data_6968 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignment of C', CA, CB, N, HN, HA and HB of intrinsically disordered alpha-synuclein ; _BMRB_accession_number 6968 _BMRB_flat_file_name bmr6968.str _Entry_type original _Submission_date 2006-02-03 _Accession_date 2006-02-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H, 13C and 15N assignment of C', CA, CB, N, HN, HA and HB of intrinsically disordered alpha-synuclein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bermel Wolfgang . . 2 Bertini Ivano . . 3 Felli Isabella C. . 4 Lee Yong-Min . . 5 Luchinat Claudio . . 6 Kozminski Wiktor . . 7 Piai Alessandro . . 8 Pierattelli Roberta . . 9 Stanek Jan . . 10 Zawadzka-Kazimierczuk Anna . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 485 "13C chemical shifts" 401 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-17 update author 'update assignments' 2013-07-11 update author 'update assignments, and others' 2006-04-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Protonless NMR experiments for sequence-specific assignment of backbone nuclei in unfolded proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16551093 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bermel Wolfgang . . 2 Bertini Ivano . . 3 Felli Isabella C. . 4 Lee Yong-Min . . 5 Luchinat Claudio . . 6 Pierattelli Roberta . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 128 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3918 _Page_last 3919 _Year 2006 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'Speeding up sequence specific assignment of IDPs' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22684679 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bermel Wolfgang . . 2 Bertini Ivano . . 3 Felli Isabella C. . 4 Gonnelli Leonardo . . 5 Kozminski Wiktor . . 6 Piai Alessandro . . 7 Pierattelli Roberta . . 8 Stanek Jan . . stop_ _Journal_abbreviation 'J. Bimol. NMR' _Journal_name_full . _Journal_volume 53 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 293 _Page_last 301 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'intrinsically disordered alpha-synuclein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'intrinsically disordered alpha-synuclein' $intrinsically_disordered_alpha-synuclein stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details 'intrinsically disordered alpha-synuclein' save_ ######################## # Monomeric polymers # ######################## save_intrinsically_disordered_alpha-synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'intrinsically disordered alpha-synuclein' _Molecular_mass . _Mol_thiol_state 'not present' _Details 'intrinsically disordered alpha-synuclein' ############################## # 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 5744 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 $intrinsically_disordered_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 _Details $intrinsically_disordered_alpha-synuclein 'recombinant technology' . . . . . 'recombinant from E.Coli' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; The NMR sample contained 1.0 mM uniformly 13C-15N labeled alpha-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $intrinsically_disordered_alpha-synuclein 1 mM '[U-13C; U-15N]' KPi 20 mM . EDTA 0.5 mM . NaCl 200 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address Bruker . . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'The 700 MHz NMR spectrometer was equipped with a TXO cryoprobe optimized for 13C direct detection' save_ ############################# # NMR applied experiments # ############################# save_COCON-IPAP_1 _Saveframe_category NMR_applied_experiment _Experiment_name COCON-IPAP _Sample_label $sample_1 save_ save_CBCACON-IPAP_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACON-IPAP _Sample_label $sample_1 save_ save_HCBCACON-IPAP_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCBCACON-IPAP _Sample_label $sample_1 save_ save_HCBCANCO-IPAP_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCBCANCO-IPAP _Sample_label $sample_1 save_ save_HNCACON-IPAP_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACON-IPAP _Sample_label $sample_1 save_ save_HNCANCO-IPAP_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCANCO-IPAP _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; The NMR sample contained 1.0 mM uniformly 13C-15N labeled alpha-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 pH temperature 285.5 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details ; assignment obtained for 13C-15N alpha-synuclein at 285.5 K with the COCON-IPAP, CBCACON-IPAP, HCBCACON-IPAP, HCBCANCO-IPAP, HNCACON-IPAP and HNCANCO-IPAP experiments. The NMR sample contained 1.0 mM