data_6187
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
BACKBONE SOLUTION STRUCTURE OF MIXED ALPHA/BETA PROTEIN PF1061
;
_BMRB_accession_number 6187
_BMRB_flat_file_name bmr6187.str
_Entry_type original
_Submission_date 2004-04-22
_Accession_date 2004-04-22
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Prestegard J. H. .
2 Mayer K. L. .
3 Valafar H. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
coupling_constants 1
residual_dipolar_couplings 6
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 140
"13C chemical shifts" 68
"15N chemical shifts" 68
"coupling constants" 59
"residual dipolar couplings" 394
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-10-12 update BMRB 'NMR-STAR v3.1'
2004-06-25 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Backbone Solution Structures of Proteins Using Residual Dipolar Couplings: Application to a Novel Structural Genomics Target'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 15704012
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Valafar H. . .
2 Mayer K. L. .
3 Bougault C. M. .
4 LeBlond P. D. .
5 Jenney F. E. Jr.
6 Brereton P. S. .
7 Adams M. W.W. .
8 Prestegard J. H. .
stop_
_Journal_abbreviation 'J. Struct. Funct. Genomics'
_Journal_name_full 'Journal of Structural and Functional Genomics'
_Journal_volume 5
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 241
_Page_last 254
_Year 2004
_Details .
loop_
_Keyword
NMR
'RESIDUAL DIPOLAR COUPLINGS'
'STRUCTURAL GENOMICS'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_PF1061
_Saveframe_category molecular_system
_Mol_system_name 'hypothetical protein PF1061'
_Abbreviation_common 'hypothetical protein PF1061'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'hypothetical protein PF1061' $PF1061
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_PF1061
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'hypothetical protein PF1061'
_Abbreviation_common 'hypothetical protein PF1061'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 77
_Mol_residue_sequence
;
AHHHHHHGSKMIKVKVIGRN
IEKEIEWREGMKVRDILRAV
GFNTESAIAKVNGKVVLEDD
EVKDGDFVEVIPVVSGG
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -8 ALA 2 -7 HIS 3 -6 HIS 4 -5 HIS 5 -4 HIS
6 -3 HIS 7 -2 HIS 8 -1 GLY 9 1 SER 10 2 LYS
11 3 MET 12 4 ILE 13 5 LYS 14 6 VAL 15 7 LYS
16 8 VAL 17 9 ILE 18 10 GLY 19 11 ARG 20 12 ASN
21 13 ILE 22 14 GLU 23 15 LYS 24 16 GLU 25 17 ILE
26 18 GLU 27 19 TRP 28 20 ARG 29 21 GLU 30 22 GLY
31 23 MET 32 24 LYS 33 25 VAL 34 26 ARG 35 27 ASP
36 28 ILE 37 29 LEU 38 30 ARG 39 31 ALA 40 32 VAL
41 33 GLY 42 34 PHE 43 35 ASN 44 36 THR 45 37 GLU
46 38 SER 47 39 ALA 48 40 ILE 49 41 ALA 50 42 LYS
51 43 VAL 52 44 ASN 53 45 GLY 54 46 LYS 55 47 VAL
56 48 VAL 57 49 LEU 58 50 GLU 59 51 ASP 60 52 ASP
61 53 GLU 62 54 VAL 63 55 LYS 64 56 ASP 65 57 GLY
66 58 ASP 67 59 PHE 68 60 VAL 69 61 GLU 70 62 VAL
71 63 ILE 72 64 PRO 73 65 VAL 74 66 VAL 75 67 SER
76 68 GLY 77 69 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1RWS "Backbone Solution Structure Of Mixed AlphaBETA PROTEIN PF1061" 100.00 77 100.00 100.00 5.58e-45
PDB 1SF0 "Backbone Solution Structure Of Mixed AlphaBETA PROTEIN PF1061" 100.00 77 100.00 100.00 5.58e-45
GB AAL81185 "hypothetical protein PF1061 [Pyrococcus furiosus DSM 3638]" 88.31 69 100.00 100.00 1.62e-37
GB AFN03857 "sulfur carrier protein ThiS [Pyrococcus furiosus COM1]" 87.01 67 100.00 100.00 7.68e-37
REF NP_578790 "sulfur carrier protein ThiS [Pyrococcus furiosus DSM 3638]" 90.91 71 98.57 98.57 3.53e-38
REF WP_011012198 "sulfur carrier protein ThiS [Pyrococcus furiosus]" 90.91 71 98.57 98.57 3.53e-38
REF WP_014835316 "sulfur carrier protein ThiS [Pyrococcus furiosus]" 87.01 67 100.00 100.00 7.68e-37
REF YP_006492149 "sulfur carrier protein ThiS [Pyrococcus furiosus COM1]" 87.01 67 100.00 100.00 7.68e-37
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$PF1061 'Pyrococcus furiosus' 2261 Archaea . Pyrococcus furiosus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$PF1061 'recombinant technology' 'E. coli' Escherichia coli 'BL21DE3STAR PRIL' plasmid 'PET24D BAM'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PF1061 1 mM '[U-15N; 16%-13C]'
'PHOSPHATE BUFFER' 50 mM .
KCL 200 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type bicelles
_Details 'the C12E5 conentration is 4%'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PF1061 0.5 mM '[U-15N; 16%-13C]'
'PHOSPHATE BUFFER' 50 mM .
'C12E5:HEXANOL 0.98:1' . mM .
KCL 100 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type bicelles
_Details 'the C12E5 conentration is 4%'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PF1061 0.5 mM '[U-15N; 16%-13C]'
'PHOSPHATE BUFFER' 50 mM .
'PEG:CTAB 27:1' . mM .
'C12E5:HEXANOL 0.87:1' . mM .
KCL 100 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PF1061 1 mM [U-15N]
'PHOSPHATE BUFFER' 50 mM .
KCL 200 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XPLOR-NIH
_Saveframe_category software
_Name XPLOR-NIH
_Version 2.9.1
loop_
_Task
refinement
stop_
_Details 'SCHWIETERS, KUSZEWSKI, Tjandra, Clore'
save_
save_NMRPIPE
_Saveframe_category software
_Name NMRPIPE
_Version 5.0.4
loop_
_Task
'structure solution'
stop_
_Details 'Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.'
save_
save_REDCRAFT
_Saveframe_category software
_Name REDCRAFT
_Version 1.0
loop_
_Task
'structure solution'
stop_
_Details 'Homayoun Valafar, James Prestegard'
save_
save_REDCAT
_Saveframe_category software
_Name REDCAT
_Version 1.0
loop_
_Task
'structure solution'
stop_
_Details 'Homayoun Valafar, James Prestegard'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer VARIAN
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-SEPARATED_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-SEPARATED NOESY'
_Sample_label $sample_4
save_
save_3D_15N-SEPARATED_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-SEPARATED TOCSY'
_Sample_label $sample_4
save_
save_SOFT_HNCA-E.COSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 'SOFT HNCA-E.COSY'
_Sample_label $sample_1
save_
save_MODIFIED_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 'MODIFIED HNCO'
_Sample_label $sample_1
save_
save_15N_COUPLED_HSQC_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N COUPLED HSQC'
_Sample_label $sample_1
save_
save_SOFT_HNCA-E.COSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name 'SOFT HNCA-E.COSY'
_Sample_label $sample_2
save_
save_MODIFIED_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name 'MODIFIED HNCO'
_Sample_label $sample_2
save_
save_15N_COUPLED_HSQC_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N COUPLED HSQC'
