data_26525 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure, Dynamics, and Kinetics of Weak Protein Protein Complexes from NMR Spin Relaxation Measurements of Titrated Solutions ; _BMRB_accession_number 26525 _BMRB_flat_file_name bmr26525.str _Entry_type original _Submission_date 2015-02-26 _Accession_date 2015-02-26 _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 Salmon Loic . . 2 'Ortega Roldan' Jose-Luis . . 3 Lescop Ewen . . 4 Licinio Antoine . . 5 'van Nuland' Nico . . 6 Jensen Malene R. . 7 Blackledge Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count T1_relaxation 8 T2_relaxation 8 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 456 "T2 relaxation values" 456 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-11 original author . stop_ _Original_release_date 2015-03-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure, dynamics, and kinetics of weak protein-protein complexes from NMR spin relaxation measurements of titrated solutions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21425222 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Salmon Loic . . 2 'Ortega Roldan' Jose-Luis . . 3 Lescop Ewen . . 4 Licinio Antoine . . 5 'van Nuland' Nico . . 6 Jensen Malene R. . 7 Blackledge Martin . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_volume 50 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3755 _Page_last 3759 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CD2AP SH3 domain complex with Ubiquitin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CD2AP SH3 Domain' $SH3_domain Ubiquitin $Ubiquitin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SH3_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SH3_domain _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; GKIKAKEYCRTLFAYEGTNN DELTFKEGEIIHLISKETGE AGWWRGELNGKEGVFPDNFA VQINE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 LYS 3 3 ILE 4 4 LYS 5 5 ALA 6 6 LYS 7 7 GLU 8 8 TYR 9 9 CYS 10 10 ARG 11 11 THR 12 12 LEU 13 13 PHE 14 14 ALA 15 15 TYR 16 16 GLU 17 17 GLY 18 18 THR 19 19 ASN 20 20 ASN 21 21 ASP 22 22 GLU 23 23 LEU 24 24 THR 25 25 PHE 26 26 LYS 27 27 GLU 28 28 GLY 29 29 GLU 30 30 ILE 31 31 ILE 32 32 HIS 33 33 LEU 34 34 ILE 35 35 SER 36 36 LYS 37 37 GLU 38 38 THR 39 39 GLY 40 40 GLU 41 41 ALA 42 42 GLY 43 43 TRP 44 44 TRP 45 45 ARG 46 46 GLY 47 47 GLU 48 48 LEU 49 49 ASN 50 50 GLY 51 51 LYS 52 52 GLU 53 53 GLY 54 54 VAL 55 55 PHE 56 56 PRO 57 57 ASP 58 58 ASN 59 59 PHE 60 60 ALA 61 61 VAL 62 62 GLN 63 63 ILE 64 64 ASN 65 65 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-25 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 GB EGW10641 "putative G-protein coupled receptor 111 [Cricetulus griseus]" 53.85 1424 97.14 97.14 1.24e-13 stop_ save_ save_Ubiquitin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubiquitin _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 82 _Mol_residue_sequence ; HHHHHHMQIFVKTLTGKTIT LEVEPSDTIENVKAKIQDKE GIPPDQQRLIFAGKQLEDGR TLSDYNIQKESTLHLVLRLR GG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 HIS 2 -4 HIS 3 -3 HIS 4 -2 HIS 5 -1 HIS 6 0 HIS 7 1 MET 8 2 GLN 9 3 ILE 10 4 PHE 11 5 VAL 12 6 LYS 13 7 THR 14 8 LEU 15 9 THR 16 10 GLY 17 11 LYS 18 12 THR 19 13 ILE 20 14 THR 21 15 LEU 22 16 GLU 23 17 VAL 24 18 GLU 25 19 PRO 26 20 SER 27 21 ASP 28 22 THR 29 23 ILE 30 24 GLU 31 25 ASN 32 26 VAL 33 27 LYS 34 28 ALA 35 29 LYS 36 30 ILE 37 31 GLN 38 32 ASP 39 33 LYS 40 34 GLU 41 35 GLY 42 36 ILE 43 37 PRO 44 38 PRO 45 39 ASP 46 40 GLN 47 41 GLN 48 42 ARG 49 43 LEU 50 44 ILE 51 45 PHE 52 46 ALA 53 47 GLY 54 48 LYS 55 49 GLN 56 50 LEU 57 51 GLU 58 52 ASP 59 53 GLY 60 54 ARG 61 55 THR 62 56 LEU 63 57 SER 64 58 ASP 65 59 TYR 66 60 ASN 67 61 ILE 68 62 GLN 69 63 LYS 70 64 GLU 71 65 SER 72 66 THR 73 67 LEU 74 68 HIS 75 69 LEU 76 70 VAL 77 71 LEU 78 72 ARG 79 73 LEU 80 74 ARG 81 75 GLY 82 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SH3_domain Human 9606 Eukaryota Metazoa Homo sapiens $Ubiquitin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SH3_domain 'recombinant technology' . Escherichia coli . BL21(DE3) $Ubiquitin 'recombinant technology' . Escherichia coli . BL21(DE3) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_SH3_free _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SH3_domain 