data_5744 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignments of folded alpha-synuclein ; _BMRB_accession_number 5744 _BMRB_flat_file_name bmr5744.str _Entry_type original _Submission_date 2003-03-17 _Accession_date 2003-03-18 _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 Chandra Sreeganga . . 2 Chen Xiaocheng . . 3 Rizo Josep . . 4 Jahn Reinhard . . 5 Sudhof Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 292 "13C chemical shifts" 262 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-22 original author . stop_ _Original_release_date 2003-05-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Broken Alpha-helix in Folded Alpha-synuclein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22590450 _PubMed_ID 12586824 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chandra Sreeganga . . 2 Chen Xiaocheng . . 3 Rizo Josep . . 4 Jahn Reinhard . . 5 Sudhof Thomas . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 278 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15313 _Page_last 15318 _Year 2003 _Details . loop_ _Keyword Parkinson aggregation stop_ save_ ################################## # Molecular system description # ################################## save_system_alpha-synuclein _Saveframe_category molecular_system _Mol_system_name 'human alpha-synuclein' _Abbreviation_common alpha-synuclein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human alpha-synuclein, alpha-synuclein' $alpha-synuclein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_alpha-synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha-synuclein _Abbreviation_common alpha-synuclein _Molecular_mass 14463 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA ; 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 LYS 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 ALA 28 GLU 29 ALA 30 ALA 31 GLY 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 LYS 46 GLU 47 GLY 48 VAL 49 VAL 50 HIS 51 GLY 52 VAL 53 ALA 54 THR 55 VAL 56 ALA 57 GLU 58 LYS 59 THR 60 LYS 61 GLU 62 GLN 63 VAL 64 THR 65 ASN 66 VAL 67 GLY 68 GLY 69 ALA 70 VAL 71 VAL 72 THR 73 GLY 74 VAL 75 THR 76 ALA 77 VAL 78 ALA 79 GLN 80 LYS 81 THR 82 VAL 83 GLU 84 GLY 85 ALA 86 GLY 87 SER 88 ILE 89 ALA 90 ALA 91 ALA 92 THR 93 GLY 94 PHE 95 VAL 96 LYS 97 LYS 98 ASP 99 GLN 100 LEU 101 GLY 102 LYS 103 ASN 104 GLU 105 GLU 106 GLY 107 ALA 108 PRO 109 GLN 110 GLU 111 GLY 112 ILE 113 LEU 114 GLU 115 ASP 116 MET 117 PRO 118 VAL 119 ASP 120 PRO 121 ASP 122 ASN 123 GLU 124 ALA 125 TYR 126 GLU 127 MET 128 PRO 129 SER 130 GLU 131 GLU 132 GLY 133 TYR 134 GLN 135 ASP 136 TYR 137 GLU 138 PRO 139 GLU 140 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 16300 alpha-synuclein 100.00 140 100.00 100.00 8.09e-90 BMRB 16302 alpha-synuclein 100.00 140 100.00 100.00 8.09e-90 BMRB 16342 human_a-synuclein 100.00 140 100.00 100.00 8.09e-90 BMRB 16543 "monomer alpha-synuclein" 100.00 140 100.00 100.00 8.09e-90 BMRB 16546 A30P_alpha-synuclein 100.00 140 99.29 99.29 7.10e-89 BMRB 16547 E46K_alpha-synuclein 100.00 140 99.29 100.00 3.42e-89 BMRB 16548 A53T_alpha-synuclein 100.00 140 99.29 99.29 2.84e-89 BMRB 16904 alpha-synuclein 100.00 140 100.00 100.00 8.09e-90 BMRB 16939 WT_alpha-synuclein_fibrils 100.00 140 99.29 99.29 1.44e-88 BMRB 17214 A30P_alpha-synuclein 100.00 140 99.29 99.29 7.10e-89 BMRB 17498 alpha-synuclein 100.00 140 100.00 100.00 8.09e-90 BMRB 17648 A30P_alpha-synuclein 100.00 140 98.57 98.57 1.54e-87 BMRB 17649 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 5.24e-88 BMRB 17654 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 