_Sample_label $sample_2
save_
save_15N_COUPLED_HSQC_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N COUPLED HSQC'
_Sample_label $sample_3
save_
save_SOFT_HNCA-E.COSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 'SOFT HNCA-E.COSY'
_Sample_label $sample_3
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.5 . pH
temperature 298 . K
'ionic strength' 200 . mM
pressure 1 . atm
stop_
save_
save_sample_cond_2
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6 . pH
temperature 300 . K
'ionic strength' 100 . mM
pressure 1 . atm
stop_
save_
save_sample_cond_3
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6 . pH
temperature 293 . K
'ionic strength' 100 . mM
pressure 1 . atm
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.00 . direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 15N-SEPARATED NOESY'
'3D 15N-SEPARATED TOCSY'
stop_
loop_
_Sample_label
$sample_4
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'hypothetical protein PF1061'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 9 SER H H 8.29 0.05 1
2 1 9 SER HA H 4.564 0.05 1
3 1 9 SER CA C 58.57 0.05 1
4 1 9 SER N N 116.14 0.1 1
5 2 10 LYS H H 9.07 0.05 1
6 2 10 LYS HA H 4.363 0.05 1
7 2 10 LYS CA C 57.02 0.05 1
8 2 10 LYS N N 124.15 0.1 1
9 3 11 MET H H 8.48 0.05 1
10 3 11 MET HA H 5.178 0.05 1
11 3 11 MET CA C 54.86 0.05 1
12 3 11 MET N N 119.32 0.1 1
13 4 12 ILE H H 9.16 0.05 1
14 4 12 ILE HA H 4.581 0.05 1
15 4 12 ILE CA C 59.79 0.05 1
16 4 12 ILE N N 120.88 0.1 1
17 5 13 LYS H H 8.17 0.05 1
18 5 13 LYS HA H 4.907 0.05 1
19 5 13 LYS CA C 55.74 0.05 1
20 5 13 LYS N N 126.12 0.1 1
21 6 14 VAL H H 8.93 0.05 1
22 6 14 VAL HA H 5.284 0.05 1
23 6 14 VAL CA C 59.43 0.05 1
24 6 14 VAL N N 123.39 0.1 1
25 7 15 LYS H H 8.62 0.05 1
26 7 15 LYS HA H 5.211 0.05 1
27 7 15 LYS CA C 54.68 0.05 1
28 7 15 LYS N N 127.39 0.1 1
29 8 16 VAL H H 8.58 0.05 1
30 8 16 VAL HA H 4.775 0.05 1
31 8 16 VAL CA C 60.82 0.05 1
32 8 16 VAL N N 125.33 0.1 1
33 9 17 ILE H H 8.86 0.05 1
34 9 17 ILE HA H 3.937 0.05 1
35 9 17 ILE CA C 61.4927 0.05 1
36 9 17 ILE N N 131.21 0.1 1
37 10 18 GLY H H 8.9 0.05 1
38 10 18 GLY CA C 45.44 0.05 1
39 10 18 GLY N N 115.12 0.1 1
40 10 18 GLY HA2 H 3.823 0.05 1
41 10 18 GLY HA3 H 4.364 0.05 1
42 11 19 ARG H H 7.52 0.05 1
43 11 19 ARG HA H 4.769 0.05 1
44 11 19 ARG CA C 53.77 0.05 1
45 11 19 ARG N N 116.43 0.1 1
46 12 20 ASN H H 8.61 0.05 1
47 12 20 ASN HA H 4.587 0.05 1
48 12 20 ASN CA C 53.89 0.05 1
49 12 20 ASN N N 117.49 0.1 1
50 13 21 ILE H H 6.96 0.05 1
51 13 21 ILE HA H 4.41 0.05 1
52 13 21 ILE CA C 60.48 0.05 1
53 13 21 ILE N N 116.56 0.1 1
54 14 22 GLU H H 8.49 0.05 1
55 14 22 GLU HA H 5.314 0.05 1
56 14 22 GLU CA C 55.54 0.05 1
57 14 22 GLU N N 128.23 0.1 1
58 15 23 LYS H H 9.05 0.05 1
59 15 23 LYS HA H 4.806 0.05 1
60 15 23 LYS CA C 54.747 0.05 1
61 15 23 LYS N N 123.17 0.1 1
62 16 24 GLU H H 8.39 0.05 1
63 16 24 GLU HA H 5.301 0.05 1
64 16 24 GLU CA C 55.07 0.05 1
65 16 24 GLU N N 121.07 0.1 1
66 17 25 ILE H H 9.06 0.05 1
67 17 25 ILE HA H 4.409 0.05 1
68 17 25 ILE CA C 59.148 0.05 1
69 17 25 ILE N N 123.35 0.1 1
70 18 26 GLU H H 8.59 0.05 1
71 18 26 GLU HA H 4.601 0.05 1
72 18 26 GLU CA C 57.4 0.05 1
73 18 26 GLU N N 126.7 0.1 1
74 19 27 TRP H H 8.59 0.05 1
75 19 27 TRP HA H 4.364 0.05 1
76 19 27 TRP CA C 58.42 0.05 1
77 19 27 TRP N N 126.29 0.1 1
78 20 28 ARG H H 5.99 0.05 1
79 20 28 ARG HA H 3.733 0.05 1
80 20 28 ARG CA C 53.78 0.05 1
81 20 28 ARG N N 123.86 0.1 1
82 21 29 GLU H H 7.7 0.05 1
83 21 29 GLU HA H 3.543 0.05 1
84 21 29 GLU CA C 57.92 0.05 1
85 21 29 GLU N N 120.1 0.1 1
86 22 30 GLY H H 8.82 0.05 1
87 22 30 GLY CA C 44.99 0.05 1
88 22 30 GLY N N 114.32 0.1 1
89 22 30 GLY HA3 H 4.16 0.05 1
90 22 30 GLY HA2 H 3.677 0.05 1
91 23 31 MET H H 7.53 0.05 1
92 23 31 MET HA H 4.036 0.05 1
93 23 31 MET CA C 58.02 0.05 1
94 23 31 MET N N 121.67 0.1 1
95 24 32 LYS H H 9.11 0.05 1
96 24 32 LYS HA H 5.343 0.05 1
97 24 32 LYS CA C 53.97 0.05 1
98 24 32 LYS N N 124.38 0.1 1
99 25 33 VAL H H 8.78 0.05 1
100 25 33 VAL HA H 3.27 0.05 1
101 25 33 VAL CA C 53.97 0.05 1
102 25 33 VAL N N 124.33 0.1 1
103 26 34 ARG H H 8.93 0.05 1
104 26 34 ARG CA C 67.98 0.05 1
105 26 34 ARG N N 116.47 0.1 1
106 27 35 ASP H H 7.47 0.05 1
107 27 35 ASP HA H 4.454 0.05 1
108 27 35 ASP CA C 57.46 0.05 1
109 27 35 ASP N N 118.6 0.1 1
110 28 36 ILE H H 7.51 0.05 1
111 28 36 ILE HA H 3.672 0.05 1
112 28 36 ILE CA C 62.8 0.05 1
113 28 36 ILE N N 121.75 0.1 1
114 29 37 LEU H H 8.05 0.05 1
115 29 37 LEU HA H 3.752 0.05 1
116 29 37 LEU CA C 58.46 0.05 1
117 29 37 LEU N N 116.92 0.1 1
118 30 38 ARG H H 7.63 0.05 1
119 30 38 ARG HA H 4.259 0.05 1
120 30 38 ARG CA C 59.07 0.05 1
121 30 38 ARG N N 117.4 0.1 1
122 31 39 ALA H H 7.63 0.05 1
123 31 39 ALA HA H 4.253 0.05 1
124 31 39 ALA CA C 54.77 0.05 1
125 31 39 ALA N N 121.75 0.1 1
126 32 40 VAL H H 7.36 0.05 1
127 32 40 VAL HA H 4.64 0.05 1
128 32 40 VAL CA C 60.33 0.05 1
129 32 40 VAL N N 106.13 0.1 1
130 33 41 GLY H H 7.58 0.05 1
131 33 41 GLY CA C 46.17 0.05 1
132 33 41 GLY N N 107.18 0.1 1
133 33 41 GLY HA3 H 3.952 0.05 1
134 33 41 GLY HA2 H 3.712 0.05 1
135 34 42 PHE H H 8.3 0.05 1
136 34 42 PHE HA H 4.711 0.05 1
137 34 42 PHE CA C 57.27 0.05 1
138 34 42 PHE N N 118.78 0.1 1
139 35 43 ASN H H 8.04 0.05 1
140 35 43 ASN HA H 4.73 0.05 1
141 35 43 ASN CA C 52.49 0.05 1
142 35 43 ASN N N 116.2 0.1 1
143 36 44 THR H H 8.32 0.05 1
144 36 44 THR HA H 4.294 0.05 1
145 36 44 THR CA C 64.17 0.05 1
146 36 44 THR N N 110 0.1 1
147 37 45 GLU H H 8.38 0.05 1
148 37 45 GLU HA H 4.443 0.05 1
149 37 45 GLU CA C 57.41 0.05 1
150 37 45 GLU N N 118.65 0.1 1
151 38 46 SER H H 8.01 0.05 1
152 38 46 SER HA H 4.702 0.05 1
153 38 46 SER CA C 57.82 0.05 1
154 38 46 SER N N 113.01 0.1 1
155 39 47 ALA H H 8 0.05 1
156 39 47 ALA HA H 4.891 0.05 1
157 39 47 ALA CA C 52.14 0.05 1
158 39 47 ALA N N 124.85 0.1 1
159 40 48 ILE H H 8.2 0.05 1
160 40 48 ILE HA H 4.254 0.05 1
161 40 48 ILE CA C 60.02 0.05 1
162 40 48 ILE N N 117.4 0.1 1
163 41 49 ALA H H 8.9 0.05 1
164 41 49 ALA HA H 5.416 0.05 1
165 41 49 ALA CA C 49.92 0.05 1
166 41 49 ALA N N 125.88 0.1 1
167 42 50 LYS H H 8.85 0.05 1
168 42 50 LYS HA H 5.18 0.05 1
169 42 50 LYS CA C 54.37 0.05 1
170 42 50 LYS N N 117.75 0.1 1
171 43 51 VAL H H 8.8 0.05 1
172 43 51 VAL HA H 4.673 0.05 1
173 43 51 VAL CA C 61.4 0.05 1
174 43 51 VAL N N 121.05 0.1 1
175 44 52 ASN H H 9.94 0.05 1
176 44 52 ASN HA H 4.579 0.05 1
177 44 52 ASN CA C 54.34 0.05 1
178 44 52 ASN N N 128.77 0.1 1
179 45 53 GLY H H 9.51 0.05 1
180 45 53 GLY CA C 45.37 0.05 1
181 45 53 GLY N N 103.74 0.1 1
182 45 53 GLY HA3 H 4.277 0.05 1
183 45 53 GLY HA2 H 3.642 0.05 1