uniformly 13C-15N labeled a-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5. ; loop_ _Experiment_label COCON-IPAP CBCACON-IPAP HCBCACON-IPAP HCBCANCO-IPAP HNCACON-IPAP HNCANCO-IPAP stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'intrinsically disordered 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 1 MET HA H 4.11 0.01 1 2 1 1 MET HB2 H 2.15 0.01 2 3 1 1 MET HB3 H 2.15 0.01 2 4 1 1 MET C C 172.33 0.05 1 5 1 1 MET CA C 55.10 0.05 1 6 1 1 MET CB C 33.02 0.05 1 7 2 2 ASP HA H 4.73 0.01 1 8 2 2 ASP HB2 H 2.65 0.01 2 9 2 2 ASP HB3 H 2.58 0.01 2 10 2 2 ASP C C 175.84 0.05 1 11 2 2 ASP CA C 54.27 0.05 1 12 2 2 ASP CB C 41.52 0.05 1 13 2 2 ASP N N 124.84 0.03 1 14 3 3 VAL H H 8.35 0.01 1 15 3 3 VAL HA H 4.04 0.01 1 16 3 3 VAL HB H 2.02 0.01 1 17 3 3 VAL C C 175.91 0.05 1 18 3 3 VAL CA C 62.51 0.05 1 19 3 3 VAL CB C 32.62 0.05 1 20 3 3 VAL N N 120.59 0.03 1 21 4 4 PHE H H 8.43 0.01 1 22 4 4 PHE HA H 4.62 0.01 1 23 4 4 PHE HB2 H 3.11 0.01 1 24 4 4 PHE HB3 H 3.11 0.01 1 25 4 4 PHE C C 175.85 0.05 1 26 4 4 PHE CA C 57.98 0.05 1 27 4 4 PHE CB C 39.39 0.05 1 28 4 4 PHE N N 123.73 0.03 1 29 5 5 MET H H 8.27 0.01 1 30 5 5 MET HA H 4.33 0.01 1 31 5 5 MET HB2 H 2.55 0.01 2 32 5 5 MET HB3 H 2.47 0.01 2 33 5 5 MET C C 176.03 0.05 1 34 5 5 MET CA C 55.67 0.05 1 35 5 5 MET CB C 31.96 0.05 1 36 5 5 MET N N 122.50 0.03 1 37 6 6 LYS H H 8.34 0.01 1 38 6 6 LYS HA H 4.23 0.01 1 39 6 6 LYS HB2 H 1.86 0.01 2 40 6 6 LYS HB3 H 1.80 0.01 2 41 6 6 LYS C C 177.19 0.05 1 42 6 6 LYS CA C 56.97 0.05 1 43 6 6 LYS CB C 32.91 0.05 1 44 6 6 LYS N N 122.77 0.03 1 45 7 7 GLY H H 8.48 0.01 1 46 7 7 GLY HA2 H 3.96 0.01 1 47 7 7 GLY HA3 H 3.96 0.01 1 48 7 7 GLY C C 174.22 0.05 1 49 7 7 GLY CA C 45.36 0.05 1 50 7 7 GLY N N 110.00 0.03 1 51 8 8 LEU H H 8.12 0.01 1 52 8 8 LEU HA H 4.40 0.01 1 53 8 8 LEU HB2 H 1.64 0.01 2 54 8 8 LEU HB3 H 1.64 0.01 2 55 8 8 LEU C C 177.70 0.05 1 56 8 8 LEU CA C 55.20 0.05 1 57 8 8 LEU CB C 42.53 0.05 1 58 8 8 LEU N N 121.66 0.03 1 59 9 9 SER H H 8.40 0.01 1 60 9 9 SER HA H 4.43 0.01 1 61 9 9 SER HB2 H 3.87 0.01 2 62 9 9 SER HB3 H 3.87 0.01 2 63 9 9 SER C C 174.62 0.05 1 64 9 9 SER CA C 58.44 0.05 1 65 9 9 SER CB C 63.82 0.05 1 66 9 9 SER N N 116.82 0.03 1 67 10 10 LYS H H 8.44 0.01 1 68 10 10 LYS HA H 4.32 0.01 1 69 10 10 LYS HB2 H 1.87 0.01 2 70 10 10 LYS HB3 H 1.76 0.01 2 71 10 10 LYS C C 176.52 0.05 1 72 10 10 LYS CA C 56.38 0.05 1 73 10 10 LYS CB C 33.05 0.05 1 74 10 10 LYS N N 123.74 0.03 1 75 11 11 ALA H H 8.36 0.01 1 76 11 11 ALA HA H 4.27 0.01 1 77 11 11 ALA HB H 1.40 0.01 1 78 11 11 ALA C C 177.97 0.05 1 79 11 11 ALA CA C 52.73 0.05 1 80 11 11 ALA CB C 19.21 0.05 1 81 11 11 ALA N N 125.37 0.03 1 82 12 12 LYS H H 8.41 0.01 1 83 12 12 LYS HA H 4.27 0.01 1 84 12 12 LYS HB2 H 1.87 0.01 2 85 12 12 LYS HB3 H 1.76 0.01 2 86 12 12 LYS C C 176.74 0.05 1 87 12 12 LYS CA C 56.48 0.05 1 88 12 12 LYS CB C 33.09 0.05 1 89 12 12 LYS N N 120.99 0.03 1 90 13 13 GLU H H 8.52 0.01 1 91 13 13 GLU HA H 4.27 0.01 1 92 13 13 GLU HB2 H 2.06 0.01 2 93 13 13 GLU HB3 H 1.94 0.01 2 94 13 13 GLU C C 177.09 0.05 1 95 13 13 GLU CA C 56.88 0.05 1 96 13 13 GLU CB C 30.28 0.05 1 97 13 13 GLU N N 122.18 0.03 1 98 14 14 GLY H H 8.53 0.01 1 99 14 14 GLY HA2 H 3.97 0.01 1 100 14 14 GLY HA3 H 3.97 0.01 1 101 14 14 GLY C C 174.08 0.05 1 102 14 14 GLY CA C 45.32 0.05 1 103 14 14 GLY N N 110.22 0.03 1 104 15 15 VAL H H 8.04 0.01 1 105 15 15 VAL HA H 4.09 0.01 1 106 15 15 VAL HB H 2.07 0.01 1 107 15 15 VAL C C 176.52 0.05 1 108 15 15 VAL CA C 62.51 0.05 1 109 15 15 VAL CB C 32.72 0.05 1 110 15 15 VAL N N 120.26 0.03 1 111 16 16 VAL H H 8.36 0.01 1 112 16 16 VAL HA H 4.08 0.01 1 113 16 16 VAL HB H 2.05 0.01 1 114 16 16 VAL C C 176.07 0.05 1 115 16 16 VAL CA C 62.54 0.05 1 116 16 16 VAL CB C 32.75 0.05 1 117 16 16 VAL N N 125.35 0.03 1 118 17 17 ALA H H 8.52 0.01 1 119 17 17 ALA HA H 4.28 0.01 1 120 17 17 ALA HB H 1.40 0.01 1 121 17 17 ALA C C 177.74 0.05 1 122 17 17 ALA CA C 52.58 0.05 1 123 17 17 ALA CB C 19.21 0.05 1 124 17 17 ALA N N 128.55 0.03 1 125 18 18 ALA H H 8.38 0.01 1 126 18 18 ALA HA H 4.25 0.01 1 127 18 18 ALA HB H 1.41 0.01 1 128 18 18 ALA C C 177.97 0.05 1 129 18 18 ALA CA C 52.81 0.05 1 130 18 18 ALA CB C 19.11 0.05 1 131 18 18 ALA N N 123.79 0.03 1 132 19 19 ALA H H 8.35 0.01 1 133 19 19 ALA HA H 4.28 0.01 1 134 19 19 ALA HB H 1.42 0.01 1 135 19 19 ALA C C 178.25 0.05 1 136 19 19 ALA CA C 52.81 0.05 1 137 19 19 ALA CB C 19.14 0.05 1 138 19 19 ALA N N 123.20 0.03 1 139 20 20 GLU H H 8.39 0.01 1 140 20 20 GLU HA H 4.24 0.01 1 141 20 20 GLU HB2 H 2.07 0.01 2 142 20 20 GLU HB3 H 1.99 0.01 2 143 20 20 GLU C C 176.97 0.05 1 144 20 20 GLU CA C 56.82 0.05 1 145 20 20 GLU CB C 30.17 0.05 1 146 20 20 GLU N N 120.19 0.03 1 147 21 21 LYS H H 8.41 0.01 1 148 21 21 