data_19186 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of a S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP) ; _BMRB_accession_number 19186 _BMRB_flat_file_name bmr19186.str _Entry_type original _Submission_date 2013-04-23 _Accession_date 2013-04-23 _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 Vassall Kenrick . . 2 Bessonov Kyrylo . . 3 'De Avila' Miguel . . 4 Polverini Eugenia . . 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" 70 "13C chemical shifts" 114 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-16 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15131 'NMR assignment of an intrinsically disordered protein under physiological conditions: the 18.5 kDa isoform of murine myelin basic protein' 18520 'Entry containing chemical shift assignments for this molecular system in the presence of dodecylphosphocholine micelles' 6100 'Backbone 1H, 13C and 15N chemical shift assignents of the 18.5kDa isoform of murine myelin basic protein (MBP)' 6857 'Solution structure of an immunodominant epitope of myelin basic protein (MBP) - Conformational dependence on environment of an intrinsically unstructured protein' stop_ _Original_release_date 2013-08-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Effects of Threonine Phosphorylation on the Stability and Dynamics of the Central Molecular Switch Region of 18.5-kDa Myelin Basic Protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23861868 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vassall Kenrick A. . 2 Bessonov Kyrylo . . 3 'De Avila' Miguel . . 4 Polverini Eugenia . . 5 Harauz George . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 8 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e68175 _Page_last e68175 _Year 2013 _Details . loop_ _Keyword Fyn-SH3 'intrinsically disordered proteins' 'myelin basic protein' phosphorylation 'polyproline II' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'S72-S107 peptide of 18.5 kDa MBP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'S72-S107 peptide of 18.5 kDa MBP' $S72-S107 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Fyn-SH3 ligand' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_S72-S107 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S72-S107 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Fyn-SH3 ligand' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; SQHGRTQDENPVVHFFKNIV TPRTPPPSQGKGRGLS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLN 3 HIS 4 GLY 5 ARG 6 THR 7 GLN 8 ASP 9 GLU 10 ASN 11 PRO 12 VAL 13 VAL 14 HIS 15 PHE 16 PHE 17 LYS 18 ASN 19 ILE 20 VAL 21 THR 22 PRO 23 ARG 24 THR 25 PRO 26 PRO 27 PRO 28 SER 29 GLN 30 GLY 31 LYS 32 GLY 33 ARG 34 GLY 35 LEU 36 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 15131 MBP 100.00 176 100.00 100.00 6.73e-16 BMRB 18520 "S72-S107 peptide of 18.5kDa murine MBP" 100.00 36 100.00 100.00 2.48e-16 PDB 1FV1 "Structural Basis For The Binding Of An Immunodominant Peptide From Myelin Basic Protein In Different Registers By Two Hla-Dr2 A" 55.56 20 100.00 100.00 5.72e-04 PDB 2LUG "Solution Nmr Structure Of A S72-s107 Peptide Of 18.5kda Murine Myelin Basic Protein (mbp) In Association With Dodecylphosphocho" 100.00 36 100.00 100.00 2.48e-16 DBJ BAB23830 "unnamed protein product [Mus musculus]" 100.00 128 100.00 100.00 3.73e-16 DBJ BAC37705 "unnamed protein product [Mus musculus]" 100.00 154 100.00 100.00 7.47e-16 DBJ BAE28256 "unnamed protein product [Mus musculus]" 100.00 128 100.00 100.00 3.73e-16 DBJ BAE87162 "unnamed protein product [Macaca fascicularis]" 83.33 160 100.00 100.00 4.42e-12 DBJ BAE87443 "unnamed protein product [Macaca fascicularis]" 94.44 140 100.00 100.00 1.27e-14 EMBL CAA10804 "myelin basic protein [Rattus norvegicus]" 88.89 128 100.00 100.00 4.45e-13 EMBL CAA10805 "myelin basic protein [Rattus norvegicus]" 88.89 154 100.00 100.00 7.34e-13 EMBL CAA10806 "myelin basic protein [Rattus norvegicus]" 88.89 169 100.00 100.00 4.33e-13 EMBL CAA10807 "myelin basic protein [Rattus norvegicus]" 88.89 195 100.00 100.00 6.62e-13 EMBL CAA35179 "myelin basic protein [Homo sapiens]" 94.44 197 100.00 100.00 2.21e-14 GB AAA37720 "alternate [Mus musculus]" 88.89 250 100.00 100.00 2.79e-13 GB AAA39496 "18.5 kd myelin basic protein, partial [Mus musculus]" 100.00 169 100.00 100.00 4.47e-16 GB AAA39497 "14 kd myelin basic protein, partial [Mus musculus]" 100.00 128 100.00 100.00 3.73e-16 GB AAA39499 "14 kd myelin basic protein [Mus musculus]" 100.00 128 100.00 100.00 3.73e-16 GB AAA39500 "17 kd myelin basic protein [Mus musculus]" 100.00 154 100.00 100.00 7.47e-16 REF NP_001020252 "myelin basic protein isoform 1 [Homo sapiens]" 94.44 197 100.00 100.00 2.21e-14 REF NP_001020261 "myelin basic protein isoform 3 [Homo sapiens]" 94.44 171 100.00 100.00 1.17e-14 REF NP_001020263 "myelin basic protein isoform 4 [Homo sapiens]" 83.33 160 100.00 100.00 4.90e-12 REF NP_001020272 "Golli-MBP isoform 1 [Homo sapiens]" 94.44 304 100.00 100.00 1.03e-14 REF NP_001020422 "myelin basic protein isoform 1 [Mus musculus]" 100.00 195 100.00 100.00 8.32e-16 SP P02686 "RecName: Full=Myelin basic protein; Short=MBP; AltName: Full=Myelin A1 protein; AltName: Full=Myelin membrane encephalitogenic " 94.44 304 100.00 100.00 1.03e-14 SP P02688 "RecName: Full=Myelin basic protein; Short=MBP" 88.89 195 100.00 100.00 6.42e-13 SP P04370 "RecName: Full=Myelin basic protein; Short=MBP; AltName: Full=Myelin A1 protein" 88.89 250 100.00 100.00 2.79e-13 SP P06906 "RecName: Full=Myelin basic protein; Short=MBP" 88.89 171 100.00 100.00 5.10e-13 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $S72-S107 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 $S72-S107 'recombinant technology' . Escherichia coli . 'pET-SUMO vector' 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 $S72-S107 1.7 mM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 10 % '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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' 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 $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HACAN_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACAN' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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 7.5 . 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 . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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_assigned_chem_shift_list_1 _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' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'S72-S107 peptide of 18.5 kDa MBP' _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 HIS HA H 4.63 0.02 1 2 3 3 HIS CA C 56.2 0.3 1 3 3 3 HIS CB C 30.3 0.3 1 4 3 3 HIS N N 120.3 0.3 1 5 4 4 GLY H H 8.40 0.02 1 6 4 4 GLY HA2 H 3.95 0.02 1 7 4 4 GLY HA3 H 3.95 0.02 1 8 4 4 GLY C C 173.1 0.3 1 9 4 4 GLY CA C 45.2 0.3 1 10 4 4 GLY N N 110.4 0.3 1 11 5 5 ARG H H 8.35 0.02 1 12 5 5 ARG HA H 4.45 0.02 1 13 5 5 ARG C C 175.9 0.3 1 14 5 5 ARG CA C 56.1 0.3 1 15 5 5 ARG CB C 30.9 0.3 1 16 5 5 ARG N N 120.9 0.3 1 17 6 6 THR H H 8.32 0.02 1 18 6 6 THR HA H 4.32 0.02 1 19 6 6 THR C C 173.8 0.3 1 20 6 6 THR CA C 62.2 0.3 1 21 6 6 THR CB C 69.8 0.3 1 22 6 6 THR CG2 C 21.6 0.3 1 23 6 6 THR N N 115.8 0.3 1 24 7 7 GLN H H 8.49 0.02 1 25 7 7 GLN HA H 4.36 0.02 1 26 7 7 GLN C C 174.6 0.3 1 27 7 7 GLN CA C 56.0 0.3 1 28 7 7 GLN CB C 29.2 0.3 1 29 7 7 GLN N N 122.0 0.3 1 30 8 8 ASP H H 8.30 0.02 1 31 8 8 ASP HA H 4.55 0.02 1 32 8 8 ASP C C 175.0 0.3 1 33 8 8 ASP CA C 54.5 0.3 1 34 8 8 ASP CB C 41.1 0.3 1 35 8 8 ASP N N 121.5 0.3 1 36 9 9 GLU H H 8.28 0.02 1 37 9 9 GLU HA H 4.32 0.02 1 38 9 9 GLU C C 175.0 0.3 1 39 9 9 GLU CA C 56.4 0.3 1 40 9 9 GLU CB C 30.4 0.3 1 41 9 9 GLU N N 120.9 0.3 1 42 10 10 ASN H H 8.46 0.02 1 43 10 10 ASN HA H 4.94 0.02 1 44 10 10 ASN C C 172.1 0.3 1 45 10 10 ASN CA C 51.5 0.3 1 46 10 10 ASN CB C 38.9 0.3 1 47 10 10 ASN N N 120.7 0.3 1 48 11 11 PRO HA H 4.41 0.02 1 49 11 11 PRO CA C 63.3 0.3 1 50 11 11 PRO CB C 32.1 0.3 1 51 11 11 PRO CG C 28.1 0.3 1 52 11 11 PRO CD C 50.8 0.3 1 53 11 11 PRO N N 136.3 0.3 1 54 12 12 VAL H H 8.14 0.02 1 55 12 12 VAL HA H 3.97 0.02 1 56 12 12 VAL C C 175.1 0.3 1 57 12 12 VAL CA C 62.9 0.3 1 58 12 12 VAL CB C 32.2 0.3 1 59 12 12 VAL CG1 C 20.9 0.3 1 60 12 12 VAL CG2 C 20.9 0.3 1 61 12 12 VAL N N 120.4 0.3 1 62 13 13 VAL H H 8.00 0.02 1 63 13 13 VAL HA H 3.98 0.02 1 64 13 13 VAL C C 174.6 0.3 1 65 13 13 VAL CA C 62.4 0.3 1 66 13 13 VAL CB C 32.5 0.3 1 67 13 13 VAL CG1 C 20.8 0.3 1 68 13 13 VAL CG2 C 20.8 0.3 1 69 13 13 VAL N N 123.6 0.3 1 70 14 14 HIS H H 8.25 0.02 1 71 14 14 HIS HA H 4.54 0.02 1 72 14 14 HIS C C 173.5 0.3 1 73 14 14 HIS CA C 55.6 0.3 1 74 14 14 HIS CB C 30.4 0.3 1 75 14 14 HIS N N 122.8 0.3 1 76 15 15 PHE H H 8.10 0.02 1 77 15 15 PHE HA H 4.53 0.02 1 78 15 15 PHE C C 174.2 0.3 1 79 15 15 PHE CA C 57.6 0.3 1 80 15 15 PHE CB C 39.7 0.3 1 81 15 15 PHE N N 121.5 0.3 1 82 16 16 PHE H H 8.22 0.02 1 83 16 16 PHE HA H 4.54 0.02 1 84 16 16 PHE C C 174.2 0.3 1 85 16 16 PHE CA C 57.6 0.3 1 86 16 16 PHE CB C 39.6 0.3 1 87 16 16 PHE N N 121.9 0.3 1 88 17 17 LYS H H 8.12 0.02 1 89 17 17 LYS HA H 4.20 0.02 1 90 17 17 LYS C C 174.6 0.3 1 91 17 17 LYS CA C 56.2 0.3 1 92 17 17 LYS CB C 33.1 0.3 1 93 17 17 LYS N N 122.7 0.3 1 94 18 18 ASN H H 8.33 0.02 1 95 18 18 ASN HA H 4.63 0.02 1 96 18 18 ASN C C 173.8 0.3 1 97 18 18 ASN CA C 53.3 0.3 1 98 18 18 ASN CB C 38.8 0.3 1 99 18 18 ASN N N 119.9 0.3 1 100 19 19 ILE H H 8.07 0.02 1 101 19 19 ILE HA H 4.16 0.02 1 102 19 19 ILE C C 175.1 0.3 1 103 19 19 ILE CA C 61.1 0.3 1 104 19 19 ILE CB C 38.7 0.3 1 105 19 19 ILE CG1 C 27.0 0.3 1 106 19 19 ILE CG2 C 17.4 0.3 1 107 19 19 ILE CD1 C 12.8 0.3 1 108 19 19 ILE N N 121.5 0.3 1 109 20 20 VAL H H 8.28 0.02 1 110 20 20 VAL HA H 4.14 0.02 1 111 20 20 VAL C C 175.0 