data_25448 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of N-terminal domain of human TIG3 ; _BMRB_accession_number 25448 _BMRB_flat_file_name bmr25448.str _Entry_type original _Submission_date 2015-01-21 _Accession_date 2015-01-21 _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 Wei Hejia . . 2 Wang Lei . . 3 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 624 "13C chemical shifts" 355 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-07 original BMRB . stop_ _Original_release_date 2015-04-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Functional Characterization of Tumor Suppressors TIG3 and H-REV107 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wei Hejia . . 2 Wang Lei . . 3 Ren Xiaobai . . 4 Yu Wenyu . . 5 Lin Jian . . 6 Jin Changwen . . 7 Xia Bin . . stop_ _Journal_abbreviation FEBS _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminal domain of human TIG3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TIG3N $TIG3N stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TIG3N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TIG3N _Molecular_mass 14050.996 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MASPHQEPKPGDLIEIFRLG YEHWALYIGDGYVIHLAPPS EYPGAGSSSVFSVLSNSAEV KRERLEDVVGGCCYRVNNSL DHEYQPRPVEVIISSAKEMV GQKMKYSIVSRNCEHFVTQL RYGKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 SER 4 4 PRO 5 5 HIS 6 6 GLN 7 7 GLU 8 8 PRO 9 9 LYS 10 10 PRO 11 11 GLY 12 12 ASP 13 13 LEU 14 14 ILE 15 15 GLU 16 16 ILE 17 17 PHE 18 18 ARG 19 19 LEU 20 20 GLY 21 21 TYR 22 22 GLU 23 23 HIS 24 24 TRP 25 25 ALA 26 26 LEU 27 27 TYR 28 28 ILE 29 29 GLY 30 30 ASP 31 31 GLY 32 32 TYR 33 33 VAL 34 34 ILE 35 35 HIS 36 36 LEU 37 37 ALA 38 38 PRO 39 39 PRO 40 40 SER 41 41 GLU 42 42 TYR 43 43 PRO 44 44 GLY 45 45 ALA 46 46 GLY 47 47 SER 48 48 SER 49 49 SER 50 50 VAL 51 51 PHE 52 52 SER 53 53 VAL 54 54 LEU 55 55 SER 56 56 ASN 57 57 SER 58 58 ALA 59 59 GLU 60 60 VAL 61 61 LYS 62 62 ARG 63 63 GLU 64 64 ARG 65 65 LEU 66 66 GLU 67 67 ASP 68 68 VAL 69 69 VAL 70 70 GLY 71 71 GLY 72 72 CYS 73 73 CYS 74 74 TYR 75 75 ARG 76 76 VAL 77 77 ASN 78 78 ASN 79 79 SER 80 80 LEU 81 81 ASP 82 82 HIS 83 83 GLU 84 84 TYR 85 85 GLN 86 86 PRO 87 87 ARG 88 88 PRO 89 89 VAL 90 90 GLU 91 91 VAL 92 92 ILE 93 93 ILE 94 94 SER 95 95 SER 96 96 ALA 97 97 LYS 98 98 GLU 99 99 MET 100 100 VAL 101 101 GLY 102 102 GLN 103 103 LYS 104 104 MET 105 105 LYS 106 106 TYR 107 107 SER 108 108 ILE 109 109 VAL 110 110 SER 111 111 ARG 112 112 ASN 113 113 CYS 114 114 GLU 115 115 HIS 116 116 PHE 117 117 VAL 118 118 THR 119 119 GLN 120 120 LEU 121 121 ARG 122 122 TYR 123 123 GLY 124 124 LYS 125 125 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 18012 entity 100.00 125 100.00 100.00 3.99e-86 BMRB 2545 TIG3N 100.00 125 100.00 100.00 3.99e-86 PDB 2LKT "Solution Structure Of N-Terminal Domain Of Human Tig3 In 2 M Urea" 100.00 125 100.00 100.00 3.99e-86 PDB 2MY9 "Solution Structure Of N-terminal Domain Of Human Tig3" 100.00 125 100.00 100.00 3.99e-86 DBJ BAB08109 "H-REV107 protein-related protein [Homo sapiens]" 100.00 164 100.00 100.00 8.23e-87 DBJ BAG35046 "unnamed protein product [Homo sapiens]" 100.00 164 100.00 100.00 8.23e-87 DBJ BAG56873 "unnamed protein product [Homo sapiens]" 100.00 156 99.20 99.20 2.73e-84 DBJ BAH22446 "PLA1/2-3 [Homo sapiens]" 100.00 164 100.00 100.00 8.23e-87 GB AAC84000 "retinoic acid receptor responder 3 [Homo sapiens]" 100.00 164 98.40 98.40 7.14e-85 GB AAF02294 "retinoid inducible gene 1 [Homo sapiens]" 100.00 164 100.00 100.00 8.23e-87 GB AAH09678 "Retinoic acid receptor responder (tazarotene induced) 3 [Homo sapiens]" 100.00 164 100.00 100.00 8.23e-87 GB ABM82370 "retinoic acid receptor responder (tazarotene induced) 3 [synthetic construct]" 100.00 164 100.00 100.00 8.23e-87 GB ABM85548 "retinoic acid receptor responder (tazarotene induced) 3 [synthetic construct]" 100.00 164 100.00 100.00 8.23e-87 REF NP_004576 "retinoic acid receptor responder protein 3 [Homo sapiens]" 100.00 164 100.00 100.00 8.23e-87 REF XP_003828577 "PREDICTED: retinoic acid receptor responder protein 3 [Pan paniscus]" 100.00 164 100.00 100.00 9.18e-87 REF XP_004051454 "PREDICTED: retinoic acid receptor responder protein 3 [Gorilla gorilla gorilla]" 100.00 164 99.20 99.20 1.22e-85 REF XP_508513 "PREDICTED: retinoic acid receptor responder protein 3 [Pan troglodytes]" 100.00 164 100.00 100.00 9.18e-87 SP Q9UL19 "RecName: Full=Retinoic acid receptor responder protein 3; AltName: Full=HRAS-like suppressor 4; Short=HRSL4; AltName: Full=RAR-" 100.00 164 100.00 100.00 8.23e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $TIG3N Human 9606 Eukaryota Metazoa Homo sapiens RARRES3 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 $TIG3N 'recombinant technology' . Escherichia coli Rosetta pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TIG3N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TIG3N 0.5 mM '[U-13C; U-15N]' DSS 0.03 '% w/v' 'natural abundance' DTT 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ 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_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $TIG3N_sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $TIG3N_sample save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $TIG3N_sample save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $TIG3N_sample save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TIG3N_sample save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $TIG3N_sample save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $TIG3N_sample save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $TIG3N_sample save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $TIG3N_sample save_ ####################### # Sample conditions # ####################### save_TIG3N_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 308 . 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_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $TIG3N_sample stop_ _Sample_conditions_label $TIG3N_condition _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TIG3N _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 3 3 SER H H 7.587 0.03 1 2 3 3 SER HA H 4.697 0.03 1 3 3 3 SER CA C 58.996 0.30 1 4 3 3 SER CB C 63.800 0.30 1 5 3 3 SER N N 113.812 0.30 1 6 4 4 PRO HA H 4.413 0.03 1 7 4 4 PRO HB2 H 2.240 0.03 2 8 4 4 PRO HB3 H 1.806 0.03 2 9 4 4 PRO CA C 63.354 0.30 1 10 4 4 PRO CB C 31.900 0.30 1 11 5 5 HIS H H 6.984 0.03 1 12 5 5 HIS HA H 4.557 0.03 1 13 5 5 HIS HB2 H 3.044 0.03 2 14 5 5 HIS HB3 H 3.091 0.03 2 15 5 5 HIS CA C 56.230 0.30 1 16 5 5 HIS CB C 30.500 0.30 1 17 6 6 GLN HA H 4.288 0.03 1 18 6 6 GLN HB2 H 1.968 0.03 2 19 6 6 GLN HB3 H 1.876 0.03 2 20 6 6 GLN HG3 H 2.190 0.03 2 21 6 6 GLN HE21 H 7.536 0.03 2 22 6 6 GLN HE22 H 6.884 0.03 2 23 6 6 GLN CA C 55.174 0.30 1 24 6 6 GLN CB C 30.042 0.30 1 25 6 6 GLN CG C 33.760 0.30 1 26 6 6 GLN NE2 N 111.914 0.30 1 27 7 7 GLU H H 8.353 0.03 1 28 7 7 GLU HA H 4.489 0.03 1 29 7 7 GLU HB2 H 1.967 0.03 2 30 7 7 GLU HB3 H 1.876 0.03 2 31 7 7 GLU HG2 H 2.347 0.03 2 32 7 7 GLU HG3 H 2.284 0.03 2 33 7 7 GLU CA C 54.111 0.30 1 34 7 7 GLU CB C 29.912 0.30 1 35 7 7 GLU CG C 35.620 0.30 1 36 7 7 GLU N N 124.477 0.30 1 37 8 8 PRO HA H 4.344 0.03 1 38 8 8 PRO HB2 H 1.653 0.03 2 39 8 8 PRO HB3 H 0.767 0.03 2 40 8 8 PRO HG2 H 1.099 0.03 2 41 8 8 PRO HG3 H 1.336 0.03 2 42 8 8 PRO HD2 H 3.693 0.03 2 43 8 8 PRO HD3 H 3.195 0.03 2 44 8 8 PRO CA C 62.398 0.30 1 45 8 8 PRO CB C 31.400 0.30 1 46 8 8 PRO CG C 26.900 0.30 1 47 8 8 PRO CD C 50.400 0.30 1 48 9 9 LYS H H 9.336 0.03 1 49 9 9 LYS HA H 4.873 0.03 1 50 9 9 LYS HB2 H 1.779 0.03 2 51 9 9 LYS HB3 H 1.831 0.03 2 52 9 9 LYS HG2 H 1.533 0.03 2 53 9 9 LYS HG3 H 1.560 0.03 2 54 9 9 LYS HD2 H 2.325 0.03 2 55 9 9 LYS HD3 H 1.754 0.03 2 56 9 9 LYS HE3 H 3.075 0.03 2 57 9 9 LYS CA C 53.151 0.30 1 58 9 9 LYS CB C 32.139 0.30 1 59 9 9 LYS CG C 24.500 0.30 1 60 9 9 LYS CD C 28.700 0.30 1 61 9 9 LYS CE C 42.260 0.30 1 62 9 9 LYS N N 122.328 0.30 1 63 10 10 PRO HA H 3.923 0.03 1 64 10 10 PRO HB2 H 1.856 0.03 2 65 10 10 PRO HB3 H 1.966 0.03 2 66 10 10 PRO HD2 H 3.737 0.03 2 67 10 10 PRO HD3 H 4.103 0.03 2 68 10 10 PRO CA C 64.534 0.30 1 69 10 10 PRO CB C 31.629 0.30 1 70 10 10 PRO CD C 50.370 0.30 1 71 11 11 GLY H H 9.359 0.03 1 72 11 11 GLY HA2 H 3.287 0.03 2 73 11 11 GLY HA3 H 4.293 0.03 2 74 11 11 GLY CA C 45.182 0.30 1 75 11 11 GLY N N 112.758 0.30 1 76 12 12 ASP H H 8.277 0.03 1 77 12 12 ASP HA H 4.870 0.03 1 78 12 12 ASP HB2 H 2.920 0.03 2 79 12 12 ASP HB3 H 2.660 0.03 2 80 12 12 ASP CA C 55.211 0.30 1 81 12 12 ASP CB C 42.946 0.30 1 82 12 12 ASP N N 120.500 0.30 1 83 13 13 LEU H H 9.103 0.03 1 84 13 13 LEU HA H 4.977 0.03 1 85 13 13 LEU HB2 H 2.730 0.03 2 86 13 13 LEU HB3 H 1.599 0.03 2 87 13 13 LEU HG H 2.157 0.03 1 88 13 13 LEU HD1 H 0.874 0.03 2 89 13 13 LEU HD2 H 1.272 0.03 2 90 13 13 LEU CA C 53.989 0.30 1 91 13 13 LEU CB C 41.198 0.30 1 92 13 13 LEU CG C 26.057 0.30 1 93 13 13 LEU CD1 C 23.470 0.30 1 94 13 13 LEU CD2 C 26.977 0.30 1 95 13 13 LEU N N 119.594 0.30 1 96 14 14 ILE H H 9.221 0.03 1 97 14 14 ILE HA H 4.610 0.03 1 98 14 14 ILE HB H 1.664 0.03 1 99 14 14 ILE HG12 H 1.189 0.03 1 100 14 14 ILE HG13 H 1.332 0.03 1 101 14 14 ILE HG2 H 0.550 0.03 1 102 14 14 ILE HD1 H 0.561 0.03 1 103 14 14 ILE CA C 58.178 0.30 1 104 14 14 ILE CB C 39.213 0.30 1 105 14 14 ILE CG1 C 26.854 0.30 1 106 14 14 ILE CG2 C 17.557 0.30 1 107 14 14 ILE CD1 C 11.980 0.30 1 108 14 14 ILE N N 121.352 0.30 1 109 15 15 GLU H H 8.625 0.03 1 110 15 15 GLU HA H 3.218 0.03 1 111 15 15 GLU HB2 H 0.068 0.03 2 112 15 15 GLU