LYS HA H 4.35 0.01 1 149 21 21 LYS HB2 H 1.89 0.01 2 150 21 21 LYS HB3 H 1.82 0.01 2 151 21 21 LYS C C 177.20 0.05 1 152 21 21 LYS CA C 56.80 0.05 1 153 21 21 LYS CB C 32.88 0.05 1 154 21 21 LYS N N 122.39 0.03 1 155 22 22 THR H H 8.21 0.01 1 156 22 22 THR HA H 4.32 0.01 1 157 22 22 THR HB H 4.24 0.01 1 158 22 22 THR C C 174.75 0.05 1 159 22 22 THR CA C 62.21 0.05 1 160 22 22 THR CB C 69.89 0.05 1 161 22 22 THR N N 115.46 0.03 1 162 23 23 LYS H H 8.42 0.01 1 163 23 23 LYS HA H 4.31 0.01 1 164 23 23 LYS HB2 H 1.84 0.01 2 165 23 23 LYS HB3 H 1.79 0.01 2 166 23 23 LYS C C 176.76 0.05 1 167 23 23 LYS CA C 56.74 0.05 1 168 23 23 LYS CB C 32.94 0.05 1 169 23 23 LYS N N 123.91 0.03 1 170 24 24 GLN H H 8.50 0.01 1 171 24 24 GLN HA H 4.32 0.01 1 172 24 24 GLN HB2 H 2.13 0.01 2 173 24 24 GLN HB3 H 2.03 0.01 2 174 24 24 GLN C C 176.66 0.05 1 175 24 24 GLN CA C 56.26 0.05 1 176 24 24 GLN CB C 29.44 0.05 1 177 24 24 GLN N N 121.81 0.03 1 178 25 25 GLY H H 8.56 0.01 1 179 25 25 GLY HA2 H 3.99 0.01 1 180 25 25 GLY HA3 H 3.99 0.01 1 181 25 25 GLY C C 174.32 0.05 1 182 25 25 GLY CA C 45.40 0.05 1 183 25 25 GLY N N 110.64 0.03 1 184 26 26 VAL H H 8.07 0.01 1 185 26 26 VAL HA H 4.08 0.01 1 186 26 26 VAL HB H 2.10 0.01 1 187 26 26 VAL C C 176.44 0.05 1 188 26 26 VAL CA C 62.64 0.05 1 189 26 26 VAL CB C 32.72 0.05 1 190 26 26 VAL N N 119.91 0.03 1 191 27 27 ALA H H 8.49 0.01 1 192 27 27 ALA HA H 4.30 0.01 1 193 27 27 ALA HB H 1.41 0.01 1 194 27 27 ALA C C 178.20 0.05 1 195 27 27 ALA CA C 52.86 0.05 1 196 27 27 ALA CB C 19.02 0.05 1 197 27 27 ALA N N 127.49 0.03 1 198 28 28 GLU H H 8.47 0.01 1 199 28 28 GLU HA H 4.21 0.01 1 200 28 28 GLU HB2 H 2.04 0.01 2 201 28 28 GLU HB3 H 1.97 0.01 2 202 28 28 GLU C C 176.72 0.05 1 203 28 28 GLU CA C 56.91 0.05 1 204 28 28 GLU CB C 30.22 0.05 1 205 28 28 GLU N N 120.67 0.03 1 206 29 29 ALA H H 8.37 0.01 1 207 29 29 ALA HA H 4.28 0.01 1 208 29 29 ALA HB H 1.41 0.01 1 209 29 29 ALA C C 177.80 0.05 1 210 29 29 ALA CA C 52.76 0.05 1 211 29 29 ALA CB C 19.13 0.05 1 212 29 29 ALA N N 125.02 0.03 1 213 30 30 ALA H H 8.31 0.01 1 214 30 30 ALA HA H 4.30 0.01 1 215 30 30 ALA HB H 1.43 0.01 1 216 30 30 ALA C C 178.51 0.05 1 217 30 30 ALA CA C 52.87 0.05 1 218 30 30 ALA CB C 19.12 0.05 1 219 30 30 ALA N N 123.16 0.03 1 220 31 31 GLY H H 8.38 0.01 1 221 31 31 GLY HA2 H 3.96 0.01 1 222 31 31 GLY HA3 H 3.96 0.01 1 223 31 31 GLY C C 174.23 0.05 1 224 31 31 GLY CA C 45.34 0.05 1 225 31 31 GLY N N 107.89 0.03 1 226 32 32 LYS H H 8.18 0.01 1 227 32 32 LYS HA H 4.43 0.01 1 228 32 32 LYS HB2 H 1.89 0.01 2 229 32 32 LYS HB3 H 1.81 0.01 2 230 32 32 LYS C C 177.05 0.05 1 231 32 32 LYS CA C 56.31 0.05 1 232 32 32 LYS CB C 32.96 0.05 1 233 32 32 LYS N N 120.82 0.03 1 234 33 33 THR H H 8.30 0.01 1 235 33 33 THR HA H 4.34 0.01 1 236 33 33 THR HB H 4.24 0.01 1 237 33 33 THR C C 174.71 0.05 1 238 33 33 THR CA C 62.03 0.05 1 239 33 33 THR CB C 69.91 0.05 1 240 33 33 THR N N 115.73 0.03 1 241 34 34 LYS H H 8.54 0.01 1 242 34 34 LYS HA H 4.31 0.01 1 243 34 34 LYS HB2 H 1.85 0.01 2 244 34 34 LYS HB3 H 1.78 0.01 2 245 34 34 LYS C C 176.60 0.05 1 246 34 34 LYS CA C 56.58 0.05 1 247 34 34 LYS CB C 32.97 0.05 1 248 34 34 LYS N N 124.01 0.03 1 249 35 35 GLU H H 8.52 0.01 1 250 35 35 GLU HA H 4.27 0.01 1 251 35 35 GLU HB2 H 2.08 0.01 2 252 35 35 GLU HB3 H 1.95 0.01 2 253 35 35 GLU C C 177.00 0.05 1 254 35 35 GLU CA C 56.87 0.05 1 255 35 35 GLU CB C 30.27 0.05 1 256 35 35 GLU N N 122.12 0.03 1 257 36 36 GLY H H 8.51 0.01 1 258 36 36 GLY HA2 H 3.99 0.01 1 259 36 36 GLY HA3 H 3.99 0.01 1 260 36 36 GLY C C 174.05 0.05 1 261 36 36 GLY CA C 45.28 0.05 1 262 36 36 GLY N N 110.09 0.03 1 263 37 37 VAL H H 7.97 0.01 1 264 37 37 VAL HA H 4.08 0.01 1 265 37 37 VAL HB H 2.05 0.01 1 266 37 37 VAL C C 175.96 0.05 1 267 37 37 VAL CA C 62.37 0.05 1 268 37 37 VAL CB C 32.75 0.05 1 269 37 37 VAL N N 119.65 0.03 1 270 38 38 LEU H H 8.36 0.01 1 271 38 38 LEU HA H 4.35 0.01 1 272 38 38 LEU HB2 H 1.57 0.01 2 273 38 38 LEU HB3 H 1.47 0.01 2 274 38 38 LEU C C 176.69 0.05 1 275 38 38 LEU CA C 55.00 0.05 1 276 38 38 LEU CB C 42.52 0.05 1 277 38 38 LEU N N 125.94 0.03 1 278 39 39 TYR H H 8.34 0.01 1 279 39 39 TYR HA H 4.60 0.01 1 280 39 39 TYR HB2 H 2.98 0.01 2 281 39 39 TYR HB3 H 2.98 0.01 2 282 39 39 TYR C C 175.62 0.05 1 283 39 39 TYR CA C 57.93 0.05 1 284 39 39 TYR CB C 38.89 0.05 1 285 39 39 TYR N N 122.57 0.03 1 286 40 40 VAL H H 8.15 0.01 1 287 40 40 VAL HA H 4.08 0.01 1 288 40 40 VAL HB H 2.04 0.01 1 289 40 40 VAL C C 176.18 0.05 1 290 40 40 VAL CA C 62.21 0.05 1 291 40 40 VAL CB C 32.83 0.05 1 292 40 40 VAL N N 123.46 0.03 1 293 41 41 GLY H H 8.11 0.01 1 294 41 41 GLY HA2 H 3.95 0.01 1 295 41 41 GLY HA3 H 3.95 0.01 1 296 41 41 GLY C C 173.98 0.05 1 297 41 41 GLY CA C 45.17 0.05 1 298 