data_17646 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal domain of human anamorsin ; _BMRB_accession_number 17646 _BMRB_flat_file_name bmr17646.str _Entry_type original _Submission_date 2011-05-13 _Accession_date 2011-05-13 _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 Bertini Ivano . . 3 Ciofi-Baffoni Simone . . 4 Boscaro Francesca . . 5 Chatzi Afroditi . . 6 Mikolajczyk Maciej . . 7 Tokatlidis Kostas . . 8 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" 922 "13C chemical shifts" 703 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-30 original author . stop_ _Original_release_date 2011-06-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Anamorsin Is a [2Fe-2S] Cluster-Containing Substrate of the Mia40-Dependent Mitochondrial Protein Trapping Machinery.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21700214 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Ciofi-Baffoni Simone . . 4 Boscaro Francesca . . 5 Chatzi Afroditi . . 6 Mikolajczyk Maciej . . 7 Tokatlidis Kostas . . 8 Winkelmann Julia . . stop_ _Journal_abbreviation 'Chem. Biol.' _Journal_name_full 'Chemistry & biology' _Journal_volume 18 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 794 _Page_last 804 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Anamorsin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Anamorsin $Anamorsin 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_Anamorsin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Anamorsin _Molecular_mass 18539.293 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; MADFGISAGQFVAVVWDKSS PVEALKGLVDKLQALTGNEG RVSVENIKQLLQSAHKESSF DIILSGLVPGSTTLHSAEIL AEIARILRPGGCLFLKEPVE TAVDNNSKVKTASKLCSALT LSGLVEVKELQREPLTPEEV QSVREHLGHESDNLLFVQIT GKKPNFEVGSSR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASP 4 PHE 5 GLY 6 ILE 7 SER 8 ALA 9 GLY 10 GLN 11 PHE 12 VAL 13 ALA 14 VAL 15 VAL 16 TRP 17 ASP 18 LYS 19 SER 20 SER 21 PRO 22 VAL 23 GLU 24 ALA 25 LEU 26 LYS 27 GLY 28 LEU 29 VAL 30 ASP 31 LYS 32 LEU 33 GLN 34 ALA 35 LEU 36 THR 37 GLY 38 ASN 39 GLU 40 GLY 41 ARG 42 VAL 43 SER 44 VAL 45 GLU 46 ASN 47 ILE 48 LYS 49 GLN 50 LEU 51 LEU 52 GLN 53 SER 54 ALA 55 HIS 56 LYS 57 GLU 58 SER 59 SER 60 PHE 61 ASP 62 ILE 63 ILE 64 LEU 65 SER 66 GLY 67 LEU 68 VAL 69 PRO 70 GLY 71 SER 72 THR 73 THR 74 LEU 75 HIS 76 SER 77 ALA 78 GLU 79 ILE 80 LEU 81 ALA 82 GLU 83 ILE 84 ALA 85 ARG 86 ILE 87 LEU 88 ARG 89 PRO 90 GLY 91 GLY 92 CYS 93 LEU 94 PHE 95 LEU 96 LYS 97 GLU 98 PRO 99 VAL 100 GLU 101 THR 102 ALA 103 VAL 104 ASP 105 ASN 106 ASN 107 SER 108 LYS 109 VAL 110 LYS 111 THR 112 ALA 113 SER 114 LYS 115 LEU 116 CYS 117 SER 118 ALA 119 LEU 120 THR 121 LEU 122 SER 123 GLY 124 LEU 125 VAL 126 GLU 127 VAL 128 LYS 129 GLU 130 LEU 131 GLN 132 ARG 133 GLU 134 PRO 135 LEU 136 THR 137 PRO 138 GLU 139 GLU 140 VAL 141 GLN 142 SER 143 VAL 144 ARG 145 GLU 146 HIS 147 LEU 148 GLY 149 HIS 150 GLU 151 SER 152 ASP 153 ASN 154 LEU 155 LEU 156 PHE 157 VAL 158 GLN 159 ILE 160 THR 161 GLY 162 LYS 163 LYS 164 PRO 165 ASN 166 PHE 167 GLU 168 VAL 169 GLY 170 SER 171 SER 172 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 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 2LD4 "Solution Structure Of The N-Terminal Domain Of Human Anamorsin" 100.00 176 100.00 100.00 1.93e-118 PDB 2YUI "Solution Structure Of The N-Terminal Domain In Human Cytokine-Induced Apoptosis Inhibitor Anamorsin" 98.84 182 100.00 100.00 9.89e-117 PDB 4M7R "Crystal Structure Of The N-terminal Methyltransferase-like Domain Of Anamorsin" 100.00 196 100.00 100.00 3.07e-118 DBJ BAG58080 "unnamed protein product [Homo sapiens]" 100.00 203 100.00 100.00 6.53e-118 DBJ BAK62448 "isoform 2 of Q6FI81 [Pan troglodytes]" 100.00 312 99.42 99.42 4.70e-116 GB AAC24311 "Unknown gene product [Homo sapiens]" 100.00 312 100.00 100.00 5.99e-117 GB AAG44562 "CUA001 [Homo sapiens]" 100.00 312 100.00 100.00 5.99e-117 GB AAH02568 "Cytokine induced apoptosis inhibitor 1 [Homo sapiens]" 100.00 312 100.00 100.00 5.99e-117 GB AAH24196 "Cytokine induced apoptosis inhibitor 1 [Homo sapiens]" 100.00 312 100.00 100.00 5.99e-117 GB AAH67303 "Cytokine induced apoptosis inhibitor 1 [Homo sapiens]" 100.00 312 100.00 100.00 5.99e-117 REF NP_001233553 "anamorsin [Pan troglodytes]" 100.00 312 99.42 99.42 4.70e-116 REF NP_001295287 "anamorsin isoform 3 [Homo sapiens]" 100.00 266 100.00 100.00 7.53e-117 REF NP_064709 "anamorsin isoform 1 [Homo sapiens]" 100.00 312 100.00 100.00 5.99e-117 REF XP_003263147 "PREDICTED: anamorsin isoform X1 [Nomascus leucogenys]" 100.00 312 97.09 98.26 2.19e-113 REF XP_003823791 "PREDICTED: anamorsin isoform X1 [Pan paniscus]" 100.00 312 99.42 99.42 3.86e-116 SP Q6FI81 "RecName: Full=Anamorsin; AltName: Full=Cytokine-induced apoptosis inhibitor 1; AltName: Full=Fe-S cluster assembly protein DRE2" 100.00 312 100.00 100.00 5.99e-117 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Anamorsin Human 9606 Eukaryota Metazoa Homo sapiens CIAPIN1 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 $Anamorsin 'recombinant technology' . Escherichia coli 'BL21-CodonPlus (DE3)-RIPL' pCOLD-DEST 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 $Anamorsin . mM 0.5 1 '[U-100% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 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 $Anamorsin . mM 0.5 1 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 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_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 1.3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 10.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_WhatIF _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . 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 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 7.0 . 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 dioxane C 13 'methylene protons' ppm 61.5 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' 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 Anamorsin _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 3.78 0.02 1 2 1 1 MET HB2 H 1.55 0.02 2 3 1 1 MET HB3 H 1.37 0.02 2 4 2 2 ALA H H 7.91 0.02 1 5 2 2 ALA HA H 3.97 0.02 1 6 2 2 ALA HB H 1.21 0.02 1 7 2 2 ALA C C 178.6 0.3 1 8 2 2 ALA CA C 53.6 0.3 1 9 2 2 ALA CB C 18.0 0.3 1 10 2 2 ALA N N 120.7 0.3 1 11 3 3 ASP H H 7.44 0.02 1 12 3 3 ASP HA H 4.22 0.02 1 13 3 3 ASP HB2 H 2.30 0.02 2 14 3 3 ASP HB3 H 2.05 0.02 2 15 3 3 ASP C C 176.5 0.3 1 16 3 3 ASP CA C 55.0 0.3 1 17 3 3 ASP CB C 39.8 0.3 1 18 3 3 ASP N N 116.6 0.3 1 19 4 4 PHE H H 7.12 0.02 1 20 4 4 PHE HA H 4.05 0.02 1 21 4 4 PHE HB2 H 2.76 0.02 2 22 4 4 PHE HB3 H 2.60 0.02 2 23 4 4 PHE HD1 H 6.09 0.02 1 24 4 4 PHE HE1 H 6.76 0.02 1 25 4 4 PHE HZ H 6.84 0.02 1 26 4 4 PHE C C 175.0 0.3 1 27 4 4 PHE CA C 56.1 0.3 1 28 4 4 PHE CB C 37.7 0.3 1 29 4 4 PHE N N 116.1 0.3 1 30 5 5 GLY H H 7.64 0.02 1 31 5 5 GLY HA2 H 3.73 0.02 2 32 5 5 GLY HA3 H 3.87 0.02 2 33 5 5 GLY C C 174.5 0.3 1 34 5 5 GLY CA C 46.1 0.3 1 35 5 5 GLY N N 105.3 0.3 1 36 6 6 ILE H H 7.77 0.02 1 37 6 6 ILE HA H 4.32 0.02 1 38 6 6 ILE HB H 1.69 0.02 1 39 6 6 ILE HG12 H 1.53 0.02 2 40 6 6 ILE HG13 H 1.17 0.02 2 41 6 6 ILE HG2 H 0.80 0.02 1 42 6 6 ILE HD1 H 0.80 0.02 1 43 6 6 ILE C C 175.7 0.3 1 44 6 6 ILE CA C 60.5 0.3 1 45 6 6 ILE CB C 36.3 0.3 1 46 6 6 ILE CG1 C 28.0 0.3 1 47 6 6 ILE CG2 C 18.1 0.3 1 48 6 6 ILE CD1 C 13.2 0.3 1 49 6 6 ILE N N 120.3 0.3 1 50 7 7 SER H H 8.30 0.02 1 51 7 7 SER HA H 4.59 0.02 1 52 7 7 SER HB2 H 3.69 0.02 1 53 7 7 SER C C 172.3 0.3 1 54 7 7 SER CA C 56.0 0.3 1 55 7 7 SER CB C 65.6 0.3 1 56 7 7 SER N N 121.7 0.3 1 57 8 8 ALA H H 8.07 0.02 1 58 8 8 ALA HA H 4.32 0.02 1 59 8 8 ALA HB H 1.34 0.02 1 60 8 8 ALA C C 179.5 0.3 1 61 8 8 ALA CA C 52.6 0.3 1 62 8 8 ALA CB C 17.9 0.3 1 63 8 8 ALA N N 122.0 0.3 1 64 9 9 GLY H H 9.44 0.02 1 65 9 9 GLY HA2 H 3.21 0.02 2 66 9 9 GLY HA3 H 4.26 0.02 2 67 9 9 GLY C C 173.8 0.3 1 68 9 9 GLY CA C 44.2 0.3 1 69 9 9 GLY N N 109.5 0.3 1 70 10 10 GLN H H 7.37 0.02 1 71 10 10 GLN HA H 4.26 0.02 1 72 10 10 GLN HB2 H 2.32 