data_5331 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone relaxation data of rat holo cellular retinol-binding protein type I (CRBP-I) ; _BMRB_accession_number 5331 _BMRB_flat_file_name bmr5331.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 S2_parameters 1 T1_relaxation 2 T2_relaxation 2 heteronucl_NOE 2 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 235 "T2 relaxation values" 236 "order parameters" 118 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' 5330 'relaxation data of the apo 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' 'holo form' 'retinol ligand' '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 retinol $RTL 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 ; The sequence is identical with SWISS-PROT entry P02696, except that it starts with an additional N-terminal methionine residue that should be numbered as M0, since it occurs only in the recombinantly-expressed protein. ; 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 5330 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_ ############# # Ligands # ############# save_RTL _Saveframe_category ligand _Mol_type non-polymer _Name_common "RTL (RETINOL)" _BMRB_code . _PDB_code RTL _Molecular_mass 286.452 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 12:03:01 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? O1 O1 O . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? H14 H14 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? HO1 HO1 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H163 H163 H . 0 . ? H171 H171 H . 0 . ? H172 H172 H . 0 . ? H173 H173 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H183 H183 H . 0 . ? H191 H191 H . 0 . ? H192 H192 H . 0 . ? H193 H193 H . 0 . ? H201 H201 H . 0 . ? H202 H202 H . 0 . ? H203 H203 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 C6 ? ? SING C1 C16 ? ? SING C1 C17 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? DOUB C5 C6 ? ? SING C5 C18 ? ? SING C6 C7 ? ? DOUB C7 C8 ? ? SING C7 H7 ? ? SING C8 C9 ? ? SING C8 H8 ? ? DOUB C9 C10 ? ? SING C9 C19 ? ? SING C10 C11 ? ? SING C10 H10 ? ? DOUB C11 C12 ? ? SING C11 H11 ? ? SING C12 C13 ? ? SING C12 H12 ? ? DOUB C13 C14 ? ? SING C13 C20 ? ? SING C14 C15 ? ? SING C14 H14 ? ? SING C15 O1 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING O1 HO1 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C16 H163 ? ? SING C17 H171 ? ? SING C17 H172 ? ? SING C17 H173 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? SING C19 H191 ? ? SING C19 H192 ? ? SING C19 H193 ? ? SING C20 H201 ? ? SING C20 H202 ? ? SING C20 H203 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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] $RTL 1.6 mM . 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_2 _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 $sample_1 save_ save_15N_T2_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_1 save_ save_{1H}-15N_NOE_3 _Saveframe_category NMR_applied_experiment _Experiment_name '{1H}-15N NOE' _Sample_label $sample_1 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 pH 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 0.663 0.024 2 4 ASP N 0.656 0.034 3 5 PHE N 0.537 0.040 4 6 ASN N 0.597 0.008 5 7 GLY N 0.584 0.008 6 8 TYR N 0.583 