41 41 GLY N N 112.28 0.03 1 299 42 42 SER H H 8.33 0.01 1 300 42 42 SER HA H 4.46 0.01 1 301 42 42 SER HB2 H 3.88 0.01 2 302 42 42 SER HB3 H 3.88 0.01 2 303 42 42 SER C C 174.82 0.05 1 304 42 42 SER CA C 58.39 0.05 1 305 42 42 SER CB C 63.89 0.05 1 306 42 42 SER N N 115.72 0.03 1 307 43 43 LYS H H 8.55 0.01 1 308 43 43 LYS HA H 4.43 0.01 1 309 43 43 LYS HB2 H 1.88 0.01 2 310 43 43 LYS HB3 H 1.79 0.01 2 311 43 43 LYS C C 176.92 0.05 1 312 43 43 LYS CA C 56.47 0.05 1 313 43 43 LYS CB C 33.02 0.05 1 314 43 43 LYS N N 123.57 0.03 1 315 44 44 THR H H 8.25 0.01 1 316 44 44 THR HA H 4.33 0.01 1 317 44 44 THR HB H 4.23 0.01 1 318 44 44 THR C C 174.63 0.05 1 319 44 44 THR CA C 61.93 0.05 1 320 44 44 THR CB C 69.92 0.05 1 321 44 44 THR N N 115.62 0.03 1 322 45 45 LYS H H 8.54 0.01 1 323 45 45 LYS HA H 4.31 0.01 1 324 45 45 LYS HB2 H 1.86 0.01 2 325 45 45 LYS HB3 H 1.77 0.01 2 326 45 45 LYS C C 176.60 0.05 1 327 45 45 LYS CA C 56.61 0.05 1 328 45 45 LYS CB C 32.97 0.05 1 329 45 45 LYS N N 123.95 0.03 1 330 46 46 GLU H H 8.54 0.01 1 331 46 46 GLU HA H 4.26 0.01 1 332 46 46 GLU HB2 H 2.08 0.01 2 333 46 46 GLU HB3 H 1.94 0.01 2 334 46 46 GLU C C 176.98 0.05 1 335 46 46 GLU CA C 56.86 0.05 1 336 46 46 GLU CB C 30.31 0.05 1 337 46 46 GLU N N 122.15 0.03 1 338 47 47 GLY H H 8.50 0.01 1 339 47 47 GLY HA2 H 3.96 0.01 1 340 47 47 GLY HA3 H 3.96 0.01 1 341 47 47 GLY C C 173.90 0.05 1 342 47 47 GLY CA C 45.26 0.05 1 343 47 47 GLY N N 110.13 0.03 1 344 48 48 VAL H H 7.99 0.01 1 345 48 48 VAL HA H 4.11 0.01 1 346 48 48 VAL HB H 2.01 0.01 1 347 48 48 VAL C C 176.09 0.05 1 348 48 48 VAL CA C 62.28 0.05 1 349 48 48 VAL CB C 32.82 0.05 1 350 48 48 VAL N N 120.01 0.03 1 351 49 49 VAL H H 8.37 0.01 1 352 49 49 VAL HA H 4.08 0.01 1 353 49 49 VAL HB H 1.98 0.01 1 354 49 49 VAL C C 175.94 0.05 1 355 49 49 VAL CA C 62.21 0.05 1 356 49 49 VAL CB C 32.73 0.05 1 357 49 49 VAL N N 125.13 0.03 1 358 50 50 HIS H H 8.69 0.01 1 359 50 50 HIS HA H 4.70 0.01 1 360 50 50 HIS HB2 H 3.23 0.01 2 361 50 50 HIS HB3 H 3.14 0.01 2 362 50 50 HIS C C 175.25 0.05 1 363 50 50 HIS CA C 55.70 0.05 1 364 50 50 HIS CB C 30.06 0.05 1 365 50 50 HIS N N 124.10 0.03 1 366 51 51 GLY H H 8.53 0.01 1 367 51 51 GLY HA2 H 3.97 0.01 1 368 51 51 GLY HA3 H 3.97 0.01 1 369 51 51 GLY C C 173.79 0.05 1 370 51 51 GLY CA C 45.17 0.05 1 371 51 51 GLY N N 110.72 0.03 1 372 52 52 VAL H H 8.14 0.01 1 373 52 52 VAL HA H 4.16 0.01 1 374 52 52 VAL HB H 2.08 0.01 1 375 52 52 VAL C C 175.98 0.05 1 376 52 52 VAL CA C 62.03 0.05 1 377 52 52 VAL CB C 32.98 0.05 1 378 52 52 VAL N N 119.69 0.03 1 379 53 53 ALA H H 8.57 0.01 1 380 53 53 ALA HA H 4.42 0.01 1 381 53 53 ALA HB H 1.40 0.01 1 382 53 53 ALA C C 177.87 0.05 1 383 53 53 ALA CA C 52.44 0.05 1 384 53 53 ALA CB C 19.30 0.05 1 385 53 53 ALA N N 128.35 0.03 1 386 54 54 THR H H 8.30 0.01 1 387 54 54 THR HA H 4.33 0.01 1 388 54 54 THR HB H 4.19 0.01 1 389 54 54 THR C C 174.58 0.05 1 390 54 54 THR CA C 61.90 0.05 1 391 54 54 THR CB C 69.98 0.05 1 392 54 54 THR N N 115.03 0.03 1 393 55 55 VAL H H 8.32 0.01 1 394 55 55 VAL HA H 4.11 0.01 1 395 55 55 VAL HB H 2.07 0.01 1 396 55 55 VAL C C 175.91 0.05 1 397 55 55 VAL CA C 62.34 0.05 1 398 55 55 VAL CB C 32.88 0.05 1 399 55 55 VAL N N 123.23 0.03 1 400 56 56 ALA H H 8.49 0.01 1 401 56 56 ALA HA H 4.30 0.01 1 402 56 56 ALA HB H 1.39 0.01 1 403 56 56 ALA C C 177.83 0.05 1 404 56 56 ALA CA C 52.57 0.05 1 405 56 56 ALA CB C 19.29 0.05 1 406 56 56 ALA N N 128.23 0.03 1 407 57 57 GLU H H 8.44 0.01 1 408 57 57 GLU HA H 4.24 0.01 1 409 57 57 GLU HB2 H 2.03 0.01 2 410 57 57 GLU HB3 H 1.98 0.01 2 411 57 57 GLU C C 176.75 0.05 1 412 57 57 GLU CA C 56.69 0.05 1 413 57 57 GLU CB C 30.44 0.05 1 414 57 57 GLU N N 121.02 0.03 1 415 58 58 LYS H H 8.51 0.01 1 416 58 58 LYS HA H 4.37 0.01 1 417 58 58 LYS HB2 H 1.87 0.01 2 418 58 58 LYS HB3 H 1.80 0.01 2 419 58 58 LYS C C 177.01 0.05 1 420 58 58 LYS CA C 56.50 0.05 1 421 58 58 LYS CB C 33.01 0.05 1 422 58 58 LYS N N 122.95 0.03 1 423 59 59 THR H H 8.29 0.01 1 424 59 59 THR HA H 4.30 0.01 1 425 59 59 THR HB H 4.24 0.01 1 426 59 59 THR C C 174.67 0.05 1 427 59 59 THR CA C 62.16 0.05 1 428 59 59 THR CB C 69.81 0.05 1 429 59 59 THR N N 116.13 0.03 1 430 60 60 LYS H H 8.46 0.01 1 431 60 60 LYS HA H 4.31 0.01 1 432 60 60 LYS HB2 H 1.86 0.01 2 433 60 60 LYS HB3 H 1.77 0.01 2 434 60 60 LYS C C 176.74 0.05 1 435 60 60 LYS CA C 56.60 0.05 1 436 60 60 LYS CB C 32.99 0.05 1 437 60 60 LYS N N 123.84 0.03 1 438 61 61 GLU H H 8.50 0.01 1 439 61 61 GLU HA H 4.26 0.01 1 440 61 61 GLU HB2 H 2.05 0.01 2 441 61 61 GLU HB3 H 1.96 0.01 2 442 61 61 GLU C C 176.47 0.05 1 443 61 61 GLU CA C 56.75 0.05 1 444 61 61 GLU CB C 30.21 0.05 1 445 61 61 GLU N N 122.25 0.03 1 446 62 62 GLN H H 8.49 0.01 1 447 62 62 GLN HA H 4.36 0.01 1 