6.10e-88 BMRB 17665 aSyn 100.00 150 100.00 100.00 3.62e-89 BMRB 17910 wild-type_alpha-synuclein_formed_in_phospholipid_vesicles 100.00 140 99.29 99.29 1.44e-88 BMRB 18207 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 5.24e-88 BMRB 18208 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 6.10e-88 BMRB 18243 alpha-synuclein_fibrils 100.00 140 99.29 99.29 1.44e-88 BMRB 18857 alpha_synuclein 100.00 140 100.00 100.00 8.09e-90 BMRB 18860 a-synuclein 100.00 140 100.00 100.00 8.09e-90 BMRB 19257 Alpha-synuclein 100.00 140 100.00 100.00 8.09e-90 BMRB 19337 aSyn 100.00 140 100.00 100.00 8.09e-90 BMRB 19338 aSyn_A53T 100.00 140 99.29 99.29 2.84e-89 BMRB 19344 aSyn_S87N 100.00 140 99.29 100.00 3.10e-89 BMRB 19345 aSyn_A53T&S87N 100.00 140 98.57 99.29 1.38e-88 BMRB 19350 acet_aSyn 100.00 140 100.00 100.00 8.09e-90 BMRB 19351 acet_aSyn_A53T 100.00 140 99.29 99.29 2.84e-89 BMRB 6968 naturally_unfolded_alpha-synuclein 100.00 140 100.00 100.00 8.09e-90 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 100.00 100.00 8.09e-90 PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 100.00 140 100.00 100.00 8.09e-90 DBJ BAB29375 "unnamed protein product [Mus musculus]" 72.86 122 97.06 99.02 1.82e-56 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 DBJ BAG73790 "synuclein, alpha [synthetic construct]" 100.00 140 100.00 100.00 8.09e-90 EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 GB AAA16117 "AD amyloid [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 GB AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 98.57 98.57 4.03e-88 GB AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 GB AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 GB AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 100.00 140 100.00 100.00 8.09e-90 REF NP_001032222 "alpha-synuclein [Sus scrofa]" 100.00 140 97.86 97.86 1.13e-86 REF NP_001129014 "alpha-synuclein [Pongo abelii]" 100.00 140 99.29 99.29 1.35e-88 REF NP_001139526 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 8.09e-90 SP P37840 "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" 100.00 140 100.00 100.00 8.09e-90 SP P61139 "RecName: Full=Alpha-synuclein [Erythrocebus patas]" 100.00 140 99.29 100.00 1.70e-89 SP P61140 "RecName: Full=Alpha-synuclein [Gorilla gorilla gorilla]" 100.00 140 100.00 100.00 8.09e-90 SP P61142 "RecName: Full=Alpha-synuclein [Macaca fascicularis]" 100.00 140 98.57 100.00 2.36e-89 SP P61143 "RecName: Full=Alpha-synuclein [Macaca mulatta]" 100.00 140 98.57 100.00 2.36e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $alpha-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 $alpha-synuclein 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelles _Details 'SDS micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alpha-synuclein 0.3 mM '[U-15N; U-13C]' SDS 50 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N _Sample_label . save_ save_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label . save_ save_TOCSY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 na temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H-15N NOESY-HSQC TOCSY-HSQC HNCO HNCACB CBCA(CO)NH stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'human alpha-synuclein, alpha-synuclein' _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 . 1 MET H H 8.212 0.03 1 2 . 1 MET CA C 57.028 0.12 1 3 . 1 MET HA H 4.560 0.03 1 4 . 1 MET CB C 32.136 0.12 1 5 . 2 ASP N N 119.074 0.15 1 6 . 2 ASP H H 8.655 0.03 1 7 . 2 ASP CA C 57.164 0.12 1 8 . 2 ASP HA H 4.350 0.03 1 9 . 2 ASP CB C 40.205 0.12 1 10 . 3 VAL N N 119.104 0.15 1 11 . 