data_5689 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone assignments of the pheromone binding protein from the silk moth Antheraea polyphemus (ApolPBP) ; _BMRB_accession_number 5689 _BMRB_flat_file_name bmr5689.str _Entry_type original _Submission_date 2003-02-07 _Accession_date 2003-02-07 _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 Mohanty Smita . . 2 Zubkov Sergey . . 3 Campos-Olivas Ramon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 779 "13C chemical shifts" 548 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-10-08 original author 'original release' 2005-10-17 update author 'update the chemical shift table' stop_ loop_ _Related_BMRB_accession_number _Relationship 4849 'Pheromone-binding protein from Bombyx mori' stop_ _Original_release_date 2003-02-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N Backbone Assignments of the Pheromone Binding Protein from the Silk Moth Antheraea polyphemus (ApolPBP) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22874487 _PubMed_ID 14512737 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mohanty Smita . . 2 Zubkov Sergey . . 3 Campos-Olivas Ramon . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 393 _Page_last 394 _Year 2003 _Details . loop_ _Keyword 'Antheraea polyphemus' PBP 'pheromone-binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_ApolPBP _Saveframe_category molecular_system _Mol_system_name 'Pheromone Binding Protein from Antheraea polyphemus' _Abbreviation_common ApolPBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ApolPBP $ApolPBP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ApolPBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pheromone-binding protein from Antheraea polyphemus' _Abbreviation_common ApolPBP _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; SPEIMKNLSNNFGKAMDQCK DELSLPDSVVADLYNFWKDD YVMTDRLAGCAINCLATKLD VVDPDGNLHHGNAKDFAMKH GADETMAQQLVDIIHGCEKS APPNDDKCMKTIDVAMCFKK EIHKLNWVPNMDLVIGEVLA EV ; loop_ _Residue_seq_code _Residue_label 1 SER 2 PRO 3 GLU 4 ILE 5 MET 6 LYS 7 ASN 8 LEU 9 SER 10 ASN 11 ASN 12 PHE 13 GLY 14 LYS 15 ALA 16 MET 17 ASP 18 GLN 19 CYS 20 LYS 21 ASP 22 GLU 23 LEU 24 SER 25 LEU 26 PRO 27 ASP 28 SER 29 VAL 30 VAL 31 ALA 32 ASP 33 LEU 34 TYR 35 ASN 36 PHE 37 TRP 38 LYS 39 ASP 40 ASP 41 TYR 42 VAL 43 MET 44 THR 45 ASP 46 ARG 47 LEU 48 ALA 49 GLY 50 CYS 51 ALA 52 ILE 53 ASN 54 CYS 55 LEU 56 ALA 57 THR 58 LYS 59 LEU 60 ASP 61 VAL 62 VAL 63 ASP 64 PRO 65 ASP 66 GLY 67 ASN 68 LEU 69 HIS 70 HIS 71 GLY 72 ASN 73 ALA 74 LYS 75 ASP 76 PHE 77 ALA 78 MET 79 LYS 80 HIS 81 GLY 82 ALA 83 ASP 84 GLU 85 THR 86 MET 87 ALA 88 GLN 89 GLN 90 LEU 91 VAL 92 ASP 93 ILE 94 ILE 95 HIS 96 GLY 97 CYS 98 GLU 99 LYS 100 SER 101 ALA 102 PRO 103 PRO 104 ASN 105 ASP 106 ASP 107 LYS 108 CYS 109 MET 110 LYS 111 THR 112 ILE 113 ASP 114 VAL 115 ALA 116 MET 117 CYS 118 PHE 119 LYS 120 LYS 121 GLU 122 ILE 123 HIS 124 LYS 125 LEU 126 ASN 127 TRP 128 VAL 129 PRO 130 ASN 131 MET 132 ASP 133 LEU 134 VAL 135 ILE 136 GLY 137 GLU 138 VAL 139 LEU 140 ALA 141 GLU 142 VAL stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15256 entity 100.00 142 100.00 100.00 6.76e-78 PDB 1QWV 'Solution Structure Of Antheraea Polyphemus Pheromone Binding Protein (Apolpbp)' 100.00 142 100.00 100.00 6.76e-78 PDB 1TWO 'Nmr Structure Of The Pheromone Binding Protein From Antheraea Polyphemus At Acidic Ph' 100.00 142 100.00 100.00 6.76e-78 PDB 2JPO 'Nmr Structure Of Antheraea Polyphemus Pheromone-Binding Protein 1 At Ph 4.5' 100.00 142 100.00 100.00 6.76e-78 EMBL CAA35592 'pheromone binding protein [Antheraea polyphemus]' 100.00 163 100.00 100.00 2.34e-78 GenBank AAB49502 'Aper-1=pheromone binding protein/PBP/Apol-3 homolog [Antheraea pernyi, Peptide, 142 aa]' 100.00 142 100.00 100.00 6.76e-78 PRF 1515253A 'pheromone binding protein' 100.00 163 100.00 100.00 2.34e-78 SWISS-PROT P20797 'Pheromone-binding protein precursor (PBP)' 100.00 163 100.00 100.00 2.34e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $ApolPBP 'Polyphemus moth' 7120 Eukaryota Metazoa Antheraea polyphemus 'antennal hair' 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 $ApolPBP 'recombinant technology' 'Escherichia coli' Escherichia coli XA-90 pHN1+ 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 $ApolPBP 1.0 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 _Details ; F. Delaglio, S. Grzesiek, G. Vuister, G. Zhu, J. Pfeifer, and A. Bax J. Biomol. NMR, 6 (1995) 277-293. ; save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 _Details ; B. A. Johnson and R. A. Blevins, J. Biomol. NMR 4:603-614. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label . save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_CC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label . save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label . save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_1H-15N-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-1H NOESY' _Sample_label . save_ save_3D_1H-13C-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_backbone_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.33 0.02 n/a temperature 308 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_backbone_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HMQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D CC(CO)NH' '3D HCACO' '3D HNCACB' '3D 1H-15N-1H NOESY' '3D 1H-13C-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $backbone_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ApolPBP _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 SER HA H 4.330 0.05 1 2 . 2 PRO CA C 65.281 0.2 1 3 . 2 PRO HA H 3.991 0.05 1 4 . 2 PRO CB C 31.586 0.2 1 5 . 2 PRO HB2 H 2.238 0.05 1 6 . 2 PRO HB3 H 2.238 0.05 1 7 . 2 PRO HG2 H 1.779 0.05 1 8 . 2 PRO HG3 H 1.779 0.05 1 9 . 2 PRO CD C 50.895 0.2 1 10 . 2 PRO HD2 H 3.791 0.05 1 11 . 2 PRO HD3 H 3.791 0.05 1 12 . 2 PRO C C 177.135 0.2 1 13 . 3 GLU N N 117.362 0.1 1 14 . 3 GLU H H 7.821 0.05 1 15 . 3 GLU CA C 59.510 0.2 1 16 . 3 GLU HA H 4.001 0.05 1 17 . 3 GLU CB C 29.316 0.2 1 18 . 3 GLU CG C 36.633 0.2 1 19 . 3 GLU HG2 H 2.307 0.05 1 20 . 3 GLU HG3 H 2.307 0.05 1 21 . 3 GLU C C 179.051 0.2 1 22 . 4 ILE N N 121.025 0.05 1 23 . 4 ILE H H 7.576 0.01 1 24 . 4 ILE CA C 64.324 0.05 1 25 . 4 ILE HA H 3.868 0.01 1 26 . 4 ILE CB C 37.629 0.05 1 27 . 4 ILE HB H 1.704 0.01 1 28 . 4 ILE CG1 C 28.474 0.05 1 29 . 4 ILE HG12 H 1.081 0.01 1 30 . 4 ILE HG13 H 1.081 0.01 1 31 . 4 ILE HD1 H 0.754 0.01 1 32 . 4 ILE HG2 H 0.754 0.01 1 33 . 4 ILE C C 178.450 0.05 1 34 . 5 MET N N 117.588 0.1 1 35 . 5 MET H H 7.972 0.05 1 36 . 5 MET CA C 58.054 0.2 1 37 . 5 MET HA H 4.005 0.05 1 38 . 5 MET CB C 32.082 0.2 1 39 . 