184 46 54 LYS H H 7.7 0.05 1
185 46 54 LYS HA H 4.751 0.05 1
186 46 54 LYS CA C 54.48 0.05 1
187 46 54 LYS N N 121.8 0.1 1
188 47 55 VAL H H 8.58 0.05 1
189 47 55 VAL HA H 4.305 0.05 1
190 47 55 VAL CA C 64.56 0.05 1
191 47 55 VAL N N 124.49 0.1 1
192 48 56 VAL H H 7.97 0.05 1
193 48 56 VAL HA H 4.789 0.05 1
194 48 56 VAL CA C 59.58 0.05 1
195 48 56 VAL N N 121.3 0.1 1
196 49 57 LEU H H 8.47 0.05 1
197 49 57 LEU HA H 5.301 0.05 1
198 49 57 LEU CA C 53.59 0.05 1
199 49 57 LEU N N 120.32 0.1 1
200 50 58 GLU H H 8.67 0.05 1
201 50 58 GLU HA H 3.863 0.05 1
202 50 58 GLU CA C 59.27 0.05 1
203 50 58 GLU N N 116.72 0.1 1
204 51 59 ASP H H 7.77 0.05 1
205 51 59 ASP HA H 4.809 0.05 1
206 51 59 ASP CA C 53.77 0.05 1
207 51 59 ASP N N 115.12 0.1 1
208 52 60 ASP H H 7.62 0.05 1
209 52 60 ASP HA H 4.64 0.05 1
210 52 60 ASP CA C 55.19 0.05 1
211 52 60 ASP N N 120.33 0.1 1
212 53 61 GLU H H 8.52 0.05 1
213 53 61 GLU HA H 4.679 0.05 1
214 53 61 GLU CA C 56.69 0.05 1
215 53 61 GLU N N 120.07 0.1 1
216 54 62 VAL H H 7.77 0.05 1
217 54 62 VAL HA H 4.48 0.05 1
218 54 62 VAL CA C 60.54 0.05 1
219 54 62 VAL N N 116.88 0.1 1
220 55 63 LYS H H 9.13 0.05 1
221 55 63 LYS HA H 4.386 0.05 1
222 55 63 LYS CA C 54.64 0.05 1
223 55 63 LYS N N 126.44 0.1 1
224 56 64 ASP H H 7.06 0.05 1
225 56 64 ASP HA H 3.425 0.05 1
226 56 64 ASP CA C 55.5 0.05 1
227 56 64 ASP N N 117.4 0.1 1
228 57 65 GLY H H 7.95 0.05 1
229 57 65 GLY CA C 45.22 0.05 1
230 57 65 GLY N N 113.81 0.1 1
231 57 65 GLY HA3 H 4.163 0.05 1
232 57 65 GLY HA2 H 3.743 0.05 1
233 58 66 ASP H H 7.87 0.05 1
234 58 66 ASP HA H 4.706 0.05 1
235 58 66 ASP CA C 55.99 0.05 1
236 58 66 ASP N N 122.2 0.1 1
237 59 67 PHE H H 8.23 0.05 1
238 59 67 PHE HA H 5.445 0.05 1
239 59 67 PHE CA C 55.1156 0.05 1
240 59 67 PHE N N 120.22 0.1 1
241 60 68 VAL H H 9.21 0.05 1
242 60 68 VAL HA H 4.875 0.05 1
243 60 68 VAL CA C 60.64 0.05 1
244 60 68 VAL N N 129.68 0.1 1
245 61 69 GLU H H 8.87 0.05 1
246 61 69 GLU HA H 4.899 0.05 1
247 61 69 GLU CA C 54.45 0.05 1
248 61 69 GLU N N 126.24 0.1 1
249 62 70 VAL H H 8.89 0.05 1
250 62 70 VAL HA H 4.365 0.05 1
251 62 70 VAL CA C 61.44 0.05 1
252 62 70 VAL N N 123.54 0.1 1
253 63 71 ILE H H 9.22 0.05 1
254 63 71 ILE HA H 4.487 0.05 1
255 63 71 ILE CA C 58.73 0.05 1
256 63 71 ILE N N 129.06 0.1 1
257 65 73 VAL H H 8.1 0.05 1
258 65 73 VAL HA H 4.16 0.05 1
259 65 73 VAL CA C 62.45 0.05 1
260 65 73 VAL N N 122.64 0.1 1
261 66 74 VAL H H 8.2 0.05 1
262 66 74 VAL HA H 4.264 0.05 1
263 66 74 VAL CA C 61.85 0.05 1
264 66 74 VAL N N 123.46 0.1 1
265 67 75 SER H H 8.46 0.05 1
266 67 75 SER HA H 4.489 0.05 1
267 67 75 SER CA C 58.51 0.05 1
268 67 75 SER N N 120.58 0.1 1
269 68 76 GLY H H 8.47 0.05 1
270 68 76 GLY CA C 45.44 0.05 1
271 68 76 GLY N N 111.96 0.1 1
272 68 76 GLY HA2 H 4.005 0.05 2
273 69 77 GLY H H 7.98 0.05 1
274 69 77 GLY CA C 46 0.05 1
275 69 77 GLY N N 115.1 0.1 1
276 69 77 GLY HA2 H 3.786 0.05 2
stop_
save_
########################
# Coupling constants #
########################
save_coupling_constants_set_1
_Saveframe_category coupling_constants
_Details .
loop_
_Experiment_label
'SOFT HNCA-E.COSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Spectrometer_frequency_1H 600
_Mol_system_component_name 'hypothetical protein PF1061'
_Text_data_format .
_Text_data .
loop_
_Coupling_constant_ID
_Coupling_constant_code
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_name
_Coupling_constant_value
_Coupling_constant_min_value
_Coupling_constant_max_value
_Coupling_constant_value_error
1 3JHNHA 9 SER H 9 SER HA 7.6934 . . 2.5
2 3JHNHA 10 LYS H 10 LYS HA 7.3975 . . 2.5
3 3JHNHA 11 MET H 11 MET HA 7.5515 . . 2.5
4 3JHNHA 12 ILE H 12 ILE HA 9.7251 . . 2.5
5 3JHNHA 13 LYS H 13 LYS HA 7.2479 . . 2.5
6 3JHNHA 14 VAL H 14 VAL HA 10.1123 . . 2.5
7 3JHNHA 15 LYS H 15 LYS HA 8.4645 . . 2.5
8 3JHNHA 16 VAL H 16 VAL HA 9.7504 . . 2.5
9 3JHNHA 17 ILE H 17 ILE HA 3.9908 . . 2.5
10 3JHNHA 19 ARG H 19 ARG HA 9.4534 . . 2.5
11 3JHNHA 20 ASN H 20 ASN HA 7.0268 . . 2.5
12 3JHNHA 21 ILE H 21 ILE HA 9.8362 . . 2.5
13 3JHNHA 22 GLU H 22 GLU HA 8.7076 . . 2.5
14 3JHNHA 23 LYS H 23 LYS HA 8.4293 . . 2.5
15 3JHNHA 24 GLU H 24 GLU HA 8.6999 . . 2.5
16 3JHNHA 25 ILE H 25 ILE HA 11.2123 . . 2.5
17 3JHNHA 26 GLU H 26 GLU HA 4.3373 . . 2.5
18 3JHNHA 28 ARG H 28 ARG HA 7.8078 . . 2.5
19 3JHNHA 29 GLU H 29 GLU HA 2.2253 . . 2.5
20 3JHNHA 31 MET H 31 MET HA 3.8313 . . 2.5
21 3JHNHA 32 LYS H 32 LYS HA 7.0125 . . 2.5
22 3JHNHA 33 VAL H 33 VAL HA 3.1262 . . 2.5
23 3JHNHA 34 ARG H 34 ARG HA 3.2274 . . 2.5
24 3JHNHA 35 ASP H 35 ASP HA 5.676 . . 2.5
25 3JHNHA 36 ILE H 36 ILE HA 6.3976 . . 2.5
26 3JHNHA 37 LEU H 37 LEU HA 3.0965 . . 2.5
27 3JHNHA 38 ARG H 38 ARG HA 2.6488 . . 2.5
28 3JHNHA 39 ALA H 39 ALA HA 5.1458 . . 2.5
29 3JHNHA 40 VAL H 40 VAL HA 10.703 . . 2.5
30 3JHNHA 42 PHE H 42 PHE HA 10.1398 . . 2.5
31 3JHNHA 43 ASN H 43 ASN HA 7.0213 . . 2.5
32 3JHNHA 44 THR H 44 THR HA 4.5254 . . 2.5
33 3JHNHA 45 GLU H 45 GLU HA 8.7461 . . 2.5
34 3JHNHA 46 SER H 46 SER HA 10.2432 . . 2.5
35 3JHNHA 47 ALA H 47 ALA HA 7.3953 . . 2.5
36 3JHNHA 48 ILE H 48 ILE HA 10.3224 . . 2.5
37 3JHNHA 49 ALA H 49 ALA HA 9.3511 . . 2.5
38 3JHNHA 50 LYS H 50 LYS HA 9.4127 . . 2.5
39 3JHNHA 51 VAL H 51 VAL HA 9.1707 . . 2.5
40 3JHNHA 52 ASN H 52 ASN HA 6.9168 . . 2.5
41 3JHNHA 54 LYS H 54 LYS HA 9.7328 . . 2.5
42 3JHNHA 55 VAL H 55 VAL HA 4.0601 . . 2.5
43 3JHNHA 56 VAL H 56 VAL HA 10.6304 . . 2.5
44 3JHNHA 57 LEU H 57 LEU HA 8.8814 . . 2.5
45 3JHNHA 58 GLU H 58 GLU HA 2.1593 . . 2.5
46 3JHNHA 59 ASP H 59 ASP HA 8.9749 . . 2.5
47 3JHNHA 60 ASP H 60 ASP HA 5.3867 . . 2.5
48 3JHNHA 61 GLU H 61 GLU HA 5.7497 . . 2.5
49 3JHNHA 62 VAL H 62 VAL HA 10.9714 . . 2.5
50 3JHNHA 63 LYS H 63 LYS HA 9.0002 . . 2.5
51 3JHNHA 66 ASP H 66 ASP HA 4.5331 . . 2.5
52 3JHNHA 67 PHE H 67 PHE HA 7.41587 . . 2.5
53 3JHNHA 68 VAL H 68 VAL HA 10.0463 . . 2.5
54 3JHNHA 69 GLU H 69 GLU HA 9.1817 . . 2.5
55 3JHNHA 70 VAL H 70 VAL HA 10.164 . . 2.5
56 3JHNHA 71 ILE H 71 ILE HA 8.2005 . . 2.5
57 3JHNHA 73 VAL H 73 VAL HA 7.029 . . 2.5
58 3JHNHA 74 VAL H 74 VAL HA 9.1212 . . 2.5
59 3JHNHA 75 SER H 75 SER HA 7.7187 . . 2.5
stop_
save_
save_residual_dipolar_couplings_1
_Saveframe_category residual_dipolar_couplings
loop_
_Sample_label
$sample_1
$sample_2
$sample_1
$sample_2
stop_
loop_
_Residual_dipolar_coupling_ID
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
_Residual_dipolar_coupling_value
_Software_label
_Atom_one_mol_system_component_name
_Atom_two_mol_system_component_name
_Residual_dipolar_coupling_min_value
_Residual_dipolar_coupling_max_value
3DHNHA 9 SER H 9 SER HA 0.1756 $NMRPIPE ? ? . .
