and name HB1 ) ( resid 21 and name HN ) 3.70 1.80 0.98 ! 3639_3D
assign (resid 18 and name HB2 ) ( resid 21 and name HN ) 5.00 3.10 1.00 ! 3638_3D
assign (resid 18 and name HG1 ) ( resid 21 and name HN ) 5.00 3.10 1.00 ! 3970_3D
assign (resid 18 and name HD1 ) ( resid 21 and name HB1 ) 5.00 3.10 1.00 ! 3782_2D
assign (resid 18 and name HD1 ) ( resid 21 and name HB2 ) 5.00 3.10 1.00 ! 3784_2D
assign (resid 18 and name HD2 ) ( resid 21 and name HB1 ) 5.00 3.10 1.00 ! 3783_2D
assign (resid 18 and name HD2 ) ( resid 21 and name HB2 ) 5.00 3.10 1.00 ! 3785_2D
assign (resid 18 and name HG2 ) ( resid 21 and name HN ) 3.70 1.80 0.80 ! 3640_3D
assign (resid 19 and name HA ) ( resid 15 and name HD# ) 6.00 4.10 1.01 ! 3567_2D
assign (resid 19 and name HA ) ( resid 15 and name HE# ) 6.00 4.10 1.01 ! 3568_2D
assign (resid 19 and name HG ) ( resid 15 and name HB1 ) 6.00 4.10 1.00 ! 3973_2D
assign (resid 19 and name HB2 ) ( resid 15 and name HB1 ) 6.00 4.10 1.00 ! 3974_2D
assign (resid 19 and name HA ) ( resid 20 and name HN ) 5.00 3.10 1.00 ! 1839_3D
assign (resid 19 and name HG ) ( resid 20 and name HN ) 5.00 3.10 1.00 ! 1982_3D
assign (resid 19 and name HN ) ( resid 20 and name HN ) 5.00 3.10 1.00 ! 3654_3D
assign (resid 19 and name HB1 ) ( resid 20 and name HN ) 5.00 3.10 1.00 ! 1842_3D
assign (resid 19 and name HB2 ) ( resid 20 and name HN ) 5.00 3.10 1.00 ! 1843_3D
assign (resid 19 and name HD1# ) ( resid 20 and name HN ) 5.00 3.10 0.99 ! 1840_3D
assign (resid 19 and name HD2# ) ( resid 20 and name HN ) 5.00 3.10 0.99 ! 1841_3D
assign (resid 19 and name HA ) ( resid 21 and name HN ) 3.70 1.80 1.50 ! 3637_3D ! calib.
assign (resid 19 and name HB# ) ( resid 21 and name HN ) 3.70 1.80 1.50 ! 3643_3D ! calib.
assign (resid 19 and name HD1# ) ( resid 21 and name HN ) 6.00 4.10 0.99 ! 3641_3D
assign (resid 19 and name HD2# ) ( resid 21 and name HN ) 6.00 4.10 0.99 ! 3642_3D
assign (resid 19 and name HA ) ( resid 22 and name HN ) 4.45 2.60 1.50 ! 2904_3D ! calib.
assign (resid 19 and name HA ) ( resid 22 and name HD1# ) 5.00 3.10 0.99 ! 3681_2D
assign (resid 19 and name HG ) ( resid 22 and name HD1# ) 4.70 1.80 0.98 ! 3975_2D
assign (resid 19 and name HG ) ( resid 22 and name HD2# ) 4.70 1.80 0.98 ! 3976_2D
assign (resid 19 and name HD1# ) ( resid 22 and name HN ) 6.00 4.10 0.99 ! 3648_3D
assign (resid 19 and name HD1# ) ( resid 22 and name HD1# ) 6.00 4.10 1.01 ! 3683_2D
assign (resid 19 and name HD2# ) ( resid 22 and name HN ) 6.00 4.10 0.99 ! 3649_3D
assign (resid 19 and name HD2# ) ( resid 22 and name HD1# ) 6.00 4.10 1.01 ! 3682_2D
assign (resid 19 and name HD2# ) ( resid 23 and name HD1# ) 6.00 4.10 1.01 ! 3727_2D
assign (resid 19 and name HA ) ( resid 24 and name HD1# ) 6.00 4.10 0.99 ! 3828_2D
assign (resid 19 and name HD1# ) ( resid 24 and name HD1# ) 6.00 4.10 1.01 ! 3726_2D
assign (resid 19 and name HD## ) ( resid 41 and name HN ) 6.00 4.10 0.99 ! 3952_3D
assign (resid 19 and name HD1# ) ( resid 42 and name HN ) 6.00 4.10 0.99 ! 3950_3D
assign (resid 19 and name HD2# ) ( resid 42 and name HN ) 6.00 4.10 0.99 ! 3951_3D
assign (resid 19 and name HD1# ) ( resid 48 and name HZ ) 6.00 4.10 0.99 ! 3630_2D
assign (resid 19 and name HD1# ) ( resid 48 and name HD# ) 6.00 4.10 1.11 ! 3627_2D
assign (resid 19 and name HD2# ) ( resid 48 and name HZ ) 6.00 4.10 0.99 ! 3629_2D
assign (resid 19 and name HD1# ) ( resid 55 and name HZ3 ) 6.00 4.10 0.99 ! 3625_2D
assign (resid 19 and name HD2# ) ( resid 55 and name HZ3 ) 6.00 4.10 0.99 ! 3626_2D
assign (resid 20 and name HN ) ( resid 16 and name HD2# ) 6.00 4.10 1.00 ! 3837_3D