HB3 H 1.398 0.03 2 113 15 15 GLU HG2 H 0.700 0.03 2 114 15 15 GLU HG3 H 0.638 0.03 2 115 15 15 GLU CA C 54.448 0.30 1 116 15 15 GLU CB C 31.783 0.30 1 117 15 15 GLU CG C 35.153 0.30 1 118 15 15 GLU N N 129.555 0.30 1 119 16 16 ILE H H 8.557 0.03 1 120 16 16 ILE HA H 4.109 0.03 1 121 16 16 ILE HB H 1.603 0.03 1 122 16 16 ILE HG12 H 1.374 0.03 1 123 16 16 ILE HG13 H 0.500 0.03 1 124 16 16 ILE HG2 H 0.826 0.03 1 125 16 16 ILE HD1 H 0.471 0.03 1 126 16 16 ILE CA C 60.500 0.30 1 127 16 16 ILE CB C 40.401 0.30 1 128 16 16 ILE CG1 C 28.000 0.30 1 129 16 16 ILE CG2 C 18.600 0.30 1 130 16 16 ILE CD1 C 15.167 0.30 1 131 16 16 ILE N N 125.258 0.30 1 132 17 17 PHE H H 8.500 0.03 1 133 17 17 PHE HA H 4.502 0.03 1 134 17 17 PHE HB2 H 3.172 0.03 2 135 17 17 PHE HB3 H 2.897 0.03 2 136 17 17 PHE HD2 H 7.116 0.03 3 137 17 17 PHE HE2 H 6.980 0.03 3 138 17 17 PHE CA C 58.939 0.30 1 139 17 17 PHE CB C 37.496 0.30 1 140 17 17 PHE N N 127.058 0.30 1 141 18 18 ARG H H 7.686 0.03 1 142 18 18 ARG HA H 4.650 0.03 1 143 18 18 ARG HB2 H 1.528 0.03 2 144 18 18 ARG HB3 H 0.786 0.03 2 145 18 18 ARG HG2 H 1.323 0.03 2 146 18 18 ARG HG3 H 1.545 0.03 2 147 18 18 ARG HD2 H 3.131 0.03 2 148 18 18 ARG HD3 H 2.889 0.03 2 149 18 18 ARG CA C 54.596 0.30 1 150 18 18 ARG CB C 30.206 0.30 1 151 18 18 ARG CG C 27.800 0.30 1 152 18 18 ARG CD C 44.200 0.30 1 153 18 18 ARG N N 124.569 0.30 1 154 19 19 LEU H H 8.103 0.03 1 155 19 19 LEU HA H 4.424 0.03 1 156 19 19 LEU HB2 H 1.837 0.03 2 157 19 19 LEU HB3 H 1.599 0.03 2 158 19 19 LEU HG H 1.609 0.03 1 159 19 19 LEU HD1 H 0.916 0.03 2 160 19 19 LEU HD2 H 0.950 0.03 2 161 19 19 LEU CA C 56.123 0.30 1 162 19 19 LEU CB C 40.296 0.30 1 163 19 19 LEU CG C 27.148 0.30 1 164 19 19 LEU CD1 C 24.700 0.30 1 165 19 19 LEU CD2 C 24.227 0.30 1 166 19 19 LEU N N 121.049 0.30 1 167 20 20 GLY H H 8.686 0.03 1 168 20 20 GLY HA2 H 4.345 0.03 2 169 20 20 GLY HA3 H 3.780 0.03 2 170 20 20 GLY CA C 45.736 0.30 1 171 20 20 GLY N N 115.623 0.30 1 172 21 21 TYR H H 7.433 0.03 1 173 21 21 TYR HA H 4.760 0.03 1 174 21 21 TYR HB2 H 3.376 0.03 2 175 21 21 TYR HB3 H 3.029 0.03 2 176 21 21 TYR HD1 H 7.064 0.03 3 177 21 21 TYR CA C 56.507 0.30 1 178 21 21 TYR CB C 38.631 0.30 1 179 21 21 TYR N N 115.905 0.30 1 180 22 22 GLU H H 8.139 0.03 1 181 22 22 GLU HA H 5.160 0.03 1 182 22 22 GLU HB2 H 2.279 0.03 2 183 22 22 GLU HB3 H 1.496 0.03 2 184 22 22 GLU HG2 H 1.852 0.03 2 185 22 22 GLU HG3 H 2.448 0.03 2 186 22 22 GLU CA C 56.255 0.30 1 187 22 22 GLU CB C 32.167 0.30 1 188 22 22 GLU CG C 38.627 0.30 1 189 22 22 GLU N N 116.649 0.30 1 190 23 23 HIS H H 8.943 0.03 1 191 23 23 HIS HA H 5.588 0.03 1 192 23 23 HIS HB2 H 3.005 0.03 2 193 23 23 HIS HB3 H 2.650 0.03 2 194 23 23 HIS HD2 H 6.882 0.03 1 195 23 23 HIS CA C 54.161 0.30 1 196 23 23 HIS CB C 34.370 0.30 1 197 23 23 HIS N N 122.171 0.30 1 198 24 24 TRP H H 6.764 0.03 1 199 24 24 TRP HA H 5.697 0.03 1 200 24 24 TRP HB2 H 2.548 0.03 2 201 24 24 TRP HB3 H 3.281 0.03 2 202 24 24 TRP HD1 H 7.425 0.03 1 203 24 24 TRP HE1 H 10.130 0.03 1 204 24 24 TRP HZ3 H 6.452 0.03 1 205 24 24 TRP CA C 55.906 0.30 1 206 24 24 TRP CB C 33.156 0.30 1 207 24 24 TRP N N 124.412 0.30 1 208 24 24 TRP NE1 N 130.336 0.30 1 209 25 25 ALA H H 9.336 0.03 1 210 25 25 ALA HA H 4.861 0.03 1 211 25 25 ALA HB H 1.086 0.03 1 212 25 25 ALA CA C 50.352 0.30 1 213 25 25 ALA CB C 22.953 0.30 1 214 25 25 ALA N N 121.149 0.30 1 215 26 26 LEU H H 8.835 0.03 1 216 26 26 LEU HA H 5.260 0.03 1 217 26 26 LEU HB2 H 1.945 0.03 2 218 26 26 LEU HB3 H 1.271 0.03 2 219 26 26 LEU HG H 0.602 0.03 1 220 26 26 LEU HD1 H 0.728 0.03 2 221 26 26 LEU HD2 H 1.337 0.03 2 222 26 26 LEU CA C 53.641 0.30 1 223 26 26 LEU CB C 45.421 0.30 1 224 26 26 LEU CG C 27.700 0.30 1 225 26 26 LEU CD1 C 25.782 0.30 1 226 26 26 LEU CD2 C 26.900 0.30 1 227 26 26 LEU N N 122.472 0.30 1 228 27 27 TYR H H 9.750 0.03 1 229 27 27 TYR HA H 4.752 0.03 1 230 27 27 TYR HB2 H 2.745 0.03 2 231 27 27 TYR HB3 H 3.224 0.03 2 232 27 27 TYR HD2 H 6.761 0.03 3 233 27 27 TYR HE2 H 7.170 0.03 3 234 27 27 TYR CA C 59.802 0.30 1 235 27 27 TYR CB C 38.670 0.30 1 236 27 27 TYR N N 128.215 0.30 1 237 28 28 ILE H H 8.196 0.03 1 238 28 28 ILE HA H 4.573 0.03 1 239 28 28 ILE HB H 2.076 0.03 1 240 28 28 ILE HG12 H 1.309 0.03 1 241 28 28 ILE HG13 H 0.659 0.03 1 242 28 28 ILE HG2 H 0.807 0.03 1 243 28 28 ILE HD1 H 0.692 0.03 1 244 28 28 ILE CA C 60.818 0.30 1 245 28 28 ILE CB C 38.900 0.30 1 246 28 28 ILE CG1 C 26.950 0.30 1 247 28 28 ILE CG2 C 18.354 0.30 1 248 28 28 ILE CD1 C 14.052 0.30 1 249 28 28 ILE N N 119.796 0.30 1 250 29 29 GLY H H 6.584 0.03 1 251 29 29 GLY HA2 H 4.562 0.03 2 252 29 29 GLY HA3 H 3.540 0.03 2 253 29 29 GLY CA C 44.000 0.30 1 254 30 30 ASP H H 6.837 0.03 1 255 30 30 ASP HA H 4.422 0.03 1 256 30 30 ASP HB2 H 2.728 0.03 2 257 30 30 ASP HB3 H 3.073 