data_15298 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Beta-synuclein ; _BMRB_accession_number 15298 _BMRB_flat_file_name bmr15298.str _Entry_type original _Submission_date 2007-06-11 _Accession_date 2007-06-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR backbone assignment of the intrinsically unfolded protein beta-synuclein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertoncini Carlos W. . 2 Rasia Rodolfo M. . 3 Binolfi Andres . . 4 Zweckstetter Markus . . 5 Griesinger Christian . . 6 Fernandez Claudio O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 246 "13C chemical shifts" 383 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-03 update BMRB 'complete entry citation' 2007-08-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization of the intrinsically unfolded protein beta-synuclein, a natural negative regulator of alpha-Synuclein aggregation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17681539 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertoncini Carlos W. . 2 Rasia Rodolfo M. . 3 Lamberto Gonzalo R. . 4 Binolfi Andres . . 5 Zweckstetter Markus . . 6 Griesinger Christian . . 7 Fernandez Claudio O. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 372 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 708 _Page_last 722 _Year 2007 _Details . loop_ _Keyword Amyloid 'intrinsically unfolded' NMR 'protein aggregation' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name beta-synuclein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'polypeptide chain' $beta-synuclein stop_ _System_molecular_weight 14288 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details Protein save_ ######################## # Monomeric polymers # ######################## save_beta-synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta-synuclein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; MDVFMKGLSMAKEGVVAAAE KTKQGVTEAAEKTKEGVLYV GSKTREGVVQGVASVAEKTK EQASHLGGAVFSGAGNIAAA TGLVKREEFPTDLKPEEVAQ EAAEEPLIEPLMEPEGESYE DPPQEEYQEYEPEA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 VAL 4 PHE 5 MET 6 LYS 7 GLY 8 LEU 9 SER 10 MET 11 ALA 12 LYS 13 GLU 14 GLY 15 VAL 16 VAL 17 ALA 18 ALA 19 ALA 20 GLU 21 LYS 22 THR 23 LYS 24 GLN 25 GLY 26 VAL 27 THR 28 GLU 29 ALA 30 ALA 31 GLU 32 LYS 33 THR 34 LYS 35 GLU 36 GLY 37 VAL 38 LEU 39 TYR 40 VAL 41 GLY 42 SER 43 LYS 44 THR 45 ARG 46 GLU 47 GLY 48 VAL 49 VAL 50 GLN 51 GLY 52 VAL 53 ALA 54 SER 55 VAL 56 ALA 57 GLU 58 LYS 59 THR 60 LYS 61 GLU 62 GLN 63 ALA 64 SER 65 HIS 66 LEU 67 GLY 68 GLY 69 ALA 70 VAL 71 PHE 72 SER 73 GLY 74 ALA 75 GLY 76 ASN 77 ILE 78 ALA 79 ALA 80 ALA 81 THR 82 GLY 83 LEU 84 VAL 85 LYS 86 ARG 87 GLU 88 GLU 89 PHE 90 PRO 91 THR 92 ASP 93 LEU 94 LYS 95 PRO 96 GLU 97 GLU 98 VAL 99 ALA 100 GLN 101 GLU 102 ALA 103 ALA 104 GLU 105 GLU 106 PRO 107 LEU 108 ILE 109 GLU 110 PRO 111 LEU 112 MET 113 GLU 114 PRO 115 GLU 116 GLY 117 GLU 118 SER 119 TYR 120 GLU 121 ASP 122 PRO 123 PRO 124 GLN 125 GLU 126 GLU 127 TYR 128 GLN 129 GLU 130 TYR 131 GLU 132 PRO 133 GLU 134 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 16304 beta-synuclein 100.00 134 100.00 100.00 6.69e-86 DBJ BAA04610 "phosphoneuroprotein 14 [Rattus sp.]" 100.00 137 97.76 99.25 2.68e-83 DBJ BAG73791 "synuclein, beta [synthetic construct]" 100.00 134 100.00 100.00 6.69e-86 EMBL CAG33308 "SNCB [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 GB AAB28945 "phosphoneuroprotein 14, PNP 14 [cattle, brain, Peptide, 134 aa]" 100.00 134 97.01 99.25 1.35e-82 GB AAB30860 "beta-synuclein [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 GB AAC80286 "beta-synuclein [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 GB AAH02902 "Synuclein, beta [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 