3DHNHA 10 LYS H 10 LYS HA 0.310605 $NMRPIPE ? ? . .
3DHNHA 11 MET H 11 MET HA 0.0702 $NMRPIPE ? ? . .
3DHNHA 12 ILE H 12 ILE HA 0.2865 $NMRPIPE ? ? . .
3DHNHA 13 LYS H 13 LYS HA 0.1933 $NMRPIPE ? ? . .
3DHNHA 14 VAL H 14 VAL HA -0.3306 $NMRPIPE ? ? . .
3DHNHA 15 LYS H 15 LYS HA 0.1326 $NMRPIPE ? ? . .
3DHNHA 16 VAL H 16 VAL HA -0.4324 $NMRPIPE ? ? . .
3DHNHA 17 ILE H 17 ILE HA 0.122649 $NMRPIPE ? ? . .
3DHNHA 18 GLY H 18 GLY HA -13.356 $NMRPIPE ? ? . .
3DHNHA 19 ARG H 19 ARG HA 0.1115 $NMRPIPE ? ? . .
3DHNHA 20 ASN H 20 ASN HA -0.7971 $NMRPIPE ? ? . .
3DHNHA 21 ILE H 21 ILE HA 0.0117 $NMRPIPE ? ? . .
3DHNHA 22 GLU H 22 GLU HA -0.2883 $NMRPIPE ? ? . .
3DHNHA 23 LYS H 23 LYS HA -0.0022 $NMRPIPE ? ? . .
3DHNHA 24 GLU H 24 GLU HA 0.1431 $NMRPIPE ? ? . .
3DHNHA 25 ILE H 25 ILE HA 0.2375 $NMRPIPE ? ? . .
3DHNHA 26 GLU H 26 GLU HA -0.0544 $NMRPIPE ? ? . .
3DHNHA 28 ARG H 28 ARG HA -0.1999 $NMRPIPE ? ? . .
3DHNHA 29 GLU H 29 GLU HA 0.1865 $NMRPIPE ? ? . .
3DHNHA 30 GLY H 30 GLY HA 0.003 $NMRPIPE ? ? . .
3DHNHA 31 MET H 31 MET HA -0.2317 $NMRPIPE ? ? . .
3DHNHA 32 LYS H 32 LYS HA 0.4715 $NMRPIPE ? ? . .
3DHNHA 33 VAL H 33 VAL HA 0.0558 $NMRPIPE ? ? . .
3DHNHA 34 ARG H 34 ARG HA -0.1571 $NMRPIPE ? ? . .
3DHNHA 35 ASP H 35 ASP HA 0.2032 $NMRPIPE ? ? . .
3DHNHA 36 ILE H 36 ILE HA 0.1587 $NMRPIPE ? ? . .
3DHNHA 37 LEU H 37 LEU HA -0.0696 $NMRPIPE ? ? . .
3DHNHA 38 ARG H 38 ARG HA 0.2119 $NMRPIPE ? ? . .
3DHNHA 39 ALA H 39 ALA HA 0.1224 $NMRPIPE ? ? . .
3DHNHA 40 VAL H 40 VAL HA 0.1994 $NMRPIPE ? ? . .
3DHNHA 41 GLY H 41 GLY HA -6.598 $NMRPIPE ? ? . .
3DHNHA 42 PHE H 42 PHE HA -0.4946 $NMRPIPE ? ? . .
3DHNHA 43 ASN H 43 ASN HA 0.0224 $NMRPIPE ? ? . .
3DHNHA 44 THR H 44 THR HA 0.324 $NMRPIPE ? ? . .
3DHNHA 45 GLU H 45 GLU HA -0.1082 $NMRPIPE ? ? . .
3DHNHA 46 SER H 46 SER HA -0.1887 $NMRPIPE ? ? . .
3DHNHA 47 ALA H 47 ALA HA 0.2536 $NMRPIPE ? ? . .
3DHNHA 48 ILE H 48 ILE HA 0.0283 $NMRPIPE ? ? . .
3DHNHA 49 ALA H 49 ALA HA -0.0242 $NMRPIPE ? ? . .
3DHNHA 50 LYS H 50 LYS HA 0.3038 $NMRPIPE ? ? . .
3DHNHA 51 VAL H 51 VAL HA -0.2105 $NMRPIPE ? ? . .
3DHNHA 52 ASN H 52 ASN HA 0.8053 $NMRPIPE ? ? . .
3DHNHA 53 GLY H 53 GLY HA -1.179 $NMRPIPE ? ? . .
3DHNHA 54 LYS H 54 LYS HA -0.1724 $NMRPIPE ? ? . .
3DHNHA 55 VAL H 55 VAL HA 0.2457 $NMRPIPE ? ? . .
3DHNHA 56 VAL H 56 VAL HA 0.0394 $NMRPIPE ? ? . .
3DHNHA 57 LEU H 57 LEU HA -0.2718 $NMRPIPE ? ? . .
3DHNHA 58 GLU H 58 GLU HA 0.0995 $NMRPIPE ? ? . .
3DHNHA 59 ASP H 59 ASP HA -0.245 $NMRPIPE ? ? . .
3DHNHA 60 ASP H 60 ASP HA -0.1148 $NMRPIPE ? ? . .
3DHNHA 61 GLU H 61 GLU HA 0.352 $NMRPIPE ? ? . .
3DHNHA 62 VAL H 62 VAL HA 0.5453 $NMRPIPE ? ? . .
3DHNHA 63 LYS H 63 LYS HA -0.3801 $NMRPIPE ? ? . .
3DHNHA 65 GLY H 65 GLY HA 14.306 $NMRPIPE ? ? . .
3DHNHA 66 ASP H 66 ASP HA 0.2017 $NMRPIPE ? ? . .
3DHNHA 67 PHE H 67 PHE HA -0.14057 $NMRPIPE ? ? . .
3DHNHA 68 VAL H 68 VAL HA -0.0821 $NMRPIPE ? ? . .
3DHNHA 69 GLU H 69 GLU HA -0.1232 $NMRPIPE ? ? . .
3DHNHA 70 VAL H 70 VAL HA -0.2719 $NMRPIPE ? ? . .
3DHNHA 71 ILE H 71 ILE HA 0.1104 $NMRPIPE ? ? . .
3DHNHA 74 VAL H 74 VAL HA 0.1157 $NMRPIPE ? ? . .
3DHNHA 75 SER H 75 SER HA 0.0659 $NMRPIPE ? ? . .
3DHNHA 76 GLY H 76 GLY HA -0.457 $NMRPIPE ? ? . .
3DHNHA 77 GLY H 77 GLY HA 1.302 $NMRPIPE ? ? . .
stop_
_Details .
_Sample_conditions_label $sample_cond_1
_Spectrometer_frequency_1H 600
_Text_data_format .
_Text_data .
save_
save_residual_dipolar_couplings_2
_Saveframe_category residual_dipolar_couplings
loop_
_Sample_label
$sample_1
$sample_2
$sample_1
$sample_2
stop_
loop_
_Residual_dipolar_coupling_ID
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
_Residual_dipolar_coupling_value
_Software_label
_Atom_one_mol_system_component_name
_Atom_two_mol_system_component_name
_Residual_dipolar_coupling_min_value
_Residual_dipolar_coupling_max_value
1DHNN 9 SER H 9 SER N -4.005 $NMRPIPE ? ? . .
1DHNN 10 LYS H 10 LYS N -6.104 $NMRPIPE ? ? . .
1DHNN 11 MET H 11 MET N -7.25 $NMRPIPE ? ? . .
1DHNN 12 ILE H 12 ILE N -12.635 $NMRPIPE ? ? . .
