data_5330
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone relaxation data of rat apo cellular retinol-binding protein type I
(CRBP-I)
;
_BMRB_accession_number 5330
_BMRB_flat_file_name bmr5330.str
_Entry_type original
_Submission_date 2002-03-19
_Accession_date 2002-03-20
_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 Franzoni Lorella . .
2 Luecke Christian . .
3 Perez Carlos . .
4 Cavazzini Davide . .
5 Rademacher Martin . .
6 Ludwig Christian . .
7 Spisni Alberto . .
8 Rossi 'Gian Luigi' . .
9 Rueterjans Heinz . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
T1_relaxation 2
T2_relaxation 2
heteronucl_NOE 2
S2_parameters 1
stop_
loop_
_Data_type
_Data_type_count
"T1 relaxation values" 171
"T2 relaxation values" 152
"order parameters" 89
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2002-06-26 update author 'Add the PubMed ID of the citation.'
2002-06-13 original author 'Original release.'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
5048 'chemical shift assignments of the apo protein'
5319 'chemical shift assignments of the holo protein'
5331 'relaxation data of the holo protein'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structure and backbone dynamics of apo- and holo-cellular retinol-binding
protein in solution
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 11934897
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Franzoni Lorella . .
2 Luecke Christian . .
3 Perez Carlos . .
4 Cavazzini Davide . .
5 Rademacher Martin . .
6 Ludwig Christian . .
7 Spisni Alberto . .
8 Rossi 'Gian Luigi' . .
9 Rueterjans Heinz . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_volume 277
_Journal_issue 24
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 21983
_Page_last 21997
_Year 2002
_Details .
loop_
_Keyword
'beta barrel'
'lipid binding protein'
'retinoid carrier'
'apo form'
'15N isotope enrichment'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_CRBP-I
_Saveframe_category molecular_system
_Mol_system_name 'cellular retinol-binding protein type I'
_Abbreviation_common CRBP-I
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'cellular retinol-binding protein type I' $CRBP-I
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
'lipid binding'
'retinoid carrier'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_CRBP-I
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'cellular retinol-binding protein type I'
_Abbreviation_common CRBP-I
_Molecular_mass 15703
_Mol_thiol_state 'all free'
_Details 'The above molecular mass excludes MET 0.'
##############################
# Polymer residue sequence #
##############################
_Residue_count 135
_Mol_residue_sequence
;
MPVDFNGYWKMLSNENFEEY
LRALDVNVALRKIANLLKPD
KEIVQDGDHMIIRTLSTFRN
YIMDFQVGKEFEEDLTGIDD
RKCMTTVSWDGDKLQCVQKG
EKEGRGWTQWIEGDELHLEM
RAEGVTCKQVFKKVH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 0 MET 2 1 PRO 3 2 VAL 4 3 ASP 5 4 PHE
6 5 ASN 7 6 GLY 8 7 TYR 9 8 TRP 10 9 LYS
11 10 MET 12 11 LEU 13 12 SER 14 13 ASN 15 14 GLU
16 15 ASN 17 16 PHE 18 17 GLU 19 18 GLU 20 19 TYR
21 20 LEU 22 21 ARG 23 22 ALA 24 23 LEU 25 24 ASP
26 25 VAL 27 26 ASN 28 27 VAL 29 28 ALA 30 29 LEU
31 30 ARG 32 31 LYS 33 32 ILE 34 33 ALA 35 34 ASN
36 35 LEU 37 36 LEU 38 37 LYS 39 38 PRO 40 39 ASP
41 40 LYS 42 41 GLU 43 42 ILE 44 43 VAL 45 44 GLN
46 45 ASP 47 46 GLY 48 47 ASP 49 48 HIS 50 49 MET
51 50 ILE 52 51 ILE 53 52 ARG 54 53 THR 55 54 LEU
56 55 SER 57 56 THR 58 57 PHE 59 58 ARG 60 59 ASN
61 60 TYR 62 61 ILE 63 62 MET 64 63 ASP 65 64 PHE
66 65 GLN 67 66 VAL 68 67 GLY 69 68 LYS 70 69 GLU
71 70 PHE 72 71 GLU 73 72 GLU 74 73 ASP 75 74 LEU
76 75 THR 77 76 GLY 78 77 ILE 79 78 ASP 80 79 ASP
81 80 ARG 82 81 LYS 83 82 CYS 84 83 MET 85 84 THR
86 85 THR 87 86 VAL 88 87 SER 89 88 TRP 90 89 ASP
91 90 GLY 92 91 ASP 93 92 LYS 94 93 LEU 95 94 GLN
96 95 CYS 97 96 VAL 98 97 GLN 99 98 LYS 100 99 GLY
101 100 GLU 102 101 LYS 103 102 GLU 104 103 GLY 105 104 ARG
106 105 GLY 107 106 TRP 108 107 THR 109 108 GLN 110 109 TRP
111 110 ILE 112 111 GLU 113 112 GLY 114 113 ASP 115 114 GLU
116 115 LEU 117 116 HIS 118 117 LEU 119 118 GLU 120 119 MET
121 120 ARG 122 121 ALA 123 122 GLU 124 123 GLY 125 124 VAL
126 125 THR 127 126 CYS 128 127 LYS 129 128 GLN 130 129 VAL