assign (resid 20 and name HA ) ( resid 21 and name HN ) 5.00 3.10 1.00 ! 3636_3D
assign (resid 20 and name HA ) ( resid 22 and name HN ) 5.00 3.10 1.00 ! 3914_3D
assign (resid 21 and name HB# ) ( resid 17 and name HB1 ) 6.00 4.10 1.00 ! 4089_2D ! mvt <- (run 78)
assign (resid 21 and name HB# ) ( resid 17 and name HB2 ) 6.00 4.10 1.00 ! 4088_2D ! mvt <- (run 78)
assign (resid 21 and name HB# ) ( resid 17 and name HD1 ) 6.00 4.10 1.00 ! 4087_2D ! mvt <- (run 78)
assign (resid 21 and name HB# ) ( resid 17 and name HD2 ) 6.00 4.10 1.00 ! 4086_2D ! mvt <- (run 78)
assign (resid 21 and name HB# ) ( resid 17 and name HG# ) 6.00 4.10 0.99 ! 4090_2D ! mvt <- (run 78)
assign (resid 21 and name HN ) ( resid 19 and name HN ) 5.00 3.10 1.00 ! 3652_3D
assign (resid 21 and name HB1 ) ( resid 19 and name HN ) 5.00 3.10 1.00 ! 2264_3D
assign (resid 21 and name HB2 ) ( resid 19 and name HN ) 5.00 3.10 1.00 ! 2265_3D
assign (resid 22 and name HD1# ) ( resid 17 and name HN ) 5.00 3.10 0.99 ! 2534_3D
assign (resid 22 and name HD2# ) ( resid 17 and name HN ) 5.00 3.10 0.99 ! 2533_3D
assign (resid 23 and name HD1# ) ( resid 19 and name HD1# ) 6.00 4.10 1.01 ! 3635_2D
assign (resid 23 and name HD2# ) ( resid 19 and name HD2# ) 6.00 4.10 1.01 ! 3636_2D
assign (resid 26 and name HA ) ( resid 27 and name HN ) 3.50 1.60 1.00 ! 975_3D
assign (resid 26 and name HA ) ( resid 27 and name HG2# ) 4.05 2.10 1.75 ! 3866_2D ! calib.
assign (resid 26 and name HN ) ( resid 27 and name HN ) 5.00 3.10 1.00 ! 2111_3D
assign (resid 26 and name HB1 ) ( resid 27 and name HN ) 5.00 3.10 1.00 ! 2113_3D
assign (resid 26 and name HB2 ) ( resid 27 and name HN ) 5.00 3.10 1.00 ! 2112_3D
assign (resid 26 and name HA ) ( resid 58 and name HA ) 5.00 3.10 2.00 ! 3831_2D
assign (resid 26 and name HA ) ( resid 59 and name HN ) 4.41 2.60 1.50 ! 2037_3D ! calib82
assign (resid 26 and name HN ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 2032_3D
assign (resid 26 and name HB1 ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 2050_3D
assign (resid 26 and name HB1 ) ( resid 59 and name HB1 ) 5.00 3.10 1.00 ! 3902_2D
assign (resid 26 and name HB2 ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 2048_3D
assign (resid 26 and name HB2 ) ( resid 59 and name HB1 ) 5.00 3.10 1.00 ! 3528_2D
assign (resid 27 and name HA ) ( resid 28 and name HN ) 3.70 1.80 0.80 ! 3564_3D
assign (resid 27 and name HB ) ( resid 28 and name HN ) 5.00 3.10 1.00 ! 2179_3D
assign (resid 27 and name HD1# ) ( resid 28 and name HN ) 5.00 3.10 0.99 ! 2180_3D
assign (resid 27 and name HG11 ) ( resid 28 and name HN ) 5.00 3.10 1.00 ! 2177_3D
assign (resid 27 and name HG12 ) ( resid 28 and name HN ) 5.00 3.10 1.00 ! 2178_3D
assign (resid 27 and name HG2# ) ( resid 28 and name HN ) 2.50 0.60 1.11 ! 2181_3D
assign (resid 27 and name HG2# ) ( resid 28 and name HD21 ) 5.00 3.10 0.99 ! 3687_3D
assign (resid 27 and name HG2# ) ( resid 28 and name HD22 ) 5.00 3.10 0.99 ! 3582_2D
assign (resid 27 and name HA ) ( resid 29 and name HN ) 3.70 1.80 1.80 ! 3840_3D
assign (resid 27 and name HB ) ( resid 29 and name HN ) 5.00 3.10 1.00 ! 3890_3D
assign (resid 27 and name HD1# ) ( resid 29 and name HN ) 5.00 3.10 0.99 ! 2733_3D
assign (resid 27 and name HG11 ) ( resid 29 and name HN ) 5.00 3.10 1.00 ! 2815_3D
assign (resid 27 and name HG12 ) ( resid 29 and name HN ) 5.00 3.10 1.00 ! 2816_3D
assign (resid 27 and name HG2# ) ( resid 29 and name HN ) 5.00 3.10 0.99 ! 3672_3D
assign (resid 27 and name HN ) ( resid 30 and name HN ) 5.00 3.10 1.00 ! 3565_3D
assign (resid 27 and name HD1# ) ( resid 30 and name HE21 ) 5.00 3.10 0.99 ! 3829_3D
