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_