131 130 PHE 132 131 LYS 133 132 LYS 134 133 VAL 135 134 HIS
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
BMRB 5048 CRBP-I 100.00 135 100.00 100.00 1.89e-94
BMRB 5319 CRBP-I 100.00 135 100.00 100.00 1.89e-94
BMRB 5331 CRBP-I 100.00 135 100.00 100.00 1.89e-94
BMRB 5578 CRBP_I 99.26 134 100.00 100.00 1.01e-93
BMRB 5579 CRBP_I 99.26 134 100.00 100.00 1.01e-93
PDB 1CRB "Crystallographic Studies On A Family Of Cellular Lipophilic Transport Proteins. Refinement Of P2 Myelin Protein And The Structu" 99.26 134 100.00 100.00 1.01e-93
PDB 1JBH "Solution Structure Of Cellular Retinol Binding Protein Type- I In The Ligand-Free State" 100.00 135 100.00 100.00 1.89e-94
PDB 1KGL "Solution Structure Of Cellular Retinol Binding Protein Type- I In Complex With All-Trans-Retinol" 100.00 135 100.00 100.00 1.89e-94
PDB 1MX7 "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" 99.26 134 100.00 100.00 1.01e-93
PDB 1MX8 "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" 99.26 134 100.00 100.00 1.01e-93
DBJ BAB27753 "unnamed protein product [Mus musculus]" 100.00 135 99.26 99.26 1.22e-93
EMBL CAA42919 "cellular retinol binding protein I [Mus musculus]" 100.00 135 99.26 99.26 1.22e-93
GB AAA35714 "retinol-binding protein, partial [Homo sapiens]" 89.63 121 98.35 98.35 1.60e-81
GB AAA40962 "cytosolic retinol-binding protein [Rattus norvegicus]" 100.00 135 100.00 100.00 1.89e-94
GB AAA42021 "cellular retinol binding protein [Rattus norvegicus]" 100.00 135 100.00 100.00 1.89e-94
GB AAH18254 "Retinol binding protein 1, cellular [Mus musculus]" 100.00 135 99.26 99.26 1.22e-93
GB AAH91751 "Rbp1 protein [Mus musculus]" 100.00 135 99.26 99.26 1.22e-93
REF NP_035384 "retinol-binding protein 1 [Mus musculus]" 100.00 135 99.26 99.26 1.22e-93
REF NP_036865 "retinol-binding protein 1 [Rattus norvegicus]" 100.00 135 100.00 100.00 1.89e-94
REF XP_005080789 "PREDICTED: retinol-binding protein 1 [Mesocricetus auratus]" 100.00 135 98.52 99.26 2.93e-93
REF XP_005366741 "PREDICTED: retinol-binding protein 1 [Microtus ochrogaster]" 100.00 135 97.78 99.26 9.11e-93
REF XP_006083819 "PREDICTED: retinol-binding protein 1 [Myotis lucifugus]" 100.00 135 97.04 97.78 7.92e-92
SP P02696 "RecName: Full=Retinol-binding protein 1; AltName: Full=Cellular retinol-binding protein; Short=CRBP; AltName: Full=Cellular ret" 100.00 135 100.00 100.00 1.89e-94
SP Q00915 "RecName: Full=Retinol-binding protein 1; AltName: Full=Cellular retinol-binding protein; Short=CRBP; AltName: Full=Cellular ret" 100.00 135 99.26 99.26 1.22e-93
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$CRBP-I Rat 10116 Eukaryota Metazoa Rattus norvegicus
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
$CRBP-I 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pET11b
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
$CRBP-I 1.6 mM [U-15N]
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name XWINNMR
_Version 1.3
loop_
_Task
'data acquisition'
'data processing'
stop_
_Details Bruker
save_
save_RMX
_Saveframe_category software
_Name RMX
_Version 'rev. II/1997'
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_ModelFree
_Saveframe_category software
_Name MODELFREE
_Version 4.01
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 500
_Details .
save_
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_15N_T1_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N T1'
_Sample_label .
save_
save_15N_T2_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N T2'
_Sample_label .
save_
save_{1H}-15N_NOE_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '{1H}-15N NOE'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N T1'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N T2'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '{1H}-15N NOE'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_cond_set_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.0 0.1 n/a
temperature 298 0.1 K
stop_
save_
save_15N_T1_500
_Saveframe_category T1_relaxation
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_set_1
_Spectrometer_frequency_1H 500
_T1_coherence_type Nz
_T1_value_units s
_Mol_system_component_name 'cellular retinol-binding protein type I'
_Text_data_format .