1DHNN 13 LYS H 13 LYS N -8.995 $NMRPIPE ? ? . .
1DHNN 14 VAL H 14 VAL N -3.539 $NMRPIPE ? ? . .
1DHNN 15 LYS H 15 LYS N -4.353 $NMRPIPE ? ? . .
1DHNN 16 VAL H 16 VAL N -1.236 $NMRPIPE ? ? . .
1DHNN 17 ILE H 17 ILE N -3.786 $NMRPIPE ? ? . .
1DHNN 18 GLY H 18 GLY N 3.218 $NMRPIPE ? ? . .
1DHNN 19 ARG H 19 ARG N 0.936 $NMRPIPE ? ? . .
1DHNN 20 ASN H 20 ASN N -5.459 $NMRPIPE ? ? . .
1DHNN 21 ILE H 21 ILE N -1.727 $NMRPIPE ? ? . .
1DHNN 22 GLU H 22 GLU N -6.594 $NMRPIPE ? ? . .
1DHNN 23 LYS H 23 LYS N -3.727 $NMRPIPE ? ? . .
1DHNN 24 GLU H 24 GLU N -5.521 $NMRPIPE ? ? . .
1DHNN 25 ILE H 25 ILE N -12.934 $NMRPIPE ? ? . .
1DHNN 26 GLU H 26 GLU N -9.353 $NMRPIPE ? ? . .
1DHNN 27 TRP H 27 TRP N 5.604 $NMRPIPE ? ? . .
1DHNN 28 ARG H 28 ARG N 9.419 $NMRPIPE ? ? . .
1DHNN 29 GLU H 29 GLU N 10.407 $NMRPIPE ? ? . .
1DHNN 30 GLY H 30 GLY N -9.083 $NMRPIPE ? ? . .
1DHNN 31 MET H 31 MET N 12.624 $NMRPIPE ? ? . .
1DHNN 32 LYS H 32 LYS N -13.404 $NMRPIPE ? ? . .
1DHNN 33 VAL H 33 VAL N -7 $NMRPIPE ? ? . .
1DHNN 34 ARG H 34 ARG N -4.465 $NMRPIPE ? ? . .
1DHNN 35 ASP H 35 ASP N -3.004 $NMRPIPE ? ? . .
1DHNN 36 ILE H 36 ILE N -3.32 $NMRPIPE ? ? . .
1DHNN 37 LEU H 37 LEU N -6.419 $NMRPIPE ? ? . .
1DHNN 38 ARG H 38 ARG N -0.721 $NMRPIPE ? ? . .
1DHNN 39 ALA H 39 ALA N -9.935 $NMRPIPE ? ? . .
1DHNN 40 VAL H 40 VAL N -5.655 $NMRPIPE ? ? . .
1DHNN 41 GLY H 41 GLY N 3.466 $NMRPIPE ? ? . .
1DHNN 42 PHE H 42 PHE N 14.948 $NMRPIPE ? ? . .
1DHNN 43 ASN H 43 ASN N 3.914 $NMRPIPE ? ? . .
1DHNN 44 THR H 44 THR N -5.295 $NMRPIPE ? ? . .
1DHNN 45 GLU H 45 GLU N -4.789 $NMRPIPE ? ? . .
1DHNN 46 SER H 46 SER N 6.158 $NMRPIPE ? ? . .
1DHNN 47 ALA H 47 ALA N -4.65 $NMRPIPE ? ? . .
1DHNN 48 ILE H 48 ILE N -5.035 $NMRPIPE ? ? . .
1DHNN 49 ALA H 49 ALA N -4.232 $NMRPIPE ? ? . .
1DHNN 50 LYS H 50 LYS N -4.216 $NMRPIPE ? ? . .
1DHNN 51 VAL H 51 VAL N -3.678 $NMRPIPE ? ? . .
1DHNN 52 ASN H 52 ASN N -7.566 $NMRPIPE ? ? . .
1DHNN 53 GLY H 53 GLY N -10.005 $NMRPIPE ? ? . .
1DHNN 54 LYS H 54 LYS N 7.886 $NMRPIPE ? ? . .
1DHNN 55 VAL H 55 VAL N -8.074 $NMRPIPE ? ? . .
1DHNN 56 VAL H 56 VAL N -3.137 $NMRPIPE ? ? . .
1DHNN 57 LEU H 57 LEU N 6.296 $NMRPIPE ? ? . .
1DHNN 58 GLU H 58 GLU N 17.042 $NMRPIPE ? ? . .
1DHNN 59 ASP H 59 ASP N 4.691 $NMRPIPE ? ? . .
1DHNN 60 ASP H 60 ASP N 4.955 $NMRPIPE ? ? . .
1DHNN 61 GLU H 61 GLU N -7.066 $NMRPIPE ? ? . .
1DHNN 62 VAL H 62 VAL N -7.431 $NMRPIPE ? ? . .
1DHNN 63 LYS H 63 LYS N -2.933 $NMRPIPE ? ? . .
1DHNN 64 ASP H 64 ASP N 0.887 $NMRPIPE ? ? . .
1DHNN 65 GLY H 65 GLY N -9.775 $NMRPIPE ? ? . .
1DHNN 66 ASP H 66 ASP N -8.685 $NMRPIPE ? ? . .
1DHNN 67 PHE H 67 PHE N -9.715 $NMRPIPE ? ? . .
1DHNN 68 VAL H 68 VAL N -1.18 $NMRPIPE ? ? . .
1DHNN 69 GLU H 69 GLU N -5.393 $NMRPIPE ? ? . .
1DHNN 70 VAL H 70 VAL N -0.608 $NMRPIPE ? ? . .
1DHNN 71 ILE H 71 ILE N -4.315 $NMRPIPE ? ? . .
1DHNN 73 VAL H 73 VAL N -7.076 $NMRPIPE ? ? . .
1DHNN 74 VAL H 74 VAL N -6.633 $NMRPIPE ? ? . .
1DHNN 75 SER H 75 SER N -3.259 $NMRPIPE ? ? . .
1DHNN 76 GLY H 76 GLY N -2.389 $NMRPIPE ? ? . .
1DHNN 77 GLY H 77 GLY N 0.004 $NMRPIPE ? ? . .
stop_
_Details .
_Sample_conditions_label $sample_cond_1
_Spectrometer_frequency_1H 600
_Text_data_format .
_Text_data .
save_
save_residual_dipolar_couplings_3
_Saveframe_category residual_dipolar_couplings
loop_
_Sample_label
$sample_1
$sample_2
$sample_1
$sample_2
stop_
loop_
_Residual_dipolar_coupling_ID
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
_Residual_dipolar_coupling_value
_Software_label
_Atom_one_mol_system_component_name
_Atom_two_mol_system_component_name
_Residual_dipolar_coupling_min_value
_Residual_dipolar_coupling_max_value
1DHACA 9 SER HA 9 SER CA 4.4445 $NMRPIPE ? ? . .
1DHACA 10 LYS HA 10 LYS CA 6.7865 $NMRPIPE ? ? . .
1DHACA 11 MET HA 11 MET CA 7.3445 $NMRPIPE ? ? . .
1DHACA 12 ILE HA 12 ILE CA 9.837 $NMRPIPE ? ? . .
1DHACA 13 LYS HA 13 LYS CA 7.167 $NMRPIPE ? ? . .
1DHACA 14 VAL HA 14 VAL CA 5.1855 $NMRPIPE ? ? . .
1DHACA 15 LYS HA 15 LYS CA 6.5205 $NMRPIPE ? ? . .
1DHACA 16 VAL HA 16 VAL CA 5.283 $NMRPIPE ? ? . .
1DHACA 17 ILE HA 17 ILE CA -4.291 $NMRPIPE ? ? . .
1DHACA 18 GLY HA 18 GLY CA -12.033 $NMRPIPE ? ? . .
1DHACA 19 ARG HA 19 ARG CA -6.2735 $NMRPIPE ? ? . .
1DHACA 20 ASN HA 20 ASN CA 8.764 $NMRPIPE ? ? . .
1DHACA 21 ILE HA 21 ILE CA 1.161 $NMRPIPE ? ? . .
1DHACA 22 GLU HA 22 GLU CA 4.663 $NMRPIPE ? ? . .
1DHACA 23 LYS HA 23 LYS CA 1.2035 $NMRPIPE ? ? . .
1DHACA 24 GLU HA 24 GLU CA 4.1135 $NMRPIPE ? ? . .
1DHACA 25 ILE HA 25 ILE CA 9.862 $NMRPIPE ? ? . .
1DHACA 26 GLU HA 26 GLU CA 1.816 $NMRPIPE ? ? . .
1DHACA 28 ARG HA 28 ARG CA -15.3065 $NMRPIPE ? ? . .
1DHACA 29 GLU HA 29 GLU CA 9.0355 $NMRPIPE ? ? . .
1DHACA 30 GLY HA 30 GLY CA 34.146 $NMRPIPE ? ? . .
1DHACA 31 MET HA 31 MET CA 4.4555 $NMRPIPE ? ? . .
1DHACA 32 LYS HA 32 LYS CA 8.434 $NMRPIPE ? ? . .
1DHACA 33 VAL HA 33 VAL CA -0.2985 $NMRPIPE ? ? . .
1DHACA 34 ARG HA 34 ARG CA -8.422 $NMRPIPE ? ? . .
1DHACA 35 ASP HA 35 ASP CA 4.8745 $NMRPIPE ? ? . .