448 62 62 GLN HB2 H 2.10 0.01 2 449 62 62 GLN HB3 H 2.02 0.01 2 450 62 62 GLN C C 176.01 0.05 1 451 62 62 GLN CA C 55.83 0.05 1 452 62 62 GLN CB C 29.51 0.05 1 453 62 62 GLN N N 121.92 0.03 1 454 63 63 VAL H H 8.36 0.01 1 455 63 63 VAL HA H 4.20 0.01 1 456 63 63 VAL HB H 2.10 0.01 1 457 63 63 VAL C C 176.39 0.05 1 458 63 63 VAL CA C 62.44 0.05 1 459 63 63 VAL CB C 32.74 0.05 1 460 63 63 VAL N N 122.10 0.03 1 461 64 64 THR H H 8.38 0.01 1 462 64 64 THR HA H 4.38 0.01 1 463 64 64 THR HB H 4.19 0.01 1 464 64 64 THR C C 174.08 0.05 1 465 64 64 THR CA C 61.82 0.05 1 466 64 64 THR CB C 69.93 0.05 1 467 64 64 THR N N 118.24 0.03 1 468 65 65 ASN H H 8.60 0.01 1 469 65 65 ASN HA H 4.52 0.01 1 470 65 65 ASN HB2 H 2.83 0.01 2 471 65 65 ASN HB3 H 2.77 0.01 2 472 65 65 ASN C C 175.28 0.05 1 473 65 65 ASN CA C 53.15 0.05 1 474 65 65 ASN CB C 38.91 0.05 1 475 65 65 ASN N N 121.95 0.03 1 476 66 66 VAL H H 8.31 0.01 1 477 66 66 VAL HA H 4.13 0.01 1 478 66 66 VAL HB H 2.13 0.01 1 479 66 66 VAL C C 176.91 0.05 1 480 66 66 VAL CA C 62.70 0.05 1 481 66 66 VAL CB C 32.51 0.05 1 482 66 66 VAL N N 120.86 0.03 1 483 67 67 GLY H H 8.62 0.01 1 484 67 67 GLY HA2 H 3.98 0.01 1 485 67 67 GLY HA3 H 3.98 0.01 1 486 67 67 GLY C C 174.70 0.05 1 487 67 67 GLY CA C 45.36 0.05 1 488 67 67 GLY N N 112.76 0.03 1 489 68 68 GLY H H 8.29 0.01 1 490 68 68 GLY HA2 H 3.97 0.01 1 491 68 68 GLY HA3 H 3.97 0.01 1 492 68 68 GLY C C 173.76 0.05 1 493 68 68 GLY CA C 45.03 0.05 1 494 68 68 GLY N N 108.94 0.03 1 495 69 69 ALA H H 8.23 0.01 1 496 69 69 ALA HA H 4.36 0.01 1 497 69 69 ALA HB H 1.39 0.01 1 498 69 69 ALA C C 177.70 0.05 1 499 69 69 ALA CA C 52.32 0.05 1 500 69 69 ALA CB C 19.31 0.05 1 501 69 69 ALA N N 123.86 0.03 1 502 70 70 VAL H H 8.29 0.01 1 503 70 70 VAL HA H 4.11 0.01 1 504 70 70 VAL HB H 2.03 0.01 1 505 70 70 VAL C C 176.38 0.05 1 506 70 70 VAL CA C 62.44 0.05 1 507 70 70 VAL CB C 32.77 0.05 1 508 70 70 VAL N N 120.64 0.03 1 509 71 71 VAL H H 8.47 0.01 1 510 71 71 VAL HA H 4.23 0.01 1 511 71 71 VAL HB H 2.09 0.01 1 512 71 71 VAL C C 176.33 0.05 1 513 71 71 VAL CA C 62.17 0.05 1 514 71 71 VAL CB C 32.79 0.05 1 515 71 71 VAL N N 125.57 0.03 1 516 72 72 THR H H 8.38 0.01 1 517 72 72 THR HA H 4.38 0.01 1 518 72 72 THR HB H 4.22 0.01 1 519 72 72 THR C C 174.95 0.05 1 520 72 72 THR CA C 61.90 0.05 1 521 72 72 THR CB C 69.92 0.05 1 522 72 72 THR N N 118.80 0.03 1 523 73 73 GLY H H 8.51 0.01 1 524 73 73 GLY HA2 H 3.99 0.01 1 525 73 73 GLY HA3 H 3.99 0.01 1 526 73 73 GLY C C 174.05 0.05 1 527 73 73 GLY CA C 45.29 0.05 1 528 73 73 GLY N N 111.46 0.03 1 529 74 74 VAL H H 8.15 0.01 1 530 74 74 VAL HA H 4.20 0.01 1 531 74 74 VAL HB H 2.10 0.01 1 532 74 74 VAL C C 176.60 0.05 1 533 74 74 VAL CA C 62.39 0.05 1 534 74 74 VAL CB C 32.86 0.05 1 535 74 74 VAL N N 119.63 0.03 1 536 75 75 THR H H 8.37 0.01 1 537 75 75 THR HA H 4.34 0.01 1 538 75 75 THR HB H 4.18 0.01 1 539 75 75 THR C C 174.11 0.05 1 540 75 75 THR CA C 61.99 0.05 1 541 75 75 THR CB C 69.84 0.05 1 542 75 75 THR N N 119.12 0.03 1 543 76 76 ALA H H 8.45 0.01 1 544 76 76 ALA HA H 4.36 0.01 1 545 76 76 ALA HB H 1.38 0.01 1 546 76 76 ALA C C 177.62 0.05 1 547 76 76 ALA CA C 52.47 0.05 1 548 76 76 ALA CB C 19.36 0.05 1 549 76 76 ALA N N 127.54 0.03 1 550 77 77 VAL H H 8.21 0.01 1 551 77 77 VAL HA H 4.06 0.01 1 552 77 77 VAL HB H 2.05 0.01 1 553 77 77 VAL C C 176.06 0.05 1 554 77 77 VAL CA C 62.26 0.05 1 555 77 77 VAL CB C 32.83 0.05 1 556 77 77 VAL N N 120.23 0.03 1 557 78 78 ALA H H 8.48 0.01 1 558 78 78 ALA HA H 4.30 0.01 1 559 78 78 ALA HB H 1.40 0.01 1 560 78 78 ALA C C 177.69 0.05 1 561 78 78 ALA CA C 52.52 0.05 1 562 78 78 ALA CB C 19.23 0.05 1 563 78 78 ALA N N 128.29 0.03 1 564 79 79 GLN H H 8.46 0.01 1 565 79 79 GLN HA H 4.30 0.01 1 566 79 79 GLN HB2 H 2.11 0.01 2 567 79 79 GLN HB3 H 2.00 0.01 2 568 79 79 GLN C C 176.00 0.05 1 569 79 79 GLN CA C 55.71 0.05 1 570 79 79 GLN CB C 29.60 0.05 1 571 79 79 GLN N N 120.45 0.03 1 572 80 80 LYS H H 8.51 0.01 1 573 80 80 LYS HA H 4.38 0.01 1 574 80 80 LYS HB2 H 1.85 0.01 2 575 80 80 LYS HB3 H 1.79 0.01 2 576 80 80 LYS C C 176.73 0.05 1 577 80 80 LYS CA C 56.47 0.05 1 578 80 80 LYS CB C 33.16 0.05 1 579 80 80 LYS N N 123.40 0.03 1 580 81 81 THR H H 8.36 0.01 1 581 81 81 THR HA H 4.36 0.01 1 582 81 81 THR HB H 4.19 0.01 1 583 81 81 THR C C 174.48 0.05 1 584 81 81 THR CA C 61.95 0.05 1 585 81 81 THR CB C 69.93 0.05 1 586 81 81 THR N N 117.05 0.03 1 587 82 82 VAL H H 8.37 0.01 1 588 82 82 VAL HA H 4.14 0.01 1 589 82 82 VAL HB H 2.08 0.01 1 590 82 82 VAL C C 176.19 0.05 1 591 82 82 VAL CA C 62.32 0.05 1 592 82 82 VAL CB C 32.89 0.05 1 593 82 82 VAL N N 123.22 0.03 1 594 83 83 GLU H H 8.65 0.01 1 595 83 83 GLU HA H 4.29 0.01 1 596 83 83 GLU HB2 H 2.04 0.01 2 597 83 83 GLU HB3 H 1.97 0.01 2 598 