0.250 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 8 % 'natural abundance' H2O 92 % 'natural abundance' stop_ save_ save_sample_Ubiquitin_free _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubiquitin 0.250 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 8 % 'natural abundance' H2O 92 % 'natural abundance' stop_ save_ save_sample_mixture_p1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubiquitin 0.173 mM '[U-100% 15N]' $SH3_domain 0.554 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 8 % 'natural abundance' H2O 92 % 'natural abundance' stop_ save_ save_sample_mixture_p2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubiquitin 0.231 mM '[U-100% 15N]' $SH3_domain 0.345 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 8 % 'natural abundance' H2O 92 % 'natural abundance' stop_ save_ save_sample_mixture_p3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubiquitin 0.387 mM '[U-100% 15N]' $SH3_domain 0.185 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 8 % 'natural abundance' H2O 92 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'NMR Direct-Drive Systems' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC 1' _Sample_label $sample_SH3_free save_ save_1H-15N_HSQC_2_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC 2' _Sample_label $sample_Ubiquitin_free save_ save_1H-15N_HSQC_3_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC 3' _Sample_label $sample_mixture_p1 save_ save_1H-15N_HSQC_4_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC 4' _Sample_label $sample_mixture_p2 save_ save_1H-15N_HSQC_5_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC 5' _Sample_label $sample_mixture_p3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 308 . K pH 6.0 . pH pressure 1 . atm stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_SH3_free stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'CD2AP SH3 Domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 ALA N 1.290 0.022 2 6 LYS N 1.621 0.025 3 7 GLU N 2.134 0.022 4 8 TYR N 2.268 0.025 5 9 CYS N 2.390 0.030 6 10 ARG N 2.418 0.030 7 11 THR N 2.429 0.026 8 13 PHE N 2.282 0.022 9 15 TYR N 2.298 0.023 10 16 GLU N 2.175 0.021 11 17 GLY N 2.236 0.025 12 18 THR N 2.472 0.026 13 19 ASN N 2.074 0.017 14 20 ASN N 2.134 0.027 15 21 ASP N 2.238 0.020 16 23 LEU N 2.390 0.037 17 24 THR N 2.025 0.022 18 25 PHE N 2.453 0.024 19 26 LYS N 2.312 0.029 20 27 GLU N 2.295 0.020 21 28 GLY N 2.396 0.028 22 29 GLU N 2.303 0.020 23 31 ILE N 2.334 0.030 24 33 LEU N 2.421 0.027 25 34 ILE N 2.261 0.036 26 35 SER N 2.297 0.023 27 37 GLU N 2.164 0.020 28 38 THR N 2.052 0.030 29 39 GLY N 2.222 0.032 30 40 GLU N 2.114 0.017 31 41 ALA N 2.125 0.020 32 43 TRP N 2.305 0.026 33 45 ARG N 2.326 0.031 34 46 GLY N 2.409 0.029 35 47 GLU N 2.347 0.025 36 48 LEU N 2.403 0.031 37 49 ASN N 2.342 0.042 38 50 GLY N 2.239 0.026 39 51 LYS N 2.287 0.019 40 53 GLY N 2.335 0.024 41 54 VAL N 2.457 0.029 42 55 PHE N 2.183 0.026 43 57 ASP N 2.327 0.023 44 58 ASN N 2.129 0.020 45 59 PHE N 2.352 0.033 46 60 ALA N 2.385 0.027 47 61 VAL N 2.328 0.024 48 63 ILE N 2.302 0.032 49 64 ASN N 1.972 0.016 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details ; Ubiquitin percent bound = 69.5 % SH3 pecent bound = 21.7 % ; loop_ _Sample_label $sample_mixture_p1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'CD2AP SH3 Domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 ALA N 1.278 0.037 2 6 LYS N 1.555 0.030 3 7 GLU N 2.015 0.008 4 8 TYR N 2.100 0.008 5 9 CYS N 2.245 0.011 6 10 ARG N 2.267 0.009 7 11 THR N 2.282 0.008 8 13 PHE N 2.113 0.009 9 15 TYR N 2.160 0.010 10 16 GLU N 2.025 0.008 11 17 GLY N 2.115 0.008 12 18 THR N 2.306 0.009 13 19 ASN N 1.974 0.009 14 20 ASN N 1.990 0.052 15 21 ASP N 2.087 0.010 16 23 LEU N 2.197 0.014 17 24 THR N 1.931 0.007 18 25 PHE N 2.254 0.007 19 26 LYS N 2.148 0.009 20 27 GLU N 2.145 0.007 21 28 GLY N 2.266 0.012 22 29 GLU N 2.131 0.009 23 31 ILE N 2.186 0.009 24 33 LEU N 2.269 0.009 25 34 ILE N 2.115 0.014 26 35 SER N 2.136 0.009 27 37 GLU N 2.028 0.008 28 38 THR N 1.967 0.022 29 39 GLY N 2.118 0.039 30 40 GLU N 1.996 0.005 31 41 ALA N 2.116 0.009 32 43 TRP N 2.133 0.008 33 45 ARG N 2.170 0.009 34 46 GLY N 2.261 0.009 35 47 GLU N 2.220 0.008 36 48 LEU N 2.238 