assign (resid 27 and name HD1# ) ( resid 30 and name HE22 ) 5.00 3.10 0.99 ! 3828_3D
assign (resid 27 and name HG11 ) ( resid 30 and name HN ) 5.00 3.10 1.50 ! 3909_3D
assign (resid 27 and name HG11 ) ( resid 30 and name HE21 ) 5.00 3.10 1.00 ! 3904_3D
assign (resid 27 and name HG12 ) ( resid 30 and name HN ) 4.45 2.60 2.00 ! 3908_3D
assign (resid 27 and name HG12 ) ( resid 30 and name HE21 ) 5.00 3.10 1.00 ! 3905_3D
assign (resid 27 and name HG2# ) ( resid 30 and name HN ) 5.00 3.10 0.99 ! 3910_3D
assign (resid 27 and name HD1# ) ( resid 49 and name HD2 ) 5.00 3.10 0.99 ! 3847_2D
assign (resid 27 and name HA ) ( resid 56 and name HG# ) 3.70 1.80 1.80 ! 3651_2D
assign (resid 27 and name HB ) ( resid 57 and name HN ) 5.00 3.10 1.00 ! 3786_3D
assign (resid 27 and name HB ) ( resid 58 and name HD# ) 6.00 4.10 0.99 ! 4110_2D
assign (resid 27 and name HB ) ( resid 59 and name HN ) 6.00 4.10 1.00 ! 3962_3D ! look spectra
assign (resid 27 and name HG12 ) ( resid 59 and name HN ) 6.00 4.10 1.00 ! 3963_3D ! look spectra
assign (resid 27 and name HG2# ) ( resid 59 and name HN ) 6.00 4.10 0.99 ! 3784_3D ! look spectra
assign (resid 28 and name HA ) ( resid 27 and name HA ) 5.00 3.10 1.00 ! 3904_2D
assign (resid 28 and name HN ) ( resid 27 and name HN ) 4.01 2.10 2.00 ! 2110_3D ! calib82
assign (resid 28 and name HB1 ) ( resid 27 and name HG2# ) 4.45 2.60 1.50 ! 3692_2D ! calib.
assign (resid 28 and name HB2 ) ( resid 27 and name HG2# ) 4.45 2.60 1.50 ! 3691_2D ! calib.
assign (resid 29 and name HN ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 3542_3D
assign (resid 33 and name HD1# ) ( resid 27 and name HN ) 5.00 3.10 0.99 ! 3663_3D
assign (resid 33 and name HD1# ) ( resid 57 and name HN ) 5.00 3.10 0.99 ! 3667_3D
assign (resid 33 and name HD2# ) ( resid 57 and name HN ) 5.00 3.10 0.99 ! 3668_3D
assign (resid 33 and name HD1# ) ( resid 58 and name HN ) 5.00 3.10 0.99 ! 2092_3D
assign (resid 33 and name HD2# ) ( resid 58 and name HN ) 5.00 3.10 0.99 ! 2093_3D
assign (resid 33 and name HD1# ) ( resid 58 and name HH# ) 5.00 3.10 1.01 ! 3750_2D
assign (resid 33 and name HD2# ) ( resid 58 and name HH# ) 5.00 3.10 1.01 ! 3751_2D
assign (resid 33 and name HD1# ) ( resid 59 and name HN ) 5.00 3.10 0.99 ! 3405_3D
assign (resid 33 and name HD2# ) ( resid 59 and name HN ) 5.00 3.10 0.99 ! 3404_3D
assign (resid 35 and name HG# )
(( resid 33 and name HD1# ) or (resid 19 and name HD1# )) 5.00 3.10 0.99 ! 4024_2D ! ancien 12/19
assign (resid 35 and name HG# )
(( resid 33 and name HD2# ) or (resid 19 and name HD2# )) 5.00 3.10 0.99 ! 4025_2D ! ancien 12/19
assign (resid 38 and name HA )
((resid 33 and name HD2# ) or (resid 19 and name HD2# )) 5.00 3.10 2.00 ! 4066_2D
assign (resid 38 and name HE# )
((resid 33 and name HD1# ) or (resid 19 and name HD1# )) 5.00 3.10 1.01 ! 4040_2D ! ancien 12/19
assign (resid 38 and name HG# )
((resid 33 and name HD1# ) or (resid 19 and name HD1# )) 5.00 3.10 1.01 ! 4029_2D ! ancien 38/19
assign (resid 38 and name HG# )
((resid 33 and name HD2# ) or (resid 19 and name HD2# )) 5.00 3.10 1.01 ! 4030_2D ! ancien 38/19
assign ((resid 38 and name HB# ) or (resid 35 and name HB# ))
((resid 33 and name HD1# ) or (resid 19 and name HD1# )) 5.00 3.10 0.99 ! 4042_2D ! ancien 12/19
assign ((resid 38 and name HB# ) or (resid 35 and name HB# ))
((resid 33 and name HD2# ) or (resid 19 and name HD2# )) 5.00 3.10 0.99 ! 4068_2D ! ancien 12/19
assign ((resid 38 and name HD# ) or (resid 58 and name HB# ))
((resid 33 and name HD1# ) or (resid 19 and name HD1# )) 4.05 2.10 1.75 ! 4022_2D ! ancien 38/19 calib.
