data_18045 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C, and 15N chemical shift assignments for human endothelial monocyte-activating polypeptide II ; _BMRB_accession_number 18045 _BMRB_flat_file_name bmr18045.str _Entry_type original _Submission_date 2011-11-07 _Accession_date 2011-11-07 _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 Lozhko Dmytro . . 2 Stanek Jan . . 3 Kazimierczuk Krzysztof . . 4 Zawadzka-Kazimierczuk Anna . . 5 Kozminski Wiktor . . 6 Zhukov Igor . . 7 Kornelyuk Olexander . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 900 "13C chemical shifts" 518 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-03-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N chemical shifts assignments for human endothelial monocyte-activating polypeptide EMAP II.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22392337 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lozhko Dmytro . . 2 Stanek Jan . . 3 Kazimierczuk Krzysztof . . 4 Zawadzka-Kazimierczuk Anna . . 5 Kozminski Wiktor . . 6 Zhukov Igor . . 7 Kornelyuk Alexander . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25 _Page_last 29 _Year 2013 _Details . loop_ _Keyword cytokines 'EMAP II' 'NMR spectroscopy' 'random sampling' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EMAP2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'emap II' $emap_II stop_ _System_molecular_weight 18500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_emap_II _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common emap_II _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 169 _Mol_residue_sequence ; AMDSKPIDVSRLDLRIGCII TARKHPDADSLYVEEVDVGE IAPRTVVSGLVNHVPLEQMQ NRMVILLCNLKPAKMRGVLS QAMVMCASSPEKIEILAPPN GSVPGDRITFDAFPGEPDKE LNPKKKIWEQIQPDLHTNDE CVATYKGVPFEVKGKGVCRA QTMSNSGIK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 MET 3 ASP 4 SER 5 LYS 6 PRO 7 ILE 8 ASP 9 VAL 10 SER 11 ARG 12 LEU 13 ASP 14 LEU 15 ARG 16 ILE 17 GLY 18 CYS 19 ILE 20 ILE 21 THR 22 ALA 23 ARG 24 LYS 25 HIS 26 PRO 27 ASP 28 ALA 29 ASP 30 SER 31 LEU 32 TYR 33 VAL 34 GLU 35 GLU 36 VAL 37 ASP 38 VAL 39 GLY 40 GLU 41 ILE 42 ALA 43 PRO 44 ARG 45 THR 46 VAL 47 VAL 48 SER 49 GLY 50 LEU 51 VAL 52 ASN 53 HIS 54 VAL 55 PRO 56 LEU 57 GLU 58 GLN 59 MET 60 GLN 61 ASN 62 ARG 63 MET 64 VAL 65 ILE 66 LEU 67 LEU 68 CYS 69 ASN 70 LEU 71 LYS 72 PRO 73 ALA 74 LYS 75 MET 76 ARG 77 GLY 78 VAL 79 LEU 80 SER 81 GLN 82 ALA 83 MET 84 VAL 85 MET 86 CYS 87 ALA 88 SER 89 SER 90 PRO 91 GLU 92 LYS 93 ILE 94 GLU 95 ILE 96 LEU 97 ALA 98 PRO 99 PRO 100 ASN 101 GLY 102 SER 103 VAL 104 PRO 105 GLY 106 ASP 107 ARG 108 ILE 109 THR 110 PHE 111 ASP 112 ALA 113 PHE 114 PRO 115 GLY 116 GLU 117 PRO 118 ASP 119 LYS 120 GLU 121 LEU 122 ASN 123 PRO 124 LYS 125 LYS 126 LYS 127 ILE 128 TRP 129 GLU 130 GLN 131 ILE 132 GLN 133 PRO 134 ASP 135 LEU 136 HIS 137 THR 138 ASN 139 ASP 140 GLU 141 CYS 142 VAL 143 ALA 144 THR 145 TYR 146 LYS 147 GLY 148 VAL 149 PRO 150 PHE 151 GLU 152 VAL 153 LYS 154 GLY 155 LYS 156 GLY 157 VAL 158 CYS 159 ARG 160 ALA 161 GLN 162 THR 163 MET 164 SER 165 ASN 166 SER 167 GLY 168 ILE 169 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 1E7Z "Crystal Structure Of The Emap2RNA BINDING DOMAIN OF THE P43 Protein From Human Aminoacyl-Trna Synthetase Complex" 98.22 174 99.40 100.00 3.43e-117 PDB 1EUJ "A Novel Anti-Tumor Cytokine Contains A Rna-Binding Motif Present In Aminoacyl-Trna Synthetases" 98.22 166 100.00 100.00 1.23e-117 PDB 1FL0 "Crystal Structure Of The Emap2RNA-Binding Domain Of The P43 Protein From Human Aminoacyl-Trna Synthetase Complex" 96.45 171 100.00 100.00 2.04e-115 PDB 4R3Z "Crystal Structure Of Human Argrs-glnrs-aimp1 Complex" 100.00 312 98.82 99.41 2.82e-120 DBJ BAE90551 "unnamed protein product [Macaca fascicularis]" 100.00 321 97.04 99.41 8.43e-119 DBJ BAG53174 "unnamed protein product [Homo sapiens]" 100.00 312 98.82 99.41 2.82e-120 DBJ BAG60265 "unnamed protein product [Homo sapiens]" 76.33 269 100.00 100.00 3.01e-90 DBJ BAG64889 "unnamed protein product [Homo sapiens]" 100.00 336 98.82 99.41 1.89e-119 EMBL CAA69993 "human EMAPII [synthetic construct]" 98.22 166 100.00 100.00 1.23e-117 EMBL CAG47076 "SCYE1 [Homo sapiens]" 100.00 312 98.82 99.41 2.82e-120 EMBL CAH92571 "hypothetical protein [Pongo abelii]" 100.00 312 98.82 99.41 4.87e-120 GB AAA62202 "endothelial-monocyte activating polypeptide II [Homo sapiens]" 100.00 312 98.82 99.41 2.29e-120 GB AAH14051 "Small inducible cytokine subfamily E, member 1 (endothelial monocyte-activating) [Homo sapiens]" 100.00 312 98.82 99.41 2.82e-120 GB AAX36997 "small inducible cytokine subfamily E member 1 [synthetic construct]" 100.00 313 98.82 99.41 3.67e-120 GB ABM84225 "small inducible cytokine subfamily E, member 1 (endothelial monocyte-activating) [synthetic construct]" 100.00 312 98.82 99.41 2.82e-120 GB ABM87736 "small inducible cytokine subfamily E, member 1 (endothelial monocyte-activating) [synthetic construct]" 100.00 312 98.82 99.41 2.82e-120 REF NP_001126507 "aminoacyl tRNA synthase complex-interacting multifunctional protein 1 [Pongo abelii]" 100.00 312 98.82 99.41 4.87e-120 REF NP_001135887 "aminoacyl tRNA synthase complex-interacting multifunctional protein 1 isoform a precursor [Homo sapiens]" 100.00 312 98.82 99.41 2.82e-120 REF NP_001135888 "aminoacyl tRNA synthase complex-interacting multifunctional protein 1 isoform b precursor [Homo sapiens]" 100.00 336 98.82 99.41 1.85e-119 REF NP_004748 "aminoacyl tRNA synthase complex-interacting multifunctional protein 1 isoform a precursor [Homo sapiens]" 100.00 312 98.82 99.41 2.82e-120 REF XP_001083775 "PREDICTED: aminoacyl tRNA synthase complex-interacting multifunctional protein 1 [Macaca mulatta]" 75.15 271 97.64 100.00 8.15e-88 SP Q12904 "RecName: Full=Aminoacyl tRNA synthase complex-interacting multifunctional protein 1; AltName: Full=Multisynthase complex auxili" 100.00 312 98.82 99.41 2.82e-120 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $emap_II 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 $emap_II 'recombinant technology' . Escherichia coli . pET-30a 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 _Isotopic_labeling $emap_II 0.7 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 250 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Reconstruction_4D _Saveframe_category software _Name Reconstruction_4D _Version . loop_ _Vendor _Address _Electronic_address 'Stanek J., Kozminski W.' . . stop_ loop_ _Task processing stop_ _Details 'home written software' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 700 _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_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_4D_HNCOCA_random_sampling_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNCOCA random sampling' _Sample_label $sample_1 save_ save_4D_HNCACO_random_sampling_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNCACO random sampling' _Sample_label $sample_1 save_ save_4D_HCCH-TOCSY_random_sampling_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCH-TOCSY random sampling' _Sample_label $sample_1 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' 0.25 . M pH 8.0 0.3 pH pressure 1 . atm temperature 293 0.2 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 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'emap II' _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 