3 VAL H H 7.858 0.03 1 12 . 3 VAL CA C 65.777 0.12 1 13 . 3 VAL HA H 3.754 0.03 1 14 . 3 VAL CB C 32.136 0.12 1 15 . 4 PHE N N 119.552 0.15 1 16 . 4 PHE H H 7.554 0.03 1 17 . 4 PHE CA C 60.997 0.12 1 18 . 4 PHE HA H 4.340 0.03 1 19 . 4 PHE CB C 39.586 0.12 1 20 . 5 MET N N 116.685 0.15 1 21 . 5 MET H H 8.215 0.03 1 22 . 5 MET CA C 57.873 0.12 1 23 . 5 MET HA H 4.330 0.03 1 24 . 5 MET CB C 31.754 0.12 1 25 . 6 LYS N N 120.560 0.15 1 26 . 6 LYS H H 8.038 0.03 1 27 . 6 LYS CA C 59.494 0.12 1 28 . 6 LYS HA H 4.120 0.03 1 29 . 6 LYS CB C 32.498 0.12 1 30 . 7 GLY N N 107.905 0.15 1 31 . 7 GLY H H 8.255 0.03 1 32 . 7 GLY CA C 47.432 0.12 1 33 . 7 GLY HA2 H 3.720 0.03 2 34 . 7 GLY HA3 H 3.900 0.03 2 35 . 8 LEU N N 121.817 0.15 1 36 . 8 LEU H H 8.353 0.03 1 37 . 8 LEU CA C 58.200 0.12 1 38 . 8 LEU HA H 4.023 0.03 1 39 . 8 LEU CB C 41.716 0.12 1 40 . 9 SER N N 113.290 0.15 1 41 . 9 SER H H 8.074 0.03 1 42 . 9 SER CA C 62.111 0.12 1 43 . 9 SER HA H 4.165 0.03 1 44 . 9 SER CB C 63.121 0.12 1 45 . 10 LYS N N 121.621 0.15 1 46 . 10 LYS H H 7.773 0.03 1 47 . 10 LYS CA C 58.664 0.12 1 48 . 10 LYS HA H 4.180 0.03 1 49 . 10 LYS CB C 32.526 0.12 1 50 . 11 ALA N N 122.202 0.15 1 51 . 11 ALA H H 8.313 0.03 1 52 . 11 ALA CA C 55.333 0.12 1 53 . 11 ALA HA H 4.121 0.03 1 54 . 11 ALA CB C 18.822 0.12 1 55 . 12 LYS N N 117.188 0.15 1 56 . 12 LYS H H 8.327 0.03 1 57 . 12 LYS CA C 60.652 0.12 1 58 . 12 LYS HA H 3.840 0.03 1 59 . 12 LYS CB C 32.644 0.12 1 60 . 13 GLU N N 116.807 0.15 1 61 . 13 GLU H H 7.961 0.03 1 62 . 13 GLU CA C 59.633 0.12 1 63 . 13 GLU HA H 4.010 0.03 1 64 . 13 GLU CB C 29.957 0.12 1 65 . 14 GLY N N 107.807 0.15 1 66 . 14 GLY H H 8.265 0.03 1 67 . 14 GLY CA C 47.404 0.12 1 68 . 14 GLY HA2 H 3.770 0.03 2 69 . 14 GLY HA3 H 4.000 0.03 2 70 . 15 VAL N N 122.030 0.15 1 71 . 15 VAL H H 8.352 0.03 1 72 . 15 VAL CA C 67.000 0.12 1 73 . 15 VAL HA H 3.740 0.03 1 74 . 15 VAL CB C 31.918 0.12 1 75 . 16 VAL N N 119.651 0.15 1 76 . 16 VAL H H 8.118 0.03 1 77 . 16 VAL CA C 67.106 0.12 1 78 . 16 VAL HA H 3.642 0.03 1 79 . 16 VAL CB C 32.169 0.12 1 80 . 17 ALA N N 121.520 0.15 1 81 . 17 ALA H H 7.921 0.03 1 82 . 17 ALA CA C 55.192 0.12 1 83 . 17 ALA HA H 4.243 0.03 1 84 . 17 ALA CB C 18.791 0.12 1 85 . 18 ALA N N 121.058 0.15 1 86 . 18 ALA H H 8.166 0.03 1 87 . 18 ALA CA C 55.135 0.12 1 88 . 18 ALA HA H 4.173 0.03 1 89 . 18 ALA CB C 19.000 0.12 1 90 . 19 ALA N N 122.816 0.15 1 91 . 19 ALA H H 8.635 0.03 1 92 . 19 ALA CA C 55.691 0.12 1 93 . 19 ALA HA H 4.038 0.03 1 94 . 19 ALA CB C 18.869 0.12 1 95 . 20 GLU N N 118.058 0.15 1 96 . 20 GLU H H 8.238 0.03 1 97 . 20 GLU CA C 59.640 0.12 1 98 . 20 GLU HA H 4.046 0.03 1 99 . 20 GLU CB C 29.948 0.12 1 100 . 21 LYS N N 118.689 0.15 1 101 . 21 LYS H H 7.979 0.03 1 102 . 21 LYS CA C 59.011 0.12 1 103 . 21 LYS HA H 4.165 0.03 1 104 . 21 LYS CB C 33.102 0.12 1 105 . 22 THR N N 115.124 0.15 1 106 . 22 THR H H 8.093 0.03 1 107 . 22 THR CA C 66.080 0.12 1 108 . 22 THR HA H 4.050 0.03 1 109 . 22 THR CB C 69.224 0.12 1 110 . 23 LYS N N 121.147 0.15 1 111 . 23 LYS H H 8.302 0.03 1 112 . 23 LYS CA C 60.216 0.12 1 113 . 23 LYS HA H 3.940 0.03 1 114 . 23 LYS CB C 32.592 0.12 1 115 . 24 GLN N N 117.334 0.15 1 116 . 24 GLN H H 7.985 0.03 1 117 . 24 GLN CA C 58.384 0.12 1 118 . 24 GLN HA H 4.158 0.03 1 119 . 24 GLN CB C 28.879 0.12 1 120 . 25 GLY N N 108.330 0.15 1 121 . 25 GLY H H 8.219 0.03 1 122 . 25 GLY CA C 46.984 0.12 1 123 . 25 GLY HA2 H 3.900 0.03 2 124 . 25 GLY HA3 H 3.980 0.03 2 125 . 26 VAL N N 121.075 0.15 1 126 . 26 VAL H H 8.303 0.03 1 127 . 26 VAL CA C 66.023 0.12 1 128 . 