0.03 2 258 30 30 ASP CA C 55.640 0.30 1 259 30 30 ASP CB C 40.253 0.30 1 260 31 31 GLY H H 8.120 0.03 1 261 31 31 GLY HA2 H 3.906 0.03 2 262 31 31 GLY HA3 H 4.254 0.03 2 263 31 31 GLY CA C 45.538 0.30 1 264 31 31 GLY N N 100.004 0.30 1 265 32 32 TYR H H 7.843 0.03 1 266 32 32 TYR HA H 4.930 0.03 1 267 32 32 TYR HB2 H 2.828 0.03 2 268 32 32 TYR HB3 H 2.602 0.03 2 269 32 32 TYR HD1 H 6.854 0.03 3 270 32 32 TYR CA C 58.788 0.30 1 271 32 32 TYR CB C 41.995 0.30 1 272 32 32 TYR N N 120.196 0.30 1 273 33 33 VAL H H 9.242 0.03 1 274 33 33 VAL HA H 5.466 0.03 1 275 33 33 VAL HB H 2.024 0.03 1 276 33 33 VAL HG1 H 0.789 0.03 2 277 33 33 VAL HG2 H 0.429 0.03 2 278 33 33 VAL CA C 57.460 0.30 1 279 33 33 VAL CB C 35.157 0.30 1 280 33 33 VAL CG1 C 23.200 0.30 1 281 33 33 VAL CG2 C 18.885 0.30 1 282 33 33 VAL N N 109.892 0.30 1 283 34 34 ILE H H 9.084 0.03 1 284 34 34 ILE HA H 5.555 0.03 1 285 34 34 ILE HB H 1.454 0.03 1 286 34 34 ILE HG12 H 1.686 0.03 1 287 34 34 ILE HG13 H 1.076 0.03 1 288 34 34 ILE HG2 H 0.945 0.03 1 289 34 34 ILE HD1 H 0.779 0.03 1 290 34 34 ILE CA C 60.331 0.30 1 291 34 34 ILE CB C 40.932 0.30 1 292 34 34 ILE CG1 C 29.510 0.30 1 293 34 34 ILE CG2 C 17.557 0.30 1 294 34 34 ILE CD1 C 14.104 0.30 1 295 34 34 ILE N N 119.424 0.30 1 296 35 35 HIS H H 9.110 0.03 1 297 35 35 HIS HA H 5.158 0.03 1 298 35 35 HIS HB2 H 3.440 0.03 2 299 35 35 HIS HB3 H 3.511 0.03 2 300 35 35 HIS HD2 H 7.100 0.03 1 301 35 35 HIS CA C 54.218 0.30 1 302 35 35 HIS CB C 35.000 0.30 1 303 35 35 HIS N N 123.118 0.30 1 304 36 36 LEU H H 8.991 0.03 1 305 36 36 LEU HA H 4.084 0.03 1 306 36 36 LEU HB2 H 1.876 0.03 2 307 36 36 LEU HB3 H 0.783 0.03 2 308 36 36 LEU HG H 1.168 0.03 1 309 36 36 LEU HD1 H 0.415 0.03 2 310 36 36 LEU HD2 H 0.652 0.03 2 311 36 36 LEU CA C 53.682 0.30 1 312 36 36 LEU CB C 41.631 0.30 1 313 36 36 LEU CD1 C 24.100 0.30 1 314 36 36 LEU CD2 C 25.400 0.30 1 315 36 36 LEU N N 123.704 0.30 1 316 37 37 ALA H H 8.050 0.03 1 317 37 37 ALA HA H 4.327 0.03 1 318 37 37 ALA HB H 1.055 0.03 1 319 37 37 ALA CA C 49.698 0.30 1 320 37 37 ALA CB C 19.428 0.30 1 321 37 37 ALA N N 129.765 0.30 1 322 38 38 PRO HA H 4.004 0.03 1 323 38 38 PRO HB2 H 1.706 0.03 2 324 38 38 PRO HB3 H 1.600 0.03 2 325 38 38 PRO HG2 H 1.758 0.03 2 326 38 38 PRO HG3 H 1.602 0.03 2 327 38 38 PRO HD2 H 3.734 0.03 2 328 38 38 PRO HD3 H 3.476 0.03 2 329 38 38 PRO CA C 60.800 0.30 1 330 38 38 PRO CB C 30.528 0.30 1 331 38 38 PRO CG C 27.000 0.30 1 332 38 38 PRO CD C 50.200 0.30 1 333 39 39 PRO HA H 4.374 0.03 1 334 39 39 PRO HB2 H 2.228 0.03 2 335 39 39 PRO HG2 H 1.810 0.03 2 336 39 39 PRO HG3 H 1.882 0.03 2 337 39 39 PRO HD2 H 3.155 0.03 2 338 39 39 PRO HD3 H 3.048 0.03 2 339 39 39 PRO CA C 62.900 0.30 1 340 39 39 PRO CB C 32.000 0.30 1 341 39 39 PRO CG C 27.300 0.30 1 342 39 39 PRO CD C 49.950 0.30 1 343 40 40 SER H H 8.184 0.03 1 344 40 40 SER HA H 4.326 0.03 1 345 40 40 SER HB2 H 3.762 0.03 2 346 40 40 SER HB3 H 3.822 0.03 2 347 40 40 SER CA C 58.700 0.30 1 348 40 40 SER CB C 64.004 0.30 1 349 40 40 SER N N 114.906 0.30 1 350 41 41 GLU H H 8.401 0.03 1 351 41 41 GLU HA H 4.261 0.03 1 352 41 41 GLU HB2 H 1.831 0.03 2 353 41 41 GLU HB3 H 1.950 0.03 2 354 41 41 GLU HG3 H 2.145 0.03 2 355 41 41 GLU CA C 56.424 0.30 1 356 41 41 GLU CB C 30.514 0.30 1 357 41 41 GLU CG C 36.270 0.30 1 358 41 41 GLU N N 121.221 0.30 1 359 42 42 TYR H H 8.117 0.03 1 360 42 42 TYR HA H 4.780 0.03 1 361 42 42 TYR HB2 H 2.880 0.03 2 362 42 42 TYR HB3 H 3.029 0.03 2 363 42 42 TYR HD2 H 7.118 0.03 3 364 42 42 TYR CA C 55.700 0.30 1 365 42 42 TYR CB C 38.400 0.30 1 366 42 42 TYR N N 121.900 0.30 1 367 43 43 PRO HA H 4.403 0.03 1 368 43 43 PRO HB2 H 2.213 0.03 2 369 43 43 PRO HB3 H 1.914 0.03 2 370 43 43 PRO HG2 H 1.958 0.03 2 371 43 43 PRO HD2 H 3.444 0.03 2 372 43 43 PRO HD3 H 3.735 0.03 2 373 43 43 PRO CA C 63.480 0.30 1 374 43 43 PRO CB C 31.800 0.30 1 375 43 43 PRO CG C 27.330 0.30 1 376 43 43 PRO CD C 50.700 0.30 1 377 44 44 GLY H H 8.001 0.03 1 378 44 44 GLY HA3 H 3.927 0.03 2 379 44 44 GLY CA C 45.244 0.30 1 380 44 44 GLY N N 109.030 0.30 1 381 45 45 ALA H H 8.082 0.03 1 382 45 45 ALA HA H 4.312 0.03 1 383 45 45 ALA HB H 1.370 0.03 1 384 45 45 ALA CA C 52.853 0.30 1 385 45 45 ALA CB C 19.322 0.30 1 386 45 45 ALA N N 123.500 0.30 1 387 46 46 GLY H H 8.408 0.03 1 388 46 46 GLY HA2 H 4.003 0.03 2 389 46 46 GLY HA3 H 3.956 0.03 2 390 46 46 GLY CA C 45.460 0.30 1 391 46 46 GLY N N 108.151 0.30 1 392 48 48 SER H H 8.044 0.03 1 393 48 48 SER HA H 4.700 0.03 1 394 48 48 SER N N 116.904 0.30 1 395 49 49 SER HA H 4.456 0.03 1 396 49 49 SER HB3 H 3.826 0.03 2 397 49 49 SER CA C 58.713 0.30 1 398 49 49 SER CB C 64.000 0.30 1 399 50 50 VAL H H 7.890 0.03 1 400 50 50 VAL HA H 4.033 0.03 1 401 50 50 VAL HB H 1.978 0.03 1 402 50 50 VAL HG1 H 0.766 0.03 2 403 50 50 VAL