0.007 7 9 TRP N 0.578 0.011 8 10 LYS N 0.598 0.014 9 11 MET N 0.553 0.006 10 13 SER N 0.607 0.008 11 15 GLU N 0.655 0.010 12 16 ASN N 0.567 0.007 13 18 GLU N 0.581 0.008 14 19 GLU N 0.581 0.008 15 20 TYR N 0.555 0.006 16 21 LEU N 0.549 0.007 17 22 ARG N 0.554 0.011 18 23 ALA N 0.534 0.008 19 24 LEU N 0.577 0.006 20 25 ASP N 0.542 0.006 21 26 VAL N 0.551 0.007 22 27 ASN N 0.587 0.014 23 28 VAL N 0.585 0.007 24 29 ALA N 0.567 0.007 25 30 LEU N 0.591 0.006 26 31 ARG N 0.569 0.008 27 32 LYS N 0.580 0.007 28 33 ILE N 0.595 0.006 29 34 ALA N 0.563 0.009 30 35 ASN N 0.582 0.006 31 36 LEU N 0.581 0.006 32 37 LEU N 0.597 0.006 33 40 ASP N 0.585 0.009 34 41 LYS N 0.588 0.007 35 42 GLU N 0.593 0.006 36 43 ILE N 0.580 0.019 37 44 VAL N 0.580 0.006 38 45 GLN N 0.593 0.012 39 46 ASP N 0.597 0.010 40 47 GLY N 0.596 0.025 41 49 HIS N 0.587 0.012 42 50 MET N 0.588 0.018 43 51 ILE N 0.624 0.008 44 52 ILE N 0.580 0.012 45 53 ARG N 0.586 0.007 46 54 THR N 0.578 0.013 47 55 LEU N 0.555 0.010 48 56 SER N 0.570 0.006 49 58 PHE N 0.589 0.006 50 59 ARG N 0.623 0.016 51 60 ASN N 0.578 0.007 52 61 TYR N 0.594 0.006 53 62 ILE N 0.572 0.009 54 63 MET N 0.586 0.013 55 64 ASP N 0.625 0.013 56 66 GLN N 0.596 0.007 57 67 VAL N 0.571 0.010 58 68 GLY N 0.569 0.011 59 69 LYS N 0.594 0.011 60 70 GLU N 0.611 0.012 61 71 PHE N 0.554 0.016 62 72 GLU N 0.592 0.007 63 73 GLU N 0.566 0.009 64 74 ASP N 0.611 0.009 65 75 LEU N 0.592 0.015 66 76 THR N 0.581 0.016 67 78 ILE N 0.570 0.013 68 79 ASP N 0.597 0.014 69 81 ARG N 0.652 0.017 70 83 CYS N 0.576 0.010 71 84 MET N 0.585 0.011 72 85 THR N 0.560 0.010 73 86 THR N 0.576 0.013 74 87 VAL N 0.558 0.020 75 88 SER N 0.603 0.012 76 89 TRP N 0.584 0.029 77 90 ASP N 0.569 0.019 78 91 GLY N 0.593 0.025 79 92 ASP N 0.582 0.017 80 94 LEU N 0.568 0.028 81 96 CYS N 0.594 0.022 82 97 VAL N 0.561 0.011 83 98 GLN N 0.577 0.013 84 99 LYS N 0.584 0.011 85 100 GLY N 0.581 0.015 86 101 GLU N 0.553 0.012 87 102 LYS N 0.597 0.015 88 103 GLU N 0.627 0.011 89 104 GLY N 0.589 0.007 90 105 ARG N 0.596 0.016 91 107 TRP N 0.575 0.014 92 108 THR N 0.609 0.013 93 109 GLN N 0.581 0.008 94 110 TRP N 0.602 0.020 95 111 ILE N 0.570 0.024 96 112 GLU N 0.601 0.007 97 113 GLY N 0.591 0.015 98 114 ASP N 0.601 0.009 99 115 GLU N 0.581 0.008 100 116 LEU N 0.583 0.015 101 117 HIS N 0.605 0.011 102 118 LEU N 0.591 0.019 103 119 GLU N 0.590 0.014 104 120 MET N 0.603 0.009 105 121 ARG N 0.569 0.009 106 122 ALA N 0.569 0.007 107 123 GLU N 0.562 0.006 108 124 GLY N 0.579 0.006 109 125 VAL N 0.555 0.007 110 127 CYS N 0.568 0.013 111 128 LYS N 0.604 0.008 112 130 VAL N 0.604 0.013 113 131 PHE N 0.593 0.011 114 132 LYS N 0.602 0.007 115 133 LYS N 0.554 0.006 116 134 VAL N 0.560 0.008 117 135 HIS N 0.661 0.028 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 0.756 0.021 2 4 ASP N 0.775 0.015 3 5 PHE N 0.766 0.038 4 6 ASN N 0.721 0.033 5 7 GLY N 0.729 0.007 6 8 TYR N 0.736 0.008 7 9 TRP N 0.719 0.007 8 10 LYS N 0.737 0.008 9 11 MET N 0.692 0.007 10 13 SER N 0.752 0.007 11 15 GLU N 0.796 0.008 12 16 ASN N 0.713 0.012 13 18 GLU N 0.717 0.007 14 19 GLU N 0.719 0.007 15 20 TYR N 0.696 0.007 16 21 LEU N 0.682 0.007 17 22 ARG N 0.682 0.007 18 23 ALA N 0.684 0.041 19 24 LEU N 0.736 0.008 20 25 ASP N 0.672 0.007 21 26 VAL N 0.692 0.007 22 27 ASN N 0.727 0.007 23 