26 VAL HA H 3.790 0.03 1 129 . 26 VAL CB C 32.158 0.12 1 130 . 27 ALA N N 122.230 0.15 1 131 . 27 ALA H H 8.081 0.03 1 132 . 27 ALA CA C 55.185 0.12 1 133 . 27 ALA HA H 4.121 0.03 1 134 . 27 ALA CB C 18.710 0.12 1 135 . 28 GLU N N 117.705 0.15 1 136 . 28 GLU H H 8.105 0.03 1 137 . 28 GLU CA C 58.509 0.12 1 138 . 28 GLU HA H 4.150 0.03 1 139 . 28 GLU CB C 29.985 0.12 1 140 . 29 ALA N N 122.682 0.15 1 141 . 29 ALA H H 7.987 0.03 1 142 . 29 ALA CA C 54.551 0.12 1 143 . 29 ALA HA H 4.173 0.03 1 144 . 29 ALA CB C 19.167 0.12 1 145 . 30 ALA N N 120.970 0.15 1 146 . 30 ALA H H 8.420 0.03 1 147 . 30 ALA CA C 54.644 0.12 1 148 . 30 ALA HA H 4.150 0.03 1 149 . 30 ALA CB C 19.081 0.12 1 150 . 31 GLY N N 106.057 0.15 1 151 . 31 GLY H H 8.152 0.03 1 152 . 31 GLY CA C 46.701 0.12 1 153 . 31 GLY HA2 H 3.971 0.03 2 154 . 31 GLY HA3 H 4.150 0.03 2 155 . 32 LYS N N 120.244 0.15 1 156 . 32 LYS H H 7.908 0.03 1 157 . 32 LYS CA C 57.477 0.12 1 158 . 32 LYS HA H 4.190 0.03 1 159 . 32 LYS CB C 33.233 0.12 1 160 . 33 THR N N 113.839 0.15 1 161 . 33 THR H H 8.006 0.03 1 162 . 33 THR CA C 64.253 0.12 1 163 . 33 THR HA H 4.250 0.03 1 164 . 33 THR CB C 69.670 0.12 1 165 . 34 LYS N N 121.632 0.15 1 166 . 34 LYS H H 8.180 0.03 1 167 . 34 LYS CA C 58.799 0.12 1 168 . 34 LYS HA H 4.100 0.03 1 169 . 34 LYS CB C 32.850 0.12 1 170 . 35 GLU N N 118.292 0.15 1 171 . 35 GLU H H 8.136 0.03 1 172 . 35 GLU CA C 58.448 0.12 1 173 . 35 GLU HA H 4.098 0.03 1 174 . 35 GLU CB C 30.288 0.12 1 175 . 36 GLY N N 108.737 0.15 1 176 . 36 GLY H H 8.190 0.03 1 177 . 36 GLY CA C 46.604 0.12 1 178 . 36 GLY HA2 H 3.960 0.03 2 179 . 36 GLY HA3 H 3.920 0.03 2 180 . 37 VAL N N 119.424 0.15 1 181 . 37 VAL H H 7.974 0.03 1 182 . 37 VAL CA C 64.376 0.12 1 183 . 37 VAL HA H 3.970 0.03 1 184 . 37 VAL CB C 32.678 0.12 1 185 . 38 LEU N N 122.030 0.15 1 186 . 38 LEU H H 8.099 0.03 1 187 . 38 LEU CA C 56.833 0.12 1 188 . 38 LEU HA H 4.170 0.03 1 189 . 38 LEU CB C 42.585 0.12 1 190 . 39 TYR N N 120.190 0.15 1 191 . 39 TYR H H 8.033 0.03 1 192 . 39 TYR CA C 59.553 0.12 1 193 . 39 TYR HA H 4.520 0.03 1 194 . 39 TYR CB C 39.169 0.12 1 195 . 40 VAL N N 120.130 0.15 1 196 . 40 VAL H H 8.089 0.03 1 197 . 40 VAL CA C 64.100 0.12 1 198 . 40 VAL HA H 3.895 0.03 1 199 . 40 VAL CB C 33.446 0.12 1 200 . 41 GLY N N 109.323 0.15 1 201 . 41 GLY H H 7.829 0.03 1 202 . 41 GLY CA C 46.779 0.12 1 203 . 41 GLY HA2 H 3.874 0.03 1 204 . 41 GLY HA3 H 3.874 0.03 1 205 . 42 SER N N 115.334 0.15 1 206 . 42 SER H H 8.217 0.03 1 207 . 42 SER CA C 60.020 0.12 1 208 . 42 SER HA H 4.370 0.03 1 209 . 42 SER CB C 63.892 0.12 1 210 . 43 LYS N N 121.835 0.15 1 211 . 43 LYS H H 7.948 0.03 1 212 . 43 LYS CA C 56.934 0.12 1 213 . 43 LYS HA H 4.380 0.03 1 214 . 43 LYS CB C 33.105 0.12 1 215 . 44 THR N N 111.419 0.15 1 216 . 44 THR H H 7.971 0.03 1 217 . 44 THR CA C 62.208 0.12 1 218 . 44 THR HA H 4.442 0.03 1 219 . 44 THR CB C 71.163 0.12 1 220 . 45 LYS N N 121.690 0.15 1 221 . 45 LYS H H 8.383 0.03 1 222 . 45 LYS CA C 60.360 0.12 1 223 . 45 LYS HA H 4.470 0.03 1 224 . 45 LYS CB C 32.564 0.12 1 225 . 46 GLU N N 117.200 0.15 1 226 . 46 GLU H H 8.425 0.03 1 227 . 46 GLU CA C 59.558 0.12 1 228 . 46 GLU HA H 4.008 0.03 1 229 . 46 GLU CB C 30.054 0.12 1 230 . 47 GLY N N 108.330 0.15 1 231 . 47 GLY H H 8.172 0.03 1 232 . 47 GLY CA C 46.877 0.12 1 233 . 47 GLY HA2 H 3.900 0.03 2 234 . 47 GLY HA3 H 4.040 0.03 2 235 . 48 VAL N N 122.364 0.15 1 236 . 48 VAL H H 8.224 0.03 1 237 . 48 VAL CA C 66.600 0.12 1 238 . 48 VAL HA H 3.834 0.03 1 239 . 48 VAL CB C 32.200 0.12 1 240 . 49 VAL N N 119.217 0.15 1 241 . 49 VAL H H 8.301 0.03 1 242 . 