data_19948 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The proline-rich region of 18.5-kDa myelin basic protein requires long-range interactions with residues upstream to interact with the SH3-domain of Fyn ; _BMRB_accession_number 19948 _BMRB_flat_file_name bmr19948.str _Entry_type original _Submission_date 2014-04-29 _Accession_date 2014-04-29 _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 'De Avila' Miguel . . 2 Vassall Kenrick . . 3 Smith Graham . . 4 Bamm Vladimir . . 5 Harauz George . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 63 "13C chemical shifts" 164 "15N chemical shifts" 62 "T1 relaxation values" 57 "T2 relaxation values" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-11 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 15131 '18.5 kDa isoform of murine myelin basic protein' 18520 'S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP) in association with dodecylphosphocholine micelles' 19186 'S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP)' 19949 'MBP S38-S107 peptide in the presence of Fyn-SH3' 6100 '18.5kDa isoform of murine myelin basic protein (MBP)' 6857 'FF2 immunodominant peptide' stop_ _Original_release_date 2014-04-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The proline-rich region of 18.5 kDa myelin basic protein binds to the SH3-domain of Fyn tyrosine kinase with the aid of an upstream segment to form a dynamic complex in vitro ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25343306 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Avila' Miguel . . 2 Vassall Kenrick A. . 3 Smith Graham . . 4 Bamm Vladimir V. . 5 Harauz George . . stop_ _Journal_abbreviation 'Biosci. Rep.' _Journal_name_full 'Bioscience reports' _Journal_volume 34 _Journal_issue 6 _Journal_ISSN 1573-4935 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e00157 _Page_last e00157 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'S38-S107 peptide of 18.5 kDa MBP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MBP S38-S107 peptide' $MBP_S38-S107_peptide 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_MBP_S38-S107_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MBP_S38-S107_peptide _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; SIGRFFSGDRGAPKRGSGKD SHTRTTHYGSLPQKSQHGRT QDENPVVHFFKNIVTPRTPP PSQGKGRGLS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ILE 3 GLY 4 ARG 5 PHE 6 PHE 7 SER 8 GLY 9 ASP 10 ARG 11 GLY 12 ALA 13 PRO 14 LYS 15 ARG 16 GLY 17 SER 18 GLY 19 LYS 20 ASP 21 SER 22 HIS 23 THR 24 ARG 25 THR 26 THR 27 HIS 28 TYR 29 GLY 30 SER 31 LEU 32 PRO 33 GLN 34 LYS 35 SER 36 GLN 37 HIS 38 GLY 39 ARG 40 THR 41 GLN 42 ASP 43 GLU 44 ASN 45 PRO 46 VAL 47 VAL 48 HIS 49 PHE 50 PHE 51 LYS 52 ASN 53 ILE 54 VAL 55 THR 56 PRO 57 ARG 58 THR 59 PRO 60 PRO 61 PRO 62 SER 63 GLN 64 GLY 65 LYS 66 GLY 67 ARG 68 GLY 69 LEU 70 SER 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 $MBP_S38-S107_peptide Mouse 10090 Eukaryota Metazoa Mus musculus 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 $MBP_S38-S107_peptide 'recombinant technology' . Escherichia coli . 