data_19872 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the apo form of human glutaredoxin 5 ; _BMRB_accession_number 19872 _BMRB_flat_file_name bmr19872.str _Entry_type original _Submission_date 2014-03-25 _Accession_date 2014-03-25 _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 Banci Lucia . . 2 Brancaccio Diego . . 3 Ciofi-Baffoni Simone . . 4 'Del Conte' Rebecca . . 5 Gadepalli Ravisekhar . . 6 Mikolajczyk Maciej . . 7 Neri Sara . . 8 Piccioli Mario . . 9 Winkelmann Julia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 523 "13C chemical shifts" 484 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-05 original BMRB . stop_ _Original_release_date 2015-06-05 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; [2Fe-2S] cluster transfer in iron-sulfur protein biogenesis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24733926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Brancaccio Diego . . 3 Ciofi-Baffoni Simone . . 4 'Del Conte' Rebecca . . 5 Gadepalli Ravisekhar . . 6 Mikolajczyk Maciej . . 7 Neri Sara . . 8 Piccioli Mario . . 9 Winkelmann Julia . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 111 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6203 _Page_last 6208 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'apo form of human glutaredoxin 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apo glutaredoxin 5' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 13171.006 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSFTMGAGGGGSAEQLDALV KKDKVVVFLKGTPEQPQCGF SNAVVQILRLHGVRDYAAYN VLDDPELRQGIKDYSNWPTI PQVYLNGEFVGGCDILLQMH QNGDLVEELKKLGIHSALLD E ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 PHE 4 4 THR 5 5 MET 6 35 GLY 7 36 ALA 8 37 GLY 9 38 GLY 10 39 GLY 11 40 GLY 12 41 SER 13 42 ALA 14 43 GLU 15 44 GLN 16 45 LEU 17 46 ASP 18 47 ALA 19 48 LEU 20 49 VAL 21 50 LYS 22 51 LYS 23 52 ASP 24 53 LYS 25 54 VAL 26 55 VAL 27 56 VAL 28 57 PHE 29 58 LEU 30 59 LYS 31 60 GLY 32 61 THR 33 62 PRO 34 63 GLU 35 64 GLN 36 65 PRO 37 66 GLN 38 67 CYS 39 68 GLY 40 69 PHE 41 70 SER 42 71 ASN 43 72 ALA 44 73 VAL 45 74 VAL 46 75 GLN 47 76 ILE 48 77 LEU 49 78 ARG 50 79 LEU 51 80 HIS 52 81 GLY 53 82 VAL 54 83 ARG 55 84 ASP 56 85 TYR 57 86 ALA 58 87 ALA 59 88 TYR 60 89 ASN 61 90 VAL 62 91 LEU 63 92 ASP 64 93 ASP 65 94 PRO 66 95 GLU 67 96 LEU 68 97 ARG 69 98 GLN 70 99 GLY 71 100 ILE 72 101 LYS 73 102 ASP 74 103 TYR 75 104 SER 76 105 ASN 77 106 TRP 78 107 PRO 79 108 THR 80 109 ILE 81 110 PRO 82 111 GLN 83 112 VAL 84 113 TYR 85 114 LEU 86 115 ASN 87 116 GLY 88 117 GLU 89 118 PHE 90 119 VAL 91 120 GLY 92 121 GLY 93 122 CYS 94 123 ASP 95 124 ILE 96 125 LEU 97 126 LEU 98 127 GLN 99 128 MET 100 129 HIS 101 130 GLN 102 131 ASN 103 132 GLY 104 133 ASP 105 134 LEU 106 135 VAL 107 136 GLU 108 137 GLU 109 138 LEU 110 139 LYS 111 140 LYS 112 141 LEU 113 142 GLY 114 143 ILE 115 144 HIS 116 145 SER 117 146 ALA 118 147 LEU 119 148 LEU 120 149 ASP 121 150 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 PDB 2MMZ "Solution Structure Of The Apo Form Of Human Glutaredoxin 5" 100.00 121 100.00 100.00 4.15e-82 PDB 2WUL "Crystal Structure Of The Human Glutaredoxin 5 With Bound Glutathione In An Fes Cluster" 97.52 118 99.15 100.00 4.65e-79 DBJ BAF02301 "glutaredoxin 5 homolog [Homo sapiens]" 95.87 157 100.00 100.00 1.11e-77 EMBL CAD62364 "unnamed protein product [Homo sapiens]" 95.87 176 100.00 100.00 7.06e-78 GB AAH23528 "Glutaredoxin 5 [Homo sapiens]" 95.87 157 99.14 99.14 4.01e-77 GB AAH47680 "Glutaredoxin 5 [Homo sapiens]" 95.87 157 100.00 100.00 1.11e-77 GB AAZ30731 "glutaredoxin 5 [Homo sapiens]" 95.87 157 99.14 99.14 4.01e-77 GB EAW81607 "glutaredoxin 5 homolog (S. cerevisiae), isoform CRA_b [Homo sapiens]" 95.87 157 100.00 100.00 1.11e-77 GB EDL18773 "glutaredoxin 5 homolog (S. cerevisiae), isoform CRA_a, partial [Mus musculus]" 57.85 137 97.14 98.57 2.35e-41 REF NP_001252564 "glutaredoxin-related protein 5, mitochondrial [Macaca mulatta]" 95.87 157 100.00 100.00 9.72e-78 REF NP_057501 "glutaredoxin-related protein 5, mitochondrial precursor [Homo sapiens]" 95.87 157 100.00 100.00 1.11e-77 REF XP_001154482 "PREDICTED: glutaredoxin-related protein 5, mitochondrial [Pan troglodytes]" 95.87 157 100.00 100.00 1.11e-77 REF XP_002754322 "PREDICTED: glutaredoxin-related protein 5, mitochondrial [Callithrix jacchus]" 95.87 157 100.00 100.00 8.71e-78 REF XP_002825117 "PREDICTED: glutaredoxin-related protein 5, mitochondrial [Pongo abelii]" 95.87 157 100.00 100.00 5.88e-78 SP Q86SX6 "RecName: Full=Glutaredoxin-related protein 5, mitochondrial; AltName: Full=Monothiol glutaredoxin-5; Flags: Precursor" 95.87 157 100.00 100.00 1.11e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli BL21(DE3)GOLD pETG-20A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 1 '[U-100% 15N]' 'potassium phosphate' 50 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' GSH 5 mM . . 'natural abundance' D2O 90 % . . 'natural abundance' H2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 1 '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' GSH 5 mM . . 'natural abundance' D2O 90 % . . 