28 VAL N 0.738 0.008 24 29 ALA N 0.698 0.007 25 30 LEU N 0.735 0.008 26 31 ARG N 0.710 0.007 27 32 LYS N 0.719 0.007 28 33 ILE N 0.735 0.008 29 34 ALA N 0.716 0.007 30 35 ASN N 0.723 0.007 31 36 LEU N 0.725 0.008 32 37 LEU N 0.720 0.007 33 40 ASP N 0.736 0.008 34 41 LYS N 0.734 0.008 35 42 GLU N 0.754 0.007 36 43 ILE N 0.716 0.007 37 44 VAL N 0.743 0.007 38 45 GLN N 0.733 0.008 39 46 ASP N 0.747 0.008 40 47 GLY N 0.729 0.010 41 49 HIS N 0.735 0.011 42 50 MET N 0.716 0.010 43 51 ILE N 0.758 0.007 44 52 ILE N 0.736 0.009 45 53 ARG N 0.727 0.009 46 54 THR N 0.730 0.009 47 55 LEU N 0.715 0.008 48 56 SER N 0.714 0.007 49 57 THR N 0.679 0.017 50 58 PHE N 0.720 0.005 51 59 ARG N 0.747 0.007 52 60 ASN N 0.720 0.007 53 61 TYR N 0.739 0.008 54 62 ILE N 0.719 0.008 55 63 MET N 0.718 0.009 56 64 ASP N 0.787 0.009 57 66 GLN N 0.743 0.008 58 67 VAL N 0.725 0.008 59 68 GLY N 0.725 0.009 60 69 LYS N 0.742 0.008 61 70 GLU N 0.769 0.008 62 71 PHE N 0.652 0.008 63 72 GLU N 0.755 0.007 64 73 GLU N 0.696 0.008 65 74 ASP N 0.764 0.009 66 75 LEU N 0.741 0.008 67 76 THR N 0.729 0.011 68 78 ILE N 0.722 0.007 69 79 ASP N 0.752 0.011 70 81 ARG N 0.807 0.008 71 83 CYS N 0.743 0.008 72 84 MET N 0.745 0.009 73 85 THR N 0.710 0.007 74 86 THR N 0.729 0.007 75 87 VAL N 0.699 0.013 76 88 SER N 0.727 0.007 77 89 TRP N 0.775 0.022 78 90 ASP N 0.751 0.019 79 91 GLY N 0.735 0.011 80 92 ASP N 0.683 0.016 81 94 LEU N 0.752 0.016 82 96 CYS N 0.729 0.011 83 97 VAL N 0.706 0.007 84 98 GLN N 0.725 0.007 85 99 LYS N 0.740 0.008 86 100 GLY N 0.716 0.007 87 101 GLU N 0.692 0.009 88 102 LYS N 0.757 0.011 89 103 GLU N 0.773 0.008 90 104 GLY N 0.742 0.008 91 105 ARG N 0.717 0.007 92 107 TRP N 0.713 0.007 93 108 THR N 0.759 0.010 94 109 GLN N 0.705 0.007 95 110 TRP N 0.727 0.009 96 111 ILE N 0.762 0.010 97 112 GLU N 0.839 0.008 98 113 GLY N 0.741 0.013 99 114 ASP N 0.735 0.008 100 115 GLU N 0.704 0.007 101 116 LEU N 0.740 0.008 102 117 HIS N 0.739 0.010 103 118 LEU N 0.727 0.007 104 119 GLU N 0.735 0.008 105 120 MET N 0.745 0.009 106 121 ARG N 0.716 0.007 107 122 ALA N 0.727 0.007 108 123 GLU N 0.715 0.007 109 124 GLY N 0.718 0.007 110 125 VAL N 0.678 0.007 111 127 CYS N 0.727 0.007 112 128 LYS N 0.739 0.008 113 130 VAL N 0.764 0.009 114 131 PHE N 0.738 0.008 115 132 LYS N 0.740 0.007 116 133 LYS N 0.680 0.007 117 134 VAL N 0.698 0.007 118 135 HIS N 0.770 0.008 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 0.147 0.003 . . 2 4 ASP N 0.112 0.004 . . 3 5 PHE N 0.094 0.008 . . 4 6 ASN N 0.084 0.003 . . 5 7 GLY N 0.095 0.002 . . 6 8 TYR N 0.090 0.000 . . 7 9 TRP N 0.096 0.002 . . 8 10 LYS N 0.090 0.001 . . 9 11 MET N 0.093 0.001 . . 10 13 SER N 0.095 0.001 . . 11 15 GLU N 0.095 0.001 . . 12 16 ASN N 0.092 0.001 . . 13 18 GLU N 0.092 0.001 . . 14 19 GLU N 0.096 0.001 . . 15 20 TYR N 0.088 0.001 . . 16 21 LEU N 0.088 0.001 . . 17 22 ARG N 0.086 0.001 . . 18 23 ALA N 0.083 0.001 . . 19 24 LEU N 0.095 0.001 . . 20 25 ASP N 0.093 0.001 . . 21 26 VAL N 0.090 0.001 . . 22 27 ASN N 0.100 0.001 . . 23 28 VAL N 0.095 0.001 . . 24 29 ALA N 0.094 0.001 . . 25 30 LEU N 0.092 0.001 . . 26 31 ARG N 0.089 0.001 . . 27 32 LYS N 0.092 0.001 . . 28 33 ILE N 0.096 0.002 . . 29 34 ALA N 0.087 0.001 . . 30 35 ASN N 0.091 0.001 . . 31 36 LEU N 0.097 0.001 . . 32 37 LEU N 0.098 0.001 . . 