5 MET HB2 H 2.110 0.05 1 40 . 5 MET HB3 H 2.110 0.05 1 41 . 5 MET HG2 H 2.265 0.05 1 42 . 5 MET HG3 H 2.265 0.05 1 43 . 5 MET HE H 1.616 0.05 1 44 . 5 MET C C 179.400 0.2 1 45 . 6 LYS N N 116.718 0.1 1 46 . 6 LYS H H 7.885 0.05 1 47 . 6 LYS CA C 56.697 0.2 1 48 . 6 LYS CB C 29.719 0.2 1 49 . 6 LYS HG2 H 1.361 0.05 1 50 . 6 LYS HG3 H 1.361 0.05 1 51 . 6 LYS C C 175.100 0.2 1 52 . 7 ASN N N 117.406 0.1 1 53 . 7 ASN H H 7.767 0.05 1 54 . 7 ASN CA C 53.329 0.2 1 55 . 7 ASN CB C 39.155 0.2 1 56 . 7 ASN C C 173.644 0.2 1 57 . 8 LEU N N 118.599 0.1 1 58 . 8 LEU H H 7.085 0.05 1 59 . 8 LEU CA C 61.045 0.2 1 60 . 8 LEU CB C 40.788 0.2 1 61 . 8 LEU HD1 H 0.916 0.05 2 62 . 8 LEU HD2 H 0.698 0.05 2 63 . 10 ASN CA C 55.640 0.2 1 64 . 10 ASN HA H 4.500 0.05 1 65 . 10 ASN CB C 38.828 0.2 1 66 . 10 ASN CG C 176.035 0.2 1 67 . 10 ASN ND2 N 113.786 0.1 1 68 . 10 ASN HD21 H 7.727 0.05 2 69 . 10 ASN HD22 H 7.302 0.05 2 70 . 10 ASN C C 175.356 0.2 1 71 . 11 ASN N N 115.896 0.1 1 72 . 11 ASN H H 7.877 0.05 1 73 . 11 ASN CA C 57.249 0.2 1 74 . 11 ASN HA H 4.421 0.05 1 75 . 11 ASN CB C 39.050 0.2 1 76 . 11 ASN HB2 H 3.138 0.05 2 77 . 11 ASN HB3 H 3.045 0.05 2 78 . 11 ASN ND2 N 114.821 0.2 1 79 . 11 ASN HD21 H 6.946 0.05 2 80 . 11 ASN HD22 H 7.775 0.05 2 81 . 11 ASN C C 176.935 0.2 1 82 . 12 PHE N N 123.879 0.05 1 83 . 12 PHE H H 8.839 0.01 1 84 . 12 PHE CA C 60.832 0.05 1 85 . 12 PHE HA H 4.187 0.01 1 86 . 12 PHE CB C 39.818 0.05 1 87 . 12 PHE HB2 H 3.321 0.01 2 88 . 12 PHE HB3 H 3.170 0.01 2 89 . 12 PHE HD1 H 6.754 0.01 1 90 . 12 PHE HE1 H 6.754 0.01 1 91 . 12 PHE HZ H 7.163 0.01 1 92 . 12 PHE HE2 H 6.754 0.01 1 93 . 12 PHE HD2 H 6.754 0.01 1 94 . 12 PHE C C 175.787 0.05 1 95 . 13 GLY N N 100.280 0.05 1 96 . 13 GLY H H 7.651 0.01 1 97 . 13 GLY CA C 45.511 0.05 1 98 . 13 GLY HA2 H 3.874 0.01 2 99 . 13 GLY HA3 H 4.085 0.01 2 100 . 13 GLY C C 175.276 0.05 1 101 . 14 LYS N N 120.979 0.05 1 102 . 14 LYS H H 7.119 0.01 1 103 . 14 LYS CA C 59.723 0.05 1 104 . 14 LYS HA H 4.120 0.01 1 105 . 14 LYS CB C 32.474 0.05 1 106 . 14 LYS HB2 H 1.945 0.01 2 107 . 14 LYS HB3 H 2.083 0.01 2 108 . 14 LYS CG C 25.145 0.05 1 109 . 14 LYS CD C 29.096 0.05 1 110 . 14 LYS HD2 H 1.639 0.01 1 111 . 14 LYS HD3 H 1.639 0.01 1 112 . 14 LYS HE2 H 2.976 0.01 1 113 . 14 LYS HE3 H 2.976 0.01 1 114 . 14 LYS C C 177.362 0.05 1 115 . 15 ALA N N 118.305 0.05 1 116 . 15 ALA H H 7.579 0.01 1 117 . 15 ALA CA C 51.589 0.05 1 118 . 15 ALA HA H 4.788 0.01 1 119 . 15 ALA CB C 17.833 0.05 1 120 . 15 ALA HB H 1.363 0.01 1 121 . 15 ALA C C 176.810 0.05 1 122 . 16 MET N N 120.700 0.05 1 123 . 16 MET H H 7.643 0.01 1 124 . 16 MET CA C 58.965 0.05 1 125 . 16 MET HA H 3.984 0.01 1 126 . 16 MET CB C 32.593 0.05 1 127 . 16 MET HB2 H 2.165 0.03 1 128 . 16 MET HB3 H 2.165 0.03 1 129 . 16 MET HG2 H 2.165 0.03 1 130 . 16 MET HG3 H 2.165 0.03 1 131 . 16 MET C C 177.272 0.05 1 132 . 17 ASP N N 117.881 0.05 1 133 . 17 ASP H H 8.772 0.01 1 134 . 17 ASP CA C 57.680 0.05 1 135 . 17 ASP HA H 4.281 0.01 1 136 . 17 ASP CB C 39.608 0.05 1 137 . 17 ASP HB2 H 2.664 0.01 2 138 . 17 ASP HB3 H 2.684 0.01 2 139 . 17 ASP C C 178.467 0.05 1 140 . 18 GLN N N 119.604 0.05 1 141 . 18 GLN H H 7.686 0.01 1 142 . 18 GLN CA C 58.757 0.05 1 143 . 18 GLN HA H 4.240 0.01 1 144 . 18 GLN CB C 28.544 0.05 1 145 . 18 GLN HB2 H 2.115 0.01 2 146 . 18 GLN HB3 H 2.089 0.01 2 147 . 18 GLN CG C 33.387 0.05 1 148 . 18 GLN HG2 H 2.347 0.01 2 149 . 18 GLN HG3 H 2.456 0.01 2 150 . 18 GLN CD C 180.161 0.05 1 151 . 18 GLN NE2 N 111.313 0.05 1 152 . 18 GLN HE21 H 7.706 0.01 2 153 . 18 GLN HE22 H 6.810 0.01 2 154 . 18 GLN C C 178.804 0.05 1 155 . 19 CYS N N 117.520 0.05 1 156 . 19 CYS H H 8.213 0.01 1 157 . 19 CYS CA C 59.621 0.05 1 158 . 19 CYS HA H 4.235 0.01 1 159 . 19 CYS CB C 41.186 0.05 1 160 . 19 CYS HB2 H 2.582 0.01 2 161 . 19 CYS HB3 H 2.975 0.01 2 162 . 19 CYS C C 175.708 0.05 1 163 . 20 LYS N N 121.307 0.05 1 164 . 20 LYS H H 9.085 0.01 1 165 . 20 LYS CA C 60.403 0.05 1 166 . 20 LYS HA H 3.701 0.01 1 167 . 20 LYS CB C 32.132 0.05 1 168 . 20 LYS HB2 H 2.094 0.01 2 169 . 20 LYS HB3 H 1.868 0.01 2 170 . 20 LYS CG C 24.975 0.05 1 171 . 20 LYS HG2 H 1.203 0.01 1 172 . 20 LYS HG3 H 1.203 0.01 1 173 . 20 LYS CD C 29.715 0.05 1 174 . 20 LYS HD2 H 1.731 0.01 1 175 . 20 LYS HD3 H 1.731 0.01 1 176 . 20 LYS CE C 42.210 0.05 1 177 . 20 LYS HE2 H 3.002 0.01 1 178 . 20 LYS HE3 H 3.002 0.01 1 179 . 20 LYS C C 178.148 0.05 1 180 . 21 ASP N N 117.812 0.05 1 181 . 21 ASP H H 7.423 0.01 1 182 . 21 ASP CA C 57.082 0.05 1 183 . 21 ASP HA H 4.522 0.01 1 184 . 21 ASP CB C 41.054 0.05 1 185 . 21 ASP HB2 H 2.787 0.01 2 186 . 21 ASP HB3 H 2.810 0.01 2 187 . 21 ASP C C 175.679 0.05 1 188 . 22 GLU N N 119.524 0.05 1 189 . 22 GLU H H 8.537 0.01 1 190 . 22 GLU CA C 59.331 0.05 1 191 . 22 GLU HA H 3.994 0.01 1 192 . 22 GLU CB C 30.432 0.05 1 193 . 22 GLU HB2 H 2.098 0.01 2 194 . 22 GLU HB3 H 2.008 0.01 2 195 . 22 GLU CG C 36.555 0.05 1 196 . 22 GLU HG2 H 2.507 0.01 2 197 . 22 GLU HG3 H 2.246 0.01 2 198 . 22 GLU C C 178.790 0.05 1 199 . 23 LEU N N 115.378 0.05 1 200 . 23 LEU H H 7.987 0.01 1 201 . 23 LEU CA C 54.070 0.05 1 202 . 23 LEU HA H 4.420 0.01 1 203 . 23 LEU CB C 42.255 0.05 1 204 . 23 LEU HB2 H 1.592 0.01 1 205 . 23 LEU HB3 H 1.793 0.01 1 206 . 23 LEU CG C 26.062 0.05 1 207 . 23 LEU HG H 1.783 0.01 1 208 . 23 LEU CD1 C 23.087 0.05 1 209 . 23 LEU HD1 H 0.835 0.01 1 210 . 23 LEU CD2 C 23.087 0.05 1 211 . 23 LEU HD2 H 0.835 0.01 1 212 . 23 LEU C C 175.836 0.05 1 213 . 24 SER N N 115.353 0.05 1 214 . 24 SER H H 7.614 0.01 1 215 . 24 SER CA C 58.118 0.05 1 216 . 24 SER HA H 4.148 0.01 1 217 . 24 SER CB C 61.433 0.05 1 218 . 24 SER HB2 H 4.018 0.01 2 219 . 24 SER HB3 H 4.005 0.01 2 220 . 24 SER C C 175.500 0.05 1 221 . 25 LEU N N 117.635 0.05 1 222 . 25 LEU H H 8.211 0.01 1 223 . 25 LEU CA C 52.567 0.05 1 224 . 25 LEU HA H 4.377 0.01 1 225 . 25 LEU CB C 42.319 0.05 1 226 . 25 LEU HB2 H 1.201 0.01 2 227 . 25 LEU HB3 H 1.676 0.01 2 228 . 25 LEU HG H 1.570 0.01 1 229 . 25 LEU HD1 H 0.846 0.01 2 230 . 25 LEU HD2 H 0.667 0.01 2 231 . 25 LEU C C 174.981 0.05 1 232 . 26 PRO CA C 62.028 0.05 1 233 . 26 PRO HA H 4.613 0.01 1 234 . 26 PRO CB C 32.533 0.05 1 235 . 26 PRO HB2 H 2.539 0.01 2 236 . 26 PRO HB3 H 1.701 0.01 2 237 . 26 PRO CG C 27.556 0.05 1 238 . 26 PRO HG2 H 2.131 0.01 1 239 . 26 PRO HG3 H 2.131 0.01 1 240 . 26 PRO CD C 50.895 0.05 1 241 . 26 PRO HD2 H 4.191 0.01 2 242 . 26 PRO HD3 H 3.376 0.01 2 243 . 26 PRO C C 177.520 0.05 1 244 . 27 ASP N N 123.500 0.05 1 245 . 27 ASP H H 8.804 0.01 1 246 . 27 ASP CA C 57.771 0.05 1 247 . 27 ASP HA H 4.222 0.01 1 248 . 27 ASP CB C 40.145 0.05 1 249 . 27 ASP HB2 H 2.551 0.01 2 250 . 27 ASP HB3 H 2.645 0.01 2 251 . 