'natural abundance' H2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ATNOS _Saveframe_category software _Name ATNOS _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CANDID _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'automatic noes assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'backbone torsion angle calculation' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address 'Vuister, Sousa da Silva, and Doreleijers' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.8 external indirect . . . 1 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '2D 1H-1H NOESY' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'apo glutaredoxin 5' _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 SER HA H 4.36 0.02 1 2 2 2 SER HB2 H 3.65 0.02 1 3 2 2 SER C C 173.8 0.3 1 4 2 2 SER CA C 58.0 0.3 1 5 2 2 SER CB C 63.1 0.3 1 6 3 3 PHE HA H 4.61 0.02 1 7 3 3 PHE HB2 H 3.01 0.02 2 8 3 3 PHE HB3 H 2.92 0.02 2 9 3 3 PHE HD2 H 7.11 0.02 1 10 3 3 PHE HE2 H 7.18 0.02 1 11 3 3 PHE C C 175.3 0.3 1 12 3 3 PHE CA C 57.3 0.3 1 13 3 3 PHE CB C 39.3 0.3 1 14 3 3 PHE N N 122.0 0.3 1 15 4 4 THR HA H 4.18 0.02 1 16 4 4 THR HB H 3.99 0.02 1 17 4 4 THR HG2 H 1.02 0.02 1 18 4 4 THR C C 173.8 0.3 1 19 4 4 THR CA C 61.0 0.3 1 20 4 4 THR CB C 69.3 0.3 1 21 4 4 THR CG2 C 20.8 0.3 1 22 4 4 THR N N 116.9 0.3 1 23 5 5 MET HA H 4.30 0.02 1 24 5 5 MET HB2 H 2.43 0.02 2 25 5 5 MET HB3 H 1.89 0.02 2 26 5 5 MET HG2 H 2.42 0.02 2 27 5 5 MET HG3 H 1.88 0.02 2 28 5 5 MET HE H 1.95 0.02 1 29 5 5 MET C C 176.4 0.3 1 30 5 5 MET CA C 55.1 0.3 1 31 5 5 MET CB C 31.8 0.3 1 32 5 5 MET CG C 31.9 0.3 1 33 5 5 MET CE C 16.5 0.3 1 34 5 5 MET N N 123.1 0.3 1 35 35 6 GLY HA2 H 3.82 0.02 1 36 35 6 GLY C C 173.7 0.3 1 37 35 6 GLY CA C 44.9 0.3 1 38 35 6 GLY N N 110.2 0.3 1 39 36 7 ALA HA H 4.23 0.02 1 40 36 7 ALA HB H 1.27 0.02 1 41 36 7 ALA C C 178.1 0.3 1 42 36 7 ALA CA C 52.0 0.3 1 43 36 7 ALA CB C 18.7 0.3 1 44 36 7 ALA N N 123.6 0.3 1 45 37 8 GLY HA2 H 3.82 0.02 1 46 37 8 GLY C C 174.5 0.3 1 47 37 8 GLY CA C 44.8 0.3 1 48 37 8 GLY N N 108.2 0.3 1 49 38 9 GLY HA2 H 3.86 0.02 1 50 38 9 GLY C C 174.5 0.3 1 51 38 9 GLY CA C 44.7 0.3 1 52 38 9 GLY N N 108.2 0.3 1 53 39 10 GLY HA2 H 3.82 0.02 1 54 39 10 GLY C C 174.1 0.3 1 55 39 10 GLY CA C 44.8 0.3 1 56 39 10 GLY N N 108.6 0.3 1 57 40 11 GLY HA2 H 3.77 0.02 1 58 40 11 GLY C C 174.1 0.3 1 59 40 11 GLY CA C 44.7 0.3 1 60 40 11 GLY N N 107.7 0.3 1 61 41 12 SER HA H 4.22 0.02 1 62 41 12 SER HB2 H 3.89 0.02 2 63 41 12 SER HB3 H 3.80 0.02 2 64 41 12 SER C C 174.8 0.3 1 65 41 12 SER CA C 58.4 0.3 1 66 41 12 SER CB C 63.1 0.3 1 67 41 12 SER N N 115.7 0.3 1 68 42 13 ALA HA H 3.95 0.02 1 69 42 13 ALA HB H 1.40 0.02 1 70 42 13 ALA C C 178.8 0.3 1 71 42 13 ALA CA C 54.7 0.3 1 72 42 13 ALA CB C 17.7 0.3 1 73 42 13 ALA N N 124.7 0.3 1 74 43 14 GLU HA H 3.95 0.02 1 75 43 14 GLU HB2 H 1.85 0.02 1 76 43 14 GLU HG2 H 2.21 0.02 1 77 43 14 GLU C C 178.8 0.3 1 78 43 14 GLU CA C 58.5 0.3 1 79 43 14 GLU CB C 28.6 0.3 1 80 43 14 GLU CG C 36.2 0.3 1 81 43 14 GLU N N 116.7 0.3 1 82 44 15 GLN HA H 3.97 0.02 1 83 44 15 GLN HB2 H 1.93 0.02 1 84 44 15 GLN HG2 H 2.22 0.02 2 85 44 15 GLN HG3 H 2.13 0.02 2 86 44 15 GLN HE21 H 7.24 0.02 1 87 44 15 GLN HE22 H 6.72 0.02 1 88 44 15 GLN C C 178.2 0.3 1 89 44 15 GLN CA C 57.6 0.3 1 90 44 15 GLN CB C 28.1 0.3 1 91 44 15 GLN CG C 33.4 0.3 1 92 44 15 GLN N N 119.4 0.3 1 93 45 16 LEU HA H 3.57 0.02 1 94 45 16 LEU HB2 H 1.13 0.02 2 95 45 16 LEU HB3 H 0.35 0.02 2 96 45 16 LEU HG H 1.25 0.02 1 97 45 16 LEU HD1 H 0.32 0.02 1 98 45 16 LEU HD2 H 0.36 0.02 1 99 45 16 LEU C C 177.3 0.3 1 100 45 16 LEU CA C 56.5 0.3 1 101 45 16 LEU CB C 39.5 0.3 1 102 45 16 LEU CG C 26.7 0.3 1 103 45 16 LEU CD1 C 24.9 0.3 1 104 45 16 LEU CD2 C 22.8 0.3 1 105 45 16 LEU N N 121.7 0.3 1 106 46 17 ASP HA H 4.03 0.02 1 107 46 17 ASP HB2 H 2.80 0.02 2 108 46 17 ASP HB3 H 2.48 0.02 2 109 46 17 ASP C C 176.8 0.3 1 110 46 17 ASP CA C 56.6 0.3 1 111 46 17 ASP CB C 41.6 0.3 1 112 46 17 ASP N N 118.0 0.3 1 113 47 18 ALA HA H 3.89 0.02 1 114 47 18 ALA HB H 1.31 0.02 1 115 47 18 ALA C C 180.3 0.3 1 116 47 18 ALA CA C 54.0 0.3 1 117 47 18 ALA CB C 17.4 0.3 1 118 47 18 ALA N N 116.1 0.3 1 119 48 19 LEU HA H 3.84 0.02 1 120 48 19 LEU HB2 H 1.58 0.02 2 121 48 19 LEU HB3 H 1.25 0.02 2 122 48 19 LEU HG H 1.46 0.02 1 123 48 19 LEU HD2 H 0.32 0.02 1 124 48 19 LEU C C 180.1 0.3 1 125 48 19 LEU CA C 57.4 0.3 1 126 48 19 LEU CB C 41.9 0.3 1 127 48 19 LEU CG C 25.8 0.3 1 128 48 19 LEU CD1 C 24.0 0.3 1 129 48 19 LEU CD2 C 22.7 0.3 1 130 48 19 LEU N N 117.8 0.3 1 131 49 20 VAL HA H 3.88 0.02 1 132 49 20 VAL HB H 1.79 0.02 1 133 49 20 VAL HG1 H 0.22 0.02 1 134 49 20 VAL HG2 H 0.72 0.02 1 135 49 20 VAL C C 176.0 0.3 1 136 49 20 VAL CA C 64.2 0.3 1 137 49 20 VAL CB C 31.0 0.3 1 138 49 20 VAL CG1 C 20.2 0.3 1 139 49 20 VAL CG2 C 19.0 0.3 1 140 49 20 VAL N N 112.1 0.3 1 141 50 21 LYS HA H 4.16 0.02 1 142 50 21 LYS HB2 H 1.80 0.02 2 143 50 21 LYS HB3 H 1.59 0.02 2 144 50 21 LYS HG2 H 1.36 0.02 1 145 50 21 LYS HD2 H 1.52 0.02 2 146 50 21 LYS HD3 H 1.45 0.02 2 147 50 21 LYS HE2 H 2.92 0.02 2 148 50 21 LYS HE3 H 2.86 0.02 2 149 50 21 LYS C C 177.9 0.3 1 150 50 21 LYS CA C 56.2 0.3 1 151 50 21 LYS CB C 32.4 0.3 1 152 50 21 LYS CG C 26.5 0.3 1 153 50 21 