HG2 H 0.771 0.03 2 404 50 50 VAL CA C 62.816 0.30 1 405 50 50 VAL CB C 32.416 0.30 1 406 50 50 VAL CG1 C 20.974 0.30 1 407 50 50 VAL CG2 C 20.270 0.30 1 408 50 50 VAL N N 120.352 0.30 1 409 51 51 PHE H H 7.989 0.03 1 410 51 51 PHE HA H 4.576 0.03 1 411 51 51 PHE HB2 H 2.971 0.03 2 412 51 51 PHE HB3 H 3.153 0.03 2 413 51 51 PHE HD1 H 7.200 0.03 3 414 51 51 PHE CA C 58.198 0.30 1 415 51 51 PHE CB C 39.470 0.30 1 416 51 51 PHE N N 121.600 0.30 1 417 52 52 SER H H 8.018 0.03 1 418 52 52 SER HA H 4.429 0.03 1 419 52 52 SER HB3 H 3.819 0.03 2 420 52 52 SER C C 174.445 0.30 1 421 52 52 SER CA C 58.365 0.30 1 422 52 52 SER CB C 64.018 0.30 1 423 52 52 SER N N 116.521 0.30 1 424 53 53 VAL H H 7.959 0.03 1 425 53 53 VAL HA H 4.103 0.03 1 426 53 53 VAL HB H 2.126 0.03 1 427 53 53 VAL HG2 H 0.926 0.03 2 428 53 53 VAL CA C 62.979 0.30 1 429 53 53 VAL CB C 32.416 0.30 1 430 53 53 VAL CG2 C 20.479 0.30 1 431 53 53 VAL N N 120.571 0.30 1 432 54 54 LEU H H 8.095 0.03 1 433 54 54 LEU HA H 4.366 0.03 1 434 54 54 LEU HB2 H 1.635 0.03 2 435 54 54 LEU HB3 H 1.576 0.03 2 436 54 54 LEU HG H 1.616 0.03 1 437 54 54 LEU HD1 H 0.835 0.03 2 438 54 54 LEU HD2 H 0.880 0.03 2 439 54 54 LEU CA C 55.500 0.30 1 440 54 54 LEU CB C 42.293 0.30 1 441 54 54 LEU CG C 27.060 0.30 1 442 54 54 LEU CD1 C 23.401 0.30 1 443 54 54 LEU CD2 C 24.945 0.30 1 444 54 54 LEU N N 123.703 0.30 1 445 55 55 SER H H 8.063 0.03 1 446 55 55 SER HA H 4.399 0.03 1 447 55 55 SER HB3 H 3.890 0.03 2 448 55 55 SER CA C 58.365 0.30 1 449 55 55 SER CB C 64.110 0.30 1 450 55 55 SER N N 115.309 0.30 1 451 56 56 ASN HA H 4.918 0.03 1 452 56 56 ASN HB2 H 2.873 0.03 2 453 56 56 ASN HD21 H 7.528 0.03 2 454 56 56 ASN HD22 H 6.828 0.03 2 455 56 56 ASN CA C 53.151 0.30 1 456 56 56 ASN CB C 39.339 0.30 1 457 56 56 ASN ND2 N 112.563 0.30 1 458 57 57 SER H H 8.065 0.03 1 459 57 57 SER HA H 4.694 0.03 1 460 57 57 SER HB2 H 3.698 0.03 2 461 57 57 SER HB3 H 3.766 0.03 2 462 57 57 SER CA C 58.307 0.30 1 463 57 57 SER CB C 64.838 0.30 1 464 57 57 SER N N 115.102 0.30 1 465 58 58 ALA H H 8.548 0.03 1 466 58 58 ALA HA H 4.494 0.03 1 467 58 58 ALA HB H 1.113 0.03 1 468 58 58 ALA CA C 51.281 0.30 1 469 58 58 ALA CB C 22.479 0.30 1 470 58 58 ALA N N 125.610 0.30 1 471 59 59 GLU H H 8.116 0.03 1 472 59 59 GLU HA H 5.033 0.03 1 473 59 59 GLU HB2 H 1.676 0.03 2 474 59 59 GLU HB3 H 1.714 0.03 2 475 59 59 GLU HG3 H 1.904 0.03 2 476 59 59 GLU CA C 54.004 0.30 1 477 59 59 GLU CB C 34.292 0.30 1 478 59 59 GLU CG C 36.272 0.30 1 479 59 59 GLU N N 120.190 0.30 1 480 60 60 VAL H H 8.531 0.03 1 481 60 60 VAL HA H 4.338 0.03 1 482 60 60 VAL HB H 2.327 0.03 1 483 60 60 VAL HG1 H 0.776 0.03 2 484 60 60 VAL HG2 H 0.487 0.03 2 485 60 60 VAL CA C 62.784 0.30 1 486 60 60 VAL CB C 30.756 0.30 1 487 60 60 VAL CG2 C 22.334 0.30 1 488 60 60 VAL N N 125.380 0.30 1 489 61 61 LYS H H 9.068 0.03 1 490 61 61 LYS HA H 4.900 0.03 1 491 61 61 LYS HB2 H 1.799 0.03 2 492 61 61 LYS HB3 H 1.477 0.03 2 493 61 61 LYS HG2 H 1.244 0.03 2 494 61 61 LYS HG3 H 1.401 0.03 2 495 61 61 LYS HD2 H 1.470 0.03 2 496 61 61 LYS HD3 H 1.521 0.03 2 497 61 61 LYS HE3 H 2.794 0.03 2 498 61 61 LYS CA C 55.584 0.30 1 499 61 61 LYS CB C 38.034 0.30 1 500 61 61 LYS CG C 25.370 0.30 1 501 61 61 LYS CD C 29.419 0.30 1 502 61 61 LYS CE C 42.244 0.30 1 503 61 61 LYS N N 129.548 0.30 1 504 62 62 ARG H H 8.749 0.03 1 505 62 62 ARG HA H 5.702 0.03 1 506 62 62 ARG HB2 H 1.976 0.03 2 507 62 62 ARG HB3 H 1.426 0.03 2 508 62 62 ARG HG2 H 1.427 0.03 2 509 62 62 ARG HG3 H 1.302 0.03 2 510 62 62 ARG HD2 H 2.880 0.03 2 511 62 62 ARG HD3 H 2.820 0.03 2 512 62 62 ARG CA C 54.386 0.30 1 513 62 62 ARG CB C 31.958 0.30 1 514 62 62 ARG CG C 27.917 0.30 1 515 62 62 ARG CD C 43.440 0.30 1 516 62 62 ARG N N 123.653 0.30 1 517 63 63 GLU H H 8.973 0.03 1 518 63 63 GLU HA H 4.998 0.03 1 519 63 63 GLU HB2 H 2.202 0.03 2 520 63 63 GLU HB3 H 1.625 0.03 2 521 63 63 GLU HG2 H 2.203 0.03 2 522 63 63 GLU HG3 H 2.387 0.03 2 523 63 63 GLU CA C 54.878 0.30 1 524 63 63 GLU CB C 36.983 0.30 1 525 63 63 GLU CG C 39.356 0.30 1 526 63 63 GLU N N 125.033 0.30 1 527 64 64 ARG H H 9.273 0.03 1 528 64 64 ARG HA H 3.900 0.03 1 529 64 64 ARG HB2 H 1.777 0.03 2 530 64 64 ARG HB3 H 1.710 0.03 2 531 64 64 ARG HG2 H 1.065 0.03 2 532 64 64 ARG HG3 H 1.659 0.03 2 533 64 64 ARG HD2 H 2.980 0.03 2 534 64 64 ARG HD3 H 3.080 0.03 2 535 64 64 ARG CA C 56.900 0.30 1 536 64 64 ARG CB C 29.546 0.30 1 537 64 64 ARG CG C 28.000 0.30 1 538 64 64 ARG CD C 42.800 0.30 1 539 64 64 ARG N N 121.855 0.30 1 540 65 65 LEU H H 8.823 0.03 1 541 65 65 LEU HA H 3.570 0.03 1 542 65 65 LEU HB2 H 1.785 0.03 2 543 65 65 LEU HB3 H 1.157 0.03 2 544 65 65 LEU HG H 1.149 0.03 1 545 65 65 LEU HD1 H 0.375 0.03 2 546 65 65 LEU HD2 H 0.590 0.03 2 547 65 65 LEU CA C 59.010 0.30 1 548 65 65 LEU CB C 41.723 0.30 1 