data_19972 ####################### # 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 19972 _BMRB_flat_file_name bmr19972.str _Entry_type original _Submission_date 2014-05-13 _Accession_date 2014-05-13 _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 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 121 "13C chemical shifts" 130 "15N chemical shifts" 35 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)' 19948 'MBP S38-S107 peptide of 18.5 kDa' 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 2014-05-14 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 _Saveframe_category molecular_system _Mol_system_name 'MBP S72-S107 peptide in the presence of Fyn-SH3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MBP peptide' $MBP_S72-S107_peptide 'Fyn peptide' $Fyn_SH3_domain 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_S72-S107_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MBP_S72-S107_peptide _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; SQHGRTQDENPVVHFFKNIV TPRTPPPSQGKGRGLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 GLN 3 3 HIS 4 4 GLY 5 5 ARG 6 6 THR 7 7 GLN 8 8 ASP 9 9 GLU 10 10 ASN 11 11 PRO 12 12 VAL 13 13 VAL 14 14 HIS 15 15 PHE 16 16 PHE 17 17 LYS 18 18 ASN 19 19 ILE 20 20 VAL 21 21 THR 22 22 PRO 23 23 ARG 24 24 THR 25 25 PRO 26 26 PRO 27 27 PRO 28 28 SER 29 29 GLN 30 30 GLY 31 31 LYS 32 32 GLY 33 33 ARG 34 34 GLY 35 35 LEU 36 36 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_Fyn_SH3_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Fyn_SH3_domain _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 80 _Mol_residue_sequence ; MVQISVTLFVALYDYEARTE DDLSFHKGEKFQILNSSEGD WWEARSLTTGETGYIPSNYV APVDRLDYKDDDDKHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 VAL 3 3 GLN 4 4 ILE 5 5 SER 6 6 VAL 7 7 THR 8 8 LEU 9 9 PHE 10 10 VAL 11 11 ALA 12 12 LEU 13 13 TYR 14 14 ASP 15 15 TYR 16 16 GLU 17 17 ALA 18 18 ARG 19 19 THR 20 20 GLU 21 21 ASP 22 22 ASP 23 23 LEU 24 24 SER 25 25 PHE 26 26 HIS 27 27 LYS 28 28 GLY 29 29 GLU 30 30 LYS 31 31 PHE 32 32 GLN 33 33 ILE 34 34 LEU 35 35 ASN 36 36 SER 37 37 SER 38 38 GLU 39 39 GLY 40 40 ASP 41 41 TRP 42 42 TRP 43 43 GLU 44 44 ALA 45 45 ARG 46 46 SER 47 47 LEU 48 48 THR 49 49 THR 50 50 GLY 51 51 GLU 52 52 THR 53 53 GLY 54 54 TYR 55 55 ILE 56 56 PRO 57 57 SER 58 58 ASN 59 59 TYR 60 60 VAL 61 61 ALA 62 62 PRO 63 63 VAL 64 64 ASP 65 65 ARG 66 66 LEU 67 67 ASP 68 68 TYR 69 69 LYS 70 70 ASP 71 71 ASP 72 72 ASP 73 73 ASP 74 74 LYS 75 75 HIS 76 76 HIS 77 77 HIS 78 78 HIS 79 79 HIS 80 80 HIS 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_S72-S107_peptide 'House mouse' 10090 Eukaryota Metazoa Mus musculus $Fyn_SH3_domain chicken 9031 Eukaryota Metazoa Gallus gallus 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_S72-S107_peptide 'recombinant technology' . Escherichia coli . 