LYS CD C 28.7 0.3 1 154 50 21 LYS CE C 42.0 0.3 1 155 50 21 LYS N N 115.4 0.3 1 156 51 22 LYS HA H 3.92 0.02 1 157 51 22 LYS HB2 H 1.87 0.02 2 158 51 22 LYS HB3 H 1.75 0.02 2 159 51 22 LYS HG2 H 1.45 0.02 2 160 51 22 LYS HG3 H 1.37 0.02 2 161 51 22 LYS HD2 H 1.59 0.02 1 162 51 22 LYS HE2 H 2.92 0.02 1 163 51 22 LYS C C 174.7 0.3 1 164 51 22 LYS CA C 58.0 0.3 1 165 51 22 LYS CB C 32.3 0.3 1 166 51 22 LYS CG C 23.4 0.3 1 167 51 22 LYS CD C 29.2 0.3 1 168 51 22 LYS CE C 41.2 0.3 1 169 51 22 LYS N N 119.0 0.3 1 170 52 23 ASP HA H 4.99 0.02 1 171 52 23 ASP HB2 H 2.45 0.02 2 172 52 23 ASP HB3 H 2.04 0.02 2 173 52 23 ASP C C 174.4 0.3 1 174 52 23 ASP CA C 51.8 0.3 1 175 52 23 ASP CB C 45.6 0.3 1 176 52 23 ASP N N 113.4 0.3 1 177 53 24 LYS HA H 4.01 0.02 1 178 53 24 LYS HB2 H 1.98 0.02 2 179 53 24 LYS HB3 H 1.76 0.02 2 180 53 24 LYS HG2 H 1.64 0.02 2 181 53 24 LYS HG3 H 1.52 0.02 2 182 53 24 LYS HD2 H 1.76 0.02 2 183 53 24 LYS HD3 H 1.64 0.02 2 184 53 24 LYS HE2 H 2.99 0.02 1 185 53 24 LYS C C 176.1 0.3 1 186 53 24 LYS CA C 59.8 0.3 1 187 53 24 LYS CB C 32.6 0.3 1 188 53 24 LYS CG C 25.4 0.3 1 189 53 24 LYS CD C 29.0 0.3 1 190 53 24 LYS CE C 41.8 0.3 1 191 53 24 LYS N N 119.5 0.3 1 192 54 25 VAL HA H 4.62 0.02 1 193 54 25 VAL HB H 1.98 0.02 1 194 54 25 VAL HG1 H 0.53 0.02 1 195 54 25 VAL HG2 H 0.64 0.02 1 196 54 25 VAL C C 173.7 0.3 1 197 54 25 VAL CA C 60.9 0.3 1 198 54 25 VAL CB C 32.3 0.3 1 199 54 25 VAL CG1 C 20.1 0.3 1 200 54 25 VAL CG2 C 19.1 0.3 1 201 54 25 VAL N N 117.7 0.3 1 202 55 26 VAL HA H 4.95 0.02 1 203 55 26 VAL HB H 1.94 0.02 1 204 55 26 VAL HG1 H 1.05 0.02 1 205 55 26 VAL HG2 H 0.54 0.02 1 206 55 26 VAL C C 174.4 0.3 1 207 55 26 VAL CA C 60.6 0.3 1 208 55 26 VAL CB C 35.2 0.3 1 209 55 26 VAL CG1 C 22.8 0.3 1 210 55 26 VAL CG2 C 22.2 0.3 1 211 55 26 VAL N N 127.1 0.3 1 212 56 27 VAL HA H 5.44 0.02 1 213 56 27 VAL HB H 1.90 0.02 1 214 56 27 VAL HG1 H 0.74 0.02 1 215 56 27 VAL HG2 H 0.74 0.02 1 216 56 27 VAL C C 173.4 0.3 1 217 56 27 VAL CA C 58.0 0.3 1 218 56 27 VAL CB C 34.8 0.3 1 219 56 27 VAL CG1 C 22.0 0.3 1 220 56 27 VAL CG2 C 20.2 0.3 1 221 56 27 VAL N N 119.7 0.3 1 222 57 28 PHE HA H 5.21 0.02 1 223 57 28 PHE HB2 H 2.91 0.02 2 224 57 28 PHE HB3 H 2.77 0.02 2 225 57 28 PHE HD1 H 7.03 0.02 1 226 57 28 PHE HE1 H 6.64 0.02 1 227 57 28 PHE HZ H 6.37 0.02 1 228 57 28 PHE C C 174.8 0.3 1 229 57 28 PHE CA C 56.4 0.3 1 230 57 28 PHE CB C 40.7 0.3 1 231 57 28 PHE N N 122.4 0.3 1 232 58 29 LEU HA H 4.70 0.02 1 233 58 29 LEU HB2 H 1.70 0.02 2 234 58 29 LEU HB3 H 1.05 0.02 2 235 58 29 LEU HG H 1.41 0.02 1 236 58 29 LEU HD1 H 0.45 0.02 1 237 58 29 LEU HD2 H 0.74 0.02 1 238 58 29 LEU C C 175.5 0.3 1 239 58 29 LEU CA C 53.0 0.3 1 240 58 29 LEU CB C 45.1 0.3 1 241 58 29 LEU CG C 26.0 0.3 1 242 58 29 LEU CD1 C 25.3 0.3 1 243 58 29 LEU CD2 C 22.2 0.3 1 244 58 29 LEU N N 120.5 0.3 1 245 59 30 LYS HA H 4.35 0.02 1 246 59 30 LYS HB2 H 1.97 0.02 2 247 59 30 LYS HB3 H 1.41 0.02 2 248 59 30 LYS HG2 H 0.88 0.02 1 249 59 30 LYS HD2 H 1.92 0.02 2 250 59 30 LYS HD3 H 1.69 0.02 2 251 59 30 LYS HE2 H 2.77 0.02 2 252 59 30 LYS HE3 H 2.67 0.02 2 253 59 30 LYS C C 175.2 0.3 1 254 59 30 LYS CA C 56.1 0.3 1 255 59 30 LYS CB C 31.3 0.3 1 256 59 30 LYS CG C 26.5 0.3 1 257 59 30 LYS CD C 28.7 0.3 1 258 59 30 LYS CE C 41.8 0.3 1 259 59 30 LYS N N 117.8 0.3 1 260 60 31 GLY HA2 H 3.72 0.02 1 261 60 31 GLY C C 170.3 0.3 1 262 60 31 GLY CA C 43.9 0.3 1 263 60 31 GLY N N 114.8 0.3 1 264 61 32 THR HA H 4.74 0.02 1 265 61 32 THR HB H 4.44 0.02 1 266 61 32 THR HG2 H 1.10 0.02 1 267 61 32 THR C C 173.1 0.3 1 268 61 32 THR CA C 57.4 0.3 1 269 61 32 THR CB C 68.8 0.3 1 270 61 32 THR CG2 C 21.4 0.3 1 271 61 32 THR N N 107.8 0.3 1 272 62 33 PRO HA H 3.97 0.02 1 273 62 33 PRO HB2 H 2.33 0.02 2 274 62 33 PRO HB3 H 1.66 0.02 2 275 62 33 PRO HG2 H 1.92 0.02 2 276 62 33 PRO HG3 H 1.45 0.02 2 277 62 33 PRO HD2 H 3.63 0.02 2 278 62 33 PRO HD3 H 3.50 0.02 2 279 62 33 PRO C C 177.2 0.3 1 280 62 33 PRO CA C 64.9 0.3 1 281 62 33 PRO CB C 31.1 0.3 1 282 62 33 PRO CG C 28.6 0.3 1 283 62 33 PRO CD C 49.3 0.3 1 284 63 34 GLU HA H 3.94 0.02 1 285 63 34 GLU HB2 H 1.85 0.02 1 286 63 34 GLU HG2 H 2.21 0.02 2 287 63 34 GLU HG3 H 2.12 0.02 2 288 63 34 GLU C C 176.5 0.3 1 289 63 34 GLU CA C 58.1 0.3 1 290 63 34 GLU CB C 29.2 0.3 1 291 63 34 GLU CG C 36.2 0.3 1 292 63 34 GLU N N 111.9 0.3 1 293 64 35 GLN HA H 4.48 0.02 1 294 64 35 GLN HB2 H 1.86 0.02 2 295 64 35 GLN HB3 H 1.68 0.02 2 296 64 35 GLN HG2 H 2.05 0.02 1 297 64 35 GLN HE21 H 7.37 0.02 1 298 64 35 GLN HE22 H 6.71 0.02 1 299 64 35 GLN C C 171.5 0.3 1 300 64 35 GLN CA C 52.4 0.3 1 301 64 35 GLN CB C 29.1 0.3 1 302 64 35 GLN CG C 33.5 0.3 1 303 64 35 GLN N N 117.7 0.3 1 304 65 36 PRO HA H 4.55 0.02 1 305 65 36 PRO HB2 H 1.77 0.02 1 306 65 36 PRO HG2 H 2.10 0.02 2 307 65 36 PRO HG3 H 1.98 0.02 2 308 65 36 PRO HD2 H 3.39 0.02 1 309 65 36 PRO C C 177.9 0.3 1 310 65 36 PRO CA C 63.0 0.3 1 311 65 36 PRO CB C 31.7 0.3 1 312 65 36 PRO CG C 27.1 0.3 1 313 65 36 PRO CD C 49.4 0.3 1 314 66 37 GLN HA H 4.50 0.02 1 315 66 37 GLN HB2 H 2.44 0.02 2 316 66 37 GLN HB3 H 1.10 0.02 2 317 66 37 GLN HG2 H 2.29 0.02 1 318 66 37 GLN HE21 H 7.84 0.02 1 319 66 37 GLN HE22 H 6.87 0.02 1 