_Text_data .
loop_
_T1_ID
_Residue_seq_code
_Residue_label
_Atom_name
_T1_value
_T1_value_error
1 3 VAL N 0.703 0.130
2 4 ASP N 0.547 0.032
3 5 PHE N 0.551 0.069
4 6 ASN N 0.622 0.039
5 7 GLY N 0.585 0.023
6 8 TYR N 0.581 0.022
7 9 TRP N 0.573 0.020
8 10 LYS N 0.627 0.054
9 13 SER N 0.607 0.007
10 14 ASN N 0.593 0.020
11 16 ASN N 0.590 0.026
12 17 PHE N 0.533 0.033
13 18 GLU N 0.551 0.034
14 19 GLU N 0.683 0.049
15 20 TYR N 0.579 0.038
16 21 LEU N 0.590 0.042
17 23 ALA N 0.557 0.019
18 24 LEU N 0.636 0.027
19 25 ASP N 0.584 0.042
20 29 ALA N 0.551 0.012
21 31 ARG N 0.532 0.050
22 32 LYS N 0.528 0.028
23 35 ASN N 0.561 0.071
24 37 LEU N 0.602 0.030
25 40 ASP N 0.555 0.043
26 41 LYS N 0.608 0.084
27 42 GLU N 0.603 0.032
28 43 ILE N 0.592 0.028
29 45 GLN N 0.552 0.024
30 46 ASP N 0.601 0.013
31 47 GLY N 0.627 0.037
32 48 ASP N 0.531 0.019
33 49 HIS N 0.585 0.030
34 50 MET N 0.575 0.034
35 51 ILE N 0.615 0.078
36 53 ARG N 0.552 0.041
37 56 SER N 0.564 0.037
38 60 ASN N 0.718 0.090
39 63 MET N 0.525 0.088
40 65 PHE N 0.552 0.023
41 66 GLN N 0.580 0.028
42 68 GLY N 0.571 0.037
43 69 LYS N 0.548 0.020
44 70 GLU N 0.613 0.026
45 71 PHE N 0.532 0.024
46 72 GLU N 0.629 0.036
47 78 ILE N 0.711 0.092
48 79 ASP N 0.740 0.080
49 82 LYS N 0.541 0.046
50 84 MET N 0.639 0.038
51 86 THR N 0.525 0.031
52 87 VAL N 0.564 0.022
53 88 SER N 0.582 0.020
54 89 TRP N 0.639 0.052
55 90 ASP N 0.625 0.071
56 91 GLY N 0.583 0.028
57 92 ASP N 0.579 0.055
58 93 LYS N 0.574 0.060
59 94 LEU N 0.560 0.054
60 95 GLN N 0.543 0.043
61 97 VAL N 0.582 0.032
62 98 GLN N 0.557 0.040
63 101 GLU N 0.539 0.008
64 103 GLU N 0.622 0.022
65 104 GLY N 0.613 0.023
66 105 ARG N 0.548 0.029
67 106 GLY N 0.519 0.049
68 107 TRP N 0.646 0.083
69 108 THR N 0.564 0.049
70 109 GLN N 0.530 0.018
71 110 TRP N 0.552 0.068
72 111 ILE N 0.595 0.065
73 113 GLY N 0.565 0.021
74 114 ASP N 0.566 0.021
75 115 GLU N 0.548 0.013
76 117 HIS N 0.557 0.018
77 118 LEU N 0.607 0.031
78 119 GLU N 0.651 0.084
79 120 MET N 0.684 0.111
80 121 ARG N 0.602 0.068
81 122 ALA N 0.607 0.031
82 123 GLU N 0.541 0.034
83 124 GLY N 0.556 0.015
84 125 VAL N 0.533 0.012
85 126 THR N 0.547 0.024
86 128 LYS N 0.579 0.035
87 131 PHE N 0.582 0.037
88 132 LYS N 0.563 0.022
89 135 HIS N 0.598 0.025
stop_
save_
save_15N_T1_600
_Saveframe_category T1_relaxation
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_set_1
_Spectrometer_frequency_1H 600
_T1_coherence_type Nz
_T1_value_units s
_Mol_system_component_name 'cellular retinol-binding protein type I'
_Text_data_format .
_Text_data .