27 ASP C C 178.618 0.05 1 252 . 28 SER N N 112.878 0.05 1 253 . 28 SER H H 8.532 0.01 1 254 . 28 SER CA C 60.857 0.05 1 255 . 28 SER HA H 4.125 0.01 1 256 . 28 SER CB C 61.932 0.05 1 257 . 28 SER HB2 H 3.898 0.01 2 258 . 28 SER HB3 H 3.984 0.01 2 259 . 28 SER C C 176.716 0.05 1 260 . 29 VAL N N 123.553 0.05 1 261 . 29 VAL H H 7.146 0.01 1 262 . 29 VAL CA C 64.862 0.05 1 263 . 29 VAL HA H 3.940 0.01 1 264 . 29 VAL CB C 31.927 0.05 1 265 . 29 VAL HB H 2.131 0.01 1 266 . 29 VAL CG2 C 23.444 0.05 2 267 . 29 VAL HG2 H 1.116 0.01 2 268 . 29 VAL CG1 C 20.559 0.05 2 269 . 29 VAL HG1 H 0.862 0.01 2 270 . 29 VAL C C 177.555 0.05 1 271 . 30 VAL N N 118.916 0.05 1 272 . 30 VAL H H 6.946 0.01 1 273 . 30 VAL CA C 66.694 0.05 1 274 . 30 VAL HA H 3.413 0.01 1 275 . 30 VAL CB C 31.819 0.05 1 276 . 30 VAL HB H 2.144 0.01 1 277 . 30 VAL HG2 H 1.074 0.01 2 278 . 30 VAL HG1 H 0.938 0.01 2 279 . 30 VAL CG1 C 22.507 0.05 1 280 . 30 VAL C C 176.600 0.05 1 281 . 31 ALA N N 117.291 0.05 1 282 . 31 ALA H H 8.020 0.01 1 283 . 31 ALA CA C 54.825 0.05 1 284 . 31 ALA HA H 4.089 0.01 1 285 . 31 ALA CB C 18.125 0.05 1 286 . 31 ALA HB H 1.439 0.01 1 287 . 31 ALA C C 180.909 0.05 1 288 . 32 ASP N N 116.135 0.05 1 289 . 32 ASP H H 7.511 0.01 1 290 . 32 ASP CA C 56.894 0.05 1 291 . 32 ASP HA H 4.562 0.01 1 292 . 32 ASP CB C 42.074 0.05 1 293 . 32 ASP HB2 H 2.902 0.01 2 294 . 32 ASP HB3 H 2.907 0.01 2 295 . 32 ASP C C 178.261 0.05 1 296 . 33 LEU N N 117.399 0.05 1 297 . 33 LEU H H 7.515 0.01 1 298 . 33 LEU CA C 58.321 0.05 1 299 . 33 LEU HA H 4.058 0.01 1 300 . 33 LEU CB C 39.234 0.05 1 301 . 33 LEU HB2 H 2.021 0.01 1 302 . 33 LEU HB3 H 2.021 0.01 1 303 . 33 LEU CG C 27.029 0.05 1 304 . 33 LEU HG H 1.439 0.01 1 305 . 33 LEU HD1 H 0.971 0.01 2 306 . 33 LEU HD2 H 0.879 0.01 2 307 . 33 LEU C C 177.160 0.05 1 308 . 34 TYR N N 123.139 0.05 1 309 . 34 TYR H H 8.502 0.01 1 310 . 34 TYR CA C 60.165 0.05 1 311 . 34 TYR HA H 4.277 0.01 1 312 . 34 TYR CB C 37.085 0.05 1 313 . 34 TYR HB2 H 3.391 0.01 1 314 . 34 TYR HB3 H 3.391 0.01 1 315 . 34 TYR HD1 H 6.811 0.01 1 316 . 34 TYR HD2 H 6.811 0.01 1 317 . 34 TYR HH H 6.811 0.01 1 318 . 34 TYR C C 176.956 0.05 1 319 . 35 ASN N N 117.987 0.05 1 320 . 35 ASN H H 7.869 0.01 1 321 . 35 ASN CA C 53.343 0.05 1 322 . 35 ASN HA H 4.764 0.01 1 323 . 35 ASN CB C 39.087 0.05 1 324 . 35 ASN HB2 H 2.363 0.01 1 325 . 35 ASN HB3 H 2.363 0.01 1 326 . 35 ASN ND2 N 114.463 0.05 1 327 . 35 ASN HD21 H 7.010 0.01 2 328 . 35 ASN HD22 H 7.394 0.01 2 329 . 35 ASN C C 173.669 0.05 1 330 . 36 PHE N N 118.595 0.05 1 331 . 36 PHE H H 7.092 0.01 1 332 . 36 PHE CA C 61.252 0.05 1 333 . 36 PHE HA H 4.701 0.01 1 334 . 36 PHE CB C 40.864 0.05 1 335 . 36 PHE HE1 H 7.010 0.01 1 336 . 36 PHE HE2 H 7.010 0.01 1 337 . 36 PHE C C 174.968 0.05 1 338 . 37 TRP N N 112.667 0.05 1 339 . 37 TRP H H 8.638 0.01 1 340 . 37 TRP CA C 56.682 0.05 1 341 . 37 TRP HA H 4.640 0.01 1 342 . 37 TRP CB C 29.658 0.05 1 343 . 37 TRP HB2 H 3.068 0.01 1 344 . 37 TRP HB3 H 3.682 0.01 1 345 . 37 TRP HD1 H 7.424 0.01 1 346 . 37 TRP HZ3 H 6.366 0.01 1 347 . 37 TRP HE3 H 7.759 0.01 1 348 . 37 TRP C C 176.186 0.05 1 349 . 38 LYS N N 121.481 0.05 1 350 . 38 LYS H H 8.299 0.01 1 351 . 38 LYS CA C 57.434 0.05 1 352 . 38 LYS HA H 4.336 0.01 1 353 . 38 LYS CB C 32.785 0.05 1 354 . 38 LYS HB2 H 2.045 0.01 2 355 . 38 LYS HB3 H 2.161 0.01 2 356 . 38 LYS CG C 26.200 0.05 1 357 . 38 LYS CD C 29.359 0.05 1 358 . 38 LYS CE C 42.562 0.05 1 359 . 38 LYS HE2 H 3.144 0.01 1 360 . 38 LYS HE3 H 3.144 0.01 1 361 . 38 LYS HG2 H 1.780 0.01 2 362 . 38 LYS HG3 H 1.563 0.01 2 363 . 38 LYS HD2 H 1.775 0.01 1 364 . 38 LYS HD3 H 1.775 0.01 1 365 . 38 LYS C C 180.146 0.05 1 366 . 39 ASP N N 125.578 0.05 1 367 . 39 ASP H H 9.190 0.01 1 368 . 39 ASP CA C 57.545 0.05 1 369 . 39 ASP HA H 4.195 0.01 1 370 . 39 ASP CB C 40.549 0.05 1 371 . 39 ASP HB2 H 2.658 0.01 1 372 . 39 ASP HB3 H 2.658 0.01 1 373 . 39 ASP C C 176.706 0.05 1 374 . 40 ASP N N 114.897 0.05 1 375 . 40 ASP H H 8.401 0.01 1 376 . 40 ASP CA C 52.822 0.05 1 377 . 40 ASP HA H 4.467 0.01 1 378 . 40 ASP CB C 39.863 0.05 1 379 . 40 ASP HB2 H 2.606 0.01 2 380 . 40 ASP HB3 H 2.841 0.01 2 381 . 40 ASP C C 175.443 0.05 1 382 . 41 TYR N N 121.217 0.05 1 383 . 41 TYR H H 7.172 0.01 1 384 . 41 TYR CA C 59.441 0.05 1 385 . 41 TYR HA H 4.196 0.01 1 386 . 41 TYR CB C 39.660 0.05 1 387 . 41 TYR HB2 H 2.471 0.01 2 388 . 41 TYR HB3 H 3.047 0.01 2 389 . 41 TYR HD1 H 6.625 0.01 1 390 . 41 TYR HE1 H 6.637 0.01 1 391 . 41 TYR HE2 H 6.637 0.01 1 392 . 41 TYR HD2 H 6.625 0.01 1 393 . 41 TYR C C 174.964 0.05 1 394 . 42 VAL N N 126.642 0.05 1 395 . 42 VAL H H 7.329 0.01 1 396 . 42 VAL CA C 60.729 0.05 1 397 . 42 VAL HA H 3.672 0.01 1 398 . 42 VAL CB C 34.771 0.05 1 399 . 42 VAL HB H 1.670 0.01 1 400 . 42 VAL CG2 C 20.818 0.05 1 401 . 42 VAL HG2 H 0.707 0.01 2 402 . 42 VAL CG1 C 20.818 0.05 1 403 . 42 VAL HG1 H 0.659 0.01 2 404 . 42 VAL C C 172.921 0.05 1 405 . 43 MET N N 128.490 0.05 1 406 . 43 MET H H 7.437 0.01 1 407 . 43 MET CA C 55.644 0.05 1 408 . 43 MET HA H 4.098 0.01 1 409 . 43 MET CB C 34.997 0.05 1 410 . 43 MET HB2 H 1.974 0.01 2 411 . 43 MET HB3 H 2.211 0.01 2 412 . 43 MET CG C 31.285 0.05 1 413 . 43 MET HG2 H 2.183 0.01 2 414 . 43 MET HG3 H 2.606 0.01 2 415 . 43 MET HE H 1.669 0.01 1 416 . 43 MET C C 174.313 0.05 1 417 . 44 THR N N 114.594 0.05 1 418 . 44 THR H H 8.602 0.01 1 419 . 44 THR CA C 61.502 0.05 1 420 . 44 THR HA H 4.405 0.01 1 421 . 44 THR CB C 71.062 0.05 1 422 . 44 THR HB H 4.197 0.01 1 423 . 44 THR CG2 C 21.557 0.05 1 424 . 44 THR HG2 H 1.020 0.01 1 425 . 44 THR C C 173.930 0.05 1 426 . 45 ASP N N 123.842 0.05 1 427 . 45 ASP H H 7.868 0.01 1 428 . 45 ASP CA C 53.706 0.05 1 429 . 45 ASP HA H 4.689 0.01 1 430 . 45 ASP CB C 42.710 0.05 1 431 . 45 ASP HB2 H 2.611 0.01 2 432 . 45 ASP HB3 H 2.895 0.01 2 433 . 45 ASP C C 176.742 0.05 1 434 . 46 ARG N N 128.697 0.05 1 435 . 46 ARG H H 8.974 0.01 1 436 . 46 ARG CA C 60.191 0.05 1 437 . 46 ARG HA H 3.920 0.01 1 438 . 46 ARG CB C 30.696 0.05 1 439 . 46 ARG HB2 H 2.020 0.01 2 440 . 46 ARG HB3 H 1.758 0.01 2 441 . 46 ARG CG C 28.765 0.05 1 442 . 46 ARG HG2 H 1.321 0.01 2 443 . 46 ARG HG3 H 1.629 0.01 2 444 . 46 ARG CD C 42.630 0.05 1 445 . 46 ARG HD2 H 3.318 0.01 2 446 . 46 ARG HD3 H 3.109 0.01 2 447 . 46 ARG NE N 86.523 0.05 1 448 . 46 ARG HE H 9.206 0.01 1 449 . 46 ARG HH11 H 6.710 0.01 1 450 . 46 ARG HH12 H 6.710 0.01 1 451 . 46 ARG C C 177.984 0.05 1 452 . 47 LEU N N 115.531 0.05 1 453 . 47 LEU H H 8.944 0.01 1 454 . 47 LEU CA C 57.815 0.05 1 455 . 47 LEU HA H 3.953 0.01 1 456 . 47 LEU CB C 41.619 0.05 1 457 . 47 LEU HB2 H 1.341 0.01 2 458 . 47 LEU HB3 H 1.896 0.01 2 459 . 47 LEU CG C 27.029 0.05 1 460 . 47 LEU HG H 1.835 0.01 1 461 . 