0.009 37 49 ASN N 2.132 0.074 38 50 GLY N 2.130 0.008 39 51 LYS N 2.108 0.006 40 53 GLY N 2.236 0.008 41 54 VAL N 2.294 0.014 42 55 PHE N 2.044 0.011 43 57 ASP N 2.172 0.009 44 58 ASN N 2.023 0.012 45 59 PHE N 2.202 0.015 46 60 ALA N 2.215 0.008 47 61 VAL N 2.176 0.007 48 63 ILE N 2.189 0.009 49 64 ASN N 1.895 0.004 stop_ save_ save_heteronuclear_T1_list_3 _Saveframe_category T1_relaxation _Details ; Ubiquitin percent bound = 53.8 % SH3 pecent bound = 36.0 % ; loop_ _Sample_label $sample_mixture_p2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'CD2AP SH3 Domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 ALA N 1.286 0.048 2 6 LYS N 1.526 0.042 3 7 GLU N 1.936 0.017 4 8 TYR N 2.017 0.025 5 9 CYS N 2.113 0.029 6 10 ARG N 2.161 0.026 7 11 THR N 2.187 0.019 8 13 PHE N 2.040 0.021 9 15 TYR N 2.051 0.021 10 16 GLU N 1.963 0.025 11 17 GLY N 2.036 0.020 12 18 THR N 2.224 0.022 13 19 ASN N 1.879 0.016 14 20 ASN N 1.983 0.044 15 21 ASP N 2.006 0.016 16 23 LEU N 2.145 0.022 17 24 THR N 1.841 0.018 18 25 PHE N 2.144 0.024 19 26 LYS N 1.995 0.033 20 27 GLU N 2.027 0.022 21 28 GLY N 2.167 0.024 22 29 GLU N 2.028 0.020 23 31 ILE N 2.083 0.027 24 33 LEU N 2.164 0.028 25 34 ILE N 2.012 0.033 26 35 SER N 2.021 0.017 27 37 GLU N 1.956 0.019 28 38 THR N 1.864 0.032 29 39 GLY N 2.049 0.037 30 40 GLU N 1.899 0.013 31 41 ALA N 1.959 0.027 32 43 TRP N 2.085 0.022 33 45 ARG N 2.098 0.025 34 46 GLY N 2.157 0.021 35 47 GLU N 2.104 0.019 36 48 LEU N 2.143 0.018 37 49 ASN N 2.049 0.079 38 50 GLY N 2.038 0.025 39 51 LYS N 2.036 0.022 40 53 GLY N 2.141 0.017 41 54 VAL N 2.165 0.027 42 55 PHE N 1.977 0.030 43 57 ASP N 2.071 0.025 44 58 ASN N 1.961 0.019 45 59 PHE N 2.125 0.022 46 60 ALA N 2.152 0.016 47 61 VAL N 2.073 0.019 48 63 ILE N 2.099 0.022 49 64 ASN N 1.893 0.011 stop_ save_ save_heteronuclear_T1_list_4 _Saveframe_category T1_relaxation _Details ; Ubiquitin percent bound = 28.4 % SH3 pecent bound = 59.3 % ; loop_ _Sample_label $sample_mixture_p3 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'CD2AP SH3 Domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 ALA N 1.297 0.036 2 6 LYS N 1.503 0.031 3 7 GLU N 1.820 0.026 4 8 TYR N 1.850 0.023 5 9 CYS N 2.001 0.032 6 10 ARG N 2.011 0.030 7 11 THR N 2.008 0.026 8 13 PHE N 1.842 0.021 9 15 TYR N 1.955 0.026 10 16 GLU N 1.774 0.022 11 17 GLY N 1.874 0.028 12 18 THR N 2.078 0.030 13 19 ASN N 1.749 0.022 14 20 ASN N 1.862 0.095 15 21 ASP N 1.855 0.021 16 23 LEU N 1.993 0.028 17 24 THR N 1.729 0.022 18 25 PHE N 1.953 0.021 19 26 LYS N 1.839 0.032 20 27 GLU N 1.863 0.021 21 28 GLY N 2.050 0.034 22 29 GLU N 1.878 0.023 23 31 ILE N 1.979 0.033 24 33 LEU N 2.036 0.040 25 34 ILE N 1.846 0.041 26 35 SER N 1.866 0.024 27 37 GLU N 1.799 0.020 28 38 THR N 1.664 0.030 29 39 GLY N 1.929 0.057 30 40 GLU N 1.782 0.016 31 41 ALA N 1.788 0.030 32 43 TRP N 1.965 0.027 33 45 ARG N 2.006 0.033 34 46 GLY N 2.009 0.027 35 47 GLU N 1.926 0.025 36 48 LEU N 1.986 0.025 37 49 ASN N 1.984 0.051 38 50 GLY N 1.879 0.025 39 51 LYS N 1.870 0.019 40 53 GLY N 1.925 0.023 41 54 VAL N 2.047 0.039 42 55 PHE N 1.851 0.037 43 57 ASP N 1.955 0.029 44 58 ASN N 1.853 0.020 45 59 PHE N 1.964 0.026 46 60 ALA N 2.006 0.019 47 61 VAL N 1.897 0.022 48 63 ILE N 1.959 0.029 49 64 ASN N 1.771 0.012 stop_ save_ save_heteronuclear_T1_list_5 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_Ubiquitin_free stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Ubiquitin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 8 GLN N 2.010 0.018 2 10 PHE N 2.244 0.022 3 11 VAL N 2.086 0.021 4 12 LYS N 2.238 0.029 5 13 THR N 2.090 0.018 6 14 LEU N 2.168 0.063 7 15 THR N 1.991 0.087 8 16 GLY N 2.054 0.030 9 17 LYS N 1.875 0.029 10 18 THR N 2.098 0.026 11 19 ILE N 2.125 0.023 12 20 THR N 2.109 0.019 13 21 LEU N 2.179 0.018 14 22 GLU N 1.915 0.015 15 23 VAL N 2.117 0.025 16 24 GLU N 1.959 0.016 17 26 SER N 2.012 0.025 18 28 THR N 2.195 0.025 19 31 ASN N 2.211 0.019 20 32 VAL N 2.239 0.014 21 33 LYS N 2.314 0.025 22 34 ALA N 2.274 0.014 23 35 LYS N 2.256 0.023 24 36 ILE N 2.247 0.019 25 37 GLN N 2.280 0.017 26 38 ASP N 2.201 0.016 27 39 LYS N 2.087 0.020 28 40 GLU N 2.116 0.022 29 41 GLY N 2.074 0.035 30 42 ILE N 1.682 0.024 31 45 ASP N 2.232 0.017 32 46 GLN N 2.144 0.021 33 47 GLN N 2.165 