loop_
_T1_ID
_Residue_seq_code
_Residue_label
_Atom_name
_T1_value
_T1_value_error
1 3 VAL N 0.666 0.063
2 4 ASP N 0.654 0.056
3 5 PHE N 0.789 0.120
4 6 ASN N 0.773 0.054
5 7 GLY N 0.654 0.017
6 8 TYR N 0.679 0.030
7 9 TRP N 0.647 0.030
8 10 LYS N 0.682 0.032
9 13 SER N 0.704 0.015
10 14 ASN N 0.704 0.025
11 16 ASN N 0.658 0.024
12 17 PHE N 0.570 0.049
13 18 GLU N 0.794 0.049
14 19 GLU N 0.776 0.085
15 20 TYR N 0.731 0.036
16 21 LEU N 0.714 0.080
17 23 ALA N 0.661 0.035
18 24 LEU N 0.706 0.048
19 25 ASP N 0.627 0.073
20 29 ALA N 0.628 0.009
21 31 ARG N 0.593 0.051
22 32 LYS N 0.651 0.043
23 37 LEU N 0.654 0.023
24 42 GLU N 0.766 0.047
25 43 ILE N 0.671 0.020
26 45 GLN N 0.643 0.036
27 46 ASP N 0.694 0.024
28 47 GLY N 0.667 0.041
29 49 HIS N 0.797 0.033
30 50 MET N 0.665 0.050
31 51 ILE N 0.728 0.033
32 53 ARG N 0.700 0.048
33 56 SER N 0.617 0.065
34 65 PHE N 0.730 0.087
35 66 GLN N 0.678 0.031
36 68 GLY N 0.711 0.035
37 69 LYS N 0.675 0.029
38 70 GLU N 0.686 0.038
39 71 PHE N 0.612 0.026
40 72 GLU N 0.683 0.018
41 78 ILE N 0.885 0.093
42 79 ASP N 0.723 0.067
43 82 LYS N 0.654 0.006
44 84 MET N 0.699 0.038
45 86 THR N 0.688 0.022
46 87 VAL N 0.717 0.022
47 88 SER N 0.715 0.020
48 89 TRP N 0.824 0.060
49 90 ASP N 0.698 0.107
50 91 GLY N 0.707 0.043
51 92 ASP N 0.729 0.063
52 93 LYS N 0.695 0.055
53 95 GLN N 0.733 0.053
54 97 VAL N 0.656 0.045
55 98 GLN N 0.710 0.021
56 101 GLU N 0.646 0.094
57 103 GLU N 0.707 0.028
58 104 GLY N 0.704 0.010
59 105 ARG N 0.682 0.123
60 106 GLY N 0.725 0.139
61 107 TRP N 0.754 0.093
62 108 THR N 0.745 0.054
63 109 GLN N 0.720 0.049
64 110 TRP N 0.740 0.028
65 111 ILE N 0.671 0.062
66 113 GLY N 0.698 0.040
67 114 ASP N 0.718 0.020
68 115 GLU N 0.639 0.022
69 117 HIS N 0.661 0.028
70 118 LEU N 0.757 0.048
71 119 GLU N 0.696 0.032
72 120 MET N 0.711 0.072
73 121 ARG N 0.757 0.040
74 122 ALA N 0.673 0.055
75 123 GLU N 0.624 0.028
76 124 GLY N 0.660 0.029
77 125 VAL N 0.660 0.011
78 126 THR N 0.664 0.015
79 128 LYS N 0.710 0.053
80 131 PHE N 0.684 0.059
81 132 LYS N 0.644 0.027
82 135 HIS N 0.841 0.021
stop_
save_
save_15N_T2_500
_Saveframe_category T2_relaxation
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_set_1
_Spectrometer_frequency_1H 500
_T2_coherence_type Nx
_T2_value_units s
_Mol_system_component_name 'cellular retinol-binding protein type I'
_Text_data_format .
_Text_data .
loop_
_T2_ID
_Residue_seq_code
_Residue_label
_Atom_name
_T2_value
_T2_value_error
_Rex_value
_Rex_error
1 3 VAL N 0.171 0.021 . .
2 4 ASP N 0.104 0.008 . .
3 5 PHE N 0.101 0.010 . .
4 6 ASN N 0.095 0.003 . .
5 7 GLY N 0.104 0.004 . .
6 8 TYR N 0.108 0.006 . .
7 9 TRP N 0.101 0.015 . .
8 10 LYS N 0.102 0.007 . .
9 13 SER N 0.104 0.003 . .
10 14 ASN N 0.099 0.006 . .
11 16 ASN N 0.108 0.007 . .
12 17 PHE N 0.104 0.007 . .
13 18 GLU N 0.081 0.004 . .
14 19 GLU N 0.094 0.011 . .
15 20 TYR N 0.113 0.004 . .
16 21 LEU N 0.091 0.007 . .
17 23 ALA N 0.089 0.004 . .
18 24 LEU N 0.090 0.006 . .
19 29 ALA N 0.099 0.004 . .
20 31 ARG N 0.095 0.012 . .
21 32 LYS N 0.104 0.010 . .
22 35 ASN N 0.100 0.015 . .
23 37 LEU N 0.109 0.006 . .
24 40 ASP N 0.113 0.014 . .
25 42 GLU N 0.094 0.003 . .
26 43 ILE N 0.100 0.007 . .
27 45 GLN N 0.105 0.007 . .
28 46 ASP N 0.099 0.005 . .
29 47 GLY N 0.113 0.007 . .
30 49 HIS N 0.085 0.004 . .
31 50 MET N 0.108 0.008 . .
32 51 ILE N 0.089 0.005 . .
33 53 ARG N 0.095 0.003 . .
34 56 SER N 0.107 0.010 . .
35 65 PHE N 0.099 0.006 . .
36 66 GLN N 0.102 0.003 . .
37 68 GLY N 0.099 0.008 . .
38 69 LYS N 0.104 0.007 . .
39 70 GLU N 0.100 0.004 . .