0.02 2 73 10 10 GLN HB3 H 1.77 0.02 2 74 10 10 GLN HG2 H 2.10 0.02 2 75 10 10 GLN HG3 H 2.36 0.02 2 76 10 10 GLN HE21 H 6.40 0.02 1 77 10 10 GLN HE22 H 7.28 0.02 1 78 10 10 GLN C C 174.5 0.3 1 79 10 10 GLN CA C 56.3 0.3 1 80 10 10 GLN CB C 30.4 0.3 1 81 10 10 GLN CG C 35.5 0.3 1 82 10 10 GLN N N 117.5 0.3 1 83 10 10 GLN NE2 N 107.9 0.3 1 84 11 11 PHE H H 9.95 0.02 1 85 11 11 PHE HA H 5.56 0.02 1 86 11 11 PHE HB2 H 3.36 0.02 2 87 11 11 PHE HB3 H 2.97 0.02 2 88 11 11 PHE HD1 H 7.24 0.02 1 89 11 11 PHE HE1 H 7.35 0.02 1 90 11 11 PHE HZ H 7.28 0.02 1 91 11 11 PHE C C 175.8 0.3 1 92 11 11 PHE CA C 54.6 0.3 1 93 11 11 PHE CB C 38.1 0.3 1 94 11 11 PHE N N 121.1 0.3 1 95 12 12 VAL H H 9.43 0.02 1 96 12 12 VAL HA H 5.53 0.02 1 97 12 12 VAL HB H 2.05 0.02 1 98 12 12 VAL HG1 H 0.81 0.02 1 99 12 12 VAL HG2 H 0.93 0.02 1 100 12 12 VAL C C 173.9 0.3 1 101 12 12 VAL CA C 59.3 0.3 1 102 12 12 VAL CB C 35.4 0.3 1 103 12 12 VAL CG1 C 20.7 0.3 1 104 12 12 VAL CG2 C 21.8 0.3 1 105 12 12 VAL N N 126.4 0.3 1 106 13 13 ALA H H 8.31 0.02 1 107 13 13 ALA HA H 5.37 0.02 1 108 13 13 ALA HB H 0.17 0.02 1 109 13 13 ALA C C 175.2 0.3 1 110 13 13 ALA CA C 48.7 0.3 1 111 13 13 ALA CB C 18.6 0.3 1 112 13 13 ALA N N 126.1 0.3 1 113 14 14 VAL H H 8.75 0.02 1 114 14 14 VAL HA H 4.54 0.02 1 115 14 14 VAL HB H 1.85 0.02 1 116 14 14 VAL HG1 H 0.69 0.02 1 117 14 14 VAL HG2 H 0.70 0.02 1 118 14 14 VAL C C 173.6 0.3 1 119 14 14 VAL CA C 60.4 0.3 1 120 14 14 VAL CB C 33.5 0.3 1 121 14 14 VAL CG1 C 21.7 0.3 1 122 14 14 VAL CG2 C 21.0 0.3 1 123 14 14 VAL N N 121.6 0.3 1 124 15 15 VAL H H 8.72 0.02 1 125 15 15 VAL HA H 5.45 0.02 1 126 15 15 VAL HB H 2.31 0.02 1 127 15 15 VAL HG1 H 0.90 0.02 1 128 15 15 VAL HG2 H 0.67 0.02 1 129 15 15 VAL C C 175.5 0.3 1 130 15 15 VAL CA C 60.2 0.3 1 131 15 15 VAL CB C 31.8 0.3 1 132 15 15 VAL CG1 C 21.7 0.3 1 133 15 15 VAL CG2 C 20.2 0.3 1 134 15 15 VAL N N 127.8 0.3 1 135 16 16 TRP H H 8.56 0.02 1 136 16 16 TRP HA H 5.11 0.02 1 137 16 16 TRP HB2 H 3.55 0.02 2 138 16 16 TRP HB3 H 2.74 0.02 2 139 16 16 TRP HD1 H 6.92 0.02 1 140 16 16 TRP HE1 H 9.86 0.02 1 141 16 16 TRP HE3 H 7.92 0.02 1 142 16 16 TRP HZ2 H 7.45 0.02 1 143 16 16 TRP HZ3 H 6.96 0.02 1 144 16 16 TRP HH2 H 7.20 0.02 1 145 16 16 TRP C C 172.1 0.3 1 146 16 16 TRP CA C 54.0 0.3 1 147 16 16 TRP CB C 31.8 0.3 1 148 16 16 TRP N N 127.4 0.3 1 149 17 17 ASP H H 8.57 0.02 1 150 17 17 ASP HA H 4.32 0.02 1 151 17 17 ASP HB2 H 2.53 0.02 2 152 17 17 ASP HB3 H 3.11 0.02 2 153 17 17 ASP C C 176.4 0.3 1 154 17 17 ASP CA C 51.9 0.3 1 155 17 17 ASP CB C 42.8 0.3 1 156 17 17 ASP N N 118.3 0.3 1 157 18 18 LYS HA H 4.16 0.02 1 158 18 18 LYS HB2 H 1.80 0.02 2 159 18 18 LYS HB3 H 1.75 0.02 2 160 18 18 LYS HG2 H 1.39 0.02 2 161 18 18 LYS HG3 H 1.28 0.02 2 162 18 18 LYS HD2 H 1.75 0.02 1 163 18 18 LYS HE2 H 3.09 0.02 1 164 18 18 LYS CA C 58.1 0.3 1 165 18 18 LYS CB C 31.8 0.3 1 166 18 18 LYS CG C 23.6 0.3 1 167 18 18 LYS CD C 29.2 0.3 1 168 18 18 LYS CE C 41.5 0.3 1 169 19 19 SER H H 8.21 0.02 1 170 19 19 SER HA H 3.79 0.02 1 171 19 19 SER HB2 H 3.15 0.02 1 172 19 19 SER C C 174.0 0.3 1 173 19 19 SER CA C 58.7 0.3 1 174 19 19 SER CB C 63.7 0.3 1 175 19 19 SER N N 116.3 0.3 1 176 20 20 SER H H 8.25 0.02 1 177 20 20 SER HA H 4.64 0.02 1 178 20 20 SER HB2 H 4.44 0.02 2 179 20 20 SER HB3 H 3.59 0.02 2 180 20 20 SER C C 170.9 0.3 1 181 20 20 SER CA C 56.2 0.3 1 182 20 20 SER CB C 62.6 0.3 1 183 20 20 SER N N 121.2 0.3 1 184 21 21 PRO HA H 4.48 0.02 1 185 21 21 PRO HB2 H 2.48 0.02 2 186 21 21 PRO HB3 H 1.89 0.02 2 187 21 21 PRO HG2 H 2.28 0.02 2 188 21 21 PRO HG3 H 1.99 0.02 2 189 21 21 PRO HD2 H 4.43 0.02 2 190 21 21 PRO HD3 H 3.59 0.02 2 191 21 21 PRO CA C 62.4 0.3 1 192 21 21 PRO CB C 31.8 0.3 1 193 21 21 PRO CG C 27.6 0.3 1 194 21 21 PRO CD C 50.5 0.3 1 195 22 22 VAL H H 8.56 0.02 1 196 22 22 VAL HA H 3.46 0.02 1 197 22 22 VAL HB H 1.98 0.02 1 198 22 22 VAL HG1 H 0.92 0.02 1 199 22 22 VAL HG2 H 0.87 0.02 1 200 22 22 VAL C C 178.0 0.3 1 201 22 22 VAL CA C 65.6 0.3 1 202 22 22 VAL CB C 31.1 0.3 1 203 22 22 VAL CG1 C 21.1 0.3 1 204 22 22 VAL CG2 C 20.0 0.3 1 205 22 22 VAL N N 125.7 0.3 1 206 23 23 GLU H H 9.16 0.02 1 207 23 23 GLU HA H 4.01 0.02 1 208 23 23 GLU HB2 H 1.96 0.02 2 209 23 23 GLU HB3 H 1.96 0.02 2 210 23 23 GLU HG2 H 2.27 0.02 1 211 23 23 GLU C C 179.1 0.3 1 212 23 23 GLU CA C 58.7 0.3 1 213 23 23 GLU CB C 28.0 0.3 1 214 23 23 GLU CG C 36.3 0.3 1 215 23 23 GLU N N 119.9 0.3 1 216 24 24 ALA H H 6.86 0.02 1 217 24 24 ALA HA H 4.18 0.02 1 218 24 24 ALA HB H 1.45 0.02 1 219 24 24 ALA C C 179.8 0.3 1 220 24 24 ALA CA C 53.4 0.3 1 221 24 24 ALA CB C 18.7 0.3 1 222 24 24 ALA N N 121.8 0.3 1 223 25 25 LEU H H 7.80 0.02 1 224 25 25 LEU HA H 3.80 0.02 1 225 25 25 LEU HB2 H 1.82 0.02 2 226 25 25 LEU HB3 H 0.92 0.02 2 227 25 25 LEU HG H 1.12 0.02 1 228 25 25 LEU HD1 H -0.34 0.02 1 229 25 25 LEU HD2 H 0.43 0.02 1 230 25 25 LEU C C 176.5 0.3 1 231 25 25 LEU CA C 57.9 0.3 1 232 25 25 LEU CB C 40.8 0.3 1 233 25 25 LEU CG C 26.1 0.3 1 234 25 25 LEU CD1 C 23.6 0.3 1 235 25 25 LEU CD2 C 23.1 0.3 1 236 25 25 LEU N N 121.7 0.3 1 237 26 26 LYS H H 7.86 0.02 1 238 26 26 LYS HA H 3.72 0.02 1 239 26 26 LYS HB2 H 1.76 0.02 2 240 26 26 LYS HB3 H 1.75 0.02 2 241 26 26 LYS HG2 H 1.42 0.02 2 242 26 26 LYS HG3 H 1.28 0.02 2 243 26 26 LYS HD2 H 1.54 0.02 1 244 26 26 LYS HE2 H 2.87 0.02 1 245 26 26 LYS C C 178.5 0.3 1 246 26 26 LYS CA C 58.8 0.3 1 247 26 26 LYS CB C 31.5 0.3 1 248 26 26 LYS CG C 24.3 0.3 1 249 26 26 LYS CD C 28.6 0.3 1 250 26 26 LYS CE C 42.1 0.3 1 251 26 26 LYS N N 117.9 0.3 1 252 27 27 GLY H H 7.75 0.02 1 253 27 27 GLY HA2 H 3.86 0.02 2 254 27 27 GLY HA3 H 3.85 0.02 2 255 27 27 GLY C C 175.9 0.3 1 256 27 27 GLY CA C 46.5 0.3 1 257 27 27 GLY N N 103.4 0.3 1 258 28 28 LEU H H 7.63 0.02 1 259 28 28 LEU HA H 4.21 0.02 1 260 28 28 LEU HB2 H 1.52 0.02 2 261 28 28 LEU HB3 H 1.96 0.02 2 262 28 28 LEU HG H 1.50 0.02 1 263 28 28 LEU HD1 H 0.86 0.02 1 264 28 28 LEU HD2 H 0.73 0.02 1 265 28 28 LEU C C 178.0 0.3 1 266 28 28 LEU CA C 57.4 0.3 1 267 28 28 LEU CB C 41.5 0.3 1 268 28 28 LEU CG C 26.9 0.3 1 269 28 28 LEU CD1 C 23.6 0.3 1 270 28 28 LEU CD2 C 23.6 0.3 1 271 28 28 LEU N N 122.6 0.3 1 272 29 29 VAL H H 8.47 0.02 1 273 29 29 VAL HA H 3.26 0.02 1 274 29 29 VAL HB H 2.06 0.02 1 275 29 29 VAL HG1 H 0.85 0.02 1 276 29 29 VAL HG2 H 0.81 0.02 1 277 29 29 VAL C C 177.4 0.3 1 278 29 29 VAL CA C 67.5 0.3 1 279 29 29 VAL CB C 31.1 0.3 1 280 29 29 VAL CG1 C 23.7 0.3 1 281 29 29 VAL CG2 C 20.5 0.3 1 282 29 29 VAL N N 119.8 0.3 1 283 30 30 ASP H H 8.30 0.02 1 284 30 30 ASP HA H 4.33 0.02 1 285 30 30 ASP HB2 H 2.75 0.02 2 286 30 30 ASP HB3 H 2.60 0.02 2 287 30 30 ASP C C 179.6 0.3 1 288 30 30 ASP CA C 57.1 0.3 1 289 30 30 ASP CB C 39.8 0.3 1 290 30 30 ASP N N 118.8 0.3 1 291 31 31 LYS H H 7.46 0.02 1 292 31 31 LYS HA H 4.06 0.02 1 293 31 31 LYS HB2 H 1.97 0.02 2 294 31 31 LYS HB3 H 1.83 0.02 2 295 31 31 LYS HG2 H 1.47 0.02 1 296 31 31 LYS HD2 H 1.64 0.02 1 297 31 31 LYS HE2 H 2.93 0.02 1 298 31 31 LYS C C 179.4 0.3 1 299 31 31 LYS CA C 58.8 0.3 1 300 31 31 LYS CB C 31.9 0.3 1 301 31 31 LYS CG C 24.9 0.3 1 302 31 31 LYS CD C 28.5 0.3 1 303 31 31 LYS CE C 41.9 0.3 1 304 31 31 LYS N N 119.3 0.3 1 305 32 32 LEU H H 8.53 0.02 1 306 32 32 LEU HA H 3.97 0.02 1 307 32 32 LEU HB2 H 2.00 0.02 2 308 32 32 LEU HB3 H 1.23 0.02 2 309 32 32 LEU HG H 0.83 0.02 1 310 32 32 LEU HD1 H 0.77 0.02 1 311 32 32 LEU HD2 H 0.79 0.02 1 312 32 32 LEU C C 179.4 0.3 1 313 32 32 LEU CA C 57.4 0.3 1 314 32 32 LEU CB C 42.3 0.3 1 315 32 32 LEU CG C 24.9 0.3 1 316 32 32 LEU CD1 C 23.1 0.3 1 317 32 32 LEU CD2 C 24.3 0.3 1 318 32 32 LEU N N 119.2 0.3 1 319 33 33 GLN H H 9.00 0.02 1 320 33 33 GLN HA H 4.00 0.02 1 321 33 33 GLN HB2 H 2.20 0.02 2 322 33 33 GLN HB3 H 2.01 0.02 2 323 33 33 GLN HG2 H 2.50 0.02 2 324 33 33 GLN HG3 H 2.27 0.02 2 325 33 33 GLN HE21 H 7.16 0.02 1 326 33 33 GLN HE22 H 6.75 0.02 1 327 33 33 GLN C C 178.2 0.3 1 328 33 33 GLN CA C 58.1 0.3 1 329 33 33 GLN CB C 27.5 0.3 1 330 33 33 GLN CG C 34.0 0.3 1 331 33 33 GLN N N 120.6 0.3 1 332 33 33 GLN NE2 