GB AAH19409 "Synuclein, beta [Mus musculus]" 100.00 133 97.01 97.76 5.89e-81 PIR I56498 "phosphoneuroprotein 14 - rat" 100.00 137 97.76 99.25 2.68e-83 REF NP_001001502 "beta-synuclein [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 REF NP_001068828 "beta-synuclein [Bos taurus]" 100.00 134 97.76 99.25 3.26e-83 REF NP_001106164 "beta-synuclein [Sus scrofa]" 100.00 133 97.01 98.51 3.45e-81 REF NP_001248469 "beta-synuclein [Macaca mulatta]" 100.00 134 100.00 100.00 6.69e-86 REF NP_003076 "beta-synuclein [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 SP P33567 "RecName: Full=Beta-synuclein; AltName: Full=14 kDa brain-specific protein; AltName: Full=Phosphoneuroprotein 14; Short=PNP 14" 100.00 134 97.01 99.25 1.35e-82 SP Q16143 "RecName: Full=Beta-synuclein" 100.00 134 100.00 100.00 6.69e-86 SP Q63754 "RecName: Full=Beta-synuclein; AltName: Full=Phosphoneuroprotein 14; Short=PNP 14" 100.00 137 97.76 99.25 2.68e-83 SP Q91ZZ3 "RecName: Full=Beta-synuclein" 100.00 133 97.01 97.76 5.89e-81 TPG DAA27687 "TPA: synuclein, beta [Bos taurus]" 100.00 134 97.01 99.25 2.16e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $beta-synuclein 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 $beta-synuclein 'recombinant technology' . Escherichia coli . PT7-7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '400 uM 15N-13C labeled beta-synuclein in MES buffer pH 6.5, 100 mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $beta-synuclein 400 uM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' MES 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details Cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details Cryoprobe 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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '400 uM 15N-13C labeled beta-synuclein in MES buffer pH 6.5, 100 mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Indirect chemical shift reference to 1H, employing DSS as standard' 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CO)CA' '3D HNN' '3D HNHA' 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 'polypeptide chain' _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 ASP C C 175.94 0.05 1 2 2 2 ASP CA C 54.17 0.05 1 3 2 2 ASP CB C 41.52 0.05 1 4 3 3 VAL H H 8.1 0.05 1 5 3 3 VAL HA H 3.81 0.05 1 6 3 3 VAL C C 176 0.05 1 7 3 3 VAL CA C 62.55 0.05 1 8 3 3 VAL CB C 32.66 0.05 1 9 3 3 VAL N N 120.31 0.05 1 10 4 4 PHE H H 8.18 0.05 1 11 4 4 PHE HA H 4.4 0.05 1 12 4 4 PHE C C 175.92 0.05 1 13 4 4 PHE CA C 57.93 0.05 1 14 4 4 PHE CB C 39.26 0.05 1 15 4 4 PHE N N 123.46 0.05 1 16 5 5 MET H H 8.06 0.05 1 17 5 5 MET HA H 4.18 0.05 1 18 5 5 MET C C 176.01 0.05 1 19 5 5 MET CA C 55.25 0.05 1 20 5 5 MET CB C 32.61 0.05 1 21 5 5 MET N N 122.25 0.05 1 22 6 6 LYS H H 8.11 0.05 1 23 6 6 LYS HA H 4.01 0.05 1 24 6 6 LYS C C 177.27 0.05 1 25 6 6 LYS CA C 56.72 0.05 1 26 6 6 LYS CB C 32.82 0.05 1 27 6 6 LYS N N 122.56 0.05 1 28 7 7 GLY H H 8.24 0.05 1 29 7 7 GLY HA2 H 3.74 0.05 2 30 7 7 GLY C C 173.99 0.05 1 31 7 7 GLY CA C 45.26 0.05 1 32 7 7 GLY N N 109.69 0.05 1 33 8 8 LEU H H 7.9 0.05 1 34 8 8 LEU HA H 4.15 0.05 1 35 8 8 LEU C C 177.75 0.05 1 36 8 8 LEU CA C 55.15 0.05 1 37 8 8 LEU CB C 42.46 0.05 1 38 8 8 LEU N N 121.5 0.05 1 39 9 9 SER H H 8.17 0.05 1 40 9 9 SER HA H 4.23 0.05 1 41 9 9 SER C C 174.75 0.05 1 42 9 9 SER CA C 58.35 0.05 1 43 9 9 SER CB C 63.65 0.05 1 44 9 9 SER N N 116.27 0.05 1 45 10 10 MET H H 8.22 0.05 1 46 10 10 MET HA H 4.3 0.05 1 47 10 10 MET C C 176.14 0.05 1 48 10 10 MET CA C 55.26 0.05 1 49 10 10 MET CB C 32.67 0.05 1 50 10 10 MET N N 122.36 0.05 1 51 11 11 ALA H H 8.09 0.05 1 52 11 11 ALA HA H 4.08 0.05 1 53 11 11 ALA C C 177.9 0.05 1 54 11 11 ALA CA C 52.49 0.05 1 