47 LEU CD1 C 22.478 0.05 1 462 . 47 LEU HD1 H 0.883 0.01 2 463 . 47 LEU CD2 C 25.414 0.05 1 464 . 47 LEU HD2 H 1.019 0.01 2 465 . 47 LEU C C 179.702 0.05 1 466 . 48 ALA N N 122.058 0.05 1 467 . 48 ALA H H 7.828 0.01 1 468 . 48 ALA CA C 55.426 0.05 1 469 . 48 ALA HA H 3.999 0.01 1 470 . 48 ALA CB C 17.961 0.05 1 471 . 48 ALA HB H 1.759 0.01 1 472 . 48 ALA C C 179.704 0.05 1 473 . 49 GLY N N 104.849 0.05 1 474 . 49 GLY H H 7.309 0.01 1 475 . 49 GLY CA C 47.558 0.05 1 476 . 49 GLY HA2 H 3.634 0.01 2 477 . 49 GLY HA3 H 4.333 0.01 2 478 . 49 GLY C C 177.056 0.05 1 479 . 50 CYS N N 118.479 0.05 1 480 . 50 CYS H H 8.774 0.01 1 481 . 50 CYS CA C 55.216 0.05 1 482 . 50 CYS HA H 4.668 0.01 1 483 . 50 CYS CB C 34.747 0.05 1 484 . 50 CYS HB2 H 3.212 0.01 2 485 . 50 CYS HB3 H 3.031 0.01 2 486 . 50 CYS C C 178.237 0.05 1 487 . 51 ALA N N 125.919 0.05 1 488 . 51 ALA H H 8.752 0.01 1 489 . 51 ALA CA C 55.995 0.05 1 490 . 51 ALA HA H 3.785 0.01 1 491 . 51 ALA CB C 18.385 0.05 1 492 . 51 ALA HB H 1.464 0.01 1 493 . 51 ALA C C 178.462 0.05 1 494 . 52 ILE N N 117.354 0.05 1 495 . 52 ILE H H 8.027 0.01 1 496 . 52 ILE CA C 65.234 0.05 1 497 . 52 ILE HA H 4.021 0.01 1 498 . 52 ILE CB C 38.741 0.05 1 499 . 52 ILE HD1 H 0.841 0.01 4 500 . 52 ILE HG2 H 0.841 0.01 4 501 . 52 ILE C C 178.303 0.05 1 502 . 53 ASN N N 117.393 0.05 1 503 . 53 ASN H H 7.832 0.01 1 504 . 53 ASN CA C 52.912 0.05 1 505 . 53 ASN HA H 4.608 0.01 1 506 . 53 ASN CB C 40.731 0.05 1 507 . 53 ASN CG C 174.777 0.05 1 508 . 53 ASN ND2 N 112.234 0.05 1 509 . 53 ASN HD21 H 7.403 0.01 2 510 . 53 ASN HD22 H 6.774 0.01 2 511 . 53 ASN C C 175.544 0.05 1 512 . 54 CYS N N 121.865 0.05 1 513 . 54 CYS H H 8.475 0.01 1 514 . 54 CYS CA C 56.907 0.05 1 515 . 54 CYS HA H 4.670 0.01 1 516 . 54 CYS CB C 38.700 0.05 1 517 . 54 CYS C C 177.137 0.05 1 518 . 55 LEU N N 121.307 0.05 1 519 . 55 LEU H H 9.157 0.01 1 520 . 55 LEU CA C 54.920 0.05 1 521 . 55 LEU HA H 4.491 0.01 1 522 . 55 LEU CB C 42.289 0.05 1 523 . 55 LEU HB2 H 2.139 0.01 2 524 . 55 LEU HB3 H 1.538 0.01 2 525 . 55 LEU CG C 27.074 0.05 1 526 . 55 LEU HG H 1.821 0.01 1 527 . 55 LEU CD1 C 24.796 0.05 2 528 . 55 LEU HD1 H 0.892 0.01 1 529 . 55 LEU CD2 C 23.490 0.05 2 530 . 55 LEU HD2 H 0.892 0.01 1 531 . 55 LEU C C 175.720 0.05 1 532 . 56 ALA N N 106.625 0.05 1 533 . 56 ALA H H 7.797 0.01 1 534 . 56 ALA CA C 54.329 0.05 1 535 . 56 ALA HA H 3.753 0.01 1 536 . 56 ALA CB C 19.111 0.05 1 537 . 56 ALA C C 179.320 0.05 1 538 . 57 THR N N 117.550 0.05 1 539 . 57 THR H H 8.364 0.01 1 540 . 57 THR CA C 66.819 0.05 1 541 . 57 THR HA H 3.918 0.01 1 542 . 57 THR CB C 68.667 0.05 1 543 . 57 THR HB H 4.319 0.01 1 544 . 57 THR CG2 C 21.121 0.05 1 545 . 57 THR HG2 H 1.204 0.01 1 546 . 57 THR C C 178.499 0.05 1 547 . 58 LYS N N 122.658 0.05 1 548 . 58 LYS H H 8.337 0.01 1 549 . 58 LYS CA C 58.183 0.05 1 550 . 58 LYS HA H 4.058 0.01 1 551 . 58 LYS CB C 30.481 0.05 1 552 . 58 LYS HB2 H 1.778 0.01 2 553 . 58 LYS HB3 H 1.821 0.01 2 554 . 58 LYS CG C 24.968 0.05 1 555 . 58 LYS HG2 H 1.679 0.01 2 556 . 58 LYS HG3 H 1.385 0.01 2 557 . 58 LYS CD C 27.881 0.05 1 558 . 58 LYS HD2 H 1.516 0.01 2 559 . 58 LYS HD3 H 1.602 0.01 2 560 . 58 LYS HE2 H 2.651 0.01 2 561 . 58 LYS HE3 H 2.792 0.01 2 562 . 58 LYS CE C 42.523 0.05 1 563 . 58 LYS C C 178.125 0.05 1 564 . 59 LEU N N 117.227 0.05 1 565 . 59 LEU H H 6.924 0.01 1 566 . 59 LEU CA C 54.405 0.05 1 567 . 59 LEU HA H 4.235 0.01 1 568 . 59 LEU CB C 43.975 0.05 1 569 . 59 LEU HB2 H 1.413 0.01 2 570 . 59 LEU HB3 H 1.414 0.01 2 571 . 59 LEU CG C 26.629 0.05 1 572 . 59 LEU HG H 1.540 0.01 1 573 . 59 LEU CD1 C 23.157 0.05 1 574 . 59 LEU HD1 H 0.787 0.01 2 575 . 59 LEU CD2 C 26.706 0.05 1 576 . 59 LEU HD2 H 0.369 0.01 2 577 . 59 LEU C C 175.555 0.05 1 578 . 60 ASP N N 116.318 0.05 1 579 . 60 ASP H H 8.010 0.01 1 580 . 60 ASP CA C 55.393 0.05 1 581 . 60 ASP HA H 4.472 0.01 1 582 . 60 ASP CB C 40.089 0.05 1 583 . 60 ASP HB2 H 3.050 0.01 2 584 . 60 ASP HB3 H 2.510 0.01 2 585 . 60 ASP C C 175.333 0.05 1 586 . 61 VAL N N 106.962 0.05 1 587 . 61 VAL H H 7.706 0.01 1 588 . 61 VAL CA C 62.360 0.05 1 589 . 61 VAL HA H 4.369 0.01 1 590 . 61 VAL CB C 31.890 0.05 1 591 . 61 VAL HB H 1.436 0.01 1 592 . 61 VAL CG2 C 21.535 0.05 1 593 . 61 VAL HG2 H 0.709 0.01 2 594 . 61 VAL CG1 C 21.535 0.05 1 595 . 61 VAL HG1 H 0.832 0.01 2 596 . 61 VAL C C 174.732 0.05 1 597 . 62 VAL N N 111.465 0.05 1 598 . 62 VAL H H 6.892 0.01 1 599 . 62 VAL CA C 58.135 0.05 1 600 . 62 VAL HA H 4.184 0.01 1 601 . 62 VAL CB C 35.667 0.05 1 602 . 62 VAL HB H 1.759 0.01 1 603 . 62 VAL HG2 H 0.667 0.01 1 604 . 62 VAL HG1 H 0.667 0.01 1 605 . 62 VAL C C 174.700 0.05 1 606 . 63 ASP N N 123.393 0.05 1 607 . 63 ASP H H 8.391 0.01 1 608 . 63 ASP CA C 52.502 0.05 1 609 . 63 ASP HA H 4.790 0.01 1 610 . 63 ASP HB2 H 2.594 0.01 2 611 . 63 ASP HB3 H 3.427 0.01 2 612 . 63 ASP CB C 40.100 0.05 1 613 . 63 ASP C C 176.387 0.05 1 614 . 64 PRO CA C 65.510 0.05 1 615 . 64 PRO HA H 4.337 0.01 1 616 . 64 PRO CB C 32.181 0.05 1 617 . 64 PRO HB2 H 1.819 0.01 2 618 . 64 PRO HB3 H 2.595 0.01 2 619 . 64 PRO CG C 28.222 0.05 1 620 . 64 PRO HG2 H 2.111 0.01 2 621 . 64 PRO HG3 H 1.988 0.01 2 622 . 64 PRO CD C 51.481 0.05 1 623 . 64 PRO HD2 H 3.736 0.01 2 624 . 64 PRO HD3 H 3.941 0.01 2 625 . 64 PRO C C 176.815 0.05 1 626 . 65 ASP N N 114.412 0.05 1 627 . 65 ASP H H 7.805 0.01 1 628 . 65 ASP CA C 54.157 0.05 1 629 . 65 ASP HA H 4.768 0.01 1 630 . 65 ASP CB C 41.681 0.05 1 631 . 65 ASP HB2 H 2.813 0.01 2 632 . 65 ASP HB3 H 2.650 0.01 2 633 . 65 ASP C C 176.251 0.05 1 634 . 66 GLY N N 108.182 0.05 1 635 . 66 GLY H H 8.414 0.01 1 636 . 66 GLY CA C 44.979 0.05 1 637 . 66 GLY HA2 H 4.122 0.01 2 638 . 66 GLY HA3 H 3.278 0.01 2 639 . 66 GLY C C 173.369 0.05 1 640 . 67 ASN N N 119.544 0.05 1 641 . 67 ASN H H 8.219 0.01 1 642 . 67 ASN CA C 51.870 0.05 1 643 . 67 ASN HA H 4.857 0.01 1 644 . 67 ASN CB C 39.692 0.05 1 645 . 67 ASN HB2 H 2.913 0.01 2 646 . 67 ASN HB3 H 2.770 0.01 2 647 . 67 ASN CG C 176.599 0.05 1 648 . 67 ASN ND2 N 117.282 0.05 1 649 . 67 ASN HD21 H 8.246 0.01 2 650 . 67 ASN HD22 H 7.012 0.01 2 651 . 67 ASN C C 175.197 0.05 1 652 . 68 LEU N N 126.110 0.05 1 653 . 68 LEU H H 10.565 0.01 1 654 . 68 LEU CA C 56.390 0.05 1 655 . 68 LEU HA H 4.266 0.01 1 656 . 68 LEU CB C 42.868 0.05 1 657 . 68 LEU HB2 H 1.485 0.01 2 658 . 68 LEU HB3 H 1.477 0.01 2 659 . 68 LEU CG C 27.080 0.05 1 660 . 68 LEU HG H 1.772 0.01 1 661 . 68 LEU CD1 C 23.762 0.05 1 662 . 68 LEU HD1 H 0.699 0.01 2 663 . 68 LEU CD2 C 23.762 0.05 1 664 . 68 LEU HD2 H 0.923 0.01 2 665 . 68 LEU C C 176.942 0.05 1 666 . 69 HIS N N 107.272 0.05 1 667 . 69 HIS H H 9.052 0.01 1 668 . 69 HIS CA C 54.275 0.05 1 669 . 69 HIS HA H 4.224 0.01 1 670 . 