N 111.1 0.3 1 333 34 34 ALA H H 7.32 0.02 1 334 34 34 ALA HA H 4.13 0.02 1 335 34 34 ALA HB H 1.47 0.02 1 336 34 34 ALA C C 179.3 0.3 1 337 34 34 ALA CA C 54.0 0.3 1 338 34 34 ALA CB C 17.4 0.3 1 339 34 34 ALA N N 120.8 0.3 1 340 35 35 LEU H H 7.47 0.02 1 341 35 35 LEU HA H 4.17 0.02 1 342 35 35 LEU HB2 H 1.83 0.02 2 343 35 35 LEU HB3 H 1.26 0.02 2 344 35 35 LEU HG H 1.74 0.02 1 345 35 35 LEU HD1 H 0.80 0.02 1 346 35 35 LEU HD2 H 0.82 0.02 1 347 35 35 LEU C C 178.7 0.3 1 348 35 35 LEU CA C 56.2 0.3 1 349 35 35 LEU CB C 42.7 0.3 1 350 35 35 LEU CG C 26.2 0.3 1 351 35 35 LEU CD1 C 22.1 0.3 1 352 35 35 LEU CD2 C 25.5 0.3 1 353 35 35 LEU N N 116.6 0.3 1 354 36 36 THR H H 8.14 0.02 1 355 36 36 THR HA H 4.28 0.02 1 356 36 36 THR HB H 4.30 0.02 1 357 36 36 THR HG2 H 1.18 0.02 1 358 36 36 THR C C 177.9 0.3 1 359 36 36 THR CA C 63.7 0.3 1 360 36 36 THR CB C 69.4 0.3 1 361 36 36 THR CG2 C 21.2 0.3 1 362 36 36 THR N N 108.3 0.3 1 363 37 37 GLY H H 7.75 0.02 1 364 37 37 GLY HA2 H 3.96 0.02 2 365 37 37 GLY HA3 H 4.21 0.02 2 366 37 37 GLY C C 174.2 0.3 1 367 37 37 GLY CA C 44.9 0.3 1 368 37 37 GLY N N 109.2 0.3 1 369 38 38 ASN H H 8.63 0.02 1 370 38 38 ASN HA H 4.42 0.02 1 371 38 38 ASN HB2 H 2.80 0.02 1 372 38 38 ASN HD21 H 6.96 0.02 1 373 38 38 ASN HD22 H 7.67 0.02 1 374 38 38 ASN C C 176.5 0.3 1 375 38 38 ASN CA C 55.1 0.3 1 376 38 38 ASN CB C 38.0 0.3 1 377 38 38 ASN N N 116.4 0.3 1 378 38 38 ASN ND2 N 113.0 0.3 1 379 39 39 GLU H H 8.91 0.02 1 380 39 39 GLU HA H 4.48 0.02 1 381 39 39 GLU HB2 H 2.28 0.02 2 382 39 39 GLU HB3 H 1.96 0.02 2 383 39 39 GLU HG2 H 2.29 0.02 1 384 39 39 GLU C C 177.6 0.3 1 385 39 39 GLU CA C 56.1 0.3 1 386 39 39 GLU CB C 29.2 0.3 1 387 39 39 GLU CG C 36.2 0.3 1 388 39 39 GLU N N 115.9 0.3 1 389 40 40 GLY H H 7.13 0.02 1 390 40 40 GLY HA2 H 3.60 0.02 2 391 40 40 GLY HA3 H 4.23 0.02 2 392 40 40 GLY C C 171.7 0.3 1 393 40 40 GLY CA C 43.5 0.3 1 394 40 40 GLY N N 106.8 0.3 1 395 41 41 ARG H H 8.27 0.02 1 396 41 41 ARG HA H 4.48 0.02 1 397 41 41 ARG HB2 H 1.27 0.02 1 398 41 41 ARG HG2 H 1.27 0.02 2 399 41 41 ARG HG3 H 1.37 0.02 2 400 41 41 ARG HD2 H 2.90 0.02 2 401 41 41 ARG HD3 H 2.74 0.02 2 402 41 41 ARG C C 173.8 0.3 1 403 41 41 ARG CA C 55.7 0.3 1 404 41 41 ARG CB C 33.4 0.3 1 405 41 41 ARG CG C 26.7 0.3 1 406 41 41 ARG CD C 43.0 0.3 1 407 41 41 ARG N N 118.1 0.3 1 408 42 42 VAL H H 8.60 0.02 1 409 42 42 VAL HA H 5.03 0.02 1 410 42 42 VAL HB H 1.97 0.02 1 411 42 42 VAL HG1 H 0.77 0.02 1 412 42 42 VAL HG2 H 0.77 0.02 1 413 42 42 VAL C C 175.6 0.3 1 414 42 42 VAL CA C 60.2 0.3 1 415 42 42 VAL CB C 32.5 0.3 1 416 42 42 VAL CG1 C 21.7 0.3 1 417 42 42 VAL CG2 C 21.6 0.3 1 418 42 42 VAL N N 124.3 0.3 1 419 43 43 SER H H 9.39 0.02 1 420 43 43 SER HA H 4.84 0.02 1 421 43 43 SER HB2 H 4.03 0.02 2 422 43 43 SER HB3 H 3.59 0.02 2 423 43 43 SER C C 172.5 0.3 1 424 43 43 SER CA C 57.6 0.3 1 425 43 43 SER CB C 64.3 0.3 1 426 43 43 SER N N 125.0 0.3 1 427 44 44 VAL H H 8.83 0.02 1 428 44 44 VAL HA H 4.72 0.02 1 429 44 44 VAL HB H 2.11 0.02 1 430 44 44 VAL HG1 H 0.87 0.02 1 431 44 44 VAL HG2 H 0.85 0.02 1 432 44 44 VAL C C 176.0 0.3 1 433 44 44 VAL CA C 61.3 0.3 1 434 44 44 VAL CB C 32.2 0.3 1 435 44 44 VAL CG1 C 21.8 0.3 1 436 44 44 VAL CG2 C 21.7 0.3 1 437 44 44 VAL N N 126.4 0.3 1 438 45 45 GLU H H 9.08 0.02 1 439 45 45 GLU HA H 4.84 0.02 1 440 45 45 GLU HB2 H 1.90 0.02 2 441 45 45 GLU HB3 H 1.48 0.02 2 442 45 45 GLU HG2 H 2.00 0.02 2 443 45 45 GLU HG3 H 1.91 0.02 2 444 45 45 GLU C C 173.5 0.3 1 445 45 45 GLU CA C 53.7 0.3 1 446 45 45 GLU CB C 32.7 0.3 1 447 45 45 GLU CG C 33.7 0.3 1 448 45 45 GLU N N 125.9 0.3 1 449 46 46 ASN H H 8.76 0.02 1 450 46 46 ASN HA H 3.55 0.02 1 451 46 46 ASN HB2 H 2.11 0.02 2 452 46 46 ASN HB3 H 1.97 0.02 2 453 46 46 ASN HD21 H 5.05 0.02 1 454 46 46 ASN HD22 H 6.36 0.02 1 455 46 46 ASN C C 177.6 0.3 1 456 46 46 ASN CA C 51.3 0.3 1 457 46 46 ASN CB C 38.7 0.3 1 458 46 46 ASN N N 124.9 0.3 1 459 46 46 ASN ND2 N 111.3 0.3 1 460 47 47 ILE H H 8.67 0.02 1 461 47 47 ILE HA H 3.60 0.02 1 462 47 47 ILE HB H 1.53 0.02 1 463 47 47 ILE HG12 H 1.36 0.02 2 464 47 47 ILE HG13 H 1.23 0.02 2 465 47 47 ILE HG2 H 0.91 0.02 1 466 47 47 ILE HD1 H 0.70 0.02 1 467 47 47 ILE C C 175.4 0.3 1 468 47 47 ILE CA C 65.1 0.3 1 469 47 47 ILE CB C 38.4 0.3 1 470 47 47 ILE CG1 C 29.5 0.3 1 471 47 47 ILE CG2 C 17.3 0.3 1 472 47 47 ILE CD1 C 13.6 0.3 1 473 47 47 ILE N N 128.6 0.3 1 474 48 48 LYS H H 8.04 0.02 1 475 48 48 LYS HA H 4.08 0.02 1 476 48 48 LYS HB2 H 1.75 0.02 2 477 48 48 LYS HB3 H 1.69 0.02 2 478 48 48 LYS HG2 H 1.47 0.02 2 479 48 48 LYS HG3 H 1.34 0.02 2 480 48 48 LYS HD2 H 1.64 0.02 1 481 48 48 LYS HE2 H 2.94 0.02 1 482 48 48 LYS C C 177.3 0.3 1 483 48 48 LYS CA C 56.8 0.3 1 484 48 48 LYS CB C 31.4 0.3 1 485 48 48 LYS CG C 24.8 0.3 1 486 48 48 LYS CD C 28.7 0.3 1 487 48 48 LYS CE C 41.4 0.3 1 488 48 48 LYS N N 118.5 0.3 1 489 49 49 GLN H H 7.73 0.02 1 490 49 49 GLN HA H 4.42 0.02 1 491 49 49 GLN HB2 H 2.22 0.02 2 492 49 49 GLN HB3 H 2.05 0.02 2 493 49 49 GLN HG2 H 2.28 0.02 2 494 49 49 GLN HG3 H 2.35 0.02 2 495 49 49 GLN HE21 H 7.52 0.02 1 496 49 49 GLN HE22 H 6.82 0.02 1 497 49 49 GLN C C 176.7 0.3 1 498 49 49 GLN CA C 55.0 0.3 1 499 49 49 GLN CB C 29.7 0.3 1 500 49 49 GLN CG C 33.7 0.3 1 501 49 49 GLN N N 116.8 0.3 1 502 49 49 GLN NE2 N 111.6 0.3 1 503 50 50 LEU H H 7.46 0.02 1 504 50 50 LEU HA H 4.12 0.02 1 505 50 50 LEU HB2 H 1.44 0.02 1 506 50 50 LEU HG H 1.66 0.02 1 507 50 50 LEU HD1 H 0.82 0.02 1 508 50 50 LEU C C 178.0 0.3 1 509 50 50 LEU CA C 58.1 0.3 1 510 50 50 LEU CB C 42.2 0.3 1 511 50 50 LEU CG C 24.9 0.3 1 512 50 50 LEU CD1 C 24.9 0.3 1 513 50 50 LEU CD2 C 24.9 0.3 1 514 50 50 LEU N N 121.5 0.3 1 515 51 51 LEU H H 8.14 0.02 1 516 51 51 LEU HA H 3.95 0.02 1 517 51 51 LEU HB2 H 1.63 0.02 2 518 51 51 LEU HB3 H 1.54 0.02 2 519 51 51 LEU HG H 1.44 0.02 1 520 51 51 LEU HD1 H 0.83 0.02 1 521 51 51 LEU HD2 H 0.78 0.02 1 522 51 51 LEU C C 179.3 0.3 1 523 51 51 LEU CA C 57.5 0.3 1 524 51 51 LEU CB C 40.4 0.3 1 525 51 51 LEU CG C 26.3 0.3 1 526 51 51 LEU CD1 C 23.0 0.3 1 527 51 51 LEU CD2 C 23.6 0.3 1 528 51 51 LEU N N 115.9 0.3 1 529 52 52 GLN H H 7.92 0.02 1 530 52 52 GLN HA H 4.07 0.02 1 531 52 52 GLN HB2 H 2.10 0.02 1 532 52 52 GLN HG2 H 2.38 0.02 1 533 52 52 GLN HE21 H 7.48 0.02 1 534 52 52 GLN HE22 H 6.77 0.02 1 535 52 52 GLN C C 177.1 0.3 1 536 52 52 GLN CA C 56.9 0.3 1 537 52 52 GLN CB C 27.9 0.3 1 538 52 52 GLN CG C 33.7 0.3 1 539 52 52 GLN N N 118.8 0.3 1 540 52 52 GLN NE2 N 111.5 0.3 1 541 53 53 SER H H 8.16 0.02 1 542 53 53 SER HA H 4.07 0.02 1 543 53 53 SER HB2 H 3.77 0.02 2 544 53 53 SER HB3 H 3.49 0.02 2 545 53 53 SER CA C 59.8 0.3 1 546 53 53 SER CB C 61.9 0.3 1 547 53 53 SER N N 115.9 0.3 1 548 54 54 ALA H H 7.68 0.02 1 549 54 54 ALA HA H 3.98 0.02 1 550 54 54 ALA HB H 1.14 0.02 1 551 54 54 ALA C C 177.4 0.3 1 552 54 54 ALA CA C 51.9 0.3 1 553 54 54 ALA CB C 16.8 0.3 1 554 54 54 ALA N N 120.8 0.3 1 555 55 55 HIS H H 8.84 0.02 1 556 55 55 HIS HA H 4.33 0.02 1 557 55 55 HIS HB2 H 3.10 0.02 2 558 55 55 HIS HB3 H 3.03 0.02 2 559 55 55 HIS HD2 H 6.98 0.02 1 560 55 55 HIS HE1 H 7.94 0.02 1 561 55 55 HIS C C 175.9 0.3 1 562 55 55 HIS CA C 57.0 0.3 1 563 55 55 HIS CB C 30.8 0.3 1 564 55 55 HIS N N 117.8 0.3 1 565 55 55 HIS ND1 N 234.3 0.3 1 566 55 55 HIS NE2 N 169.4 0.3 1 567 56 56 LYS H H 8.57 0.02 1 568 56 56 LYS HA H 4.12 0.02 1 569 56 56 LYS HB2 H 1.66 0.02 2 570 56 56 LYS HB3 H 1.71 0.02 2 571 56 56 LYS HG2 H 1.59 0.02 1 572 56 56 LYS HD2 H 1.70 0.02 1 573 56 56 LYS HE2 H 2.98 0.02 1 574 56 56 LYS C C 177.0 0.3 1 575 56 56 LYS CA C 55.9 0.3 1 576 56 56 LYS CB C 31.9 0.3 1 577 56 56 LYS CG C 24.3 0.3 1 578 56 56 LYS CD C 28.6 0.3 1 579 56 56 LYS CE C 41.6 0.3 1 580 56 56 LYS N N 120.5 0.3 1 581 57 57 GLU H H 8.57 0.02 1 582 57 57 GLU HA H 3.90 0.02 1 583 57 57 GLU HB2 H 2.07 0.02 2 584 57 57 GLU HB3 H 1.90 0.02 2 585 57 57 GLU HG2 H 2.38 0.02 2 586 57 57 GLU HG3 H 2.43 0.02 2 587 57 57 GLU C C 175.7 0.3 1 588 57 57 GLU CA C 56.2 0.3 1 589 57 57 GLU CB C 28.7 0.3 1 590 57 57 GLU CG C 34.6 0.3 1 591 57 57 