33 40 ASP N 0.098 0.002 . . 34 41 LYS N 0.094 0.002 . . 35 42 GLU N 0.093 0.002 . . 36 43 ILE N 0.091 0.002 . . 37 44 VAL N 0.093 0.002 . . 38 45 GLN N 0.091 0.002 . . 39 46 ASP N 0.093 0.002 . . 40 47 GLY N 0.099 0.004 . . 41 49 HIS N 0.088 0.002 . . 42 50 MET N 0.091 0.002 . . 43 51 ILE N 0.090 0.001 . . 44 52 ILE N 0.091 0.001 . . 45 53 ARG N 0.086 0.002 . . 46 54 THR N 0.094 0.001 . . 47 55 LEU N 0.093 0.002 . . 48 56 SER N 0.097 0.001 . . 49 57 THR N 0.103 0.002 . . 50 58 PHE N 0.102 0.001 . . 51 59 ARG N 0.106 0.002 . . 52 60 ASN N 0.098 0.001 . . 53 61 TYR N 0.095 0.001 . . 54 62 ILE N 0.092 0.001 . . 55 63 MET N 0.090 0.002 . . 56 64 ASP N 0.097 0.001 . . 57 66 GLN N 0.089 0.002 . . 58 67 VAL N 0.092 0.002 . . 59 68 GLY N 0.089 0.001 . . 60 69 LYS N 0.094 0.002 . . 61 70 GLU N 0.090 0.002 . . 62 71 PHE N 0.088 0.001 . . 63 72 GLU N 0.101 0.001 . . 64 73 GLU N 0.093 0.002 . . 65 74 ASP N 0.094 0.001 . . 66 75 LEU N 0.079 0.002 . . 67 76 THR N 0.082 0.001 . . 68 78 ILE N 0.090 0.002 . . 69 79 ASP N 0.086 0.003 . . 70 81 ARG N 0.102 0.002 . . 71 83 CYS N 0.091 0.002 . . 72 84 MET N 0.095 0.001 . . 73 85 THR N 0.099 0.002 . . 74 86 THR N 0.090 0.002 . . 75 87 VAL N 0.095 0.003 . . 76 88 SER N 0.090 0.001 . . 77 89 TRP N 0.102 0.005 . . 78 90 ASP N 0.094 0.003 . . 79 91 GLY N 0.099 0.004 . . 80 92 ASP N 0.103 0.007 . . 81 94 LEU N 0.091 0.005 . . 82 96 CYS N 0.095 0.003 . . 83 97 VAL N 0.094 0.002 . . 84 98 GLN N 0.098 0.001 . . 85 99 LYS N 0.090 0.001 . . 86 100 GLY N 0.095 0.001 . . 87 101 GLU N 0.098 0.002 . . 88 102 LYS N 0.102 0.002 . . 89 103 GLU N 0.093 0.001 . . 90 104 GLY N 0.097 0.002 . . 91 105 ARG N 0.094 0.001 . . 92 107 TRP N 0.086 0.001 . . 93 108 THR N 0.089 0.002 . . 94 109 GLN N 0.089 0.001 . . 95 110 TRP N 0.083 0.001 . . 96 111 ILE N 0.089 0.001 . . 97 112 GLU N 0.103 0.001 . . 98 113 GLY N 0.093 0.002 . . 99 114 ASP N 0.081 0.002 . . 100 115 GLU N 0.089 0.001 . . 101 116 LEU N 0.084 0.004 . . 102 117 HIS N 0.083 0.001 . . 103 118 LEU N 0.089 0.001 . . 104 119 GLU N 0.090 0.001 . . 105 120 MET N 0.091 0.002 . . 106 121 ARG N 0.091 0.002 . . 107 122 ALA N 0.095 0.001 . . 108 123 GLU N 0.090 0.001 . . 109 124 GLY N 0.091 0.001 . . 110 125 VAL N 0.092 0.001 . . 111 127 CYS N 0.094 0.002 . . 112 128 LYS N 0.089 0.001 . . 113 130 VAL N 0.084 0.001 . . 114 131 PHE N 0.087 0.001 . . 115 132 LYS N 0.087 0.001 . . 116 133 LYS N 0.095 0.002 . . 117 134 VAL N 0.097 0.004 . . 118 135 HIS N 0.116 0.002 . . 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 0.136 0.005 . . 2 4 ASP N 0.107 0.002 . . 3 5 PHE N 0.096 0.002 . . 4 6 ASN N 0.083 0.002 . . 5 7 GLY N 0.091 0.001 . . 6 8 TYR N 0.088 0.001 . . 7 9 TRP N 0.092 0.001 . . 8 10 LYS N 0.088 0.002 . . 9 11 MET N 0.091 0.002 . . 10 13 SER N 0.093 0.001 . . 11 15 GLU N 0.095 0.003 . . 12 16 ASN N 0.091 0.002 . . 13 18 GLU N 0.089 0.001 . . 14 19 GLU N 0.092 0.001 . . 15 20 TYR N 0.086 0.001 . . 16 21 LEU N 0.086 0.001 . . 17 22 ARG N 0.085 0.001 . . 18 23 ALA N 0.083 0.001 . . 19 24 LEU N 0.093 0.001 . . 20 25 ASP N 0.090 0.001 . . 21 26 VAL N 0.086 0.001 . . 22 27 ASN N 0.096 0.001 . . 23 28 VAL N 0.092 0.001 . . 24 29 ALA N 0.089 0.001 . . 25 30 LEU N 0.089 0.003 . . 26 31 ARG N 0.086 0.002 . . 27 32 LYS N 0.088 0.001 . . 28 33 ILE N 0.094 0.002 . . 