'pET-SUMO vector' $Fyn_SH3_domain 'recombinant technology' . Escherichia coli . pAD100 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MBP+Fyn_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MBP_S72-S107_peptide 850 mM '[U-100% 13C; U-100% 15N]' $Fyn_SH3_domain 850 mM 'natural abundance' D2O 10 % [U-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_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+Fyn_sample save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $MBP+Fyn_sample save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $MBP+Fyn_sample save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $MBP+Fyn_sample save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $MBP+Fyn_sample save_ save_3D_HACAN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACAN' _Sample_label $MBP+Fyn_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 ambient . 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_PPH+Fyn_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+Fyn_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MBP 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 2 2 GLN H H 8.48 0.02 1 2 2 2 GLN HA H 4.34 0.02 1 3 2 2 GLN C C 175.7 0.3 1 4 2 2 GLN CA C 55.9 0.3 1 5 2 2 GLN CB C 29.4 0.3 1 6 2 2 GLN N N 122.0 0.3 1 7 3 3 HIS H H 8.50 0.02 1 8 3 3 HIS HA H 4.61 0.02 1 9 3 3 HIS HB2 H 1.99 0.02 2 10 3 3 HIS HB3 H 1.90 0.02 2 11 3 3 HIS C C 175.4 0.3 1 12 3 3 HIS CA C 55.9 0.3 1 13 3 3 HIS CB C 29.7 0.3 1 14 3 3 HIS N N 120.3 0.3 1 15 4 4 GLY H H 8.39 0.02 1 16 4 4 GLY HA2 H 3.94 0.02 2 17 4 4 GLY HA3 H 3.94 0.02 2 18 4 4 GLY C C 173.9 0.3 1 19 4 4 GLY CA C 45.1 0.3 1 20 4 4 GLY N N 110.4 0.3 1 21 5 5 ARG H H 8.31 0.02 1 22 5 5 ARG HA H 4.41 0.02 1 23 5 5 ARG HB2 H 1.82 0.02 1 24 5 5 ARG HG2 H 1.57 0.02 1 25 5 5 ARG HD2 H 3.11 0.02 1 26 5 5 ARG C C 176.8 0.3 1 27 5 5 ARG CA C 56.0 0.3 1 28 5 5 ARG CB C 30.7 0.3 1 29 5 5 ARG CG C 26.8 0.3 1 30 5 5 ARG CD C 42.8 0.3 1 31 5 5 ARG N N 120.9 0.3 1 32 6 6 THR H H 8.31 0.02 1 33 6 6 THR HA H 4.31 0.02 1 34 6 6 THR HB H 4.21 0.02 1 35 6 6 THR HG2 H 1.17 0.02 1 36 6 6 THR C C 174.7 0.3 1 37 6 6 THR CA C 62.1 0.3 1 38 6 6 THR CB C 69.6 0.3 1 39 