55 11 11 ALA CB C 19.07 0.05 1 56 11 11 ALA N N 125.07 0.05 1 57 12 12 LYS H H 8.18 0.05 1 58 12 12 LYS HA H 4.06 0.05 1 59 12 12 LYS C C 176.81 0.05 1 60 12 12 LYS CA C 56.15 0.05 1 61 12 12 LYS CB C 32.94 0.05 1 62 12 12 LYS N N 120.89 0.05 1 63 13 13 GLU H H 8.31 0.05 1 64 13 13 GLU HA H 4.05 0.05 1 65 13 13 GLU C C 177.11 0.05 1 66 13 13 GLU CA C 56.66 0.05 1 67 13 13 GLU CB C 30.05 0.05 1 68 13 13 GLU N N 121.8 0.05 1 69 14 14 GLY H H 8.29 0.05 1 70 14 14 GLY HA2 H 3.74 0.05 2 71 14 14 GLY C C 174.12 0.05 1 72 14 14 GLY CA C 45.23 0.05 1 73 14 14 GLY N N 109.93 0.05 1 74 15 15 VAL H H 7.8 0.05 1 75 15 15 VAL HA H 3.88 0.05 1 76 15 15 VAL C C 176.58 0.05 1 77 15 15 VAL CA C 62.54 0.05 1 78 15 15 VAL CB C 32.66 0.05 1 79 15 15 VAL N N 119.99 0.05 1 80 16 16 VAL H H 8.12 0.05 1 81 16 16 VAL HA H 3.86 0.05 1 82 16 16 VAL C C 176.05 0.05 1 83 16 16 VAL CA C 62.35 0.05 1 84 16 16 VAL CB C 32.66 0.05 1 85 16 16 VAL N N 125.12 0.05 1 86 17 17 ALA H H 8.28 0.05 1 87 17 17 ALA HA H 4.07 0.05 1 88 17 17 ALA C C 177.78 0.05 1 89 17 17 ALA CA C 52.47 0.05 1 90 17 17 ALA CB C 19.04 0.05 1 91 17 17 ALA N N 128.29 0.05 1 92 18 18 ALA H H 8.15 0.05 1 93 18 18 ALA HA H 4.03 0.05 1 94 18 18 ALA C C 178.01 0.05 1 95 18 18 ALA CA C 52.56 0.05 1 96 18 18 ALA CB C 18.97 0.05 1 97 18 18 ALA N N 123.53 0.05 1 98 19 19 ALA H H 8.11 0.05 1 99 19 19 ALA HA H 4.04 0.05 1 100 19 19 ALA C C 178.33 0.05 1 101 19 19 ALA CA C 52.73 0.05 1 102 19 19 ALA CB C 19.05 0.05 1 103 19 19 ALA N N 122.97 0.05 1 104 20 20 GLU H H 8.16 0.05 1 105 20 20 GLU HA H 4.02 0.05 1 106 20 20 GLU C C 177.06 0.05 1 107 20 20 GLU CA C 56.65 0.05 1 108 20 20 GLU CB C 30.09 0.05 1 109 20 20 GLU N N 119.97 0.05 1 110 21 21 LYS H H 8.17 0.05 1 111 21 21 LYS HA H 4.12 0.05 1 112 21 21 LYS C C 177.25 0.05 1 113 21 21 LYS CA C 56.6 0.05 1 114 21 21 LYS CB C 32.76 0.05 1 115 21 21 LYS N N 122.2 0.05 1 116 22 22 THR H H 7.96 0.05 1 117 22 22 THR HA H 4.07 0.05 1 118 22 22 THR C C 174.78 0.05 1 119 22 22 THR CA C 62.28 0.05 1 120 22 22 THR CB C 69.71 0.05 1 121 22 22 THR N N 115.14 0.05 1 122 23 23 LYS H H 8.18 0.05 1 123 23 23 LYS HA H 4.4 0.05 1 124 23 23 LYS C C 176.7 0.05 1 125 23 23 LYS CA C 56.51 0.05 1 126 23 23 LYS CB C 32.78 0.05 1 127 23 23 LYS N N 123.68 0.05 1 128 24 24 GLN H H 8.25 0.05 1 129 24 24 GLN HA H 4.08 0.05 1 130 24 24 GLN C C 176.57 0.05 1 131 24 24 GLN CA C 56.06 0.05 1 132 24 24 GLN CB C 29.45 0.05 1 133 24 24 GLN N N 121.67 0.05 1 134 25 25 GLY H H 8.32 0.05 1 135 25 25 GLY HA2 H 3.76 0.05 2 136 25 25 GLY C C 174.29 0.05 1 137 25 25 GLY CA C 45.25 0.05 1 138 25 25 GLY N N 110.39 0.05 1 139 26 26 VAL H H 7.9 0.05 1 140 26 26 VAL HA H 3.97 0.05 1 141 26 26 VAL C C 176.87 0.05 1 142 26 26 VAL CA C 62.44 0.05 1 143 26 26 VAL CB C 32.71 0.05 1 144 26 26 VAL N N 119.51 0.05 1 145 27 27 THR H H 8.15 0.05 1 146 27 27 THR HA H 4.12 0.05 1 147 27 27 THR C C 174.72 0.05 1 148 27 27 THR CA C 62.27 0.05 1 149 27 27 THR CB C 69.73 0.05 1 150 27 27 THR N N 118.48 0.05 1 151 28 28 GLU H H 8.33 0.05 1 152 28 28 GLU HA H 4.06 0.05 1 153 28 28 GLU C C 176.47 0.05 1 154 28 28 GLU CA C 56.64 0.05 1 155 28 28 GLU CB C 30.27 0.05 1 156 28 28 GLU N N 123.91 0.05 1 157 29 29 ALA H H 8.2 0.05 1 158 29 29 ALA HA H 4.04 0.05 1 159 29 29 ALA C C 177.9 0.05 1 160 29 29 ALA CA C 52.66 0.05 1 161 29 29 ALA CB C 18.98 0.05 1 162 29 29 ALA N N 125 0.05 1 163 30 30 ALA H H 8.09 0.05 1 164 30 30 ALA HA H 4.05 0.05 1 165 30 30 ALA C C 178.3 0.05 1 166 30 30 ALA CA C 52.68 0.05 1 167 30 30 ALA CB C 19.02 0.05 1 168 30 30 ALA N N 123.11 0.05 1 169 31 31 GLU H H 8.17 0.05 1 170 31 31 GLU HA H 4.02 0.05 1 171 31 31 GLU C C 176.9 0.05 1 172 31 31 GLU CA C 56.58 0.05 1 173 31 31 GLU CB C 30.22 0.05 1 174 31 31 GLU N N 119.76 