0.021 34 48 ARG N 2.215 0.030 35 49 LEU N 2.127 0.023 36 50 ILE N 2.181 0.019 37 51 PHE N 2.188 0.020 38 52 ALA N 2.204 0.072 39 53 GLY N 2.186 0.025 40 54 LYS N 2.005 0.025 41 55 GLN N 2.028 0.014 42 57 GLU N 1.976 0.021 43 58 ASP N 1.865 0.013 44 59 GLY N 2.226 0.018 45 60 ARG N 1.970 0.035 46 61 THR N 2.175 0.023 47 62 LEU N 2.285 0.019 48 63 SER N 2.189 0.017 49 65 TYR N 2.113 0.021 50 66 ASN N 2.242 0.023 51 67 ILE N 2.167 0.024 52 68 GLN N 1.846 0.017 53 69 LYS N 2.043 0.018 54 70 GLU N 2.208 0.023 55 71 SER N 2.119 0.020 56 72 THR N 2.132 0.021 57 74 HIS N 2.165 0.025 58 75 LEU N 2.202 0.021 59 76 VAL N 2.193 0.023 60 77 LEU N 2.093 0.016 61 78 ARG N 2.067 0.029 62 79 LEU N 1.960 0.028 63 80 ARG N 1.714 0.072 64 81 GLY N 1.472 0.051 65 82 GLY N 1.302 0.065 stop_ save_ save_heteronuclear_T1_list_6 _Saveframe_category T1_relaxation _Details ; Ubiquitin percent bound = 69.5 % SH3 pecent bound = 21.7 % ; loop_ _Sample_label $sample_mixture_p1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Ubiquitin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 8 GLN N 1.799 0.029 2 10 PHE N 1.892 0.034 3 11 VAL N 1.819 0.031 4 12 LYS N 1.887 0.055 5 13 THR N 1.861 0.032 6 14 LEU N 1.936 0.054 7 15 THR N 1.638 0.181 8 16 GLY N 1.860 0.044 9 17 LYS N 1.714 0.043 10 18 THR N 1.791 0.040 11 19 ILE N 1.789 0.040 12 20 THR N 1.774 0.029 13 21 LEU N 1.888 0.032 14 22 GLU N 1.697 0.019 15 23 VAL N 1.842 0.025 16 24 GLU N 1.749 0.026 17 26 SER N 1.699 0.025 18 28 THR N 1.783 0.030 19 31 ASN N 1.929 0.032 20 32 VAL N 1.945 0.021 21 33 LYS N 1.986 0.038 22 34 ALA N 1.933 0.021 23 35 LYS N 1.925 0.032 24 36 ILE N 1.891 0.033 25 37 GLN N 1.945 0.026 26 38 ASP N 1.839 0.021 27 39 LYS N 1.777 0.031 28 40 GLU N 1.822 0.041 29 41 GLY N 1.775 0.038 30 42 ILE N 1.457 0.035 31 45 ASP N 1.915 0.024 32 46 GLN N 1.730 0.030 33 47 GLN N 1.758 0.033 34 48 ARG N 1.802 0.067 35 49 LEU N 1.779 0.031 36 50 ILE N 1.826 0.037 37 51 PHE N 1.812 0.042 38 52 ALA N 1.803 0.102 39 53 GLY N 1.808 0.048 40 54 LYS N 1.707 0.033 41 55 GLN N 1.702 0.023 42 57 GLU N 1.689 0.032 43 58 ASP N 1.551 0.017 44 59 GLY N 1.850 0.030 45 60 ARG N 1.680 0.036 46 61 THR N 1.817 0.037 47 62 LEU N 1.902 0.028 48 63 SER N 1.855 0.024 49 65 TYR N 1.781 0.027 50 66 ASN N 1.825 0.031 51 67 ILE N 1.876 0.029 52 68 GLN N 1.522 0.022 53 69 LYS N 1.731 0.026 54 70 GLU N 1.894 0.040 55 71 SER N 1.860 0.034 56 72 THR N 1.737 0.028 57 74 HIS N 1.815 0.044 58 75 LEU N 1.886 0.032 59 76 VAL N 1.840 0.040 60 77 LEU N 1.782 0.031 61 78 ARG N 1.865 0.045 62 79 LEU N 1.772 0.076 63 80 ARG N 1.721 0.056 64 81 GLY N 1.486 0.075 65 82 GLY N 1.486 0.054 stop_ save_ save_heteronuclear_T1_list_7 _Saveframe_category T1_relaxation _Details ; Ubiquitin percent bound = 53.8 % SH3 pecent bound = 36.0 % ; loop_ _Sample_label $sample_mixture_p2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Ubiquitin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 8 GLN N 1.815 0.027 2 10 PHE N 2.010 0.029 3 11 VAL N 1.888 0.043 4 12 LYS N 1.945 0.039 5 13 THR N 1.935 0.025 6 14 LEU N 1.940 0.038 7 15 THR N 1.743 0.109 8 16 GLY N 1.901 0.036 9 17 LYS N 1.756 0.026 10 18 THR N 1.935 0.045 11 19 ILE N 1.864 0.030 12 20 THR N 1.855 0.024 13 21 LEU N 1.919 0.030 14 22 GLU N 1.749 0.018 15 23 VAL N 1.890 0.023 16 24 GLU N 1.779 0.023 17 26 SER N 1.734 0.021 18 28 THR N 1.948 0.028 19 31 ASN N 1.991 0.039 20 32 VAL N 1.974 0.034 21 33 LYS N 2.049 0.034 22 34 ALA N 1.986 0.017 23 35 LYS N 1.996 0.027 24 36 ILE N 1.985 0.028 25 37 GLN N 1.999 0.026 26 38 ASP N 1.936 0.018 27 39 LYS N 1.830 0.029 28 40 GLU N 1.853 0.029 29 41 GLY N 1.822 0.034 30 42 ILE N 1.509 0.020 31 45 ASP N 1.934 0.018 32 46 GLN N 1.864 0.025 33 47 GLN N 1.868 0.025 34 48 ARG N 1.869 0.047 35 49 LEU N 1.892 0.029 36 50 ILE N 1.934 0.036 37 51 PHE N 1.864 0.034 38 52 ALA N 1.957 0.085 39 53 GLY N 1.847 0.034 40 54 LYS N 1.822 0.037 41 55 GLN N 1.821 0.021 42 57 GLU N 1.796 0.029 43 58 ASP N 1.667 0.018 44 59 GLY N 1.974 0.030 45 60 ARG N 1.720 0.045 46 61 THR N 1.911 0.030 47 62 LEU N 2.013 0.032 48 63 SER N 1.922 0.029 49 65 TYR N 1.891 0.026 50 66 ASN N 1.913 0.031 51 67 ILE N 1.925 0.029 52 68 GLN N 1.637 0.026 53 69 LYS N 1.779 0.022 54 70 GLU N 2.015 0.047 55 71 SER N 1.860 0.021 56 72 THR N 