6 6 THR CG2 C 21.5 0.3 1 40 6 6 THR N N 115.8 0.3 1 41 7 7 GLN H H 8.48 0.02 1 42 7 7 GLN HA H 4.34 0.02 1 43 7 7 GLN C C 175.6 0.3 1 44 7 7 GLN CA C 56.0 0.3 1 45 7 7 GLN CB C 29.1 0.3 1 46 7 7 GLN N N 122.0 0.3 1 47 8 8 ASP H H 8.27 0.02 1 48 8 8 ASP HA H 4.55 0.02 1 49 8 8 ASP HB2 H 2.69 0.02 2 50 8 8 ASP HB3 H 2.66 0.02 2 51 8 8 ASP C C 176.0 0.3 1 52 8 8 ASP CA C 54.5 0.3 1 53 8 8 ASP CB C 41.1 0.3 1 54 8 8 ASP N N 121.3 0.3 1 55 9 9 GLU H H 8.26 0.02 1 56 9 9 GLU HA H 4.23 0.02 1 57 9 9 GLU C C 176.0 0.3 1 58 9 9 GLU CA C 56.4 0.3 1 59 9 9 GLU CB C 30.3 0.3 1 60 9 9 GLU CG C 36.0 0.3 1 61 9 9 GLU N N 120.8 0.3 1 62 10 10 ASN H H 8.44 0.02 1 63 10 10 ASN HA H 4.91 0.02 1 64 10 10 ASN HB2 H 2.76 0.02 2 65 10 10 ASN HB3 H 2.65 0.02 2 66 10 10 ASN C C 173.1 0.3 1 67 10 10 ASN CA C 51.4 0.3 1 68 10 10 ASN CB C 38.7 0.3 1 69 10 10 ASN N N 120.6 0.3 1 70 11 11 PRO HA H 4.41 0.02 1 71 11 11 PRO C C 176.9 0.3 1 72 11 11 PRO CA C 63.3 0.3 1 73 11 11 PRO CB C 31.9 0.3 1 74 11 11 PRO CG C 27.1 0.3 1 75 11 11 PRO CD C 50.7 0.3 1 76 11 11 PRO N N 136.4 0.3 1 77 12 12 VAL H H 8.13 0.02 1 78 12 12 VAL HA H 3.96 0.02 1 79 12 12 VAL HB H 1.86 0.02 1 80 12 12 VAL HG1 H 0.88 0.02 1 81 12 12 VAL HG2 H 0.76 0.02 1 82 12 12 VAL C C 176.1 0.3 1 83 12 12 VAL CA C 62.9 0.3 1 84 12 12 VAL CB C 32.1 0.3 1 85 12 12 VAL CG1 C 20.7 0.3 1 86 12 12 VAL CG2 C 20.7 0.3 1 87 12 12 VAL N N 120.4 0.3 1 88 13 13 VAL H H 7.96 0.02 1 89 13 13 VAL HA H 3.96 0.02 1 90 13 13 VAL HB H 1.95 0.02 1 91 13 13 VAL HG1 H 0.80 0.02 1 92 13 13 VAL HG2 H 0.69 0.02 1 93 13 13 VAL C C 175.6 0.3 1 94 13 13 VAL CA C 62.3 0.3 1 95 13 13 VAL CB C 32.4 0.3 1 96 13 13 VAL CG1 C 20.7 0.3 1 97 13 13 VAL CG2 C 20.7 0.3 1 98 13 13 VAL N N 123.5 0.3 1 99 14 14 HIS H H 8.25 0.02 1 100 14 14 HIS HA H 4.53 0.02 1 101 14 14 HIS HB2 H 2.00 0.02 2 102 14 14 HIS HB3 H 1.89 0.02 2 103 14 14 HIS C C 174.4 0.3 1 104 14 14 HIS CA C 55.5 0.3 1 105 14 14 HIS CB C 30.2 0.3 1 106 14 14 HIS N N 122.6 0.3 1 107 15 15 PHE H H 8.11 0.02 1 108 15 15 PHE HA H 4.51 0.02 1 109 15 15 PHE HB2 H 3.02 0.02 2 110 15 15 PHE HB3 H 2.93 0.02 2 111 15 15 PHE C C 175.2 0.3 1 112 15 15 PHE CA C 57.7 0.3 1 113 15 15 PHE CB C 39.6 0.3 1 114 15 15 PHE N N 121.6 0.3 1 115 16 16 PHE H H 8.17 0.02 1 116 16 16 PHE HA H 4.50 0.02 1 117 16 16 PHE HB2 H 2.87 0.02 1 118 16 16 PHE HB3 H 2.87 0.02 1 119 16 16 PHE C C 175.2 0.3 1 120 16 16 PHE CA C 57.7 0.3 1 121 16 16 PHE CB C 39.5 0.3 1 122 16 16 PHE N N 121.6 0.3 1 123 17 17 LYS H H 8.06 0.02 1 124 17 