0.05 1 175 32 32 LYS H H 8.15 0.05 1 176 32 32 LYS HA H 4.15 0.05 1 177 32 32 LYS C C 177.17 0.05 1 178 32 32 LYS CA C 56.35 0.05 1 179 32 32 LYS CB C 32.89 0.05 1 180 32 32 LYS N N 122.07 0.05 1 181 33 33 THR H H 8 0.05 1 182 33 33 THR HA H 4.1 0.05 1 183 33 33 THR C C 174.87 0.05 1 184 33 33 THR CA C 62.14 0.05 1 185 33 33 THR CB C 69.78 0.05 1 186 33 33 THR N N 115.27 0.05 1 187 34 34 LYS H H 8.22 0.05 1 188 34 34 LYS HA H 4.06 0.05 1 189 34 34 LYS C C 176.74 0.05 1 190 34 34 LYS CA C 56.52 0.05 1 191 34 34 LYS CB C 32.8 0.05 1 192 34 34 LYS N N 123.53 0.05 1 193 35 35 GLU H H 8.23 0.05 1 194 35 35 GLU HA H 4.04 0.05 1 195 35 35 GLU C C 177.16 0.05 1 196 35 35 GLU CA C 56.59 0.05 1 197 35 35 GLU CB C 30.2 0.05 1 198 35 35 GLU N N 121.54 0.05 1 199 36 36 GLY H H 8.26 0.05 1 200 36 36 GLY HA2 H 3.74 0.05 2 201 36 36 GLY C C 174.17 0.05 1 202 36 36 GLY CA C 45.31 0.05 1 203 36 36 GLY N N 109.75 0.05 1 204 37 37 VAL H H 7.73 0.05 1 205 37 37 VAL HA H 3.85 0.05 1 206 37 37 VAL C C 176.09 0.05 1 207 37 37 VAL CA C 62.35 0.05 1 208 37 37 VAL CB C 32.64 0.05 1 209 37 37 VAL N N 119.38 0.05 1 210 38 38 LEU H H 8.1 0.05 1 211 38 38 LEU HA H 4.13 0.05 1 212 38 38 LEU C C 176.81 0.05 1 213 38 38 LEU CA C 54.84 0.05 1 214 38 38 LEU CB C 42.43 0.05 1 215 38 38 LEU N N 125.53 0.05 1 216 39 39 TYR H H 8.1 0.05 1 217 39 39 TYR HA H 4.36 0.05 1 218 39 39 TYR C C 175.72 0.05 1 219 39 39 TYR CA C 57.8 0.05 1 220 39 39 TYR CB C 38.73 0.05 1 221 39 39 TYR N N 122.24 0.05 1 222 40 40 VAL H H 7.91 0.05 1 223 40 40 VAL HA H 3.85 0.05 1 224 40 40 VAL C C 176.3 0.05 1 225 40 40 VAL CA C 62.21 0.05 1 226 40 40 VAL CB C 32.7 0.05 1 227 40 40 VAL N N 123.19 0.05 1 228 41 41 GLY H H 7.87 0.05 1 229 41 41 GLY HA2 H 3.72 0.05 2 230 41 41 GLY C C 174.08 0.05 1 231 41 41 GLY CA C 45.14 0.05 1 232 41 41 GLY N N 111.99 0.05 1 233 42 42 SER H H 8.08 0.05 1 234 42 42 SER HA H 4.23 0.05 1 235 42 42 SER C C 174.93 0.05 1 236 42 42 SER CA C 58.36 0.05 1 237 42 42 SER CB C 63.75 0.05 1 238 42 42 SER N N 115.44 0.05 1 239 43 43 LYS H H 8.31 0.05 1 240 43 43 LYS HA H 4.21 0.05 1 241 43 43 LYS C C 176.99 0.05 1 242 43 43 LYS CA C 56.36 0.05 1 243 43 43 LYS CB C 32.92 0.05 1 244 43 43 LYS N N 123.24 0.05 1 245 44 44 THR H H 8.01 0.05 1 246 44 44 THR HA H 4.1 0.05 1 247 44 44 THR C C 174.69 0.05 1 248 44 44 THR CA C 61.92 0.05 1 249 44 44 THR CB C 69.77 0.05 1 250 44 44 THR N N 115.22 0.05 1 251 45 45 ARG H H 8.26 0.05 1 252 45 45 ARG HA H 4.6 0.05 1 253 45 45 ARG C C 176.32 0.05 1 254 45 45 ARG CA C 56.16 0.05 1 255 45 45 ARG CB C 30.64 0.05 1 256 45 45 ARG N N 123.23 0.05 1 257 46 46 GLU H H 8.3 0.05 1 258 46 46 GLU HA H 4.05 0.05 1 259 46 46 GLU C C 177.12 0.05 1 260 46 46 GLU CA C 56.65 0.05 1 261 46 46 GLU CB C 30.21 0.05 1 262 46 46 GLU N N 121.98 0.05 1 263 47 47 GLY H H 8.29 0.05 1 264 47 47 GLY HA2 H 3.74 0.05 2 265 47 47 GLY C C 174.02 0.05 1 266 47 47 GLY CA C 45.22 0.05 1 267 47 47 GLY N N 109.93 0.05 1 268 48 48 VAL H H 7.76 0.05 1 269 48 48 VAL HA H 3.91 0.05 1 270 48 48 VAL C C 176.43 0.05 1 271 48 48 VAL CA C 62.31 0.05 1 272 48 48 VAL CB C 32.68 0.05 1 273 48 48 VAL N N 119.76 0.05 1 274 49 49 VAL H H 8.2 0.05 1 275 49 49 VAL HA H 3.88 0.05 1 276 49 49 VAL C C 176.19 0.05 1 277 49 49 VAL CA C 62.34 0.05 1 278 49 49 VAL CB C 32.67 0.05 1 279 49 49 VAL N N 125.41 0.05 1 280 50 50 GLN H H 8.42 0.05 1 281 50 50 GLN HA H 4.11 0.05 1 282 50 50 GLN C C 176.44 0.05 1 283 50 50 GLN CA C 55.76 0.05 1 284 50 50 GLN CB C 29.44 0.05 1 285 50 50 GLN N N 125.2 0.05 1 286 51 51 GLY H H 8.32 0.05 1 287 51 51 GLY HA2 H 3.76 0.05 2 288 51 51 GLY C C 174 0.05 1 289 51 51 GLY CA C 45.24 0.05 1 290 51 51 GLY N N 110.63 0.05 1 291 52 52 VAL H H 7.88 0.05 1 292 52 52 VAL HA H 3.91 0.05 1 293 52 52 VAL