320 66 37 GLN C C 174.4 0.3 1 321 66 37 GLN CA C 54.6 0.3 1 322 66 37 GLN CB C 29.1 0.3 1 323 66 37 GLN CG C 33.0 0.3 1 324 66 37 GLN N N 119.7 0.3 1 325 67 38 CYS HA H 4.70 0.02 1 326 67 38 CYS HB2 H 3.41 0.02 2 327 67 38 CYS HB3 H 2.84 0.02 2 328 67 38 CYS C C 176.5 0.3 1 329 67 38 CYS CA C 58.7 0.3 1 330 67 38 CYS CB C 32.8 0.3 1 331 67 38 CYS N N 116.7 0.3 1 332 68 39 GLY HA2 H 3.73 0.02 1 333 68 39 GLY C C 176.5 0.3 1 334 68 39 GLY CA C 45.9 0.3 1 335 69 40 PHE HA H 4.71 0.02 1 336 69 40 PHE HB2 H 3.39 0.02 2 337 69 40 PHE HB3 H 3.11 0.02 2 338 69 40 PHE HD1 H 7.56 0.02 1 339 69 40 PHE HE1 H 7.40 0.02 1 340 69 40 PHE HZ H 7.32 0.02 1 341 69 40 PHE C C 178.3 0.3 1 342 69 40 PHE CA C 59.9 0.3 1 343 69 40 PHE CB C 37.9 0.3 1 344 69 40 PHE N N 125.8 0.3 1 345 70 41 SER HA H 3.98 0.02 1 346 70 41 SER HB2 H 4.41 0.02 2 347 70 41 SER HB3 H 3.71 0.02 2 348 70 41 SER CA C 63.8 0.3 1 349 70 41 SER CB C 62.0 0.3 1 350 70 41 SER N N 124.2 0.3 1 351 71 42 ASN HA H 4.15 0.02 1 352 71 42 ASN HB2 H 2.76 0.02 2 353 71 42 ASN HB3 H 2.62 0.02 2 354 71 42 ASN HD21 H 7.65 0.02 1 355 71 42 ASN HD22 H 6.80 0.02 1 356 71 42 ASN C C 175.8 0.3 1 357 71 42 ASN CA C 56.4 0.3 1 358 71 42 ASN CB C 38.8 0.3 1 359 71 42 ASN N N 118.5 0.3 1 360 72 43 ALA HA H 3.98 0.02 1 361 72 43 ALA HB H 1.53 0.02 1 362 72 43 ALA C C 179.7 0.3 1 363 72 43 ALA CA C 54.8 0.3 1 364 72 43 ALA CB C 17.7 0.3 1 365 72 43 ALA N N 119.9 0.3 1 366 73 44 VAL HA H 3.34 0.02 1 367 73 44 VAL HB H 2.07 0.02 1 368 73 44 VAL HG1 H 0.88 0.02 1 369 73 44 VAL HG2 H 0.60 0.02 1 370 73 44 VAL C C 176.3 0.3 1 371 73 44 VAL CA C 66.2 0.3 1 372 73 44 VAL CB C 31.1 0.3 1 373 73 44 VAL CG1 C 22.2 0.3 1 374 73 44 VAL CG2 C 20.4 0.3 1 375 73 44 VAL N N 115.7 0.3 1 376 74 45 VAL HA H 3.33 0.02 1 377 74 45 VAL HB H 2.20 0.02 1 378 74 45 VAL HG1 H 0.96 0.02 1 379 74 45 VAL HG2 H 0.96 0.02 1 380 74 45 VAL C C 178.8 0.3 1 381 74 45 VAL CA C 66.1 0.3 1 382 74 45 VAL CB C 31.1 0.3 1 383 74 45 VAL CG1 C 22.5 0.3 1 384 74 45 VAL CG2 C 20.4 0.3 1 385 74 45 VAL N N 118.1 0.3 1 386 75 46 GLN HA H 3.91 0.02 1 387 75 46 GLN HB2 H 1.97 0.02 1 388 75 46 GLN HG2 H 2.33 0.02 1 389 75 46 GLN HE21 H 7.21 0.02 1 390 75 46 GLN HE22 H 6.78 0.02 1 391 75 46 GLN C C 178.5 0.3 1 392 75 46 GLN CA C 57.9 0.3 1 393 75 46 GLN CB C 27.1 0.3 1 394 75 46 GLN CG C 32.4 0.3 1 395 75 46 GLN N N 119.0 0.3 1 396 76 47 ILE HA H 3.32 0.02 1 397 76 47 ILE HB H 1.76 0.02 1 398 76 47 ILE HG12 H 1.41 0.02 1 399 76 47 ILE HG2 H 0.54 0.02 1 400 76 47 ILE HD1 H 0.44 0.02 1 401 76 47 ILE C C 177.6 0.3 1 402 76 47 ILE CA C 64.7 0.3 1 403 76 47 ILE CB C 36.9 0.3 1 404 76 47 ILE CG1 C 28.9 0.3 1 405 76 47 ILE CG2 C 17.6 0.3 1 406 76 47 ILE CD1 C 11.7 0.3 1 407 76 47 ILE N N 120.6 0.3 1 408 77 48 LEU HA H 3.73 0.02 1 409 77 48 LEU HB2 H 1.60 0.02 2 410 77 48 LEU HB3 H 1.08 0.02 2 411 77 48 LEU HG H 1.48 0.02 1 412 77 48 LEU HD1 H -0.23 0.02 1 413 77 48 LEU HD2 H 0.30 0.02 1 414 77 48 LEU C C 178.4 0.3 1 415 77 48 LEU CA C 58.1 0.3 1 416 77 48 LEU CB C 39.4 0.3 1 417 77 48 LEU CG C 25.9 0.3 1 418 77 48 LEU CD1 C 23.8 0.3 1 419 77 48 LEU CD2 C 20.1 0.3 1 420 77 48 LEU N N 117.8 0.3 1 421 78 49 ARG HA H 4.08 0.02 1 422 78 49 ARG HB2 H 1.88 0.02 2 423 78 49 ARG HB3 H 1.78 0.02 2 424 78 49 ARG HG2 H 1.63 0.02 2 425 78 49 ARG HG3 H 1.51 0.02 2 426 78 49 ARG HD2 H 3.10 0.02 1 427 78 49 ARG C C 180.8 0.3 1 428 78 49 ARG CA C 58.9 0.3 1 429 78 49 ARG CB C 29.3 0.3 1 430 78 49 ARG CG C 27.0 0.3 1 431 78 49 ARG CD C 42.8 0.3 1 432 78 49 ARG N N 118.8 0.3 1 433 79 50 LEU HA H 3.89 0.02 1 434 79 50 LEU HB2 H 1.85 0.02 2 435 79 50 LEU HB3 H 1.26 0.02 2 436 79 50 LEU HG H 1.61 0.02 1 437 79 50 LEU HD1 H 0.69 0.02 1 438 79 50 LEU HD2 H 0.73 0.02 1 439 79 50 LEU C C 178.2 0.3 1 440 79 50 LEU CA C 57.5 0.3 1 441 79 50 LEU CB C 41.5 0.3 1 442 79 50 LEU CG C 26.2 0.3 1 443 79 50 LEU CD1 C 24.5 0.3 1 444 79 50 LEU CD2 C 23.2 0.3 1 445 79 50 LEU N N 123.2 0.3 1 446 80 51 HIS HA H 4.10 0.02 1 447 80 51 HIS HB2 H 3.10 0.02 2 448 80 51 HIS HB3 H 2.68 0.02 2 449 80 51 HIS HD1 H 7.41 0.02 1 450 80 51 HIS HE1 H 7.74 0.02 1 451 80 51 HIS C C 176.0 0.3 1 452 80 51 HIS CA C 58.0 0.3 1 453 80 51 HIS CB C 31.7 0.3 1 454 80 51 HIS N N 112.2 0.3 1 455 80 51 HIS ND1 N 238.9 0.3 1 456 80 51 HIS NE2 N 175.1 0.3 1 457 81 52 GLY HA2 H 3.76 0.02 1 458 81 52 GLY C C 174.0 0.3 1 459 81 52 GLY CA C 45.6 0.3 1 460 81 52 GLY N N 111.7 0.3 1 461 82 53 VAL HA H 3.81 0.02 1 462 82 53 VAL HB H 1.99 0.02 1 463 82 53 VAL HG1 H 0.83 0.02 1 464 82 53 VAL HG2 H 0.79 0.02 1 465 82 53 VAL C C 174.8 0.3 1 466 82 53 VAL CA C 62.2 0.3 1 467 82 53 VAL CB C 29.7 0.3 1 468 82 53 VAL CG1 C 21.3 0.3 1 469 82 53 VAL CG2 C 21.0 0.3 1 470 82 53 VAL N N 120.4 0.3 1 471 83 54 ARG HA H 4.36 0.02 1 472 83 54 ARG HB2 H 1.76 0.02 2 473 83 54 ARG HB3 H 1.63 0.02 2 474 83 54 ARG HG2 H 1.52 0.02 1 475 83 54 ARG HD2 H 3.10 0.02 1 476 83 54 ARG C C 176.0 0.3 1 477 83 54 ARG CA C 55.6 0.3 1 478 83 54 ARG CB C 31.1 0.3 1 479 83 54 ARG CG C 26.6 0.3 1 480 83 54 ARG CD C 42.8 0.3 1 481 83 54 ARG N N 126.6 0.3 1 482 84 55 ASP HA H 4.55 0.02 1 483 84 55 ASP HB2 H 2.61 0.02 2 484 84 55 ASP HB3 H 2.57 0.02 2 485 84 55 ASP C C 174.2 0.3 1 486 84 55 ASP CA C 53.0 0.3 