1DHACA 36 ILE HA 36 ILE CA -0.3355 $NMRPIPE ? ? . .
1DHACA 37 LEU HA 37 LEU CA 5.346 $NMRPIPE ? ? . .
1DHACA 38 ARG HA 38 ARG CA -13.69 $NMRPIPE ? ? . .
1DHACA 39 ALA HA 39 ALA CA 12.2565 $NMRPIPE ? ? . .
1DHACA 40 VAL HA 40 VAL CA 1.658 $NMRPIPE ? ? . .
1DHACA 41 GLY HA 41 GLY CA 32.708 $NMRPIPE ? ? . .
1DHACA 42 PHE HA 42 PHE CA -10.5 $NMRPIPE ? ? . .
1DHACA 43 ASN HA 43 ASN CA -13.697 $NMRPIPE ? ? . .
1DHACA 44 THR HA 44 THR CA 2.258 $NMRPIPE ? ? . .
1DHACA 45 GLU HA 45 GLU CA 3.5775 $NMRPIPE ? ? . .
1DHACA 46 SER HA 46 SER CA -16.122 $NMRPIPE ? ? . .
1DHACA 47 ALA HA 47 ALA CA 0.971 $NMRPIPE ? ? . .
1DHACA 48 ILE HA 48 ILE CA 4.5855 $NMRPIPE ? ? . .
1DHACA 49 ALA HA 49 ALA CA 4.625 $NMRPIPE ? ? . .
1DHACA 50 LYS HA 50 LYS CA 3.643 $NMRPIPE ? ? . .
1DHACA 51 VAL HA 51 VAL CA 5.115 $NMRPIPE ? ? . .
1DHACA 52 ASN HA 52 ASN CA 0.1165 $NMRPIPE ? ? . .
1DHACA 53 GLY HA 53 GLY CA 9.87 $NMRPIPE ? ? . .
1DHACA 54 LYS HA 54 LYS CA -0.1735 $NMRPIPE ? ? . .
1DHACA 55 VAL HA 55 VAL CA 6.1345 $NMRPIPE ? ? . .
1DHACA 56 VAL HA 56 VAL CA 6.7405 $NMRPIPE ? ? . .
1DHACA 57 LEU HA 57 LEU CA -9.385 $NMRPIPE ? ? . .
1DHACA 58 GLU HA 58 GLU CA 0.7695 $NMRPIPE ? ? . .
1DHACA 59 ASP HA 59 ASP CA 6.8215 $NMRPIPE ? ? . .
1DHACA 60 ASP HA 60 ASP CA 2.681 $NMRPIPE ? ? . .
1DHACA 61 GLU HA 61 GLU CA 11.4045 $NMRPIPE ? ? . .
1DHACA 62 VAL HA 62 VAL CA 9.794 $NMRPIPE ? ? . .
1DHACA 63 LYS HA 63 LYS CA 6.3445 $NMRPIPE ? ? . .
1DHACA 65 GLY HA 65 GLY CA 2.626 $NMRPIPE ? ? . .
1DHACA 66 ASP HA 66 ASP CA 10.794 $NMRPIPE ? ? . .
1DHACA 67 PHE HA 67 PHE CA -10.5925 $NMRPIPE ? ? . .
1DHACA 68 VAL HA 68 VAL CA 5.5565 $NMRPIPE ? ? . .
1DHACA 69 GLU HA 69 GLU CA 3.0955 $NMRPIPE ? ? . .
1DHACA 70 VAL HA 70 VAL CA 1.293 $NMRPIPE ? ? . .
1DHACA 71 ILE HA 71 ILE CA 2.4135 $NMRPIPE ? ? . .
1DHACA 74 VAL HA 74 VAL CA 3.5175 $NMRPIPE ? ? . .
1DHACA 75 SER HA 75 SER CA 1.3465 $NMRPIPE ? ? . .
1DHACA 76 GLY HA 76 GLY CA -1.249 $NMRPIPE ? ? . .
1DHACA 77 GLY HA 77 GLY CA 2.173 $NMRPIPE ? ? . .
stop_
_Details .
_Sample_conditions_label $sample_cond_1
_Spectrometer_frequency_1H 600
_Text_data_format .
_Text_data .
save_
save_residual_dipolar_couplings_4
_Saveframe_category residual_dipolar_couplings
loop_
_Sample_label
$sample_1
$sample_2
$sample_1
$sample_2
stop_
loop_
_Residual_dipolar_coupling_ID
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
_Residual_dipolar_coupling_value
_Software_label
_Atom_one_mol_system_component_name
_Atom_two_mol_system_component_name
_Residual_dipolar_coupling_min_value
_Residual_dipolar_coupling_max_value
1DNC'(i-1) 10 LYS N 9 SER C 15.34085 $NMRPIPE ? ? . .
1DNC'(i-1) 11 MET N 10 LYS C -11.75994 $NMRPIPE ? ? . .
1DNC'(i-1) 12 ILE N 11 MET C 7.92266 $NMRPIPE ? ? . .
1DNC'(i-1) 13 LYS N 12 ILE C -9.25413 $NMRPIPE ? ? . .
1DNC'(i-1) 14 VAL N 13 LYS C -7.7738 $NMRPIPE ? ? . .
1DNC'(i-1) 15 LYS N 14 VAL C 0.43831 $NMRPIPE ? ? . .
1DNC'(i-1) 16 VAL N 15 LYS C 4.99508 $NMRPIPE ? ? . .
1DNC'(i-1) 17 ILE N 16 VAL C -5.16875 $NMRPIPE ? ? . .
1DNC'(i-1) 18 GLY N 17 ILE C 0.9924 $NMRPIPE ? ? . .
1DNC'(i-1) 19 ARG N 18 GLY C -9.74206 $NMRPIPE ? ? . .
1DNC'(i-1) 20 ASN N 19 ARG C 4.86276 $NMRPIPE ? ? . .
1DNC'(i-1) 21 ILE N 20 ASN C -4.26732 $NMRPIPE ? ? . .
1DNC'(i-1) 22 GLU N 21 ILE C 9.50223 $NMRPIPE ? ? . .
1DNC'(i-1) 23 LYS N 22 GLU C -3.7215 $NMRPIPE ? ? . .
1DNC'(i-1) 24 GLU N 23 LYS C 10.86678 $NMRPIPE ? ? . .
1DNC'(i-1) 25 ILE N 24 GLU C 1.97653 $NMRPIPE ? ? . .
1DNC'(i-1) 26 GLU N 25 ILE C 2.49754 $NMRPIPE ? ? . .
1DNC'(i-1) 27 TRP N 26 GLU C -8.46021 $NMRPIPE ? ? . .
1DNC'(i-1) 28 ARG N 27 TRP C -24.93405 $NMRPIPE ? ? . .
1DNC'(i-1) 29 GLU N 28 ARG C 0.75257 $NMRPIPE ? ? . .
1DNC'(i-1) 30 GLY N 29 GLU C -1.83594 $NMRPIPE ? ? . .
1DNC'(i-1) 31 MET N 30 GLY C 8.79928 $NMRPIPE ? ? . .
1DNC'(i-1) 32 LYS N 31 MET C 22.20495 $NMRPIPE ? ? . .
1DNC'(i-1) 33 VAL N 32 LYS C -3.20049 $NMRPIPE ? ? . .
1DNC'(i-1) 34 ARG N 33 VAL C 3.45686 $NMRPIPE ? ? . .
1DNC'(i-1) 35 ASP N 34 ARG C 17.33392 $NMRPIPE ? ? . .
1DNC'(i-1) 36 ILE N 35 ASP C -10.73446 $NMRPIPE ? ? . .
1DNC'(i-1) 37 LEU N 36 ILE C 6.0371 $NMRPIPE ? ? . .
1DNC'(i-1) 38 ARG N 37 LEU C -2.90277 $NMRPIPE ? ? . .
1DNC'(i-1) 39 ALA N 38 ARG C 8.7662 $NMRPIPE ? ? . .
1DNC'(i-1) 40 VAL N 39 ALA C -11.45395 $NMRPIPE ? ? . .
1DNC'(i-1) 41 GLY N 40 VAL C -13.47183 $NMRPIPE ? ? . .
1DNC'(i-1) 42 PHE N 41 GLY C -1.83594 $NMRPIPE ? ? . .
1DNC'(i-1) 43 ASN N 42 PHE C -2.36522 $NMRPIPE ? ? . .
1DNC'(i-1) 44 THR N 43 ASN C -2.62159 $NMRPIPE ? ? . .
1DNC'(i-1) 45 GLU N 44 THR C -5.0447 $NMRPIPE ? ? . .
1DNC'(i-1) 46 SER N 45 GLU C 6.16942 $NMRPIPE ? ? . .
1DNC'(i-1) 47 ALA N 46 SER C -5.73938 $NMRPIPE ? ? . .
1DNC'(i-1) 48 ILE N 47 ALA C -9.0143 $NMRPIPE ? ? . .
1DNC'(i-1) 49 ALA N 48 ILE C -5.00335 $NMRPIPE ? ? . .
1DNC'(i-1) 50 LYS N 49 ALA C 16.64751 $NMRPIPE ? ? . .
1DNC'(i-1) 51 VAL N 50 LYS C 13.84398 $NMRPIPE ? ? . .
1DNC'(i-1) 52 ASN N 51 VAL C -7.71591 $NMRPIPE ? ? . .