549 65 65 LEU CG C 26.588 0.30 1 550 65 65 LEU CD1 C 24.800 0.30 1 551 65 65 LEU CD2 C 25.436 0.30 1 552 65 65 LEU N N 124.611 0.30 1 553 66 66 GLU H H 9.360 0.03 1 554 66 66 GLU HA H 3.835 0.03 1 555 66 66 GLU HB2 H 1.907 0.03 2 556 66 66 GLU HG3 H 2.215 0.03 2 557 66 66 GLU CA C 59.654 0.30 1 558 66 66 GLU CB C 29.160 0.30 1 559 66 66 GLU CG C 35.853 0.30 1 560 66 66 GLU N N 115.188 0.30 1 561 67 67 ASP H H 6.806 0.03 1 562 67 67 ASP HA H 4.460 0.03 1 563 67 67 ASP HB2 H 2.707 0.03 2 564 67 67 ASP HB3 H 2.765 0.03 2 565 67 67 ASP CA C 56.567 0.30 1 566 67 67 ASP CB C 40.670 0.30 1 567 67 67 ASP N N 118.590 0.30 1 568 68 68 VAL H H 7.414 0.03 1 569 68 68 VAL HA H 3.616 0.03 1 570 68 68 VAL HB H 1.558 0.03 1 571 68 68 VAL HG1 H 0.447 0.03 2 572 68 68 VAL HG2 H 0.434 0.03 2 573 68 68 VAL CA C 65.070 0.30 1 574 68 68 VAL CB C 32.167 0.30 1 575 68 68 VAL CG1 C 21.010 0.30 1 576 68 68 VAL CG2 C 22.870 0.30 1 577 68 68 VAL N N 119.985 0.30 1 578 69 69 VAL H H 8.261 0.03 1 579 69 69 VAL HA H 3.502 0.03 1 580 69 69 VAL HB H 1.850 0.03 1 581 69 69 VAL HG1 H 0.443 0.03 2 582 69 69 VAL HG2 H 0.597 0.03 2 583 69 69 VAL CA C 65.337 0.30 1 584 69 69 VAL CB C 32.036 0.30 1 585 69 69 VAL CG1 C 21.385 0.30 1 586 69 69 VAL CG2 C 22.500 0.30 1 587 69 69 VAL N N 116.972 0.30 1 588 70 70 GLY H H 7.395 0.03 1 589 70 70 GLY HA2 H 3.933 0.03 2 590 70 70 GLY HA3 H 3.747 0.03 2 591 70 70 GLY CA C 47.610 0.30 1 592 70 70 GLY N N 107.311 0.30 1 593 71 71 GLY H H 8.831 0.03 1 594 71 71 GLY HA3 H 3.987 0.03 2 595 71 71 GLY CA C 45.176 0.30 1 596 71 71 GLY N N 110.582 0.30 1 597 72 72 CYS H H 7.613 0.03 1 598 72 72 CYS HA H 4.498 0.03 1 599 72 72 CYS HB2 H 3.229 0.03 2 600 72 72 CYS HB3 H 2.918 0.03 2 601 72 72 CYS CA C 60.154 0.30 1 602 72 72 CYS CB C 29.295 0.30 1 603 72 72 CYS N N 118.742 0.30 1 604 73 73 CYS H H 9.007 0.03 1 605 73 73 CYS HA H 4.531 0.03 1 606 73 73 CYS HB3 H 2.948 0.03 2 607 73 73 CYS CA C 59.792 0.30 1 608 73 73 CYS CB C 28.046 0.30 1 609 73 73 CYS N N 120.205 0.30 1 610 74 74 TYR H H 8.141 0.03 1 611 74 74 TYR HA H 5.597 0.03 1 612 74 74 TYR HB2 H 2.680 0.03 2 613 74 74 TYR HB3 H 2.614 0.03 2 614 74 74 TYR HD1 H 6.800 0.03 3 615 74 74 TYR HE1 H 6.592 0.03 3 616 74 74 TYR CA C 55.590 0.30 1 617 74 74 TYR CB C 41.876 0.30 1 618 74 74 TYR N N 119.008 0.30 1 619 75 75 ARG H H 9.008 0.03 1 620 75 75 ARG HA H 4.639 0.03 1 621 75 75 ARG HB2 H 1.868 0.03 2 622 75 75 ARG HG2 H 1.330 0.03 2 623 75 75 ARG HG3 H 1.632 0.03 2 624 75 75 ARG HD2 H 3.171 0.03 2 625 75 75 ARG HD3 H 3.087 0.03 2 626 75 75 ARG HE H 7.429 0.03 1 627 75 75 ARG CA C 53.995 0.30 1 628 75 75 ARG CB C 33.235 0.30 1 629 75 75 ARG CG C 25.577 0.30 1 630 75 75 ARG CD C 43.872 0.30 1 631 75 75 ARG N N 115.457 0.30 1 632 75 75 ARG NE N 84.436 0.30 1 633 76 76 VAL H H 8.511 0.03 1 634 76 76 VAL HA H 4.563 0.03 1 635 76 76 VAL HB H 1.851 0.03 1 636 76 76 VAL HG1 H 0.874 0.03 2 637 76 76 VAL HG2 H 0.962 0.03 2 638 76 76 VAL CA C 62.968 0.30 1 639 76 76 VAL CB C 31.965 0.30 1 640 76 76 VAL CG1 C 21.870 0.30 1 641 76 76 VAL CG2 C 20.600 0.30 1 642 76 76 VAL N N 123.071 0.30 1 643 77 77 ASN H H 8.824 0.03 1 644 77 77 ASN HA H 4.855 0.03 1 645 77 77 ASN HB2 H 3.226 0.03 2 646 77 77 ASN HB3 H 2.359 0.03 2 647 77 77 ASN HD21 H 7.162 0.03 2 648 77 77 ASN HD22 H 8.013 0.03 2 649 77 77 ASN CA C 52.072 0.30 1 650 77 77 ASN CB C 38.640 0.30 1 651 77 77 ASN N N 126.125 0.30 1 652 77 77 ASN ND2 N 111.977 0.30 1 653 78 78 ASN H H 8.685 0.03 1 654 78 78 ASN HA H 5.346 0.03 1 655 78 78 ASN HB2 H 3.169 0.03 2 656 78 78 ASN HB3 H 2.632 0.03 2 657 78 78 ASN HD22 H 7.010 0.03 2 658 78 78 ASN CA C 52.124 0.30 1 659 78 78 ASN CB C 36.948 0.30 1 660 78 78 ASN N N 124.269 0.30 1 661 78 78 ASN ND2 N 110.219 0.30 1 662 79 79 SER H H 8.109 0.03 1 663 79 79 SER HA H 4.112 0.03 1 664 79 79 SER HB2 H 4.023 0.03 2 665 79 79 SER HB3 H 3.985 0.03 2 666 79 79 SER CA C 62.669 0.30 1 667 79 79 SER CB C 63.727 0.30 1 668 79 79 SER N N 117.959 0.30 1 669 80 80 LEU H H 7.947 0.03 1 670 80 80 LEU HA H 4.470 0.03 1 671 80 80 LEU HB2 H 1.104 0.03 2 672 80 80 LEU HB3 H 1.180 0.03 2 673 80 80 LEU HG H 1.494 0.03 1 674 80 80 LEU HD1 H 0.648 0.03 2 675 80 80 LEU HD2 H 0.674 0.03 2 676 80 80 LEU CA C 55.542 0.30 1 677 80 80 LEU CB C 41.500 0.30 1 678 80 80 LEU CG C 26.800 0.30 1 679 80 80 LEU CD1 C 25.159 0.30 1 680 80 80 LEU CD2 C 23.135 0.30 1 681 80 80 LEU N N 121.272 0.30 1 682 81 81 ASP H H 8.294 0.03 1 683 81 81 ASP HA H 5.090 0.03 1 684 81 81 ASP HB2 H 2.935 0.03 2 685 81 81 ASP HB3 H 2.799 0.03 2 686 81 81 ASP CA C 56.604 0.30 1 687 81 81 ASP CB C 40.300 0.30 1 688 81 81 ASP N N 121.692 0.30 1 689 82 82 HIS HA H 4.455 0.03 1 690 82 82 HIS HB2 H 3.128 0.03 2 691 82 82 HIS HB3 H 3.177 0.03 2 692 82 82 HIS HD2 H 7.140 0.03 1 693 82 82 HIS CA C 57.900 0.30 1 694 82 82 HIS