assign ((resid 38 and name HD# ) or (resid 58 and name HB# ))
((resid 33 and name HD2# ) or (resid 19 and name HD2# )) 4.05 2.10 1.75 ! 4023_2D ! ancien 38/19 calib.
assign (resid 39 and name HB# ) ( resid 43 and name HN ) 5.00 3.10 0.99 ! 3749_3D
assign (resid 39 and name HE22 ) ( resid 43 and name HN ) 5.00 3.10 1.00 ! 3752_3D
assign (resid 40 and name HA ) ( resid 43 and name HB# ) 4.05 2.10 1.50 ! 3937_2D ! calib.
assign (resid 41 and name HA ) ( resid 47 and name HB# ) 6.00 4.10 1.00 ! 3772_2D ! retry bc 40-48
assign (resid 42 and name HD# ) ( resid 19 and name HD1# ) 3.75 2.10 1.50 ! 3724_2D ! calib.
assign (resid 42 and name HD# ) ( resid 19 and name HD2# ) 3.75 2.10 1.50 ! 3725_2D ! calib.
assign (resid 42 and name HA ) ( resid 43 and name HN ) 3.50 1.80 0.80 ! 2182_3D
assign (resid 42 and name HG ) ( resid 43 and name HN ) 5.00 3.10 1.00 ! 2170_3D
assign (resid 42 and name HB1 ) ( resid 43 and name HN ) 5.00 3.10 1.00 ! 2169_3D
assign (resid 42 and name HB2 ) ( resid 43 and name HN ) 5.00 3.10 1.00 ! 3748_3D
assign (resid 42 and name HD# ) ( resid 43 and name HN ) 5.00 3.10 0.99 ! 2171_3D
assign (resid 43 and name HA ) ( resid 39 and name HE22 ) 5.00 3.10 1.00 ! 3750_3D
assign (resid 43 and name HB# ) ( resid 39 and name HE22 ) 5.00 3.10 0.99 ! 3741_3D
assign (resid 43 and name HB# ) ( resid 40 and name HN ) 5.00 3.10 0.99 ! 3740_3D
assign (resid 43 and name HB# ) ( resid 45 and name HN ) 5.00 3.10 0.99 ! 3765_3D
assign (resid 44 and name HA ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 4244_2D
assign (resid 44 and name HB# ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 4235_2D
assign (resid 44 and name HD2 ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 4236_2D
assign (resid 44 and name HD1 ) ( resid 8 and name HN ) 5.00 3.10 1.00 ! 4237_2D
assign (resid 44 and name HA ) ( resid 9 and name HN ) 5.00 3.10 1.00 ! 4245_2D
assign (resid 44 and name HD1 ) ( resid 43 and name HN ) 5.00 3.10 1.00 ! 3557_2D SUPP BK
assign (resid 44 and name HA ) ( resid 45 and name HN ) 5.00 3.10 1.00 ! 3768_3D
assign (resid 44 and name HB# ) ( resid 45 and name HN ) 5.00 3.10 0.99 ! 3766_3D SUPP BK
assign (resid 44 and name HG# ) ( resid 45 and name HN ) 5.00 3.10 0.99 ! 3767_3D SUPP BK
assign (resid 45 and name HA ) ( resid 7 and name HE# ) 6.00 4.10 1.01 ! 3611_2D ! mvt ?
assign (resid 45 and name HG2 ) ( resid 7 and name HD# ) 6.00 4.10 1.01 ! 3962_2D ! mvt ?
assign (resid 45 and name HB1 ) ( resid 7 and name HE# ) 4.70 2.80 1.01 ! 3612_2D ! mvt ?
assign (resid 45 and name HB2 ) ( resid 7 and name HE# ) 6.00 4.10 0.99 ! 3620_2D ! mvt ?