1DNC'(i-1) 53 GLY N 52 ASN C 3.82074 $NMRPIPE ? ? . .
1DNC'(i-1) 54 LYS N 53 GLY C -4.04403 $NMRPIPE ? ? . .
1DNC'(i-1) 55 VAL N 54 LYS C 12.41327 $NMRPIPE ? ? . .
1DNC'(i-1) 56 VAL N 55 VAL C -5.56571 $NMRPIPE ? ? . .
1DNC'(i-1) 57 LEU N 56 VAL C -20.69154 $NMRPIPE ? ? . .
1DNC'(i-1) 58 GLU N 57 LEU C 1.02548 $NMRPIPE ? ? . .
1DNC'(i-1) 59 ASP N 58 GLU C -6.24385 $NMRPIPE ? ? . .
1DNC'(i-1) 60 ASP N 59 ASP C -8.46021 $NMRPIPE ? ? . .
1DNC'(i-1) 61 GLU N 60 ASP C 15.10102 $NMRPIPE ? ? . .
1DNC'(i-1) 62 VAL N 61 GLU C 2.68775 $NMRPIPE ? ? . .
1DNC'(i-1) 63 LYS N 62 VAL C 9.50223 $NMRPIPE ? ? . .
1DNC'(i-1) 64 ASP N 63 LYS C 17.20987 $NMRPIPE ? ? . .
1DNC'(i-1) 65 GLY N 64 ASP C -1.13299 $NMRPIPE ? ? . .
1DNC'(i-1) 66 ASP N 65 GLY C 3.01855 $NMRPIPE ? ? . .
1DNC'(i-1) 67 PHE N 66 ASP C -3.2253 $NMRPIPE ? ? . .
1DNC'(i-1) 68 VAL N 67 PHE C 9.68417 $NMRPIPE ? ? . .
1DNC'(i-1) 69 GLU N 68 VAL C 18.57442 $NMRPIPE ? ? . .
1DNC'(i-1) 70 VAL N 69 GLU C -6.10326 $NMRPIPE ? ? . .
1DNC'(i-1) 71 ILE N 70 VAL C 11.95015 $NMRPIPE ? ? . .
1DNC'(i-1) 73 VAL N 72 PRO C 1.71189 $NMRPIPE ? ? . .
1DNC'(i-1) 74 VAL N 73 VAL C -3.07644 $NMRPIPE ? ? . .
1DNC'(i-1) 75 SER N 74 VAL C -0.70295 $NMRPIPE ? ? . .
1DNC'(i-1) 76 GLY N 75 SER C -3.77939 $NMRPIPE ? ? . .
1DNC'(i-1) 77 GLY N 76 GLY C 1.67054 $NMRPIPE ? ? . .
stop_
_Details .
_Sample_conditions_label $sample_cond_1
_Spectrometer_frequency_1H 600
_Text_data_format .
_Text_data .
save_
save_residual_dipolar_couplings_5
_Saveframe_category residual_dipolar_couplings
loop_
_Sample_label
$sample_1
$sample_2
$sample_1
$sample_2
stop_
loop_
_Residual_dipolar_coupling_ID
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
_Residual_dipolar_coupling_value
_Software_label
_Atom_one_mol_system_component_name
_Atom_two_mol_system_component_name
_Residual_dipolar_coupling_min_value
_Residual_dipolar_coupling_max_value
2DHNC'(i-1) 10 LYS H 9 SER C 0.1992 $NMRPIPE ? ? . .
2DHNC'(i-1) 11 MET H 10 LYS C 2.7416 $NMRPIPE ? ? . .
2DHNC'(i-1) 12 ILE H 11 MET C 0.8696 $NMRPIPE ? ? . .
2DHNC'(i-1) 13 LYS H 12 ILE C -0.1268 $NMRPIPE ? ? . .
2DHNC'(i-1) 14 VAL H 13 LYS C -0.1468 $NMRPIPE ? ? . .
2DHNC'(i-1) 15 LYS H 14 VAL C -2.3232 $NMRPIPE ? ? . .
2DHNC'(i-1) 16 VAL H 15 LYS C 0.2732 $NMRPIPE ? ? . .
2DHNC'(i-1) 17 ILE H 16 VAL C -1.0308 $NMRPIPE ? ? . .
2DHNC'(i-1) 18 GLY H 17 ILE C -0.2312 $NMRPIPE ? ? . .
2DHNC'(i-1) 19 ARG H 18 GLY C -1.1212 $NMRPIPE ? ? . .
2DHNC'(i-1) 20 ASN H 19 ARG C 1.4732 $NMRPIPE ? ? . .
2DHNC'(i-1) 21 ILE H 20 ASN C 2.9356 $NMRPIPE ? ? . .
2DHNC'(i-1) 22 GLU H 21 ILE C 0.5704 $NMRPIPE ? ? . .
2DHNC'(i-1) 23 LYS H 22 GLU C -0.9484 $NMRPIPE ? ? . .
2DHNC'(i-1) 24 GLU H 23 LYS C -1.9592 $NMRPIPE ? ? . .
2DHNC'(i-1) 25 ILE H 24 GLU C -3.576 $NMRPIPE ? ? . .
2DHNC'(i-1) 26 GLU H 25 ILE C 1.2832 $NMRPIPE ? ? . .
2DHNC'(i-1) 27 TRP H 26 GLU C 0.2192 $NMRPIPE ? ? . .
2DHNC'(i-1) 28 ARG H 27 TRP C -0.928 $NMRPIPE ? ? . .
2DHNC'(i-1) 29 GLU H 28 ARG C -1.1812 $NMRPIPE ? ? . .
2DHNC'(i-1) 30 GLY H 29 GLU C 0.798 $NMRPIPE ? ? . .
2DHNC'(i-1) 31 MET H 30 GLY C -0.3292 $NMRPIPE ? ? . .
2DHNC'(i-1) 32 LYS H 31 MET C -1.9988 $NMRPIPE ? ? . .
2DHNC'(i-1) 33 VAL H 32 LYS C 2.082 $NMRPIPE ? ? . .
2DHNC'(i-1) 34 ARG H 33 VAL C -0.5824 $NMRPIPE ? ? . .
2DHNC'(i-1) 35 ASP H 34 ARG C -1.1992 $NMRPIPE ? ? . .
2DHNC'(i-1) 36 ILE H 35 ASP C 0.046 $NMRPIPE ? ? . .
2DHNC'(i-1) 37 LEU H 36 ILE C 0.384 $NMRPIPE ? ? . .
2DHNC'(i-1) 38 ARG H 37 LEU C 0.1276 $NMRPIPE ? ? . .
2DHNC'(i-1) 39 ALA H 38 ARG C 0.106 $NMRPIPE ? ? . .
2DHNC'(i-1) 40 VAL H 39 ALA C -1.1148 $NMRPIPE ? ? . .
2DHNC'(i-1) 41 GLY H 40 VAL C 1.0516 $NMRPIPE ? ? . .
2DHNC'(i-1) 42 PHE H 41 GLY C 1.5568 $NMRPIPE ? ? . .
2DHNC'(i-1) 43 ASN H 42 PHE C -1.9364 $NMRPIPE ? ? . .
2DHNC'(i-1) 44 THR H 43 ASN C -0.114 $NMRPIPE ? ? . .
2DHNC'(i-1) 45 GLU H 44 THR C 0.5996 $NMRPIPE ? ? . .
2DHNC'(i-1) 46 SER H 45 GLU C -0.992 $NMRPIPE ? ? . .
2DHNC'(i-1) 47 ALA H 46 SER C -0.2352 $NMRPIPE ? ? . .
2DHNC'(i-1) 48 ILE H 47 ALA C 1.8772 $NMRPIPE ? ? . .
2DHNC'(i-1) 49 ALA H 48 ILE C 0.8984 $NMRPIPE ? ? . .
2DHNC'(i-1) 50 LYS H 49 ALA C 0.3528 $NMRPIPE ? ? . .
2DHNC'(i-1) 51 VAL H 50 LYS C 0.2308 $NMRPIPE ? ? . .
2DHNC'(i-1) 52 ASN H 51 VAL C -0.9092 $NMRPIPE ? ? . .
2DHNC'(i-1) 53 GLY H 52 ASN C 0.0412 $NMRPIPE ? ? . .
2DHNC'(i-1) 54 LYS H 53 GLY C 0.264 $NMRPIPE ? ? . .
2DHNC'(i-1) 55 VAL H 54 LYS C -0.5548 $NMRPIPE ? ? . .
2DHNC'(i-1) 56 VAL H 55 VAL C 0.138 $NMRPIPE ? ? . .
2DHNC'(i-1) 57 LEU H 56 VAL C -0.37 $NMRPIPE ? ? . .
2DHNC'(i-1) 58 GLU H 57 LEU C -0.2604 $NMRPIPE ? ? . .
2DHNC'(i-1) 59 ASP H 58 GLU C 0.844 $NMRPIPE ? ? . .
2DHNC'(i-1) 60 ASP H 59 ASP C 0.3956 $NMRPIPE ? ? . .
2DHNC'(i-1) 61 GLU H 60 ASP C -0.6668 $NMRPIPE ? ? . .
2DHNC'(i-1) 62 VAL H 61 GLU C 0.5328 $NMRPIPE ? ? . .
2DHNC'(i-1) 63 LYS H 62 VAL C -2.0852 $NMRPIPE ? ? . .