69 HIS HB2 H 2.463 0.01 2 671 . 69 HIS HB3 H 3.128 0.01 2 672 . 69 HIS CB C 30.868 0.05 1 673 . 69 HIS C C 173.763 0.05 1 674 . 70 HIS N N 117.501 0.05 1 675 . 70 HIS H H 6.941 0.01 1 676 . 70 HIS CA C 60.766 0.05 1 677 . 70 HIS HA H 3.941 0.01 1 678 . 70 HIS CB C 30.666 0.05 1 679 . 70 HIS HB2 H 3.132 0.01 2 680 . 70 HIS HB3 H 3.089 0.01 2 681 . 70 HIS C C 177.255 0.05 1 682 . 71 GLY N N 107.193 0.05 1 683 . 71 GLY H H 8.568 0.01 1 684 . 71 GLY CA C 47.439 0.05 1 685 . 71 GLY HA2 H 4.083 0.01 2 686 . 71 GLY HA3 H 3.908 0.01 2 687 . 71 GLY C C 176.641 0.05 1 688 . 72 ASN N N 124.267 0.05 1 689 . 72 ASN H H 10.564 0.01 1 690 . 72 ASN CA C 55.144 0.05 1 691 . 72 ASN HA H 4.536 0.01 1 692 . 72 ASN CB C 36.868 0.05 1 693 . 72 ASN HB2 H 2.747 0.01 2 694 . 72 ASN HB3 H 2.765 0.01 2 695 . 72 ASN CG C 175.155 0.05 1 696 . 72 ASN ND2 N 108.684 0.05 1 697 . 72 ASN HD21 H 6.310 0.01 2 698 . 72 ASN HD22 H 7.181 0.01 2 699 . 72 ASN C C 179.427 0.05 1 700 . 73 ALA N N 124.474 0.05 1 701 . 73 ALA H H 9.066 0.01 1 702 . 73 ALA CA C 55.719 0.05 1 703 . 73 ALA HA H 4.183 0.01 1 704 . 73 ALA CB C 19.172 0.05 1 705 . 73 ALA HB H 1.586 0.01 1 706 . 73 ALA C C 178.210 0.05 1 707 . 74 LYS N N 118.919 0.05 1 708 . 74 LYS H H 8.240 0.01 1 709 . 74 LYS CA C 60.547 0.05 1 710 . 74 LYS HA H 3.782 0.01 1 711 . 74 LYS CB C 32.660 0.05 1 712 . 74 LYS HB2 H 2.005 0.01 2 713 . 74 LYS HB3 H 1.794 0.01 2 714 . 74 LYS CG C 26.468 0.05 1 715 . 74 LYS HG2 H 1.405 0.01 2 716 . 74 LYS HG3 H 1.070 0.01 2 717 . 74 LYS CD C 30.057 0.05 1 718 . 74 LYS HD2 H 1.605 0.01 1 719 . 74 LYS HD3 H 1.605 0.01 1 720 . 74 LYS CE C 40.389 0.05 1 721 . 74 LYS HE2 H 2.842 0.01 1 722 . 74 LYS HE3 H 2.842 0.01 1 723 . 74 LYS C C 178.206 0.05 1 724 . 75 ASP N N 118.206 0.05 1 725 . 75 ASP H H 8.072 0.01 1 726 . 75 ASP CA C 57.667 0.05 1 727 . 75 ASP HA H 4.379 0.01 1 728 . 75 ASP CB C 41.175 0.05 1 729 . 75 ASP HB2 H 2.707 0.01 2 730 . 75 ASP HB3 H 2.854 0.01 2 731 . 75 ASP C C 178.204 0.05 1 732 . 76 PHE N N 120.554 0.05 1 733 . 76 PHE H H 8.287 0.01 1 734 . 76 PHE CA C 61.543 0.05 1 735 . 76 PHE HA H 4.197 0.01 1 736 . 76 PHE CB C 38.919 0.05 1 737 . 76 PHE HB2 H 3.421 0.01 2 738 . 76 PHE HB3 H 3.329 0.01 2 739 . 76 PHE HD1 H 7.371 0.01 1 740 . 76 PHE HE1 H 6.753 0.01 1 741 . 76 PHE HE2 H 6.753 0.01 1 742 . 76 PHE HD2 H 7.371 0.01 1 743 . 76 PHE C C 176.615 0.05 1 744 . 77 ALA N N 119.886 0.05 1 745 . 77 ALA H H 8.231 0.01 1 746 . 77 ALA CA C 54.544 0.05 1 747 . 77 ALA HA H 3.950 0.01 1 748 . 77 ALA CB C 16.919 0.05 1 749 . 77 ALA HB H 1.477 0.01 1 750 . 77 ALA C C 179.560 0.05 1 751 . 78 MET N N 116.197 0.05 1 752 . 78 MET H H 8.308 0.01 1 753 . 78 MET CA C 58.254 0.05 1 754 . 78 MET HA H 4.835 0.01 1 755 . 78 MET CB C 32.148 0.05 1 756 . 78 MET HB2 H 2.173 0.01 2 757 . 78 MET HB3 H 2.064 0.01 2 758 . 78 MET CG C 32.148 0.05 1 759 . 78 MET HG2 H 2.292 0.01 2 760 . 78 MET HG3 H 2.718 0.01 2 761 . 78 MET HE H 1.482 0.01 1 762 . 78 MET C C 179.587 0.05 1 763 . 79 LYS N N 121.098 0.05 1 764 . 79 LYS H H 8.248 0.01 1 765 . 79 LYS CA C 59.013 0.05 1 766 . 79 LYS HA H 3.910 0.01 1 767 . 79 LYS CB C 31.963 0.05 1 768 . 79 LYS HB2 H 1.381 0.01 2 769 . 79 LYS HB3 H 1.674 0.01 2 770 . 79 LYS CG C 24.882 0.05 1 771 . 79 LYS HG2 H 1.226 0.01 2 772 . 79 LYS HG3 H 1.015 0.01 2 773 . 79 LYS CD C 29.270 0.05 1 774 . 79 LYS HD2 H 1.764 0.01 1 775 . 79 LYS HD3 H 1.764 0.01 1 776 . 79 LYS CE C 42.119 0.05 1 777 . 79 LYS HE2 H 2.912 0.01 1 778 . 79 LYS HE3 H 2.912 0.01 1 779 . 79 LYS C C 177.302 0.05 1 780 . 80 HIS N N 113.785 0.05 1 781 . 80 HIS H H 6.807 0.01 1 782 . 80 HIS CA C 55.660 0.05 1 783 . 80 HIS HA H 4.661 0.01 1 784 . 80 HIS CB C 29.742 0.05 1 785 . 80 HIS HB2 H 2.362 0.01 2 786 . 80 HIS HB3 H 3.193 0.01 2 787 . 80 HIS C C 174.288 0.05 1 788 . 81 GLY N N 103.704 0.05 1 789 . 81 GLY H H 7.165 0.01 1 790 . 81 GLY CA C 45.518 0.05 1 791 . 81 GLY HA2 H 3.568 0.01 2 792 . 81 GLY HA3 H 4.435 0.01 2 793 . 81 GLY C C 174.351 0.05 1 794 . 82 ALA N N 122.806 0.05 1 795 . 82 ALA H H 8.047 0.01 1 796 . 82 ALA CA C 51.953 0.05 1 797 . 82 ALA HA H 4.385 0.01 1 798 . 82 ALA CB C 19.451 0.05 1 799 . 82 ALA HB H 1.119 0.01 1 800 . 82 ALA C C 176.701 0.05 1 801 . 83 ASP N N 119.861 0.05 1 802 . 83 ASP H H 7.702 0.01 1 803 . 83 ASP CA C 52.448 0.05 1 804 . 83 ASP HA H 4.664 0.01 1 805 . 83 ASP CB C 41.114 0.05 1 806 . 83 ASP HB2 H 3.133 0.01 2 807 . 83 ASP HB3 H 2.781 0.01 2 808 . 83 ASP C C 175.353 0.05 1 809 . 84 GLU N N 119.454 0.05 1 810 . 84 GLU H H 8.799 0.01 1 811 . 84 GLU CA C 60.569 0.05 1 812 . 84 GLU HA H 4.073 0.01 1 813 . 84 GLU CB C 29.715 0.05 1 814 . 84 GLU HB2 H 1.986 0.01 2 815 . 84 GLU HB3 H 2.168 0.01 2 816 . 84 GLU CG C 36.338 0.05 1 817 . 84 GLU HG2 H 2.377 0.01 1 818 . 84 GLU HG3 H 2.377 0.01 1 819 . 84 GLU C C 178.216 0.05 1 820 . 85 THR N N 114.497 0.05 1 821 . 85 THR H H 7.893 0.01 1 822 . 85 THR CA C 66.195 0.05 1 823 . 85 THR HA H 3.989 0.01 1 824 . 85 THR CB C 68.437 0.05 1 825 . 85 THR HB H 4.262 0.01 1 826 . 85 THR CG2 C 21.852 0.05 1 827 . 85 THR HG2 H 1.330 0.01 1 828 . 85 THR C C 176.799 0.05 1 829 . 86 MET N N 123.919 0.05 1 830 . 86 MET H H 8.552 0.01 1 831 . 86 MET CA C 59.015 0.05 1 832 . 86 MET HA H 4.279 0.01 1 833 . 86 MET CB C 32.818 0.05 1 834 . 86 MET HB2 H 2.309 0.01 2 835 . 86 MET HB3 H 2.172 0.01 2 836 . 86 MET CG C 32.818 0.05 1 837 . 86 MET HG2 H 2.500 0.01 2 838 . 86 MET HG3 H 1.796 0.01 2 839 . 86 MET HE H 1.540 0.01 1 840 . 86 MET C C 177.789 0.05 1 841 . 87 ALA N N 120.029 0.05 1 842 . 87 ALA H H 8.914 0.01 1 843 . 87 ALA CA C 55.598 0.05 1 844 . 87 ALA HA H 3.852 0.01 1 845 . 87 ALA CB C 20.056 0.05 1 846 . 87 ALA HB H 1.541 0.01 1 847 . 87 ALA C C 178.521 0.05 1 848 . 88 GLN N N 115.659 0.05 1 849 . 88 GLN H H 8.205 0.01 1 850 . 88 GLN CA C 58.104 0.05 1 851 . 88 GLN HA H 3.870 0.01 1 852 . 88 GLN CB C 28.514 0.05 1 853 . 88 GLN HB2 H 2.218 0.01 2 854 . 88 GLN HB3 H 2.274 0.01 2 855 . 88 GLN CG C 33.513 0.05 1 856 . 88 GLN HG2 H 2.455 0.01 1 857 . 88 GLN HG3 H 2.455 0.01 1 858 . 88 GLN CD C 179.837 0.05 1 859 . 88 GLN NE2 N 116.357 0.05 1 860 . 88 GLN HE21 H 7.943 0.01 2 861 . 88 GLN HE22 H 6.891 0.01 2 862 . 88 GLN C C 177.225 0.05 1 863 . 89 GLN N N 119.334 0.05 1 864 . 89 GLN H H 8.209 0.01 1 865 . 89 GLN CA C 59.496 0.05 1 866 . 89 GLN HA H 4.257 0.01 1 867 . 89 GLN CB C 28.489 0.05 1 868 . 89 GLN HB2 H 2.301 0.01 2 869 . 89 GLN HB3 H 2.545 0.01 2 870 . 89 GLN CG C 34.203 0.05 1 871 . 89 GLN HG2 H 2.661 0.01 2 872 . 89 GLN HG3 H 2.454 0.01 2 873 . 89 GLN CD C 179.058 0.05 1 874 . 89 GLN NE2 N 109.374 0.05 1 875 . 89 GLN HE21 H 7.161 0.01 2 876 . 89 GLN HE22 H 6.625 0.01 2 877 . 89 GLN C C 178.932 0.05 1 878 . 90 LEU N N 117.907 0.05 1 879 . 