49 VAL CA C 67.256 0.12 1 243 . 49 VAL HA H 3.590 0.03 1 244 . 49 VAL CB C 31.989 0.12 1 245 . 50 HIS N N 117.375 0.15 1 246 . 50 HIS H H 8.149 0.03 1 247 . 50 HIS CA C 59.140 0.12 1 248 . 50 HIS HA H 4.487 0.03 1 249 . 50 HIS CB C 29.540 0.12 1 250 . 51 GLY N N 109.630 0.15 1 251 . 51 GLY H H 8.445 0.03 1 252 . 51 GLY CA C 47.506 0.12 1 253 . 51 GLY HA2 H 3.841 0.03 1 254 . 51 GLY HA3 H 3.841 0.03 1 255 . 52 VAL N N 121.430 0.15 1 256 . 52 VAL H H 8.550 0.03 1 257 . 52 VAL CA C 66.872 0.12 1 258 . 52 VAL HA H 3.622 0.03 1 259 . 52 VAL CB C 32.300 0.12 1 260 . 53 ALA N N 121.500 0.15 1 261 . 53 ALA H H 8.234 0.03 1 262 . 53 ALA CA C 55.730 0.12 1 263 . 53 ALA HA H 4.090 0.03 1 264 . 53 ALA CB C 18.654 0.12 1 265 . 54 THR N N 114.397 0.15 1 266 . 54 THR H H 7.978 0.03 1 267 . 54 THR CA C 66.442 0.12 1 268 . 54 THR HA H 4.000 0.03 1 269 . 54 THR CB C 69.200 0.12 1 270 . 55 VAL N N 121.711 0.15 1 271 . 55 VAL H H 7.982 0.03 1 272 . 55 VAL CA C 66.583 0.12 1 273 . 55 VAL HA H 3.730 0.03 1 274 . 55 VAL CB C 32.073 0.12 1 275 . 56 ALA N N 125.057 0.15 1 276 . 56 ALA H H 8.829 0.03 1 277 . 56 ALA CA C 55.989 0.12 1 278 . 56 ALA HA H 4.000 0.03 1 279 . 56 ALA CB C 18.808 0.12 1 280 . 57 GLU N N 117.607 0.15 1 281 . 57 GLU H H 8.063 0.03 1 282 . 57 GLU CA C 59.801 0.12 1 283 . 57 GLU HA H 4.010 0.03 1 284 . 57 GLU CB C 30.042 0.12 1 285 . 58 LYS N N 118.689 0.15 1 286 . 58 LYS H H 7.979 0.03 1 287 . 58 LYS CA C 58.800 0.12 1 288 . 58 LYS HA H 4.200 0.03 1 289 . 58 LYS CB C 33.102 0.12 1 290 . 59 THR N N 114.869 0.15 1 291 . 59 THR H H 8.212 0.03 1 292 . 59 THR CA C 66.703 0.12 1 293 . 59 THR HA H 4.020 0.03 1 294 . 59 THR CB C 69.041 0.12 1 295 . 60 LYS N N 121.058 0.15 1 296 . 60 LYS H H 8.166 0.03 1 297 . 60 LYS CA C 60.413 0.12 1 298 . 60 LYS HA H 3.900 0.03 1 299 . 60 LYS CB C 32.745 0.12 1 300 . 61 GLU N N 118.117 0.15 1 301 . 61 GLU H H 7.930 0.03 1 302 . 61 GLU CA C 59.197 0.12 1 303 . 61 GLU HA H 4.053 0.03 1 304 . 61 GLU CB C 30.069 0.12 1 305 . 62 GLN N N 117.334 0.15 1 306 . 62 GLN H H 7.944 0.03 1 307 . 62 GLN CA C 58.220 0.12 1 308 . 62 GLN HA H 4.330 0.03 1 309 . 62 GLN CB C 29.416 0.12 1 310 . 63 VAL N N 118.058 0.15 1 311 . 63 VAL H H 8.238 0.03 1 312 . 63 VAL CA C 65.770 0.12 1 313 . 63 VAL HA H 3.850 0.03 1 314 . 63 VAL CB C 32.102 0.12 1 315 . 64 THR N N 113.268 0.15 1 316 . 64 THR H H 7.983 0.03 1 317 . 64 THR CA C 64.586 0.12 1 318 . 64 THR HA H 4.150 0.03 1 319 . 64 THR CB C 69.493 0.12 1 320 . 65 ASN N N 120.240 0.15 1 321 . 65 ASN H H 8.054 0.03 1 322 . 65 ASN CA C 55.167 0.12 1 323 . 65 ASN HA H 4.710 0.03 1 324 . 65 ASN CB C 39.249 0.12 1 325 . 66 VAL N N 118.293 0.15 1 326 . 66 VAL H H 8.075 0.03 1 327 . 66 VAL CA C 64.369 0.12 1 328 . 66 VAL HA H 4.091 0.03 1 329 . 66 VAL CB C 32.703 0.12 1 330 . 67 GLY N N 108.745 0.15 1 331 . 67 GLY H H 8.397 0.03 1 332 . 67 GLY CA C 47.542 0.12 1 333 . 67 GLY HA2 H 3.790 0.03 2 334 . 67 GLY HA3 H 3.950 0.03 2 335 . 68 GLY N N 107.905 0.15 1 336 . 68 GLY H H 8.255 0.03 1 337 . 68 GLY CA C 47.375 0.12 1 338 . 68 GLY HA2 H 3.900 0.03 2 339 . 68 GLY HA3 H 3.940 0.03 2 340 . 69 ALA N N 124.667 0.15 1 341 . 69 ALA H H 8.021 0.03 1 342 . 69 ALA CA C 55.081 0.12 1 343 . 69 ALA HA H 4.008 0.03 1 344 . 69 ALA CB C 19.038 0.12 1 345 . 70 VAL N N 118.501 0.15 1 346 . 70 VAL H H 8.124 0.03 1 347 . 70 VAL CA C 66.754 0.12 1 348 . 70 VAL HA H 3.740 0.03 1 349 . 70 VAL CB C 32.081 0.12 1 350 . 71 VAL N N 119.063 0.15 1 351 . 71 VAL H H 8.097 0.03 1 352 . 71 VAL CA C 67.472 0.12 1 353 . 71 VAL HA H 3.590 0.03 1 354 . 71 VAL CB C 32.224 0.12 1 355 . 