83 83 GLU C C 177.07 0.05 1 599 83 83 GLU CA C 56.83 0.05 1 600 83 83 GLU CB C 30.28 0.05 1 601 83 83 GLU N N 125.45 0.03 1 602 84 84 GLY H H 8.58 0.01 1 603 84 84 GLY HA2 H 3.98 0.01 1 604 84 84 GLY HA3 H 3.98 0.01 1 605 84 84 GLY C C 174.18 0.05 1 606 84 84 GLY CA C 45.28 0.05 1 607 84 84 GLY N N 110.86 0.03 1 608 85 85 ALA H H 8.33 0.01 1 609 85 85 ALA HA H 4.33 0.01 1 610 85 85 ALA HB H 1.43 0.01 1 611 85 85 ALA C C 178.55 0.05 1 612 85 85 ALA CA C 52.91 0.05 1 613 85 85 ALA CB C 19.23 0.05 1 614 85 85 ALA N N 124.05 0.03 1 615 86 86 GLY H H 8.56 0.01 1 616 86 86 GLY HA2 H 3.99 0.01 1 617 86 86 GLY HA3 H 3.99 0.01 1 618 86 86 GLY C C 174.34 0.05 1 619 86 86 GLY CA C 45.31 0.05 1 620 86 86 GLY N N 108.31 0.03 1 621 87 87 SER H H 8.21 0.01 1 622 87 87 SER HA H 4.48 0.01 1 623 87 87 SER HB2 H 3.88 0.01 2 624 87 87 SER HB3 H 3.88 0.01 2 625 87 87 SER C C 174.76 0.05 1 626 87 87 SER CA C 58.39 0.05 1 627 87 87 SER CB C 63.86 0.05 1 628 87 87 SER N N 115.81 0.03 1 629 88 88 ILE H H 8.27 0.01 1 630 88 88 ILE HA H 4.18 0.01 1 631 88 88 ILE HB H 1.88 0.01 1 632 88 88 ILE C C 176.33 0.05 1 633 88 88 ILE CA C 61.36 0.05 1 634 88 88 ILE CB C 38.68 0.05 1 635 88 88 ILE N N 122.91 0.03 1 636 89 89 ALA H H 8.42 0.01 1 637 89 89 ALA HA H 4.27 0.01 1 638 89 89 ALA HB H 1.38 0.01 1 639 89 89 ALA C C 177.62 0.05 1 640 89 89 ALA CA C 52.63 0.05 1 641 89 89 ALA CB C 19.10 0.05 1 642 89 89 ALA N N 128.17 0.03 1 643 90 90 ALA H H 8.28 0.01 1 644 90 90 ALA HA H 4.27 0.01 1 645 90 90 ALA HB H 1.41 0.01 1 646 90 90 ALA C C 177.78 0.05 1 647 90 90 ALA CA C 52.50 0.05 1 648 90 90 ALA CB C 19.22 0.05 1 649 90 90 ALA N N 123.45 0.03 1 650 91 91 ALA H H 8.36 0.01 1 651 91 91 ALA HA H 4.37 0.01 1 652 91 91 ALA HB H 1.44 0.01 1 653 91 91 ALA C C 178.18 0.05 1 654 91 91 ALA CA C 52.67 0.05 1 655 91 91 ALA CB C 19.18 0.05 1 656 91 91 ALA N N 123.54 0.03 1 657 92 92 THR H H 8.16 0.01 1 658 92 92 THR HA H 4.32 0.01 1 659 92 92 THR HB H 4.23 0.01 1 660 92 92 THR C C 175.20 0.05 1 661 92 92 THR CA C 62.06 0.05 1 662 92 92 THR CB C 69.89 0.05 1 663 92 92 THR N N 112.76 0.03 1 664 93 93 GLY H H 8.38 0.01 1 665 93 93 GLY HA2 H 3.93 0.01 1 666 93 93 GLY HA3 H 3.93 0.01 1 667 93 93 GLY C C 173.65 0.05 1 668 93 93 GLY CA C 45.19 0.05 1 669 93 93 GLY N N 110.82 0.03 1 670 94 94 PHE H H 8.15 0.01 1 671 94 94 PHE HA H 4.62 0.01 1 672 94 94 PHE HB2 H 3.06 0.01 1 673 94 94 PHE HB3 H 3.06 0.01 1 674 94 94 PHE C C 175.51 0.05 1 675 94 94 PHE CA C 57.82 0.05 1 676 94 94 PHE CB C 39.73 0.05 1 677 94 94 PHE N N 120.44 0.03 1 678 95 95 VAL H H 8.12 0.01 1 679 95 95 VAL HA H 4.02 0.01 1 680 95 95 VAL HB H 1.95 0.01 1 681 95 95 VAL C C 175.44 0.05 1 682 95 95 VAL CA C 62.04 0.05 1 683 95 95 VAL CB C 33.14 0.05 1 684 95 95 VAL N N 123.94 0.03 1 685 96 96 LYS H H 8.47 0.01 1 686 96 96 LYS HA H 4.23 0.01 1 687 96 96 LYS HB2 H 1.84 0.01 2 688 96 96 LYS HB3 H 1.76 0.01 2 689 96 96 LYS C C 176.54 0.05 1 690 96 96 LYS CA C 56.42 0.05 1 691 96 96 LYS CB C 33.08 0.05 1 692 96 96 LYS N N 126.56 0.03 1 693 97 97 LYS H H 8.54 0.01 1 694 97 97 LYS HA H 4.30 0.01 1 695 97 97 LYS HB2 H 1.81 0.01 2 696 97 97 LYS HB3 H 1.81 0.01 2 697 97 97 LYS C C 176.42 0.05 1 698 97 97 LYS CA C 56.57 0.05 1 699 97 97 LYS CB C 33.18 0.05 1 700 97 97 LYS N N 123.87 0.03 1 701 98 98 ASP H H 8.47 0.01 1 702 98 98 ASP HA H 4.58 0.01 1 703 98 98 ASP HB2 H 2.68 0.01 2 704 98 98 ASP HB3 H 2.68 0.01 2 705 98 98 ASP C C 176.25 0.05 1 706 98 98 ASP CA C 54.49 0.05 1 707 98 98 ASP CB C 41.05 0.05 1 708 98 98 ASP N N 121.32 0.03 1 709 99 99 GLN H H 8.41 0.01 1 710 99 99 GLN HA H 4.33 0.01 1 711 99 99 GLN HB2 H 2.16 0.01 2 712 99 99 GLN HB3 H 2.00 0.01 2 713 99 99 GLN C C 176.08 0.05 1 714 99 99 GLN CA C 55.85 0.05 1 715 99 99 GLN CB C 29.45 0.05 1 716 99 99 GLN N N 120.33 0.03 1 717 100 100 LEU H H 8.36 0.01 1 718 100 100 LEU HA H 4.35 0.01 1 719 100 100 LEU HB2 H 1.72 0.01 2 720 100 100 LEU HB3 H 1.61 0.01 2 721 100 100 LEU C C 178.05 0.05 1 722 100 100 LEU CA C 55.44 0.05 1 723 100 100 LEU CB C 42.24 0.05 1 724 100 100 LEU N N 122.98 0.03 1 725 101 101 GLY H H 8.55 0.01 1 726 101 101 GLY HA2 H 3.96 0.01 1 727 101 101 GLY HA3 H 3.96 0.01 1 728 101 101 GLY C C 174.14 0.05 1 729 101 101 GLY CA C 45.32 0.05 1 730 101 101 GLY N N 109.93 0.03 1 731 102 102 LYS H H 8.27 0.01 1 732 102 102 LYS HA H 4.34 0.01 1 733 102 102 LYS HB2 H 1.82 0.01 2 734 102 102 LYS HB3 H 1.78 0.01 2 735 102 102 LYS C C 176.52 0.05 1 736 102 102 LYS CA C 56.27 0.05 1 737 102 102 LYS CB C 33.16 0.05 1 738 102 102 LYS N N 120.87 0.03 1 739 103 103 ASN H H 8.69 0.01 1 740 103 103 ASN HA H 4.71 0.01 1 741 103 103 ASN HB2 H 2.85 0.01 2 742 103 103 ASN HB3 H 2.78 0.01 2 743 103 103 ASN C C 175.33 0.05 1 744 103 103 ASN CA C 53.35 0.05 1 745 103 103 ASN CB C 38.76 0.05 