6 6 PRO HA H 4.42 0.02 1 2 6 6 PRO HB2 H 2.29 0.02 2 3 6 6 PRO HB3 H 1.89 0.02 2 4 6 6 PRO HG2 H 2.04 0.02 2 5 6 6 PRO HG3 H 2.04 0.02 2 6 6 6 PRO HD2 H 3.72 0.02 2 7 6 6 PRO HD3 H 3.72 0.02 2 8 6 6 PRO CA C 62.64 0.20 1 9 6 6 PRO CB C 32.40 0.20 1 10 6 6 PRO CG C 27.37 0.20 1 11 6 6 PRO CD C 50.66 0.20 1 12 7 7 ILE H H 8.88 0.02 1 13 7 7 ILE HA H 3.94 0.02 1 14 7 7 ILE HB H 1.94 0.02 1 15 7 7 ILE HG12 H 1.08 0.02 2 16 7 7 ILE HG13 H 1.60 0.02 2 17 7 7 ILE HG2 H 0.76 0.02 1 18 7 7 ILE HD1 H 0.86 0.02 1 19 7 7 ILE CA C 60.69 0.20 1 20 7 7 ILE CB C 35.93 0.20 1 21 7 7 ILE CG1 C 27.37 0.20 1 22 7 7 ILE CG2 C 18.30 0.20 1 23 7 7 ILE CD1 C 12.71 0.20 1 24 7 7 ILE N N 123.04 0.20 1 25 8 8 ASP H H 6.96 0.02 1 26 8 8 ASP HA H 4.54 0.02 1 27 8 8 ASP HB2 H 2.80 0.02 2 28 8 8 ASP HB3 H 2.33 0.02 2 29 8 8 ASP CA C 52.30 0.20 1 30 8 8 ASP CB C 42.81 0.20 1 31 8 8 ASP N N 120.17 0.20 1 32 9 9 VAL HA H 3.12 0.02 1 33 9 9 VAL HB H -0.82 0.02 1 34 9 9 VAL HG1 H 0.10 0.02 1 35 9 9 VAL HG2 H -0.68 0.02 1 36 9 9 VAL CA C 62.74 0.20 1 37 9 9 VAL CB C 31.36 0.20 1 38 9 9 VAL CG1 C 22.16 0.20 1 39 9 9 VAL CG2 C 18.91 0.20 1 40 10 10 SER H H 8.92 0.02 1 41 10 10 SER HA H 4.10 0.02 1 42 10 10 SER HB2 H 3.92 0.02 2 43 10 10 SER HB3 H 3.45 0.02 2 44 10 10 SER CA C 61.35 0.20 1 45 10 10 SER CB C 62.63 0.20 1 46 10 10 SER N N 121.63 0.20 1 47 11 11 ARG H H 7.37 0.02 1 48 11 11 ARG HA H 4.07 0.02 1 49 11 11 ARG HB2 H 1.98 0.02 2 50 11 11 ARG HB3 H 1.53 0.02 2 51 11 11 ARG HG2 H 1.73 0.02 2 52 11 11 ARG HG3 H 1.73 0.02 2 53 11 11 ARG HD2 H 3.52 0.02 2 54 11 11 ARG HD3 H 3.29 0.02 2 55 11 11 ARG CA C 56.12 0.20 1 56 11 11 ARG CB C 30.05 0.20 1 57 11 11 ARG CD C 40.41 0.20 1 58 11 11 ARG N N 115.77 0.20 1 59 12 12 LEU H H 7.77 0.02 1 60 12 12 LEU HA H 4.11 0.02 1 61 12 12 LEU HB2 H 2.06 0.02 2 62 12 12 LEU HB3 H 1.25 0.02 2 63 12 12 LEU HG H 1.77 0.02 1 64 12 12 LEU HD1 H 1.09 0.02 1 65 12 12 LEU HD2 H 0.94 0.02 1 66 12 12 LEU CA C 54.49 0.20 1 67 12 12 LEU CB C 40.83 0.20 1 68 12 12 LEU CG C 26.66 0.20 1 69 12 12 LEU CD1 C 26.43 0.20 1 70 12 12 LEU CD2 C 22.32 0.20 1 71 12 12 LEU N N 114.71 0.20 1 72 13 13 ASP H H 7.81 0.02 1 73 13 13 ASP HA H 4.71 0.02 1 74 13 13 ASP HB2 H 2.78 0.02 2 75 13 13 ASP HB3 H 2.22 0.02 2 76 13 13 ASP CA C 51.48 0.20 1 77 13 13 ASP CB C 40.59 0.20 1 78 13 13 ASP N N 119.38 0.20 1 79 14 14 LEU H H 8.59 0.02 1 80 14 14 LEU HA H 5.49 0.02 1 81 14 14 LEU HB2 H 2.09 0.02 2 82 14 14 LEU HB3 H 0.84 0.02 2 83 14 14 LEU HG H 1.45 0.02 1 84 14 14 LEU HD1 H 0.61 0.02 1 85 14 14 LEU HD2 H 0.82 0.02 1 86 14 14 LEU CA C 53.17 0.20 1 87 14 14 LEU CB C 43.71 0.20 1 88 14 14 LEU CG C 26.14 0.20 1 89 14 14 LEU CD1 C 25.98 0.20 1 90 14 14 LEU CD2 C 24.72 0.20 1 91 14 14 LEU N N 126.35 0.20 1 92 15 15 ARG H H 8.90 0.02 1 93 15 15 ARG HA H 5.38 0.02 1 94 15 15 ARG HB2 H 1.55 0.02 2 95 15 15 ARG HB3 H 1.55 0.02 2 96 15 15 ARG HG2 H 1.62 0.02 2 97 15 15 ARG HG3 H 1.62 0.02 2 98 15 15 ARG HD2 H 3.23 0.02 2 99 15 15 ARG HD3 H 2.91 0.02 2 100 15 15 ARG CA C 53.35 0.20 1 101 15 15 ARG CB C 36.79 0.20 1 102 15 15 ARG CG C 27.15 0.20 1 103 15 15 ARG CD C 44.25 0.20 1 104 15 15 ARG N N 120.96 0.20 1 105 16 16 ILE H H 8.89 0.02 1 106 16 16 ILE HA H 4.75 0.02 1 107 16 16 ILE HB H 2.10 0.02 1 108 16 16 ILE HG12 H 1.53 0.02 2 109 16 16 ILE HG13 H 1.26 0.02 2 110 16 16 ILE HG2 H 0.73 0.02 1 111 16 16 ILE HD1 H 0.70 0.02 1 112 16 16 ILE CA C 58.09 0.20 1 113 16 16 ILE CB C 35.25 0.20 1 114 16 16 ILE CG1 C 29.48 0.20 1 115 16 16 ILE CG2 C 19.93 0.20 1 116 16 16 ILE CD1 C 12.83 0.20 1 117 16 16 ILE N N 121.16 0.20 1 118 17 17 GLY H H 8.92 0.02 1 119 17 17 GLY HA2 H 3.11 0.02 2 120 17 17 GLY HA3 H 5.22 0.02 2 121 17 17 GLY CA C 44.45 0.20 1 122 17 17 GLY N N 113.22 0.20 1 123 18 18 CYS H H 8.77 0.02 1 124 18 18 CYS HA H 5.18 0.02 1 125 18 18 CYS HB2 H 2.76 0.02 2 126 18 18 CYS HB3 H 2.76 0.02 2 127 18 18 CYS HG H 2.13 0.02 1 128 18 18 CYS CA C 57.03 0.20 1 129 18 18 CYS CB C 30.69 0.20 1 130 18 18 CYS N N 119.30 0.20 1 131 19 19 ILE H H 9.30 0.02 1 132 19 19 ILE HA H 3.99 0.02 1 133 19 19 ILE HB H 2.31 0.02 1 134 19 19 ILE HG12 H 1.88 0.02 2 135 19 19 ILE HG13 H 0.91 0.02 2 136 19 19 ILE HG2 H 0.79 0.02 1 137 19 19 ILE HD1 H 0.83 0.02 1 138 19 19 ILE CA C 63.23 0.20 1 139 19 19 ILE CB C 37.19 0.20 1 140 19 19 ILE CG1 C 27.87 0.20 1 141 19 19 ILE CG2 C 18.69 0.20 1 142 19 19 ILE CD1 C 13.74 0.20 1 143 19 19 ILE N N 130.57 0.20 1 144 20 20 ILE H H 9.07 0.02 1 145 20 20 ILE HA H 4.14 0.02 1 146 20 20 ILE HB H 1.89 0.02 1 147 20 20 ILE HG12 H 1.69 0.02 2 148 20 20 ILE HG13 H 1.28 0.02 2 149 20 20 ILE HG2 H 1.03 0.02 1 150 20 20 ILE HD1 H 0.87 0.02 1 151 20 20 ILE CA C 62.99 0.20 1 152 20 20 ILE CB C 38.68 0.20 1 153 20 20 ILE CG1 C 27.02 0.20 1 154 20 20 ILE CG2 C 17.96 0.20 1 155 20 20 ILE CD1 C 12.96 0.20 1 156 20 20 ILE N N 130.26 0.20 1 157 21 21 THR H H 7.43 0.02 1 158 21 21 THR HA H 4.72 0.02 1 159 21 21 THR HB H 4.10 0.02 1 160 21 21 THR HG2 H 1.19 0.02 1 161 21 21 THR CA C 60.08 0.20 1 162 21 21 THR CB C 71.56 0.20 1 163 21 21 THR CG2 C 21.35 0.20 1 164 21 21 THR N N 109.68 0.20 1 165 22 22 ALA H H 8.39 0.02 1 166 22 22 ALA HA H 5.25 0.02 1 167 22 22 ALA HB H 0.95 0.02 1 168 22 22 ALA CA C 50.80 0.20 1 169 22 22 ALA CB C 22.80 0.20 1 170 22 22 ALA N N 124.08 0.20 1 171 23 23 ARG H H 8.93 0.02 1 172 23 23 ARG HA H 4.80 0.02 1 173 23 23 ARG HB2 H 1.89 0.02 2 174 23 23 ARG HB3 H 1.89 0.02 2 175 23 23 ARG HG2 H 1.66 0.02 2 176 23 23 ARG HG3 H 1.46 0.02 2 177 23 23 ARG HD2 H 3.19 0.02 2 178 23 23 ARG HD3 H 3.19 0.02 2 179 23 23 ARG CA C 53.72 0.20 1 180 23 23 ARG CB C 33.78 0.20 1 181 23 23 ARG CG C 26.19 0.20 1 182 23 23 ARG CD C 43.34 0.20 1 183 23 23 ARG N N 118.99 0.20 1 184 24 24 LYS H H 9.08 0.02 1 185 24 24 LYS HA H 4.58 0.02 1 186 24 24 LYS HB2 H 2.06 0.02 2 187 24 24 LYS HB3 H 1.83 0.02 2 188 24 24 LYS HG2 H 1.74 0.02 2 189 24 24 LYS HG3 H 1.74 0.02 2 190 24 24 LYS HD2 H 1.89 0.02 2 191 24 24 LYS HD3 H 1.89 0.02 2 192 24 24 LYS HE2 H 3.15 0.02 2 193 24 24 LYS HE3 H 3.15 0.02 2 194 24 24 LYS CA C 57.87 0.20 1 195 24 24 LYS CB C 31.94 0.20 1 196 24 24 LYS CG C 25.42 0.20 1 197 24 24 LYS CD C 28.78 0.20 1 198 24 24 LYS CE C 41.53 0.20 1 199 24 24 LYS N N 121.16 0.20 1 200 25 25 HIS H H 8.61 0.02 1 201 25 25 HIS HA H 4.42 0.02 1 202 25 25 HIS HB2 H 3.74 0.02 2 203 25 25 HIS HB3 H 2.57 0.02 2 204 25 25 HIS CA C 54.70 0.20 1 205 25 25 HIS CB C 33.03 0.20 1 206 25 25 HIS N N 127.47 0.20 1 207 26 26 PRO HA H 4.38 0.02 1 208 26 26 PRO HB2 H 2.32 0.02 2 209 26 26 PRO HB3 H 2.00 0.02 2 210 26 26 PRO HG2 H 1.93 0.02 2 211 26 26 PRO HG3 H 1.93 0.02 2 212 26 26 PRO HD2 H 3.63 0.02 2 213 26 26 PRO HD3 H 2.98 0.02 2 214 26 26 PRO CA C 64.70 0.20 1 215 26 26 PRO CB C 32.26 0.20 1 216 26 26 PRO CG C 27.03 0.20 1 217 26 26 PRO CD C 50.53 0.20 1 218 27 27 ASP H H 10.37 0.02 1 219 27 27 ASP HA H 5.15 0.02 1 220 27 27 ASP HB2 H 2.91 0.02 2 221 27 27 ASP HB3 H 2.47 0.02 2 222 27 27 ASP CA C 53.47 0.20 1 223 27 27 ASP CB C 44.14 0.20 1 224 27 27 ASP N N 119.05 0.20 1 225 28 28 ALA H H 7.54 0.02 1 226 28 28 ALA HA H 4.53 0.02 1 227 28 28 ALA HB H 0.78 0.02 1 228 28 28 ALA CA C 51.95 0.20 1 229 28 28 ALA CB C 20.35 0.20 1 230 28 28 ALA N N 122.84 0.20 1 231 29 29 ASP HA H 4.60 0.02 1 232 29 29 ASP HB2 H 2.68 0.02 2 233 29 29 ASP HB3 H 2.68 0.02 2 234 29 29 ASP CA C 54.70 0.20 1 235 29 29 ASP CB C 41.16 