C C 176.18 0.05 1 294 52 52 VAL CA C 62.16 0.05 1 295 52 52 VAL CB C 32.77 0.05 1 296 52 52 VAL N N 119.41 0.05 1 297 53 53 ALA H H 8.31 0.05 1 298 53 53 ALA HA H 4.14 0.05 1 299 53 53 ALA C C 177.91 0.05 1 300 53 53 ALA CA C 52.41 0.05 1 301 53 53 ALA CB C 19.13 0.05 1 302 53 53 ALA N N 127.94 0.05 1 303 54 54 SER H H 8.18 0.05 1 304 54 54 SER HA H 4.24 0.05 1 305 54 54 SER C C 174.81 0.05 1 306 54 54 SER CA C 58.04 0.05 1 307 54 54 SER CB C 63.75 0.05 1 308 54 54 SER N N 115.78 0.05 1 309 55 55 VAL H H 8.07 0.05 1 310 55 55 VAL HA H 3.89 0.05 1 311 55 55 VAL C C 176.34 0.05 1 312 55 55 VAL CA C 62.62 0.05 1 313 55 55 VAL CB C 32.62 0.05 1 314 55 55 VAL N N 121.93 0.05 1 315 56 56 ALA H H 8.19 0.05 1 316 56 56 ALA HA H 4.07 0.05 1 317 56 56 ALA C C 178.21 0.05 1 318 56 56 ALA CA C 52.77 0.05 1 319 56 56 ALA CB C 19.02 0.05 1 320 56 56 ALA N N 127.12 0.05 1 321 57 57 GLU H H 8.16 0.05 1 322 57 57 GLU HA H 4.08 0.05 1 323 57 57 GLU C C 177.08 0.05 1 324 57 57 GLU CA C 56.52 0.05 1 325 57 57 GLU CB C 30.34 0.05 1 326 57 57 GLU N N 120.51 0.05 1 327 58 58 LYS H H 8.23 0.05 1 328 58 58 LYS HA H 4.14 0.05 1 329 58 58 LYS C C 177.38 0.05 1 330 58 58 LYS CA C 56.59 0.05 1 331 58 58 LYS CB C 32.78 0.05 1 332 58 58 LYS N N 122.4 0.05 1 333 59 59 THR H H 8.03 0.05 1 334 59 59 THR HA H 4.05 0.05 1 335 59 59 THR C C 175.04 0.05 1 336 59 59 THR CA C 62.47 0.05 1 337 59 59 THR CB C 69.71 0.05 1 338 59 59 THR N N 115.45 0.05 1 339 60 60 LYS H H 8.18 0.05 1 340 60 60 LYS HA H 4.08 0.05 1 341 60 60 LYS C C 177.26 0.05 1 342 60 60 LYS CA C 56.92 0.05 1 343 60 60 LYS CB C 32.72 0.05 1 344 60 60 LYS N N 123.33 0.05 1 345 61 61 GLU H H 8.25 0.05 1 346 61 61 GLU HA H 4.01 0.05 1 347 61 61 GLU C C 177.14 0.05 1 348 61 61 GLU CA C 57.3 0.05 1 349 61 61 GLU CB C 30.02 0.05 1 350 61 61 GLU N N 121.7 0.05 1 351 62 62 GLN H H 8.19 0.05 1 352 62 62 GLN HA H 4.04 0.05 1 353 62 62 GLN C C 176.34 0.05 1 354 62 62 GLN CA C 56.12 0.05 1 355 62 62 GLN CB C 29.38 0.05 1 356 62 62 GLN N N 121.09 0.05 1 357 63 63 ALA H H 8.16 0.05 1 358 63 63 ALA HA H 4.08 0.05 1 359 63 63 ALA C C 178.17 0.05 1 360 63 63 ALA CA C 52.77 0.05 1 361 63 63 ALA CB C 19.03 0.05 1 362 63 63 ALA N N 124.54 0.05 1 363 64 64 SER H H 8.06 0.05 1 364 64 64 SER HA H 4.16 0.05 1 365 64 64 SER C C 174.68 0.05 1 366 64 64 SER CA C 58.57 0.05 1 367 64 64 SER CB C 63.65 0.05 1 368 64 64 SER N N 114.47 0.05 1 369 65 65 HIS H H 8.16 0.05 1 370 65 65 HIS C C 175.06 0.05 1 371 65 65 HIS CA C 55.98 0.05 1 372 65 65 HIS CB C 29.6 0.05 1 373 65 65 HIS N N 120.46 0.05 1 374 66 66 LEU H H 8.04 0.05 1 375 66 66 LEU HA H 4.08 0.05 1 376 66 66 LEU C C 178.04 0.05 1 377 66 66 LEU CA C 55.27 0.05 1 378 66 66 LEU CB C 42.1 0.05 1 379 66 66 LEU N N 122.97 0.05 1 380 67 67 GLY H H 8.26 0.05 1 381 67 67 GLY HA2 H 3.75 0.05 2 382 67 67 GLY C C 174.75 0.05 1 383 67 67 GLY CA C 45.25 0.05 1 384 67 67 GLY N N 109.55 0.05 1 385 68 68 GLY H H 8.09 0.05 1 386 68 68 GLY HA2 H 3.75 0.05 2 387 68 68 GLY C C 173.93 0.05 1 388 68 68 GLY CA C 44.99 0.05 1 389 68 68 GLY N N 108.54 0.05 1 390 69 69 ALA H H 8.01 0.05 1 391 69 69 ALA HA H 4.11 0.05 1 392 69 69 ALA C C 177.76 0.05 1 393 69 69 ALA CA C 52.34 0.05 1 394 69 69 ALA CB C 19.31 0.05 1 395 69 69 ALA N N 123.67 0.05 1 396 70 70 VAL H H 7.92 0.05 1 397 70 70 VAL HA H 3.83 0.05 1 398 70 70 VAL C C 176.05 0.05 1 399 70 70 VAL CA C 62.2 0.05 1 400 70 70 VAL CB C 32.75 0.05 1 401 70 70 VAL N N 119.24 0.05 1 402 71 71 PHE H H 8.25 0.05 1 403 71 71 PHE HA H 4.48 0.05 1 404 71 71 PHE C C 175.83 0.05 1 405 71 71 PHE CA C 57.56 0.05 1 406 71 71 PHE CB C 39.67 0.05 1 407 71 71 PHE N N 124.4 0.05 1 408 72 72 SER H H 8.17 0.05 1 409 72 72 SER HA H 4.2 0.05 1 410 72 72 SER C C 174.81 0.05 1 411 72 72 SER CA C 