CB C 29.766 0.30 1 695 83 83 GLU H H 7.476 0.03 1 696 83 83 GLU HA H 4.153 0.03 1 697 83 83 GLU HB3 H 1.288 0.03 2 698 83 83 GLU HG2 H 1.619 0.03 2 699 83 83 GLU HG3 H 1.654 0.03 2 700 83 83 GLU CA C 56.870 0.30 1 701 83 83 GLU CB C 32.422 0.30 1 702 83 83 GLU CG C 35.533 0.30 1 703 83 83 GLU N N 118.940 0.30 1 704 84 84 TYR H H 8.207 0.03 1 705 84 84 TYR HA H 4.766 0.03 1 706 84 84 TYR HB2 H 2.993 0.03 2 707 84 84 TYR HB3 H 2.123 0.03 2 708 84 84 TYR HE2 H 6.752 0.03 3 709 84 84 TYR HH H 6.651 0.03 1 710 84 84 TYR CA C 54.923 0.30 1 711 84 84 TYR CB C 41.224 0.30 1 712 84 84 TYR N N 119.225 0.30 1 713 85 85 GLN H H 8.264 0.03 1 714 85 85 GLN HA H 4.798 0.03 1 715 85 85 GLN HB3 H 2.062 0.03 2 716 85 85 GLN HG3 H 2.482 0.03 2 717 85 85 GLN HE21 H 7.612 0.03 2 718 85 85 GLN HE22 H 6.869 0.03 2 719 85 85 GLN CA C 53.203 0.30 1 720 85 85 GLN CB C 29.366 0.30 1 721 85 85 GLN CG C 33.600 0.30 1 722 85 85 GLN N N 119.667 0.30 1 723 85 85 GLN NE2 N 112.758 0.30 1 724 86 86 PRO HA H 4.422 0.03 1 725 86 86 PRO HB2 H 1.974 0.03 2 726 86 86 PRO HB3 H 1.863 0.03 2 727 86 86 PRO HG3 H 2.107 0.03 2 728 86 86 PRO HD2 H 3.905 0.03 2 729 86 86 PRO HD3 H 4.125 0.03 2 730 86 86 PRO CA C 62.611 0.30 1 731 86 86 PRO CB C 31.850 0.30 1 732 86 86 PRO CG C 27.651 0.30 1 733 86 86 PRO CD C 50.900 0.30 1 734 87 87 ARG H H 8.254 0.03 1 735 87 87 ARG HA H 4.405 0.03 1 736 87 87 ARG HB3 H 1.689 0.03 2 737 87 87 ARG HG2 H 1.697 0.03 2 738 87 87 ARG HG3 H 1.621 0.03 2 739 87 87 ARG HD2 H 2.986 0.03 2 740 87 87 ARG HD3 H 3.060 0.03 2 741 87 87 ARG CA C 55.600 0.30 1 742 87 87 ARG CB C 29.301 0.30 1 743 87 87 ARG CG C 27.300 0.30 1 744 87 87 ARG CD C 44.651 0.30 1 745 87 87 ARG N N 121.150 0.30 1 746 88 88 PRO HA H 4.447 0.03 1 747 88 88 PRO HB2 H 2.550 0.03 2 748 88 88 PRO HB3 H 1.758 0.03 2 749 88 88 PRO HG2 H 2.087 0.03 2 750 88 88 PRO HG3 H 2.185 0.03 2 751 88 88 PRO HD2 H 3.364 0.03 2 752 88 88 PRO HD3 H 3.925 0.03 2 753 88 88 PRO CA C 62.979 0.30 1 754 88 88 PRO CB C 32.270 0.30 1 755 88 88 PRO CG C 28.500 0.30 1 756 88 88 PRO CD C 49.964 0.30 1 757 89 89 VAL H H 8.678 0.03 1 758 89 89 VAL HA H 3.501 0.03 1 759 89 89 VAL HB H 2.056 0.03 1 760 89 89 VAL HG1 H 1.107 0.03 2 761 89 89 VAL HG2 H 0.902 0.03 2 762 89 89 VAL CA C 67.411 0.30 1 763 89 89 VAL CB C 31.635 0.30 1 764 89 89 VAL CG1 C 22.870 0.30 1 765 89 89 VAL CG2 C 21.254 0.30 1 766 89 89 VAL N N 125.682 0.30 1 767 90 90 GLU H H 9.318 0.03 1 768 90 90 GLU HA H 4.027 0.03 1 769 90 90 GLU HB2 H 2.017 0.03 2 770 90 90 GLU HG3 H 2.337 0.03 2 771 90 90 GLU CA C 60.015 0.30 1 772 90 90 GLU CB C 28.633 0.30 1 773 90 90 GLU CG C 36.370 0.30 1 774 90 90 GLU N N 117.092 0.30 1 775 91 91 VAL H H 7.153 0.03 1 776 91 91 VAL HA H 3.864 0.03 1 777 91 91 VAL HB H 2.197 0.03 1 778 91 91 VAL HG1 H 1.039 0.03 2 779 91 91 VAL HG2 H 0.901 0.03 2 780 91 91 VAL CA C 65.000 0.30 1 781 91 91 VAL CB C 31.901 0.30 1 782 91 91 VAL CG1 C 22.160 0.30 1 783 91 91 VAL CG2 C 19.848 0.30 1 784 91 91 VAL N N 119.967 0.30 1 785 92 92 ILE H H 8.004 0.03 1 786 92 92 ILE HA H 3.310 0.03 1 787 92 92 ILE HB H 1.963 0.03 1 788 92 92 ILE HG12 H 1.684 0.03 1 789 92 92 ILE HG13 H 1.179 0.03 1 790 92 92 ILE HG2 H 0.725 0.03 1 791 92 92 ILE HD1 H 0.943 0.03 1 792 92 92 ILE CA C 66.711 0.30 1 793 92 92 ILE CB C 38.563 0.30 1 794 92 92 ILE CG1 C 27.017 0.30 1 795 92 92 ILE CG2 C 18.000 0.30 1 796 92 92 ILE CD1 C 14.355 0.30 1 797 92 92 ILE N N 122.669 0.30 1 798 93 93 ILE H H 8.305 0.03 1 799 93 93 ILE HA H 3.532 0.03 1 800 93 93 ILE HB H 1.905 0.03 1 801 93 93 ILE HG12 H 1.633 0.03 1 802 93 93 ILE HG13 H 1.300 0.03 1 803 93 93 ILE HG2 H 0.905 0.03 1 804 93 93 ILE HD1 H 0.808 0.03 1 805 93 93 ILE CA C 65.085 0.30 1 806 93 93 ILE CB C 37.163 0.30 1 807 93 93 ILE CG1 C 28.448 0.30 1 808 93 93 ILE CG2 C 17.823 0.30 1 809 93 93 ILE CD1 C 12.776 0.30 1 810 93 93 ILE N N 115.049 0.30 1 811 94 94 SER H H 7.927 0.03 1 812 94 94 SER HA H 4.101 0.03 1 813 94 94 SER HB3 H 3.969 0.03 2 814 94 94 SER CA C 62.300 0.30 1 815 94 94 SER N N 115.196 0.30 1 816 95 95 SER H H 8.174 0.03 1 817 95 95 SER HA H 4.209 0.03 1 818 95 95 SER HB2 H 3.823 0.03 2 819 95 95 SER HB3 H 3.953 0.03 2 820 95 95 SER CA C 62.100 0.30 1 821 95 95 SER CB C 62.714 0.30 1 822 95 95 SER N N 117.891 0.30 1 823 96 96 ALA H H 8.110 0.03 1 824 96 96 ALA HA H 3.891 0.03 1 825 96 96 ALA HB H 1.371 0.03 1 826 96 96 ALA CA C 55.276 0.30 1 827 96 96 ALA CB C 19.948 0.30 1 828 96 96 ALA N N 123.830 0.30 1 829 97 97 LYS H H 8.218 0.03 1 830 97 97 LYS HA H 3.808 0.03 1 831 97 97 LYS HB2 H 1.883 0.03 2 832 97 97 LYS HB3 H 1.883 0.03 2 833 97 97 LYS HG2 H 1.229 0.03 2 834 97 97 LYS HG3 H 1.697 0.03 2 835 97 97 LYS HD3 H 1.615 0.03 2 836 97 97 LYS HE2 H 2.826 0.03 2 837 97 97 LYS HE3 H 2.727 0.03 2 838 97 97 LYS CA C 60.349 0.30 1 839 97 97 LYS CB C 