0.3 1 112 20 20 VAL CA C 62.2 0.3 1 113 20 20 VAL CB C 32.6 0.3 1 114 20 20 VAL CG1 C 20.8 0.3 1 115 20 20 VAL CG2 C 20.8 0.3 1 116 20 20 VAL N N 125.3 0.3 1 117 21 21 THR H H 8.31 0.02 1 118 21 21 THR HA H 4.56 0.02 1 119 21 21 THR C C 171.7 0.3 1 120 21 21 THR CA C 59.7 0.3 1 121 21 21 THR CB C 69.7 0.3 1 122 21 21 THR CG2 C 21.3 0.3 1 123 21 21 THR N N 121.8 0.3 1 124 22 22 PRO HA H 4.40 0.02 1 125 22 22 PRO CA C 63.1 0.3 1 126 22 22 PRO CB C 32.1 0.3 1 127 22 22 PRO CG C 28.1 0.3 1 128 22 22 PRO CD C 51.0 0.3 1 129 22 22 PRO N N 138.5 0.3 1 130 23 23 ARG H H 8.46 0.02 1 131 23 23 ARG HA H 4.34 0.02 1 132 23 23 ARG C C 175.4 0.3 1 133 23 23 ARG CA C 56.0 0.3 1 134 23 23 ARG CB C 30.7 0.3 1 135 23 23 ARG N N 121.6 0.3 1 136 24 24 THR H H 8.22 0.02 1 137 24 24 THR HA H 4.55 0.02 1 138 24 24 THR C C 171.3 0.3 1 139 24 24 THR CA C 59.7 0.3 1 140 24 24 THR CB C 69.7 0.3 1 141 24 24 THR CG2 C 21.3 0.3 1 142 24 24 THR N N 118.3 0.3 1 143 25 25 PRO HA H 4.66 0.02 1 144 25 25 PRO CA C 61.5 0.3 1 145 25 25 PRO CB C 30.6 0.3 1 146 25 25 PRO CG C 28.1 0.3 1 147 25 25 PRO CD C 51.0 0.3 1 148 25 25 PRO N N 140.5 0.3 1 149 26 26 PRO HA H 4.70 0.02 1 150 26 26 PRO CA C 61.3 0.3 1 151 26 26 PRO CB C 30.6 0.3 1 152 26 26 PRO CG C 28.0 0.3 1 153 26 26 PRO CD C 50.4 0.3 1 154 26 26 PRO N N 136.8 0.3 1 155 27 27 PRO HA H 4.43 0.02 1 156 27 27 PRO CA C 63.1 0.3 1 157 27 27 PRO CB C 32.0 0.3 1 158 27 27 PRO CG C 28.1 0.3 1 159 27 27 PRO CD C 50.7 0.3 1 160 27 27 PRO N N 135.4 0.3 1 161 28 28 SER H H 8.38 0.02 1 162 28 28 SER HA H 4.38 0.02 1 163 28 28 SER HB2 H 3.85 0.02 1 164 28 28 SER HB3 H 3.85 0.02 1 165 28 28 SER C C 173.8 0.3 1 166 28 28 SER CA C 58.4 0.3 1 167 28 28 SER CB C 63.8 0.3 1 168 28 28 SER N N 115.7 0.3 1 169 29 29 GLN H H 8.44 0.02 1 170 29 29 GLN HA H 4.36 0.02 1 171 29 29 GLN C C 175.4 0.3 1 172 29 29 GLN CA C 55.9 0.3 1 173 29 29 GLN CB C 29.4 0.3 1 174 29 29 GLN N N 122.1 0.3 1 175 30 30 GLY H H 8.42 0.02 1 176 30 30 GLY HA2 H 3.95 0.02 1 177 30 30 GLY HA3 H 3.95 0.02 1 178 30 30 GLY C C 173.1 0.3 1 179 30 30 GLY CA C 45.2 0.3 1 180 30 30 GLY N N 109.9 0.3 1 181 31 31 LYS H H 8.29 0.02 1 182 31 31 LYS HA H 4.33 0.02 1 183 31 31 LYS C C 176.1 0.3 1 184 31 31 LYS CA C 56.4 0.3 1 185 31 31 LYS CB C 30.4 0.3 1 186 31 31 LYS N N 120.7 0.3 1 187 32 32 GLY H H 8.51 0.02 1 188 32 32 GLY HA2 H 3.95 0.02 1 189 32 32 GLY HA3 H 3.95 0.02 1 190 32 32 GLY C C 173.1 0.3 1 191 32 32 GLY CA C 45.2 0.3 1 192 32 32 GLY N N 110.1 0.3 1 193 33 33 ARG H H 8.28 0.02 1 194 33 33 ARG HA H 4.33 0.02 1 195 33 33 ARG C C 176.2 0.3 1 196 33 33 ARG CA C 56.4 0.3 1 197 33 33 ARG CB C 32.9 0.3 1 198 33 33 ARG N N 120.8 0.3 1 199 34 34 GLY H H 8.49 0.02 1 200 34 34 GLY HA2 H 3.95 0.02 1 201 34 34 GLY HA3 H 3.95 0.02 1 202 34 34 GLY C C 173.1 0.3 1 203 34 34 GLY CA C 45.2 0.3 1 204 34 34 GLY N N 110.0 0.3 1 205 35 35 LEU H H 8.15 0.02 1 206 35 35 LEU HA H 4.41 0.02 1 207 35 35 LEU C C 175.8 0.3 1 208 35 35 LEU CA C 55.2 0.3 1 209 35 35 LEU CB C 42.4 0.3 1 210 35 35 LEU N N 122.0 0.3 1 211 36 36 SER H H 7.92 0.02 1 212 36 36 SER HA H 4.25 0.02 1 213 36 36 SER HB2 H 3.84 0.02 1 214 36 36 SER HB3 H 3.84 0.02 1 215 36 36 SER C C 177.6 0.3 1 216 36 36 SER CA C 60.0 0.3 1 217 36 36 SER CB C 64.9 0.3 1 218 36 36 SER N N 121.6 0.3 1 stop_ save_