1.846 0.028 57 74 HIS N 1.920 0.040 58 75 LEU N 1.926 0.029 59 76 VAL N 1.929 0.043 60 77 LEU N 1.847 0.022 61 78 ARG N 1.916 0.039 62 79 LEU N 1.753 0.068 63 80 ARG N 1.703 0.055 64 81 GLY N 1.600 0.074 65 82 GLY N 1.420 0.054 stop_ save_ save_heteronuclear_T1_list_8 _Saveframe_category T1_relaxation _Details ; Ubiquitin percent bound = 28.4 % SH3 pecent bound = 59.3 % ; loop_ _Sample_label $sample_mixture_p3 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Ubiquitin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 8 GLN N 1.916 0.007 2 10 PHE N 2.085 0.011 3 11 VAL N 1.947 0.009 4 12 LYS N 2.057 0.014 5 13 THR N 2.025 0.008 6 14 LEU N 2.077 0.042 7 15 THR N 1.810 0.078 8 16 GLY N 1.987 0.022 9 17 LYS N 1.809 0.019 10 18 THR N 1.969 0.028 11 19 ILE N 1.991 0.011 12 20 THR N 1.949 0.009 13 21 LEU N 2.053 0.011 14 22 GLU N 1.847 0.009 15 23 VAL N 2.024 0.009 16 24 GLU N 1.842 0.007 17 26 SER N 1.898 0.008 18 28 THR N 2.028 0.010 19 31 ASN N 2.095 0.008 20 32 VAL N 2.107 0.006 21 33 LYS N 2.175 0.012 22 34 ALA N 2.104 0.006 23 35 LYS N 2.069 0.011 24 36 ILE N 2.092 0.008 25 37 GLN N 2.152 0.008 26 38 ASP N 2.099 0.006 27 39 LYS N 1.978 0.014 28 40 GLU N 1.995 0.009 29 41 GLY N 1.934 0.014 30 42 ILE N 1.557 0.008 31 45 ASP N 2.077 0.006 32 46 GLN N 1.993 0.010 33 47 GLN N 1.972 0.010 34 48 ARG N 2.031 0.015 35 49 LEU N 2.006 0.009 36 50 ILE N 2.071 0.009 37 51 PHE N 2.059 0.010 38 52 ALA N 2.094 0.065 39 53 GLY N 2.030 0.011 40 54 LYS N 1.882 0.008 41 55 GLN N 1.918 0.008 42 57 GLU N 1.886 0.008 43 58 ASP N 1.753 0.005 44 59 GLY N 2.037 0.009 45 60 ARG N 1.824 0.011 46 61 THR N 2.013 0.010 47 62 LEU N 2.140 0.008 48 63 SER N 2.015 0.011 49 65 TYR N 1.974 0.010 50 66 ASN N 2.069 0.009 51 67 ILE N 2.038 0.011 52 68 GLN N 1.741 0.007 53 69 LYS N 1.963 0.008 54 70 GLU N 2.116 0.011 55 71 SER N 2.005 0.007 56 72 THR N 1.956 0.009 57 74 HIS N 2.016 0.011 58 75 LEU N 2.041 0.010 59 76 VAL N 2.052 0.011 60 77 LEU N 1.988 0.007 61 78 ARG N 1.989 0.011 62 79 LEU N 1.835 0.023 63 80 ARG N 1.622 0.051 64 81 GLY N 1.456 0.048 65 82 GLY N 1.359 0.048 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_SH3_free stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'CD2AP SH3 Domain' _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 5 ALA N 2.579 0.055 . . 2 6 LYS N 3.307 0.072 . . 3 7 GLU N 4.263 0.074 . . 4 8 TYR N 4.818 0.053 . . 5 9 CYS N 5.017 0.069 . . 6 10 ARG N 4.957 0.060 . . 7 11 THR N 5.086 0.051 . . 8 13 PHE N 5.104 0.055 . . 9 15 TYR N 5.037 0.050 . . 10 16 GLU N 4.865 0.059 . . 11 17 GLY N 4.973 0.087 . . 12 18 THR N 5.687 0.052 . . 13 19 ASN N 4.627 0.035 . . 14 20 ASN N 4.898 0.080 . . 15 21 ASP N 5.025 0.057 . . 16 23 LEU N 4.750 0.078 . . 17 24 THR N 4.115 0.051 . . 18 25 PHE N 5.367 0.065 . . 19 26 LYS N 4.971 0.082 . . 20 27 GLU N 5.103 0.042 . . 21 28 GLY N 4.856 0.070 . . 22 29 GLU N 5.052 0.054 . . 23 31 ILE N 4.835 0.180 . . 24 33 LEU N 5.552 0.126 . . 25 34 ILE N 5.102 0.213 . . 26 35 SER N 5.434 0.175 . . 27 37 GLU N 4.657 0.079 . . 28 38 THR N 4.221 0.067 . . 29 39 GLY N 4.301 0.182 . . 30 40 GLU N 4.644 0.045 . . 31 41 ALA N 4.685 0.062 . . 32 43 TRP N 4.973 0.054 . . 33 45 ARG N 5.308 0.064 . . 34 46 GLY N 5.360 0.063 . . 35 47 GLU N 5.138 0.057 . . 36 48 LEU N 4.910 0.118 . . 37 49 ASN N 5.441 0.283 . . 38 50 GLY N 5.046 0.079 . . 39 51 LYS N 4.713 0.059 . . 40 53 GLY N 4.870 0.103 . . 41 54 VAL N 5.200 0.258 . . 42 55 PHE N 4.696 0.099 . . 43 57 ASP N 5.331 0.048 . . 44 58 ASN N 4.628 0.041 . . 45 59 PHE N 5.041 0.068 . . 46 60 ALA N 4.981 0.072 . . 47 61 VAL N 4.776 0.086 . . 48 63 ILE N 4.753 0.078 . . 49 64 ASN N 3.831 0.038 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details ; Ubiquitin percent bound = 69.5 % SH3 pecent bound = 21.7 % ; loop_ _Sample_label $sample_mixture_p1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'CD2AP SH3 Domain' _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 5 ALA N 2.815 0.052 . . 2 6 LYS N 3.476 0.032 . . 3 7 GLU N 4.855 0.021 . . 4 8 TYR N 5.493 0.031 . . 5 9 CYS N 5.640 0.026 . . 6 10 ARG N 5.643 0.025 . . 7 11 THR N 6.029 0.035 . . 8 13 PHE N 5.909 0.040 . . 9 15 TYR N 6.433 0.031 . . 10 16 GLU N 5.656 0.017 . . 11 17 GLY N 5.708 0.025 . . 12 18 THR N 6.432 0.027 . . 13 19 ASN N 5.260 0.020 . . 