0.20 1 236 30 30 SER H H 8.08 0.02 1 237 30 30 SER HA H 4.34 0.02 1 238 30 30 SER HB2 H 3.76 0.02 2 239 30 30 SER HB3 H 3.98 0.02 2 240 30 30 SER CA C 58.02 0.20 1 241 30 30 SER CB C 63.63 0.20 1 242 30 30 SER N N 115.58 0.20 1 243 31 31 LEU H H 7.28 0.02 1 244 31 31 LEU HA H 5.03 0.02 1 245 31 31 LEU HB2 H 1.56 0.02 2 246 31 31 LEU HB3 H 1.30 0.02 2 247 31 31 LEU HG H 1.45 0.02 1 248 31 31 LEU HD1 H 0.69 0.02 1 249 31 31 LEU HD2 H 0.45 0.02 1 250 31 31 LEU CA C 53.54 0.20 1 251 31 31 LEU CB C 44.67 0.20 1 252 31 31 LEU CG C 26.10 0.20 1 253 31 31 LEU CD1 C 22.35 0.20 1 254 31 31 LEU CD2 C 24.93 0.20 1 255 31 31 LEU N N 119.94 0.20 1 256 32 32 TYR H H 8.79 0.02 1 257 32 32 TYR HA H 5.61 0.02 1 258 32 32 TYR HB2 H 3.16 0.02 2 259 32 32 TYR HB3 H 3.16 0.02 2 260 32 32 TYR CA C 54.78 0.20 1 261 32 32 TYR CB C 41.70 0.20 1 262 32 32 TYR N N 119.77 0.20 1 263 33 33 VAL H H 9.29 0.02 1 264 33 33 VAL HA H 4.75 0.02 1 265 33 33 VAL HB H 1.81 0.02 1 266 33 33 VAL HG1 H 0.79 0.02 1 267 33 33 VAL HG2 H 0.92 0.02 1 268 33 33 VAL CA C 61.91 0.20 1 269 33 33 VAL CB C 33.99 0.20 1 270 33 33 VAL CG1 C 22.08 0.20 1 271 33 33 VAL CG2 C 21.80 0.20 1 272 33 33 VAL N N 118.08 0.20 1 273 34 34 GLU H H 9.97 0.02 1 274 34 34 GLU HA H 5.33 0.02 1 275 34 34 GLU HB2 H 2.07 0.02 2 276 34 34 GLU HB3 H 2.07 0.02 2 277 34 34 GLU HG2 H 2.36 0.02 2 278 34 34 GLU HG3 H 1.89 0.02 2 279 34 34 GLU CA C 54.57 0.20 1 280 34 34 GLU CB C 30.45 0.20 1 281 34 34 GLU CG C 32.98 0.20 1 282 34 34 GLU N N 125.84 0.20 1 283 35 35 GLU H H 8.33 0.02 1 284 35 35 GLU HA H 5.11 0.02 1 285 35 35 GLU HB2 H 1.82 0.02 2 286 35 35 GLU HB3 H 2.01 0.02 2 287 35 35 GLU HG2 H 2.12 0.02 2 288 35 35 GLU HG3 H 2.12 0.02 2 289 35 35 GLU CA C 55.29 0.20 1 290 35 35 GLU CB C 31.09 0.20 1 291 35 35 GLU CG C 36.44 0.20 1 292 35 35 GLU N N 121.44 0.20 1 293 36 36 VAL H H 9.58 0.02 1 294 36 36 VAL HA H 4.85 0.02 1 295 36 36 VAL HB H 1.80 0.02 1 296 36 36 VAL HG1 H 0.74 0.02 1 297 36 36 VAL HG2 H 0.60 0.02 1 298 36 36 VAL CA C 60.70 0.20 1 299 36 36 VAL CB C 34.61 0.20 1 300 36 36 VAL CG1 C 22.47 0.20 1 301 36 36 VAL CG2 C 22.26 0.20 1 302 36 36 VAL N N 123.07 0.20 1 303 37 37 ASP H H 9.10 0.02 1 304 37 37 ASP HA H 4.81 0.02 1 305 37 37 ASP HB2 H 2.89 0.02 2 306 37 37 ASP HB3 H 2.71 0.02 2 307 37 37 ASP CA C 53.12 0.20 1 308 37 37 ASP CB C 41.64 0.20 1 309 37 37 ASP N N 126.92 0.20 1 310 38 38 VAL H H 9.26 0.02 1 311 38 38 VAL HA H 4.74 0.02 1 312 38 38 VAL HB H 2.11 0.02 1 313 38 38 VAL HG1 H 0.85 0.02 1 314 38 38 VAL HG2 H 0.83 0.02 1 315 38 38 VAL CA C 59.02 0.20 1 316 38 38 VAL CB C 33.12 0.20 1 317 38 38 VAL CG1 C 22.39 0.20 1 318 38 38 VAL CG2 C 21.78 0.20 1 319 38 38 VAL N N 124.22 0.20 1 320 39 39 GLY H H 9.02 0.02 1 321 39 39 GLY HA2 H 3.79 0.02 2 322 39 39 GLY HA3 H 3.79 0.02 2 323 39 39 GLY CA C 45.51 0.20 1 324 39 39 GLY N N 110.76 0.20 1 325 40 40 GLU H H 7.75 0.02 1 326 40 40 GLU HA H 4.58 0.02 1 327 40 40 GLU HB2 H 2.06 0.02 2 328 40 40 GLU HB3 H 2.38 0.02 2 329 40 40 GLU HG2 H 2.36 0.02 2 330 40 40 GLU HG3 H 2.16 0.02 2 331 40 40 GLU CA C 54.37 0.20 1 332 40 40 GLU CB C 31.31 0.20 1 333 40 40 GLU CG C 37.28 0.20 1 334 40 40 GLU N N 118.42 0.20 1 335 41 41 ILE H H 8.31 0.02 1 336 41 41 ILE HA H 3.90 0.02 1 337 41 41 ILE HB H 1.95 0.02 1 338 41 41 ILE HG12 H 1.54 0.02 2 339 41 41 ILE HG13 H 1.31 0.02 2 340 41 41 ILE HG2 H 0.98 0.02 1 341 41 41 ILE HD1 H 0.92 0.02 1 342 41 41 ILE CA C 63.69 0.20 1 343 41 41 ILE CB C 37.91 0.20 1 344 41 41 ILE CG1 C 28.04 0.20 1 345 41 41 ILE CG2 C 17.58 0.20 1 346 41 41 ILE CD1 C 13.22 0.20 1 347 41 41 ILE N N 118.75 0.20 1 348 42 42 ALA H H 7.64 0.02 1 349 42 42 ALA HA H 4.92 0.02 1 350 42 42 ALA HB H 1.36 0.02 1 351 42 42 ALA CA C 48.87 0.20 1 352 42 42 ALA CB C 20.33 0.20 1 353 42 42 ALA N N 121.81 0.20 1 354 43 43 PRO HA H 4.83 0.02 1 355 43 43 PRO HB2 H 1.98 0.02 2 356 43 43 PRO HB3 H 1.75 0.02 2 357 43 43 PRO HG2 H 1.99 0.02 2 358 43 43 PRO HG3 H 1.99 0.02 2 359 43 43 PRO HD2 H 3.74 0.02 2 360 43 43 PRO HD3 H 3.74 0.02 2 361 43 43 PRO CA C 62.72 0.20 1 362 43 43 PRO CB C 32.24 0.20 1 363 43 43 PRO CG C 26.92 0.20 1 364 43 43 PRO CD C 50.68 0.20 1 365 44 44 ARG H H 8.97 0.02 1 366 44 44 ARG HA H 4.71 0.02 1 367 44 44 ARG HB2 H 1.44 0.02 2 368 44 44 ARG HB3 H 1.44 0.02 2 369 44 44 ARG HG2 H 1.73 0.02 2 370 44 44 ARG HG3 H 1.73 0.02 2 371 44 44 ARG HD2 H 3.08 0.02 2 372 44 44 ARG HD3 H 2.60 0.02 2 373 44 44 ARG CA C 55.02 0.20 1 374 44 44 ARG CB C 33.06 0.20 1 375 44 44 ARG CG C 27.80 0.20 1 376 44 44 ARG CD C 44.17 0.20 1 377 44 44 ARG N N 118.52 0.20 1 378 45 45 THR H H 8.91 0.02 1 379 45 45 THR HA H 5.13 0.02 1 380 45 45 THR HB H 3.99 0.02 1 381 45 45 THR HG2 H 1.14 0.02 1 382 45 45 THR CA C 62.90 0.20 1 383 45 45 THR CB C 69.27 0.20 1 384 45 45 THR CG2 C 22.50 0.20 1 385 45 45 THR N N 121.07 0.20 1 386 46 46 VAL H H 9.43 0.02 1 387 46 46 VAL HA H 4.54 0.02 1 388 46 46 VAL HB H 1.82 0.02 1 389 46 46 VAL HG1 H 0.65 0.02 1 390 46 46 VAL HG2 H 0.87 0.02 1 391 46 46 VAL CA C 61.45 0.20 1 392 46 46 VAL CB C 36.33 0.20 1 393 46 46 VAL CG1 C 23.28 0.20 1 394 46 46 VAL CG2 C 21.36 0.20 1 395 46 46 VAL N N 128.16 0.20 1 396 47 47 VAL H H 8.42 0.02 1 397 47 47 VAL HA H 5.33 0.02 1 398 47 47 VAL HB H 2.40 0.02 1 399 47 47 VAL HG1 H 1.22 0.02 1 400 47 47 VAL HG2 H 1.08 0.02 1 401 47 47 VAL CA C 60.46 0.20 1 402 47 47 VAL CB C 32.90 0.20 1 403 47 47 VAL CG1 C 24.82 0.20 1 404 47 47 VAL CG2 C 21.89 0.20 1 405 47 47 VAL N N 126.81 0.20 1 406 48 48 SER H H 8.74 0.02 1 407 48 48 SER HA H 5.18 0.02 1 408 48 48 SER HB2 H 3.92 0.02 2 409 48 48 SER HB3 H 3.92 0.02 2 410 48 48 SER CA C 57.05 0.20 1 411 48 48 SER CB C 65.28 0.20 1 412 48 48 SER N N 119.64 0.20 1 413 49 49 GLY HA2 H 3.57 0.02 2 414 49 49 GLY HA3 H 5.01 0.02 2 415 49 49 GLY CA C 47.37 0.20 1 416 50 50 LEU H H 7.04 0.02 1 417 50 50 LEU HA H 4.77 0.02 1 418 50 50 LEU HB2 H 2.07 0.02 2 419 50 50 LEU HB3 H 1.58 0.02 2 420 50 50 LEU HG H 1.49 0.02 1 421 50 50 LEU HD1 H 0.90 0.02 1 422 50 50 LEU HD2 H 0.97 0.02 1 423 50 50 LEU CA C 54.07 0.20 1 424 50 50 LEU CB C 45.35 0.20 1 425 50 50 LEU CG C 27.35 0.20 1 426 50 50 LEU CD1 C 25.36 0.20 1 427 50 50 LEU CD2 C 23.45 0.20 1 428 50 50 LEU N N 120.09 0.20 1 429 51 51 VAL H H 6.91 0.02 1 430 51 51 VAL HA H 3.33 0.02 1 431 51 51 VAL HB H 1.50 0.02 1 432 51 51 VAL HG1 H 0.19 0.02 1 433 51 51 VAL HG2 H 0.78 0.02 1 434 51 51 VAL CA C 65.27 0.20 1 435 51 51 VAL CB C 31.98 0.20 1 436 51 51 VAL CG1 C 21.54 0.20 1 437 51 51 VAL CG2 C 20.48 0.20 1 438 51 51 VAL N N 121.52 0.20 1 439 53 53 HIS HA H 4.79 0.02 1 440 53 53 HIS HB2 H 3.38 0.02 2 441 53 53 HIS HB3 H 2.65 0.02 2 442 53 53 HIS CA C 57.79 0.20 1 443 53 53 HIS CB C 34.82 0.20 1 444 54 54 VAL H H 8.24 0.02 1 445 54 54 VAL HA H 4.71 0.02 1 446 54 54 VAL HB H 2.20 0.02 1 447 54 54 VAL HG1 H 0.97 0.02 1 448 54 54 VAL HG2 H 1.05 0.02 1 449 54 54 VAL CA C 59.34 0.20 1 450 54 54 VAL CB C 35.77 0.20 1 451 54 54 VAL CG1 C 22.80 0.20 1 452 54 54 VAL CG2 C 20.67 0.20 1 453 54 54 VAL N N 120.85 0.20 1 454 55 55 PRO HA H 4.58 0.02 1 455 55 55 PRO HB2 H 1.96 0.02 2 456 55 55 PRO HB3 H 2.55 0.02 2 457 55 55 PRO HG2 H 2.03 0.02 2 458 55 55 PRO HG3 H 2.03 0.02 2 459 55 55 PRO HD2 H 3.91 0.02 2 460 55 55 PRO HD3 H 3.65 0.02 2 461 55 55 PRO CA C 62.70 0.20 1 462 55 55 PRO CB C 33.06 0.20 1 463 55 55 PRO CG C 27.83 0.20 1 464 55 55 PRO CD C 51.59 0.20 1 465 56 56 LEU H H 8.72 