Content for NMR-STAR saveframe, "750-400_CH"
save_750-400_CH
_RDC_list.Sf_category RDCs
_RDC_list.Sf_framecode 750-400_CH
_RDC_list.Entry_ID 4320
_RDC_list.ID 1
_RDC_list.Sample_condition_list_ID 1
_RDC_list.Sample_condition_list_label $conditions_one
_RDC_list.Spectrometer_frequency_1H .
_RDC_list.Bond_length_usage_flag .
_RDC_list.Dipolar_constraint_calib_method .
_RDC_list.Mol_align_tensor_axial_sym_mol .
_RDC_list.Mol_align_tensor_rhombic_mol .
_RDC_list.General_order_param_int_motions .
_RDC_list.Assumed_H_N_bond_length .
_RDC_list.Assumed_H_C_bond_length .
_RDC_list.Assumed_C_N_bond_length .
_RDC_list.Details
;
Calculated difference of measured JCH couplings,
taken as [J+D(750)] - [J+D(400)]. Errors were propogated
from individual coupling constant measurment errors, which
were obtained from duplicate measurments.
;
_RDC_list.Text_data_format .
_RDC_list.Text_data .
loop_
_RDC_experiment.Experiment_ID
_RDC_experiment.Experiment_name
_RDC_experiment.Sample_ID
_RDC_experiment.Sample_label
_RDC_experiment.Sample_state
_RDC_experiment.Entry_ID
_RDC_experiment.RDC_list_ID
. . 2 $sample_two . 4320 1
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loop_
_RDC.ID
_RDC.RDC_code
_RDC.Assembly_atom_ID_1
_RDC.Entity_assembly_ID_1
_RDC.Entity_ID_1
_RDC.Comp_index_ID_1
_RDC.Seq_ID_1
_RDC.Comp_ID_1
_RDC.Atom_ID_1
_RDC.Atom_type_1
_RDC.Atom_isotope_number_1
_RDC.Ambiguity_code_1
_RDC.Assembly_atom_ID_2
_RDC.Entity_assembly_ID_2
_RDC.Entity_ID_2
_RDC.Comp_index_ID_2
_RDC.Seq_ID_2
_RDC.Comp_ID_2
_RDC.Atom_ID_2
_RDC.Atom_type_2
_RDC.Atom_isotope_number_2
_RDC.Ambiguity_code_2
_RDC.Val
_RDC.Val_min
_RDC.Val_max
_RDC.Val_err
_RDC.Val_bond_length
_RDC.Resonance_ID_1
_RDC.Resonance_ID_2
_RDC.Auth_entity_assembly_ID_1
_RDC.Auth_seq_ID_1
_RDC.Auth_comp_ID_1
_RDC.Auth_atom_ID_1
_RDC.Auth_entity_assembly_ID_2
_RDC.Auth_seq_ID_2
_RDC.Auth_comp_ID_2
_RDC.Auth_atom_ID_2
_RDC.Entry_ID
_RDC.RDC_list_ID
1 1DCAHA . 1 1 1 1 MET CA C 13 . . 1 1 1 1 MET HA H 1 . 0.562 . . 0.053 . . . . . . . . . . . 4320 1
2 1DCAHA . 1 1 2 2 LYS CA C 13 . . 1 1 2 2 LYS HA H 1 . -0.833 . . 0.104 . . . . . . . . . . . 4320 1
3 1DCAHA . 1 1 4 4 TYR CA C 13 . . 1 1 4 4 TYR HA H 1 . -1.304 . . 0.229 . . . . . . . . . . . 4320 1
4 1DCAHA . 1 1 15 15 PRO CA C 13 . . 1 1 15 15 PRO HA H 1 . -1.234 . . 0.074 . . . . . . . . . . . 4320 1
5 1DCAHA . 1 1 16 16 GLU CA C 13 . . 1 1 16 16 GLU HA H 1 . -0.745 . . 0.019 . . . . . . . . . . . 4320 1
6 1DCAHA . 1 1 20 20 PRO CA C 13 . . 1 1 20 20 PRO HA H 1 . 0.093 . . 0.006 . . . . . . . . . . . 4320 1
7 1DCAHA . 1 1 22 22 ASN CA C 13 . . 1 1 22 22 ASN HA H 1 . -2.210 . . 0.069 . . . . . . . . . . . 4320 1
8 1DCAHA . 1 1 24 24 VAL CA C 13 . . 1 1 24 24 VAL HA H 1 . -0.341 . . 0.002 . . . . . . . . . . . 4320 1
9 1DCAHA . 1 1 25 25 ASN CA C 13 . . 1 1 25 25 ASN HA H 1 . 0.094 . . 0.060 . . . . . . . . . . . 4320 1
10 1DCAHA . 1 1 26 26 PRO CA C 13 . . 1 1 26 26 PRO HA H 1 . -0.118 . . 0.316 . . . . . . . . . . . 4320 1
11 1DCAHA . 1 1 30 30 PHE CA C 13 . . 1 1 30 30 PHE HA H 1 . -1.476 . . 0.057 . . . . . . . . . . . 4320 1
12 1DCAHA . 1 1 31 31 LYS CA C 13 . . 1 1 31 31 LYS HA H 1 . 2.013 . . 0.023 . . . . . . . . . . . 4320 1
13 1DCAHA . 1 1 33 33 ILE CA C 13 . . 1 1 33 33 ILE HA H 1 . 0.391 . . 0.058 . . . . . . . . . . . 4320 1
14 1DCAHA . 1 1 34 34 PRO CA C 13 . . 1 1 34 34 PRO HA H 1 . -0.364 . . 0.016 . . . . . . . . . . . 4320 1
15 1DCAHA . 1 1 35 35 ASP CA C 13 . . 1 1 35 35 ASP HA H 1 . -2.143 . . 0.127 . . . . . . . . . . . 4320 1
16 1DCAHA . 1 1 36 36 ASP CA C 13 . . 1 1 36 36 ASP HA H 1 . 2.056 . . 0.122 . . . . . . . . . . . 4320 1
17 1DCAHA . 1 1 37 37 TRP CA C 13 . . 1 1 37 37 TRP HA H 1 . -1.016 . . 0.055 . . . . . . . . . . . 4320 1
18 1DCAHA . 1 1 47 47 ASP CA C 13 . . 1 1 47 47 ASP HA H 1 . -0.906 . . 0.132 . . . . . . . . . . . 4320 1
19 1DCAHA . 1 1 50 50 GLU CA C 13 . . 1 1 50 50 GLU HA H 1 . 0.913 . . 0.048 . . . . . . . . . . . 4320 1
20 1DCAHA . 1 1 51 51 GLU CA C 13 . . 1 1 51 51 GLU HA H 1 . 0.097 . . 0.069 . . . . . . . . . . . 4320 1
21 1DCAHA . 1 1 54 54 GLU CA C 13 . . 1 1 54 54 GLU HA H 1 . -0.708 . . 0.064 . . . . . . . . . . . 4320 1
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