'pET-SUMO vector' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MBP_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MBP_S38-S107_peptide 0.75 mM '[U-100% 13C; U-100% 15N]' D2O 10 % '[U-100% 2H]' HEPES-NaOH 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' H2O 90 % '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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $MBP_sample save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $MBP_sample save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $MBP_sample save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $MBP_sample save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $MBP_sample save_ save_3D_HACAN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACAN' _Sample_label $MBP_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.4 . pH pressure 1 . atm temperature 295 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_EPPH-Assignments _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D HACAN' stop_ loop_ _Sample_label $MBP_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MBP S38-S107 peptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 GLY H H 8.48 0.02 1 2 3 3 GLY C C 174.8 0.3 1 3 3 3 GLY CA C 45.2 0.3 1 4 3 3 GLY N N 112.7 0.3 1 5 4 4 ARG H H 8.12 0.02 1 6 4 4 ARG C C 176.9 0.3 1 7 4 4 ARG CA C 56.1 0.3 1 8 4 4 ARG CB C 30.8 0.3 1 9 4 4 ARG N N 120.7 0.3 1 10 5 5 PHE H H 8.26 0.02 1 11 5 5 PHE C C 176.3 0.3 1 12 5 5 PHE CA C 57.6 0.3 1 13 5 5 PHE CB C 39.7 0.3 1 14 5 5 PHE N N 120.8 0.3 1 15 6 6 PHE H H 8.26 0.02 1 16 6 6 PHE C C 176.4 0.3 1 17 6 6 PHE CA C 57.7 0.3 1 18 6 6 PHE CB C 39.8 0.3 1 19 6 6 PHE N N 122.3 0.3 1 20 7 7 SER H H 8.30 0.02 1 21 7 7 SER C C 176.4 0.3 1 22 7 7 SER CA C 58.2 0.3 1 23 7 7 SER CB C 63.9 0.3 1 24 7 7 SER N N 118.2 0.3 1 25 8 8 GLY H H 7.84 0.02 1 26 8 8 GLY C C 174.8 0.3 1 27 8 8 GLY CA C 45.4 0.3 1 28 8 8 GLY N N 110.2 0.3 1 29 9 9 ASP H H 8.24 0.02 1 30 9 9 ASP C C 177.7 0.3 1 31 9 9 ASP CA C 54.4 0.3 1 32 9 9 ASP CB C 41.3 0.3 1 33 9 9 ASP N N 120.5 0.3 1 34 10 10 ARG H H 8.41 0.02 1 35 10 10 ARG C C 177.8 0.3 1 36 10 10 ARG CA C 56.3 0.3 1 37 10 10 ARG CB C 30.3 0.3 1 38 10 10 ARG N N 121.6 0.3 1 39 11 11 GLY H H 8.43 0.02 1 40 11 11 GLY C C 174.5 0.3 1 41 11 11 GLY CA C 45.2 0.3 1 42 11 11 GLY N N 109.4 0.3 1 43 12 12 ALA H H 8.04 0.02 1 44 12 12 ALA C C 176.5 0.3 1 45 12 12 ALA CA C 50.5 0.3 1 46 12 12 ALA CB C 18.2 0.3 1 47 12 12 ALA N N 124.6 0.3 1 48 13 13 