1 487 84 55 ASP CB C 40.0 0.3 1 488 84 55 ASP N N 118.4 0.3 1 489 85 56 TYR HA H 4.75 0.02 1 490 85 56 TYR HB2 H 2.66 0.02 2 491 85 56 TYR HB3 H 2.56 0.02 2 492 85 56 TYR HD2 H 6.46 0.02 1 493 85 56 TYR HE2 H 6.58 0.02 1 494 85 56 TYR C C 173.1 0.3 1 495 85 56 TYR CA C 55.0 0.3 1 496 85 56 TYR CB C 39.2 0.3 1 497 85 56 TYR N N 116.2 0.3 1 498 86 57 ALA HA H 4.22 0.02 1 499 86 57 ALA HB H 1.22 0.02 1 500 86 57 ALA C C 174.3 0.3 1 501 86 57 ALA CA C 50.8 0.3 1 502 86 57 ALA CB C 20.4 0.3 1 503 86 57 ALA N N 125.0 0.3 1 504 87 58 ALA HA H 5.17 0.02 1 505 87 58 ALA HB H 0.99 0.02 1 506 87 58 ALA C C 175.4 0.3 1 507 87 58 ALA CA C 48.9 0.3 1 508 87 58 ALA CB C 21.4 0.3 1 509 87 58 ALA N N 124.4 0.3 1 510 88 59 TYR HA H 4.49 0.02 1 511 88 59 TYR HB2 H 2.69 0.02 2 512 88 59 TYR HB3 H 2.30 0.02 2 513 88 59 TYR HD2 H 6.38 0.02 1 514 88 59 TYR HE2 H 6.48 0.02 1 515 88 59 TYR C C 174.1 0.3 1 516 88 59 TYR CA C 56.9 0.3 1 517 88 59 TYR CB C 40.2 0.3 1 518 88 59 TYR N N 121.1 0.3 1 519 89 60 ASN HA H 5.19 0.02 1 520 89 60 ASN HB2 H 3.10 0.02 2 521 89 60 ASN HB3 H 2.57 0.02 2 522 89 60 ASN HD21 H 7.58 0.02 1 523 89 60 ASN HD22 H 7.18 0.02 1 524 89 60 ASN C C 178.0 0.3 1 525 89 60 ASN CA C 50.8 0.3 1 526 89 60 ASN CB C 38.0 0.3 1 527 89 60 ASN N N 122.3 0.3 1 528 90 61 VAL HA H 4.18 0.02 1 529 90 61 VAL HB H 2.18 0.02 1 530 90 61 VAL HG1 H 1.10 0.02 1 531 90 61 VAL HG2 H 0.87 0.02 1 532 90 61 VAL C C 176.7 0.3 1 533 90 61 VAL CA C 62.2 0.3 1 534 90 61 VAL CB C 30.5 0.3 1 535 90 61 VAL CG1 C 21.2 0.3 1 536 90 61 VAL CG2 C 18.3 0.3 1 537 90 61 VAL N N 117.9 0.3 1 538 91 62 LEU HA H 4.06 0.02 1 539 91 62 LEU HB2 H 1.84 0.02 2 540 91 62 LEU HB3 H 1.56 0.02 2 541 91 62 LEU HG H 1.56 0.02 1 542 91 62 LEU HD1 H 0.88 0.02 1 543 91 62 LEU HD2 H 0.81 0.02 1 544 91 62 LEU C C 177.5 0.3 1 545 91 62 LEU CA C 56.0 0.3 1 546 91 62 LEU CB C 40.4 0.3 1 547 91 62 LEU CG C 26.7 0.3 1 548 91 62 LEU CD1 C 25.3 0.3 1 549 91 62 LEU CD2 C 21.7 0.3 1 550 91 62 LEU N N 118.9 0.3 1 551 92 63 ASP HA H 4.67 0.02 1 552 92 63 ASP HB2 H 2.75 0.02 2 553 92 63 ASP HB3 H 2.57 0.02 2 554 92 63 ASP C C 175.5 0.3 1 555 92 63 ASP CA C 54.1 0.3 1 556 92 63 ASP CB C 41.0 0.3 1 557 92 63 ASP N N 115.5 0.3 1 558 93 64 ASP HA H 5.03 0.02 1 559 93 64 ASP HB2 H 2.79 0.02 2 560 93 64 ASP HB3 H 2.48 0.02 2 561 93 64 ASP C C 172.8 0.3 1 562 93 64 ASP CA C 50.5 0.3 1 563 93 64 ASP CB C 41.9 0.3 1 564 93 64 ASP N N 115.0 0.3 1 565 94 65 PRO HA H 4.27 0.02 1 566 94 65 PRO HB2 H 2.33 0.02 2 567 94 65 PRO HB3 H 1.97 0.02 2 568 94 65 PRO HG2 H 2.08 0.02 2 569 94 65 PRO HG3 H 1.97 0.02 2 570 94 65 PRO HD2 H 3.93 0.02 2 571 94 65 PRO HD3 H 3.60 0.02 2 572 94 65 PRO C C 179.3 0.3 1 573 94 65 PRO CA C 64.1 0.3 1 574 94 65 PRO CB C 31.8 0.3 1 575 94 65 PRO CG C 26.9 0.3 1 576 94 65 PRO CD C 50.3 0.3 1 577 95 66 GLU HA H 4.04 0.02 1 578 95 66 GLU HB2 H 2.07 0.02 2 579 95 66 GLU HB3 H 1.92 0.02 2 580 95 66 GLU HG2 H 2.23 0.02 2 581 95 66 GLU HG3 H 2.13 0.02 2 582 95 66 GLU C C 179.5 0.3 1 583 95 66 GLU CA C 58.6 0.3 1 584 95 66 GLU CB C 28.6 0.3 1 585 95 66 GLU CG C 36.4 0.3 1 586 95 66 GLU N N 118.6 0.3 1 587 96 67 LEU HA H 3.89 0.02 1 588 96 67 LEU HB2 H 1.46 0.02 1 589 96 67 LEU HG H 1.37 0.02 1 590 96 67 LEU HD1 H 0.81 0.02 1 591 96 67 LEU HD2 H 0.63 0.02 1 592 96 67 LEU C C 177.2 0.3 1 593 96 67 LEU CA C 57.1 0.3 1 594 96 67 LEU CB C 41.3 0.3 1 595 96 67 LEU CG C 26.5 0.3 1 596 96 67 LEU CD1 C 25.3 0.3 1 597 96 67 LEU CD2 C 23.4 0.3 1 598 96 67 LEU N N 123.8 0.3 1 599 97 68 ARG HA H 3.54 0.02 1 600 97 68 ARG HB2 H 2.08 0.02 2 601 97 68 ARG HB3 H 1.99 0.02 2 602 97 68 ARG HG2 H 1.49 0.02 2 603 97 68 ARG HG3 H 1.25 0.02 2 604 97 68 ARG HD2 H 3.03 0.02 1 605 97 68 ARG C C 176.4 0.3 1 606 97 68 ARG CA C 59.9 0.3 1 607 97 68 ARG CB C 30.4 0.3 1 608 97 68 ARG CG C 26.7 0.3 1 609 97 68 ARG CD C 43.4 0.3 1 610 97 68 ARG N N 117.9 0.3 1 611 98 69 GLN HA H 3.82 0.02 1 612 98 69 GLN HB2 H 2.07 0.02 2 613 98 69 GLN HB3 H 1.90 0.02 2 614 98 69 GLN HG2 H 2.28 0.02 1 615 98 69 GLN HE21 H 7.35 0.02 1 616 98 69 GLN HE22 H 6.75 0.02 1 617 98 69 GLN C C 177.5 0.3 1 618 98 69 GLN CA C 56.9 0.3 1 619 98 69 GLN CB C 28.0 0.3 1 620 98 69 GLN CG C 32.5 0.3 1 621 98 69 GLN N N 114.4 0.3 1 622 99 70 GLY HA2 H 3.70 0.02 1 623 99 70 GLY C C 176.7 0.3 1 624 99 70 GLY CA C 46.5 0.3 1 625 99 70 GLY N N 107.7 0.3 1 626 100 71 ILE HA H 3.98 0.02 1 627 100 71 ILE HB H 1.06 0.02 1 628 100 71 ILE HG12 H 0.97 0.02 2 629 100 71 ILE HG13 H -0.32 0.02 2 630 100 71 ILE HG2 H 0.59 0.02 1 631 100 71 ILE HD1 H 0.10 0.02 1 632 100 71 ILE C C 176.8 0.3 1 633 100 71 ILE CA C 60.5 0.3 1 634 100 71 ILE CB C 37.5 0.3 1 635 100 71 ILE CG1 C 27.8 0.3 1 636 100 71 ILE CG2 C 18.6 0.3 1 637 100 71 ILE CD1 C 14.6 0.3 1 638 100 71 ILE N N 120.9 0.3 1 639 101 72 LYS HA H 4.08 0.02 1 640 101 72 LYS HB2 H 1.80 0.02 2 641 101 72 LYS HB3 H 1.72 0.02 2 642 101 72 LYS HG2 H 1.54 0.02 2 643 101 72 LYS HG3 H 1.14 0.02 2 644 101 72 LYS HD2 H 1.50 0.02 2 645 101 72 LYS HD3 H 1.43 0.02 2 646 101 72 LYS HE2 H 2.67 0.02 1 647 101 72 LYS C C 178.9 0.3 1 648 101 72 LYS CA C 58.7 0.3 1 649 101 72 LYS CB C 31.8 0.3 1 650 101 72 LYS CG C 24.4 0.3 1 651 101 72 LYS CD C 29.9 0.3 1 652 101 72 LYS CE C 41.4 