assign (resid 45 and name HD1 ) ( resid 7 and name HE# ) 6.00 4.10 0.99 ! 3616_2D ! mvt ?
assign (resid 45 and name HG1 ) ( resid 7 and name HE# ) 6.00 4.10 0.99 ! 3615_2D ! mvt ?
assign (resid 45 and name HG2 ) ( resid 7 and name HE# ) 6.00 4.10 0.99 ! 3617_2D ! mvt ?
assign (resid 45 and name HN ) ( resid 44 and name HN ) 4.01 2.10 1.75 ! 3771_3D ! calib82 SUPP BK
assign (resid 45 and name HG1 ) ( resid 46 and name HN ) 5.00 3.10 1.00 ! 3853_3D
assign (resid 45 and name HG2 ) ( resid 46 and name HE21 ) 5.00 3.10 1.00 ! 3863_3D
assign (resid 45 and name HD2 ) ( resid 48 and name HZ ) 5.00 3.10 1.00 ! 3990_2D ! ancien 38/48
assign (resid 45 and name HD2 ) ( resid 48 and name HD# ) 5.00 3.10 1.11 ! 3888_2D ! ancien 11/48
assign (resid 45 and name HD1 ) ( resid 48 and name HD# ) 5.00 3.10 1.11 ! 3888_2Dbis ! ancien 11/48
assign (resid 46 and name HN ) ( resid 45 and name HN ) 5.00 3.10 1.00 ! 3851_3D
assign (resid 46 and name HA ) ( resid 47 and name HN ) 5.00 3.10 1.00 ! 3852_3D
assign (resid 47 and name HE ) ( resid 7 and name HD# ) 5.00 3.10 1.01 ! 3960_2D
assign (resid 47 and name HE ) ( resid 7 and name HE# ) 5.00 3.10 1.01 ! 3961_2D
assign (resid 47 and name HH2# ) ( resid 46 and name HE21 ) 5.00 3.10 0.99 ! 3809_3D
assign (resid 47 and name HH2# ) ( resid 46 and name HE22 ) 5.00 3.10 0.99 ! 3810_3D
assign (resid 47 and name HE ) ( resid 48 and name HN ) 5.00 3.10 1.00 ! 3932_3D
assign (resid 47 and name HE ) ( resid 48 and name HN ) 5.00 3.10 1.00 ! 3959_2D
assign (resid 48 and name HD# ) ( resid 19 and name HD2# ) 4.70 1.80 1.21 ! 4050_2D
assign (resid 48 and name HN ) ( resid 47 and name HN ) 5.00 3.10 1.00 ! 3920_3D
assign (resid 48 and name HD# ) ( resid 57 and name HN ) 5.00 3.10 1.01 ! 3748_2D
assign (resid 48 and name HZ ) ( resid 58 and name HN ) 5.00 3.10 1.00 ! 3849_2D
assign (resid 48 and name HZ ) ( resid 58 and name HH# ) 5.00 3.10 0.99 ! 3809_2D
assign (resid 48 and name HD# ) ( resid 58 and name HN ) 5.00 3.10 1.01 ! 3850_2D
assign (resid 48 and name HZ ) ( resid 59 and name HB2 ) 6.00 4.10 1.00 ! 3875_2D
assign (resid 49 and name HN ) ( resid 57 and name HN ) 5.00 3.10 1.00 ! 3867_3D
assign (resid 51 and name HA ) ( resid 52 and name HA ) 5.00 3.10 1.00 ! 3913_2D
assign (resid 51 and name HA ) ( resid 52 and name HN ) 4.01 2.10 1.75 ! 1068_3D ! calib82
assign (resid 51 and name HB ) ( resid 52 and name HN ) 5.00 3.10 1.00 ! 4163_2D
assign (resid 51 and name HD1# ) ( resid 52 and name HN ) 5.00 3.10 0.99 ! 2123_3D
assign (resid 51 and name HG11 ) ( resid 52 and name HN ) 5.00 3.10 1.00 ! 2121_3D
assign (resid 51 and name HG12 ) ( resid 52 and name HN ) 5.00 3.10 1.00 ! 2120_3D
assign (resid 51 and name HG2# ) ( resid 52 and name HN ) 5.00 3.10 0.99 ! 2122_3D
assign (resid 52 and name HA ) ( resid 51 and name HG2# ) 4.45 2.60 1.50 ! 3952_2D ! calib.