PRO HA H 4.43 0.02 1 49 13 13 PRO CA C 63.1 0.3 1 50 13 13 PRO N N 135.7 0.3 1 51 14 14 LYS H H 8.48 0.02 1 52 14 14 LYS C C 174.2 0.3 1 53 14 14 LYS CA C 56.1 0.3 1 54 14 14 LYS CB C 29.8 0.3 1 55 14 14 LYS N N 120.6 0.3 1 56 15 15 ARG H H 8.47 0.02 1 57 15 15 ARG C C 177.8 0.3 1 58 15 15 ARG CA C 56.2 0.3 1 59 15 15 ARG CB C 30.8 0.3 1 60 15 15 ARG N N 122.8 0.3 1 61 16 16 GLY H H 8.56 0.02 1 62 16 16 GLY C C 175.2 0.3 1 63 16 16 GLY CA C 45.3 0.3 1 64 16 16 GLY N N 110.6 0.3 1 65 17 17 SER H H 8.36 0.02 1 66 17 17 SER C C 175.9 0.3 1 67 17 17 SER CA C 58.5 0.3 1 68 17 17 SER CB C 64.0 0.3 1 69 17 17 SER N N 115.5 0.3 1 70 18 18 GLY H H 8.59 0.02 1 71 18 18 GLY C C 175.5 0.3 1 72 18 18 GLY CA C 45.4 0.3 1 73 18 18 GLY N N 110.9 0.3 1 74 19 19 LYS H H 8.27 0.02 1 75 19 19 LYS C C 177.5 0.3 1 76 19 19 LYS CA C 57.4 0.3 1 77 19 19 LYS CB C 30.6 0.3 1 78 19 19 LYS N N 120.9 0.3 1 79 20 20 ASP H H 8.40 0.02 1 80 20 20 ASP C C 177.5 0.3 1 81 20 20 ASP CA C 54.3 0.3 1 82 20 20 ASP CB C 41.2 0.3 1 83 20 20 ASP N N 120.9 0.3 1 84 21 21 SER H H 8.23 0.02 1 85 21 21 SER C C 175.9 0.3 1 86 21 21 SER CA C 58.9 0.3 1 87 21 21 SER CB C 63.7 0.3 1 88 21 21 SER N N 116.0 0.3 1 89 23 23 THR H H 8.09 0.02 1 90 23 23 THR C C 175.6 0.3 1 91 23 23 THR CA C 62.4 0.3 1 92 23 23 THR CB C 69.7 0.3 1 93 23 23 THR N N 115.1 0.3 1 94 24 24 ARG H H 8.44 0.02 1 95 24 24 ARG C C 177.5 0.3 1 96 24 24 ARG CA C 56.3 0.3 1 97 24 24 ARG CB C 30.7 0.3 1 98 24 24 ARG N N 123.7 0.3 1 99 25 25 THR H H 8.27 0.02 1 100 25 25 THR C C 175.7 0.3 1 101 25 25 THR CA C 61.9 0.3 1 102 25 25 THR CB C 69.8 0.3 1 103 25 25 THR N N 115.6 0.3 1 104 26 26 THR H H 8.13 0.02 1 105 26 26 THR C C 175.1 0.3 1 106 26 26 THR CA C 61.8 0.3 1 107 26 26 THR CB C 69.9 0.3 1 108 26 26 THR N N 116.3 0.3 1 109 28 28 TYR H H 8.20 0.02 1 110 28 28 TYR C C 177.4 0.3 1 111 28 28 TYR CA C 58.0 0.3 1 112 28 28 TYR CB C 39.3 0.3 1 113 28 28 TYR N N 121.9 0.3 1 114 29 29 GLY H H 8.33 0.02 1 115 29 29 GLY C C 175.0 0.3 1 116 29 29 GLY CA C 45.3 0.3 1 117 29 29 GLY N N 110.4 0.3 1 118 30 30 SER H H 8.16 0.02 1 119 30 30 SER C C 175.2 0.3 1 120 30 30 SER CA C 58.3 0.3 1 121 30 30 SER CB C 63.9 0.3 1 122 30 30 SER N N 115.5 0.3 1 123 31 31 LEU H H 8.30 0.02 1 124 31 31 LEU C C 176.4 0.3 1 125 31 31 LEU CA C 53.3 0.3 1 126 31 31 LEU CB C 41.7 0.3 1 127 31 31 LEU N N 124.8 0.3 1 128 34 34 LYS H H 8.44 0.02 1 129 34 34 LYS C C 177.9 0.3 1 130 34 34 LYS CA C 56.2 0.3 1 131 34 34 LYS CB C 32.9 0.3 1 132 34 34 LYS N N 121.7 0.3 1 133 35 35 SER H H 8.32 0.02 1 134 35 35 SER C C 175.7 0.3 1 135 35 35 SER CA C 58.3 0.3 1 136 35 35 SER CB C 63.9 0.3 1 137 35 35 SER N N 116.7 0.3 1 138 38 38 GLY H H 8.43 0.02 1 139 38 38 GLY C C 175.2 0.3 1 140 38 38 GLY CA C 45.2 0.3 1 141 38 38 GLY N N 110.1 0.3 1 142 39 