29 34 ALA N 0.083 0.001 . . 30 35 ASN N 0.089 0.001 . . 31 36 LEU N 0.096 0.002 . . 32 37 LEU N 0.092 0.002 . . 33 40 ASP N 0.097 0.001 . . 34 41 LYS N 0.091 0.001 . . 35 42 GLU N 0.092 0.002 . . 36 43 ILE N 0.090 0.001 . . 37 44 VAL N 0.091 0.003 . . 38 45 GLN N 0.093 0.003 . . 39 46 ASP N 0.090 0.001 . . 40 47 GLY N 0.096 0.002 . . 41 49 HIS N 0.083 0.002 . . 42 50 MET N 0.086 0.002 . . 43 51 ILE N 0.089 0.002 . . 44 52 ILE N 0.091 0.002 . . 45 53 ARG N 0.085 0.001 . . 46 54 THR N 0.090 0.001 . . 47 55 LEU N 0.091 0.003 . . 48 56 SER N 0.095 0.001 . . 49 57 THR N 0.098 0.002 . . 50 58 PHE N 0.096 0.001 . . 51 59 ARG N 0.104 0.002 . . 52 60 ASN N 0.095 0.001 . . 53 61 TYR N 0.091 0.001 . . 54 62 ILE N 0.088 0.001 . . 55 63 MET N 0.088 0.002 . . 56 64 ASP N 0.094 0.001 . . 57 66 GLN N 0.087 0.001 . . 58 67 VAL N 0.089 0.001 . . 59 68 GLY N 0.086 0.002 . . 60 69 LYS N 0.091 0.001 . . 61 70 GLU N 0.089 0.001 . . 62 71 PHE N 0.086 0.001 . . 63 72 GLU N 0.096 0.001 . . 64 73 GLU N 0.090 0.002 . . 65 74 ASP N 0.090 0.001 . . 66 75 LEU N 0.075 0.002 . . 67 76 THR N 0.077 0.002 . . 68 78 ILE N 0.088 0.002 . . 69 79 ASP N 0.085 0.002 . . 70 81 ARG N 0.099 0.001 . . 71 83 CYS N 0.086 0.002 . . 72 84 MET N 0.093 0.002 . . 73 85 THR N 0.092 0.002 . . 74 86 THR N 0.089 0.001 . . 75 87 VAL N 0.091 0.003 . . 76 88 SER N 0.086 0.002 . . 77 89 TRP N 0.092 0.002 . . 78 90 ASP N 0.093 0.003 . . 79 91 GLY N 0.098 0.002 . . 80 92 ASP N 0.097 0.004 . . 81 94 LEU N 0.090 0.002 . . 82 96 CYS N 0.093 0.003 . . 83 97 VAL N 0.088 0.002 . . 84 98 GLN N 0.096 0.002 . . 85 99 LYS N 0.089 0.001 . . 86 100 GLY N 0.094 0.001 . . 87 101 GLU N 0.094 0.002 . . 88 102 LYS N 0.100 0.001 . . 89 103 GLU N 0.092 0.001 . . 90 104 GLY N 0.092 0.001 . . 91 105 ARG N 0.090 0.001 . . 92 107 TRP N 0.083 0.001 . . 93 108 THR N 0.085 0.002 . . 94 109 GLN N 0.088 0.002 . . 95 110 TRP N 0.079 0.002 . . 96 111 ILE N 0.086 0.003 . . 97 112 GLU N 0.106 0.002 . . 98 113 GLY N 0.088 0.002 . . 99 114 ASP N 0.073 0.001 . . 100 115 GLU N 0.088 0.002 . . 101 116 LEU N 0.085 0.002 . . 102 117 HIS N 0.079 0.001 . . 103 118 LEU N 0.085 0.001 . . 104 119 GLU N 0.085 0.001 . . 105 120 MET N 0.089 0.001 . . 106 121 ARG N 0.090 0.002 . . 107 122 ALA N 0.093 0.001 . . 108 123 GLU N 0.087 0.002 . . 109 124 GLY N 0.088 0.001 . . 110 125 VAL N 0.090 0.001 . . 111 127 CYS N 0.084 0.001 . . 112 128 LYS N 0.084 0.001 . . 113 130 VAL N 0.083 0.001 . . 114 131 PHE N 0.086 0.002 . . 115 132 LYS N 0.086 0.002 . . 116 133 LYS N 0.089 0.001 . . 117 134 VAL N 0.094 0.002 . . 118 135 HIS N 0.104 0.001 . . 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 0.263 0.050 4 ASP 0.399 0.050 5 PHE 0.759 0.050 6 ASN 0.796 0.050 7 GLY 0.743 0.050 8 TYR 0.765 0.050 9 TRP 0.785 0.050 10 LYS 0.727 0.050 11 MET 0.834 0.050 13 SER 0.807 0.050 15 GLU 0.739 0.050 16 ASN 0.796 0.050 18 GLU 0.795 0.050 19 GLU 0.777 0.050 20 TYR 0.791 0.050 21 LEU 0.751 0.050 22 ARG 0.820 0.050 23 ALA 0.817 0.050 24 LEU 0.757 0.050 25 ASP 0.782 0.050 26 VAL 0.742 0.050 27 ASN 0.686 0.050 28 VAL 0.740 0.050 29 ALA 0.790 0.050 30 LEU 0.798 0.050 31 ARG 0.769 0.050 32 LYS 0.742 0.050 33 ILE 0.731 0.050 34 ALA 0.804 0.050 35 ASN 0.796 0.050 36 LEU 0.705 0.050 37 LEU 0.753 0.050 40 ASP 0.754 0.050 41 LYS 0.802 0.050 42 GLU 