assign (resid 52 and name HB1 ) ( resid 51 and name HG2# ) 5.00 3.10 0.99 ! 3927_2D
assign (resid 52 and name HA ) ( resid 53 and name HN ) 3.70 1.80 0.80 ! 979_3D
assign (resid 52 and name HN ) ( resid 53 and name HN ) 5.00 3.10 1.00 ! 1344_3D
assign (resid 52 and name HB1 ) ( resid 53 and name HN ) 5.00 3.10 1.00 ! 2125_3D
assign (resid 52 and name HB2 ) ( resid 53 and name HN ) 5.00 3.10 1.00 ! 2126_3D
assign (resid 52 and name HD1 ) ( resid 53 and name HN ) 5.00 3.10 1.00 ! 2495_3D
assign (resid 52 and name HG# ) ( resid 53 and name HN ) 5.00 3.10 0.99 ! 2127_3D
assign (resid 52 and name HA ) ( resid 54 and name HN ) 5.00 3.10 1.00 ! 3781_3D
assign (resid 53 and name HA1 ) ( resid 52 and name HA ) 5.0 3.1 1.0 ! 3914_2D
assign (resid 53 and name HA2 ) ( resid 52 and name HA ) 5.0 3.1 1.0 ! 3912_2D
assign (resid 55 and name HE3 ) ( resid 57 and name HN ) 5.00 3.10 0.99 ! 3919_2D
assign (resid 56 and name HA ) ( resid 27 and name HD1# ) 5.00 3.10 0.99 ! 3695_2D
assign (resid 56 and name HA ) ( resid 27 and name HG12 ) 5.00 3.10 1.00 ! 3694_2D
assign (resid 56 and name HA ) ( resid 27 and name HG2# ) 5.00 3.10 0.99 ! 3693_2D
assign (resid 56 and name HB ) ( resid 27 and name HA ) 5.00 3.10 1.00 ! 4113_2D
assign (resid 56 and name HB ) ( resid 27 and name HD1# ) 5.00 3.10 0.99 ! 3697_2D
assign (resid 56 and name HB ) ( resid 27 and name HG2# ) 5.00 3.10 0.99 ! 3696_2D
assign (resid 56 and name HG# ) ( resid 27 and name HN ) 5.00 3.10 0.99 ! 3801_3D
assign (resid 56 and name HG# ) ( resid 27 and name HD1# ) 4.05 2.10 1.75 ! 3700_2D ! calib.
assign (resid 56 and name HA ) ( resid 57 and name HN ) 2.50 0.60 1.00 ! 1404_3D ! beta3
assign (resid 56 and name HB ) ( resid 57 and name HN ) 5.00 3.10 1.00 ! 3477_3D
assign (resid 56 and name HG# ) ( resid 57 and name HN ) 5.00 3.10 0.99 ! 1401_3D
assign (resid 57 and name HN ) ( resid 27 and name HN ) 5.00 3.10 1.00 ! 3785_3D
assign (resid 57 and name HA# ) ( resid 33 and name HD1# ) 5.00 3.10 0.99 ! 4048_2D
assign (resid 57 and name HA# ) ( resid 33 and name HD2# ) 5.00 3.10 0.99 ! 4047_2D
assign (resid 57 and name HA1 ) ( resid 48 and name HZ ) 5.00 3.10 1.00 ! 3816_2D
assign (resid 57 and name HA1 ) ( resid 48 and name HD# ) 5.00 3.10 1.01 ! 3795_2D
assign (resid 57 and name HA1 ) ( resid 48 and name HE# ) 5.00 3.10 1.01 ! 3815_2D
assign (resid 57 and name HA2 ) ( resid 48 and name HD# ) 5.00 3.10 1.01 ! 3794_2D
assign (resid 57 and name HN ) ( resid 56 and name HN ) 4.50 2.60 1.00 ! 3482_3D ! beta3
assign (resid 57 and name HN ) ( resid 58 and name HN ) 5.00 3.10 1.00 ! 1919_3D
assign (resid 57 and name HA1 ) ( resid 58 and name HN ) 5.00 3.10 1.00 ! 1915_3D
assign (resid 57 and name HA1 ) ( resid 58 and name HH# ) 5.00 3.10 0.99 ! 3818_2D
assign (resid 57 and name HA2 ) ( resid 58 and name HN ) 5.00 3.10 1.00 ! 1914_3D
assign (resid 57 and name HA2 ) ( resid 58 and name HH# ) 5.00 3.10 0.99 ! 3754_2D
assign (resid 58 and name HA ) ( resid 26 and name HN ) 6.00 4.14 1.00 ! 2043_3D ! mvt <- run 78
assign (resid 58 and name HA ) ( resid 26 and name HB# ) 6.00 4.10 1.00 ! 3740_2D ! mvt <- run 78
assign (resid 58 and name HB# ) ( resid 26 and name HB# ) 5.00 3.10 0.99 ! 3778_2D
assign (resid 58 and name HA ) ( resid 27 and name HN ) 5.51 3.60 1.25 ! 3562_3D ! mvt <- run 78 puis calib82
assign (resid 58 and name HA ) ( resid 27 and name HG2# ) 6.00 4.10 0.99 ! 3744_2D ! mvt <- run 78