57.95 0.05 1 412 72 72 SER CB C 63.76 0.05 1 413 72 72 SER N N 118.5 0.05 1 414 73 73 GLY H H 7.68 0.05 1 415 73 73 GLY HA2 H 3.71 0.05 2 416 73 73 GLY C C 173.93 0.05 1 417 73 73 GLY CA C 45.27 0.05 1 418 73 73 GLY N N 110.49 0.05 1 419 74 74 ALA H H 8.05 0.05 1 420 74 74 ALA HA H 4.11 0.05 1 421 74 74 ALA C C 178.45 0.05 1 422 74 74 ALA CA C 52.65 0.05 1 423 74 74 ALA CB C 19.13 0.05 1 424 74 74 ALA N N 123.54 0.05 1 425 75 75 GLY H H 8.27 0.05 1 426 75 75 GLY HA2 H 3.71 0.05 2 427 75 75 GLY C C 174 0.05 1 428 75 75 GLY CA C 45.23 0.05 1 429 75 75 GLY N N 107.66 0.05 1 430 76 76 ASN H H 8.08 0.05 1 431 76 76 ASN HA H 4.5 0.05 1 432 76 76 ASN C C 175.4 0.05 1 433 76 76 ASN CA C 53.03 0.05 1 434 76 76 ASN CB C 38.91 0.05 1 435 76 76 ASN N N 118.48 0.05 1 436 77 77 ILE H H 7.95 0.05 1 437 77 77 ILE HA H 3.92 0.05 1 438 77 77 ILE C C 176.28 0.05 1 439 77 77 ILE CA C 61.28 0.05 1 440 77 77 ILE CB C 38.6 0.05 1 441 77 77 ILE N N 121.41 0.05 1 442 78 78 ALA H H 8.21 0.05 1 443 78 78 ALA HA H 4.06 0.05 1 444 78 78 ALA C C 177.69 0.05 1 445 78 78 ALA CA C 52.46 0.05 1 446 78 78 ALA CB C 18.93 0.05 1 447 78 78 ALA N N 127.94 0.05 1 448 79 79 ALA H H 8.03 0.05 1 449 79 79 ALA HA H 4.05 0.05 1 450 79 79 ALA C C 177.9 0.05 1 451 79 79 ALA CA C 52.36 0.05 1 452 79 79 ALA CB C 19.03 0.05 1 453 79 79 ALA N N 123.19 0.05 1 454 80 80 ALA H H 8.13 0.05 1 455 80 80 ALA HA H 4.15 0.05 1 456 80 80 ALA C C 178.29 0.05 1 457 80 80 ALA CA C 52.51 0.05 1 458 80 80 ALA CB C 19.01 0.05 1 459 80 80 ALA N N 123.19 0.05 1 460 81 81 THR H H 7.91 0.05 1 461 81 81 THR HA H 4.11 0.05 1 462 81 81 THR C C 175.34 0.05 1 463 81 81 THR CA C 61.94 0.05 1 464 81 81 THR CB C 69.81 0.05 1 465 81 81 THR N N 112.35 0.05 1 466 82 82 GLY H H 8.18 0.05 1 467 82 82 GLY HA2 H 3.74 0.05 2 468 82 82 GLY C C 173.99 0.05 1 469 82 82 GLY CA C 45.26 0.05 1 470 82 82 GLY N N 110.6 0.05 1 471 83 83 LEU H H 7.89 0.05 1 472 83 83 LEU HA H 4.15 0.05 1 473 83 83 LEU C C 177.41 0.05 1 474 83 83 LEU CA C 55.08 0.05 1 475 83 83 LEU CB C 42.4 0.05 1 476 83 83 LEU N N 121.45 0.05 1 477 84 84 VAL H H 7.98 0.05 1 478 84 84 VAL HA H 3.86 0.05 1 479 84 84 VAL C C 175.97 0.05 1 480 84 84 VAL CA C 62.18 0.05 1 481 84 84 VAL CB C 32.87 0.05 1 482 84 84 VAL N N 122.06 0.05 1 483 85 85 LYS H H 8.31 0.05 1 484 85 85 LYS HA H 4.1 0.05 1 485 85 85 LYS C C 176.28 0.05 1 486 85 85 LYS CA C 56.06 0.05 1 487 85 85 LYS CB C 32.95 0.05 1 488 85 85 LYS N N 126.62 0.05 1 489 86 86 ARG H H 8.33 0.05 1 490 86 86 ARG HA H 4.37 0.05 1 491 86 86 ARG C C 176.19 0.05 1 492 86 86 ARG CA C 56.1 0.05 1 493 86 86 ARG CB C 30.81 0.05 1 494 86 86 ARG N N 124.16 0.05 1 495 87 87 GLU H H 8.41 0.05 1 496 87 87 GLU HA H 4.02 0.05 1 497 87 87 GLU C C 175.99 0.05 1 498 87 87 GLU CA C 56.33 0.05 1 499 87 87 GLU CB C 30.3 0.05 1 500 87 87 GLU N N 122.85 0.05 1 501 88 88 GLU H H 8.2 0.05 1 502 88 88 GLU HA H 3.97 0.05 1 503 88 88 GLU C C 175.8 0.05 1 504 88 88 GLU CA C 56.22 0.05 1 505 88 88 GLU CB C 30.46 0.05 1 506 88 88 GLU N N 122.11 0.05 1 507 89 89 PHE H H 8.15 0.05 1 508 89 89 PHE HA H 4.7 0.05 1 509 89 89 PHE C C 173.89 0.05 1 510 89 89 PHE CA C 55.34 0.05 1 511 89 89 PHE CB C 39.13 0.05 1 512 89 89 PHE N N 121.16 0.05 1 513 90 90 PRO C C 177.32 0.05 1 514 90 90 PRO CA C 63.22 0.05 1 515 90 90 PRO CB C 32.16 0.05 1 516 91 91 THR H H 8.12 0.05 1 517 91 91 THR HA H 4.13 0.05 1 518 91 91 THR C C 174.41 0.05 1 519 91 91 THR CA C 61.79 0.05 1 520 91 91 THR CB C 69.78 0.05 1 521 91 91 THR N N 113.93 0.05 1 522 92 92 ASP H H 8.19 0.05 1 523 92 92 ASP HA H 4.41 0.05 1 524 92 92 ASP C C 175.93 0.05 1 525 92 92 ASP CA C 54.23 0.05 1 526 92 92 ASP CB C 40.98 0.05 1 527 92 92 ASP N N 122.24 0.05 1 528 93 93 LEU H H 7.94 0.05 1 529 93 93 LEU HA H 4.13 0.05 1 