0.793 0.050 43 ILE 0.840 0.050 44 VAL 0.813 0.050 45 GLN 0.792 0.050 46 ASP 0.807 0.050 47 GLY 0.693 0.050 49 HIS 0.786 0.050 50 MET 0.782 0.050 51 ILE 0.780 0.050 52 ILE 0.804 0.050 53 ARG 0.798 0.050 54 THR 0.722 0.050 55 LEU 0.770 0.050 56 SER 0.800 0.050 57 THR 0.835 0.050 58 PHE 0.690 0.050 59 ARG 0.724 0.050 60 ASN 0.750 0.050 61 TYR 0.808 0.050 62 ILE 0.778 0.050 63 MET 0.774 0.050 64 ASP 0.724 0.050 66 GLN 0.775 0.050 67 VAL 0.788 0.050 68 GLY 0.769 0.050 69 LYS 0.835 0.050 70 GLU 0.729 0.050 71 PHE 0.849 0.050 72 GLU 0.745 0.050 73 GLU 0.828 0.050 74 ASP 0.760 0.050 75 LEU 0.840 0.050 76 THR 0.794 0.050 78 ILE 0.771 0.050 79 ASP 0.744 0.050 81 ARG 0.796 0.050 84 MET 0.808 0.050 85 THR 0.828 0.050 86 THR 0.743 0.050 87 VAL 0.770 0.050 88 SER 0.806 0.050 89 TRP 0.720 0.050 90 ASP 0.853 0.050 91 GLY 0.866 0.050 92 ASP 0.798 0.050 94 LEU 0.683 0.050 96 CYS 0.838 0.050 97 VAL 0.786 0.050 98 GLN 0.824 0.050 99 LYS 0.798 0.050 100 GLY 0.772 0.050 101 GLU 0.745 0.050 102 LYS 0.794 0.050 103 GLU 0.740 0.050 104 GLY 0.742 0.050 105 ARG 0.826 0.050 107 TRP 0.795 0.050 108 THR 0.772 0.050 109 GLN 0.824 0.050 110 TRP 0.833 0.050 111 ILE 0.851 0.050 112 GLU 0.741 0.050 113 GLY 0.784 0.050 114 ASP 0.758 0.050 115 GLU 0.745 0.050 116 LEU 0.824 0.050 117 HIS 0.815 0.050 118 LEU 0.843 0.050 119 GLU 0.759 0.050 120 MET 0.814 0.050 121 ARG 0.854 0.050 122 ALA 0.779 0.050 123 GLU 0.758 0.050 124 GLY 0.759 0.050 125 VAL 0.800 0.050 127 CYS 0.788 0.050 128 LYS 0.762 0.050 130 VAL 0.819 0.050 131 PHE 0.821 0.050 132 LYS 0.807 0.050 133 LYS 0.737 0.050 134 VAL 0.706 0.050 135 HIS 0.596 0.050 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 3 VAL 0.343 0.050 4 ASP 0.585 0.050 5 PHE 0.775 0.050 6 ASN 0.856 0.050 7 GLY 0.833 0.050 8 TYR 0.808 0.050 9 TRP 0.839 0.050 10 LYS 0.794 0.050 11 MET 0.782 0.050 13 SER 0.813 0.050 15 GLU 0.785 0.050 16 ASN 0.841 0.050 18 GLU 0.813 0.050 19 GLU 0.807 0.050 20 TYR 0.862 0.050 21 LEU 0.833 0.050 22 ARG 0.846 0.050 23 ALA 0.835 0.050 24 LEU 0.805 0.050 25 ASP 0.828 0.050 26 VAL 0.810 0.050 27 ASN 0.763 0.050 28 VAL 0.793 0.050 29 ALA 0.761 0.050 30 LEU 0.792 0.050 31 ARG 0.804 0.050 32 LYS 0.783 0.050 33 ILE 0.777 0.050 34 ALA 0.819 0.050 35 ASN 0.791 0.050 36 LEU 0.737 0.050 37 LEU 0.757 0.050 40 ASP 0.777 0.050 41 LYS 0.864 0.050 42 GLU 0.812 0.050 43 ILE 0.814 0.050 44 VAL 0.844 0.050 45 GLN 0.811 0.050 46 ASP 0.815 0.050 47 GLY 0.782 0.050 49 HIS 0.799 0.050 50 MET 0.779 0.050 51 ILE 0.811 0.050 52 ILE 0.827 0.050 53 ARG 0.824 0.050 54 THR 0.819 0.050 55 LEU 0.817 0.050 56 SER 0.807 0.050 57 THR 0.800 0.050 58 PHE 0.753 0.050 59 ARG 0.773 0.050 60 ASN 0.819 0.050 61 TYR 0.837 0.050 62 ILE 0.851 0.050 63 MET 0.846 0.050 64 ASP 0.812 0.050 66 GLN 0.815 0.050 67 VAL 0.806 0.050 68 GLY 0.833 0.050 69 LYS 0.828 0.050 70 GLU 0.806 0.050 71 PHE 0.829 0.050 72 GLU 0.819 0.050 73 GLU 0.821 0.050 74 ASP 0.821 0.050 75 LEU 0.816 0.050 76 THR 0.815 0.050 78 ILE 0.837 0.050 79 ASP 0.831 0.050 81 ARG 0.822 0.050 83 CYS 0.816 0.050 84 MET 0.845 0.050 85 THR 0.844 0.050 86 THR 0.815 0.050 87 VAL 0.824 0.050 88 SER 0.828 0.050 89 TRP 0.835 0.050 90 ASP 0.837 0.050 91 GLY 0.845 0.050 92 ASP 0.790 0.050 94 LEU 0.798 0.050 96 CYS 0.839 0.050 97 VAL 0.865 0.050 98 GLN 0.814 0.050 99 LYS 0.833 0.050 100 GLY 