0.02 1 466 56 56 LEU HA H 3.53 0.02 1 467 56 56 LEU HB2 H 1.70 0.02 2 468 56 56 LEU HB3 H 1.70 0.02 2 469 56 56 LEU HG H 1.49 0.02 1 470 56 56 LEU HD1 H 0.58 0.02 1 471 56 56 LEU HD2 H 0.76 0.02 1 472 56 56 LEU CA C 58.71 0.20 1 473 56 56 LEU CB C 41.81 0.20 1 474 56 56 LEU CG C 26.78 0.20 1 475 56 56 LEU CD1 C 23.37 0.20 1 476 56 56 LEU CD2 C 25.43 0.20 1 477 56 56 LEU N N 126.35 0.20 1 478 57 57 GLU H H 9.53 0.02 1 479 57 57 GLU HA H 4.20 0.02 1 480 57 57 GLU HB2 H 2.10 0.02 2 481 57 57 GLU HB3 H 2.10 0.02 2 482 57 57 GLU HG2 H 2.38 0.02 2 483 57 57 GLU HG3 H 2.38 0.02 2 484 57 57 GLU CA C 59.52 0.20 1 485 57 57 GLU CB C 28.56 0.20 1 486 57 57 GLU CG C 36.31 0.20 1 487 57 57 GLU N N 117.38 0.20 1 488 58 58 GLN H H 7.60 0.02 1 489 58 58 GLN HA H 4.40 0.02 1 490 58 58 GLN HB2 H 1.90 0.02 2 491 58 58 GLN HB3 H 2.26 0.02 2 492 58 58 GLN HG2 H 2.46 0.02 2 493 58 58 GLN HG3 H 2.46 0.02 2 494 58 58 GLN CA C 56.03 0.20 1 495 58 58 GLN CB C 28.51 0.20 1 496 58 58 GLN CG C 34.79 0.20 1 497 58 58 GLN N N 115.46 0.20 1 498 59 59 MET H H 7.57 0.02 1 499 59 59 MET HA H 4.34 0.02 1 500 59 59 MET HB2 H 2.19 0.02 2 501 59 59 MET HB3 H 1.76 0.02 2 502 59 59 MET HE H 1.66 0.02 1 503 59 59 MET CA C 54.63 0.20 1 504 59 59 MET CB C 31.75 0.20 1 505 59 59 MET CE C 16.14 0.20 1 506 59 59 MET N N 117.85 0.20 1 507 60 60 GLN H H 6.65 0.02 1 508 60 60 GLN HA H 3.80 0.02 1 509 60 60 GLN HB2 H 2.14 0.02 2 510 60 60 GLN HB3 H 1.93 0.02 2 511 60 60 GLN HG2 H 2.52 0.02 2 512 60 60 GLN HG3 H 2.52 0.02 2 513 60 60 GLN CA C 55.66 0.20 1 514 60 60 GLN CB C 27.51 0.20 1 515 60 60 GLN CG C 32.69 0.20 1 516 60 60 GLN N N 112.62 0.20 1 517 61 61 ASN H H 8.37 0.02 1 518 61 61 ASN HA H 4.46 0.02 1 519 61 61 ASN HB2 H 3.00 0.02 2 520 61 61 ASN HB3 H 2.76 0.02 2 521 61 61 ASN CA C 54.73 0.20 1 522 61 61 ASN CB C 37.37 0.20 1 523 61 61 ASN N N 121.33 0.20 1 524 62 62 ARG H H 7.19 0.02 1 525 62 62 ARG HA H 4.32 0.02 1 526 62 62 ARG HB2 H 1.74 0.02 2 527 62 62 ARG HB3 H 1.52 0.02 2 528 62 62 ARG HG2 H 1.60 0.02 2 529 62 62 ARG HG3 H 1.60 0.02 2 530 62 62 ARG HD2 H 3.44 0.02 2 531 62 62 ARG HD3 H 3.05 0.02 2 532 62 62 ARG CA C 55.02 0.20 1 533 62 62 ARG CB C 32.98 0.20 1 534 62 62 ARG CG C 27.61 0.20 1 535 62 62 ARG CD C 43.20 0.20 1 536 62 62 ARG N N 119.35 0.20 1 537 63 63 MET H H 8.84 0.02 1 538 63 63 MET HA H 5.37 0.02 1 539 63 63 MET HB2 H 1.85 0.02 2 540 63 63 MET HB3 H 2.05 0.02 2 541 63 63 MET HG2 H 2.67 0.02 2 542 63 63 MET HG3 H 2.67 0.02 2 543 63 63 MET HE H 1.57 0.02 1 544 63 63 MET CA C 53.65 0.20 1 545 63 63 MET CB C 30.55 0.20 1 546 63 63 MET CG C 32.10 0.20 1 547 63 63 MET N N 127.11 0.20 1 548 64 64 VAL H H 9.04 0.02 1 549 64 64 VAL HA H 4.87 0.02 1 550 64 64 VAL HB H 2.42 0.02 1 551 64 64 VAL HG1 H 0.86 0.02 1 552 64 64 VAL HG2 H 0.55 0.02 1 553 64 64 VAL CA C 59.30 0.20 1 554 64 64 VAL CB C 36.31 0.20 1 555 64 64 VAL CG1 C 22.98 0.20 1 556 64 64 VAL CG2 C 17.59 0.20 1 557 64 64 VAL N N 115.13 0.20 1 558 65 65 ILE H H 10.10 0.02 1 559 65 65 ILE HA H 4.42 0.02 1 560 65 65 ILE HB H 1.80 0.02 1 561 65 65 ILE HG12 H 1.40 0.02 2 562 65 65 ILE HG13 H 1.04 0.02 2 563 65 65 ILE HG2 H 0.67 0.02 1 564 65 65 ILE HD1 H 0.81 0.02 1 565 65 65 ILE CA C 61.18 0.20 1 566 65 65 ILE CB C 39.80 0.20 1 567 65 65 ILE CG1 C 29.54 0.20 1 568 65 65 ILE CG2 C 17.27 0.20 1 569 65 65 ILE CD1 C 20.13 0.20 1 570 65 65 ILE N N 121.80 0.20 1 571 66 66 LEU H H 9.52 0.02 1 572 66 66 LEU HA H 5.45 0.02 1 573 66 66 LEU HB2 H 1.26 0.02 2 574 66 66 LEU HB3 H 1.35 0.02 2 575 66 66 LEU HG H 1.35 0.02 1 576 66 66 LEU HD1 H 0.59 0.02 1 577 66 66 LEU HD2 H 0.59 0.02 1 578 66 66 LEU CA C 52.37 0.20 1 579 66 66 LEU CB C 45.73 0.20 1 580 66 66 LEU CG C 27.15 0.20 1 581 66 66 LEU CD1 C 26.65 0.20 1 582 66 66 LEU CD2 C 26.35 0.20 1 583 66 66 LEU N N 125.32 0.20 1 584 67 67 LEU H H 8.94 0.02 1 585 67 67 LEU HA H 4.89 0.02 1 586 67 67 LEU HB2 H 1.70 0.02 2 587 67 67 LEU HB3 H 1.38 0.02 2 588 67 67 LEU HG H 1.26 0.02 1 589 67 67 LEU HD1 H 0.05 0.02 2 590 67 67 LEU HD2 H 0.92 0.02 2 591 67 67 LEU CA C 54.77 0.20 1 592 67 67 LEU CB C 42.45 0.20 1 593 67 67 LEU CG C 28.07 0.20 1 594 67 67 LEU CD1 C 25.93 0.20 1 595 67 67 LEU CD2 C 25.80 0.20 1 596 67 67 LEU N N 123.75 0.20 1 597 68 68 CYS H H 9.24 0.02 1 598 68 68 CYS HA H 4.69 0.02 1 599 68 68 CYS HB2 H 2.83 0.02 2 600 68 68 CYS HB3 H 2.83 0.02 2 601 68 68 CYS HG H 2.00 0.02 1 602 68 68 CYS CA C 62.48 0.20 1 603 68 68 CYS CB C 29.93 0.20 1 604 68 68 CYS N N 121.50 0.20 1 605 69 69 ASN H H 8.33 0.02 1 606 69 69 ASN HA H 5.29 0.02 1 607 69 69 ASN HB2 H 2.64 0.02 2 608 69 69 ASN HB3 H 3.26 0.02 2 609 69 69 ASN CA C 52.17 0.20 1 610 69 69 ASN CB C 37.46 0.20 1 611 69 69 ASN N N 114.83 0.20 1 612 70 70 LEU H H 7.52 0.02 1 613 70 70 LEU HA H 4.53 0.02 1 614 70 70 LEU HB2 H 1.36 0.02 2 615 70 70 LEU HB3 H 1.36 0.02 2 616 70 70 LEU HG H 1.30 0.02 1 617 70 70 LEU HD1 H 0.56 0.02 1 618 70 70 LEU HD2 H 0.67 0.02 1 619 70 70 LEU CA C 54.41 0.20 1 620 70 70 LEU CB C 42.96 0.20 1 621 70 70 LEU CG C 26.90 0.20 1 622 70 70 LEU CD1 C 25.76 0.20 1 623 70 70 LEU CD2 C 24.15 0.20 1 624 70 70 LEU N N 118.60 0.20 1 625 71 71 LYS H H 9.20 0.02 1 626 71 71 LYS HA H 4.46 0.02 1 627 71 71 LYS HB2 H 1.75 0.02 2 628 71 71 LYS HB3 H 1.82 0.02 2 629 71 71 LYS HG2 H 1.54 0.02 2 630 71 71 LYS HG3 H 1.54 0.02 2 631 71 71 LYS HD2 H 1.71 0.02 2 632 71 71 LYS HD3 H 1.71 0.02 2 633 71 71 LYS HE2 H 3.08 0.02 2 634 71 71 LYS HE3 H 3.08 0.02 2 635 71 71 LYS CA C 55.00 0.20 1 636 71 71 LYS CB C 33.03 0.20 1 637 71 71 LYS CG C 24.49 0.20 1 638 71 71 LYS CD C 29.89 0.20 1 639 71 71 LYS CE C 41.89 0.20 1 640 71 71 LYS N N 126.99 0.20 1 641 72 72 PRO HA H 4.49 0.02 1 642 72 72 PRO HB2 H 2.11 0.02 2 643 72 72 PRO HB3 H 1.84 0.02 2 644 72 72 PRO HG2 H 2.05 0.02 2 645 72 72 PRO HG3 H 2.05 0.02 2 646 72 72 PRO HD2 H 3.65 0.02 2 647 72 72 PRO HD3 H 4.15 0.02 2 648 72 72 PRO CA C 64.00 0.20 1 649 72 72 PRO CB C 32.82 0.20 1 650 72 72 PRO CG C 27.80 0.20 1 651 72 72 PRO CD C 51.58 0.20 1 652 73 73 ALA H H 7.96 0.02 1 653 73 73 ALA HA H 4.71 0.02 1 654 73 73 ALA HB H 1.41 0.02 1 655 73 73 ALA CA C 50.69 0.20 1 656 73 73 ALA CB C 22.68 0.20 1 657 73 73 ALA N N 124.06 0.20 1 658 74 74 LYS H H 8.21 0.02 1 659 74 74 LYS HA H 4.51 0.02 1 660 74 74 LYS HB2 H 1.81 0.02 2 661 74 74 LYS HB3 H 1.45 0.02 2 662 74 74 LYS HG2 H 1.04 0.02 2 663 74 74 LYS HG3 H 1.45 0.02 2 664 74 74 LYS HD2 H 1.61 0.02 2 665 74 74 LYS HD3 H 1.61 0.02 2 666 74 74 LYS HE2 H 2.92 0.02 2 667 74 74 LYS HE3 H 2.92 0.02 2 668 74 74 LYS CA C 56.56 0.20 1 669 74 74 LYS CB C 33.60 0.20 1 670 74 74 LYS CG C 26.38 0.20 1 671 74 74 LYS CD C 29.51 0.20 1 672 74 74 LYS CE C 41.62 0.20 1 673 74 74 LYS N N 120.57 0.20 1 674 75 75 MET H H 9.08 0.02 1 675 75 75 MET HA H 4.71 0.02 1 676 75 75 MET HB2 H 2.01 0.02 2 677 75 75 MET HB3 H 2.01 0.02 2 678 75 75 MET HG2 H 2.53 0.02 2 679 75 75 MET HG3 H 2.53 0.02 2 680 75 75 MET HE H 1.44 0.02 1 681 75 75 MET CA C 54.66 0.20 1 682 75 75 MET CB C 33.44 0.20 1 683 75 75 MET CG C 31.90 0.20 1 684 75 75 MET N N 124.74 0.20 1 685 76 76 ARG HA H 3.93 0.02 1 686 76 76 ARG HB2 H 1.94 0.02 2 687 76 76 ARG HB3 H 1.42 0.02 2 688 76 76 ARG HG2 H 1.52 0.02 2 689 76 76 ARG HG3 H 1.52 0.02 2 690 76 76 ARG HD2 H 3.11 0.02 2 691 76 76 ARG HD3 H 3.11 0.02 2 692 76 76 ARG CA C 55.59 0.20 1 693 76 76 ARG CB C 27.65 0.20 1 694 76 76 ARG CG C 26.66 0.20 1 695 76 76 ARG CD C 