GLU N N 123.9 0.3 1 592 58 58 SER H H 8.61 0.02 1 593 58 58 SER HA H 3.84 0.02 1 594 58 58 SER HB2 H 3.93 0.02 2 595 58 58 SER HB3 H 4.04 0.02 2 596 58 58 SER CA C 57.4 0.3 1 597 58 58 SER CB C 61.1 0.3 1 598 58 58 SER N N 114.4 0.3 1 599 59 59 SER H H 8.21 0.02 1 600 59 59 SER HA H 4.33 0.02 1 601 59 59 SER HB2 H 3.43 0.02 2 602 59 59 SER HB3 H 2.93 0.02 2 603 59 59 SER C C 174.0 0.3 1 604 59 59 SER CA C 59.3 0.3 1 605 59 59 SER CB C 65.1 0.3 1 606 59 59 SER N N 112.7 0.3 1 607 60 60 PHE H H 8.25 0.02 1 608 60 60 PHE HA H 4.78 0.02 1 609 60 60 PHE HB2 H 2.98 0.02 2 610 60 60 PHE HB3 H 2.44 0.02 2 611 60 60 PHE HD1 H 6.88 0.02 1 612 60 60 PHE HE1 H 6.73 0.02 1 613 60 60 PHE HZ H 6.53 0.02 1 614 60 60 PHE C C 174.5 0.3 1 615 60 60 PHE CA C 57.4 0.3 1 616 60 60 PHE CB C 41.1 0.3 1 617 60 60 PHE N N 116.8 0.3 1 618 61 61 ASP H H 9.50 0.02 1 619 61 61 ASP HA H 4.66 0.02 1 620 61 61 ASP HB2 H 2.92 0.02 2 621 61 61 ASP HB3 H 2.70 0.02 2 622 61 61 ASP C C 175.3 0.3 1 623 61 61 ASP CA C 57.4 0.3 1 624 61 61 ASP CB C 43.2 0.3 1 625 61 61 ASP N N 121.3 0.3 1 626 62 62 ILE H H 7.61 0.02 1 627 62 62 ILE HA H 5.39 0.02 1 628 62 62 ILE HB H 1.75 0.02 1 629 62 62 ILE HG12 H 1.58 0.02 2 630 62 62 ILE HG13 H 1.23 0.02 2 631 62 62 ILE HG2 H 1.03 0.02 1 632 62 62 ILE HD1 H 0.94 0.02 1 633 62 62 ILE C C 174.5 0.3 1 634 62 62 ILE CA C 58.0 0.3 1 635 62 62 ILE CB C 42.4 0.3 1 636 62 62 ILE CG1 C 27.4 0.3 1 637 62 62 ILE CG2 C 13.1 0.3 1 638 62 62 ILE CD1 C 17.1 0.3 1 639 62 62 ILE N N 116.0 0.3 1 640 63 63 ILE H H 8.57 0.02 1 641 63 63 ILE HA H 4.86 0.02 1 642 63 63 ILE HB H 1.38 0.02 1 643 63 63 ILE HG12 H 0.78 0.02 2 644 63 63 ILE HG13 H 1.56 0.02 2 645 63 63 ILE HG2 H 0.56 0.02 1 646 63 63 ILE HD1 H 0.67 0.02 1 647 63 63 ILE C C 172.8 0.3 1 648 63 63 ILE CA C 59.4 0.3 1 649 63 63 ILE CB C 40.5 0.3 1 650 63 63 ILE CG1 C 27.4 0.3 1 651 63 63 ILE CG2 C 15.4 0.3 1 652 63 63 ILE CD1 C 14.8 0.3 1 653 63 63 ILE N N 124.9 0.3 1 654 64 64 LEU H H 8.72 0.02 1 655 64 64 LEU HA H 5.37 0.02 1 656 64 64 LEU HB2 H 1.78 0.02 2 657 64 64 LEU HB3 H 1.17 0.02 2 658 64 64 LEU HG H 1.42 0.02 1 659 64 64 LEU HD1 H 0.26 0.02 1 660 64 64 LEU HD2 H 0.55 0.02 1 661 64 64 LEU C C 176.0 0.3 1 662 64 64 LEU CA C 52.4 0.3 1 663 64 64 LEU CB C 43.0 0.3 1 664 64 64 LEU CG C 26.9 0.3 1 665 64 64 LEU CD1 C 24.2 0.3 1 666 64 64 LEU CD2 C 25.5 0.3 1 667 64 64 LEU N N 125.8 0.3 1 668 65 65 SER H H 9.03 0.02 1 669 65 65 SER HA H 5.04 0.02 1 670 65 65 SER HB2 H 3.61 0.02 2 671 65 65 SER HB3 H 3.04 0.02 2 672 65 65 SER C C 174.3 0.3 1 673 65 65 SER CA C 58.9 0.3 1 674 65 65 SER CB C 63.6 0.3 1 675 65 65 SER N N 118.8 0.3 1 676 66 66 GLY H H 7.37 0.02 1 677 66 66 GLY HA2 H 3.78 0.02 2 678 66 66 GLY HA3 H 4.78 0.02 2 679 66 66 GLY C C 172.9 0.3 1 680 66 66 GLY CA C 45.5 0.3 1 681 66 66 GLY N N 116.0 0.3 1 682 67 67 LEU H H 7.60 0.02 1 683 67 67 LEU HA H 4.05 0.02 1 684 67 67 LEU HB2 H 1.54 0.02 2 685 67 67 LEU HB3 H 1.25 0.02 2 686 67 67 LEU HG H 0.68 0.02 1 687 67 67 LEU HD1 H 0.78 0.02 1 688 67 67 LEU HD2 H 0.73 0.02 1 689 67 67 LEU C C 177.8 0.3 1 690 67 67 LEU CA C 54.1 0.3 1 691 67 67 LEU CB C 43.8 0.3 1 692 67 67 LEU CG C 26.1 0.3 1 693 67 67 LEU CD1 C 25.6 0.3 1 694 67 67 LEU CD2 C 25.6 0.3 1 695 67 67 LEU N N 116.0 0.3 1 696 68 68 VAL H H 8.05 0.02 1 697 68 68 VAL HA H 3.68 0.02 1 698 68 68 VAL HB H 1.98 0.02 1 699 68 68 VAL HG1 H 0.94 0.02 1 700 68 68 VAL HG2 H 0.75 0.02 1 701 68 68 VAL C C 174.9 0.3 1 702 68 68 VAL CA C 61.7 0.3 1 703 68 68 VAL CB C 30.5 0.3 1 704 68 68 VAL CG1 C 23.0 0.3 1 705 68 68 VAL CG2 C 21.2 0.3 1 706 68 68 VAL N N 122.5 0.3 1 707 69 69 PRO HA H 3.98 0.02 1 708 69 69 PRO HB2 H 2.22 0.02 2 709 69 69 PRO HB3 H 1.82 0.02 2 710 69 69 PRO HG2 H 2.08 0.02 2 711 69 69 PRO HG3 H 1.81 0.02 2 712 69 69 PRO HD2 H 4.08 0.02 2 713 69 69 PRO HD3 H 3.35 0.02 2 714 69 69 PRO C C 175.1 0.3 1 715 69 69 PRO CA C 65.2 0.3 1 716 69 69 PRO CB C 31.4 0.3 1 717 69 69 PRO CG C 26.9 0.3 1 718 69 69 PRO CD C 50.9 0.3 1 719 70 70 GLY H H 8.34 0.02 1 720 70 70 GLY HA2 H 3.70 0.02 2 721 70 70 GLY HA3 H 4.33 0.02 2 722 70 70 GLY C C 173.7 0.3 1 723 70 70 GLY CA C 44.2 0.3 1 724 70 70 GLY N N 114.1 0.3 1 725 71 71 SER H H 7.98 0.02 1 726 71 71 SER HA H 4.39 0.02 1 727 71 71 SER HB2 H 3.83 0.02 2 728 71 71 SER HB3 H 3.59 0.02 2 729 71 71 SER C C 174.6 0.3 1 730 71 71 SER CA C 59.3 0.3 1 731 71 71 SER CB C 63.1 0.3 1 732 71 71 SER N N 113.6 0.3 1 733 72 72 THR H H 9.29 0.02 1 734 72 72 THR HA H 4.45 0.02 1 735 72 72 THR HB H 3.99 0.02 1 736 72 72 THR HG2 H 1.31 0.02 1 737 72 72 THR C C 174.6 0.3 1 738 72 72 THR CA C 57.1 0.3 1 739 72 72 THR CB C 71.5 0.3 1 740 72 72 THR CG2 C 20.6 0.3 1 741 72 72 THR N N 113.1 0.3 1 742 73 73 THR H H 9.32 0.02 1 743 73 73 THR HA H 4.08 0.02 1 744 73 73 THR HB H 3.56 0.02 1 745 73 73 THR HG2 H 0.41 0.02 1 746 73 73 THR C C 170.8 0.3 1 747 73 73 THR CA C 63.1 0.3 1 748 73 73 THR CB C 71.8 0.3 1 749 73 73 THR CG2 C 21.1 0.3 1 750 73 73 THR N N 126.3 0.3 1 751 74 74 LEU H H 7.92 0.02 1 752 74 74 LEU HA H 4.49 0.02 1 753 74 74 LEU HB2 H 1.60 0.02 2 754 74 74 LEU HB3 H 1.30 0.02 2 755 74 74 LEU HG H 1.62 0.02 1 756 74 74 LEU HD1 H 0.87 0.02 1 757 74 74 LEU C C 176.6 0.3 1 758 74 74 LEU CA C 52.1 0.3 1 759 74 74 LEU CB C 42.4 0.3 1 760 74 74 LEU CG C 26.3 0.3 1 761 74 74 LEU CD1 C 25.5 0.3 1 762 74 74 LEU CD2 C 25.4 0.3 1 763 74 74 LEU N N 120.9 0.3 1 764 75 75 HIS H H 9.39 0.02 1 765 75 75 HIS HA H 4.21 0.02 1 766 75 75 HIS HB2 H 3.02 0.02 2 767 75 75 HIS HB3 H 2.54 0.02 2 768 75 75 HIS HD1 H 6.76 0.02 1 769 75 75 HIS HD2 H 6.33 0.02 1 770 75 75 HIS HE1 H 7.53 0.02 1 771 75 75 HIS C C 174.6 0.3 1 772 75 75 HIS CA C 57.3 0.3 1 773 75 75 HIS CB C 28.1 0.3 1 774 75 75 HIS N N 122.5 0.3 1 775 75 75 HIS ND1 N 244.6 0.3 1 776 75 75 HIS NE2 N 174.0 0.3 1 777 76 76 SER H H 8.27 0.02 1 778 76 76 SER HA H 4.48 0.02 1 779 76 76 SER HB2 H 4.03 0.02 2 780 76 76 SER HB3 H 4.40 0.02 2 781 76 76 SER C C 174.0 0.3 1 782 76 76 SER CA C 56.2 0.3 1 783 76 76 SER CB C 64.9 0.3 1 784 76 76 SER N N 121.9 0.3 1 785 77 77 ALA H H 9.00 0.02 1 786 77 77 ALA HA H 4.01 0.02 1 787 77 77 ALA HB H 1.42 0.02 1 788 77 77 ALA C C 180.5 0.3 1 789 77 77 ALA CA C 54.9 0.3 1 790 77 77 ALA CB C 17.5 0.3 1 791 77 77 ALA N N 123.1 0.3 1 792 78 78 GLU H H 9.01 0.02 1 793 78 78 GLU HA H 4.06 0.02 1 794 78 78 GLU HB2 H 2.06 0.02 2 795 78 78 GLU HB3 H 1.92 0.02 2 796 78 78 GLU HG2 H 2.40 0.02 2 797 78 78 GLU HG3 H 2.24 0.02 2 798 78 78 GLU C C 179.3 0.3 1 799 78 78 GLU CA C 59.9 0.3 1 800 78 78 GLU CB C 28.0 0.3 1 801 78 78 GLU CG C 36.6 0.3 1 802 78 78 GLU N N 117.5 0.3 1 803 79 79 ILE H H 7.64 0.02 1 804 79 79 ILE HA H 3.92 0.02 1 805 79 79 ILE HB H 2.19 0.02 1 806 79 79 ILE HG12 H 1.51 0.02 2 807 79 79 ILE HG13 H 1.48 0.02 2 808 79 79 ILE HG2 H 0.98 0.02 1 809 79 79 ILE HD1 H 0.86 0.02 1 810 79 79 ILE C C 177.3 0.3 1 811 79 79 ILE CA C 61.2 0.3 1 812 79 79 ILE CB C 35.6 0.3 1 813 79 79 ILE CG1 C 27.9 0.3 1 814 79 79 ILE CG2 C 16.8 0.3 1 815 79 79 ILE CD1 C 11.1 0.3 1 816 79 79 ILE N N 122.4 0.3 1 817 80 80 LEU H H 8.22 0.02 1 818 80 80 LEU HA H 3.91 0.02 1 819 80 80 LEU HB2 H 1.37 0.02 2 820 80 80 LEU HB3 H 1.86 0.02 2 821 80 80 LEU HG H 1.69 0.02 1 822 80 80 LEU HD1 H 0.58 0.02 1 823 80 80 LEU HD2 H 0.47 0.02 1 824 80 80 LEU C C 178.6 0.3 1 825 80 80 LEU CA C 57.6 0.3 1 826 80 80 LEU CB C 40.9 0.3 1 827 80 80 LEU CG C 26.1 0.3 1 828 80 80 LEU CD1 C 25.5 0.3 1 829 80 80 LEU CD2 C 21.6 0.3 1 830 80 80 LEU N N 120.0 0.3 1 831 81 81 ALA H H 8.23 0.02 1 832 81 81 ALA HA H 4.13 0.02 1 833 81 81 ALA HB H 1.49 0.02 1 834 81 81 ALA C C 179.9 0.3 1 835 81 81 ALA CA C 54.3 0.3 1 836 81 81 ALA CB C 17.4 0.3 1 837 81 81 ALA N N 120.1 0.3 1 838 82 82 GLU H H 7.47 0.02 1 839 82 82 GLU HA H 4.67 0.02 1 840 82 82 GLU HB2 H 2.02 0.02 2 841 82 82 GLU HB3 H 1.93 0.02 2 842 82 82 GLU HG2 H 2.12 0.02 1 843 82 82 GLU C C 177.7 0.3 1 844 82 82 GLU CA C 57.4 0.3 1 845 82 82 GLU CB C 28.0 0.3 1 846 82 82 GLU CG C 36.1 0.3 1 847 82 82 GLU N N 121.2 0.3 1 848 83 83 ILE H H 8.31 0.02 1 849 83 83 ILE HA H 3.35 0.02 1 850 83 83 ILE HB H 