72 THR N N 117.150 0.15 1 356 . 72 THR H H 8.277 0.03 1 357 . 72 THR CA C 66.657 0.12 1 358 . 72 THR HA H 3.950 0.03 1 359 . 72 THR CB C 68.966 0.12 1 360 . 73 GLY N N 110.430 0.15 1 361 . 73 GLY H H 8.312 0.03 1 362 . 73 GLY CA C 47.794 0.12 1 363 . 73 GLY HA2 H 3.760 0.03 2 364 . 73 GLY HA3 H 3.980 0.03 2 365 . 74 VAL N N 120.534 0.15 1 366 . 74 VAL H H 8.717 0.03 1 367 . 74 VAL CA C 66.868 0.12 1 368 . 74 VAL HA H 3.714 0.03 1 369 . 74 VAL CB C 31.960 0.12 1 370 . 75 THR N N 114.078 0.15 1 371 . 75 THR H H 8.163 0.03 1 372 . 75 THR CA C 67.012 0.12 1 373 . 75 THR HA H 3.890 0.03 1 374 . 75 THR CB C 69.045 0.12 1 375 . 76 ALA N N 123.429 0.15 1 376 . 76 ALA H H 7.817 0.03 1 377 . 76 ALA CA C 55.578 0.12 1 378 . 76 ALA HA H 4.240 0.03 1 379 . 76 ALA CB C 18.751 0.12 1 380 . 77 VAL N N 117.770 0.15 1 381 . 77 VAL H H 7.904 0.03 1 382 . 77 VAL CA C 66.289 0.12 1 383 . 77 VAL HA H 3.740 0.03 1 384 . 77 VAL CB C 32.390 0.12 1 385 . 78 ALA N N 124.320 0.15 1 386 . 78 ALA H H 8.618 0.03 1 387 . 78 ALA CA C 55.861 0.12 1 388 . 78 ALA HA H 4.038 0.03 1 389 . 78 ALA CB C 18.898 0.12 1 390 . 79 GLN N N 115.635 0.15 1 391 . 79 GLN H H 8.217 0.03 1 392 . 79 GLN CA C 58.791 0.12 1 393 . 79 GLN HA H 4.053 0.03 1 394 . 79 GLN CB C 28.876 0.12 1 395 . 80 LYS N N 118.564 0.15 1 396 . 80 LYS H H 7.873 0.03 1 397 . 80 LYS CA C 58.582 0.12 1 398 . 80 LYS HA H 4.218 0.03 1 399 . 80 LYS CB C 32.912 0.12 1 400 . 81 THR N N 114.945 0.15 1 401 . 81 THR H H 8.077 0.03 1 402 . 81 THR CA C 65.738 0.12 1 403 . 81 THR HA H 4.080 0.03 1 404 . 81 THR CB C 69.224 0.12 1 405 . 82 VAL N N 120.530 0.15 1 406 . 82 VAL H H 8.001 0.03 1 407 . 82 VAL CA C 65.485 0.12 1 408 . 82 VAL HA H 3.850 0.03 1 409 . 82 VAL CB C 32.443 0.12 1 410 . 83 GLU N N 120.815 0.15 1 411 . 83 GLU H H 8.100 0.03 1 412 . 83 GLU CA C 58.527 0.12 1 413 . 83 GLU HA H 4.173 0.03 1 414 . 83 GLU CB C 30.149 0.12 1 415 . 84 GLY N N 108.182 0.15 1 416 . 84 GLY H H 8.191 0.03 1 417 . 84 GLY CA C 46.614 0.12 1 418 . 84 GLY HA2 H 3.900 0.03 2 419 . 84 GLY HA3 H 4.080 0.03 2 420 . 85 ALA N N 123.585 0.15 1 421 . 85 ALA H H 8.291 0.03 1 422 . 85 ALA CA C 54.340 0.12 1 423 . 85 ALA HA H 4.220 0.03 1 424 . 85 ALA CB C 19.224 0.12 1 425 . 86 GLY N N 106.344 0.15 1 426 . 86 GLY H H 8.385 0.03 1 427 . 86 GLY CA C 46.723 0.12 1 428 . 86 GLY HA2 H 3.920 0.03 2 429 . 86 GLY HA3 H 4.080 0.03 2 430 . 87 SER N N 116.093 0.15 1 431 . 87 SER H H 8.023 0.03 1 432 . 87 SER CA C 60.490 0.12 1 433 . 87 SER HA H 4.420 0.03 1 434 . 87 SER CB C 63.823 0.12 1 435 . 88 ILE N N 122.506 0.15 1 436 . 88 ILE H H 8.145 0.03 1 437 . 88 ILE CA C 64.303 0.12 1 438 . 88 ILE HA H 3.900 0.03 1 439 . 88 ILE CB C 37.970 0.12 1 440 . 89 ALA N N 123.698 0.15 1 441 . 89 ALA H H 8.304 0.03 1 442 . 89 ALA CA C 55.200 0.12 1 443 . 89 ALA HA H 4.080 0.03 1 444 . 89 ALA CB C 19.224 0.12 1 445 . 90 ALA N N 119.627 0.15 1 446 . 90 ALA H H 7.987 0.03 1 447 . 90 ALA CA C 54.641 0.12 1 448 . 90 ALA HA H 4.195 0.03 1 449 . 90 ALA CB C 18.744 0.12 1 450 . 91 ALA N N 120.248 0.15 1 451 . 91 ALA H H 7.930 0.03 1 452 . 91 ALA CA C 54.378 0.12 1 453 . 91 ALA HA H 4.230 0.03 1 454 . 91 ALA CB C 19.449 0.12 1 455 . 92 THR N N 107.704 0.15 1 456 . 92 THR H H 7.848 0.03 1 457 . 92 THR CA C 63.667 0.12 1 458 . 92 THR HA H 4.225 0.03 1 459 . 92 THR CB C 70.333 0.12 1 460 . 93 GLY N N 108.897 0.15 1 461 . 93 GLY H H 7.960 0.03 1 462 . 93 GLY CA C 46.322 0.12 1 463 . 93 GLY HA2 H 3.900 0.03 2 464 . 93 GLY HA3 H 3.970 0.03 2 465 . 94 PHE N N 119.862 0.15 1 466 . 94 PHE H H 7.854 0.03 1 467 . 94 PHE CA C 59.470 0.12 1 468 . 