0.3 1 653 101 72 LYS N N 124.6 0.3 1 654 102 73 ASP HA H 4.25 0.02 1 655 102 73 ASP HB2 H 2.58 0.02 2 656 102 73 ASP HB3 H 2.58 0.02 2 657 102 73 ASP C C 177.7 0.3 1 658 102 73 ASP CA C 56.2 0.3 1 659 102 73 ASP CB C 39.7 0.3 1 660 102 73 ASP N N 118.7 0.3 1 661 103 74 TYR HA H 4.06 0.02 1 662 103 74 TYR HB2 H 3.01 0.02 2 663 103 74 TYR HB3 H 2.75 0.02 2 664 103 74 TYR HD1 H 6.90 0.02 1 665 103 74 TYR HE1 H 6.67 0.02 1 666 103 74 TYR C C 176.6 0.3 1 667 103 74 TYR CA C 60.5 0.3 1 668 103 74 TYR CB C 39.9 0.3 1 669 103 74 TYR N N 120.3 0.3 1 670 104 75 SER HA H 3.90 0.02 1 671 104 75 SER HB2 H 3.58 0.02 2 672 104 75 SER HB3 H 3.19 0.02 2 673 104 75 SER C C 174.6 0.3 1 674 104 75 SER CA C 57.7 0.3 1 675 104 75 SER CB C 63.9 0.3 1 676 104 75 SER N N 110.9 0.3 1 677 105 76 ASN HA H 4.20 0.02 1 678 105 76 ASN HB2 H 3.00 0.02 2 679 105 76 ASN HB3 H 2.54 0.02 2 680 105 76 ASN HD21 H 7.38 0.02 1 681 105 76 ASN HD22 H 6.63 0.02 1 682 105 76 ASN C C 173.2 0.3 1 683 105 76 ASN CA C 53.8 0.3 1 684 105 76 ASN CB C 37.2 0.3 1 685 105 76 ASN N N 117.9 0.3 1 686 106 77 TRP HA H 5.08 0.02 1 687 106 77 TRP HB2 H 2.99 0.02 2 688 106 77 TRP HB3 H 2.49 0.02 2 689 106 77 TRP HD1 H 7.43 0.02 1 690 106 77 TRP HE1 H 9.88 0.02 1 691 106 77 TRP HE3 H 7.72 0.02 1 692 106 77 TRP HZ2 H 7.23 0.02 1 693 106 77 TRP HZ3 H 7.14 0.02 1 694 106 77 TRP HH2 H 7.45 0.02 1 695 106 77 TRP C C 175.4 0.3 1 696 106 77 TRP CA C 53.5 0.3 1 697 106 77 TRP CB C 31.0 0.3 1 698 106 77 TRP N N 120.6 0.3 1 699 107 78 PRO HA H 4.17 0.02 1 700 107 78 PRO HB2 H 1.86 0.02 1 701 107 78 PRO HG2 H 1.69 0.02 2 702 107 78 PRO HG3 H 1.39 0.02 2 703 107 78 PRO HD2 H 3.32 0.02 2 704 107 78 PRO HD3 H 2.76 0.02 2 705 107 78 PRO C C 175.9 0.3 1 706 107 78 PRO CA C 63.7 0.3 1 707 107 78 PRO CB C 31.6 0.3 1 708 107 78 PRO CG C 25.9 0.3 1 709 107 78 PRO CD C 50.0 0.3 1 710 108 79 THR HA H 4.30 0.02 1 711 108 79 THR HB H 3.29 0.02 1 712 108 79 THR HG2 H 0.78 0.02 1 713 108 79 THR C C 171.4 0.3 1 714 108 79 THR CA C 60.4 0.3 1 715 108 79 THR CB C 70.4 0.3 1 716 108 79 THR CG2 C 21.2 0.3 1 717 108 79 THR N N 110.5 0.3 1 718 109 80 ILE HA H 4.26 0.02 1 719 109 80 ILE HB H 1.95 0.02 1 720 109 80 ILE HG12 H 1.50 0.02 2 721 109 80 ILE HG13 H 1.26 0.02 2 722 109 80 ILE HG2 H 0.78 0.02 1 723 109 80 ILE HD1 H 0.73 0.02 1 724 109 80 ILE C C 175.0 0.3 1 725 109 80 ILE CA C 55.9 0.3 1 726 109 80 ILE CB C 40.1 0.3 1 727 109 80 ILE CG1 C 26.6 0.3 1 728 109 80 ILE CG2 C 17.5 0.3 1 729 109 80 ILE CD1 C 10.3 0.3 1 730 109 80 ILE N N 123.1 0.3 1 731 110 81 PRO HA H 5.34 0.02 1 732 110 81 PRO HB2 H 2.59 0.02 2 733 110 81 PRO HB3 H 1.93 0.02 2 734 110 81 PRO HG2 H 1.86 0.02 2 735 110 81 PRO HG3 H 1.60 0.02 2 736 110 81 PRO HD2 H 3.85 0.02 2 737 110 81 PRO HD3 H 3.55 0.02 2 738 110 81 PRO C C 175.6 0.3 1 739 110 81 PRO CA C 61.5 0.3 1 740 110 81 PRO CB C 37.5 0.3 1 741 110 81 PRO CG C 24.5 0.3 1 742 110 81 PRO CD C 51.3 0.3 1 743 111 82 GLN HA H 4.93 0.02 1 744 111 82 GLN HB2 H 2.52 0.02 2 745 111 82 GLN HB3 H 2.60 0.02 2 746 111 82 GLN HG2 H 2.56 0.02 1 747 111 82 GLN HE21 H 7.32 0.02 1 748 111 82 GLN HE22 H 6.15 0.02 1 749 111 82 GLN C C 174.1 0.3 1 750 111 82 GLN CA C 55.4 0.3 1 751 111 82 GLN CB C 33.9 0.3 1 752 111 82 GLN CG C 34.0 0.3 1 753 111 82 GLN N N 114.7 0.3 1 754 112 83 VAL HA H 4.78 0.02 1 755 112 83 VAL HB H 1.63 0.02 1 756 112 83 VAL HG1 H 0.70 0.02 1 757 112 83 VAL HG2 H 0.59 0.02 1 758 112 83 VAL C C 172.3 0.3 1 759 112 83 VAL CA C 61.2 0.3 1 760 112 83 VAL CB C 33.5 0.3 1 761 112 83 VAL CG1 C 20.3 0.3 1 762 112 83 VAL CG2 C 19.5 0.3 1 763 112 83 VAL N N 121.0 0.3 1 764 113 84 TYR HA H 4.97 0.02 1 765 113 84 TYR HB2 H 3.13 0.02 2 766 113 84 TYR HB3 H 2.58 0.02 2 767 113 84 TYR HD2 H 6.93 0.02 1 768 113 84 TYR HE2 H 6.86 0.02 1 769 113 84 TYR C C 173.8 0.3 1 770 113 84 TYR CA C 56.7 0.3 1 771 113 84 TYR CB C 41.0 0.3 1 772 113 84 TYR N N 128.4 0.3 1 773 114 85 LEU HA H 5.33 0.02 1 774 114 85 LEU HB2 H 1.53 0.02 2 775 114 85 LEU HB3 H 1.17 0.02 2 776 114 85 LEU HG H 1.35 0.02 1 777 114 85 LEU HD1 H 0.74 0.02 1 778 114 85 LEU HD2 H 0.56 0.02 1 779 114 85 LEU C C 178.3 0.3 1 780 114 85 LEU CA C 52.1 0.3 1 781 114 85 LEU CB C 43.3 0.3 1 782 114 85 LEU CG C 26.6 0.3 1 783 114 85 LEU CD1 C 24.6 0.3 1 784 114 85 LEU CD2 C 24.3 0.3 1 785 114 85 LEU N N 117.9 0.3 1 786 115 86 ASN HA H 4.50 0.02 1 787 115 86 ASN HB2 H 3.40 0.02 2 788 115 86 ASN HB3 H 2.27 0.02 2 789 115 86 ASN HD21 H 7.66 0.02 1 790 115 86 ASN HD22 H 6.66 0.02 1 791 115 86 ASN C C 175.5 0.3 1 792 115 86 ASN CA C 52.7 0.3 1 793 115 86 ASN CB C 38.7 0.3 1 794 115 86 ASN N N 125.0 0.3 1 795 116 87 GLY HA2 H 3.50 0.02 1 796 116 87 GLY C C 172.9 0.3 1 797 116 87 GLY CA C 45.1 0.3 1 798 116 87 GLY N N 105.0 0.3 1 799 117 88 GLU HA H 4.75 0.02 1 800 117 88 GLU HB2 H 1.93 0.02 2 801 117 88 GLU HB3 H 1.84 0.02 2 802 117 88 GLU HG2 H 2.22 0.02 2 803 117 88 GLU HG3 H 2.10 0.02 2 804 117 88 GLU C C 174.7 0.3 1 805 117 88 GLU CA C 54.0 0.3 1 806 117 88 GLU CB C 31.6 0.3 1 807 117 88 GLU CG C 35.2 0.3 1 808 117 88 GLU N N 118.9 0.3 1 809 118 89 PHE HA H 3.19 0.02 1 810 118 89 PHE HB2 H 2.91 0.02 2 811 118 89 PHE HB3 H 2.58 0.02 2 812 118 89 PHE HD1 H 6.58 0.02 1 813 118 89 PHE HE1 H 6.91 