14 20 ASN N 7.170 0.086 . . 15 21 ASP N 6.273 0.021 . . 16 23 LEU N 5.621 0.024 . . 17 24 THR N 5.059 0.015 . . 18 25 PHE N 6.296 0.019 . . 19 26 LYS N 5.819 0.021 . . 20 27 GLU N 5.747 0.015 . . 21 28 GLY N 5.581 0.020 . . 22 29 GLU N 5.877 0.021 . . 23 31 ILE N 5.516 0.064 . . 24 33 LEU N 6.373 0.057 . . 25 34 ILE N 6.038 0.034 . . 26 35 SER N 6.056 0.081 . . 27 37 GLU N 5.713 0.034 . . 28 38 THR N 5.329 0.036 . . 29 39 GLY N 5.339 0.062 . . 30 40 GLU N 5.360 0.017 . . 31 41 ALA N 5.460 0.041 . . 32 43 TRP N 5.806 0.023 . . 33 45 ARG N 5.974 0.021 . . 34 46 GLY N 6.264 0.033 . . 35 47 GLU N 5.711 0.017 . . 36 48 LEU N 5.843 0.020 . . 37 49 ASN N 6.032 0.085 . . 38 50 GLY N 5.555 0.036 . . 39 51 LYS N 5.448 0.015 . . 40 53 GLY N 6.039 0.032 . . 41 54 VAL N 5.874 0.047 . . 42 55 PHE N 5.486 0.026 . . 43 57 ASP N 7.109 0.037 . . 44 58 ASN N 5.435 0.015 . . 45 59 PHE N 5.879 0.019 . . 46 60 ALA N 5.809 0.013 . . 47 61 VAL N 5.546 0.016 . . 48 63 ILE N 5.470 0.020 . . 49 64 ASN N 4.346 0.012 . . stop_ save_ save_heteronuclear_T2_list_3 _Saveframe_category T2_relaxation _Details ; Ubiquitin percent bound = 53.8 % SH3 pecent bound = 36.0 % ; loop_ _Sample_label $sample_mixture_p2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'CD2AP SH3 Domain' _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 5 ALA N 2.874 0.068 . . 2 6 LYS N 3.691 0.051 . . 3 7 GLU N 5.382 0.055 . . 4 8 TYR N 5.945 0.048 . . 5 9 CYS N 6.415 0.078 . . 6 10 ARG N 6.208 0.056 . . 7 11 THR N 6.657 0.045 . . 8 13 PHE N 6.503 0.041 . . 9 15 TYR N 7.684 0.060 . . 10 16 GLU N 6.410 0.051 . . 11 17 GLY N 6.312 0.055 . . 12 18 THR N 7.240 0.063 . . 13 19 ASN N 5.833 0.048 . . 14 20 ASN N 8.930 0.170 . . 15 21 ASP N 7.339 0.056 . . 16 23 LEU N 6.286 0.053 . . 17 24 THR N 5.827 0.074 . . 18 25 PHE N 7.074 0.048 . . 19 26 LYS N 6.540 0.066 . . 20 27 GLU N 6.403 0.038 . . 21 28 GLY N 6.304 0.063 . . 22 29 GLU N 6.696 0.053 . . 23 31 ILE N 6.119 0.061 . . 24 33 LEU N 7.045 0.118 . . 25 34 ILE N 6.663 0.100 . . 26 35 SER N 6.698 0.083 . . 27 37 GLU N 6.581 0.052 . . 28 38 THR N 6.191 0.082 . . 29 39 GLY N 6.090 0.113 . . 30 40 GLU N 6.203 0.045 . . 31 41 ALA N 6.099 0.063 . . 32 43 TRP N 6.520 0.063 . . 33 45 ARG N 6.680 0.065 . . 34 46 GLY N 7.004 0.067 . . 35 47 GLU N 6.447 0.052 . . 36 48 LEU N 6.508 0.059 . . 37 49 ASN N 6.572 0.157 . . 38 50 GLY N 6.007 0.076 . . 39 51 LYS N 6.133 0.044 . . 40 53 GLY N 6.740 0.067 . . 41 54 VAL N 6.660 0.088 . . 42 55 PHE N 6.232 0.100 . . 43 57 ASP N 8.434 0.069 . . 44 58 ASN N 6.157 0.047 . . 45 59 PHE N 6.785 0.073 . . 46 60 ALA N 6.519 0.048 . . 47 61 VAL N 6.144 0.052 . . 48 63 ILE N 6.155 0.063 . . 49 64 ASN N 4.666 0.030 . . stop_ save_ save_heteronuclear_T2_list_4 _Saveframe_category T2_relaxation _Details ; Ubiquitin percent bound = 28.4 % SH3 pecent bound = 59.3 % ; loop_ _Sample_label $sample_mixture_p3 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'CD2AP SH3 Domain' _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 5 ALA N 3.130 0.108 . . 2 6 LYS N 4.188 0.063 . . 3 7 GLU N 6.299 0.060 . . 4 8 TYR N 7.138 0.086 . . 5 9 CYS N 7.183 0.092 . . 6 10 ARG N 7.319 0.089 . . 7 11 THR N 7.830 0.076 . . 8 13 PHE N 7.598 0.085 . . 9 15 TYR N 8.711 0.091 . . 10 16 GLU N 7.345 0.082 . . 11 17 GLY N 7.392 0.093 . . 12 18 THR N 8.277 0.110 . . 13 19 ASN N 6.416 0.107 . . 14 20 ASN N 9.780 0.322 . . 15 21 ASP N 8.479 0.094 . . 16 23 LEU N 7.241 0.127 . . 17 24 THR N 6.712 0.083 . . 18 25 PHE N 8.457 0.083 . . 19 26 LYS N 7.686 0.097 . . 20 27 GLU N 7.522 0.066 . . 21 28 GLY N 7.169 0.096 . . 22 29 GLU N 7.823 0.073 . . 23 31 ILE N 6.957 0.113 . . 24 33 LEU N 8.040 0.131 . . 25 34 ILE N 7.706 0.213 . . 26 35 SER N 7.738 0.095 . . 27 37 GLU N 7.314 0.081 . . 28 38 THR N 6.927 0.136 . . 29 39 GLY N 7.254 0.182 . . 30 40 GLU N 7.458 0.076 . . 31 41 ALA N 7.284 0.075 . . 32 43 TRP N 7.487 0.093 . . 33 45 ARG N 7.600 0.090 . . 34 46 GLY N 8.021 0.091 . . 35 47 GLU N 7.398 0.081 . . 36 48 LEU N 7.514 0.112 . . 37 49 ASN N 7.405 0.216 . . 38 50 GLY N 6.942 0.093 . . 39 51 LYS N 7.030 0.080 . . 40 53 GLY N 7.821 0.080 . . 41 54 VAL N 7.476 0.129 . . 42 55 PHE N 6.869 0.141 . . 43 57 ASP N 9.528 0.118 . . 44 58 ASN N 7.118 0.057 . . 45 59 PHE N 7.830 0.080 . . 