41.94 0.20 1 696 77 77 GLY H H 8.55 0.02 1 697 77 77 GLY HA2 H 4.32 0.02 2 698 77 77 GLY HA3 H 3.60 0.02 2 699 77 77 GLY CA C 45.44 0.20 1 700 77 77 GLY N N 103.29 0.20 1 701 78 78 VAL H H 7.43 0.02 1 702 78 78 VAL HA H 4.18 0.02 1 703 78 78 VAL HB H 1.90 0.02 1 704 78 78 VAL HG1 H 0.79 0.02 1 705 78 78 VAL HG2 H 0.59 0.02 1 706 78 78 VAL CA C 61.11 0.20 1 707 78 78 VAL CB C 33.94 0.20 1 708 78 78 VAL CG1 C 21.31 0.20 1 709 78 78 VAL CG2 C 20.87 0.20 1 710 78 78 VAL N N 121.32 0.20 1 711 79 79 LEU H H 8.74 0.02 1 712 79 79 LEU HA H 3.98 0.02 1 713 79 79 LEU HB2 H 1.85 0.02 2 714 79 79 LEU HB3 H 1.31 0.02 2 715 79 79 LEU HG H 1.24 0.02 1 716 79 79 LEU HD1 H 0.88 0.02 1 717 79 79 LEU HD2 H 0.72 0.02 1 718 79 79 LEU CA C 55.93 0.20 1 719 79 79 LEU CB C 42.40 0.20 1 720 79 79 LEU CG C 27.07 0.20 1 721 79 79 LEU CD1 C 25.45 0.20 1 722 79 79 LEU CD2 C 23.82 0.20 1 723 79 79 LEU N N 130.21 0.20 1 724 80 80 SER H H 8.51 0.02 1 725 80 80 SER HA H 4.79 0.02 1 726 80 80 SER HB2 H 4.34 0.02 2 727 80 80 SER HB3 H 3.60 0.02 2 728 80 80 SER CA C 56.87 0.20 1 729 80 80 SER CB C 63.73 0.20 1 730 80 80 SER N N 120.40 0.20 1 731 81 81 GLN H H 9.62 0.02 1 732 81 81 GLN HA H 4.39 0.02 1 733 81 81 GLN HB2 H 2.58 0.02 2 734 81 81 GLN HB3 H 2.58 0.02 2 735 81 81 GLN HG2 H 2.27 0.02 2 736 81 81 GLN HG3 H 2.27 0.02 2 737 81 81 GLN CA C 56.05 0.20 1 738 81 81 GLN CB C 32.31 0.20 1 739 81 81 GLN CG C 35.22 0.20 1 740 81 81 GLN N N 123.94 0.20 1 741 82 82 ALA H H 8.27 0.02 1 742 82 82 ALA HA H 4.61 0.02 1 743 82 82 ALA HB H 1.39 0.02 1 744 82 82 ALA CA C 51.50 0.20 1 745 82 82 ALA CB C 22.18 0.20 1 746 82 82 ALA N N 120.02 0.20 1 747 83 83 MET H H 7.61 0.02 1 748 83 83 MET HA H 4.69 0.02 1 749 83 83 MET HB2 H 2.07 0.02 2 750 83 83 MET HB3 H 1.67 0.02 2 751 83 83 MET HG2 H 2.34 0.02 2 752 83 83 MET HG3 H 2.34 0.02 2 753 83 83 MET HE H 1.36 0.02 1 754 83 83 MET CA C 55.19 0.20 1 755 83 83 MET CB C 38.19 0.20 1 756 83 83 MET CG C 31.36 0.20 1 757 83 83 MET N N 115.12 0.20 1 758 84 84 VAL H H 8.66 0.02 1 759 84 84 VAL HA H 4.13 0.02 1 760 84 84 VAL HB H 1.90 0.02 1 761 84 84 VAL HG1 H 0.81 0.02 1 762 84 84 VAL HG2 H 0.92 0.02 1 763 84 84 VAL CA C 62.90 0.20 1 764 84 84 VAL CB C 32.41 0.20 1 765 84 84 VAL CG1 C 22.05 0.20 1 766 84 84 VAL CG2 C 21.89 0.20 1 767 84 84 VAL N N 126.31 0.20 1 768 85 85 MET H H 8.89 0.02 1 769 85 85 MET HA H 4.88 0.02 1 770 85 85 MET HB2 H 2.11 0.02 2 771 85 85 MET HB3 H 1.74 0.02 2 772 85 85 MET HG2 H 2.44 0.02 2 773 85 85 MET HG3 H 2.44 0.02 2 774 85 85 MET HE H 1.34 0.02 1 775 85 85 MET CA C 55.56 0.20 1 776 85 85 MET CB C 36.21 0.20 1 777 85 85 MET CG C 33.03 0.20 1 778 85 85 MET N N 126.45 0.20 1 779 86 86 CYS H H 9.45 0.02 1 780 86 86 CYS HA H 5.10 0.02 1 781 86 86 CYS HB2 H 2.74 0.02 2 782 86 86 CYS HB3 H 2.74 0.02 2 783 86 86 CYS HG H 2.03 0.02 1 784 86 86 CYS CA C 58.25 0.20 1 785 86 86 CYS CB C 32.02 0.20 1 786 86 86 CYS N N 122.18 0.20 1 787 87 87 ALA H H 9.06 0.02 1 788 87 87 ALA HA H 4.98 0.02 1 789 87 87 ALA HB H 1.39 0.02 1 790 87 87 ALA CA C 51.76 0.20 1 791 87 87 ALA CB C 19.44 0.20 1 792 87 87 ALA N N 125.19 0.20 1 793 88 88 SER H H 8.65 0.02 1 794 88 88 SER HA H 5.08 0.02 1 795 88 88 SER HB2 H 3.42 0.02 2 796 88 88 SER HB3 H 3.42 0.02 2 797 88 88 SER CA C 57.46 0.20 1 798 88 88 SER CB C 65.54 0.20 1 799 88 88 SER N N 116.64 0.20 1 800 89 89 SER H H 8.62 0.02 1 801 89 89 SER HA H 4.95 0.02 1 802 89 89 SER HB2 H 4.36 0.02 2 803 89 89 SER HB3 H 3.84 0.02 2 804 89 89 SER CA C 56.38 0.20 1 805 89 89 SER CB C 65.09 0.20 1 806 89 89 SER N N 124.76 0.20 1 807 90 90 PRO HA H 4.34 0.02 1 808 90 90 PRO HB2 H 2.45 0.02 2 809 90 90 PRO HB3 H 1.91 0.02 2 810 90 90 PRO HG2 H 2.17 0.02 2 811 90 90 PRO HG3 H 1.97 0.02 2 812 90 90 PRO HD2 H 3.88 0.02 2 813 90 90 PRO HD3 H 3.88 0.02 2 814 90 90 PRO CA C 65.39 0.20 1 815 90 90 PRO CB C 31.83 0.20 1 816 90 90 PRO CG C 28.19 0.20 1 817 90 90 PRO CD C 50.68 0.20 1 818 91 91 GLU H H 8.05 0.02 1 819 91 91 GLU HA H 4.43 0.02 1 820 91 91 GLU HB2 H 2.10 0.02 2 821 91 91 GLU HB3 H 1.90 0.02 2 822 91 91 GLU HG2 H 2.26 0.02 2 823 91 91 GLU HG3 H 2.26 0.02 2 824 91 91 GLU CA C 56.84 0.20 1 825 91 91 GLU CB C 31.62 0.20 1 826 91 91 GLU CG C 36.55 0.20 1 827 91 91 GLU N N 112.10 0.20 1 828 92 92 LYS H H 7.58 0.02 1 829 92 92 LYS HA H 4.54 0.02 1 830 92 92 LYS HB2 H 1.67 0.02 2 831 92 92 LYS HB3 H 1.67 0.02 2 832 92 92 LYS HG2 H 1.49 0.02 2 833 92 92 LYS HG3 H 1.49 0.02 2 834 92 92 LYS HD2 H 1.60 0.02 2 835 92 92 LYS HD3 H 1.60 0.02 2 836 92 92 LYS HE2 H 2.95 0.02 2 837 92 92 LYS HE3 H 2.95 0.02 2 838 92 92 LYS CA C 56.76 0.20 1 839 92 92 LYS CB C 36.48 0.20 1 840 92 92 LYS CG C 25.36 0.20 1 841 92 92 LYS CD C 29.38 0.20 1 842 92 92 LYS CE C 41.94 0.20 1 843 92 92 LYS N N 121.35 0.20 1 844 93 93 ILE H H 7.09 0.02 1 845 93 93 ILE HA H 4.81 0.02 1 846 93 93 ILE HB H 1.01 0.02 1 847 93 93 ILE HG12 H 1.03 0.02 2 848 93 93 ILE HG13 H 0.81 0.02 2 849 93 93 ILE HG2 H 0.68 0.02 1 850 93 93 ILE HD1 H 0.57 0.02 1 851 93 93 ILE CA C 59.71 0.20 1 852 93 93 ILE CB C 41.79 0.20 1 853 93 93 ILE CG1 C 27.46 0.20 1 854 93 93 ILE CG2 C 18.34 0.20 1 855 93 93 ILE CD1 C 13.42 0.20 1 856 93 93 ILE N N 122.06 0.20 1 857 94 94 GLU H H 8.78 0.02 1 858 94 94 GLU HA H 4.67 0.02 1 859 94 94 GLU HB2 H 2.06 0.02 2 860 94 94 GLU HB3 H 2.06 0.02 2 861 94 94 GLU HG2 H 2.38 0.02 2 862 94 94 GLU HG3 H 2.38 0.02 2 863 94 94 GLU CA C 54.54 0.20 1 864 94 94 GLU CB C 33.01 0.20 1 865 94 94 GLU CG C 37.37 0.20 1 866 94 94 GLU N N 123.83 0.20 1 867 95 95 ILE H H 8.99 0.02 1 868 95 95 ILE HA H 4.12 0.02 1 869 95 95 ILE HB H 1.78 0.02 1 870 95 95 ILE HG12 H 1.71 0.02 2 871 95 95 ILE HG13 H 0.99 0.02 2 872 95 95 ILE HG2 H 1.05 0.02 1 873 95 95 ILE HD1 H 0.84 0.02 1 874 95 95 ILE CA C 62.55 0.20 1 875 95 95 ILE CB C 39.17 0.20 1 876 95 95 ILE CG1 C 27.89 0.20 1 877 95 95 ILE CG2 C 18.44 0.20 1 878 95 95 ILE CD1 C 14.49 0.20 1 879 95 95 ILE N N 124.43 0.20 1 880 96 96 LEU H H 7.61 0.02 1 881 96 96 LEU HA H 4.12 0.02 1 882 96 96 LEU HB2 H 1.83 0.02 2 883 96 96 LEU HB3 H 0.67 0.02 2 884 96 96 LEU HG H 1.57 0.02 1 885 96 96 LEU HD1 H 0.43 0.02 1 886 96 96 LEU HD2 H 0.57 0.02 1 887 96 96 LEU CA C 55.52 0.20 1 888 96 96 LEU CB C 43.42 0.20 1 889 96 96 LEU CG C 26.36 0.20 1 890 96 96 LEU CD1 C 26.18 0.20 1 891 96 96 LEU CD2 C 23.22 0.20 1 892 96 96 LEU N N 126.45 0.20 1 893 97 97 ALA H H 9.18 0.02 1 894 97 97 ALA HA H 5.12 0.02 1 895 97 97 ALA HB H 1.48 0.02 1 896 97 97 ALA CA C 48.60 0.20 1 897 97 97 ALA CB C 20.48 0.20 1 898 97 97 ALA N N 124.75 0.20 1 899 98 98 PRO HA H 4.98 0.02 1 900 98 98 PRO HB2 H 2.23 0.02 2 901 98 98 PRO HB3 H 2.06 0.02 2 902 98 98 PRO HG2 H 1.95 0.02 2 903 98 98 PRO HG3 H 1.75 0.02 2 904 98 98 PRO HD2 H 3.77 0.02 2 905 98 98 PRO HD3 H 3.67 0.02 2 906 98 98 PRO CA C 60.59 0.20 1 907 98 98 PRO CB C 30.92 0.20 1 908 98 98 PRO CG C 27.12 0.20 1 909 98 98 PRO CD C 50.72 0.20 1 910 99 99 PRO HA H 4.42 0.02 1 911 99 99 PRO HB2 H 2.29 0.02 2 912 99 99 PRO HB3 H 1.92 0.02 2 913 99 99 PRO HG2 H 2.01 0.02 2 914 99 99 PRO HG3 H 2.01 0.02 2 915 99 99 PRO HD2 H 3.77 0.02 2 916 99 99 PRO HD3 H 3.52 0.02 2 917 99 99 PRO CA C 63.55 0.20 1 918 99 99 PRO CB C 32.22 0.20 1 919 99 99 PRO CG C 27.32 0.20 1 920 99 99 PRO CD C 50.66 0.20 1 921 101 101 GLY HA2 H 4.29 0.02 2 922 101 101 GLY HA3 H 3.69 0.02 2 923 101 101 GLY CA C 45.03 0.20 1 924 102 102 SER H H 7.73 0.02 1 925 102 102 SER HA