0.02 1 814 118 89 PHE HZ H 6.67 0.02 1 815 118 89 PHE C C 175.5 0.3 1 816 118 89 PHE CA C 57.5 0.3 1 817 118 89 PHE CB C 38.1 0.3 1 818 118 89 PHE N N 124.4 0.3 1 819 119 90 VAL HA H 3.71 0.02 1 820 119 90 VAL HB H 1.40 0.02 1 821 119 90 VAL HG1 H 0.62 0.02 1 822 119 90 VAL HG2 H 0.45 0.02 1 823 119 90 VAL C C 174.2 0.3 1 824 119 90 VAL CA C 61.9 0.3 1 825 119 90 VAL CB C 32.4 0.3 1 826 119 90 VAL CG1 C 21.1 0.3 1 827 119 90 VAL CG2 C 20.5 0.3 1 828 119 90 VAL N N 126.9 0.3 1 829 120 91 GLY HA2 H 2.42 0.02 1 830 120 91 GLY CA C 44.1 0.3 1 831 120 91 GLY N N 101.4 0.3 1 832 121 92 GLY HA2 H 3.84 0.02 1 833 121 92 GLY C C 173.1 0.3 1 834 121 92 GLY CA C 43.2 0.3 1 835 121 92 GLY N N 106.3 0.3 1 836 122 93 CYS HA H 3.66 0.02 1 837 122 93 CYS HB2 H 2.86 0.02 2 838 122 93 CYS HB3 H 2.61 0.02 2 839 122 93 CYS C C 174.8 0.3 1 840 122 93 CYS CA C 61.8 0.3 1 841 122 93 CYS CB C 26.6 0.3 1 842 122 93 CYS N N 119.4 0.3 1 843 123 94 ASP HA H 4.24 0.02 1 844 123 94 ASP HB2 H 2.58 0.02 1 845 123 94 ASP C C 179.1 0.3 1 846 123 94 ASP CA C 57.7 0.3 1 847 123 94 ASP CB C 39.2 0.3 1 848 123 94 ASP N N 117.7 0.3 1 849 124 95 ILE HA H 3.72 0.02 1 850 124 95 ILE HB H 1.43 0.02 1 851 124 95 ILE HG12 H 1.43 0.02 2 852 124 95 ILE HG13 H 1.15 0.02 2 853 124 95 ILE HG2 H 0.67 0.02 1 854 124 95 ILE HD1 H 0.67 0.02 1 855 124 95 ILE C C 177.2 0.3 1 856 124 95 ILE CA C 63.1 0.3 1 857 124 95 ILE CB C 37.0 0.3 1 858 124 95 ILE CG1 C 28.8 0.3 1 859 124 95 ILE CG2 C 17.0 0.3 1 860 124 95 ILE CD1 C 11.7 0.3 1 861 124 95 ILE N N 120.7 0.3 1 862 125 96 LEU HA H 3.83 0.02 1 863 125 96 LEU HB2 H 1.69 0.02 2 864 125 96 LEU HB3 H 1.22 0.02 2 865 125 96 LEU HG H 1.59 0.02 1 866 125 96 LEU HD2 H 0.65 0.02 1 867 125 96 LEU C C 178.8 0.3 1 868 125 96 LEU CA C 57.4 0.3 1 869 125 96 LEU CB C 40.8 0.3 1 870 125 96 LEU CG C 26.6 0.3 1 871 125 96 LEU CD1 C 23.3 0.3 1 872 125 96 LEU CD2 C 22.8 0.3 1 873 125 96 LEU N N 122.0 0.3 1 874 126 97 LEU HA H 3.96 0.02 1 875 126 97 LEU HB2 H 1.67 0.02 1 876 126 97 LEU HG H 1.61 0.02 1 877 126 97 LEU HD1 H 0.88 0.02 1 878 126 97 LEU HD2 H 0.80 0.02 1 879 126 97 LEU C C 179.1 0.3 1 880 126 97 LEU CA C 57.8 0.3 1 881 126 97 LEU CB C 40.8 0.3 1 882 126 97 LEU CG C 26.6 0.3 1 883 126 97 LEU CD1 C 24.0 0.3 1 884 126 97 LEU CD2 C 23.9 0.3 1 885 126 97 LEU N N 118.2 0.3 1 886 127 98 GLN HA H 3.97 0.02 1 887 127 98 GLN HB2 H 2.13 0.02 1 888 127 98 GLN HG2 H 2.37 0.02 2 889 127 98 GLN HG3 H 2.24 0.02 2 890 127 98 GLN HE21 H 7.25 0.02 1 891 127 98 GLN HE22 H 6.72 0.02 1 892 127 98 GLN C C 178.2 0.3 1 893 127 98 GLN CA C 59.0 0.3 1 894 127 98 GLN CB C 27.9 0.3 1 895 127 98 GLN CG C 33.4 0.3 1 896 127 98 GLN N N 119.9 0.3 1 897 128 99 MET HA H 4.36 0.02 1 898 128 99 MET HB2 H 1.99 0.02 2 899 128 99 MET HB3 H 1.93 0.02 2 900 128 99 MET HG2 H 2.77 0.02 2 901 128 99 MET HG3 H 2.42 0.02 2 902 128 99 MET C C 179.6 0.3 1 903 128 99 MET CA C 57.8 0.3 1 904 128 99 MET CB C 33.5 0.3 1 905 128 99 MET CG C 31.3 0.3 1 906 128 99 MET CE C 15.1 0.3 1 907 128 99 MET N N 117.5 0.3 1 908 129 100 HIS HA H 4.35 0.02 1 909 129 100 HIS HB2 H 3.51 0.02 2 910 129 100 HIS HB3 H 2.96 0.02 2 911 129 100 HIS HD1 H 6.90 0.02 1 912 129 100 HIS HE1 H 7.30 0.02 1 913 129 100 HIS C C 177.0 0.3 1 914 129 100 HIS CA C 59.2 0.3 1 915 129 100 HIS CB C 31.1 0.3 1 916 129 100 HIS N N 122.3 0.3 1 917 129 100 HIS ND1 N 247.8 0.3 1 918 129 100 HIS NE2 N 164.6 0.3 1 919 130 101 GLN HA H 3.76 0.02 1 920 130 101 GLN HB2 H 2.13 0.02 2 921 130 101 GLN HB3 H 1.99 0.02 2 922 130 101 GLN HG2 H 2.55 0.02 2 923 130 101 GLN HG3 H 2.35 0.02 2 924 130 101 GLN HE21 H 7.30 0.02 1 925 130 101 GLN HE22 H 6.76 0.02 1 926 130 101 GLN C C 177.6 0.3 1 927 130 101 GLN CA C 57.8 0.3 1 928 130 101 GLN CB C 28.3 0.3 1 929 130 101 GLN CG C 33.7 0.3 1 930 130 101 GLN N N 116.7 0.3 1 931 131 102 ASN HA H 4.62 0.02 1 932 131 102 ASN HB2 H 3.09 0.02 2 933 131 102 ASN HB3 H 2.68 0.02 2 934 131 102 ASN HD21 H 7.16 0.02 1 935 131 102 ASN HD22 H 6.49 0.02 1 936 131 102 ASN C C 176.6 0.3 1 937 131 102 ASN CA C 52.3 0.3 1 938 131 102 ASN CB C 38.0 0.3 1 939 131 102 ASN N N 114.2 0.3 1 940 132 103 GLY HA2 H 3.89 0.02 1 941 132 103 GLY C C 175.3 0.3 1 942 132 103 GLY CA C 45.2 0.3 1 943 132 103 GLY N N 106.6 0.3 1 944 133 104 ASP HA H 4.37 0.02 1 945 133 104 ASP HB2 H 2.59 0.02 2 946 133 104 ASP HB3 H 2.55 0.02 2 947 133 104 ASP C C 178.7 0.3 1 948 133 104 ASP CA C 56.7 0.3 1 949 133 104 ASP CB C 40.0 0.3 1 950 133 104 ASP N N 122.9 0.3 1 951 134 105 LEU HA H 3.78 0.02 1 952 134 105 LEU HB2 H 0.90 0.02 1 953 134 105 LEU HG H 0.90 0.02 1 954 134 105 LEU HD1 H 0.30 0.02 1 955 134 105 LEU HD2 H 0.55 0.02 1 956 134 105 LEU C C 177.3 0.3 1 957 134 105 LEU CA C 57.3 0.3 1 958 134 105 LEU CB C 40.0 0.3 1 959 134 105 LEU CG C 25.9 0.3 1 960 134 105 LEU CD1 C 25.4 0.3 1 961 134 105 LEU CD2 C 21.4 0.3 1 962 134 105 LEU N N 118.9 0.3 1 963 135 106 VAL HA H 3.40 0.02 1 964 135 106 VAL HB H 2.09 0.02 1 965 135 106 VAL HG1 H 1.13 0.02 1 966 135 106 VAL HG2 H 0.95 0.02 1 967 135 106 VAL C C 178.3 0.3 1 968 135 106 VAL CA C 66.8 0.3 1 969 135 106 VAL CB C 31.2 0.3 1 970 135 106 VAL CG1 C 22.2 0.3 1 971 135 106 VAL CG2 C 21.4 0.3 1 972 135 106 VAL N N 116.6 0.3 1 973 136 107 