40 71 PHE N 0.098 0.006 . .
41 72 GLU N 0.099 0.004 . .
42 79 ASP N 0.102 0.011 . .
43 82 LYS N 0.085 0.009 . .
44 84 MET N 0.101 0.006 . .
45 86 THR N 0.104 0.005 . .
46 88 SER N 0.100 0.003 . .
47 89 TRP N 0.100 0.009 . .
48 90 ASP N 0.106 0.009 . .
49 91 GLY N 0.112 0.010 . .
50 92 ASP N 0.115 0.012 . .
51 93 LYS N 0.108 0.010 . .
52 95 GLN N 0.111 0.012 . .
53 97 VAL N 0.099 0.006 . .
54 98 GLN N 0.110 0.011 . .
55 101 GLU N 0.124 0.021 . .
56 103 GLU N 0.094 0.004 . .
57 104 GLY N 0.105 0.003 . .
58 105 ARG N 0.093 0.008 . .
59 106 GLY N 0.089 0.009 . .
60 107 TRP N 0.085 0.012 . .
61 108 THR N 0.098 0.006 . .
62 109 GLN N 0.095 0.004 . .
63 110 TRP N 0.101 0.018 . .
64 111 ILE N 0.091 0.015 . .
65 113 GLY N 0.102 0.003 . .
66 114 ASP N 0.087 0.004 . .
67 115 GLU N 0.104 0.004 . .
68 117 HIS N 0.088 0.007 . .
69 118 LEU N 0.085 0.008 . .
70 119 GLU N 0.090 0.009 . .
71 120 MET N 0.097 0.009 . .
72 121 ARG N 0.093 0.008 . .
73 122 ALA N 0.093 0.004 . .
74 123 GLU N 0.101 0.005 . .
75 124 GLY N 0.100 0.003 . .
76 125 VAL N 0.104 0.003 . .
77 126 THR N 0.108 0.003 . .
78 128 LYS N 0.087 0.008 . .
79 131 PHE N 0.112 0.017 . .
80 132 LYS N 0.096 0.009 . .
81 135 HIS N 0.136 0.004 . .
stop_
save_
save_15N_T2_600
_Saveframe_category T2_relaxation
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_set_1
_Spectrometer_frequency_1H 600
_T2_coherence_type Nx
_T2_value_units s
_Mol_system_component_name 'cellular retinol-binding protein type I'
_Text_data_format .
_Text_data .
loop_
_T2_ID
_Residue_seq_code
_Residue_label
_Atom_name
_T2_value
_T2_value_error
_Rex_value
_Rex_error
1 3 VAL N 0.155 0.023 . .
2 4 ASP N 0.102 0.012 . .
3 5 PHE N 0.101 0.013 . .
4 6 ASN N 0.092 0.005 . .
5 7 GLY N 0.099 0.006 . .
6 8 TYR N 0.086 0.006 . .
7 9 TRP N 0.084 0.007 . .
8 10 LYS N 0.093 0.006 . .
9 13 SER N 0.097 0.004 . .
10 14 ASN N 0.088 0.003 . .
11 16 ASN N 0.095 0.004 . .
12 17 PHE N 0.090 0.007 . .
13 18 GLU N 0.085 0.007 . .
14 19 GLU N 0.089 0.006 . .
15 20 TYR N 0.095 0.011 . .
16 21 LEU N 0.089 0.008 . .
17 23 ALA N 0.083 0.007 . .
18 24 LEU N 0.082 0.008 . .
19 31 ARG N 0.095 0.016 . .
20 32 LYS N 0.089 0.011 . .
21 37 LEU N 0.094 0.005 . .
22 42 GLU N 0.082 0.005 . .
23 43 ILE N 0.092 0.005 . .
24 45 GLN N 0.091 0.007 . .
25 46 ASP N 0.095 0.002 . .
26 47 GLY N 0.112 0.010 . .
27 48 ASP N 0.094 0.006 . .
28 50 MET N 0.106 0.014 . .
29 53 ARG N 0.086 0.009 . .
30 65 PHE N 0.083 0.009 . .
31 66 GLN N 0.092 0.004 . .
32 68 GLY N 0.090 0.005 . .
33 69 LYS N 0.104 0.004 . .
34 70 GLU N 0.086 0.005 . .
35 71 PHE N 0.091 0.006 . .
36 72 GLU N 0.089 0.003 . .
37 84 MET N 0.103 0.017 . .
38 86 THR N 0.100 0.007 . .
39 87 VAL N 0.092 0.010 . .
40 88 SER N 0.094 0.004 . .
41 89 TRP N 0.086 0.007 . .
42 90 ASP N 0.107 0.013 . .
43 91 GLY N 0.103 0.007 . .
44 92 ASP N 0.119 0.007 . .
45 93 LYS N 0.101 0.009 . .
46 94 LEU N 0.087 0.013 . .
47 95 GLN N 0.102 0.008 . .
48 97 VAL N 0.091 0.008 . .
49 98 GLN N 0.101 0.006 . .
50 101 GLU N 0.091 0.009 . .