39 ARG H H 8.33 0.02 1 143 39 39 ARG C C 177.9 0.3 1 144 39 39 ARG CA C 56.2 0.3 1 145 39 39 ARG CB C 30.8 0.3 1 146 39 39 ARG N N 120.8 0.3 1 147 40 40 THR H H 8.34 0.02 1 148 40 40 THR C C 175.8 0.3 1 149 40 40 THR CA C 62.1 0.3 1 150 40 40 THR CB C 69.8 0.3 1 151 40 40 THR N N 115.6 0.3 1 152 41 41 GLN H H 8.51 0.02 1 153 41 41 GLN C C 176.7 0.3 1 154 41 41 GLN CA C 56.1 0.3 1 155 41 41 GLN CB C 29.4 0.3 1 156 41 41 GLN N N 122.0 0.3 1 157 42 42 ASP H H 8.32 0.02 1 158 42 42 ASP C C 177.1 0.3 1 159 42 42 ASP CA C 54.5 0.3 1 160 42 42 ASP CB C 41.2 0.3 1 161 42 42 ASP N N 121.3 0.3 1 162 43 43 GLU H H 8.30 0.02 1 163 43 43 GLU C C 177.1 0.3 1 164 43 43 GLU CA C 56.4 0.3 1 165 43 43 GLU CB C 30.6 0.3 1 166 43 43 GLU N N 120.8 0.3 1 167 44 44 ASN H H 8.48 0.02 1 168 44 44 ASN HA H 4.98 0.02 1 169 44 44 ASN C C 177.3 0.3 1 170 44 44 ASN CA C 51.5 0.3 1 171 44 44 ASN CB C 38.9 0.3 1 172 44 44 ASN N N 120.6 0.3 1 173 45 45 PRO HA H 4.46 0.02 1 174 45 45 PRO CA C 63.4 0.3 1 175 45 45 PRO N N 136.3 0.3 1 176 46 46 VAL H H 8.15 0.02 1 177 46 46 VAL C C 177.2 0.3 1 178 46 46 VAL CA C 63.0 0.3 1 179 46 46 VAL CB C 32.3 0.3 1 180 46 46 VAL N N 120.1 0.3 1 181 47 47 VAL H H 7.98 0.02 1 182 47 47 VAL C C 176.8 0.3 1 183 47 47 VAL CA C 62.4 0.3 1 184 47 47 VAL CB C 32.6 0.3 1 185 47 47 VAL N N 123.1 0.3 1 186 48 48 HIS H H 8.26 0.02 1 187 48 48 HIS C C 175.6 0.3 1 188 48 48 HIS CA C 55.8 0.3 1 189 48 48 HIS CB C 30.3 0.3 1 190 48 48 HIS N N 122.4 0.3 1 191 49 49 PHE H H 8.12 0.02 1 192 49 49 PHE C C 176.2 0.3 1 193 49 49 PHE CA C 57.8 0.3 1 194 49 49 PHE CB C 39.7 0.3 1 195 49 49 PHE N N 121.4 0.3 1 196 50 50 PHE H H 8.20 0.02 1 197 50 50 PHE C C 176.4 0.3 1 198 50 50 PHE CA C 57.9 0.3 1 199 50 50 PHE CB C 39.6 0.3 1 200 50 50 PHE N N 121.5 0.3 1 201 51 51 LYS H H 8.11 0.02 1 202 51 51 LYS C C 176.7 0.3 1 203 51 51 LYS CA C 56.3 0.3 1 204 51 51 LYS CB C 33.1 0.3 1 205 51 51 LYS N N 122.4 0.3 1 206 52 52 ASN H H 8.33 0.02 1 207 52 52 ASN C C 175.8 0.3 1 208 52 52 ASN CA C 53.4 0.3 1 209 52 52 ASN CB C 38.9 0.3 1 210 52 52 ASN N N 119.5 0.3 1 211 53 53 ILE H H 8.03 0.02 1 212 53 53 ILE C C 177.1 0.3 1 213 53 53 ILE CA C 61.1 0.3 1 214 53 53 ILE CB C 38.7 0.3 1 215 53 53 ILE N N 121.2 0.3 1 216 54 54 VAL H H 8.23 0.02 1 217 54 54 VAL C C 177.0 0.3 1 218 54 54 VAL CA C 62.1 0.3 1 219 54 54 VAL CB C 32.7 0.3 1 220 54 54 VAL N N 124.8 0.3 1 221 55 55 THR H H 8.27 0.02 1 222 55 55 THR C C 173.7 0.3 1 223 55 55 THR CA C 59.8 0.3 1 224 55 55 THR CB C 69.6 0.3 1 225 55 55 THR N N 121.0 0.3 1 226 56 56 PRO HA H 4.43 0.02 1 227 56 56 PRO CA C 63.1 0.3 1 228 56 56 PRO N N 135.7 0.3 1 229 57 57 ARG H H 8.47 0.02 1 230 57 57 ARG C C 177.6 0.3 1 231 57 57 ARG CA C 56.1 0.3 1 232 57 57 ARG CB C 29.6 0.3 1 233 57 57 ARG N N 121.5 0.3 1 234 58 58 THR