46 60 ALA N 7.407 0.060 . . 47 61 VAL N 7.163 0.070 . . 48 63 ILE N 7.178 0.091 . . 49 64 ASN N 5.269 0.038 . . stop_ save_ save_heteronuclear_T2_list_5 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_Ubiquitin_free stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Ubiquitin _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 8 GLN N 5.965 0.052 . . 2 10 PHE N 5.949 0.052 . . 3 11 VAL N 5.697 0.061 . . 4 12 LYS N 5.748 0.098 . . 5 13 THR N 5.861 0.069 . . 6 14 LEU N 5.568 0.088 . . 7 15 THR N 5.509 0.264 . . 8 16 GLY N 5.382 0.109 . . 9 17 LYS N 5.127 0.059 . . 10 18 THR N 5.401 0.110 . . 11 19 ILE N 5.682 0.071 . . 12 20 THR N 5.721 0.049 . . 13 21 LEU N 5.675 0.079 . . 14 22 GLU N 5.555 0.048 . . 15 23 VAL N 6.007 0.053 . . 16 24 GLU N 6.393 0.055 . . 17 26 SER N 5.786 0.105 . . 18 28 THR N 5.947 0.068 . . 19 31 ASN N 7.563 0.067 . . 20 32 VAL N 5.799 0.047 . . 21 33 LYS N 6.391 0.063 . . 22 34 ALA N 6.309 0.061 . . 23 35 LYS N 6.087 0.050 . . 24 36 ILE N 5.913 0.044 . . 25 37 GLN N 6.077 0.055 . . 26 38 ASP N 6.271 0.041 . . 27 39 LYS N 5.659 0.075 . . 28 40 GLU N 5.670 0.058 . . 29 41 GLY N 6.819 0.102 . . 30 42 ILE N 5.946 0.050 . . 31 45 ASP N 5.697 0.043 . . 32 46 GLN N 5.898 0.062 . . 33 47 GLN N 5.829 0.072 . . 34 48 ARG N 5.462 0.082 . . 35 49 LEU N 5.721 0.056 . . 36 50 ILE N 5.614 0.077 . . 37 51 PHE N 6.019 0.117 . . 38 52 ALA N 6.126 0.213 . . 39 53 GLY N 5.457 0.153 . . 40 54 LYS N 6.280 0.071 . . 41 55 GLN N 5.274 0.037 . . 42 57 GLU N 5.909 0.061 . . 43 58 ASP N 6.207 0.046 . . 44 59 GLY N 5.889 0.058 . . 45 60 ARG N 5.953 0.083 . . 46 61 THR N 6.374 0.126 . . 47 62 LEU N 5.905 0.047 . . 48 63 SER N 5.874 0.049 . . 49 65 TYR N 5.775 0.062 . . 50 66 ASN N 5.826 0.073 . . 51 67 ILE N 5.871 0.056 . . 52 68 GLN N 4.894 0.043 . . 53 69 LYS N 5.972 0.054 . . 54 70 GLU N 5.742 0.054 . . 55 71 SER N 5.834 0.052 . . 56 72 THR N 5.620 0.066 . . 57 74 HIS N 5.867 0.058 . . 58 75 LEU N 5.765 0.074 . . 59 76 VAL N 6.033 0.065 . . 60 77 LEU N 5.517 0.047 . . 61 78 ARG N 5.213 0.063 . . 62 79 LEU N 4.188 0.060 . . 63 80 ARG N 4.034 0.124 . . 64 81 GLY N 3.209 0.216 . . 65 82 GLY N 3.047 0.139 . . stop_ save_ save_heteronuclear_T2_list_6 _Saveframe_category T2_relaxation _Details ; Ubiquitin percent bound = 69.5 % SH3 pecent bound = 21.7 % ; loop_ _Sample_label $sample_mixture_p1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Ubiquitin _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 8 GLN N 7.792 0.109 . . 2 10 PHE N 8.142 0.114 . . 3 11 VAL N 7.174 0.095 . . 4 12 LYS N 7.687 0.174 . . 5 13 THR N 7.624 0.115 . . 6 14 LEU N 7.654 0.238 . . 7 15 THR N 11.340 2.173 . . 8 16 GLY N 6.922 0.236 . . 9 17 LYS N 6.886 0.135 . . 10 18 THR N 7.192 0.163 . . 11 19 ILE N 7.431 0.189 . . 12 20 THR N 7.989 0.123 . . 13 21 LEU N 7.307 0.114 . . 14 22 GLU N 7.067 0.076 . . 15 23 VAL N 7.632 0.105 . . 16 24 GLU N 7.775 0.094 . . 17 26 SER N 7.342 0.108 . . 18 28 THR N 7.852 0.170 . . 19 31 ASN N 9.537 0.197 . . 20 32 VAL N 7.280 0.076 . . 21 33 LYS N 8.046 0.134 . . 22 34 ALA N 7.821 0.076 . . 23 35 LYS N 8.062 0.137 . . 24 36 ILE N 8.030 0.112 . . 25 37 GLN N 7.894 0.091 . . 26 38 ASP N 7.823 0.096 . . 27 39 LYS N 7.156 0.091 . . 28 40 GLU N 7.309 0.096 . . 29 41 GLY N 8.623 0.278 . . 30 42 ILE N 7.573 0.085 . . 31 45 ASP N 7.448 0.098 . . 32 46 GLN N 8.302 0.128 . . 33 47 GLN N 8.701 0.155 . . 34 48 ARG N 8.101 0.269 . . 35 49 LEU N 7.557 0.156 . . 36 50 ILE N 7.770 0.140 . . 37 51 PHE N 8.911 0.166 . . 38 52 ALA N 9.029 0.565 . . 39 53 GLY N 8.687 0.293 . . 40 54 LYS N 8.323 0.185 . . 41 55 GLN N 7.160 0.090 . . 42 57 GLU N 7.642 0.134 . . 43 58 ASP N 7.886 0.077 . . 44 59 GLY N 7.831 0.125 . . 45 60 ARG N 7.957 0.197 . . 46 61 THR N 7.751 0.161 . . 47 62 LEU N 7.880 0.155 . . 48 63 SER N 7.947 0.198 . . 49 65 TYR N 7.343 0.107 . . 50 66 ASN N 7.871 0.112 . . 51 67 ILE N 7.773 0.109 . . 52 68 GLN N 6.469 0.101 . . 53 69 LYS N 7.917 0.117 . . 54 70 GLU N 7.829 0.141 . . 55 71 SER N 7.803 0.098 . . 56 72 THR N 7.931 0.153 . . 57 74 HIS N 7.740 0.193 . . 58 75 LEU N 7.539 0.112 . . 59 76 VAL N 8.423 0.178 . . 60 77 LEU N 7.915 0.156 . . 61 78 ARG N 8.038 0.177 . . 62 79 LEU N 9.537 0.535 . . 63 80 ARG N 5.437 0.205 . . 64 81 GLY N 4.758 0.417 . . 