530 93 93 LEU C C 177.19 0.05 1 531 93 93 LEU CA C 54.75 0.05 1 532 93 93 LEU CB C 42.38 0.05 1 533 93 93 LEU N N 122.32 0.05 1 534 94 94 LYS H H 8.32 0.05 1 535 94 94 LYS HA H 4.38 0.05 1 536 94 94 LYS C C 174.64 0.05 1 537 94 94 LYS CA C 54.22 0.05 1 538 94 94 LYS CB C 32.4 0.05 1 539 94 94 LYS N N 124.34 0.05 1 540 95 95 PRO C C 177.33 0.05 1 541 95 95 PRO CA C 63.35 0.05 1 542 95 95 PRO CB C 32.05 0.05 1 543 96 96 GLU H H 8.54 0.05 1 544 96 96 GLU HA H 4.01 0.05 1 545 96 96 GLU C C 176.79 0.05 1 546 96 96 GLU CA C 56.66 0.05 1 547 96 96 GLU CB C 29.97 0.05 1 548 96 96 GLU N N 120.4 0.05 1 549 97 97 GLU H H 8.21 0.05 1 550 97 97 GLU HA H 4.12 0.05 1 551 97 97 GLU C C 176.45 0.05 1 552 97 97 GLU CA C 56.25 0.05 1 553 97 97 GLU CB C 30.39 0.05 1 554 97 97 GLU N N 122.2 0.05 1 555 98 98 VAL H H 7.99 0.05 1 556 98 98 VAL HA H 3.86 0.05 1 557 98 98 VAL C C 175.99 0.05 1 558 98 98 VAL CA C 62.16 0.05 1 559 98 98 VAL CB C 32.73 0.05 1 560 98 98 VAL N N 121.92 0.05 1 561 99 99 ALA H H 8.29 0.05 1 562 99 99 ALA HA H 4.07 0.05 1 563 99 99 ALA C C 177.79 0.05 1 564 99 99 ALA CA C 52.37 0.05 1 565 99 99 ALA CB C 19.03 0.05 1 566 99 99 ALA N N 128.34 0.05 1 567 100 100 GLN H H 8.26 0.05 1 568 100 100 GLN HA H 4.08 0.05 1 569 100 100 GLN C C 176.18 0.05 1 570 100 100 GLN CA C 55.61 0.05 1 571 100 100 GLN CB C 29.58 0.05 1 572 100 100 GLN N N 120.44 0.05 1 573 101 101 GLU H H 8.35 0.05 1 574 101 101 GLU HA H 4.04 0.05 1 575 101 101 GLU C C 176.23 0.05 1 576 101 101 GLU CA C 56.21 0.05 1 577 101 101 GLU CB C 30.3 0.05 1 578 101 101 GLU N N 122.77 0.05 1 579 102 102 ALA H H 8.26 0.05 1 580 102 102 ALA HA H 4.09 0.05 1 581 102 102 ALA C C 177.39 0.05 1 582 102 102 ALA CA C 52.12 0.05 1 583 102 102 ALA CB C 19.19 0.05 1 584 102 102 ALA N N 125.68 0.05 1 585 103 103 ALA H H 8.17 0.05 1 586 103 103 ALA HA H 4.09 0.05 1 587 103 103 ALA C C 177.75 0.05 1 588 103 103 ALA CA C 52.06 0.05 1 589 103 103 ALA CB C 19.43 0.05 1 590 103 103 ALA N N 124.08 0.05 1 591 104 104 GLU H H 8.23 0.05 1 592 104 104 GLU HA H 4.06 0.05 1 593 104 104 GLU C C 176.35 0.05 1 594 104 104 GLU CA C 56.06 0.05 1 595 104 104 GLU CB C 30.45 0.05 1 596 104 104 GLU N N 120.66 0.05 1 597 105 105 GLU H H 8.33 0.05 1 598 105 105 GLU HA H 4.06 0.05 1 599 105 105 GLU C C 174.57 0.05 1 600 105 105 GLU CA C 54.24 0.05 1 601 105 105 GLU CB C 30.16 0.05 1 602 105 105 GLU N N 124.03 0.05 1 603 106 106 PRO C C 176.63 0.05 1 604 106 106 PRO CA C 62.86 0.05 1 605 106 106 PRO CB C 32.12 0.05 1 606 107 107 LEU H H 8.22 0.05 1 607 107 107 LEU HA H 4.1 0.05 1 608 107 107 LEU C C 177.26 0.05 1 609 107 107 LEU CA C 54.84 0.05 1 610 107 107 LEU CB C 42.13 0.05 1 611 107 107 LEU N N 123.07 0.05 1 612 108 108 ILE H H 8.1 0.05 1 613 108 108 ILE HA H 3.97 0.05 1 614 108 108 ILE C C 176.06 0.05 1 615 108 108 ILE CA C 60.43 0.05 1 616 108 108 ILE CB C 38.59 0.05 1 617 108 108 ILE N N 123.68 0.05 1 618 109 109 GLU H H 8.33 0.05 1 619 109 109 GLU HA H 4.36 0.05 1 620 109 109 GLU C C 174.32 0.05 1 621 109 109 GLU CA C 54.16 0.05 1 622 109 109 GLU CB C 29.8 0.05 1 623 109 109 GLU N N 127.33 0.05 1 624 110 110 PRO C C 176.72 0.05 1 625 110 110 PRO CA C 62.83 0.05 1 626 110 110 PRO CB C 32.16 0.05 1 627 111 111 LEU H H 8.19 0.05 1 628 111 111 LEU HA H 4.12 0.05 1 629 111 111 LEU C C 177.44 0.05 1 630 111 111 LEU CA C 54.89 0.05 1 631 111 111 LEU CB C 42.2 0.05 1 632 111 111 LEU N N 122.59 0.05 1 633 112 112 MET H H 8.27 0.05 1 634 112 112 MET HA H 4.3 0.05 1 635 112 112 MET C C 175.97 0.05 1 636 112 112 MET CA C 54.64 0.05 1 637 112 112 MET CB C 33.01 0.05 1 638 112 112 MET N N 122.39 0.05 1 639 113 113 GLU H H 8.31 0.05 1 640 113 113 GLU HA H 4.37 0.05 1 641 113 113 GLU C C 174.55 0.05 1 642 113 113 GLU CA C 54.19 0.05 1 643 113 