1.90 0.02 1 851 83 83 ILE HG12 H 0.69 0.02 2 852 83 83 ILE HG13 H 1.90 0.02 2 853 83 83 ILE HG2 H 0.78 0.02 1 854 83 83 ILE HD1 H 0.70 0.02 1 855 83 83 ILE C C 175.9 0.3 1 856 83 83 ILE CA C 65.6 0.3 1 857 83 83 ILE CB C 37.4 0.3 1 858 83 83 ILE CG1 C 30.5 0.3 1 859 83 83 ILE CG2 C 17.5 0.3 1 860 83 83 ILE CD1 C 12.9 0.3 1 861 83 83 ILE N N 119.6 0.3 1 862 84 84 ALA H H 7.89 0.02 1 863 84 84 ALA HA H 3.78 0.02 1 864 84 84 ALA HB H 1.36 0.02 1 865 84 84 ALA C C 178.8 0.3 1 866 84 84 ALA CA C 55.1 0.3 1 867 84 84 ALA CB C 17.3 0.3 1 868 84 84 ALA N N 118.3 0.3 1 869 85 85 ARG H H 7.74 0.02 1 870 85 85 ARG HA H 3.99 0.02 1 871 85 85 ARG HB2 H 2.36 0.02 2 872 85 85 ARG HB3 H 1.86 0.02 2 873 85 85 ARG HG2 H 1.63 0.02 2 874 85 85 ARG HG3 H 1.37 0.02 2 875 85 85 ARG HD2 H 3.60 0.02 2 876 85 85 ARG HD3 H 2.92 0.02 2 877 85 85 ARG C C 178.6 0.3 1 878 85 85 ARG CA C 59.3 0.3 1 879 85 85 ARG CB C 31.2 0.3 1 880 85 85 ARG CG C 26.8 0.3 1 881 85 85 ARG CD C 42.4 0.3 1 882 85 85 ARG N N 117.9 0.3 1 883 86 86 ILE H H 7.82 0.02 1 884 86 86 ILE HA H 4.49 0.02 1 885 86 86 ILE HB H 2.29 0.02 1 886 86 86 ILE HG12 H 1.91 0.02 2 887 86 86 ILE HG13 H 1.28 0.02 2 888 86 86 ILE HG2 H 0.85 0.02 1 889 86 86 ILE HD1 H 0.65 0.02 1 890 86 86 ILE C C 176.4 0.3 1 891 86 86 ILE CA C 62.8 0.3 1 892 86 86 ILE CB C 37.4 0.3 1 893 86 86 ILE CG1 C 24.2 0.3 1 894 86 86 ILE CG2 C 17.5 0.3 1 895 86 86 ILE CD1 C 12.7 0.3 1 896 86 86 ILE N N 109.0 0.3 1 897 87 87 LEU H H 7.61 0.02 1 898 87 87 LEU HA H 4.57 0.02 1 899 87 87 LEU HB2 H 1.80 0.02 2 900 87 87 LEU HB3 H 1.42 0.02 2 901 87 87 LEU HD1 H 0.60 0.02 1 902 87 87 LEU HD2 H 0.60 0.02 1 903 87 87 LEU C C 176.0 0.3 1 904 87 87 LEU CA C 54.8 0.3 1 905 87 87 LEU CB C 43.3 0.3 1 906 87 87 LEU CD1 C 25.6 0.3 1 907 87 87 LEU CD2 C 24.3 0.3 1 908 87 87 LEU N N 126.9 0.3 1 909 88 88 ARG H H 8.83 0.02 1 910 88 88 ARG HA H 4.28 0.02 1 911 88 88 ARG HB2 H 1.62 0.02 2 912 88 88 ARG HB3 H 1.48 0.02 2 913 88 88 ARG HG2 H 1.34 0.02 2 914 88 88 ARG HG3 H 1.55 0.02 2 915 88 88 ARG HD2 H 3.01 0.02 2 916 88 88 ARG HD3 H 2.95 0.02 2 917 88 88 ARG C C 174.2 0.3 1 918 88 88 ARG CA C 54.3 0.3 1 919 88 88 ARG CB C 29.3 0.3 1 920 88 88 ARG CG C 26.8 0.3 1 921 88 88 ARG CD C 43.1 0.3 1 922 88 88 ARG N N 121.5 0.3 1 923 89 89 PRO HA H 3.89 0.02 1 924 89 89 PRO HB2 H 2.43 0.02 2 925 89 89 PRO HB3 H 1.88 0.02 2 926 89 89 PRO HG2 H 2.20 0.02 2 927 89 89 PRO HG3 H 1.92 0.02 2 928 89 89 PRO HD2 H 4.03 0.02 2 929 89 89 PRO HD3 H 3.61 0.02 2 930 89 89 PRO CA C 64.3 0.3 1 931 89 89 PRO CB C 31.2 0.3 1 932 89 89 PRO CG C 28.1 0.3 1 933 89 89 PRO CD C 49.4 0.3 1 934 90 90 GLY H H 8.41 0.02 1 935 90 90 GLY HA2 H 3.60 0.02 2 936 90 90 GLY HA3 H 4.24 0.02 2 937 90 90 GLY C C 173.4 0.3 1 938 90 90 GLY CA C 45.0 0.3 1 939 90 90 GLY N N 115.9 0.3 1 940 91 91 GLY H H 9.01 0.02 1 941 91 91 GLY HA2 H 3.76 0.02 2 942 91 91 GLY HA3 H 4.57 0.02 2 943 91 91 GLY C C 172.0 0.3 1 944 91 91 GLY CA C 44.8 0.3 1 945 91 91 GLY N N 110.0 0.3 1 946 92 92 CYS H H 7.88 0.02 1 947 92 92 CYS HA H 5.19 0.02 1 948 92 92 CYS HB2 H 2.75 0.02 2 949 92 92 CYS HB3 H 2.42 0.02 2 950 92 92 CYS C C 171.4 0.3 1 951 92 92 CYS CA C 56.8 0.3 1 952 92 92 CYS CB C 31.7 0.3 1 953 92 92 CYS N N 113.9 0.3 1 954 93 93 LEU H H 8.39 0.02 1 955 93 93 LEU HA H 5.10 0.02 1 956 93 93 LEU HB2 H 1.36 0.02 2 957 93 93 LEU HB3 H 1.03 0.02 2 958 93 93 LEU HG H 0.58 0.02 1 959 93 93 LEU HD1 H 0.71 0.02 1 960 93 93 LEU HD2 H 0.74 0.02 1 961 93 93 LEU C C 175.1 0.3 1 962 93 93 LEU CA C 52.0 0.3 1 963 93 93 LEU CB C 45.0 0.3 1 964 93 93 LEU CG C 24.8 0.3 1 965 93 93 LEU CD1 C 22.3 0.3 1 966 93 93 LEU CD2 C 22.4 0.3 1 967 93 93 LEU N N 123.6 0.3 1 968 94 94 PHE H H 9.07 0.02 1 969 94 94 PHE HA H 4.96 0.02 1 970 94 94 PHE HB2 H 2.61 0.02 2 971 94 94 PHE HB3 H 2.55 0.02 2 972 94 94 PHE HD1 H 6.91 0.02 1 973 94 94 PHE HE1 H 7.33 0.02 1 974 94 94 PHE HZ H 7.38 0.02 1 975 94 94 PHE C C 172.3 0.3 1 976 94 94 PHE CA C 57.5 0.3 1 977 94 94 PHE CB C 41.0 0.3 1 978 94 94 PHE N N 124.7 0.3 1 979 95 95 LEU H H 8.97 0.02 1 980 95 95 LEU HA H 5.63 0.02 1 981 95 95 LEU HB2 H 1.20 0.02 2 982 95 95 LEU HB3 H 1.14 0.02 2 983 95 95 LEU HG H 1.15 0.02 1 984 95 95 LEU HD1 H 0.38 0.02 1 985 95 95 LEU HD2 H 0.07 0.02 1 986 95 95 LEU C C 173.8 0.3 1 987 95 95 LEU CA C 52.6 0.3 1 988 95 95 LEU CB C 45.6 0.3 1 989 95 95 LEU CG C 26.8 0.3 1 990 95 95 LEU CD1 C 26.2 0.3 1 991 95 95 LEU CD2 C 26.6 0.3 1 992 95 95 LEU N N 123.9 0.3 1 993 96 96 LYS H H 8.04 0.02 1 994 96 96 LYS HA H 5.68 0.02 1 995 96 96 LYS HB2 H 1.69 0.02 2 996 96 96 LYS HB3 H 1.29 0.02 2 997 96 96 LYS HG2 H 1.14 0.02 1 998 96 96 LYS HD2 H 1.21 0.02 1 999 96 96 LYS HE2 H 3.04 0.02 1 1000 96 96 LYS C C 174.7 0.3 1 1001 96 96 LYS CA C 54.3 0.3 1 1002 96 96 LYS CB C 36.2 0.3 1 1003 96 96 LYS CG C 24.9 0.3 1 1004 96 96 LYS CD C 29.8 0.3 1 1005 96 96 LYS CE C 43.1 0.3 1 1006 96 96 LYS N N 124.7 0.3 1 1007 97 97 GLU H H 8.37 0.02 1 1008 97 97 GLU HA H 5.41 0.02 1 1009 97 97 GLU HB2 H 1.77 0.02 2 1010 97 97 GLU HB3 H 2.44 0.02 2 1011 97 97 GLU HG2 H 2.92 0.02 1 1012 97 97 GLU C C 173.1 0.3 1 1013 97 97 GLU CA C 53.5 0.3 1 1014 97 97 GLU CB C 34.9 0.3 1 1015 97 97 GLU CG C 35.0 0.3 1 1016 97 97 GLU N N 127.0 0.3 1 1017 98 98 PRO HA H 4.99 0.02 1 1018 98 98 PRO HB2 H 1.51 0.02 2 1019 98 98 PRO HB3 H 1.40 0.02 2 1020 98 98 PRO HG2 H 1.93 0.02 2 1021 98 98 PRO HG3 H 1.43 0.02 2 1022 98 98 PRO HD2 H 3.95 0.02 1 1023 98 98 PRO CA C 61.1 0.3 1 1024 98 98 PRO CB C 30.7 0.3 1 1025 98 98 PRO CG C 26.3 0.3 1 1026 98 98 PRO CD C 50.0 0.3 1 1027 99 99 VAL H H 9.28 0.02 1 1028 99 99 VAL HA H 4.80 0.02 1 1029 99 99 VAL HB H 2.11 0.02 1 1030 99 99 VAL HG1 H 0.69 0.02 1 1031 99 99 VAL HG2 H 0.67 0.02 1 1032 99 99 VAL C C 174.5 0.3 1 1033 99 99 VAL CA C 58.0 0.3 1 1034 99 99 VAL CB C 35.5 0.3 1 1035 99 99 VAL CG1 C 21.3 0.3 1 1036 99 99 VAL CG2 C 18.3 0.3 1 1037 99 99 VAL N N 113.5 0.3 1 1038 100 100 GLU H H 8.29 0.02 1 1039 100 100 GLU HA H 4.65 0.02 1 1040 100 100 GLU HB2 H 1.98 0.02 2 1041 100 100 GLU HB3 H 1.56 0.02 2 1042 100 100 GLU HG2 H 2.22 0.02 2 1043 100 100 GLU HG3 H 2.18 0.02 2 1044 100 100 GLU C C 178.0 0.3 1 1045 100 100 GLU CA C 54.4 0.3 1 1046 100 100 GLU CB C 31.7 0.3 1 1047 100 100 GLU CG C 36.2 0.3 1 1048 100 100 GLU N N 119.4 0.3 1 1049 101 101 THR H H 8.26 0.02 1 1050 101 101 THR HA H 4.25 0.02 1 1051 101 101 THR HB H 4.30 0.02 1 1052 101 101 THR HG2 H 1.16 0.02 1 1053 101 101 THR C C 174.6 0.3 1 1054 101 101 THR CA C 62.5 0.3 1 1055 101 101 THR CB C 69.1 0.3 1 1056 101 101 THR CG2 C 21.2 0.3 1 1057 101 101 THR N N 111.6 0.3 1 1058 102 102 ALA H H 8.32 0.02 1 1059 102 102 ALA HA H 4.51 0.02 1 1060 102 102 ALA HB H 1.35 0.02 1 1061 102 102 ALA C C 176.4 0.3 1 1062 102 102 ALA CA C 51.7 0.3 1 1063 102 102 ALA CB C 19.9 0.3 1 1064 102 102 ALA N N 125.6 0.3 1 1065 103 103 VAL H H 8.14 0.02 1 1066 103 103 VAL HA H 4.05 0.02 1 1067 103 103 VAL HB H 2.05 0.02 1 1068 103 103 VAL HG1 H 0.87 0.02 1 1069 103 103 VAL HG2 H 0.91 0.02 1 1070 103 103 VAL C C 175.2 0.3 1 1071 103 103 VAL CA C 61.8 0.3 1 1072 103 103 VAL CB C 32.5 0.3 1 1073 103 103 VAL CG1 C 20.6 0.3 1 1074 103 103 VAL CG2 C 19.9 0.3 1 1075 103 103 VAL N N 117.8 0.3 1 1076 104 104 ASP H H 8.31 0.02 1 1077 104 104 ASP HA H 4.66 0.02 1 1078 104 104 ASP HB2 H 2.69 0.02 2 1079 104 104 ASP HB3 H 2.64 0.02 2 1080 104 104 ASP C C 176.0 0.3 1 1081 104 104 ASP CA C 52.7 0.3 1 1082 104 104 ASP CB C 41.1 0.3 1 1083 104 104 ASP N N 123.1 0.3 1 1084 105 105 ASN H H 8.44 0.02 1 1085 105 105 ASN HA H 4.60 0.02 1 1086 105 105 ASN HB2 H 2.76 0.02 1 1087 105 105 ASN HD21 H 7.64 0.02 1 1088 105 105 ASN HD22 H 6.93 0.02 1 1089 105 105 ASN C C 174.9 0.3 1 1090 105 105 ASN CA C 53.5 0.3 1 1091 105 105 ASN CB C 38.2 0.3 1 1092 105 105 ASN N N 119.6 0.3 1 1093 105 105 ASN ND2 N 113.0 0.3 1 1094 106 106 ASN H H 8.66 0.02 1 1095 106 106 ASN HA H 4.77 0.02 1 1096 106 106 ASN HB2 H 2.91 0.02 2 1097 106 106 ASN HB3 H 2.71 0.02 2 1098 106 106 ASN HD21 H 7.71 0.02 1 1099 106 106 ASN HD22 H 6.88 0.02 1 1100 106 106 ASN C C 174.6 0.3 1 1101 106 106 ASN CA C 52.6 0.3 