H 4.34 0.02 1 926 102 102 SER HB2 H 3.75 0.02 2 927 102 102 SER HB3 H 3.75 0.02 2 928 102 102 SER CA C 60.80 0.20 1 929 102 102 SER CB C 64.50 0.20 1 930 102 102 SER N N 117.97 0.20 1 931 103 103 VAL H H 8.85 0.02 1 932 103 103 VAL HA H 4.75 0.02 1 933 103 103 VAL HB H 2.13 0.02 1 934 103 103 VAL HG1 H 0.90 0.02 1 935 103 103 VAL HG2 H 0.70 0.02 1 936 103 103 VAL CA C 58.03 0.20 1 937 103 103 VAL CB C 33.13 0.20 1 938 103 103 VAL CG1 C 20.58 0.20 1 939 103 103 VAL CG2 C 18.63 0.20 1 940 103 103 VAL N N 118.87 0.20 1 941 104 104 PRO HA H 3.97 0.02 1 942 104 104 PRO HB2 H 2.14 0.02 2 943 104 104 PRO HB3 H 2.22 0.02 2 944 104 104 PRO HG2 H 1.82 0.02 2 945 104 104 PRO HG3 H 1.82 0.02 2 946 104 104 PRO HD2 H 3.56 0.02 2 947 104 104 PRO HD3 H 3.70 0.02 2 948 104 104 PRO CA C 63.56 0.20 1 949 104 104 PRO CB C 31.37 0.20 1 950 104 104 PRO CD C 51.02 0.20 1 951 105 105 GLY H H 9.33 0.02 1 952 105 105 GLY HA2 H 4.42 0.02 2 953 105 105 GLY HA3 H 3.41 0.02 2 954 105 105 GLY CA C 45.39 0.20 1 955 105 105 GLY N N 113.93 0.20 1 956 106 106 ASP H H 8.17 0.02 1 957 106 106 ASP HA H 4.63 0.02 1 958 106 106 ASP HB2 H 2.50 0.02 2 959 106 106 ASP HB3 H 2.79 0.02 2 960 106 106 ASP CA C 55.97 0.20 1 961 106 106 ASP CB C 41.58 0.20 1 962 106 106 ASP N N 121.97 0.20 1 963 107 107 ARG H H 8.74 0.02 1 964 107 107 ARG HA H 4.82 0.02 1 965 107 107 ARG HB2 H 1.79 0.02 2 966 107 107 ARG HB3 H 1.79 0.02 2 967 107 107 ARG HG2 H 1.93 0.02 2 968 107 107 ARG HG3 H 1.68 0.02 2 969 107 107 ARG HD2 H 3.26 0.02 2 970 107 107 ARG HD3 H 3.08 0.02 2 971 107 107 ARG CA C 55.19 0.20 1 972 107 107 ARG CB C 32.77 0.20 1 973 107 107 ARG CG C 27.73 0.20 1 974 107 107 ARG CD C 43.34 0.20 1 975 107 107 ARG N N 119.90 0.20 1 976 108 108 ILE H H 7.64 0.02 1 977 108 108 ILE HA H 4.49 0.02 1 978 108 108 ILE HB H 1.77 0.02 1 979 108 108 ILE HG2 H 0.35 0.02 1 980 108 108 ILE HD1 H 0.67 0.02 1 981 108 108 ILE CA C 58.82 0.20 1 982 108 108 ILE CB C 36.36 0.20 1 983 108 108 ILE CG1 C 28.85 0.20 1 984 108 108 ILE CG2 C 18.98 0.20 1 985 108 108 ILE CD1 C 14.35 0.20 1 986 108 108 ILE N N 122.90 0.20 1 987 109 109 THR H H 8.79 0.02 1 988 109 109 THR HA H 4.62 0.02 1 989 109 109 THR HB H 4.22 0.02 1 990 109 109 THR HG2 H 1.14 0.02 1 991 109 109 THR CA C 59.91 0.20 1 992 109 109 THR CB C 72.17 0.20 1 993 109 109 THR CG2 C 21.82 0.20 1 994 109 109 THR N N 118.23 0.20 1 995 110 110 PHE H H 8.79 0.02 1 996 110 110 PHE HA H 4.92 0.02 1 997 110 110 PHE HB2 H 2.96 0.02 2 998 110 110 PHE HB3 H 2.96 0.02 2 999 110 110 PHE CA C 55.74 0.20 1 1000 110 110 PHE CB C 41.96 0.20 1 1001 110 110 PHE N N 117.58 0.20 1 1002 111 111 ASP H H 8.54 0.02 1 1003 111 111 ASP HA H 4.25 0.02 1 1004 111 111 ASP HB2 H 2.70 0.02 2 1005 111 111 ASP HB3 H 2.70 0.02 2 1006 111 111 ASP CA C 57.71 0.20 1 1007 111 111 ASP CB C 40.38 0.20 1 1008 112 112 ALA H H 7.79 0.02 1 1009 112 112 ALA HA H 4.07 0.02 1 1010 112 112 ALA HB H 1.14 0.02 1 1011 112 112 ALA CA C 52.62 0.20 1 1012 112 112 ALA CB C 19.50 0.20 1 1013 112 112 ALA N N 116.68 0.20 1 1014 113 113 PHE H H 7.35 0.02 1 1015 113 113 PHE HA H 5.12 0.02 1 1016 113 113 PHE HB2 H 2.98 0.02 2 1017 113 113 PHE HB3 H 2.57 0.02 2 1018 113 113 PHE CA C 55.17 0.20 1 1019 113 113 PHE CB C 40.20 0.20 1 1020 113 113 PHE N N 113.92 0.20 1 1021 114 114 PRO HA H 4.74 0.02 1 1022 114 114 PRO HB2 H 2.33 0.02 2 1023 114 114 PRO HB3 H 2.01 0.02 2 1024 114 114 PRO HG2 H 1.99 0.02 2 1025 114 114 PRO HG3 H 1.99 0.02 2 1026 114 114 PRO HD2 H 3.64 0.02 2 1027 114 114 PRO HD3 H 3.32 0.02 2 1028 114 114 PRO CA C 62.76 0.20 1 1029 114 114 PRO CB C 32.73 0.20 1 1030 114 114 PRO CG C 26.72 0.20 1 1031 114 114 PRO CD C 49.91 0.20 1 1032 115 115 GLY H H 8.18 0.02 1 1033 115 115 GLY HA2 H 4.53 0.02 2 1034 115 115 GLY HA3 H 3.80 0.02 2 1035 115 115 GLY CA C 44.52 0.20 1 1036 115 115 GLY N N 107.55 0.20 1 1037 116 116 GLU H H 8.33 0.02 1 1038 116 116 GLU HA H 4.83 0.02 1 1039 116 116 GLU HB2 H 2.04 0.02 2 1040 116 116 GLU HB3 H 1.86 0.02 2 1041 116 116 GLU HG2 H 2.34 0.02 2 1042 116 116 GLU HG3 H 2.34 0.02 2 1043 116 116 GLU CA C 53.02 0.20 1 1044 116 116 GLU CB C 30.46 0.20 1 1045 116 116 GLU CG C 35.90 0.20 1 1046 116 116 GLU N N 120.18 0.20 1 1047 117 117 PRO HA H 4.72 0.02 1 1048 117 117 PRO HB2 H 1.95 0.02 2 1049 117 117 PRO HB3 H 1.68 0.02 2 1050 117 117 PRO HG2 H 2.06 0.02 2 1051 117 117 PRO HG3 H 2.06 0.02 2 1052 117 117 PRO HD2 H 4.01 0.02 2 1053 117 117 PRO HD3 H 3.74 0.02 2 1054 117 117 PRO CA C 62.14 0.20 1 1055 117 117 PRO CB C 31.80 0.20 1 1056 117 117 PRO CG C 26.52 0.20 1 1057 117 117 PRO CD C 50.38 0.20 1 1058 118 118 ASP H H 7.76 0.02 1 1059 118 118 ASP HA H 4.44 0.02 1 1060 118 118 ASP HB2 H 2.58 0.02 2 1061 118 118 ASP HB3 H 2.26 0.02 2 1062 118 118 ASP CA C 54.64 0.20 1 1063 118 118 ASP CB C 39.81 0.20 1 1064 118 118 ASP N N 121.36 0.20 1 1065 119 119 LYS H H 7.46 0.02 1 1066 119 119 LYS HA H 3.98 0.02 1 1067 119 119 LYS HB2 H 1.91 0.02 2 1068 119 119 LYS HB3 H 1.91 0.02 2 1069 119 119 LYS HG2 H 1.53 0.02 2 1070 119 119 LYS HG3 H 1.53 0.02 2 1071 119 119 LYS HD2 H 1.75 0.02 2 1072 119 119 LYS HD3 H 1.75 0.02 2 1073 119 119 LYS HE2 H 3.04 0.02 2 1074 119 119 LYS HE3 H 3.04 0.02 2 1075 119 119 LYS CA C 59.77 0.20 1 1076 119 119 LYS CB C 31.56 0.20 1 1077 119 119 LYS CG C 24.95 0.20 1 1078 119 119 LYS CD C 28.93 0.20 1 1079 119 119 LYS CE C 41.90 0.20 1 1080 120 120 GLU H H 7.64 0.02 1 1081 120 120 GLU HA H 4.41 0.02 1 1082 120 120 GLU HB2 H 2.44 0.02 2 1083 120 120 GLU HB3 H 1.90 0.02 2 1084 120 120 GLU HG2 H 1.95 0.02 2 1085 120 120 GLU HG3 H 1.95 0.02 2 1086 120 120 GLU CA C 56.02 0.20 1 1087 120 120 GLU CB C 33.95 0.20 1 1088 120 120 GLU CG C 37.90 0.20 1 1089 120 120 GLU N N 114.58 0.20 1 1090 121 121 LEU H H 8.82 0.02 1 1091 121 121 LEU HA H 4.34 0.02 1 1092 121 121 LEU HB2 H 1.61 0.02 2 1093 121 121 LEU HB3 H 1.83 0.02 2 1094 121 121 LEU HG H 0.76 0.02 1 1095 121 121 LEU HD1 H 0.90 0.02 1 1096 121 121 LEU HD2 H 0.83 0.02 1 1097 121 121 LEU CA C 54.43 0.20 1 1098 121 121 LEU CB C 40.64 0.20 1 1099 121 121 LEU CG C 26.67 0.20 1 1100 121 121 LEU CD1 C 24.84 0.20 1 1101 121 121 LEU CD2 C 23.36 0.20 1 1102 121 121 LEU N N 128.04 0.20 1 1103 122 122 ASN H H 8.77 0.02 1 1104 122 122 ASN HA H 4.96 0.02 1 1105 122 122 ASN HB2 H 3.07 0.02 2 1106 122 122 ASN HB3 H 2.88 0.02 2 1107 122 122 ASN CA C 51.03 0.20 1 1108 122 122 ASN CB C 38.88 0.20 1 1109 122 122 ASN N N 126.20 0.20 1 1110 123 123 PRO HA H 4.50 0.02 1 1111 123 123 PRO HB2 H 2.57 0.02 2 1112 123 123 PRO HB3 H 2.13 0.02 2 1113 123 123 PRO HG2 H 2.20 0.02 2 1114 123 123 PRO HG3 H 2.20 0.02 2 1115 123 123 PRO HD2 H 3.98 0.02 2 1116 123 123 PRO HD3 H 4.39 0.02 2 1117 123 123 PRO CA C 65.21 0.20 1 1118 123 123 PRO CB C 32.52 0.20 1 1119 123 123 PRO CG C 27.65 0.20 1 1120 123 123 PRO CD C 51.56 0.20 1 1121 124 124 LYS H H 7.97 0.02 1 1122 124 124 LYS HA H 4.18 0.02 1 1123 124 124 LYS HB2 H 1.87 0.02 2 1124 124 124 LYS HB3 H 1.87 0.02 2 1125 124 124 LYS HG2 H 1.56 0.02 2 1126 124 124 LYS HG3 H 1.56 0.02 2 1127 124 124 LYS HD2 H 1.76 0.02 2 1128 124 124 LYS HD3 H 1.76 0.02 2 1129 124 124 LYS HE2 H 3.04 0.02 2 1130 124 124 LYS HE3 H 3.04 0.02 2 1131 124 124 LYS CA C 58.11 0.20 1 1132 124 124 LYS CB C 32.44 0.20 1 1133 124 124 LYS CG C 25.61 0.20 1 1134 124 124 LYS CD C 28.97 0.20 1 1135 124 124 LYS CE C 41.91 0.20 1 1136 124 124 LYS N N 115.75 0.20 1 1137 125 125 LYS H H 7.67 0.02 1 