0.819 0.050 101 GLU 0.809 0.050 102 LYS 0.802 0.050 103 GLU 0.799 0.050 104 GLY 0.843 0.050 105 ARG 0.840 0.050 107 TRP 0.868 0.050 108 THR 0.812 0.050 109 GLN 0.828 0.050 110 TRP 0.822 0.050 111 ILE 0.806 0.050 112 GLU 0.805 0.050 113 GLY 0.812 0.050 114 ASP 0.794 0.050 115 GLU 0.792 0.050 116 LEU 0.824 0.050 117 HIS 0.817 0.050 118 LEU 0.856 0.050 119 GLU 0.830 0.050 120 MET 0.831 0.050 121 ARG 0.840 0.050 122 ALA 0.823 0.050 123 GLU 0.835 0.050 124 GLY 0.800 0.050 127 CYS 0.816 0.050 128 LYS 0.827 0.050 130 VAL 0.809 0.050 131 PHE 0.837 0.050 132 LYS 0.816 0.050 133 LYS 0.792 0.050 134 VAL 0.782 0.050 135 HIS 0.665 0.050 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 . 0.595 0.015 400.000 77.006 . . . . . . . . . . 4 ASP N . 0.749 0.009 77.371 9.213 . . . . . . . . . . 5 PHE N . 0.849 0.015 . . . . . . . . . . . . 6 ASN N . 0.843 0.011 . . . . . . . . . . . . 7 GLY N . 0.878 0.006 . . . . . . . . . . . . 8 TYR N . 0.874 0.007 . . . . . . . . . . . . 9 TRP N . 0.882 0.006 . . . . . . . . . . . . 10 LYS N . 0.869 0.008 . . . . . . . . . . . . 11 MET N . 0.909 0.007 21.679 21.142 . . . . . . . . . . 13 SER N . 0.846 0.006 . . . . . . . . . . . . 15 GLU N . 0.797 0.006 . . . . . . . . . . . . 16 ASN N . 0.898 0.007 . . . . . . . . . . . . 18 GLU N . 0.888 0.007 . . . . . . . . . . . . 19 GLU N . 0.881 0.005 . . . . . . . . . . . . 20 TYR N . 0.917 0.006 . . . . . . . . . . . . 21 LEU N . 0.940 0.005 . . . . . . . . . . . . 22 ARG N . 0.939 0.008 . . . . . . . . . . . . 23 ALA N . 0.951 0.013 . . . . . . . . . . . . 24 LEU N . 0.872 0.005 . . . . . . . . . . . . 25 ASP N . 0.920 0.007 48.529 24.648 . . . . . . . . . . 26 VAL N . 0.929 0.006 . . . . . . . . . . . . 27 ASN N . 0.845 0.005 48.755 11.817 . . . . . . . . . . 28 VAL N . 0.877 0.004 . . . . . . . . . . . . 29 ALA N . 0.900 0.004 26.488 17.725 . . . . . . . . . . 30 LEU N . 0.861 0.006 . . . . . . . . . . . . 31 ARG N . 0.899 0.007 . . . . . . . . . . . . 32 LYS N . 0.883 0.007 . . . . . . . . . . . . 33 ILE N . 0.852 0.007 18.938 12.763 . . . . . . . . . . 34 ALA N . 0.898 0.008 . . . . . . . . . . . . 35 ASN N . 0.876 0.006 . . . . . . . . . . . . 36 LEU N . 0.856 0.007 40.345 12.910 . . . . . . . . . . 37 LEU N . 0.860 0.006 23.733 12.853 . . . . . . . . . . 40 ASP N . 0.848 0.006 29.287 11.913 . . . . . . . . . . 41 LYS N . 0.870 0.006 . . . . . . . . . . . . 42 GLU N . 0.849 0.006 . . . . . . . . . . . . 43 ILE N . 0.900 0.007 . . . . . . . . . . . . 44 VAL N . 0.865 0.006 . . . . . . . . . . . . 45 GLN N . 0.871 0.008 . . . . . . . . . . . . 46 ASP N . 0.856 0.008 . . . . . . . . . . . . 47 GLY N . 0.857 0.011 34.058 14.052 . . . . . . . . . . 49 HIS N . 0.869 0.011 . . . . . . . . . . . . 50 MET N . 0.890 0.011 . . . . . . . . . . . . 51 ILE N . 0.832 0.006 . . . . . . . . . . . . 52 ILE N . 0.875 0.009 . . . . . . . . . . . . 53 ARG N . 0.870 0.007 . . . . . . . . . . . . 54 THR N . 0.879 0.009 . . . . . . . . . . . . 55 LEU N . 0.901 0.008 . . . . . . . . . . . . 56 SER N . 0.866 0.006 31.921 13.380 . . . . . . . . . . 57 THR N . 0.851 0.011 . . . . . . . . . . . . 58 PHE N . 0.838 0.005 64.120 10.398 . . . . . . . . . . 59 ARG N . 0.813 0.008 39.989 9.712 . . . . . . . . . . 60 ASN N . 0.864 0.006 27.654 13.050 . . . . . . . . . . 61 TYR N . 