1 1102 106 106 ASN CB C 38.4 0.3 1 1103 106 106 ASN N N 118.5 0.3 1 1104 106 106 ASN ND2 N 113.4 0.3 1 1105 107 107 SER H H 7.92 0.02 1 1106 107 107 SER HA H 4.49 0.02 1 1107 107 107 SER HB2 H 4.01 0.02 2 1108 107 107 SER HB3 H 3.89 0.02 2 1109 107 107 SER C C 174.5 0.3 1 1110 107 107 SER CA C 57.7 0.3 1 1111 107 107 SER CB C 63.9 0.3 1 1112 107 107 SER N N 115.7 0.3 1 1113 108 108 LYS H H 8.58 0.02 1 1114 108 108 LYS HA H 4.20 0.02 1 1115 108 108 LYS HB2 H 1.81 0.02 2 1116 108 108 LYS HB3 H 1.71 0.02 2 1117 108 108 LYS HG2 H 1.43 0.02 1 1118 108 108 LYS HD2 H 1.67 0.02 1 1119 108 108 LYS HE2 H 3.00 0.02 1 1120 108 108 LYS C C 176.1 0.3 1 1121 108 108 LYS CA C 56.9 0.3 1 1122 108 108 LYS CB C 32.2 0.3 1 1123 108 108 LYS CG C 24.3 0.3 1 1124 108 108 LYS CD C 28.7 0.3 1 1125 108 108 LYS CE C 41.8 0.3 1 1126 108 108 LYS N N 121.6 0.3 1 1127 109 109 VAL H H 7.62 0.02 1 1128 109 109 VAL HA H 4.05 0.02 1 1129 109 109 VAL HB H 1.68 0.02 1 1130 109 109 VAL HG1 H 0.73 0.02 1 1131 109 109 VAL HG2 H 0.34 0.02 1 1132 109 109 VAL C C 175.1 0.3 1 1133 109 109 VAL CA C 61.2 0.3 1 1134 109 109 VAL CB C 31.8 0.3 1 1135 109 109 VAL CG1 C 21.2 0.3 1 1136 109 109 VAL CG2 C 20.0 0.3 1 1137 109 109 VAL N N 118.0 0.3 1 1138 110 110 LYS H H 10.27 0.02 1 1139 110 110 LYS HA H 4.43 0.02 1 1140 110 110 LYS HB2 H 1.91 0.02 2 1141 110 110 LYS HB3 H 2.00 0.02 2 1142 110 110 LYS HG2 H 1.27 0.02 1 1143 110 110 LYS HD2 H 1.61 0.02 1 1144 110 110 LYS C C 175.9 0.3 1 1145 110 110 LYS CA C 55.7 0.3 1 1146 110 110 LYS CB C 35.5 0.3 1 1147 110 110 LYS CG C 27.2 0.3 1 1148 110 110 LYS CD C 29.7 0.3 1 1149 110 110 LYS N N 126.3 0.3 1 1150 111 111 THR H H 6.34 0.02 1 1151 111 111 THR HA H 5.03 0.02 1 1152 111 111 THR HB H 4.66 0.02 1 1153 111 111 THR HG2 H 1.22 0.02 1 1154 111 111 THR C C 175.8 0.3 1 1155 111 111 THR CA C 59.3 0.3 1 1156 111 111 THR CB C 71.2 0.3 1 1157 111 111 THR CG2 C 21.8 0.3 1 1158 111 111 THR N N 104.7 0.3 1 1159 112 112 ALA H H 9.48 0.02 1 1160 112 112 ALA HA H 3.93 0.02 1 1161 112 112 ALA HB H 1.43 0.02 1 1162 112 112 ALA C C 179.7 0.3 1 1163 112 112 ALA CA C 55.8 0.3 1 1164 112 112 ALA CB C 17.4 0.3 1 1165 112 112 ALA N N 123.6 0.3 1 1166 113 113 SER H H 8.51 0.02 1 1167 113 113 SER HA H 4.17 0.02 1 1168 113 113 SER HB2 H 3.84 0.02 2 1169 113 113 SER HB3 H 3.89 0.02 2 1170 113 113 SER C C 177.5 0.3 1 1171 113 113 SER CA C 61.1 0.3 1 1172 113 113 SER CB C 61.8 0.3 1 1173 113 113 SER N N 111.7 0.3 1 1174 114 114 LYS H H 7.64 0.02 1 1175 114 114 LYS HA H 4.12 0.02 1 1176 114 114 LYS HB2 H 1.87 0.02 2 1177 114 114 LYS HB3 H 1.84 0.02 2 1178 114 114 LYS HG2 H 1.55 0.02 1 1179 114 114 LYS HD2 H 1.71 0.02 1 1180 114 114 LYS HE2 H 2.98 0.02 1 1181 114 114 LYS C C 179.0 0.3 1 1182 114 114 LYS CA C 58.1 0.3 1 1183 114 114 LYS CB C 32.2 0.3 1 1184 114 114 LYS CG C 25.4 0.3 1 1185 114 114 LYS CD C 28.6 0.3 1 1186 114 114 LYS CE C 41.8 0.3 1 1187 114 114 LYS N N 122.6 0.3 1 1188 115 115 LEU H H 8.35 0.02 1 1189 115 115 LEU HA H 4.03 0.02 1 1190 115 115 LEU HB2 H 2.03 0.02 2 1191 115 115 LEU HB3 H 1.30 0.02 2 1192 115 115 LEU HG H 1.39 0.02 1 1193 115 115 LEU HD1 H 0.74 0.02 1 1194 115 115 LEU C C 177.3 0.3 1 1195 115 115 LEU CA C 57.4 0.3 1 1196 115 115 LEU CB C 40.6 0.3 1 1197 115 115 LEU CG C 27.0 0.3 1 1198 115 115 LEU CD1 C 26.1 0.3 1 1199 115 115 LEU CD2 C 25.9 0.3 1 1200 115 115 LEU N N 122.9 0.3 1 1201 116 116 CYS H H 8.05 0.02 1 1202 116 116 CYS HA H 3.90 0.02 1 1203 116 116 CYS HB2 H 3.09 0.02 2 1204 116 116 CYS HB3 H 2.88 0.02 2 1205 116 116 CYS C C 177.2 0.3 1 1206 116 116 CYS CA C 63.7 0.3 1 1207 116 116 CYS CB C 25.5 0.3 1 1208 116 116 CYS N N 116.6 0.3 1 1209 117 117 SER H H 8.10 0.02 1 1210 117 117 SER HA H 4.17 0.02 1 1211 117 117 SER HB2 H 3.94 0.02 2 1212 117 117 SER HB3 H 3.90 0.02 2 1213 117 117 SER C C 175.5 0.3 1 1214 117 117 SER CA C 61.2 0.3 1 1215 117 117 SER CB C 62.0 0.3 1 1216 117 117 SER N N 114.1 0.3 1 1217 118 118 ALA H H 8.15 0.02 1 1218 118 118 ALA HA H 4.08 0.02 1 1219 118 118 ALA HB H 1.43 0.02 1 1220 118 118 ALA C C 180.6 0.3 1 1221 118 118 ALA CA C 54.4 0.3 1 1222 118 118 ALA CB C 16.8 0.3 1 1223 118 118 ALA N N 124.5 0.3 1 1224 119 119 LEU H H 7.80 0.02 1 1225 119 119 LEU HA H 3.89 0.02 1 1226 119 119 LEU HB2 H 1.84 0.02 2 1227 119 119 LEU HB3 H 1.39 0.02 2 1228 119 119 LEU HG H 1.51 0.02 1 1229 119 119 LEU HD1 H 0.57 0.02 1 1230 119 119 LEU HD2 H 0.73 0.02 1 1231 119 119 LEU C C 180.1 0.3 1 1232 119 119 LEU CA C 58.7 0.3 1 1233 119 119 LEU CB C 40.9 0.3 1 1234 119 119 LEU CG C 30.0 0.3 1 1235 119 119 LEU CD1 C 25.5 0.3 1 1236 119 119 LEU CD2 C 25.0 0.3 1 1237 119 119 LEU N N 120.1 0.3 1 1238 120 120 THR H H 8.16 0.02 1 1239 120 120 THR HA H 4.33 0.02 1 1240 120 120 THR HB H 4.28 0.02 1 1241 120 120 THR HG2 H 1.28 0.02 1 1242 120 120 THR C C 178.5 0.3 1 1243 120 120 THR CA C 66.0 0.3 1 1244 120 120 THR CB C 68.1 0.3 1 1245 120 120 THR CG2 C 21.2 0.3 1 1246 120 120 THR N N 119.5 0.3 1 1247 121 121 LEU H H 8.77 0.02 1 1248 121 121 LEU HA H 4.09 0.02 1 1249 121 121 LEU HB2 H 1.77 0.02 2 1250 121 121 LEU HB3 H 1.68 0.02 2 1251 121 121 LEU HG H 1.67 0.02 1 1252 121 121 LEU HD1 H 0.85 0.02 1 1253 121 121 LEU C C 178.5 0.3 1 1254 121 121 LEU CA C 57.4 0.3 1 1255 121 121 LEU CB C 40.7 0.3 1 1256 121 121 LEU CG C 26.7 0.3 1 1257 121 121 LEU CD1 C 23.6 0.3 1 1258 121 121 LEU N N 124.7 0.3 1 1259 122 122 SER H H 7.47 0.02 1 1260 122 122 SER HA H 4.27 0.02 1 1261 122 122 SER HB2 H 3.80 0.02 2 1262 122 122 SER HB3 H 3.70 0.02 2 1263 122 122 SER C C 173.0 0.3 1 1264 122 122 SER CA C 59.8 0.3 1 1265 122 122 SER CB C 63.6 0.3 1 1266 122 122 SER N N 113.5 0.3 1 1267 123 123 GLY H H 7.64 0.02 1 1268 123 123 GLY HA2 H 3.62 0.02 2 1269 123 123 GLY HA3 H 4.39 0.02 2 1270 123 123 GLY C C 174.0 0.3 1 1271 123 123 GLY CA C 43.7 0.3 1 1272 123 123 GLY N N 105.9 0.3 1 1273 124 124 LEU H H 7.07 0.02 1 1274 124 124 LEU HA H 4.75 0.02 1 1275 124 124 LEU HB2 H 1.10 0.02 2 1276 124 124 LEU HB3 H 1.25 0.02 2 1277 124 124 LEU HG H 0.54 0.02 1 1278 124 124 LEU HD1 H 0.44 0.02 1 1279 124 124 LEU HD2 H 0.44 0.02 1 1280 124 124 LEU C C 176.2 0.3 1 1281 124 124 LEU CA C 53.5 0.3 1 1282 124 124 LEU CB C 41.2 0.3 1 1283 124 124 LEU CG C 26.1 0.3 1 1284 124 124 LEU CD1 C 20.0 0.3 1 1285 124 124 LEU CD2 C 20.6 0.3 1 1286 124 124 LEU N N 117.5 0.3 1 1287 125 125 VAL H H 9.51 0.02 1 1288 125 125 VAL HA H 4.71 0.02 1 1289 125 125 VAL HB H 2.38 0.02 1 1290 125 125 VAL HG1 H 0.91 0.02 1 1291 125 125 VAL HG2 H 0.69 0.02 1 1292 125 125 VAL C C 174.0 0.3 1 1293 125 125 VAL CA C 58.6 0.3 1 1294 125 125 VAL CB C 34.4 0.3 1 1295 125 125 VAL CG1 C 21.2 0.3 1 1296 125 125 VAL CG2 C 17.3 0.3 1 1297 125 125 VAL N N 113.0 0.3 1 1298 126 126 GLU H H 8.76 0.02 1 1299 126 126 GLU HA H 3.63 0.02 1 1300 126 126 GLU HB2 H 2.08 0.02 2 1301 126 126 GLU HB3 H 1.90 0.02 2 1302 126 126 GLU HG2 H 2.13 0.02 1 1303 126 126 GLU C C 175.0 0.3 1 1304 126 126 GLU CA C 56.2 0.3 1 1305 126 126 GLU CB C 26.9 0.3 1 1306 126 126 GLU CG C 36.4 0.3 1 1307 126 126 GLU N N 116.1 0.3 1 1308 127 127 VAL H H 7.72 0.02 1 1309 127 127 VAL HA H 4.79 0.02 1 1310 127 127 VAL HB H 1.78 0.02 1 1311 127 127 VAL HG1 H 0.90 0.02 1 1312 127 127 VAL HG2 H 0.62 0.02 1 1313 127 127 VAL C C 177.6 0.3 1 1314 127 127 VAL CA C 61.9 0.3 1 1315 127 127 VAL CB C 30.8 0.3 1 1316 127 127 VAL CG1 C 21.4 0.3 1 1317 127 127 VAL CG2 C 22.4 0.3 1 1318 127 127 VAL N N 117.8 0.3 1 1319 128 128 LYS H H 8.73 0.02 1 1320 128 128 LYS HA H 4.65 0.02 1 1321 128 128 LYS HB2 H 1.72 0.02 2 1322 128 128 LYS HB3 H 1.55 0.02 2 1323 128 128 LYS HG2 H 1.29 0.02 2 1324 128 128 LYS HG3 H 1.17 0.02 2 1325 128 128 LYS HD2 H 1.55 0.02 1 1326 128 128 LYS HE2 H 2.87 0.02 1 1327 128 128 LYS C C 174.3 0.3 1 1328 128 128 LYS CA C 54.4 0.3 1 1329 128 128 LYS CB C 35.5 0.3 1 1330 128 128 LYS CG C 23.1 0.3 1 1331 128 128 LYS CD C 28.7 0.3 1 1332 128 128 LYS CE C 41.3 0.3 1 1333 128 128 LYS N N 126.9 0.3 1 1334 129 129 GLU H H 8.78 0.02 1 1335 129 129 GLU HA H 4.35 0.02 1 1336 129 129 GLU HB2 H 1.91 0.02 2 1337 129 129 GLU HB3 H 1.85 0.02 2 1338 129 129 GLU HG2 H 