1138 125 125 LYS HA H 4.27 0.02 1 1139 125 125 LYS HB2 H 1.90 0.02 2 1140 125 125 LYS HB3 H 2.04 0.02 2 1141 125 125 LYS HG2 H 1.61 0.02 2 1142 125 125 LYS HG3 H 1.38 0.02 2 1143 125 125 LYS HD2 H 1.75 0.02 2 1144 125 125 LYS HD3 H 1.75 0.02 2 1145 125 125 LYS HE2 H 3.01 0.02 2 1146 125 125 LYS HE3 H 3.01 0.02 2 1147 125 125 LYS CA C 55.66 0.20 1 1148 125 125 LYS CB C 32.99 0.20 1 1149 125 125 LYS CG C 25.68 0.20 1 1150 125 125 LYS CD C 28.55 0.20 1 1151 125 125 LYS CE C 42.04 0.20 1 1152 125 125 LYS N N 115.75 0.20 1 1153 126 126 LYS H H 7.57 0.02 1 1154 126 126 LYS HA H 4.32 0.02 1 1155 126 126 LYS HB2 H 1.96 0.02 2 1156 126 126 LYS HB3 H 1.96 0.02 2 1157 126 126 LYS HG2 H 1.41 0.02 2 1158 126 126 LYS HG3 H 1.41 0.02 2 1159 126 126 LYS HD2 H 1.71 0.02 2 1160 126 126 LYS HD3 H 1.71 0.02 2 1161 126 126 LYS HE2 H 2.99 0.02 2 1162 126 126 LYS HE3 H 2.99 0.02 2 1163 126 126 LYS CA C 56.87 0.20 1 1164 126 126 LYS CB C 29.53 0.20 1 1165 126 126 LYS CG C 24.81 0.20 1 1166 126 126 LYS CD C 29.15 0.20 1 1167 126 126 LYS CE C 42.08 0.20 1 1168 126 126 LYS N N 113.53 0.20 1 1169 127 127 ILE H H 8.93 0.02 1 1170 127 127 ILE HA H 3.64 0.02 1 1171 127 127 ILE HB H 2.05 0.02 1 1172 127 127 ILE HG12 H 1.53 0.02 2 1173 127 127 ILE HG13 H 1.27 0.02 2 1174 127 127 ILE HG2 H 0.77 0.02 1 1175 127 127 ILE HD1 H 0.84 0.02 1 1176 127 127 ILE CA C 64.13 0.20 1 1177 127 127 ILE CB C 36.40 0.20 1 1178 127 127 ILE CG1 C 28.42 0.20 1 1179 127 127 ILE CG2 C 18.28 0.20 1 1180 127 127 ILE CD1 C 11.71 0.20 1 1181 127 127 ILE N N 120.14 0.20 1 1182 128 128 TRP H H 7.75 0.02 1 1183 128 128 TRP HA H 4.57 0.02 1 1184 128 128 TRP HB2 H 3.17 0.02 2 1185 128 128 TRP HB3 H 3.17 0.02 2 1186 128 128 TRP HD1 H 7.03 0.02 1 1187 128 128 TRP HE1 H 10.13 0.02 1 1188 128 128 TRP HZ2 H 7.42 0.02 1 1189 128 128 TRP CA C 59.88 0.20 1 1190 128 128 TRP CB C 30.07 0.20 1 1191 128 128 TRP N N 118.98 0.20 1 1192 128 128 TRP NE1 N 128.28 0.20 1 1193 129 129 GLU H H 9.79 0.02 1 1194 129 129 GLU HA H 3.52 0.02 1 1195 129 129 GLU HB2 H 1.84 0.02 2 1196 129 129 GLU HB3 H 1.84 0.02 2 1197 129 129 GLU HG2 H 2.64 0.02 2 1198 129 129 GLU HG3 H 2.26 0.02 2 1199 129 129 GLU CA C 60.85 0.20 1 1200 129 129 GLU CB C 28.18 0.20 1 1201 129 129 GLU CG C 38.19 0.20 1 1202 129 129 GLU N N 117.50 0.20 1 1203 130 130 GLN H H 7.51 0.02 1 1204 130 130 GLN HA H 4.15 0.02 1 1205 130 130 GLN HB2 H 2.16 0.02 2 1206 130 130 GLN HB3 H 2.16 0.02 2 1207 130 130 GLN HG2 H 2.83 0.02 2 1208 130 130 GLN HG3 H 2.20 0.02 2 1209 130 130 GLN CA C 57.68 0.20 1 1210 130 130 GLN CB C 31.10 0.20 1 1211 130 130 GLN CG C 35.84 0.20 1 1212 130 130 GLN N N 115.35 0.20 1 1213 131 131 ILE H H 7.67 0.02 1 1214 131 131 ILE HA H 4.17 0.02 1 1215 131 131 ILE HB H 1.76 0.02 1 1216 131 131 ILE HG12 H 1.41 0.02 2 1217 131 131 ILE HG13 H 0.85 0.02 2 1218 131 131 ILE HG2 H 0.75 0.02 1 1219 131 131 ILE HD1 H 0.51 0.02 1 1220 131 131 ILE CA C 62.55 0.20 1 1221 131 131 ILE CB C 39.18 0.20 1 1222 131 131 ILE CG1 C 29.32 0.20 1 1223 131 131 ILE CG2 C 18.32 0.20 1 1224 131 131 ILE CD1 C 14.45 0.20 1 1225 131 131 ILE N N 122.00 0.20 1 1226 132 132 GLN H H 8.04 0.02 1 1227 132 132 GLN HA H 3.52 0.02 1 1228 132 132 GLN HB2 H 1.52 0.02 2 1229 132 132 GLN HB3 H 1.52 0.02 2 1230 132 132 GLN HG2 H 2.28 0.02 2 1231 132 132 GLN HG3 H 1.84 0.02 2 1232 132 132 GLN CA C 61.00 0.20 1 1233 132 132 GLN CB C 24.66 0.20 1 1234 132 132 GLN CG C 33.84 0.20 1 1235 132 132 GLN N N 119.33 0.20 1 1236 133 133 PRO HA H 4.22 0.02 1 1237 133 133 PRO HB2 H 2.35 0.02 2 1238 133 133 PRO HB3 H 1.63 0.02 2 1239 133 133 PRO HG2 H 1.87 0.02 2 1240 133 133 PRO HG3 H 1.87 0.02 2 1241 133 133 PRO HD2 H 3.44 0.02 2 1242 133 133 PRO HD3 H 3.02 0.02 2 1243 133 133 PRO CA C 65.74 0.20 1 1244 133 133 PRO CB C 31.37 0.20 1 1245 133 133 PRO CG C 27.99 0.20 1 1246 133 133 PRO CD C 50.71 0.20 1 1247 134 134 ASP H H 7.84 0.02 1 1248 134 134 ASP HA H 4.93 0.02 1 1249 134 134 ASP HB2 H 2.62 0.02 2 1250 134 134 ASP HB3 H 2.62 0.02 2 1251 134 134 ASP CA C 54.57 0.20 1 1252 134 134 ASP CB C 43.41 0.20 1 1253 134 134 ASP N N 114.34 0.20 1 1254 135 135 LEU H H 7.99 0.02 1 1255 135 135 LEU HA H 5.50 0.02 1 1256 135 135 LEU HB2 H 2.43 0.02 2 1257 135 135 LEU HB3 H 1.49 0.02 2 1258 135 135 LEU HG H 1.11 0.02 1 1259 135 135 LEU HD1 H 2.01 0.02 1 1260 135 135 LEU HD2 H 1.12 0.02 1 1261 135 135 LEU CA C 53.33 0.20 1 1262 135 135 LEU CB C 43.75 0.20 1 1263 135 135 LEU CG C 27.42 0.20 1 1264 135 135 LEU CD1 C 25.59 0.20 1 1265 135 135 LEU CD2 C 24.79 0.20 1 1266 135 135 LEU N N 121.68 0.20 1 1267 136 136 HIS H H 8.62 0.02 1 1268 136 136 HIS HA H 5.58 0.02 1 1269 136 136 HIS HB2 H 3.41 0.02 2 1270 136 136 HIS HB3 H 2.88 0.02 2 1271 136 136 HIS CA C 55.02 0.20 1 1272 136 136 HIS CB C 31.26 0.20 1 1273 136 136 HIS N N 119.73 0.20 1 1274 137 137 THR H H 10.18 0.02 1 1275 137 137 THR HA H 5.58 0.02 1 1276 137 137 THR HB H 3.99 0.02 1 1277 137 137 THR HG2 H 0.98 0.02 1 1278 137 137 THR CA C 59.08 0.20 1 1279 137 137 THR CB C 70.85 0.20 1 1280 137 137 THR CG2 C 22.99 0.20 1 1281 137 137 THR N N 115.55 0.20 1 1282 138 138 ASN H H 8.60 0.02 1 1283 138 138 ASN HA H 5.25 0.02 1 1284 138 138 ASN HB2 H 2.84 0.02 2 1285 138 138 ASN HB3 H 2.84 0.02 2 1286 138 138 ASN CA C 50.55 0.20 1 1287 138 138 ASN CB C 38.99 0.20 1 1288 138 138 ASN N N 121.33 0.20 1 1289 139 139 ASP HA H 4.38 0.02 1 1290 139 139 ASP HB2 H 2.76 0.02 2 1291 139 139 ASP HB3 H 2.76 0.02 2 1292 139 139 ASP CA C 57.46 0.20 1 1293 139 139 ASP CB C 41.10 0.20 1 1294 140 140 GLU H H 7.67 0.02 1 1295 140 140 GLU HA H 4.55 0.02 1 1296 140 140 GLU HB2 H 2.31 0.02 2 1297 140 140 GLU HB3 H 1.98 0.02 2 1298 140 140 GLU HG2 H 2.24 0.02 2 1299 140 140 GLU HG3 H 2.24 0.02 2 1300 140 140 GLU CA C 55.23 0.20 1 1301 140 140 GLU CB C 29.74 0.20 1 1302 140 140 GLU CG C 36.59 0.20 1 1303 140 140 GLU N N 116.35 0.20 1 1304 141 141 CYS H H 7.75 0.02 1 1305 141 141 CYS HA H 3.58 0.02 1 1306 141 141 CYS HB2 H 3.53 0.02 2 1307 141 141 CYS HB3 H 2.72 0.02 2 1308 141 141 CYS CA C 61.64 0.20 1 1309 141 141 CYS CB C 26.12 0.20 1 1310 141 141 CYS N N 107.42 0.20 1 1311 142 142 VAL H H 7.85 0.02 1 1312 142 142 VAL HA H 3.88 0.02 1 1313 142 142 VAL HB H 1.97 0.02 1 1314 142 142 VAL HG1 H 0.95 0.02 1 1315 142 142 VAL HG2 H 1.09 0.02 1 1316 142 142 VAL CA C 63.05 0.20 1 1317 142 142 VAL CB C 32.41 0.20 1 1318 142 142 VAL CG1 C 22.80 0.20 1 1319 142 142 VAL CG2 C 20.68 0.20 1 1320 142 142 VAL N N 123.05 0.20 1 1321 143 143 ALA H H 8.38 0.02 1 1322 143 143 ALA HA H 3.67 0.02 1 1323 143 143 ALA HB H 0.17 0.02 1 1324 143 143 ALA CA C 52.76 0.20 1 1325 143 143 ALA CB C 18.85 0.20 1 1326 143 143 ALA N N 129.27 0.20 1 1327 144 144 THR H H 7.97 0.02 1 1328 144 144 THR HA H 5.68 0.02 1 1329 144 144 THR HB H 3.54 0.02 1 1330 144 144 THR HG2 H 1.00 0.02 1 1331 144 144 THR CA C 60.64 0.20 1 1332 144 144 THR CB C 72.48 0.20 1 1333 144 144 THR CG2 C 21.11 0.20 1 1334 144 144 THR N N 114.39 0.20 1 1335 145 145 TYR H H 9.06 0.02 1 1336 145 145 TYR HA H 5.17 0.02 1 1337 145 145 TYR HB2 H 2.40 0.02 2 1338 145 145 TYR HB3 H 2.40 0.02 2 1339 145 145 TYR CA C 56.38 0.20 1 1340 145 145 TYR CB C 41.02 0.20 1 1341 145 145 TYR N N 119.51 0.20 1 1342 146 146 LYS H H 8.68 0.02 1 1343 146 146 LYS HA H 3.95 0.02 1 1344 146 146 LYS HB2 H 1.90 0.02 2 1345 146 146 LYS HB3 H 1.63 0.02 2 1346 146 146 LYS HG2 H 0.80 0.02 2 1347 146 146 LYS HG3 H -0.04 0.02 2 1348 