0.858 0.006 . . . . . . . . . . . . 62 ILE N . 0.890 0.008 . . . . . . . . . . . . 63 MET N . 0.887 0.009 . . . . . . . . . . . . 64 ASP N . 0.817 0.008 . . . . . . . . . . . . 66 GLN N . 0.856 0.007 . . . . . . . . . . . . 67 VAL N . 0.895 0.006 . . . . . . . . . . . . 68 GLY N . 0.887 0.010 . . . . . . . . . . . . 69 LYS N . 0.862 0.008 . . . . . . . . . . . . 70 GLU N . 0.836 0.007 . . . . . . . . . . . . 71 PHE N . 0.962 0.007 . . . . . . . . . . . . 72 GLU N . 0.846 0.005 . . . . . . . . . . . . 73 GLU N . 0.909 0.007 . . . . . . . . . . . . 74 ASP N . 0.836 0.007 . . . . . . . . . . . . 75 LEU N . 0.867 0.009 . . . . . . . . . . . . 76 THR N . 0.880 0.011 . . . . . . . . . . . . 78 ILE N . 0.891 0.008 . . . . . . . . . . . . 79 ASP N . 0.853 0.010 . . . . . . . . . . . . 81 ARG N . 0.795 0.007 . . . . . . . . . . . . 83 CYS N . 0.868 0.008 . . . . . . . . . . . . 84 MET N . 0.874 0.006 . . . . . . . . . . . . 85 THR N . 0.893 0.007 . . . . . . . . . . . . 86 THR N . 0.882 0.008 . . . . . . . . . . . . 87 VAL N . 0.907 0.012 . . . . . . . . . . . . 88 SER N . 0.874 0.008 . . . . . . . . . . . . 89 TRP N . 0.855 0.013 . . . . . . . . . . . . 90 ASP N . 0.871 0.012 . . . . . . . . . . . . 91 GLY N . 0.854 0.010 . . . . . . . . . . . . 92 ASP N . 0.879 0.015 19.068 17.505 . . . . . . . . . . 94 LEU N . 0.871 0.014 21.640 16.225 . . . . . . . . . . 96 CYS N . 0.878 0.010 . . . . . . . . . . . . 97 VAL N . 0.908 0.007 . . . . . . . . . . . . 98 GLN N . 0.869 0.007 13.539 14.407 . . . . . . . . . . 99 LYS N . 0.871 0.008 . . . . . . . . . . . . 100 GLY N . 0.883 0.004 17.436 15.257 . . . . . . . . . . 101 GLU N . 0.892 0.009 43.521 18.862 . . . . . . . . . . 102 LYS N . 0.822 0.007 14.849 10.507 . . . . . . . . . . 103 GLU N . 0.823 0.010 8.597 11.284 . . . . . . . . . . 104 GLY N . 0.859 0.007 . . . . . . . . . . . . 105 ARG N . 0.897 0.005 . . . . . . . . . . . . 107 TRP N . 0.899 0.008 . . . . . . . . . . . . 108 THR N . 0.843 0.009 . . . . . . . . . . . . 109 GLN N . 0.895 0.007 . . . . . . . . . . . . 110 TRP N . 0.880 0.010 . . . . . . . . . . . . 111 ILE N . 0.850 0.010 . . . . . . . . . . . . 112 GLU N . 0.796 0.010 0.000 0.133 . . . . . . . . . . 113 GLY N . 0.887 0.009 . . . . . . . . . . . . 114 ASP N . 0.861 0.007 . . . . . . . . . . . . 115 GLU N . 0.897 0.007 . . . . . . . . . . . . 116 LEU N . 0.869 0.008 . . . . . . . . . . . . 117 HIS N . 0.857 0.010 . . . . . . . . . . . . 118 LEU N . 0.884 0.008 . . . . . . . . . . . . 119 GLU N . 0.873 0.008 . . . . . . . . . . . . 120 MET N . 0.853 0.008 . . . . . . . . . . . . 121 ARG N . 0.901 0.006 . . . . . . . . . . . . 122 ALA N . 0.886 0.004 . . . . . . . . . . . . 123 GLU N . 0.896 0.006 . . . . . . . . . . . . 124 GLY N . 0.881 0.006 . . . . . . . . . . . . 125 VAL N . 0.906 0.007 61.290 27.163 . . . . . . . . . . 127 CYS N . 0.884 0.008 . . . . . . . . . . . . 128 LYS N . 0.855 0.007 . . . . . . . . . . . . 130 VAL N . 0.844 0.008 . . . . . . . . . . . . 131 PHE N . 0.867 0.008 . . . . . . . . . . . . 132 LYS N . 0.855 0.006 . . . . . . . . . . . . 133 LYS N . 0.906 0.008 51.356 21.285 . . . . . . . . . . 134 VAL N . 0.881 0.008 59.313 16.650 . . . . . . . . . . 135 HIS N . 0.771 0.006 57.869 8.048 . . . . . . . . . . stop_ _Tau_s_value_units . save_