90 LEU H H 8.468 0.01 1 880 . 90 LEU CA C 58.839 0.05 1 881 . 90 LEU HA H 4.244 0.01 1 882 . 90 LEU CB C 42.598 0.05 1 883 . 90 LEU HB2 H 1.445 0.01 2 884 . 90 LEU HB3 H 2.263 0.01 2 885 . 90 LEU CG C 24.479 0.05 1 886 . 90 LEU HG H 1.270 0.01 1 887 . 90 LEU CD1 C 26.631 0.05 1 888 . 90 LEU HD1 H 0.974 0.01 1 889 . 90 LEU CD2 C 26.631 0.05 1 890 . 90 LEU HD2 H 0.974 0.01 1 891 . 90 LEU C C 178.581 0.05 1 892 . 91 VAL N N 118.270 0.05 1 893 . 91 VAL H H 7.726 0.01 1 894 . 91 VAL CA C 67.206 0.05 1 895 . 91 VAL HA H 3.317 0.01 1 896 . 91 VAL CB C 31.426 0.05 1 897 . 91 VAL HB H 2.184 0.01 1 898 . 91 VAL CG2 C 23.221 0.05 2 899 . 91 VAL HG2 H 1.039 0.01 2 900 . 91 VAL CG1 C 21.607 0.05 2 901 . 91 VAL HG1 H 0.640 0.01 2 902 . 91 VAL C C 177.084 0.05 1 903 . 92 ASP N N 120.589 0.05 1 904 . 92 ASP H H 8.797 0.01 1 905 . 92 ASP CA C 57.804 0.05 1 906 . 92 ASP HA H 4.510 0.01 1 907 . 92 ASP CB C 39.963 0.05 1 908 . 92 ASP HB2 H 2.695 0.01 2 909 . 92 ASP HB3 H 2.986 0.01 2 910 . 92 ASP C C 180.755 0.05 1 911 . 93 ILE N N 122.238 0.05 1 912 . 93 ILE H H 8.629 0.01 1 913 . 93 ILE CA C 65.203 0.05 1 914 . 93 ILE HA H 3.878 0.01 1 915 . 93 ILE CB C 38.797 0.05 1 916 . 93 ILE HB H 2.187 0.01 1 917 . 93 ILE CG1 C 29.358 0.05 1 918 . 93 ILE HG12 H 2.112 0.01 2 919 . 93 ILE HG13 H 1.072 0.01 2 920 . 93 ILE HD1 H 0.751 0.01 4 921 . 93 ILE HG2 H 0.751 0.01 4 922 . 93 ILE C C 179.155 0.05 1 923 . 94 ILE N N 120.819 0.05 1 924 . 94 ILE H H 8.240 0.01 1 925 . 94 ILE CA C 67.045 0.05 1 926 . 94 ILE HA H 3.366 0.01 1 927 . 94 ILE CB C 37.081 0.05 1 928 . 94 ILE HB H 1.835 0.01 1 929 . 94 ILE CG1 C 31.356 0.05 1 930 . 94 ILE HG12 H 0.455 0.01 1 931 . 94 ILE HG13 H 2.053 0.01 1 932 . 94 ILE CD1 C 18.953 0.05 1 933 . 94 ILE HD1 H 0.801 0.01 1 934 . 94 ILE CG2 C 18.953 0.05 1 935 . 94 ILE HG2 H 0.465 0.01 1 936 . 94 ILE C C 177.544 0.05 1 937 . 95 HIS N N 119.559 0.05 1 938 . 95 HIS H H 9.377 0.01 1 939 . 95 HIS CA C 58.805 0.05 1 940 . 95 HIS HA H 4.514 0.01 1 941 . 95 HIS CB C 30.187 0.05 1 942 . 95 HIS HB2 H 3.030 0.01 2 943 . 95 HIS HB3 H 3.385 0.01 2 944 . 95 HIS C C 177.871 0.05 1 945 . 96 GLY N N 106.338 0.05 1 946 . 96 GLY H H 8.549 0.01 1 947 . 96 GLY CA C 47.215 0.05 1 948 . 96 GLY HA2 H 3.686 0.01 2 949 . 96 GLY HA3 H 4.019 0.01 2 950 . 96 GLY C C 177.320 0.05 1 951 . 97 CYS N N 121.751 0.05 1 952 . 97 CYS H H 8.278 0.01 1 953 . 97 CYS CA C 56.860 0.05 1 954 . 97 CYS HA H 4.696 0.01 1 955 . 97 CYS CB C 38.741 0.05 1 956 . 97 CYS HB2 H 3.141 0.01 2 957 . 97 CYS HB3 H 3.514 0.01 2 958 . 97 CYS C C 177.061 0.05 1 959 . 98 GLU N N 122.238 0.05 1 960 . 98 GLU H H 8.869 0.01 1 961 . 98 GLU CA C 59.780 0.05 1 962 . 98 GLU HA H 3.972 0.01 1 963 . 98 GLU CB C 29.940 0.05 1 964 . 98 GLU HB2 H 2.633 0.01 2 965 . 98 GLU HB3 H 2.104 0.01 2 966 . 98 GLU CG C 37.094 0.05 1 967 . 98 GLU HG2 H 2.166 0.01 2 968 . 98 GLU HG3 H 2.260 0.01 2 969 . 98 GLU C C 179.247 0.05 1 970 . 99 LYS N N 117.281 0.05 1 971 . 99 LYS H H 7.988 0.01 1 972 . 99 LYS CA C 58.132 0.05 1 973 . 99 LYS HA H 4.106 0.01 1 974 . 99 LYS CB C 32.274 0.05 1 975 . 99 LYS HB2 H 1.846 0.01 1 976 . 99 LYS HB3 H 1.846 0.01 1 977 . 99 LYS CG C 24.650 0.05 1 978 . 99 LYS HG2 H 1.427 0.01 2 979 . 99 LYS HG3 H 1.386 0.01 2 980 . 99 LYS CD C 28.843 0.05 1 981 . 99 LYS HD2 H 1.686 0.01 1 982 . 99 LYS HD3 H 1.686 0.01 1 983 . 99 LYS CE C 41.752 0.05 1 984 . 99 LYS HE2 H 2.586 0.01 1 985 . 99 LYS HE3 H 2.586 0.01 1 986 . 99 LYS C C 178.007 0.05 1 987 . 100 SER N N 112.080 0.05 1 988 . 100 SER H H 7.714 0.01 1 989 . 100 SER CA C 58.592 0.05 1 990 . 100 SER HA H 4.429 0.01 1 991 . 100 SER CB C 64.115 0.05 1 992 . 100 SER HB2 H 4.014 0.01 2 993 . 100 SER HB3 H 3.865 0.01 2 994 . 100 SER C C 173.930 0.05 1 995 . 101 ALA N N 127.239 0.05 1 996 . 101 ALA H H 7.269 0.01 1 997 . 101 ALA CA C 50.558 0.05 1 998 . 101 ALA HA H 4.572 0.01 1 999 . 101 ALA CB C 17.514 0.05 1 1000 . 101 ALA HB H 1.410 0.01 1 1001 . 101 ALA C C 174.794 0.05 1 1002 . 102 PRO CA C 61.345 0.05 1 1003 . 102 PRO CB C 30.582 0.05 1 1004 . 102 PRO CG C 27.675 0.05 1 1005 . 102 PRO HA H 4.668 0.01 1 1006 . 102 PRO HB2 H 2.357 0.01 2 1007 . 102 PRO HB3 H 1.896 0.01 2 1008 . 102 PRO HG2 H 2.061 0.01 1 1009 . 102 PRO HG3 H 2.061 0.01 1 1010 . 102 PRO CD C 50.558 0.05 1 1011 . 102 PRO HD2 H 3.925 0.01 2 1012 . 102 PRO HD3 H 3.645 0.01 2 1013 . 102 PRO C C 174.419 0.05 1 1014 . 103 PRO CA C 63.044 0.05 1 1015 . 103 PRO HA H 4.317 0.01 1 1016 . 103 PRO CB C 31.791 0.05 1 1017 . 103 PRO HB2 H 1.861 0.01 2 1018 . 103 PRO HB3 H 2.243 0.01 2 1019 . 103 PRO CG C 27.578 0.05 1 1020 . 103 PRO HG2 H 2.036 0.01 1 1021 . 103 PRO HG3 H 2.036 0.01 1 1022 . 103 PRO CD C 50.301 0.05 1 1023 . 103 PRO HD2 H 3.804 0.01 2 1024 . 103 PRO HD3 H 3.615 0.01 2 1025 . 103 PRO C C 176.405 0.05 1 1026 . 104 ASN N N 121.401 0.05 1 1027 . 104 ASN H H 8.243 0.01 1 1028 . 104 ASN CA C 53.479 0.05 1 1029 . 104 ASN HA H 4.560 0.01 1 1030 . 104 ASN CB C 42.442 0.05 1 1031 . 104 ASN HB2 H 2.552 0.01 2 1032 . 104 ASN HB3 H 2.682 0.01 2 1033 . 104 ASN CG C 177.568 0.05 1 1034 . 104 ASN ND2 N 114.194 0.05 1 1035 . 104 ASN HD21 H 8.307 0.01 2 1036 . 104 ASN HD22 H 6.737 0.01 2 1037 . 104 ASN C C 174.619 0.05 1 1038 . 105 ASP N N 124.693 0.05 1 1039 . 105 ASP H H 8.704 0.01 1 1040 . 105 ASP CA C 55.125 0.05 1 1041 . 105 ASP HA H 4.571 0.01 1 1042 . 105 ASP CB C 40.956 0.05 1 1043 . 105 ASP HB2 H 2.655 0.01 1 1044 . 105 ASP HB3 H 2.655 0.01 1 1045 . 105 ASP C C 175.688 0.05 1 1046 . 106 ASP N N 119.797 0.05 1 1047 . 106 ASP H H 8.557 0.01 1 1048 . 106 ASP CA C 52.377 0.05 1 1049 . 106 ASP HA H 4.766 0.01 1 1050 . 106 ASP CB C 41.564 0.05 1 1051 . 106 ASP HB2 H 2.938 0.01 2 1052 . 106 ASP HB3 H 2.584 0.01 2 1053 . 106 ASP C C 176.637 0.05 1 1054 . 107 LYS N N 126.267 0.05 1 1055 . 107 LYS H H 8.851 0.01 1 1056 . 107 LYS CA C 58.738 0.05 1 1057 . 107 LYS HA H 4.135 0.01 1 1058 . 107 LYS CB C 32.249 0.05 1 1059 . 107 LYS HB2 H 1.843 0.01 1 1060 . 107 LYS HB3 H 1.843 0.01 1 1061 . 107 LYS CG C 24.387 0.05 1 1062 . 107 LYS HG2 H 1.320 0.01 1 1063 . 107 LYS HG3 H 1.320 0.01 1 1064 . 107 LYS CD C 29.213 0.05 1 1065 . 107 LYS HD2 H 1.499 0.01 1 1066 . 107 LYS HD3 H 1.499 0.01 1 1067 . 107 LYS CE C 41.130 0.05 1 1068 . 107 LYS HE2 H 2.908 0.01 1 1069 . 107 LYS HE3 H 2.908 0.01 1 1070 . 107 LYS C C 179.685 0.05 1 1071 . 108 CYS N N 119.310 0.05 1 1072 . 108 CYS H H 8.503 0.01 1 1073 . 108 CYS CA C 61.378 0.05 1 1074 . 108 CYS HA H 3.996 0.01 1 1075 . 108 CYS CB C 44.368 0.05 1 1076 . 108 CYS HB2 H 3.234 0.01 2 1077 . 108 CYS HB3 H 3.811 0.01 2 1078 . 108 CYS C C 175.437 0.05 1 1079 . 109 MET N N 116.835 0.05 1 1080 . 109 MET H H 7.169 0.01 1 1081 . 109 MET CA C 56.127 0.05 1 1082 . 