146 146 LYS HD2 H 1.42 0.02 2 1349 146 146 LYS HD3 H 1.42 0.02 2 1350 146 146 LYS HE2 H 2.79 0.02 2 1351 146 146 LYS HE3 H 2.79 0.02 2 1352 146 146 LYS CA C 58.03 0.20 1 1353 146 146 LYS CB C 30.13 0.20 1 1354 146 146 LYS CG C 25.83 0.20 1 1355 146 146 LYS CD C 29.96 0.20 1 1356 146 146 LYS CE C 41.76 0.20 1 1357 146 146 LYS N N 120.97 0.20 1 1358 147 147 GLY H H 7.47 0.02 1 1359 147 147 GLY HA2 H 4.44 0.02 2 1360 147 147 GLY HA3 H 3.60 0.02 2 1361 147 147 GLY CA C 45.45 0.20 1 1362 147 147 GLY N N 102.22 0.20 1 1363 148 148 VAL H H 8.59 0.02 1 1364 148 148 VAL HA H 4.65 0.02 1 1365 148 148 VAL HB H 3.02 0.02 1 1366 148 148 VAL HG1 H 1.57 0.02 1 1367 148 148 VAL HG2 H 1.36 0.02 1 1368 148 148 VAL CA C 60.47 0.20 1 1369 148 148 VAL CB C 32.38 0.20 1 1370 148 148 VAL CG1 C 22.79 0.20 1 1371 148 148 VAL CG2 C 21.75 0.20 1 1372 148 148 VAL N N 125.81 0.20 1 1373 149 149 PRO HA H 4.90 0.02 1 1374 149 149 PRO HB2 H 2.16 0.02 2 1375 149 149 PRO HB3 H 1.85 0.02 2 1376 149 149 PRO HG2 H 1.86 0.02 2 1377 149 149 PRO HG3 H 1.86 0.02 2 1378 149 149 PRO HD2 H 3.92 0.02 2 1379 149 149 PRO HD3 H 4.34 0.02 2 1380 149 149 PRO CA C 63.57 0.20 1 1381 149 149 PRO CB C 33.37 0.20 1 1382 149 149 PRO CG C 27.66 0.20 1 1383 149 149 PRO CD C 51.68 0.20 1 1384 150 150 PHE H H 8.74 0.02 1 1385 150 150 PHE HA H 3.72 0.02 1 1386 150 150 PHE HB2 H 3.27 0.02 2 1387 150 150 PHE HB3 H 2.88 0.02 2 1388 150 150 PHE CA C 55.93 0.20 1 1389 150 150 PHE CB C 39.28 0.20 1 1390 150 150 PHE N N 121.51 0.20 1 1391 151 151 GLU H H 7.81 0.02 1 1392 151 151 GLU HA H 4.97 0.02 1 1393 151 151 GLU HB2 H 1.93 0.02 2 1394 151 151 GLU HB3 H 1.71 0.02 2 1395 151 151 GLU HG2 H 1.88 0.02 2 1396 151 151 GLU HG3 H 2.06 0.02 2 1397 151 151 GLU CA C 55.13 0.20 1 1398 151 151 GLU CB C 33.82 0.20 1 1399 151 151 GLU CG C 36.66 0.20 1 1400 151 151 GLU N N 126.59 0.20 1 1401 152 152 VAL H H 8.41 0.02 1 1402 152 152 VAL HA H 4.41 0.02 1 1403 152 152 VAL HB H 1.85 0.02 1 1404 152 152 VAL HG1 H 0.89 0.02 1 1405 152 152 VAL HG2 H 0.70 0.02 1 1406 152 152 VAL CA C 61.17 0.20 1 1407 152 152 VAL CB C 31.78 0.20 1 1408 152 152 VAL CG1 C 21.08 0.20 1 1409 152 152 VAL CG2 C 21.05 0.20 1 1410 152 152 VAL N N 122.56 0.20 1 1411 153 153 LYS H H 9.31 0.02 1 1412 153 153 LYS HA H 3.92 0.02 1 1413 153 153 LYS HB2 H 1.74 0.02 2 1414 153 153 LYS HB3 H 1.74 0.02 2 1415 153 153 LYS HG2 H 1.42 0.02 2 1416 153 153 LYS HG3 H 1.42 0.02 2 1417 153 153 LYS HD2 H 1.67 0.02 2 1418 153 153 LYS HD3 H 1.67 0.02 2 1419 153 153 LYS HE2 H 2.96 0.02 2 1420 153 153 LYS HE3 H 2.96 0.02 2 1421 153 153 LYS CA C 58.73 0.20 1 1422 153 153 LYS CB C 31.40 0.20 1 1423 153 153 LYS CG C 24.36 0.20 1 1424 153 153 LYS CD C 28.59 0.20 1 1425 153 153 LYS CE C 41.48 0.20 1 1426 153 153 LYS N N 130.06 0.20 1 1427 154 154 GLY HA2 H 4.28 0.02 2 1428 154 154 GLY HA3 H 3.69 0.02 2 1429 154 154 GLY CA C 45.11 0.20 1 1430 155 155 LYS H H 8.55 0.02 1 1431 155 155 LYS N N 118.51 0.20 1 1432 156 156 GLY H H 8.08 0.02 1 1433 156 156 GLY HA2 H 3.97 0.02 2 1434 156 156 GLY HA3 H 4.78 0.02 2 1435 156 156 GLY CA C 44.92 0.20 1 1436 156 156 GLY N N 105.85 0.20 1 1437 157 157 VAL H H 8.26 0.02 1 1438 157 157 VAL HA H 5.47 0.02 1 1439 157 157 VAL HB H 2.35 0.02 1 1440 157 157 VAL HG1 H 0.96 0.02 1 1441 157 157 VAL HG2 H 0.88 0.02 1 1442 157 157 VAL CA C 59.25 0.20 1 1443 157 157 VAL CB C 33.85 0.20 1 1444 157 157 VAL CG1 C 21.55 0.20 1 1445 157 157 VAL CG2 C 18.17 0.20 1 1446 157 157 VAL N N 111.19 0.20 1 1447 158 158 CYS H H 7.60 0.02 1 1448 158 158 CYS HA H 5.09 0.02 1 1449 158 158 CYS HB2 H 2.67 0.02 2 1450 158 158 CYS HB3 H 2.37 0.02 2 1451 158 158 CYS CA C 57.40 0.20 1 1452 158 158 CYS CB C 29.84 0.20 1 1453 158 158 CYS N N 117.11 0.20 1 1454 159 159 ARG H H 8.53 0.02 1 1455 159 159 ARG HA H 5.21 0.02 1 1456 159 159 ARG HB2 H 1.81 0.02 2 1457 159 159 ARG HB3 H 1.81 0.02 2 1458 159 159 ARG HG2 H 1.64 0.02 2 1459 159 159 ARG HG3 H 1.45 0.02 2 1460 159 159 ARG HD2 H 3.25 0.02 2 1461 159 159 ARG HD3 H 3.12 0.02 2 1462 159 159 ARG CA C 55.61 0.20 1 1463 159 159 ARG CB C 35.22 0.20 1 1464 159 159 ARG CG C 26.16 0.20 1 1465 159 159 ARG CD C 43.45 0.20 1 1466 159 159 ARG N N 117.74 0.20 1 1467 160 160 ALA H H 8.84 0.02 1 1468 160 160 ALA HA H 4.59 0.02 1 1469 160 160 ALA HB H 1.60 0.02 1 1470 160 160 ALA CA C 50.35 0.20 1 1471 160 160 ALA CB C 19.06 0.20 1 1472 160 160 ALA N N 123.59 0.20 1 1473 161 161 GLN H H 7.76 0.02 1 1474 161 161 GLN HA H 4.33 0.02 1 1475 161 161 GLN HB2 H 2.17 0.02 2 1476 161 161 GLN HB3 H 2.12 0.02 2 1477 161 161 GLN HG2 H 2.44 0.02 2 1478 161 161 GLN HG3 H 2.39 0.02 2 1479 161 161 GLN CA C 60.40 0.20 1 1480 161 161 GLN CB C 29.63 0.20 1 1481 161 161 GLN CG C 35.22 0.20 1 1482 161 161 GLN N N 119.92 0.20 1 1483 162 162 THR H H 10.62 0.02 1 1484 162 162 THR HA H 4.66 0.02 1 1485 162 162 THR HB H 4.19 0.02 1 1486 162 162 THR HG2 H 1.15 0.02 1 1487 162 162 THR CA C 62.38 0.20 1 1488 162 162 THR CB C 71.88 0.20 1 1489 162 162 THR CG2 C 21.48 0.20 1 1490 162 162 THR N N 110.41 0.20 1 1491 163 163 MET H H 7.23 0.02 1 1492 163 163 MET HA H 4.21 0.02 1 1493 163 163 MET HB2 H 2.05 0.02 2 1494 163 163 MET HB3 H 2.20 0.02 2 1495 163 163 MET HG2 H 2.41 0.02 2 1496 163 163 MET HG3 H 2.41 0.02 2 1497 163 163 MET HE H 1.57 0.02 1 1498 163 163 MET CA C 56.70 0.20 1 1499 163 163 MET CB C 32.63 0.20 1 1500 163 163 MET N N 123.70 0.20 1 1501 164 164 SER H H 8.06 0.02 1 1502 164 164 SER HA H 4.34 0.02 1 1503 164 164 SER HB2 H 3.99 0.02 2 1504 164 164 SER HB3 H 3.99 0.02 2 1505 164 164 SER CA C 56.04 0.20 1 1506 164 164 SER CB C 65.01 0.20 1 1507 164 164 SER N N 122.43 0.20 1 1508 165 165 ASN H H 7.40 0.02 1 1509 165 165 ASN HA H 4.80 0.02 1 1510 165 165 ASN HB2 H 2.83 0.02 2 1511 165 165 ASN HB3 H 2.83 0.02 2 1512 165 165 ASN HD21 H 7.64 0.02 2 1513 165 165 ASN HD22 H 7.64 0.02 2 1514 165 165 ASN CA C 54.71 0.20 1 1515 165 165 ASN CB C 38.31 0.20 1 1516 165 165 ASN N N 121.03 0.20 1 1517 166 166 SER H H 8.19 0.02 1 1518 166 166 SER HA H 4.95 0.02 1 1519 166 166 SER HB2 H 3.69 0.02 2 1520 166 166 SER HB3 H 3.38 0.02 2 1521 166 166 SER CA C 57.40 0.20 1 1522 166 166 SER CB C 66.03 0.20 1 1523 166 166 SER N N 111.27 0.20 1 1524 167 167 GLY H H 8.78 0.02 1 1525 167 167 GLY HA2 H 4.37 0.02 2 1526 167 167 GLY HA3 H 3.87 0.02 2 1527 167 167 GLY CA C 45.75 0.20 1 1528 167 167 GLY N N 111.19 0.20 1 1529 168 168 ILE H H 7.68 0.02 1 1530 168 168 ILE HA H 5.23 0.02 1 1531 168 168 ILE HB H 1.58 0.02 1 1532 168 168 ILE HG12 H 0.78 0.02 2 1533 168 168 ILE HG13 H 1.72 0.02 2 1534 168 168 ILE HG2 H 0.98 0.02 1 1535 168 168 ILE HD1 H 0.62 0.02 1 1536 168 168 ILE CA C 59.65 0.20 1 1537 168 168 ILE CB C 41.40 0.20 1 1538 168 168 ILE CG1 C 27.93 0.20 1 1539 168 168 ILE CG2 C 17.18 0.20 1 1540 168 168 ILE CD1 C 14.95 0.20 1 1541 168 168 ILE N N 122.00 0.20 1 1542 169 169 LYS H H 8.85 0.02 1 1543 169 169 LYS HA H 4.45 0.02 1 1544 169 169 LYS HB2 H 2.00 0.02 2 1545 169 169 LYS HB3 H 2.05 0.02 2 1546 169 169 LYS HG2 H 1.31 0.02 2 1547 169 169 LYS HG3 H 1.31 0.02 2 1548 169 169 LYS HD2 H 1.61 0.02 2 1549 169 169 LYS HD3 H 1.61 0.02 2 1550 169 169 LYS HE2 H 2.93 0.02 2 1551 169 169 LYS HE3 H 2.93 0.02 2 1552 169 169 LYS CA C 57.40 0.20 1 1553 169 169 LYS CB C 34.03 0.20 1 1554 169 169 LYS CG C 23.89 0.20 1 1555 169 169 LYS CD C 29.63 0.20 1 1556 169 169 LYS CE C 41.81 0.20 1 1557 169 169 LYS N N 128.74 0.20 1 stop_ save_