94 PHE HA H 4.450 0.03 1 469 . 94 PHE CB C 40.182 0.12 1 470 . 95 VAL N N 119.492 0.15 1 471 . 95 VAL H H 7.535 0.03 1 472 . 95 VAL CA C 62.472 0.12 1 473 . 95 VAL HA H 4.000 0.03 1 474 . 95 VAL CB C 33.430 0.12 1 475 . 96 LYS N N 123.041 0.15 1 476 . 96 LYS H H 8.001 0.03 1 477 . 96 LYS CA C 56.805 0.12 1 478 . 96 LYS HA H 4.210 0.03 1 479 . 96 LYS CB C 33.130 0.12 1 480 . 97 LYS N N 121.696 0.15 1 481 . 97 LYS H H 8.099 0.03 1 482 . 97 LYS CA C 57.339 0.12 1 483 . 97 LYS HA H 4.160 0.03 1 484 . 97 LYS CB C 33.091 0.12 1 485 . 98 ASP N N 119.814 0.15 1 486 . 98 ASP H H 8.290 0.03 1 487 . 98 ASP CA C 55.151 0.12 1 488 . 98 ASP HA H 4.530 0.03 1 489 . 98 ASP CB C 41.233 0.12 1 490 . 99 GLN N N 119.258 0.15 1 491 . 99 GLN H H 8.216 0.03 1 492 . 99 GLN CA C 56.383 0.12 1 493 . 99 GLN HA H 4.296 0.03 1 494 . 99 GLN CB C 29.799 0.12 1 495 . 100 LEU N N 121.503 0.15 1 496 . 100 LEU H H 8.075 0.03 1 497 . 100 LEU CA C 55.977 0.12 1 498 . 100 LEU HA H 4.290 0.03 1 499 . 100 LEU CB C 42.590 0.12 1 500 . 101 GLY N N 109.236 0.15 1 501 . 101 GLY H H 8.345 0.03 1 502 . 101 GLY CA C 45.881 0.12 1 503 . 101 GLY HA2 H 3.930 0.03 2 504 . 101 GLY HA3 H 3.940 0.03 2 505 . 102 LYS N N 120.362 0.15 1 506 . 102 LYS H H 8.077 0.03 1 507 . 102 LYS CA C 56.604 0.12 1 508 . 102 LYS HA H 4.311 0.03 1 509 . 102 LYS CB C 33.398 0.12 1 510 . 103 ASN N N 119.814 0.15 1 511 . 103 ASN H H 8.508 0.03 1 512 . 103 ASN CA C 53.557 0.12 1 513 . 103 ASN HA H 4.740 0.03 1 514 . 103 ASN CB C 39.457 0.12 1 515 . 104 GLU N N 121.840 0.15 1 516 . 104 GLU H H 8.420 0.03 1 517 . 104 GLU CA C 56.947 0.12 1 518 . 104 GLU HA H 4.296 0.03 1 519 . 104 GLU CB C 30.757 0.12 1 520 . 105 GLU N N 122.005 0.15 1 521 . 105 GLU H H 8.449 0.03 1 522 . 105 GLU CA C 57.086 0.12 1 523 . 105 GLU HA H 4.272 0.03 1 524 . 105 GLU CB C 30.757 0.12 1 525 . 106 GLY N N 110.130 0.15 1 526 . 106 GLY H H 8.401 0.03 1 527 . 106 GLY CA C 45.354 0.12 1 528 . 106 GLY HA2 H 3.880 0.03 2 529 . 106 GLY HA3 H 3.960 0.03 2 530 . 107 ALA N N 125.030 0.15 1 531 . 107 ALA H H 8.166 0.03 1 532 . 107 ALA CA C 50.828 0.12 1 533 . 107 ALA HA H 4.590 0.03 1 534 . 107 ALA CB C 18.623 0.12 1 535 . 108 PRO CA C 63.330 0.12 1 536 . 108 PRO HA H 4.420 0.03 1 537 . 108 PRO CB C 32.414 0.12 1 538 . 109 GLN N N 121.155 0.15 1 539 . 109 GLN H H 8.552 0.03 1 540 . 109 GLN CA C 55.912 0.12 1 541 . 109 GLN HA H 4.290 0.03 1 542 . 109 GLN CB C 29.998 0.12 1 543 . 110 GLU N N 122.587 0.15 1 544 . 110 GLU H H 8.487 0.03 1 545 . 110 GLU CA C 57.148 0.12 1 546 . 110 GLU HA H 4.230 0.03 1 547 . 110 GLU CB C 30.833 0.12 1 548 . 111 GLY N N 109.870 0.15 1 549 . 111 GLY H H 8.375 0.03 1 550 . 111 GLY CA C 45.506 0.12 1 551 . 111 GLY HA2 H 3.890 0.03 2 552 . 111 GLY HA3 H 3.960 0.03 2 553 . 112 ILE N N 120.176 0.15 1 554 . 112 ILE H H 7.985 0.03 1 555 . 112 ILE CA C 61.253 0.12 1 556 . 112 ILE HA H 4.150 0.03 1 557 . 112 ILE CB C 39.300 0.12 1 558 . 113 LEU N N 127.104 0.15 1 559 . 113 LEU H H 8.372 0.03 1 560 . 113 LEU CA C 55.263 0.12 1 561 . 113 LEU HA H 4.290 0.03 1 562 . 113 LEU CB C 42.786 0.12 1 563 . 114 GLU N N 122.449 0.15 1 564 . 114 GLU H H 8.395 0.03 1 565 . 114 GLU CA C 56.709 0.12 1 566 . 114 GLU HA H 4.250 0.03 1 567 . 114 GLU CB C 31.079 0.12 1 568 . 115 ASP N N 121.664 0.15 1 569 . 115 ASP H H 8.331 0.03 1 570 . 115 ASP CA C 54.546 0.12 1 571 . 115 ASP HA H 4.560 0.03 1 572 . 115 ASP CB C 41.575 0.12 1 573 . 116 MET N N 122.069 0.15 1 574 . 116 MET H H 8.251 0.03 1 575 . 116 MET CA C 53.516 0.12 1 576 . 116 MET HA H 4.520 0.03 1 577 . 116 MET CB C 32.984 0.12 1 578 . 117 PRO CA C 63.225 0.12 1 579 . 