109 MET HA H 4.394 0.01 1 1083 . 109 MET CB C 31.566 0.05 1 1084 . 109 MET HB2 H 2.121 0.01 1 1085 . 109 MET HB3 H 2.121 0.01 1 1086 . 109 MET CG C 31.566 0.05 1 1087 . 109 MET HG2 H 2.490 0.01 2 1088 . 109 MET HG3 H 2.829 0.01 2 1089 . 109 MET HE H 1.823 0.01 1 1090 . 109 MET C C 179.277 0.05 1 1091 . 110 LYS N N 121.547 0.05 1 1092 . 110 LYS H H 8.057 0.01 1 1093 . 110 LYS CA C 58.721 0.05 1 1094 . 110 LYS HA H 4.505 0.01 1 1095 . 110 LYS CB C 32.441 0.05 1 1096 . 110 LYS HB2 H 2.127 0.01 2 1097 . 110 LYS HB3 H 1.812 0.01 2 1098 . 110 LYS CG C 24.366 0.05 1 1099 . 110 LYS HG2 H 1.562 0.01 1 1100 . 110 LYS HG3 H 1.562 0.01 1 1101 . 110 LYS CD C 29.560 0.05 1 1102 . 110 LYS HD2 H 1.812 0.01 1 1103 . 110 LYS HD3 H 1.812 0.01 1 1104 . 110 LYS CE C 42.291 0.05 1 1105 . 110 LYS HE2 H 2.874 0.01 2 1106 . 110 LYS HE3 H 2.562 0.01 2 1107 . 110 LYS C C 178.285 0.05 1 1108 . 111 THR N N 113.410 0.05 1 1109 . 111 THR H H 7.528 0.01 1 1110 . 111 THR CA C 67.939 0.05 1 1111 . 111 THR HA H 4.217 0.01 1 1112 . 111 THR CB C 67.596 0.05 1 1113 . 111 THR HB H 3.836 0.01 1 1114 . 111 THR CG2 C 22.750 0.05 1 1115 . 111 THR HG2 H 1.261 0.01 1 1116 . 111 THR C C 175.375 0.05 1 1117 . 112 ILE N N 120.937 0.05 1 1118 . 112 ILE H H 7.225 0.01 1 1119 . 112 ILE CA C 66.424 0.05 1 1120 . 112 ILE HA H 3.827 0.01 1 1121 . 112 ILE CB C 37.860 0.05 1 1122 . 112 ILE HB H 2.017 0.01 1 1123 . 112 ILE CG1 C 28.363 0.05 1 1124 . 112 ILE HG12 H 1.940 0.01 2 1125 . 112 ILE HG13 H 0.812 0.01 2 1126 . 112 ILE CD1 C 13.462 0.05 1 1127 . 112 ILE HD1 H 0.788 0.01 4 1128 . 112 ILE CG2 C 16.935 0.05 1 1129 . 112 ILE HG2 H 0.813 0.01 4 1130 . 112 ILE C C 177.056 0.05 1 1131 . 113 ASP N N 118.254 0.05 1 1132 . 113 ASP H H 7.021 0.01 1 1133 . 113 ASP CA C 57.901 0.05 1 1134 . 113 ASP HA H 4.506 0.01 1 1135 . 113 ASP CB C 40.628 0.05 1 1136 . 113 ASP HB2 H 2.760 0.01 2 1137 . 113 ASP HB3 H 2.890 0.01 2 1138 . 113 ASP C C 180.482 0.05 1 1139 . 114 VAL N N 121.535 0.05 1 1140 . 114 VAL H H 8.434 0.01 1 1141 . 114 VAL CA C 67.731 0.05 1 1142 . 114 VAL HA H 3.511 0.01 1 1143 . 114 VAL CB C 32.264 0.05 1 1144 . 114 VAL HB H 2.134 0.01 1 1145 . 114 VAL CG2 C 23.325 0.05 2 1146 . 114 VAL HG2 H 1.084 0.01 2 1147 . 114 VAL CG1 C 21.667 0.05 2 1148 . 114 VAL HG1 H 0.944 0.01 2 1149 . 114 VAL C C 177.309 0.05 1 1150 . 115 ALA N N 122.217 0.05 1 1151 . 115 ALA H H 9.358 0.01 1 1152 . 115 ALA CA C 55.885 0.05 1 1153 . 115 ALA HA H 4.140 0.01 1 1154 . 115 ALA CB C 18.062 0.05 1 1155 . 115 ALA HB H 1.580 0.01 1 1156 . 115 ALA C C 179.858 0.05 1 1157 . 116 MET N N 115.119 0.05 1 1158 . 116 MET H H 8.828 0.01 1 1159 . 116 MET CA C 56.247 0.05 1 1160 . 116 MET HA H 4.677 0.01 1 1161 . 116 MET CB C 32.524 0.05 1 1162 . 116 MET HB2 H 2.816 0.01 1 1163 . 116 MET HB3 H 3.090 0.01 1 1164 . 116 MET CG C 30.987 0.05 1 1165 . 116 MET HG2 H 2.088 0.01 1 1166 . 116 MET HG3 H 2.448 0.01 1 1167 . 116 MET CE C 19.897 0.05 1 1168 . 116 MET HE H 1.584 0.01 1 1169 . 116 MET C C 178.688 0.05 1 1170 . 117 CYS N N 122.801 0.05 1 1171 . 117 CYS H H 7.859 0.01 1 1172 . 117 CYS CA C 59.752 0.05 1 1173 . 117 CYS HA H 4.415 0.01 1 1174 . 117 CYS CB C 36.904 0.05 1 1175 . 117 CYS HB2 H 3.502 0.01 2 1176 . 117 CYS HB3 H 3.347 0.01 2 1177 . 117 CYS C C 175.509 0.05 1 1178 . 118 PHE N N 124.105 0.05 1 1179 . 118 PHE H H 9.005 0.01 1 1180 . 118 PHE CA C 61.114 0.05 1 1181 . 118 PHE HA H 4.053 0.01 1 1182 . 118 PHE CB C 39.382 0.05 1 1183 . 118 PHE HB2 H 3.514 0.01 2 1184 . 118 PHE HB3 H 3.012 0.01 2 1185 . 118 PHE HD1 H 7.212 0.01 1 1186 . 118 PHE HE1 H 7.354 0.01 1 1187 . 118 PHE HE2 H 7.354 0.01 1 1188 . 118 PHE HD2 H 7.212 0.01 1 1189 . 118 PHE C C 175.835 0.05 1 1190 . 119 LYS N N 119.474 0.05 1 1191 . 119 LYS H H 8.811 0.01 1 1192 . 119 LYS CA C 60.289 0.05 1 1193 . 119 LYS HA H 3.925 0.01 1 1194 . 119 LYS CB C 33.821 0.05 1 1195 . 119 LYS HB2 H 1.984 0.01 2 1196 . 119 LYS HB3 H 2.108 0.01 2 1197 . 119 LYS CG C 26.119 0.05 1 1198 . 119 LYS HG2 H 1.300 0.01 1 1199 . 119 LYS HG3 H 1.300 0.01 1 1200 . 119 LYS CD C 29.783 0.05 1 1201 . 119 LYS HD2 H 1.539 0.01 1 1202 . 119 LYS HD3 H 1.539 0.01 1 1203 . 119 LYS CE C 40.777 0.05 1 1204 . 119 LYS HE2 H 3.006 0.01 2 1205 . 119 LYS HE3 H 3.134 0.01 2 1206 . 119 LYS C C 178.055 0.05 1 1207 . 120 LYS N N 117.400 0.05 1 1208 . 120 LYS H H 7.941 0.01 1 1209 . 120 LYS CA C 59.887 0.05 1 1210 . 120 LYS HA H 4.075 0.01 1 1211 . 120 LYS CB C 32.292 0.05 1 1212 . 120 LYS HB2 H 2.084 0.01 2 1213 . 120 LYS HB3 H 1.890 0.01 2 1214 . 120 LYS CG C 25.256 0.05 1 1215 . 120 LYS HG2 H 1.669 0.01 2 1216 . 120 LYS HG3 H 1.482 0.01 2 1217 . 120 LYS CD C 29.475 0.05 1 1218 . 120 LYS HD2 H 1.686 0.01 1 1219 . 120 LYS HD3 H 1.686 0.01 1 1220 . 120 LYS CE C 42.144 0.05 1 1221 . 120 LYS HE2 H 3.043 0.01 2 1222 . 120 LYS HE3 H 3.129 0.01 2 1223 . 120 LYS C C 179.779 0.05 1 1224 . 121 GLU N N 119.314 0.05 1 1225 . 121 GLU H H 8.014 0.01 1 1226 . 121 GLU CA C 58.539 0.05 1 1227 . 121 GLU HA H 4.110 0.01 1 1228 . 121 GLU CB C 29.355 0.05 1 1229 . 121 GLU HB2 H 2.041 0.01 1 1230 . 121 GLU HB3 H 2.041 0.01 1 1231 . 121 GLU CG C 35.409 0.05 1 1232 . 121 GLU HG2 H 2.278 0.01 2 1233 . 121 GLU HG3 H 2.532 0.01 2 1234 . 121 GLU C C 178.662 0.05 1 1235 . 122 ILE N N 120.313 0.05 1 1236 . 122 ILE H H 8.209 0.01 1 1237 . 122 ILE CA C 61.754 0.05 1 1238 . 122 ILE HA H 3.583 0.01 1 1239 . 122 ILE CB C 34.328 0.05 1 1240 . 122 ILE HB H 2.309 0.01 1 1241 . 122 ILE CG1 C 26.726 0.05 1 1242 . 122 ILE HG12 H 0.682 0.01 2 1243 . 122 ILE HG13 H 1.259 0.01 2 1244 . 122 ILE HD1 H 0.787 0.01 1 1245 . 122 ILE CG2 C 18.914 0.05 1 1246 . 122 ILE HG2 H 0.576 0.01 1 1247 . 122 ILE C C 179.347 0.05 1 1248 . 123 HIS N N 119.876 0.05 1 1249 . 123 HIS H H 8.495 0.01 1 1250 . 123 HIS CA C 60.456 0.05 1 1251 . 123 HIS HA H 4.234 0.01 1 1252 . 123 HIS CB C 28.539 0.05 1 1253 . 123 HIS HB2 H 3.204 0.01 2 1254 . 123 HIS HB3 H 3.296 0.01 2 1255 . 123 HIS HD2 H 7.049 0.01 1 1256 . 123 HIS HE1 H 7.402 0.01 1 1257 . 123 HIS HD1 H 10.425 0.01 1 1258 . 123 HIS C C 179.263 0.05 1 1259 . 124 LYS N N 121.528 0.05 1 1260 . 124 LYS H H 7.882 0.01 1 1261 . 124 LYS CA C 59.486 0.05 1 1262 . 124 LYS HA H 3.968 0.01 1 1263 . 124 LYS CB C 32.355 0.05 1 1264 . 124 LYS HB2 H 1.940 0.01 1 1265 . 124 LYS HB3 H 1.940 0.01 1 1266 . 124 LYS CG C 25.079 0.05 1 1267 . 124 LYS HG2 H 1.242 0.01 1 1268 . 124 LYS HG3 H 1.242 0.01 1 1269 . 124 LYS CD C 29.587 0.05 1 1270 . 124 LYS HD2 H 1.631 0.01 1 1271 . 124 LYS HD3 H 1.631 0.01 1 1272 . 124 LYS CE C 41.966 0.05 1 1273 . 124 LYS HE2 H 3.264 0.01 1 1274 . 124 LYS HE3 H 3.264 0.01 1 1275 . 124 LYS C C 178.185 0.05 1 1276 . 125 LEU N N 117.734 0.05 1 1277 . 125 LEU H H 7.259 0.01 1 1278 . 125 LEU CA C 55.103 0.05 1 1279 . 