GLU HA H 4.02 0.02 1 974 136 107 GLU HB2 H 2.06 0.02 2 975 136 107 GLU HB3 H 2.06 0.02 2 976 136 107 GLU HG2 H 2.26 0.02 1 977 136 107 GLU C C 178.8 0.3 1 978 136 107 GLU CA C 58.0 0.3 1 979 136 107 GLU CB C 28.5 0.3 1 980 136 107 GLU CG C 34.9 0.3 1 981 136 107 GLU N N 118.6 0.3 1 982 137 108 GLU HA H 3.89 0.02 1 983 137 108 GLU HB2 H 1.87 0.02 2 984 137 108 GLU HB3 H 1.68 0.02 2 985 137 108 GLU HG2 H 1.95 0.02 2 986 137 108 GLU HG3 H 2.23 0.02 2 987 137 108 GLU C C 179.5 0.3 1 988 137 108 GLU CA C 58.0 0.3 1 989 137 108 GLU CB C 28.6 0.3 1 990 137 108 GLU CG C 34.9 0.3 1 991 137 108 GLU N N 119.5 0.3 1 992 138 109 LEU HA H 3.89 0.02 1 993 138 109 LEU HB2 H 1.76 0.02 2 994 138 109 LEU HB3 H 1.30 0.02 2 995 138 109 LEU HG H 1.64 0.02 1 996 138 109 LEU HD1 H 0.44 0.02 1 997 138 109 LEU HD2 H 0.54 0.02 1 998 138 109 LEU C C 179.2 0.3 1 999 138 109 LEU CA C 57.5 0.3 1 1000 138 109 LEU CB C 39.3 0.3 1 1001 138 109 LEU CG C 26.0 0.3 1 1002 138 109 LEU CD1 C 25.5 0.3 1 1003 138 109 LEU CD2 C 20.9 0.3 1 1004 138 109 LEU N N 117.4 0.3 1 1005 139 110 LYS HA H 3.85 0.02 1 1006 139 110 LYS HB2 H 1.92 0.02 1 1007 139 110 LYS HG2 H 1.45 0.02 2 1008 139 110 LYS HG3 H 1.26 0.02 2 1009 139 110 LYS HD2 H 1.60 0.02 1 1010 139 110 LYS HE2 H 2.82 0.02 2 1011 139 110 LYS HE3 H 2.76 0.02 2 1012 139 110 LYS C C 180.9 0.3 1 1013 139 110 LYS CA C 59.6 0.3 1 1014 139 110 LYS CB C 31.8 0.3 1 1015 139 110 LYS CG C 24.5 0.3 1 1016 139 110 LYS CD C 29.2 0.3 1 1017 139 110 LYS CE C 41.4 0.3 1 1018 139 110 LYS N N 121.1 0.3 1 1019 140 111 LYS HA H 3.94 0.02 1 1020 140 111 LYS HB2 H 1.86 0.02 1 1021 140 111 LYS HG2 H 1.60 0.02 2 1022 140 111 LYS HG3 H 1.38 0.02 2 1023 140 111 LYS HD2 H 1.60 0.02 1 1024 140 111 LYS HE2 H 2.76 0.02 2 1025 140 111 LYS HE3 H 2.76 0.02 2 1026 140 111 LYS C C 177.6 0.3 1 1027 140 111 LYS CA C 58.7 0.3 1 1028 140 111 LYS CB C 31.9 0.3 1 1029 140 111 LYS CG C 25.3 0.3 1 1030 140 111 LYS CD C 29.2 0.3 1 1031 140 111 LYS CE C 41.4 0.3 1 1032 140 111 LYS N N 119.8 0.3 1 1033 141 112 LEU HA H 4.32 0.02 1 1034 141 112 LEU HB2 H 1.88 0.02 2 1035 141 112 LEU HB3 H 1.61 0.02 2 1036 141 112 LEU HG H 1.88 0.02 1 1037 141 112 LEU HD1 H 0.81 0.02 1 1038 141 112 LEU HD2 H 0.75 0.02 1 1039 141 112 LEU C C 176.4 0.3 1 1040 141 112 LEU CA C 53.6 0.3 1 1041 141 112 LEU CB C 42.0 0.3 1 1042 141 112 LEU CG C 26.2 0.3 1 1043 141 112 LEU CD1 C 23.2 0.3 1 1044 141 112 LEU CD2 C 22.8 0.3 1 1045 141 112 LEU N N 116.6 0.3 1 1046 142 113 GLY HA2 H 3.67 0.02 1 1047 142 113 GLY C C 173.9 0.3 1 1048 142 113 GLY CA C 45.0 0.3 1 1049 142 113 GLY N N 107.2 0.3 1 1050 143 114 ILE HA H 4.02 0.02 1 1051 143 114 ILE HB H 1.52 0.02 1 1052 143 114 ILE HG12 H 1.31 0.02 2 1053 143 114 ILE HG13 H 0.94 0.02 2 1054 143 114 ILE HG2 H 0.73 0.02 1 1055 143 114 ILE HD1 H 0.74 0.02 1 1056 143 114 ILE C C 173.9 0.3 1 1057 143 114 ILE CA C 60.0 0.3 1 1058 143 114 ILE CB C 38.7 0.3 1 1059 143 114 ILE CG1 C 26.5 0.3 1 1060 143 114 ILE CG2 C 16.7 0.3 1 1061 143 114 ILE CD1 C 13.7 0.3 1 1062 143 114 ILE N N 121.6 0.3 1 1063 144 115 HIS HA H 4.34 0.02 1 1064 144 115 HIS HB2 H 3.12 0.02 2 1065 144 115 HIS HB3 H 2.93 0.02 2 1066 144 115 HIS HD1 H 6.94 0.02 1 1067 144 115 HIS HE1 H 8.12 0.02 1 1068 144 115 HIS C C 173.8 0.3 1 1069 144 115 HIS CA C 54.3 0.3 1 1070 144 115 HIS CB C 28.6 0.3 1 1071 144 115 HIS N N 128.0 0.3 1 1072 144 115 HIS NE2 N 178.2 0.3 1 1073 145 116 SER HA H 4.47 0.02 1 1074 145 116 SER HB2 H 4.09 0.02 2 1075 145 116 SER HB3 H 3.56 0.02 2 1076 145 116 SER CA C 57.8 0.3 1 1077 145 116 SER CB C 62.2 0.3 1 1078 145 116 SER N N 121.4 0.3 1 1079 146 117 ALA HA H 4.18 0.02 1 1080 146 117 ALA HB H 1.30 0.02 1 1081 146 117 ALA C C 178.1 0.3 1 1082 146 117 ALA CA C 52.9 0.3 1 1083 146 117 ALA CB C 17.7 0.3 1 1084 146 117 ALA N N 130.1 0.3 1 1085 147 118 LEU HA H 4.06 0.02 1 1086 147 118 LEU HB2 H 1.43 0.02 2 1087 147 118 LEU HB3 H 1.27 0.02 2 1088 147 118 LEU HG H 1.17 0.02 1 1089 147 118 LEU HD1 H 0.36 0.02 1 1090 147 118 LEU HD2 H 0.56 0.02 1 1091 147 118 LEU C C 177.7 0.3 1 1092 147 118 LEU CA C 55.1 0.3 1 1093 147 118 LEU CB C 40.4 0.3 1 1094 147 118 LEU CG C 26.9 0.3 1 1095 147 118 LEU CD1 C 24.1 0.3 1 1096 147 118 LEU CD2 C 22.9 0.3 1 1097 147 118 LEU N N 117.8 0.3 1 1098 148 119 LEU HA H 4.18 0.02 1 1099 148 119 LEU HB2 H 1.50 0.02 2 1100 148 119 LEU HB3 H 1.41 0.02 2 1101 148 119 LEU HG H 1.39 0.02 1 1102 148 119 LEU HD2 H 0.71 0.02 1 1103 148 119 LEU C C 176.5 0.3 1 1104 148 119 LEU CA C 54.7 0.3 1 1105 148 119 LEU CB C 42.0 0.3 1 1106 148 119 LEU CG C 26.6 0.3 1 1107 148 119 LEU CD1 C 24.6 0.3 1 1108 148 119 LEU CD2 C 23.1 0.3 1 1109 148 119 LEU N N 120.1 0.3 1 1110 149 120 ASP HA H 4.60 0.02 1 1111 149 120 ASP HB2 H 2.69 0.02 2 1112 149 120 ASP HB3 H 2.51 0.02 2 1113 149 120 ASP C C 174.8 0.3 1 1114 149 120 ASP CA C 53.9 0.3 1 1115 149 120 ASP CB C 40.6 0.3 1 1116 149 120 ASP N N 121.9 0.3 1 1117 150 121 GLU HA H 4.02 0.02 1 1118 150 121 GLU HB2 H 1.92 0.02 2 1119 150 121 GLU HB3 H 1.77 0.02 2 1120 150 121 GLU HG2 H 2.07 0.02 1 1121 150 121 GLU C C 180.8 0.3 1 1122 150 121 GLU CA C 57.7 0.3 1 1123 150 121 GLU CB C 31.0 0.3 1 1124 150 121 GLU CG C 36.2 0.3 1 1125 150 121 GLU N N 125.4 0.3 1 stop_ save_