H H 8.20 0.02 1 235 58 58 THR C C 173.3 0.3 1 236 58 58 THR CA C 59.8 0.3 1 237 58 58 THR CB C 69.6 0.3 1 238 58 58 THR N N 117.7 0.3 1 239 59 59 PRO HA H 4.68 0.02 1 240 59 59 PRO CA C 61.6 0.3 1 241 59 59 PRO N N 139.8 0.3 1 242 60 60 PRO HA H 4.45 0.02 1 243 60 60 PRO CA C 63.2 0.3 1 244 60 60 PRO N N 136.4 0.3 1 245 61 61 PRO HA H 4.45 0.02 1 246 61 61 PRO CA C 63.0 0.3 1 247 61 61 PRO N N 138.5 0.3 1 248 62 62 SER H H 8.33 0.02 1 249 62 62 SER C C 175.8 0.3 1 250 62 62 SER CA C 58.3 0.3 1 251 62 62 SER CB C 63.9 0.3 1 252 62 62 SER N N 115.4 0.3 1 253 63 63 GLN H H 8.46 0.02 1 254 63 63 GLN C C 177.8 0.3 1 255 63 63 GLN CA C 56.1 0.3 1 256 63 63 GLN CB C 29.4 0.3 1 257 63 63 GLN N N 122.2 0.3 1 258 64 64 GLY H H 8.45 0.02 1 259 64 64 GLY C C 175.2 0.3 1 260 64 64 GLY CA C 45.3 0.3 1 261 64 64 GLY N N 109.8 0.3 1 262 65 65 LYS H H 8.30 0.02 1 263 65 65 LYS C C 178.1 0.3 1 264 65 65 LYS CA C 56.4 0.3 1 265 65 65 LYS CB C 30.5 0.3 1 266 65 65 LYS N N 120.7 0.3 1 267 66 66 GLY H H 8.53 0.02 1 268 66 66 GLY C C 175.2 0.3 1 269 66 66 GLY CA C 45.3 0.3 1 270 66 66 GLY N N 110.2 0.3 1 271 67 67 ARG H H 8.31 0.02 1 272 67 67 ARG C C 177.1 0.3 1 273 67 67 ARG CA C 56.4 0.3 1 274 67 67 ARG CB C 30.5 0.3 1 275 67 67 ARG N N 120.6 0.3 1 276 68 68 GLY H H 8.51 0.02 1 277 68 68 GLY C C 175.2 0.3 1 278 68 68 GLY CA C 45.3 0.3 1 279 68 68 GLY N N 109.9 0.3 1 280 69 69 LEU H H 8.17 0.02 1 281 69 69 LEU C C 177.8 0.3 1 282 69 69 LEU CA C 55.3 0.3 1 283 69 69 LEU CB C 42.5 0.3 1 284 69 69 LEU N N 122.0 0.3 1 285 70 70 SER H H 7.94 0.02 1 286 70 70 SER C C 179.7 0.3 1 287 70 70 SER CA C 60.0 0.3 1 288 70 70 SER CB C 64.9 0.3 1 289 70 70 SER N N 121.6 0.3 1 stop_ save_ save_heteronuclear_T1_list_EPPH _Saveframe_category T1_relaxation _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $MBP_sample stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.00000 _T1_coherence_type Iz _T1_value_units s _Mol_system_component_name 'MBP S38-S107 peptide' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLY N 0.5554 0.0662 2 4 ARG N 0.4766 0.0536 3 5 PHE N 0.4460 0.0487 4 6 PHE N 0.4545 0.0503 5 7 SER N 0.4279 0.0558 6 8 GLY N 0.4266 0.0465 7 9 ASP N 0.4379 0.0460 8 10 ARG N 0.4419 0.0442 9 11 GLY N 0.4291 0.0497 10 12 ALA N 0.4429 0.0384 11 14 LYS N 0.4445 0.0477 12 15 ARG N 0.4123 0.0478 13 16 GLY N 0.4356 0.0652 14 17 SER N 0.4626 0.0478 15 18 GLY N 0.4110 0.0984 16 19 LYS N 0.4705 0.0483 17 20 ASP N 0.4188 0.0453 18 21 SER N 0.4155 0.0509 19 22 HIS N 0.4129 0.0475 20 23 THR N 0.4000 0.0381 21 24 ARG N 0.3765 0.0434 22 25 THR N 0.3996 0.0377 23 26 THR N 0.3708 0.0513 24 28 TYR N 0.4699 0.0373 25 29 GLY N 0.4094 0.0458 26 30 SER N 0.3953 0.0464 27 31 LEU N 0.4787 0.0377 28 34 LYS N 0.4342 0.0462 29 35 SER N 0.4354 0.0462 30 38 GLY N 0.4823 