assign (resid 58 and name HD# ) ( resid 27 and name HG2# ) 5.00 3.10 1.01 ! 3867_2D
assign (resid 58 and name HG# ) ( resid 27 and name HN ) 5.00 3.10 0.99 ! 3662_3D
assign (resid 58 and name HG# ) ( resid 27 and name HD1# ) 5.00 3.10 1.01 ! 3730_2D
assign (resid 58 and name HG# ) ( resid 27 and name HG2# ) 3.70 1.80 0.98 ! 3729_2D
assign (resid 58 and name HA ) ( resid 28 and name HN ) 7.00 4.10 1.00 ! 2041_3D ! BK+1 mvt <- run 78
assign (resid 58 and name HG# ) ( resid 28 and name HN ) 5.00 3.10 0.99 ! 3664_3D
assign (resid 58 and name HG# ) ( resid 28 and name HD21 ) 5.00 3.10 0.99 ! 3686_3D
assign (resid 58 and name HG# ) ( resid 29 and name HN ) 5.00 3.10 0.99 ! 3670_3D
assign (resid 58 and name HG# ) ( resid 30 and name HN ) 5.00 3.10 0.99 ! 3907_3D
assign (resid 58 and name HG# ) ( resid 30 and name HE2# ) 5.00 3.10 0.99 ! 3906_3D
assign (resid 58 and name HA ) ( resid 33 and name HD1# ) 6.00 4.10 0.99 ! 3703_2D ! mvt <- run 78 no amb
assign (resid 58 and name HA ) ( resid 33 and name HD2# ) 6.00 4.10 0.99 ! 3704_2D ! mvt <- run 78 no amb
assign (resid 58 and name HH# ) ( resid 48 and name HD# ) 5.00 3.10 1.11 ! 3812_2D
assign (resid 58 and name HA ) ( resid 59 and name HN ) 3.70 1.80 0.80 ! 981_3D ! i/i+1
assign (resid 58 and name HA ) ( resid 59 and name HB1 ) 5.00 3.10 1.00 ! 3743_2D ! i/i+1
assign (resid 58 and name HN ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 3531_3D
assign (resid 58 and name HB# ) ( resid 59 and name HN ) 3.70 1.80 1.80 ! 3370_3D
assign (resid 58 and name HG# ) ( resid 59 and name HN ) 5.00 3.10 0.99 ! 4165_2D
assign (resid 58 and name HD# ) ( resid 59 and name HN ) 5.00 3.10 0.99 ! 2062_3D
assign (resid 58 and name HG# ) ( resid 61 and name HN ) 5.00 3.10 0.99 ! 3660_3D
assign (resid 58 and name HA ) ( resid 62 and name HN ) 6.00 4.10 1.00 ! 2042_3D ! mvt <- run 78
assign (resid 58 and name HA ) ( resid 62 and name HB1 ) 6.00 4.10 1.00 ! 3742_2D ! mvt <- run 78
assign (resid 58 and name HA ) ( resid 62 and name HB2 ) 6.00 4.10 1.00 ! 3741_2D ! mvt <- run 78
assign (resid 58 and name HG# ) ( resid 62 and name HN ) 3.70 1.80 1.80 ! 3671_3D
assign (resid 58 and name HG# ) ( resid 63 and name HN ) 5.00 3.10 0.99 ! 3685_3D
assign (resid 59 and name HA ) ( resid 26 and name HB1 ) 5.00 3.10 1.00 ! 3520_2D
assign (resid 59 and name HA ) ( resid 26 and name HB2 ) 5.00 3.10 1.00 ! 3519_2D
assign (resid 59 and name HB1 ) ( resid 26 and name HN ) 5.00 3.10 1.00 ! 2253_3D
assign (resid 59 and name HB2 ) ( resid 26 and name HN ) 5.00 3.10 1.00 ! 2978_3D
assign (resid 59 and name HB2 ) ( resid 26 and name HB1 ) 5.00 3.10 1.00 ! 3525_2D
assign (resid 59 and name HB# ) ( resid 29 and name HN ) 5.51 3.10 1.00 ! 3977_3D ! new peak
assign (resid 59 and name HA ) ( resid 33 and name HD1# ) 4.70 2.80 1.02 ! 3705_2D
assign (resid 59 and name HA ) ( resid 33 and name HD2# ) 4.45 2.60 1.50 ! 3706_2D ! calib.
assign (resid 59 and name HB1 ) ( resid 33 and name HD1# ) 4.45 2.60 1.50 ! 3714_2D ! calib.
assign (resid 59 and name HB1 ) ( resid 33 and name HD2# ) 4.45 2.60 1.50 ! 3716_2D ! calib.
assign (resid 59 and name HB2 ) ( resid 33 and name HD1# ) 4.05 2.10 1.75 ! 3707_2D ! ancien 14/19 calib.
assign (resid 59 and name HB2 ) ( resid 33 and name HD2# ) 4.05 2.10 1.75 ! 3708_2D ! ancien 14/19 calib.
assign (resid 59 and name HA ) ( resid 60 and name HN ) 3.55 1.60 1.50 ! 1412_3D ! alpha3 + calib.