113 GLU CB C 29.64 0.05 1 644 113 113 GLU N N 124.05 0.05 1 645 114 114 PRO C C 177.06 0.05 1 646 114 114 PRO CA C 63.08 0.05 1 647 114 114 PRO CB C 32.13 0.05 1 648 115 115 GLU H H 8.43 0.05 1 649 115 115 GLU HA H 4.06 0.05 1 650 115 115 GLU C C 177.17 0.05 1 651 115 115 GLU CA C 56.55 0.05 1 652 115 115 GLU CB C 30.39 0.05 1 653 115 115 GLU N N 121.6 0.05 1 654 116 116 GLY H H 8.28 0.05 1 655 116 116 GLY HA2 H 3.75 0.05 2 656 116 116 GLY C C 173.98 0.05 1 657 116 116 GLY CA C 45.05 0.05 1 658 116 116 GLY N N 110.1 0.05 1 659 117 117 GLU H H 8.16 0.05 1 660 117 117 GLU HA H 4.05 0.05 1 661 117 117 GLU C C 176.44 0.05 1 662 117 117 GLU CA C 56.31 0.05 1 663 117 117 GLU CB C 30.47 0.05 1 664 117 117 GLU N N 120.42 0.05 1 665 118 118 SER H H 8.22 0.05 1 666 118 118 SER HA H 4.23 0.05 1 667 118 118 SER C C 174.02 0.05 1 668 118 118 SER CA C 57.8 0.05 1 669 118 118 SER CB C 63.81 0.05 1 670 118 118 SER N N 116.99 0.05 1 671 119 119 TYR H H 8.17 0.05 1 672 119 119 TYR HA H 4.38 0.05 1 673 119 119 TYR C C 175.48 0.05 1 674 119 119 TYR CA C 57.76 0.05 1 675 119 119 TYR CB C 39.07 0.05 1 676 119 119 TYR N N 122.88 0.05 1 677 120 120 GLU H H 7.97 0.05 1 678 120 120 GLU HA H 4.07 0.05 1 679 120 120 GLU C C 175.5 0.05 1 680 120 120 GLU CA C 55.62 0.05 1 681 120 120 GLU CB C 31.01 0.05 1 682 120 120 GLU N N 123.06 0.05 1 683 121 121 ASP H H 8.27 0.05 1 684 121 121 ASP HA H 4.11 0.05 1 685 121 121 ASP C C 173.8 0.05 1 686 121 121 ASP CA C 52.74 0.05 1 687 121 121 ASP CB C 40.38 0.05 1 688 121 121 ASP N N 123.46 0.05 1 689 123 123 PRO C C 177.01 0.05 1 690 123 123 PRO CA C 62.75 0.05 1 691 123 123 PRO CB C 32.07 0.05 1 692 124 124 GLN H H 8.38 0.05 1 693 124 124 GLN HA H 4.08 0.05 1 694 124 124 GLN C C 176.16 0.05 1 695 124 124 GLN CA C 55.48 0.05 1 696 124 124 GLN CB C 29.62 0.05 1 697 124 124 GLN N N 121.12 0.05 1 698 125 125 GLU H H 8.37 0.05 1 699 125 125 GLU HA H 4.04 0.05 1 700 125 125 GLU C C 176.26 0.05 1 701 125 125 GLU CA C 56.13 0.05 1 702 125 125 GLU CB C 30.44 0.05 1 703 125 125 GLU N N 122.94 0.05 1 704 126 126 GLU H H 8.33 0.05 1 705 126 126 GLU HA H 4.04 0.05 1 706 126 126 GLU C C 176.06 0.05 1 707 126 126 GLU CA C 56.39 0.05 1 708 126 126 GLU CB C 30.44 0.05 1 709 126 126 GLU N N 122.39 0.05 1 710 127 127 TYR H H 8.22 0.05 1 711 127 127 TYR C C 175.42 0.05 1 712 127 127 TYR CA C 57.93 0.05 1 713 127 127 TYR CB C 38.79 0.05 1 714 127 127 TYR N N 122.46 0.05 1 715 128 128 GLN H H 7.98 0.05 1 716 128 128 GLN HA H 4.05 0.05 1 717 128 128 GLN C C 174.89 0.05 1 718 128 128 GLN CA C 54.82 0.05 1 719 128 128 GLN CB C 29.98 0.05 1 720 128 128 GLN N N 123.69 0.05 1 721 129 129 GLU H H 8.19 0.05 1 722 129 129 GLU HA H 3.94 0.05 1 723 129 129 GLU C C 175.93 0.05 1 724 129 129 GLU CA C 56.18 0.05 1 725 129 129 GLU CB C 30.35 0.05 1 726 129 129 GLU N N 122.91 0.05 1 727 130 130 TYR H H 8.11 0.05 1 728 130 130 TYR HA H 4.36 0.05 1 729 130 130 TYR C C 175.18 0.05 1 730 130 130 TYR CA C 57.53 0.05 1 731 130 130 TYR CB C 39.15 0.05 1 732 130 130 TYR N N 121.9 0.05 1 733 131 131 GLU H H 8.14 0.05 1 734 131 131 GLU HA H 4.33 0.05 1 735 131 131 GLU C C 173.78 0.05 1 736 131 131 GLU CA C 53.47 0.05 1 737 131 131 GLU CB C 30.21 0.05 1 738 131 131 GLU N N 125.47 0.05 1 739 132 132 PRO C C 176.98 0.05 1 740 132 132 PRO CA C 62.88 0.05 1 741 132 132 PRO CB C 32.2 0.05 1 742 133 133 GLU H H 8.36 0.05 1 743 133 133 GLU HA H 4 0.05 1 744 133 133 GLU C C 175.54 0.05 1 745 133 133 GLU CA C 56.47 0.05 1 746 133 133 GLU CB C 30.29 0.05 1 747 133 133 GLU N N 121.51 0.05 1 748 134 134 ALA H H 7.84 0.05 1 749 134 134 ALA HA H 3.89 0.05 1 750 134 134 ALA C C 173.99 0.05 1 751 134 134 ALA CA C 53.79 0.05 1 752 134 134 ALA CB C 20.08 0.05 1 753 134 134 ALA N N 130.8 0.05 1 stop_ save_