0.0555 31 39 ARG N 0.4659 0.0430 32 40 THR N 0.4141 0.0472 33 41 GLN N 0.3991 0.0453 34 42 ASP N 0.4320 0.0346 35 43 GLU N 0.4337 0.0307 36 44 ASN N 0.4206 0.0410 37 46 VAL N 0.5402 0.0169 38 47 VAL N 0.5244 0.0171 39 48 HIS N 0.3965 0.0430 40 49 PHE N 0.5034 0.0322 41 50 PHE N 0.4135 0.0408 42 51 LYS N 0.4257 0.0419 43 52 ASN N 0.4167 0.0419 44 53 ILE N 0.4491 0.0352 45 54 VAL N 0.5005 0.0262 46 55 THR N 0.4603 0.0364 47 57 ARG N 0.4291 0.0461 48 58 THR N 0.4308 0.0447 49 62 SER N 0.4457 0.0497 50 63 GLN N 0.4276 0.0438 51 64 GLY N 0.4853 0.0509 52 65 LYS N 0.5005 0.0487 53 66 GLY N 0.5287 0.0651 54 67 ARG N 0.5259 0.0359 55 68 GLY N 0.5163 0.0633 56 69 LEU N 0.5719 0.0580 57 70 SER N 1.1250 0.0254 stop_ save_ save_heteronuclear_T2_list_EPPH _Saveframe_category T2_relaxation _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $MBP_sample stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.00000 _T2_coherence_type I(+,-) _T2_value_units s _Mol_system_component_name 'MBP S38-S107 peptide' _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 GLY N 0.3188 0.0163 . . 2 4 ARG N 0.3022 0.0112 . . 3 5 PHE N 0.2876 0.0093 . . 4 6 PHE N 0.2705 0.0104 . . 5 7 SER N 0.2411 0.0085 . . 6 8 GLY N 0.2709 0.0105 . . 7 9 ASP N 0.2681 0.0092 . . 8 10 ARG N 0.2634 0.0075 . . 9 11 GLY N 0.2563 0.0103 . . 10 12 ALA N 0.2844 0.0063 . . 11 14 LYS N 0.2408 0.0052 . . 12 15 ARG N 0.2389 0.0079 . . 13 16 GLY N 0.3258 0.0379 . . 14 17 SER N 0.2449 0.0080 . . 15 18 GLY N 0.2704 0.0105 . . 16 19 LYS N 0.2742 0.0078 . . 17 20 ASP N 0.2468 0.0072 . . 18 21 SER N 0.2288 0.0061 . . 19 22 HIS N 0.2484 0.0072 . . 20 23 THR N 0.2244 0.0062 . . 21 24 ARG N 0.2242 0.0078 . . 22 25 THR N 0.2161 0.0078 . . 23 26 THR N 0.2211 0.0056 . . 24 28 TYR N 0.2178 0.0051 . . 25 29 GLY N 0.2424 0.0086 . . 26 30 SER N 0.2385 0.0076 . . 27 31 LEU N 0.2755 0.0048 . . 28 34 LYS N 0.2590 0.0075 . . 29 35 SER N 0.2353 0.0074 . . 30 38 GLY N 0.2528 0.0059 . . 31 39 ARG N 0.2444 0.0075 . . 32 40 THR N 0.2388 0.0061 . . 33 41 GLN N 0.2402 0.0067 . . 34 42 ASP N 0.2555 0.0038 . . 35 43 GLU N 0.2859 0.0037 . . 36 44 ASN N 0.2429 0.0048 . . 37 46 VAL N 0.3160 0.0050 . . 38 47 VAL N 0.2712 0.0019 . . 39 48 HIS N 0.2017 0.0047 . . 40 49 PHE N 0.3877 0.0272 . . 41 50 PHE N 0.2208 0.0038 . . 42 51 LYS N 0.2353 0.0050 . . 43 52 ASN N 0.2186 0.0056 . . 44 53 ILE N 0.2569 0.0036 . . 45 54 VAL N 0.2857 0.0040 . . 46 55 THR N 0.2506 0.0038 . . 47 57 ARG N 0.2392 0.0063 . . 48 58 THR N 0.2448 0.0061 . . 49 62 SER N 0.2483 0.0079 . . 50 63 GLN N 0.2655 0.0068 . . 51 64 GLY N 0.3007 0.0118 . . 52 65 LYS N 0.2801 0.0106 . . 53 66 GLY N 0.3247 0.0164 . . 54 67 ARG N 0.2742 0.0057 . . 55 68 GLY N 0.2977 0.0141 . . 56 69 LEU N 0.3644 0.0130 . . 57 70 SER N 0.9025 0.0095 . . stop_ save_