1 746 103 103 ASN N N 120.08 0.03 1 747 104 104 GLU H H 8.54 0.01 1 748 104 104 GLU HA H 4.31 0.01 1 749 104 104 GLU HB2 H 2.10 0.01 2 750 104 104 GLU HB3 H 1.94 0.01 2 751 104 104 GLU C C 176.57 0.05 1 752 104 104 GLU CA C 56.59 0.05 1 753 104 104 GLU CB C 30.28 0.05 1 754 104 104 GLU N N 121.53 0.03 1 755 105 105 GLU H H 8.53 0.01 1 756 105 105 GLU HA H 4.27 0.01 1 757 105 105 GLU HB2 H 2.07 0.01 2 758 105 105 GLU HB3 H 1.95 0.01 2 759 105 105 GLU C C 177.07 0.05 1 760 105 105 GLU CA C 56.91 0.05 1 761 105 105 GLU CB C 30.27 0.05 1 762 105 105 GLU N N 122.07 0.03 1 763 106 106 GLY H H 8.50 0.01 1 764 106 106 GLY HA2 H 3.95 0.01 1 765 106 106 GLY HA3 H 3.95 0.01 1 766 106 106 GLY C C 173.46 0.05 1 767 106 106 GLY CA C 45.01 0.05 1 768 106 106 GLY N N 110.34 0.03 1 769 107 107 ALA H H 8.20 0.01 1 770 107 107 ALA HA H 4.61 0.01 1 771 107 107 ALA HB H 1.38 0.01 1 772 107 107 ALA C C 175.60 0.05 1 773 107 107 ALA CA C 50.52 0.05 1 774 107 107 ALA CB C 18.20 0.05 1 775 107 107 ALA N N 125.05 0.03 1 776 108 108 PRO HA H 4.44 0.01 1 777 108 108 PRO HB2 H 2.33 0.01 2 778 108 108 PRO HB3 H 1.92 0.01 2 779 108 108 PRO C C 177.09 0.05 1 780 108 108 PRO CA C 63.09 0.05 1 781 108 108 PRO CB C 32.05 0.05 1 782 108 108 PRO N N 136.10 0.03 1 783 109 109 GLN H H 8.67 0.01 1 784 109 109 GLN HA H 4.36 0.01 1 785 109 109 GLN HB2 H 2.12 0.01 2 786 109 109 GLN HB3 H 2.00 0.01 2 787 109 109 GLN C C 176.06 0.05 1 788 109 109 GLN CA C 55.70 0.05 1 789 109 109 GLN CB C 29.71 0.05 1 790 109 109 GLN N N 121.33 0.03 1 791 110 110 GLU H H 8.60 0.01 1 792 110 110 GLU HA H 4.31 0.01 1 793 110 110 GLU HB2 H 2.07 0.01 2 794 110 110 GLU HB3 H 2.03 0.01 2 795 110 110 GLU C C 176.88 0.05 1 796 110 110 GLU CA C 56.70 0.05 1 797 110 110 GLU CB C 30.50 0.05 1 798 110 110 GLU N N 122.66 0.03 1 799 111 111 GLY H H 8.56 0.01 1 800 111 111 GLY HA2 H 3.96 0.01 1 801 111 111 GLY HA3 H 3.96 0.01 1 802 111 111 GLY C C 173.81 0.05 1 803 111 111 GLY CA C 45.24 0.05 1 804 111 111 GLY N N 110.40 0.03 1 805 112 112 ILE H H 8.06 0.01 1 806 112 112 ILE HA H 4.18 0.01 1 807 112 112 ILE HB H 1.88 0.01 1 808 112 112 ILE C C 176.32 0.05 1 809 112 112 ILE CA C 60.95 0.05 1 810 112 112 ILE CB C 38.67 0.05 1 811 112 112 ILE N N 120.27 0.03 1 812 113 113 LEU H H 8.48 0.01 1 813 113 113 LEU HA H 4.41 0.01 1 814 113 113 LEU HB2 H 1.64 0.01 2 815 113 113 LEU HB3 H 1.64 0.01 2 816 113 113 LEU C C 177.20 0.05 1 817 113 113 LEU CA C 55.02 0.05 1 818 113 113 LEU CB C 42.36 0.05 1 819 113 113 LEU N N 127.13 0.03 1 820 114 114 GLU H H 8.49 0.01 1 821 114 114 GLU HA H 4.26 0.01 1 822 114 114 GLU HB2 H 2.04 0.01 2 823 114 114 GLU HB3 H 1.91 0.01 2 824 114 114 GLU C C 175.91 0.05 1 825 114 114 GLU CA C 56.48 0.05 1 826 114 114 GLU CB C 30.57 0.05 1 827 114 114 GLU N N 122.37 0.03 1 828 115 115 ASP H H 8.43 0.01 1 829 115 115 ASP HA H 4.58 0.01 1 830 115 115 ASP HB2 H 2.68 0.01 2 831 115 115 ASP HB3 H 2.57 0.01 2 832 115 115 ASP C C 175.82 0.05 1 833 115 115 ASP CA C 54.25 0.05 1 834 115 115 ASP CB C 41.15 0.05 1 835 115 115 ASP N N 121.53 0.03 1 836 116 116 MET H H 8.33 0.01 1 837 116 116 MET HA H 4.80 0.01 1 838 116 116 MET HB2 H 2.66 0.01 2 839 116 116 MET HB3 H 2.58 0.01 2 840 116 116 MET C C 174.10 0.05 1 841 116 116 MET CA C 53.21 0.05 1 842 116 116 MET CB C 31.98 0.05 1 843 116 116 MET N N 122.12 0.03 1 844 117 117 PRO HA H 4.29 0.01 1 845 117 117 PRO HB2 H 2.30 0.01 2 846 117 117 PRO HB3 H 1.89 0.01 2 847 117 117 PRO C C 176.75 0.05 1 848 117 117 PRO CA C 62.96 0.05 1 849 117 117 PRO CB C 32.12 0.05 1 850 117 117 PRO N N 137.56 0.03 1 851 118 118 VAL H H 8.38 0.01 1 852 118 118 VAL HA H 4.08 0.01 1 853 118 118 VAL HB H 2.02 0.01 1 854 118 118 VAL C C 175.79 0.05 1 855 118 118 VAL CA C 61.95 0.05 1 856 118 118 VAL CB C 32.99 0.05 1 857 118 118 VAL N N 121.01 0.03 1 858 119 119 ASP H H 8.60 0.01 1 859 119 119 ASP HA H 4.89 0.01 1 860 119 119 ASP HB2 H 2.79 0.01 2 861 119 119 ASP HB3 H 2.54 0.01 2 862 119 119 ASP C C 174.75 0.05 1 863 119 119 ASP CA C 52.09 0.05 1 864 119 119 ASP CB C 41.09 0.05 1 865 119 119 ASP N N 126.10 0.03 1 866 120 120 PRO HA H 4.33 0.01 1 867 120 120 PRO HB2 H 2.26 0.01 2 868 120 120 PRO HB3 H 1.96 0.01 2 869 120 120 PRO C C 176.96 0.05 1 870 120 120 PRO CA C 63.53 0.05 1 871 120 120 PRO CB C 32.16 0.05 1 872 120 120 PRO N N 136.63 0.03 1 873 121 121 ASP H H 8.45 0.01 1 874 121 121 ASP HA H 4.61 0.01 1 875 121 121 ASP HB2 H 2.75 0.01 2 876 121 121 ASP HB3 H 2.60 0.01 2 877 121 121 ASP C C 176.20 0.05 1 878 121 121 ASP CA C 54.57 0.05 1 879 121 121 ASP CB C 40.89 0.05 1 880 121 121 ASP N N 119.34 0.03 1 881 122 122 ASN H H 8.16 0.01 1 882 122 122 ASN HA H 4.69 0.01 1 883 122 122 ASN HB2 H 2.84 0.01 2 884 122 122 ASN HB3 H 2.74 0.01 2 885 122 122 ASN C C 175.44 0.05 1 886 122 122 ASN CA