2DHNC'(i-1) 64 ASP H 63 LYS C -1.7712 $NMRPIPE ? ? . .
2DHNC'(i-1) 65 GLY H 64 ASP C -1.006 $NMRPIPE ? ? . .
2DHNC'(i-1) 66 ASP H 65 GLY C -0.02 $NMRPIPE ? ? . .
2DHNC'(i-1) 67 PHE H 66 ASP C 0.386 $NMRPIPE ? ? . .
2DHNC'(i-1) 68 VAL H 67 PHE C -2.3292 $NMRPIPE ? ? . .
2DHNC'(i-1) 69 GLU H 68 VAL C -2.7272 $NMRPIPE ? ? . .
2DHNC'(i-1) 70 VAL H 69 GLU C 1.2212 $NMRPIPE ? ? . .
2DHNC'(i-1) 71 ILE H 70 VAL C -1.816 $NMRPIPE ? ? . .
2DHNC'(i-1) 73 VAL H 72 PRO C 0.4344 $NMRPIPE ? ? . .
2DHNC'(i-1) 74 VAL H 73 VAL C 0.4228 $NMRPIPE ? ? . .
2DHNC'(i-1) 75 SER H 74 VAL C 0.048 $NMRPIPE ? ? . .
2DHNC'(i-1) 76 GLY H 75 SER C 0.1484 $NMRPIPE ? ? . .
2DHNC'(i-1) 77 GLY H 76 GLY C -0.0708 $NMRPIPE ? ? . .
stop_
_Details .
_Sample_conditions_label $sample_cond_1
_Spectrometer_frequency_1H 600
_Text_data_format .
_Text_data .
save_
save_residual_dipolar_couplings_6
_Saveframe_category residual_dipolar_couplings
loop_
_Sample_label
$sample_1
$sample_2
$sample_1
$sample_2
stop_
loop_
_Residual_dipolar_coupling_ID
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
_Residual_dipolar_coupling_value
_Software_label
_Atom_one_mol_system_component_name
_Atom_two_mol_system_component_name
_Residual_dipolar_coupling_min_value
_Residual_dipolar_coupling_max_value
4DHNHA(i-1) 10 LYS H 9 SER HA -0.4118 $NMRPIPE ? ? . .
4DHNHA(i-1) 11 MET H 10 LYS HA -0.2512 $NMRPIPE ? ? . .
4DHNHA(i-1) 12 ILE H 11 MET HA -0.7174 $NMRPIPE ? ? . .
4DHNHA(i-1) 13 LYS H 12 ILE HA -0.225 $NMRPIPE ? ? . .
4DHNHA(i-1) 14 VAL H 13 LYS HA -1.367 $NMRPIPE ? ? . .
4DHNHA(i-1) 15 LYS H 14 VAL HA -0.2153 $NMRPIPE ? ? . .
4DHNHA(i-1) 16 VAL H 15 LYS HA -0.8575 $NMRPIPE ? ? . .
4DHNHA(i-1) 17 ILE H 16 VAL HA -0.363574 $NMRPIPE ? ? . .
4DHNHA(i-1) 18 GLY H 17 ILE HA 0.0552 $NMRPIPE ? ? . .
4DHNHA(i-1) 19 ARG H 18 GLY HA -3.898 $NMRPIPE ? ? . .
4DHNHA(i-1) 21 ILE H 20 ASN HA 0.459 $NMRPIPE ? ? . .
4DHNHA(i-1) 22 GLU H 21 ILE HA -0.8523 $NMRPIPE ? ? . .
4DHNHA(i-1) 23 LYS H 22 GLU HA -0.2725 $NMRPIPE ? ? . .
4DHNHA(i-1) 24 GLU H 23 LYS HA -0.2517 $NMRPIPE ? ? . .
4DHNHA(i-1) 25 ILE H 24 GLU HA 0.15 $NMRPIPE ? ? . .
4DHNHA(i-1) 26 GLU H 25 ILE HA -0.1986 $NMRPIPE ? ? . .
4DHNHA(i-1) 28 ARG H 27 TRP HA 0.0148 $NMRPIPE ? ? . .
4DHNHA(i-1) 29 GLU H 28 ARG HA 0.3463 $NMRPIPE ? ? . .
4DHNHA(i-1) 30 GLY H 29 GLU HA -0.8527 $NMRPIPE ? ? . .
4DHNHA(i-1) 31 MET H 30 GLY HA 2.609 $NMRPIPE ? ? . .
4DHNHA(i-1) 32 LYS H 31 MET HA 0.4387 $NMRPIPE ? ? . .
4DHNHA(i-1) 33 VAL H 32 LYS HA -0.0954 $NMRPIPE ? ? . .
4DHNHA(i-1) 34 ARG H 33 VAL HA 0.0394 $NMRPIPE ? ? . .
4DHNHA(i-1) 35 ASP H 34 ARG HA 0.1749 $NMRPIPE ? ? . .
4DHNHA(i-1) 36 ILE H 35 ASP HA 0.0772 $NMRPIPE ? ? . .
4DHNHA(i-1) 37 LEU H 36 ILE HA -0.4423 $NMRPIPE ? ? . .
4DHNHA(i-1) 38 ARG H 37 LEU HA 0.1996 $NMRPIPE ? ? . .
4DHNHA(i-1) 39 ALA H 38 ARG HA -0.1765 $NMRPIPE ? ? . .
4DHNHA(i-1) 40 VAL H 39 ALA HA -0.3701 $NMRPIPE ? ? . .
4DHNHA(i-1) 41 GLY H 40 VAL HA -0.0083 $NMRPIPE ? ? . .
4DHNHA(i-1) 42 PHE H 41 GLY HA 2.048 $NMRPIPE ? ? . .
4DHNHA(i-1) 43 ASN H 42 PHE HA 0.2042 $NMRPIPE ? ? . .
4DHNHA(i-1) 44 THR H 43 ASN HA 0.0261 $NMRPIPE ? ? . .
4DHNHA(i-1) 45 GLU H 44 THR HA -0.1793 $NMRPIPE ? ? . .
4DHNHA(i-1) 47 ALA H 46 SER HA 0.3327 $NMRPIPE ? ? . .
4DHNHA(i-1) 48 ILE H 47 ALA HA 0.1051 $NMRPIPE ? ? . .
4DHNHA(i-1) 49 ALA H 48 ILE HA -0.7975 $NMRPIPE ? ? . .
4DHNHA(i-1) 50 LYS H 49 ALA HA -0.0932 $NMRPIPE ? ? . .
4DHNHA(i-1) 51 VAL H 50 LYS HA -1.0389 $NMRPIPE ? ? . .
4DHNHA(i-1) 52 ASN H 51 VAL HA -0.3112 $NMRPIPE ? ? . .
4DHNHA(i-1) 53 GLY H 52 ASN HA -0.4475 $NMRPIPE ? ? . .
4DHNHA(i-1) 54 LYS H 53 GLY HA -0.179 $NMRPIPE ? ? . .
4DHNHA(i-1) 55 VAL H 54 LYS HA -0.3173 $NMRPIPE ? ? . .
4DHNHA(i-1) 56 VAL H 55 VAL HA 0.766 $NMRPIPE ? ? . .
4DHNHA(i-1) 57 LEU H 56 VAL HA 0.3826 $NMRPIPE ? ? . .
4DHNHA(i-1) 58 GLU H 57 LEU HA 0.6215 $NMRPIPE ? ? . .
4DHNHA(i-1) 59 ASP H 58 GLU HA 0.0345 $NMRPIPE ? ? . .
4DHNHA(i-1) 60 ASP H 59 ASP HA 0.0362 $NMRPIPE ? ? . .
4DHNHA(i-1) 61 GLU H 60 ASP HA -0.7971 $NMRPIPE ? ? . .
4DHNHA(i-1) 62 VAL H 61 GLU HA -0.1556 $NMRPIPE ? ? . .
4DHNHA(i-1) 63 LYS H 62 VAL HA -0.7253 $NMRPIPE ? ? . .
4DHNHA(i-1) 65 GLY H 64 ASP HA 0.2861 $NMRPIPE ? ? . .
4DHNHA(i-1) 66 ASP H 65 GLY HA -3.475 $NMRPIPE ? ? . .
4DHNHA(i-1) 67 PHE H 66 ASP HA -0.5501 $NMRPIPE ? ? . .
4DHNHA(i-1) 68 VAL H 67 PHE HA -0.7739 $NMRPIPE ? ? . .
4DHNHA(i-1) 69 GLU H 68 VAL HA -0.4725 $NMRPIPE ? ? . .
4DHNHA(i-1) 70 VAL H 69 GLU HA -0.3896 $NMRPIPE ? ? . .
4DHNHA(i-1) 71 ILE H 70 VAL HA -1.1169 $NMRPIPE ? ? . .
4DHNHA(i-1) 74 VAL H 73 VAL HA -0.4986 $NMRPIPE ? ? . .
4DHNHA(i-1) 75 SER H 74 VAL HA -0.2466 $NMRPIPE ? ? . .
4DHNHA(i-1) 76 GLY H 75 SER HA -0.3387 $NMRPIPE ? ? . .
4DHNHA(i-1) 77 GLY H 76 GLY HA -1.329 $NMRPIPE ? ? . .
stop_
_Details .
_Sample_conditions_label $sample_cond_1
_Spectrometer_frequency_1H 600
_Text_data_format .
_Text_data .
save_