51 104 GLY N 0.091 0.004 . .
52 106 GLY N 0.081 0.018 . .
53 108 THR N 0.098 0.010 . .
54 109 GLN N 0.094 0.008 . .
55 110 TRP N 0.103 0.017 . .
56 113 GLY N 0.100 0.003 . .
57 114 ASP N 0.078 0.003 . .
58 115 GLU N 0.089 0.003 . .
59 117 HIS N 0.086 0.004 . .
60 118 LEU N 0.083 0.008 . .
61 119 GLU N 0.085 0.007 . .
62 120 MET N 0.085 0.019 . .
63 121 ARG N 0.088 0.007 . .
64 122 ALA N 0.086 0.012 . .
65 123 GLU N 0.088 0.005 . .
66 124 GLY N 0.093 0.005 . .
67 125 VAL N 0.094 0.003 . .
68 126 THR N 0.097 0.003 . .
69 128 LYS N 0.086 0.008 . .
70 131 PHE N 0.103 0.017 . .
71 132 LYS N 0.091 0.005 . .
stop_
save_
save_heteronuclear_NOE_500
_Saveframe_category heteronuclear_NOE
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_set_1
_Spectrometer_frequency_1H 500
_Mol_system_component_name ?
_Atom_one_atom_name .
_Atom_two_atom_name .
_Heteronuclear_NOE_value_type 'relative intensities'
_NOE_reference_value .
_NOE_reference_description .
_Text_data_format .
_Text_data .
loop_
_Residue_seq_code
_Residue_label
_Heteronuclear_NOE_value
_Heteronuclear_NOE_value_error
3 VAL 0.102 0.080
4 ASP 0.691 0.080
5 PHE 0.641 0.080
6 ASN 0.768 0.080
7 GLY 0.765 0.080
8 TYR 0.636 0.080
9 TRP 0.658 0.080
10 LYS 0.700 0.080
13 SER 0.738 0.080
14 ASN 0.815 0.080
16 ASN 0.842 0.080
17 PHE 0.680 0.080
18 GLU 0.865 0.080
19 GLU 0.762 0.080
20 TYR 0.762 0.080
23 ALA 0.786 0.080
24 LEU 0.683 0.080
25 ASP 0.852 0.080
29 ALA 0.690 0.080
31 ARG 0.646 0.080
35 ASN 0.761 0.080
37 LEU 0.731 0.080
40 ASP 0.715 0.080
41 LYS 0.903 0.080
42 GLU 0.740 0.080
43 ILE 0.832 0.080
46 ASP 0.718 0.080
47 GLY 0.880 0.080
48 ASP 0.778 0.080
49 HIS 0.670 0.080
50 MET 0.896 0.080
51 ILE 0.880 0.080
53 ARG 0.868 0.080
60 ASN 0.963 0.080
63 MET 0.780 0.080
65 PHE 0.670 0.080
66 GLN 0.795 0.080
68 GLY 0.800 0.080
69 LYS 0.687 0.080
70 GLU 0.734 0.080
71 PHE 0.890 0.080
72 GLU 0.814 0.080
79 ASP 0.842 0.080
82 LYS 0.637 0.030
86 THR 0.890 0.080
89 TRP 0.772 0.080
90 ASP 0.860 0.080
91 GLY 0.860 0.080
92 ASP 0.617 0.080
93 LYS 0.719 0.080
94 LEU 0.621 0.080
95 GLN 0.875 0.080
97 VAL 0.846 0.080
98 GLN 0.768 0.080
101 GLU 0.678 0.080
103 GLU 0.668 0.080
104 GLY 0.854 0.080
105 ARG 0.832 0.080
106 GLY 0.783 0.080
108 THR 0.806 0.080
109 GLN 0.791 0.080
110 TRP 0.642 0.080
113 GLY 0.846 0.080
114 ASP 0.748 0.080
115 GLU 0.732 0.080
117 HIS 0.851 0.080
118 LEU 0.708 0.080
119 GLU 0.621 0.080
120 MET 0.705 0.080
121 ARG 0.681 0.080
122 ALA 0.764 0.080
123 GLU 0.801 0.080
124 GLY 0.729 0.080
125 VAL 0.832 0.080
126 THR 0.778 0.080
128 LYS 0.630 0.080
131 PHE 0.751 0.080
132 LYS 0.767 0.080
135 HIS 0.631 0.080
stop_
save_
save_heteronuclear_NOE_600
_Saveframe_category heteronuclear_NOE
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_set_1
_Spectrometer_frequency_1H 600
_Mol_system_component_name ?
_Atom_one_atom_name .
_Atom_two_atom_name .
_Heteronuclear_NOE_value_type 'relative intensities'
_NOE_reference_value .
_NOE_reference_description .
_Text_data_format .