2.18 0.02 2 1339 129 129 GLU HG3 H 1.86 0.02 2 1340 129 129 GLU C C 176.1 0.3 1 1341 129 129 GLU CA C 56.9 0.3 1 1342 129 129 GLU CB C 30.5 0.3 1 1343 129 129 GLU CG C 36.6 0.3 1 1344 129 129 GLU N N 122.5 0.3 1 1345 130 130 LEU H H 9.34 0.02 1 1346 130 130 LEU HA H 4.49 0.02 1 1347 130 130 LEU HB2 H 1.55 0.02 2 1348 130 130 LEU HB3 H 1.55 0.02 2 1349 130 130 LEU HG H 1.62 0.02 1 1350 130 130 LEU HD1 H 0.89 0.02 1 1351 130 130 LEU HD2 H 1.05 0.02 1 1352 130 130 LEU C C 176.8 0.3 1 1353 130 130 LEU CA C 55.2 0.3 1 1354 130 130 LEU CB C 43.1 0.3 1 1355 130 130 LEU CG C 26.2 0.3 1 1356 130 130 LEU CD1 C 22.4 0.3 1 1357 130 130 LEU CD2 C 25.5 0.3 1 1358 130 130 LEU N N 124.9 0.3 1 1359 131 131 GLN H H 7.53 0.02 1 1360 131 131 GLN HA H 4.65 0.02 1 1361 131 131 GLN HB2 H 2.10 0.02 2 1362 131 131 GLN HB3 H 1.99 0.02 2 1363 131 131 GLN HG2 H 2.19 0.02 1 1364 131 131 GLN HE21 H 7.46 0.02 1 1365 131 131 GLN HE22 H 6.75 0.02 1 1366 131 131 GLN C C 173.2 0.3 1 1367 131 131 GLN CA C 54.9 0.3 1 1368 131 131 GLN CB C 31.6 0.3 1 1369 131 131 GLN CG C 32.8 0.3 1 1370 131 131 GLN N N 114.1 0.3 1 1371 131 131 GLN NE2 N 111.4 0.3 1 1372 132 132 ARG H H 8.47 0.02 1 1373 132 132 ARG HA H 5.54 0.02 1 1374 132 132 ARG HB2 H 1.78 0.02 2 1375 132 132 ARG HB3 H 1.74 0.02 2 1376 132 132 ARG HG2 H 1.66 0.02 2 1377 132 132 ARG HG3 H 1.56 0.02 2 1378 132 132 ARG HD2 H 3.03 0.02 1 1379 132 132 ARG C C 175.5 0.3 1 1380 132 132 ARG CA C 54.3 0.3 1 1381 132 132 ARG CB C 33.0 0.3 1 1382 132 132 ARG CG C 26.3 0.3 1 1383 132 132 ARG CD C 43.1 0.3 1 1384 132 132 ARG N N 120.8 0.3 1 1385 133 133 GLU H H 8.78 0.02 1 1386 133 133 GLU HA H 5.10 0.02 1 1387 133 133 GLU HB2 H 2.20 0.02 2 1388 133 133 GLU HB3 H 2.02 0.02 2 1389 133 133 GLU HG2 H 2.26 0.02 2 1390 133 133 GLU HG3 H 2.21 0.02 2 1391 133 133 GLU C C 172.4 0.3 1 1392 133 133 GLU CA C 53.1 0.3 1 1393 133 133 GLU CB C 33.1 0.3 1 1394 133 133 GLU CG C 35.6 0.3 1 1395 133 133 GLU N N 120.9 0.3 1 1396 134 134 PRO HA H 4.72 0.02 1 1397 134 134 PRO HB2 H 2.38 0.02 2 1398 134 134 PRO HB3 H 1.92 0.02 2 1399 134 134 PRO HG2 H 2.06 0.02 2 1400 134 134 PRO HG3 H 2.00 0.02 2 1401 134 134 PRO HD2 H 3.81 0.02 1 1402 134 134 PRO CA C 61.9 0.3 1 1403 134 134 PRO CB C 31.9 0.3 1 1404 134 134 PRO CG C 26.8 0.3 1 1405 134 134 PRO CD C 50.4 0.3 1 1406 135 135 LEU H H 8.54 0.02 1 1407 135 135 LEU HA H 4.61 0.02 1 1408 135 135 LEU HB2 H 1.94 0.02 2 1409 135 135 LEU HB3 H 1.24 0.02 2 1410 135 135 LEU HG H 1.01 0.02 1 1411 135 135 LEU HD1 H 0.25 0.02 1 1412 135 135 LEU HD2 H 0.36 0.02 1 1413 135 135 LEU C C 178.6 0.3 1 1414 135 135 LEU CA C 56.2 0.3 1 1415 135 135 LEU CB C 42.3 0.3 1 1416 135 135 LEU CG C 23.6 0.3 1 1417 135 135 LEU CD1 C 24.2 0.3 1 1418 135 135 LEU CD2 C 26.1 0.3 1 1419 135 135 LEU N N 123.6 0.3 1 1420 136 136 THR H H 9.69 0.02 1 1421 136 136 THR HA H 4.64 0.02 1 1422 136 136 THR HB H 4.78 0.02 1 1423 136 136 THR HG2 H 1.39 0.02 1 1424 136 136 THR C C 173.7 0.3 1 1425 136 136 THR CA C 59.8 0.3 1 1426 136 136 THR CB C 67.7 0.3 1 1427 136 136 THR CG2 C 21.2 0.3 1 1428 136 136 THR N N 115.6 0.3 1 1429 137 137 PRO HA H 4.24 0.02 1 1430 137 137 PRO HB2 H 2.41 0.02 2 1431 137 137 PRO HB3 H 1.88 0.02 2 1432 137 137 PRO HG2 H 2.25 0.02 2 1433 137 137 PRO HG3 H 2.05 0.02 2 1434 137 137 PRO HD2 H 3.93 0.02 1 1435 137 137 PRO CA C 65.5 0.3 1 1436 137 137 PRO CB C 31.2 0.3 1 1437 137 137 PRO CG C 27.8 0.3 1 1438 137 137 PRO CD C 49.8 0.3 1 1439 138 138 GLU H H 8.76 0.02 1 1440 138 138 GLU HA H 4.05 0.02 1 1441 138 138 GLU HB2 H 2.10 0.02 2 1442 138 138 GLU HB3 H 1.96 0.02 2 1443 138 138 GLU HG2 H 2.49 0.02 2 1444 138 138 GLU HG3 H 2.28 0.02 2 1445 138 138 GLU C C 179.5 0.3 1 1446 138 138 GLU CA C 59.9 0.3 1 1447 138 138 GLU CB C 28.6 0.3 1 1448 138 138 GLU CG C 36.8 0.3 1 1449 138 138 GLU N N 117.7 0.3 1 1450 139 139 GLU H H 7.90 0.02 1 1451 139 139 GLU HA H 4.17 0.02 1 1452 139 139 GLU HB2 H 2.58 0.02 2 1453 139 139 GLU HB3 H 1.76 0.02 2 1454 139 139 GLU HG2 H 2.44 0.02 2 1455 139 139 GLU HG3 H 2.31 0.02 2 1456 139 139 GLU C C 178.7 0.3 1 1457 139 139 GLU CA C 58.4 0.3 1 1458 139 139 GLU CB C 28.6 0.3 1 1459 139 139 GLU CG C 37.4 0.3 1 1460 139 139 GLU N N 122.6 0.3 1 1461 140 140 VAL H H 8.60 0.02 1 1462 140 140 VAL HA H 3.34 0.02 1 1463 140 140 VAL HB H 2.22 0.02 1 1464 140 140 VAL HG1 H 1.00 0.02 1 1465 140 140 VAL HG2 H 0.95 0.02 1 1466 140 140 VAL C C 179.0 0.3 1 1467 140 140 VAL CA C 67.2 0.3 1 1468 140 140 VAL CB C 31.1 0.3 1 1469 140 140 VAL CG1 C 23.6 0.3 1 1470 140 140 VAL CG2 C 21.1 0.3 1 1471 140 140 VAL N N 121.7 0.3 1 1472 141 141 GLN H H 7.84 0.02 1 1473 141 141 GLN HA H 4.03 0.02 1 1474 141 141 GLN HB2 H 2.19 0.02 2 1475 141 141 GLN HB3 H 2.20 0.02 2 1476 141 141 GLN HG2 H 2.43 0.02 1 1477 141 141 GLN HE21 H 7.71 0.02 1 1478 141 141 GLN HE22 H 6.88 0.02 1 1479 141 141 GLN C C 177.5 0.3 1 1480 141 141 GLN CA C 58.2 0.3 1 1481 141 141 GLN CB C 26.8 0.3 1 1482 141 141 GLN CG C 32.5 0.3 1 1483 141 141 GLN N N 119.4 0.3 1 1484 141 141 GLN NE2 N 112.4 0.3 1 1485 142 142 SER H H 8.06 0.02 1 1486 142 142 SER HA H 4.44 0.02 1 1487 142 142 SER HB2 H 4.16 0.02 2 1488 142 142 SER HB3 H 4.44 0.02 2 1489 142 142 SER C C 176.7 0.3 1 1490 142 142 SER CA C 61.2 0.3 1 1491 142 142 SER CB C 62.5 0.3 1 1492 142 142 SER N N 116.3 0.3 1 1493 143 143 VAL H H 8.51 0.02 1 1494 143 143 VAL HA H 3.55 0.02 1 1495 143 143 VAL HB H 2.33 0.02 1 1496 143 143 VAL HG1 H 0.97 0.02 1 1497 143 143 VAL HG2 H 1.05 0.02 1 1498 143 143 VAL C C 178.5 0.3 1 1499 143 143 VAL CA C 66.8 0.3 1 1500 143 143 VAL CB C 30.6 0.3 1 1501 143 143 VAL CG1 C 23.0 0.3 1 1502 143 143 VAL CG2 C 21.4 0.3 1 1503 143 143 VAL N N 121.5 0.3 1 1504 144 144 ARG H H 7.88 0.02 1 1505 144 144 ARG HA H 3.98 0.02 1 1506 144 144 ARG HB2 H 1.95 0.02 1 1507 144 144 ARG HG2 H 1.57 0.02 2 1508 144 144 ARG HG3 H 1.50 0.02 2 1509 144 144 ARG HD2 H 3.14 0.02 1 1510 144 144 ARG C C 178.7 0.3 1 1511 144 144 ARG CA C 59.6 0.3 1 1512 144 144 ARG CB C 29.4 0.3 1 1513 144 144 ARG CG C 27.3 0.3 1 1514 144 144 ARG CD C 43.0 0.3 1 1515 144 144 ARG N N 120.9 0.3 1 1516 145 145 GLU H H 8.50 0.02 1 1517 145 145 GLU HA H 3.89 0.02 1 1518 145 145 GLU HB2 H 1.91 0.02 2 1519 145 145 GLU HB3 H 1.62 0.02 2 1520 145 145 GLU HG2 H 2.01 0.02 2 1521 145 145 GLU HG3 H 1.77 0.02 2 1522 145 145 GLU C C 178.0 0.3 1 1523 145 145 GLU CA C 58.6 0.3 1 1524 145 145 GLU CB C 29.8 0.3 1 1525 145 145 GLU CG C 34.9 0.3 1 1526 145 145 GLU N N 118.2 0.3 1 1527 146 146 HIS H H 8.98 0.02 1 1528 146 146 HIS HA H 4.62 0.02 1 1529 146 146 HIS HB2 H 3.08 0.02 2 1530 146 146 HIS HB3 H 3.03 0.02 2 1531 146 146 HIS HD2 H 7.42 0.02 1 1532 146 146 HIS HE1 H 7.63 0.02 1 1533 146 146 HIS C C 176.9 0.3 1 1534 146 146 HIS CA C 57.8 0.3 1 1535 146 146 HIS CB C 30.6 0.3 1 1536 146 146 HIS N N 114.6 0.3 1 1537 146 146 HIS ND1 N 236.3 0.3 1 1538 146 146 HIS NE2 N 170.4 0.3 1 1539 147 147 LEU H H 7.89 0.02 1 1540 147 147 LEU HA H 4.72 0.02 1 1541 147 147 LEU HB2 H 2.33 0.02 2 1542 147 147 LEU HB3 H 1.45 0.02 2 1543 147 147 LEU HG H 1.68 0.02 1 1544 147 147 LEU HD1 H 0.92 0.02 1 1545 147 147 LEU HD2 H 0.83 0.02 1 1546 147 147 LEU C C 177.6 0.3 1 1547 147 147 LEU CA C 53.6 0.3 1 1548 147 147 LEU CB C 41.0 0.3 1 1549 147 147 LEU CG C 26.7 0.3 1 1550 147 147 LEU CD1 C 23.0 0.3 1 1551 147 147 LEU CD2 C 22.1 0.3 1 1552 147 147 LEU N N 115.0 0.3 1 1553 148 148 GLY H H 7.41 0.02 1 1554 148 148 GLY HA2 H 3.92 0.02 2 1555 148 148 GLY HA3 H 4.01 0.02 2 1556 148 148 GLY C C 173.4 0.3 1 1557 148 148 GLY CA C 46.2 0.3 1 1558 148 148 GLY N N 107.9 0.3 1 1559 149 149 HIS H H 6.91 0.02 1 1560 149 149 HIS HA H 4.84 0.02 1 1561 149 149 HIS HB2 H 2.62 0.02 2 1562 149 149 HIS HB3 H 2.48 0.02 2 1563 149 149 HIS HD2 H 6.48 0.02 1 1564 149 149 HIS HE1 H 6.50 0.02 1 1565 149 149 HIS C C 172.9 0.3 1 1566 149 149 HIS CA C 55.0 0.3 1 1567 149 149 HIS CB C 33.8 0.3 1 1568 149 149 HIS N N 118.1 0.3 1 1569 149 149 HIS ND1 N 238.5 0.3 1 1570 149 149 HIS NE2 N 172.3 0.3 1 1571 150 150 GLU H H 7.87 0.02 1 1572 150 150 GLU HA H 4.20 0.02 1 1573 150 150 GLU HB2 H 1.86 0.02 2 1574 150 150 