117 PRO HA H 4.440 0.03 1 580 . 117 PRO CB C 32.537 0.12 1 581 . 118 VAL N N 120.611 0.15 1 582 . 118 VAL H H 8.243 0.03 1 583 . 118 VAL CA C 62.119 0.12 1 584 . 118 VAL HA H 4.070 0.03 1 585 . 118 VAL CB C 33.476 0.12 1 586 . 119 ASP N N 125.864 0.15 1 587 . 119 ASP H H 8.468 0.03 1 588 . 119 ASP CA C 52.562 0.12 1 589 . 119 ASP HA H 4.870 0.03 1 590 . 119 ASP CB C 41.448 0.12 1 591 . 120 PRO CA C 63.734 0.12 1 592 . 120 PRO HA H 4.330 0.03 1 593 . 120 PRO CB C 32.581 0.12 1 594 . 121 ASP N N 119.567 0.15 1 595 . 121 ASP H H 8.367 0.03 1 596 . 121 ASP CA C 54.960 0.12 1 597 . 121 ASP HA H 4.590 0.03 1 598 . 121 ASP CB C 41.284 0.12 1 599 . 122 ASN N N 119.090 0.15 1 600 . 122 ASN H H 8.146 0.03 1 601 . 122 ASN CA C 53.815 0.12 1 602 . 122 ASN HA H 4.680 0.03 1 603 . 122 ASN CB C 39.772 0.12 1 604 . 123 GLU N N 121.652 0.15 1 605 . 123 GLU H H 8.344 0.03 1 606 . 123 GLU CA C 57.160 0.12 1 607 . 123 GLU HA H 4.190 0.03 1 608 . 123 GLU CB C 30.556 0.12 1 609 . 124 ALA N N 124.505 0.15 1 610 . 124 ALA H H 8.184 0.03 1 611 . 124 ALA CA C 52.625 0.12 1 612 . 124 ALA HA H 4.290 0.03 1 613 . 124 ALA CB C 19.464 0.12 1 614 . 125 TYR N N 120.190 0.15 1 615 . 125 TYR H H 8.014 0.03 1 616 . 125 TYR CA C 57.920 0.12 1 617 . 125 TYR HA H 4.530 0.03 1 618 . 125 TYR CB C 39.426 0.12 1 619 . 126 GLU N N 123.567 0.15 1 620 . 126 GLU H H 8.148 0.03 1 621 . 126 GLU CA C 56.082 0.12 1 622 . 126 GLU HA H 4.240 0.03 1 623 . 126 GLU CB C 31.142 0.12 1 624 . 127 MET N N 123.801 0.15 1 625 . 127 MET H H 8.391 0.03 1 626 . 127 MET CA C 53.639 0.12 1 627 . 127 MET HA H 4.690 0.03 1 628 . 127 MET CB C 32.857 0.12 1 629 . 128 PRO CA C 63.335 0.12 1 630 . 128 PRO HA H 4.430 0.03 1 631 . 128 PRO CB C 32.572 0.12 1 632 . 129 SER N N 116.679 0.15 1 633 . 129 SER H H 8.451 0.03 1 634 . 129 SER CA C 58.500 0.12 1 635 . 129 SER HA H 4.420 0.03 1 636 . 129 SER CB C 64.245 0.12 1 637 . 130 GLU N N 123.191 0.15 1 638 . 130 GLU H H 8.546 0.03 1 639 . 130 GLU CA C 56.845 0.12 1 640 . 130 GLU HA H 4.290 0.03 1 641 . 130 GLU CB C 30.765 0.12 1 642 . 131 GLU N N 122.587 0.15 1 643 . 131 GLU H H 8.487 0.03 1 644 . 131 GLU CA C 57.015 0.12 1 645 . 131 GLU HA H 4.290 0.03 1 646 . 131 GLU CB C 30.869 0.12 1 647 . 132 GLY N N 110.186 0.15 1 648 . 132 GLY H H 8.449 0.03 1 649 . 132 GLY CA C 45.578 0.12 1 650 . 132 GLY HA2 H 3.930 0.03 1 651 . 132 GLY HA3 H 3.930 0.03 1 652 . 133 TYR N N 120.377 0.15 1 653 . 133 TYR H H 8.032 0.03 1 654 . 133 TYR CA C 58.189 0.12 1 655 . 133 TYR HA H 4.500 0.03 1 656 . 133 TYR CB C 39.292 0.12 1 657 . 134 GLN N N 122.643 0.15 1 658 . 134 GLN H H 8.197 0.03 1 659 . 134 GLN CA C 55.776 0.12 1 660 . 134 GLN HA H 4.250 0.03 1 661 . 134 GLN CB C 30.254 0.12 1 662 . 135 ASP N N 121.744 0.15 1 663 . 135 ASP H H 8.215 0.03 1 664 . 135 ASP CA C 54.554 0.12 1 665 . 135 ASP HA H 4.750 0.03 1 666 . 135 ASP CB C 41.603 0.12 1 667 . 136 TYR N N 119.679 0.15 1 668 . 136 TYR H H 8.042 0.03 1 669 . 136 TYR CA C 58.002 0.12 1 670 . 136 TYR HA H 4.540 0.03 1 671 . 136 TYR CB C 39.364 0.12 1 672 . 137 GLU N N 125.255 0.15 1 673 . 137 GLU H H 8.238 0.03 1 674 . 137 GLU CA C 54.008 0.12 1 675 . 137 GLU HA H 4.530 0.03 1 676 . 137 GLU CB C 30.686 0.12 1 677 . 138 PRO CA C 63.242 0.12 1 678 . 138 PRO CB C 32.610 0.12 1 679 . 139 GLU N N 121.515 0.15 1 680 . 139 GLU H H 8.484 0.03 1 681 . 139 GLU CA C 56.900 0.12 1 682 . 139 GLU HA H 4.200 0.03 1 683 . 139 GLU CB C 30.706 0.12 1 684 . 140 ALA N N 106.799 0.15 1 685 . 140 ALA H H 7.944 0.03 1 686 . 140 ALA CA C 54.118 0.12 1 687 . 140 ALA HA H 4.100 0.03 1 688 . 140 ALA CB C 20.708 0.12 1 stop_ save_