C 53.49 0.05 1 887 122 122 ASN CB C 39.35 0.05 1 888 122 122 ASN N N 119.22 0.03 1 889 123 123 GLU H H 8.45 0.01 1 890 123 123 GLU HA H 4.22 0.01 1 891 123 123 GLU HB2 H 2.03 0.01 2 892 123 123 GLU HB3 H 1.94 0.01 2 893 123 123 GLU C C 176.13 0.05 1 894 123 123 GLU CA C 56.88 0.05 1 895 123 123 GLU CB C 30.11 0.05 1 896 123 123 GLU N N 121.91 0.03 1 897 124 124 ALA H H 8.29 0.01 1 898 124 124 ALA HA H 4.29 0.01 1 899 124 124 ALA HB H 1.32 0.01 1 900 124 124 ALA C C 177.26 0.05 1 901 124 124 ALA CA C 52.34 0.05 1 902 124 124 ALA CB C 19.19 0.05 1 903 124 124 ALA N N 124.48 0.03 1 904 125 125 TYR H H 8.09 0.01 1 905 125 125 TYR HA H 4.52 0.01 1 906 125 125 TYR HB2 H 2.99 0.01 2 907 125 125 TYR HB3 H 2.99 0.01 2 908 125 125 TYR C C 175.37 0.05 1 909 125 125 TYR CA C 57.80 0.05 1 910 125 125 TYR CB C 39.01 0.05 1 911 125 125 TYR N N 120.11 0.03 1 912 126 126 GLU H H 8.18 0.01 1 913 126 126 GLU HA H 4.26 0.01 1 914 126 126 GLU HB2 H 1.92 0.01 2 915 126 126 GLU HB3 H 1.83 0.01 2 916 126 126 GLU C C 175.43 0.05 1 917 126 126 GLU CA C 55.65 0.05 1 918 126 126 GLU CB C 30.76 0.05 1 919 126 126 GLU N N 123.97 0.03 1 920 127 127 MET H H 8.49 0.01 1 921 127 127 MET HA H 4.69 0.01 1 922 127 127 MET HB2 H 2.03 0.01 2 923 127 127 MET HB3 H 2.03 0.01 2 924 127 127 MET C C 174.28 0.05 1 925 127 127 MET CA C 53.38 0.05 1 926 127 127 MET CB C 32.31 0.05 1 927 127 127 MET N N 124.02 0.03 1 928 128 128 PRO HA H 4.45 0.01 1 929 128 128 PRO HB2 H 2.32 0.01 2 930 128 128 PRO HB3 H 1.93 0.01 2 931 128 128 PRO C C 176.92 0.05 1 932 128 128 PRO CA C 63.07 0.05 1 933 128 128 PRO CB C 32.25 0.05 1 934 128 128 PRO N N 137.87 0.03 1 935 129 129 SER H H 8.55 0.01 1 936 129 129 SER HA H 4.43 0.01 1 937 129 129 SER HB2 H 3.84 0.01 2 938 129 129 SER HB3 H 3.84 0.01 2 939 129 129 SER C C 174.84 0.05 1 940 129 129 SER CA C 58.30 0.05 1 941 129 129 SER CB C 63.89 0.05 1 942 129 129 SER N N 116.89 0.03 1 943 130 130 GLU H H 8.65 0.01 1 944 130 130 GLU HA H 4.32 0.01 1 945 130 130 GLU HB2 H 2.09 0.01 2 946 130 130 GLU HB3 H 1.95 0.01 2 947 130 130 GLU C C 176.56 0.05 1 948 130 130 GLU CA C 56.56 0.05 1 949 130 130 GLU CB C 30.35 0.05 1 950 130 130 GLU N N 123.29 0.03 1 951 131 131 GLU H H 8.53 0.01 1 952 131 131 GLU HA H 4.26 0.01 1 953 131 131 GLU HB2 H 2.07 0.01 2 954 131 131 GLU HB3 H 1.94 0.01 2 955 131 131 GLU C C 176.98 0.05 1 956 131 131 GLU CA C 56.89 0.05 1 957 131 131 GLU CB C 30.27 0.05 1 958 131 131 GLU N N 122.08 0.03 1 959 132 132 GLY H H 8.50 0.01 1 960 132 132 GLY HA2 H 3.93 0.01 1 961 132 132 GLY HA3 H 3.93 0.01 1 962 132 132 GLY C C 173.89 0.05 1 963 132 132 GLY CA C 45.19 0.05 1 964 132 132 GLY N N 110.17 0.03 1 965 133 133 TYR H H 8.13 0.01 1 966 133 133 TYR HA H 4.52 0.01 1 967 133 133 TYR HB2 H 3.00 0.01 2 968 133 133 TYR HB3 H 3.00 0.01 2 969 133 133 TYR C C 175.80 0.05 1 970 133 133 TYR CA C 58.21 0.05 1 971 133 133 TYR CB C 38.78 0.05 1 972 133 133 TYR N N 120.40 0.03 1 973 134 134 GLN H H 8.30 0.01 1 974 134 134 GLN HA H 4.27 0.01 1 975 134 134 GLN HB2 H 1.95 0.01 2 976 134 134 GLN HB3 H 1.85 0.01 2 977 134 134 GLN C C 174.91 0.05 1 978 134 134 GLN CA C 55.46 0.05 1 979 134 134 GLN CB C 29.82 0.05 1 980 134 134 GLN N N 122.82 0.03 1 981 135 135 ASP H H 8.30 0.01 1 982 135 135 ASP HA H 4.54 0.01 1 983 135 135 ASP HB2 H 2.66 0.01 2 984 135 135 ASP HB3 H 2.56 0.01 2 985 135 135 ASP C C 175.54 0.05 1 986 135 135 ASP CA C 54.26 0.05 1 987 135 135 ASP CB C 41.16 0.05 1 988 135 135 ASP N N 121.77 0.03 1 989 136 136 TYR H H 8.10 0.01 1 990 136 136 TYR HA H 4.56 0.01 1 991 136 136 TYR HB2 H 2.97 0.01 2 992 136 136 TYR HB3 H 2.97 0.01 2 993 136 136 TYR C C 175.11 0.05 1 994 136 136 TYR CA C 57.59 0.05 1 995 136 136 TYR CB C 39.11 0.05 1 996 136 136 TYR N N 120.61 0.03 1 997 137 137 GLU H H 8.31 0.01 1 998 137 137 GLU HA H 4.55 0.01 1 999 137 137 GLU HB2 H 1.96 0.01 2 1000 137 137 GLU HB3 H 1.84 0.01 2 1001 137 137 GLU C C 173.71 0.05 1 1002 137 137 GLU CA C 53.61 0.05 1 1003 137 137 GLU CB C 30.29 0.05 1 1004 137 137 GLU N N 125.52 0.03 1 1005 138 138 PRO HA H 4.36 0.01 1 1006 138 138 PRO HB2 H 2.32 0.01 2 1007 138 138 PRO HB3 H 1.95 0.01 2 1008 138 138 PRO C C 176.90 0.05 1 1009 138 138 PRO CA C 62.93 0.05 1 1010 138 138 PRO CB C 32.19 0.05 1 1011 138 138 PRO N N 136.89 0.03 1 1012 139 139 GLU H H 8.54 0.01 1 1013 139 139 GLU HA H 4.23 0.01 1 1014 139 139 GLU HB2 H 2.09 0.01 2 1015 139 139 GLU HB3 H 1.96 0.01 2 1016 139 139 GLU C C 175.44 0.05 1 1017 139 139 GLU CA C 56.59 0.05 1 1018 139 139 GLU CB C 30.30 0.05 1 1019 139 139 GLU N N 121.69 0.03 1 1020 140 140 ALA H H 8.07 0.01 1 1021 140 140 ALA HA H 4.11 0.01 1 1022 140 140 ALA HB H 1.34 0.01 1 1023 140 140 ALA CA C 53.84 0.05 1 1024 140 140 ALA CB C 20.19 0.05 1 1025 140 140 ALA N N 131.04 0.03 1 stop_ save_