GLU HB3 H 1.69 0.02 2 1575 150 150 GLU HG2 H 2.07 0.02 2 1576 150 150 GLU HG3 H 1.99 0.02 2 1577 150 150 GLU C C 174.6 0.3 1 1578 150 150 GLU CA C 54.8 0.3 1 1579 150 150 GLU CB C 30.6 0.3 1 1580 150 150 GLU CG C 35.5 0.3 1 1581 150 150 GLU N N 125.1 0.3 1 1582 151 151 SER H H 7.92 0.02 1 1583 151 151 SER HA H 4.38 0.02 1 1584 151 151 SER HB2 H 3.86 0.02 2 1585 151 151 SER HB3 H 3.35 0.02 2 1586 151 151 SER C C 173.7 0.3 1 1587 151 151 SER CA C 57.0 0.3 1 1588 151 151 SER CB C 63.9 0.3 1 1589 151 151 SER N N 115.9 0.3 1 1590 152 152 ASP H H 8.76 0.02 1 1591 152 152 ASP HA H 4.78 0.02 1 1592 152 152 ASP HB2 H 2.78 0.02 2 1593 152 152 ASP HB3 H 2.51 0.02 2 1594 152 152 ASP C C 176.2 0.3 1 1595 152 152 ASP CA C 54.3 0.3 1 1596 152 152 ASP CB C 41.0 0.3 1 1597 152 152 ASP N N 124.1 0.3 1 1598 153 153 ASN H H 8.78 0.02 1 1599 153 153 ASN HA H 4.94 0.02 1 1600 153 153 ASN HB2 H 2.96 0.02 2 1601 153 153 ASN HB3 H 2.79 0.02 2 1602 153 153 ASN HD21 H 7.74 0.02 1 1603 153 153 ASN HD22 H 6.96 0.02 1 1604 153 153 ASN C C 173.8 0.3 1 1605 153 153 ASN CA C 52.3 0.3 1 1606 153 153 ASN CB C 39.1 0.3 1 1607 153 153 ASN N N 119.3 0.3 1 1608 153 153 ASN ND2 N 114.4 0.3 1 1609 154 154 LEU H H 7.94 0.02 1 1610 154 154 LEU HA H 5.06 0.02 1 1611 154 154 LEU HB2 H 1.79 0.02 2 1612 154 154 LEU HB3 H 1.04 0.02 2 1613 154 154 LEU HG H 0.84 0.02 1 1614 154 154 LEU HD1 H 0.65 0.02 1 1615 154 154 LEU C C 176.9 0.3 1 1616 154 154 LEU CA C 53.8 0.3 1 1617 154 154 LEU CB C 44.5 0.3 1 1618 154 154 LEU CG C 26.8 0.3 1 1619 154 154 LEU CD1 C 23.7 0.3 1 1620 154 154 LEU CD2 C 23.7 0.3 1 1621 154 154 LEU N N 119.6 0.3 1 1622 155 155 LEU H H 8.78 0.02 1 1623 155 155 LEU HA H 4.43 0.02 1 1624 155 155 LEU HB2 H 1.32 0.02 2 1625 155 155 LEU HB3 H 1.30 0.02 2 1626 155 155 LEU HG H 1.49 0.02 1 1627 155 155 LEU HD1 H 0.72 0.02 1 1628 155 155 LEU HD2 H 0.79 0.02 1 1629 155 155 LEU C C 175.1 0.3 1 1630 155 155 LEU CA C 53.8 0.3 1 1631 155 155 LEU CB C 45.9 0.3 1 1632 155 155 LEU CG C 26.1 0.3 1 1633 155 155 LEU CD1 C 24.9 0.3 1 1634 155 155 LEU CD2 C 23.7 0.3 1 1635 155 155 LEU N N 120.8 0.3 1 1636 156 156 PHE H H 9.43 0.02 1 1637 156 156 PHE HA H 5.05 0.02 1 1638 156 156 PHE HB2 H 3.03 0.02 2 1639 156 156 PHE HB3 H 2.90 0.02 2 1640 156 156 PHE HD1 H 7.03 0.02 1 1641 156 156 PHE HE1 H 7.41 0.02 1 1642 156 156 PHE HZ H 7.45 0.02 1 1643 156 156 PHE C C 176.8 0.3 1 1644 156 156 PHE CA C 58.4 0.3 1 1645 156 156 PHE CB C 40.6 0.3 1 1646 156 156 PHE N N 120.3 0.3 1 1647 157 157 VAL H H 8.31 0.02 1 1648 157 157 VAL HA H 5.02 0.02 1 1649 157 157 VAL HB H 1.89 0.02 1 1650 157 157 VAL HG1 H 0.94 0.02 1 1651 157 157 VAL HG2 H 0.90 0.02 1 1652 157 157 VAL C C 173.3 0.3 1 1653 157 157 VAL CA C 59.8 0.3 1 1654 157 157 VAL CB C 34.2 0.3 1 1655 157 157 VAL CG1 C 21.7 0.3 1 1656 157 157 VAL CG2 C 21.7 0.3 1 1657 157 157 VAL N N 118.6 0.3 1 1658 158 158 GLN H H 8.38 0.02 1 1659 158 158 GLN HA H 5.54 0.02 1 1660 158 158 GLN HB2 H 2.07 0.02 2 1661 158 158 GLN HB3 H 1.91 0.02 2 1662 158 158 GLN HG2 H 2.33 0.02 2 1663 158 158 GLN HG3 H 1.97 0.02 2 1664 158 158 GLN HE21 H 6.36 0.02 1 1665 158 158 GLN HE22 H 6.68 0.02 1 1666 158 158 GLN C C 174.6 0.3 1 1667 158 158 GLN CA C 53.8 0.3 1 1668 158 158 GLN CB C 31.1 0.3 1 1669 158 158 GLN CG C 34.4 0.3 1 1670 158 158 GLN N N 123.9 0.3 1 1671 158 158 GLN NE2 N 107.0 0.3 1 1672 159 159 ILE H H 9.56 0.02 1 1673 159 159 ILE HA H 5.05 0.02 1 1674 159 159 ILE HB H 1.50 0.02 1 1675 159 159 ILE HG12 H 1.38 0.02 2 1676 159 159 ILE HG13 H 0.99 0.02 2 1677 159 159 ILE HG2 H 0.74 0.02 1 1678 159 159 ILE HD1 H 0.76 0.02 1 1679 159 159 ILE C C 171.9 0.3 1 1680 159 159 ILE CA C 58.4 0.3 1 1681 159 159 ILE CB C 42.4 0.3 1 1682 159 159 ILE CG1 C 27.1 0.3 1 1683 159 159 ILE CG2 C 14.3 0.3 1 1684 159 159 ILE CD1 C 18.0 0.3 1 1685 159 159 ILE N N 126.3 0.3 1 1686 160 160 THR H H 8.32 0.02 1 1687 160 160 THR HA H 5.51 0.02 1 1688 160 160 THR HB H 3.78 0.02 1 1689 160 160 THR HG2 H 1.10 0.02 1 1690 160 160 THR C C 170.9 0.3 1 1691 160 160 THR CA C 56.2 0.3 1 1692 160 160 THR CB C 70.4 0.3 1 1693 160 160 THR CG2 C 18.1 0.3 1 1694 160 160 THR N N 117.5 0.3 1 1695 161 161 GLY H H 7.60 0.02 1 1696 161 161 GLY HA2 H 3.35 0.02 2 1697 161 161 GLY HA3 H 4.24 0.02 2 1698 161 161 GLY C C 169.7 0.3 1 1699 161 161 GLY CA C 44.9 0.3 1 1700 161 161 GLY N N 107.6 0.3 1 1701 162 162 LYS H H 9.01 0.02 1 1702 162 162 LYS HA H 5.37 0.02 1 1703 162 162 LYS HB2 H 1.47 0.02 2 1704 162 162 LYS HB3 H 1.35 0.02 2 1705 162 162 LYS HG2 H 1.29 0.02 2 1706 162 162 LYS HG3 H 1.24 0.02 2 1707 162 162 LYS HD2 H 1.47 0.02 1 1708 162 162 LYS HE2 H 2.81 0.02 1 1709 162 162 LYS C C 175.2 0.3 1 1710 162 162 LYS CA C 53.3 0.3 1 1711 162 162 LYS CB C 36.1 0.3 1 1712 162 162 LYS CG C 24.1 0.3 1 1713 162 162 LYS CD C 29.1 0.3 1 1714 162 162 LYS CE C 41.4 0.3 1 1715 162 162 LYS N N 118.8 0.3 1 1716 163 163 LYS H H 8.40 0.02 1 1717 163 163 LYS HA H 4.66 0.02 1 1718 163 163 LYS HB2 H 2.17 0.02 2 1719 163 163 LYS HB3 H 1.34 0.02 2 1720 163 163 LYS HD3 H 1.80 0.02 1 1721 163 163 LYS C C 175.3 0.3 1 1722 163 163 LYS CA C 53.0 0.3 1 1723 163 163 LYS CB C 33.8 0.3 1 1724 163 163 LYS CD C 28.7 0.3 1 1725 163 163 LYS N N 126.0 0.3 1 1726 164 164 PRO HA H 4.14 0.02 1 1727 164 164 PRO HB2 H 2.12 0.02 2 1728 164 164 PRO HB3 H 1.66 0.02 2 1729 164 164 PRO HG2 H 2.02 0.02 1 1730 164 164 PRO HD2 H 4.13 0.02 2 1731 164 164 PRO HD3 H 3.79 0.02 2 1732 164 164 PRO CA C 63.0 0.3 1 1733 164 164 PRO CB C 31.8 0.3 1 1734 164 164 PRO CG C 26.9 0.3 1 1735 164 164 PRO CD C 51.1 0.3 1 1736 165 165 ASN H H 8.26 0.02 1 1737 165 165 ASN HA H 4.57 0.02 1 1738 165 165 ASN HB2 H 2.70 0.02 2 1739 165 165 ASN HB3 H 2.44 0.02 2 1740 165 165 ASN HD21 H 7.50 0.02 1 1741 165 165 ASN HD22 H 6.84 0.02 1 1742 165 165 ASN C C 174.4 0.3 1 1743 165 165 ASN CA C 51.9 0.3 1 1744 165 165 ASN CB C 38.8 0.3 1 1745 165 165 ASN N N 118.2 0.3 1 1746 165 165 ASN ND2 N 111.3 0.3 1 1747 166 166 PHE H H 8.10 0.02 1 1748 166 166 PHE HA H 4.61 0.02 1 1749 166 166 PHE HB2 H 3.18 0.02 2 1750 166 166 PHE HB3 H 2.94 0.02 2 1751 166 166 PHE HD1 H 7.21 0.02 1 1752 166 166 PHE HE1 H 6.37 0.02 1 1753 166 166 PHE HZ H 5.05 0.02 1 1754 166 166 PHE C C 175.1 0.3 1 1755 166 166 PHE CA C 56.9 0.3 1 1756 166 166 PHE CB C 39.1 0.3 1 1757 166 166 PHE N N 119.9 0.3 1 1758 167 167 GLU H H 8.36 0.02 1 1759 167 167 GLU HA H 4.27 0.02 1 1760 167 167 GLU HB2 H 1.98 0.02 2 1761 167 167 GLU HB3 H 1.88 0.02 2 1762 167 167 GLU HG2 H 2.18 0.02 1 1763 167 167 GLU C C 176.1 0.3 1 1764 167 167 GLU CA C 55.9 0.3 1 1765 167 167 GLU CB C 29.9 0.3 1 1766 167 167 GLU CG C 36.3 0.3 1 1767 167 167 GLU N N 122.3 0.3 1 1768 168 168 VAL H H 8.23 0.02 1 1769 168 168 VAL HA H 4.04 0.02 1 1770 168 168 VAL HB H 2.05 0.02 1 1771 168 168 VAL HG1 H 0.94 0.02 1 1772 168 168 VAL HG2 H 0.91 0.02 1 1773 168 168 VAL C C 176.6 0.3 1 1774 168 168 VAL CA C 62.6 0.3 1 1775 168 168 VAL CB C 32.5 0.3 1 1776 168 168 VAL CG1 C 21.2 0.3 1 1777 168 168 VAL CG2 C 20.0 0.3 1 1778 168 168 VAL N N 121.9 0.3 1 1779 169 169 GLY H H 8.53 0.02 1 1780 169 169 GLY HA2 H 3.98 0.02 1 1781 169 169 GLY C C 173.9 0.3 1 1782 169 169 GLY CA C 45.1 0.3 1 1783 169 169 GLY N N 112.5 0.3 1 1784 170 170 SER H H 8.16 0.02 1 1785 170 170 SER HA H 4.43 0.02 1 1786 170 170 SER HB2 H 3.84 0.02 1 1787 170 170 SER C C 174.2 0.3 1 1788 170 170 SER CA C 57.6 0.3 1 1789 170 170 SER CB C 63.7 0.3 1 1790 170 170 SER N N 115.4 0.3 1 1791 171 171 SER H H 8.37 0.02 1 1792 171 171 SER HA H 4.45 0.02 1 1793 171 171 SER HB2 H 3.85 0.02 1 1794 171 171 SER C C 173.2 0.3 1 1795 171 171 SER CA C 57.9 0.3 1 1796 171 171 SER CB C 63.8 0.3 1 1797 171 171 SER N N 118.1 0.3 1 1798 172 172 ARG H H 7.97 0.02 1 1799 172 172 ARG HA H 4.28 0.02 1 1800 172 172 ARG HB2 H 1.60 0.02 2 1801 172 172 ARG HB3 H 1.66 0.02 2 1802 172 172 ARG HG2 H 1.52 0.02 1 1803 172 172 ARG HD2 H 3.13 0.02 1 1804 172 172 ARG C C 180.7 0.3 1 1805 172 172 ARG CA C 57.3 0.3 1 1806 172 172 ARG CB C 31.1 0.3 1 1807 172 172 ARG CG C 27.0 0.3 1 1808 172 172 ARG CD C 43.0 0.3 1 1809 172 172 ARG N N 127.6 0.3 1 stop_ save_