17 LYS HA H 4.16 0.02 1 125 17 17 LYS HB2 H 1.71 0.02 2 126 17 17 LYS HB3 H 1.62 0.02 2 127 17 17 LYS HG2 H 1.28 0.02 2 128 17 17 LYS HG3 H 1.28 0.02 2 129 17 17 LYS HD2 H 1.60 0.02 2 130 17 17 LYS HD3 H 1.61 0.02 2 131 17 17 LYS HE2 H 2.93 0.02 2 132 17 17 LYS HE3 H 2.90 0.02 2 133 17 17 LYS C C 175.7 0.3 1 134 17 17 LYS CA C 56.3 0.3 1 135 17 17 LYS CB C 32.9 0.3 1 136 17 17 LYS CG C 24.5 0.3 1 137 17 17 LYS CD C 28.9 0.3 1 138 17 17 LYS CE C 42.0 0.3 1 139 17 17 LYS N N 122.5 0.3 1 140 18 18 ASN H H 8.28 0.02 1 141 18 18 ASN HA H 4.62 0.02 1 142 18 18 ASN HB2 H 2.76 0.02 2 143 18 18 ASN HB3 H 2.65 0.02 2 144 18 18 ASN C C 174.7 0.3 1 145 18 18 ASN CA C 53.2 0.3 1 146 18 18 ASN CB C 38.6 0.3 1 147 18 18 ASN N N 119.4 0.3 1 148 19 19 ILE H H 7.98 0.02 1 149 19 19 ILE HA H 4.15 0.02 1 150 19 19 ILE HB H 1.77 0.02 1 151 19 19 ILE HG12 H 1.33 0.02 2 152 19 19 ILE HG13 H 1.05 0.02 2 153 19 19 ILE HG2 H 0.77 0.02 1 154 19 19 ILE HD1 H 0.73 0.02 1 155 19 19 ILE C C 176.0 0.3 1 156 19 19 ILE CA C 60.9 0.3 1 157 19 19 ILE CB C 38.6 0.3 1 158 19 19 ILE CG1 C 27.0 0.3 1 159 19 19 ILE CG2 C 17.2 0.3 1 160 19 19 ILE CD1 C 12.7 0.3 1 161 19 19 ILE N N 121.2 0.3 1 162 20 20 VAL H H 8.18 0.02 1 163 20 20 VAL HA H 4.14 0.02 1 164 20 20 VAL HB H 1.97 0.02 1 165 20 20 VAL HG1 H 0.85 0.02 1 166 20 20 VAL HG2 H 0.84 0.02 1 167 20 20 VAL C C 176.0 0.3 1 168 20 20 VAL CA C 62.0 0.3 1 169 20 20 VAL CB C 32.6 0.3 1 170 20 20 VAL CG1 C 20.6 0.3 1 171 20 20 VAL CG2 C 20.6 0.3 1 172 20 20 VAL N N 124.9 0.3 1 173 21 21 THR H H 8.23 0.02 1 174 21 21 THR HA H 4.50 0.02 1 175 21 21 THR HB H 4.08 0.02 1 176 21 21 THR HG2 H 1.16 0.02 1 177 21 21 THR C C 172.6 0.3 1 178 21 21 THR CA C 59.7 0.3 1 179 21 21 THR CB C 69.5 0.3 1 180 21 21 THR CG2 C 21.3 0.3 1 181 21 21 THR N N 121.1 0.3 1 182 22 22 PRO HA H 4.38 0.02 1 183 22 22 PRO C C 176.7 0.3 1 184 22 22 PRO CA C 63.0 0.3 1 185 22 22 PRO CB C 31.9 0.3 1 186 22 22 PRO CG C 27.1 0.3 1 187 22 22 PRO CD C 50.7 0.3 1 188 22 22 PRO N N 138.3 0.3 1 189 23 23 ARG H H 8.44 0.02 1 190 23 23 ARG HA H 4.31 0.02 1 191 23 23 ARG C C 176.5 0.3 1 192 23 23 ARG CA C 56.0 0.3 1 193 23 23 ARG CB C 30.7 0.3 1 194 23 23 ARG N N 121.5 0.3 1 195 24 24 THR H H 8.16 0.02 1 196 24 24 THR HA H 4.49 0.02 1 197 24 24 THR C C 172.2 0.3 1 198 24 24 THR CA C 59.6 0.3 1 199 24 24 THR CB C 69.4 0.3 1 200 24 24 THR CG2 C 21.3 0.3 1 201 24 24 THR N N 117.4 0.3 1 202 25 25 PRO HA H 4.62 0.02 1 203 25 25 PRO CA C 61.4 0.3 1 204 25 25 PRO CB C 30.4 0.3 1 205 25 25 PRO CG