65 82 GLY N 3.811 0.213 . . stop_ save_ save_heteronuclear_T2_list_7 _Saveframe_category T2_relaxation _Details ; Ubiquitin percent bound = 53.8 % SH3 pecent bound = 36.0 % ; loop_ _Sample_label $sample_mixture_p2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Ubiquitin _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 8 GLN N 7.510 0.073 . . 2 10 PHE N 7.602 0.122 . . 3 11 VAL N 7.097 0.075 . . 4 12 LYS N 7.238 0.124 . . 5 13 THR N 7.674 0.121 . . 6 14 LEU N 7.420 0.225 . . 7 15 THR N 10.182 0.886 . . 8 16 GLY N 6.469 0.121 . . 9 17 LYS N 6.585 0.106 . . 10 18 THR N 6.882 0.193 . . 11 19 ILE N 7.387 0.130 . . 12 20 THR N 7.426 0.083 . . 13 21 LEU N 7.173 0.089 . . 14 22 GLU N 6.822 0.060 . . 15 23 VAL N 7.415 0.082 . . 16 24 GLU N 7.843 0.086 . . 17 26 SER N 7.356 0.106 . . 18 28 THR N 7.578 0.112 . . 19 31 ASN N 9.159 0.111 . . 20 32 VAL N 7.222 0.067 . . 21 33 LYS N 7.713 0.099 . . 22 34 ALA N 7.746 0.064 . . 23 35 LYS N 7.493 0.098 . . 24 36 ILE N 7.586 0.081 . . 25 37 GLN N 7.635 0.089 . . 26 38 ASP N 7.655 0.058 . . 27 39 LYS N 6.926 0.078 . . 28 40 GLU N 7.028 0.105 . . 29 41 GLY N 8.411 0.133 . . 30 42 ILE N 7.126 0.081 . . 31 45 ASP N 7.243 0.074 . . 32 46 GLN N 7.777 0.114 . . 33 47 GLN N 7.947 0.113 . . 34 48 ARG N 7.358 0.165 . . 35 49 LEU N 7.116 0.102 . . 36 50 ILE N 7.247 0.100 . . 37 51 PHE N 8.264 0.116 . . 38 52 ALA N 7.268 0.307 . . 39 53 GLY N 7.332 0.201 . . 40 54 LYS N 8.069 0.132 . . 41 55 GLN N 6.920 0.056 . . 42 57 GLU N 7.084 0.100 . . 43 58 ASP N 7.613 0.068 . . 44 59 GLY N 7.543 0.101 . . 45 60 ARG N 7.747 0.122 . . 46 61 THR N 7.273 0.150 . . 47 62 LEU N 7.724 0.105 . . 48 63 SER N 7.466 0.077 . . 49 65 TYR N 7.267 0.083 . . 50 66 ASN N 7.341 0.088 . . 51 67 ILE N 7.361 0.074 . . 52 68 GLN N 6.440 0.071 . . 53 69 LYS N 7.522 0.094 . . 54 70 GLU N 7.357 0.098 . . 55 71 SER N 7.587 0.093 . . 56 72 THR N 7.136 0.107 . . 57 74 HIS N 7.589 0.124 . . 58 75 LEU N 7.032 0.093 . . 59 76 VAL N 7.847 0.110 . . 60 77 LEU N 7.190 0.076 . . 61 78 ARG N 7.442 0.132 . . 62 79 LEU N 8.479 0.272 . . 63 80 ARG N 5.019 0.161 . . 64 81 GLY N 4.178 0.252 . . 65 82 GLY N 3.389 0.151 . . stop_ save_ save_heteronuclear_T2_list_8 _Saveframe_category T2_relaxation _Details ; Ubiquitin percent bound = 28.4 % SH3 pecent bound = 59.3 % ; loop_ _Sample_label $sample_mixture_p3 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Ubiquitin _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 8 GLN N 6.810 0.023 . . 2 10 PHE N 6.905 0.025 . . 3 11 VAL N 6.546 0.024 . . 4 12 LYS N 6.544 0.034 . . 5 13 THR N 6.746 0.036 . . 6 14 LEU N 6.480 0.077 . . 7 15 THR N 7.934 0.255 . . 8 16 GLY N 6.073 0.049 . . 9 17 LYS N 6.013 0.029 . . 10 18 THR N 6.440 0.070 . . 11 19 ILE N 6.618 0.031 . . 12 20 THR N 6.807 0.024 . . 13 21 LEU N 6.474 0.037 . . 14 22 GLU N 6.179 0.017 . . 15 23 VAL N 6.854 0.022 . . 16 24 GLU N 7.123 0.026 . . 17 26 SER N 6.835 0.090 . . 18 28 THR N 6.800 0.060 . . 19 31 ASN N 8.681 0.049 . . 20 32 VAL N 6.758 0.023 . . 21 33 LYS N 7.172 0.029 . . 22 34 ALA N 7.113 0.040 . . 23 35 LYS N 6.967 0.030 . . 24 36 ILE N 6.777 0.021 . . 25 37 GLN N 6.940 0.033 . . 26 38 ASP N 6.947 0.029 . . 27 39 LYS N 6.364 0.040 . . 28 40 GLU N 6.396 0.023 . . 29 41 GLY N 7.733 0.086 . . 30 42 ILE N 6.703 0.026 . . 31 45 ASP N 6.590 0.025 . . 32 46 GLN N 6.895 0.023 . . 33 47 GLN N 7.075 0.034 . . 34 48 ARG N 6.651 0.042 . . 35 49 LEU N 6.544 0.030 . . 36 50 ILE N 6.518 0.026 . . 37 51 PHE N 7.374 0.027 . . 38 52 ALA N 7.057 0.164 . . 39 53 GLY N 6.582 0.055 . . 40 54 LYS N 7.305 0.027 . . 41 55 GLN N 6.320 0.025 . . 42 57 GLU N 6.639 0.026 . . 43 58 ASP N 6.866 0.017 . . 44 59 GLY N 6.760 0.032 . . 45 60 ARG N 6.985 0.060 . . 46 61 THR N 7.033 0.071 . . 47 62 LEU N 6.932 0.038 . . 48 63 SER N 6.653 0.025 . . 49 65 TYR N 6.542 0.028 . . 50 66 ASN N 6.715 0.025 . . 51 67 ILE N 6.706 0.020 . . 52 68 GLN N 5.800 0.020 . . 53 69 LYS N 6.892 0.026 . . 54 70 GLU N 6.634 0.027 . . 55 71 SER N 6.801 0.022 . . 56 72 THR N 6.602 0.027 . . 57 74 HIS N 6.814 0.038 . . 58 75 LEU N 6.535 0.032 . . 59 76 VAL N 7.215 0.032 . . 60 77 LEU N 6.403 0.024 . . 61 78 ARG N 6.335 0.035 . . 62 79 LEU N 7.190 0.074 . . 63 80 ARG N 4.570 0.079 . . 64 81 GLY N 3.572 0.153 . . 65 82 GLY N 3.463 0.080 . . stop_ save_