assign (resid 59 and name HB1 ) ( resid 60 and name HN ) 5.00 3.10 1.00 ! 1408_3D
assign (resid 59 and name HB2 ) ( resid 60 and name HN ) 5.00 3.10 1.00 ! 2975_3D
assign (resid 59 and name HA ) ( resid 61 and name HN ) 4.50 2.60 1.00 ! 2261_3D ! alpha
assign (resid 59 and name HB1 ) ( resid 61 and name HN ) 5.00 3.10 1.00 ! 2260_3D
assign (resid 59 and name HB2 ) ( resid 62 and name HB2 ) 5.00 3.10 1.00 ! 3522_2D
assign (resid 59 and name HN ) ( resid 63 and name HN ) 5.00 3.10 1.00 ! 3539_3D
assign (resid 60 and name HN ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 3532_3D
assign (resid 61 and name HN ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 2034_3D
assign (resid 62 and name HN ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 2033_3D
assign (resid 62 and name HB1 ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 2059_3D
assign (resid 62 and name HB2 ) ( resid 59 and name HN ) 5.00 3.10 1.00 ! 2060_3D
assign (resid 6 and name HD## ) ( resid 23 and name HD1# ) 5.00 3.10 1.01 ! 3637_2D
assign (resid 6 and name HD## ) ( resid 23 and name HD2# ) 5.00 3.10 1.01 ! 3638_2D
assign (resid 21 and name HA ) ( resid 23 and name HN ) 5.00 3.10 1.00 ! 3651_3D
assign (resid 21 and name HN ) ( resid 23 and name HN ) 5.00 3.10 1.00 ! 3877_3D
assign (resid 22 and name HA ) ( resid 23 and name HN ) 3.70 1.80 0.80 ! 1858_3D
assign (resid 22 and name HG ) ( resid 23 and name HN ) 5.00 3.10 1.00 ! 1862_3D
assign (resid 22 and name HN ) ( resid 23 and name HN ) 5.00 3.10 1.00 ! 3655_3D
assign (resid 22 and name HB# ) ( resid 23 and name HN ) 5.00 3.10 0.99 ! 1861_3D
assign (resid 22 and name HD1# ) ( resid 23 and name HN ) 5.00 3.10 0.99 ! 1860_3D
assign (resid 22 and name HD2# ) ( resid 23 and name HN ) 5.00 3.10 0.99 ! 1859_3D
assign (resid 23 and name HD1# ) ( resid 15 and name HD# ) 5.00 3.10 1.11 ! 3594_2D
assign (resid 23 and name HD1# ) ( resid 15 and name HE# ) 5.00 3.10 1.11 ! 3595_2D
assign (resid 23 and name HD2# ) ( resid 15 and name HD# ) 5.00 3.10 1.11 ! 3596_2D
assign (resid 23 and name HD2# ) ( resid 15 and name HE# ) 5.00 3.10 1.11 ! 3597_2D
assign (resid 23 and name HD1# ) ( resid 22 and name HD1# ) 5.00 3.10 1.01 ! 3631_2D
assign (resid 23 and name HD2# ) ( resid 22 and name HD1# ) 5.00 3.10 1.01 ! 3632_2D
assign (resid 23 and name HA ) ( resid 24 and name HN ) 2.50 0.60 0.50 ! 1857_3D
assign (resid 23 and name HG ) ( resid 24 and name HN ) 3.70 1.80 0.80 ! 1865_3D
assign (resid 23 and name HB1 ) ( resid 24 and name HN ) 3.70 1.80 0.98 ! 1864_3D
assign (resid 23 and name HB1 ) ( resid 24 and name HD1# ) 5.00 3.10 0.99 ! 3667_2D
assign (resid 23 and name HB2 ) ( resid 24 and name HN ) 5.00 3.10 1.00 ! 1863_3D
assign (resid 23 and name HD## ) ( resid 48 and name HD# ) 6.00 4.10 1.11 ! 3601_2D
assign (resid 23 and name HD## ) ( resid 48 and name HD# ) 6.00 4.10 1.11 ! 3602_2D
assign (resid 23 and name HD1# ) ( resid 55 and name HD1 ) 5.00 3.10 1.01 ! 3588_2D
assign (resid 23 and name HD1# ) ( resid 55 and name HE1 ) 5.00 3.10 1.01 ! 1946_3D
assign (resid 23 and name HD1# ) ( resid 55 and name HZ2 ) 5.00 3.10 0.99 ! 3604_2D
assign (resid 23 and name HD2# ) ( resid 55 and name HD1 ) 5.00 3.10 1.01 ! 3589_2D
assign (resid 23 and name HD2# ) ( resid 55 and name HE1 ) 5.00 3.10 1.01 ! 1947_3D
assign (resid 23 and name HD2# ) ( resid 55 and name HZ2 ) 5.00 3.10 0.99 ! 3605_2D
assign (resid 24 and name HD1# ) ( resid 23 and name HD1# ) 5.00 3.10 1.01 ! 3633_2D
assign (resid 24 and name HD1# ) ( resid 23 and name HD2# ) 5.00 3.10 1.01 ! 3634_2D
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