125 LEU HA H 3.795 0.01 1 1280 . 125 LEU CB C 41.514 0.05 1 1281 . 125 LEU HB2 H 1.935 0.01 1 1282 . 125 LEU HB3 H 1.935 0.01 1 1283 . 125 LEU CG C 24.586 0.05 1 1284 . 125 LEU HG H 1.259 0.01 1 1285 . 125 LEU CD1 C 21.952 0.05 1 1286 . 125 LEU HD1 H 0.838 0.01 1 1287 . 125 LEU CD2 C 21.952 0.05 1 1288 . 125 LEU HD2 H 0.838 0.01 1 1289 . 125 LEU C C 176.060 0.05 1 1290 . 126 ASN N N 112.832 0.05 1 1291 . 126 ASN H H 7.842 0.01 1 1292 . 126 ASN CA C 54.134 0.05 1 1293 . 126 ASN HA H 4.484 0.01 1 1294 . 126 ASN CB C 37.040 0.05 1 1295 . 126 ASN HB2 H 3.271 0.01 2 1296 . 126 ASN HB3 H 2.929 0.01 2 1297 . 126 ASN CG C 178.152 0.05 1 1298 . 126 ASN ND2 N 111.864 0.05 1 1299 . 126 ASN HD21 H 7.429 0.01 2 1300 . 126 ASN HD22 H 6.786 0.01 2 1301 . 126 ASN C C 175.832 0.05 1 1302 . 127 TRP N N 117.588 0.05 1 1303 . 127 TRP H H 7.519 0.01 1 1304 . 127 TRP CA C 56.566 0.05 1 1305 . 127 TRP HA H 4.386 0.01 1 1306 . 127 TRP CB C 30.295 0.05 1 1307 . 127 TRP HB2 H 2.853 0.01 2 1308 . 127 TRP HB3 H 3.360 0.01 2 1309 . 127 TRP HD1 H 7.491 0.01 1 1310 . 127 TRP NE1 N 126.352 0.05 1 1311 . 127 TRP HE1 H 9.831 0.01 1 1312 . 127 TRP HE3 H 7.283 0.01 1 1313 . 127 TRP HZ2 H 6.951 0.01 1 1314 . 127 TRP HH2 H 6.784 0.01 1 1315 . 127 TRP C C 175.363 0.05 1 1316 . 128 VAL N N 124.389 0.05 1 1317 . 128 VAL H H 7.713 0.01 1 1318 . 128 VAL CA C 63.124 0.05 1 1319 . 128 VAL HA H 4.422 0.01 1 1320 . 128 VAL CB C 33.387 0.05 1 1321 . 128 VAL HB H 2.121 0.01 1 1322 . 128 VAL HG2 H 0.704 0.01 1 1323 . 128 VAL HG1 H 0.704 0.01 1 1324 . 128 VAL C C 176.669 0.05 1 1325 . 129 PRO CA C 62.164 0.05 1 1326 . 129 PRO HA H 4.214 0.01 1 1327 . 129 PRO CB C 32.181 0.05 1 1328 . 129 PRO HB2 H 2.229 0.01 1 1329 . 129 PRO HB3 H 2.229 0.01 1 1330 . 129 PRO CG C 26.334 0.05 1 1331 . 129 PRO HG2 H 1.846 0.01 1 1332 . 129 PRO HG3 H 1.846 0.01 1 1333 . 129 PRO CD C 49.421 0.05 1 1334 . 129 PRO HD2 H 3.001 0.01 1 1335 . 129 PRO HD3 H 3.001 0.01 1 1336 . 129 PRO C C 175.043 0.05 1 1337 . 130 ASN N N 119.070 0.05 1 1338 . 130 ASN H H 8.298 0.01 1 1339 . 130 ASN CA C 52.828 0.05 1 1340 . 130 ASN HA H 4.615 0.01 1 1341 . 130 ASN CB C 38.540 0.05 1 1342 . 130 ASN HB2 H 2.728 0.01 2 1343 . 130 ASN HB3 H 2.805 0.01 2 1344 . 130 ASN CG C 176.842 0.05 1 1345 . 130 ASN ND2 N 112.006 0.05 1 1346 . 130 ASN HD21 H 7.549 0.01 2 1347 . 130 ASN HD22 H 6.890 0.01 2 1348 . 130 ASN C C 175.350 0.05 1 1349 . 131 MET N N 121.486 0.05 1 1350 . 131 MET H H 8.364 0.01 1 1351 . 131 MET CA C 54.978 0.05 1 1352 . 131 MET HA H 4.500 0.01 1 1353 . 131 MET CB C 32.158 0.05 1 1354 . 131 MET HB2 H 1.775 0.01 2 1355 . 131 MET HB3 H 2.085 0.01 2 1356 . 131 MET CG C 32.158 0.05 1 1357 . 131 MET HG2 H 2.208 0.01 1 1358 . 131 MET HG3 H 2.208 0.01 1 1359 . 131 MET CE C 18.913 0.05 1 1360 . 131 MET HE H 1.581 0.01 1 1361 . 131 MET C C 176.036 0.05 1 1362 . 132 ASP N N 120.612 0.05 1 1363 . 132 ASP H H 8.287 0.01 1 1364 . 132 ASP CA C 54.622 0.05 1 1365 . 132 ASP HA H 4.560 0.01 1 1366 . 132 ASP CB C 41.109 0.05 1 1367 . 132 ASP HB2 H 2.582 0.01 2 1368 . 132 ASP HB3 H 2.704 0.01 2 1369 . 132 ASP C C 175.837 0.05 1 1370 . 133 LEU N N 121.770 0.05 1 1371 . 133 LEU H H 7.945 0.01 1 1372 . 133 LEU CA C 55.165 0.05 1 1373 . 133 LEU HA H 4.332 0.01 1 1374 . 133 LEU CB C 42.588 0.05 1 1375 . 133 LEU HB2 H 1.658 0.01 1 1376 . 133 LEU HB3 H 1.658 0.01 1 1377 . 133 LEU CG C 27.086 0.05 1 1378 . 133 LEU HG H 1.598 0.01 1 1379 . 133 LEU CD1 C 24.448 0.05 1 1380 . 133 LEU HD1 H 0.885 0.01 1 1381 . 133 LEU CD2 C 24.448 0.05 1 1382 . 133 LEU HD2 H 0.885 0.01 1 1383 . 133 LEU C C 176.810 0.05 1 1384 . 134 VAL N N 122.473 0.05 1 1385 . 134 VAL H H 8.122 0.01 1 1386 . 134 VAL CA C 62.243 0.05 1 1387 . 134 VAL HA H 4.081 0.01 1 1388 . 134 VAL CB C 32.540 0.05 1 1389 . 134 VAL HB H 2.141 0.01 1 1390 . 134 VAL CG2 C 21.061 0.05 1 1391 . 134 VAL HG2 H 0.927 0.01 1 1392 . 134 VAL CG1 C 21.061 0.05 1 1393 . 134 VAL HG1 H 0.927 0.01 1 1394 . 134 VAL C C 175.867 0.05 1 1395 . 135 ILE N N 125.140 0.05 1 1396 . 135 ILE H H 8.203 0.01 1 1397 . 135 ILE CA C 61.097 0.05 1 1398 . 135 ILE HA H 4.156 0.01 1 1399 . 135 ILE CB C 38.674 0.05 1 1400 . 135 ILE HB H 1.852 0.01 1 1401 . 135 ILE CG1 C 27.303 0.05 1 1402 . 135 ILE HG12 H 1.194 0.01 2 1403 . 135 ILE HG13 H 1.864 0.01 2 1404 . 135 ILE CD1 C 12.771 0.05 1 1405 . 135 ILE HD1 H 0.899 0.01 1 1406 . 135 ILE CG2 C 17.470 0.05 1 1407 . 135 ILE HG2 H 1.200 0.01 1 1408 . 135 ILE C C 176.392 0.05 1 1409 . 136 GLY N N 112.668 0.05 1 1410 . 136 GLY H H 8.321 0.01 1 1411 . 136 GLY CA C 45.057 0.05 1 1412 . 136 GLY HA2 H 3.937 0.01 1 1413 . 136 GLY HA3 H 3.937 0.01 1 1414 . 136 GLY C C 173.605 0.05 1 1415 . 137 GLU N N 120.733 0.05 1 1416 . 137 GLU H H 8.128 0.01 1 1417 . 137 GLU CA C 56.339 0.05 1 1418 . 137 GLU HA H 4.294 0.01 1 1419 . 137 GLU CB C 30.548 0.05 1 1420 . 137 GLU HB2 H 1.891 0.01 1 1421 . 137 GLU HB3 H 1.891 0.01 1 1422 . 137 GLU CG C 36.233 0.05 1 1423 . 137 GLU HG2 H 2.234 0.01 1 1424 . 137 GLU HG3 H 2.234 0.01 1 1425 . 137 GLU C C 176.186 0.05 1 1426 . 138 VAL N N 121.980 0.05 1 1427 . 138 VAL H H 8.179 0.01 1 1428 . 138 VAL CA C 62.256 0.05 1 1429 . 138 VAL HA H 4.073 0.01 1 1430 . 138 VAL CB C 32.622 0.05 1 1431 . 138 VAL HB H 2.058 0.01 1 1432 . 138 VAL CG2 C 20.992 0.05 1 1433 . 138 VAL HG2 H 0.953 0.01 1 1434 . 138 VAL CG1 C 20.992 0.05 1 1435 . 138 VAL HG1 H 0.953 0.01 1 1436 . 138 VAL C C 175.821 0.05 1 1437 . 139 LEU N N 126.804 0.05 1 1438 . 139 LEU H H 8.290 0.01 1 1439 . 139 LEU CA C 54.755 0.05 1 1440 . 139 LEU HA H 4.377 0.01 1 1441 . 139 LEU CB C 42.412 0.05 1 1442 . 139 LEU HB2 H 1.674 0.01 1 1443 . 139 LEU HB3 H 1.674 0.01 1 1444 . 139 LEU CG C 27.052 0.05 1 1445 . 139 LEU HG H 1.635 0.01 1 1446 . 139 LEU CD1 C 24.694 0.05 1 1447 . 139 LEU HD1 H 0.951 0.01 1 1448 . 139 LEU CD2 C 24.694 0.05 1 1449 . 139 LEU HD2 H 0.951 0.01 1 1450 . 139 LEU C C 176.523 0.05 1 1451 . 140 ALA N N 125.233 0.05 1 1452 . 140 ALA H H 8.171 0.01 1 1453 . 140 ALA CA C 52.123 0.05 1 1454 . 140 ALA HA H 4.332 0.01 1 1455 . 140 ALA CB C 19.835 0.05 1 1456 . 140 ALA HB H 1.413 0.01 1 1457 . 140 ALA C C 177.162 0.05 1 1458 . 141 GLU N N 120.934 0.05 1 1459 . 141 GLU H H 8.280 0.01 1 1460 . 141 GLU CA C 56.423 0.05 1 1461 . 141 GLU HA H 4.299 0.01 1 1462 . 141 GLU CB C 30.433 0.05 1 1463 . 141 GLU HB2 H 1.940 0.01 1 1464 . 141 GLU HB3 H 1.940 0.01 1 1465 . 141 GLU CG C 36.346 0.05 1 1466 . 141 GLU HG2 H 2.284 0.01 1 1467 . 141 GLU HG3 H 2.284 0.01 1 1468 . 141 GLU C C 175.427 0.05 1 1469 . 142 VAL N N 124.761 0.05 1 1470 . 142 VAL H H 7.650 0.01 1 1471 . 142 VAL CA C 63.443 0.05 1 1472 . 142 VAL HA H 4.052 0.01 1 1473 . 142 VAL CB C 33.346 0.05 1 1474 . 142 VAL C C 180.887 0.05 1 stop_ save_