_Text_data .
loop_
_Residue_seq_code
_Residue_label
_Heteronuclear_NOE_value
_Heteronuclear_NOE_value_error
5 PHE 0.804 0.080
6 ASN 0.884 0.080
7 GLY 0.724 0.080
8 TYR 0.811 0.080
9 TRP 0.839 0.080
10 LYS 0.883 0.080
13 SER 0.773 0.080
14 ASN 0.794 0.080
16 ASN 0.730 0.080
17 PHE 0.639 0.080
18 GLU 0.714 0.080
19 GLU 0.702 0.080
20 TYR 0.862 0.080
21 LEU 0.782 0.080
23 ALA 0.848 0.080
24 LEU 0.864 0.080
29 ALA 0.731 0.080
31 ARG 0.856 0.080
32 LYS 0.595 0.080
42 GLU 0.835 0.080
43 ILE 0.871 0.080
45 GLN 0.853 0.080
46 ASP 0.818 0.080
47 GLY 0.754 0.080
48 ASP 0.814 0.080
49 HIS 0.879 0.080
50 MET 0.814 0.080
51 ILE 0.855 0.080
53 ARG 0.804 0.080
56 SER 0.685 0.080
65 PHE 0.863 0.080
66 GLN 0.783 0.080
68 GLY 0.822 0.080
69 LYS 0.894 0.080
70 GLU 0.815 0.080
71 PHE 0.806 0.080
72 GLU 0.813 0.080
79 ASP 0.680 0.080
82 LYS 0.653 0.080
84 MET 0.797 0.080
87 VAL 0.886 0.080
88 SER 0.834 0.080
89 TRP 0.729 0.080
90 ASP 0.788 0.080
91 GLY 0.739 0.080
92 ASP 0.739 0.080
93 LYS 0.822 0.080
94 LEU 0.851 0.080
98 GLN 0.826 0.080
101 GLU 0.647 0.080
103 GLU 0.694 0.080
104 GLY 0.853 0.080
105 ARG 0.816 0.080
106 GLY 0.786 0.080
107 TRP 0.814 0.080
108 THR 0.819 0.080
110 TRP 0.860 0.080
111 ILE 0.826 0.080
113 GLY 0.879 0.080
114 ASP 0.848 0.080
115 GLU 0.819 0.080
117 HIS 0.844 0.080
118 LEU 0.730 0.080
119 GLU 0.867 0.080
120 MET 0.646 0.080
121 ARG 0.797 0.080
122 ALA 0.900 0.080
123 GLU 0.875 0.080
124 GLY 0.787 0.080
125 VAL 0.758 0.030
126 THR 0.811 0.030
131 PHE 0.774 0.080
132 LYS 0.770 0.080
stop_
save_
save_S2
_Saveframe_category S2_parameters
_Details .
loop_
_Software_label
$ModelFree
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_set_1
_Mol_system_component_name 'cellular retinol-binding protein type I'
_Tau_e_value_units ps
_Text_data_format .
_Text_data .