C 27.3 0.3 1 206 25 25 PRO N N 139.5 0.3 1 207 26 26 PRO HA H 4.42 0.02 1 208 26 26 PRO CA C 61.2 0.3 1 209 26 26 PRO CB C 30.2 0.3 1 210 26 26 PRO CG C 27.1 0.3 1 211 26 26 PRO N N 136.3 0.3 1 212 27 27 PRO HA H 4.36 0.02 1 213 27 27 PRO C C 176.8 0.3 1 214 27 27 PRO CA C 62.9 0.3 1 215 27 27 PRO CB C 31.9 0.3 1 216 27 27 PRO CG C 27.2 0.3 1 217 27 27 PRO CD C 50.7 0.3 1 218 27 27 PRO N N 135.2 0.3 1 219 28 28 SER H H 8.26 0.02 1 220 28 28 SER HA H 4.38 0.02 1 221 28 28 SER HB2 H 3.79 0.02 1 222 28 28 SER HB3 H 3.79 0.02 1 223 28 28 SER C C 174.9 0.3 1 224 28 28 SER CA C 58.2 0.3 1 225 28 28 SER CB C 63.8 0.3 1 226 28 28 SER N N 115.4 0.3 1 227 29 29 GLN H H 8.44 0.02 1 228 29 29 GLN HA H 4.34 0.02 1 229 29 29 GLN C C 176.5 0.3 1 230 29 29 GLN CA C 56.0 0.3 1 231 29 29 GLN CB C 29.3 0.3 1 232 29 29 GLN CG C 33.5 0.3 1 233 29 29 GLN N N 122.2 0.3 1 234 30 30 GLY H H 8.41 0.02 1 235 30 30 GLY HA2 H 3.93 0.02 2 236 30 30 GLY HA3 H 3.95 0.02 2 237 30 30 GLY C C 174.1 0.3 1 238 30 30 GLY CA C 45.3 0.3 1 239 30 30 GLY N N 109.8 0.3 1 240 31 31 LYS H H 8.25 0.02 1 241 31 31 LYS HA H 4.28 0.02 1 242 31 31 LYS C C 177.1 0.3 1 243 31 31 LYS CA C 56.3 0.3 1 244 31 31 LYS CB C 32.8 0.3 1 245 31 31 LYS CE C 42.9 0.3 1 246 31 31 LYS N N 120.7 0.3 1 247 32 32 GLY H H 8.48 0.02 1 248 32 32 GLY HA2 H 3.93 0.02 2 249 32 32 GLY HA3 H 3.95 0.02 2 250 32 32 GLY C C 174.1 0.3 1 251 32 32 GLY CA C 45.2 0.3 1 252 32 32 GLY N N 110.0 0.3 1 253 33 33 ARG H H 8.31 0.02 1 254 33 33 ARG HA H 4.33 0.02 1 255 33 33 ARG C C 176.9 0.3 1 256 33 33 ARG CA C 56.1 0.3 1 257 33 33 ARG CB C 30.6 0.3 1 258 33 33 ARG N N 120.9 0.3 1 259 34 34 GLY H H 8.50 0.02 1 260 34 34 GLY HA2 H 3.94 0.02 2 261 34 34 GLY HA3 H 3.95 0.02 2 262 34 34 GLY C C 174.0 0.3 1 263 34 34 GLY CA C 45.3 0.3 1 264 34 34 GLY N N 110.2 0.3 1 265 35 35 LEU H H 8.13 0.02 1 266 35 35 LEU HA H 4.40 0.02 1 267 35 35 LEU HB2 H 1.60 0.02 1 268 35 35 LEU HB3 H 1.60 0.02 1 269 35 35 LEU HG H 1.57 0.02 1 270 35 35 LEU HD1 H 0.83 0.02 1 271 35 35 LEU HD2 H 0.87 0.02 1 272 35 35 LEU C C 176.7 0.3 1 273 35 35 LEU CA C 55.1 0.3 1 274 35 35 LEU CB C 42.4 0.3 1 275 35 35 LEU CG C 26.8 0.3 1 276 35 35 LEU CD1 C 23.2 0.3 1 277 35 35 LEU CD2 C 24.7 0.3 1 278 35 35 LEU N N 121.9 0.3 1 279 36 36 SER H H 7.90 0.02 1 280 36 36 SER HA H 4.24 0.02 1 281 36 36 SER HB2 H 3.82 0.02 1 282 36 36 SER HB3 H 3.82 0.02 1 283 36 36 SER C C 178.6 0.3 1 284 36 36 SER CA C 59.9 0.3 1 285 36 36 SER CB C 64.8 0.3 1 286 36 36 SER N N 121.6 0.3 1 stop_ save_