loop_
_Residue_seq_code
_Residue_label
_Atom_name
_Model_fit
_S2_value
_S2_value_fit_error
_Tau_e_value
_Tau_e_value_fit_error
_S2f_value
_S2f_value_fit_error
_S2s_value
_S2s_value_fit_error
_Tau_s_value
_Tau_s_value_fit_error
_S2H_value
_S2H_value_fit_error
_S2N_value
_S2N_value_fit_error
3 VAL N . 0.576 0.059 400.000 385.980 . . . . . . . . . .
4 ASP N . 0.859 0.030 61.050 0.000 . . . . . . . . . .
5 PHE N . 0.843 0.053 29.299 25.496 . . . . . . . . . .
6 ASN N . 0.785 0.035 . . . . . . . . . . . .
7 GLY N . 0.870 0.017 43.381 26.993 . . . . . . . . . .
8 TYR N . 0.847 0.022 29.590 22.983 . . . . . . . . . .
9 TRP N . 0.872 0.025 21.950 27.859 . . . . . . . . . .
10 LYS N . 0.872 0.027 . . . . . . . . . . . .
13 SER N . 0.787 0.012 22.053 15.092 . . . . . . . . . .
14 ASN N . 0.830 0.020 . . . . . . . . . . . .
16 ASN N . 0.872 0.020 . . . . . . . . . . . .
17 PHE N . 0.896 0.032 117.063 68.245 . . . . . . . . . .
18 GLU N . 0.820 0.035 . . . . . . . . . . . .
19 GLU N . 0.710 0.043 14.769 10.619 . . . . . . . . . .
20 TYR N . 0.815 0.021 . . . . . . . . . . . .
21 LEU N . 0.825 0.049 . . . . . . . . . . . .
23 ALA N . 0.875 0.025 . . . . . . . . . . . .
24 LEU N . 0.777 0.028 . . . . . . . . . . . .
25 ASP N . 0.842 0.028 . . . . . . . . . . . .
29 ALA N . 0.907 0.016 108.283 42.530 . . . . . . . . . .
31 ARG N . 0.943 0.051 61.585 92.163 . . . . . . . . . .
32 LYS N . 0.876 0.033 131.356 71.342 . . . . . . . . . .
35 ASN N . 0.867 0.085 . . . . . . . . . . . .
37 LEU N . 0.872 0.020 . . . . . . . . . . . .
40 ASP N . 0.839 0.055 . . . . . . . . . . . .
41 LYS N . 0.784 0.108 . . . . . . . . . . . .
42 GLU N . 0.791 0.031 . . . . . . . . . . . .
43 ILE N . 0.885 0.019 . . . . . . . . . . . .
45 GLN N . 0.889 0.025 . . . . . . . . . . . .
46 ASP N . 0.816 0.015 . . . . . . . . . . . .
47 GLY N . 0.805 0.027 . . . . . . . . . . . .
48 ASP N . 0.900 0.028 . . . . . . . . . . . .
49 HIS N . 0.785 0.025 . . . . . . . . . . . .
50 MET N . 0.847 0.032 . . . . . . . . . . . .
51 ILE N . 0.832 0.036 . . . . . . . . . . . .
53 ARG N . 0.923 0.025 . . . . . . . . . . . .
56 SER N . 0.848 0.041 55.111 35.537 . . . . . . . . . .
60 ASN N . 0.684 0.041 . . . . . . . . . . . .
63 MET N . 0.908 0.152 . . . . . . . . . . . .
65 PHE N . 0.883 0.027 . . . . . . . . . . . .
66 GLN N . 0.882 0.018 . . . . . . . . . . . .
68 GLY N . 0.884 0.026 . . . . . . . . . . . .
69 LYS N . 0.862 0.019 . . . . . . . . . . . .
70 GLU N . 0.810 0.027 . . . . . . . . . . . .
71 PHE N . 0.939 0.023 . . . . . . . . . . . .
72 GLU N . 0.861 0.021 . . . . . . . . . . . .
78 ILE N . 0.683 0.056 . . . . . . . . . . . .
79 ASP N . 0.733 0.052 . . . . . . . . . . . .
82 LYS N . 0.891 0.011 127.354 22.880 . . . . . . . . . .
84 MET N . 0.827 0.027 . . . . . . . . . . . .
86 THR N . 0.880 0.020 . . . . . . . . . . . .
87 VAL N . 0.853 0.020 . . . . . . . . . . . .
88 SER N . 0.840 0.018 . . . . . . . . . . . .
89 TRP N . 0.742 0.040 . . . . . . . . . . . .
90 ASP N . 0.814 0.046 . . . . . . . . . . . .
91 GLY N . 0.826 0.026 6.848 19.659 . . . . . . . . . .
92 ASP N . 0.751 0.030 30.914 14.051 . . . . . . . . . .
93 LYS N . 0.849 0.038 . . . . . . . . . . . .
94 LEU N . 0.876 0.071 29.669 35.189 . . . . . . . . . .
95 GLN N . 0.841 0.035 . . . . . . . . . . . .
97 VAL N . 0.879 0.029 . . . . . . . . . . . .
98 GLN N . 0.855 0.021 . . . . . . . . . . . .
101 GLU N . 0.858 0.016 72.331 26.503 . . . . . . . . . .
103 GLU N . 0.781 0.023 36.728 15.205 . . . . . . . . . .
104 GLY N . 0.859 0.010 . . . . . . . . . . . .
105 ARG N . 0.890 0.039 . . . . . . . . . . . .
106 GLY N . 0.901 0.076 . . . . . . . . . . . .
107 TRP N . 0.773 0.069 . . . . . . . . . . . .
108 THR N . 0.866 0.034 . . . . . . . . . . . .
109 GLN N . 0.905 0.021 . . . . . . . . . . . .
110 TRP N . 0.823 0.031 14.290 19.188 . . . . . . . . . .
111 ILE N . 0.874 0.057 . . . . . . . . . . . .
113 GLY N . 0.862 0.015 . . . . . . . . . . . .
114 ASP N . 0.848 0.019 . . . . . . . . . . . .
115 GLU N . 0.901 0.013 . . . . . . . . . . . .
117 HIS N . 0.881 0.023 . . . . . . . . . . . .
118 LEU N . 0.795 0.031 . . . . . . . . . . . .
119 GLU N . 0.857 0.037 . . . . . . . . . . . .
120 MET N . 0.774 0.067 36.206 19.724 . . . . . . . . . .
121 ARG N . 0.806 0.038 . . . . . . . . . . . .
122 ALA N . 0.813 0.035 . . . . . . . . . . . .
123 GLU N . 0.930 0.024 . . . . . . . . . . . .
124 GLY N . 0.881 0.017 19.510 29.644 . . . . . . . . . .
125 VAL N . 0.894 0.011 34.956 16.003 . . . . . . . . . .
126 THR N . 0.882 0.013 . . . . . . . . . . . .
128 LYS N . 0.855 0.036 70.372 43.911 . . . . . . . . . .
131 PHE N . 0.837 0.039 . . . . . . . . . . . .
132 LYS N . 0.900 0.022 . . . . . . . . . . . .
135 HIS N . 0.671 0.076 400.000 1525.026 . . . . . . . . . .
stop_
_Tau_s_value_units .
save_