32.698 0.30 1 840 97 97 LYS CG C 26.854 0.30 1 841 97 97 LYS CD C 29.800 0.30 1 842 97 97 LYS CE C 42.024 0.30 1 843 97 97 LYS N N 115.893 0.30 1 844 98 98 GLU H H 7.474 0.03 1 845 98 98 GLU HA H 4.140 0.03 1 846 98 98 GLU HB2 H 2.150 0.03 2 847 98 98 GLU HB3 H 2.150 0.03 2 848 98 98 GLU HG2 H 2.476 0.03 2 849 98 98 GLU HG3 H 2.382 0.03 2 850 98 98 GLU CA C 58.222 0.30 1 851 98 98 GLU CB C 29.776 0.30 1 852 98 98 GLU CG C 36.400 0.30 1 853 98 98 GLU N N 117.006 0.30 1 854 99 99 MET H H 7.378 0.03 1 855 99 99 MET HA H 4.533 0.03 1 856 99 99 MET HB2 H 2.330 0.03 2 857 99 99 MET HG2 H 2.885 0.03 2 858 99 99 MET HG3 H 2.768 0.03 2 859 99 99 MET HE H 2.123 0.03 1 860 99 99 MET CA C 55.292 0.30 1 861 99 99 MET CB C 33.777 0.30 1 862 99 99 MET CG C 32.698 0.30 1 863 99 99 MET CE C 17.227 0.30 1 864 99 99 MET N N 114.572 0.30 1 865 100 100 VAL H H 7.056 0.03 1 866 100 100 VAL HA H 3.266 0.03 1 867 100 100 VAL HB H 2.090 0.03 1 868 100 100 VAL HG1 H 1.126 0.03 2 869 100 100 VAL HG2 H 1.030 0.03 2 870 100 100 VAL CA C 66.047 0.30 1 871 100 100 VAL CB C 31.325 0.30 1 872 100 100 VAL CG1 C 24.400 0.30 1 873 100 100 VAL CG2 C 21.879 0.30 1 874 100 100 VAL N N 119.104 0.30 1 875 101 101 GLY H H 8.979 0.03 1 876 101 101 GLY HA2 H 4.514 0.03 2 877 101 101 GLY HA3 H 3.815 0.03 2 878 101 101 GLY CA C 44.651 0.30 1 879 101 101 GLY N N 116.779 0.30 1 880 102 102 GLN H H 8.103 0.03 1 881 102 102 GLN HA H 4.197 0.03 1 882 102 102 GLN HB2 H 2.085 0.03 2 883 102 102 GLN HG2 H 2.510 0.03 2 884 102 102 GLN HG3 H 2.407 0.03 2 885 102 102 GLN HE21 H 6.835 0.03 2 886 102 102 GLN HE22 H 7.545 0.03 2 887 102 102 GLN C C 174.994 0.30 1 888 102 102 GLN CA C 56.663 0.30 1 889 102 102 GLN CB C 28.936 0.30 1 890 102 102 GLN CG C 34.500 0.30 1 891 102 102 GLN N N 119.990 0.30 1 892 102 102 GLN NE2 N 112.367 0.30 1 893 103 103 LYS H H 8.310 0.03 1 894 103 103 LYS HA H 5.266 0.03 1 895 103 103 LYS HB2 H 1.690 0.03 2 896 103 103 LYS HG2 H 1.486 0.03 2 897 103 103 LYS HG3 H 1.320 0.03 2 898 103 103 LYS HD2 H 1.481 0.03 2 899 103 103 LYS HD3 H 1.588 0.03 2 900 103 103 LYS HE3 H 2.928 0.03 2 901 103 103 LYS CA C 54.642 0.30 1 902 103 103 LYS CB C 34.196 0.30 1 903 103 103 LYS CG C 25.200 0.30 1 904 103 103 LYS CD C 28.939 0.30 1 905 103 103 LYS CE C 42.260 0.30 1 906 103 103 LYS N N 120.261 0.30 1 907 104 104 MET H H 8.556 0.03 1 908 104 104 MET HA H 4.692 0.03 1 909 104 104 MET HB2 H 2.146 0.03 2 910 104 104 MET HB3 H 1.689 0.03 2 911 104 104 MET HG2 H 2.360 0.03 2 912 104 104 MET HG3 H 2.202 0.03 2 913 104 104 MET HE H 1.975 0.03 1 914 104 104 MET CA C 54.276 0.30 1 915 104 104 MET CB C 36.831 0.30 1 916 104 104 MET CG C 32.500 0.30 1 917 104 104 MET CE C 17.727 0.30 1 918 104 104 MET N N 119.868 0.30 1 919 105 105 LYS H H 8.257 0.03 1 920 105 105 LYS HA H 4.366 0.03 1 921 105 105 LYS HB3 H 1.726 0.03 2 922 105 105 LYS HG2 H 1.364 0.03 2 923 105 105 LYS HG3 H 1.478 0.03 2 924 105 105 LYS HD2 H 1.685 0.03 2 925 105 105 LYS HE3 H 2.985 0.03 2 926 105 105 LYS CA C 57.100 0.30 1 927 105 105 LYS CB C 32.890 0.30 1 928 105 105 LYS CG C 24.995 0.30 1 929 105 105 LYS CD C 29.300 0.30 1 930 105 105 LYS CE C 42.260 0.30 1 931 105 105 LYS N N 120.932 0.30 1 932 106 106 TYR H H 8.378 0.03 1 933 106 106 TYR HA H 4.418 0.03 1 934 106 106 TYR HB2 H 2.859 0.03 2 935 106 106 TYR HB3 H 2.712 0.03 2 936 106 106 TYR CA C 56.726 0.30 1 937 106 106 TYR CB C 38.561 0.30 1 938 106 106 TYR N N 122.600 0.30 1 939 107 107 SER H H 8.044 0.03 1 940 107 107 SER CA C 56.717 0.30 1 941 107 107 SER CB C 63.983 0.30 1 942 107 107 SER N N 116.904 0.30 1 943 108 108 ILE HG2 H 0.652 0.03 1 944 109 109 VAL HA H 4.013 0.03 1 945 109 109 VAL HB H 2.127 0.03 1 946 109 109 VAL HG1 H 0.996 0.03 2 947 109 109 VAL HG2 H 0.920 0.03 2 948 109 109 VAL CA C 64.307 0.30 1 949 109 109 VAL CB C 32.000 0.30 1 950 109 109 VAL CG1 C 21.250 0.30 1 951 109 109 VAL CG2 C 20.479 0.30 1 952 111 111 ARG HA H 4.372 0.03 1 953 111 111 ARG HB3 H 1.940 0.03 2 954 111 111 ARG HG2 H 1.746 0.03 2 955 111 111 ARG HG3 H 1.680 0.03 2 956 111 111 ARG HD2 H 3.239 0.03 2 957 111 111 ARG HD3 H 3.314 0.03 2 958 111 111 ARG CA C 57.100 0.30 1 959 111 111 ARG CB C 28.110 0.30 1 960 111 111 ARG CG C 27.300 0.30 1 961 111 111 ARG CD C 43.854 0.30 1 962 112 112 ASN HD21 H 7.056 0.03 2 963 112 112 ASN HD22 H 7.527 0.03 2 964 112 112 ASN ND2 N 110.805 0.30 1 965 113 113 CYS HA H 4.488 0.03 1 966 113 113 CYS HB2 H 3.685 0.03 2 967 113 113 CYS HB3 H 3.627 0.03 2 968 113 113 CYS CA C 61.609 0.30 1 969 113 113 CYS CB C 26.800 0.30 1 970 114 114 GLU H H 7.720 0.03 1 971 114 114 GLU HA H 3.439 0.03 1 972 114 114 GLU HB2 H 1.722 0.03 2 973 114 114 GLU HB3 H 1.373 0.03 2 974 114 114 GLU HG2 H 0.380 0.03 2 975 114 114 GLU HG3 H 1.231 0.03 2 976 114 114 GLU CA C 58.669 0.30 1 977 114 114 GLU CB C 30.058 0.30 1 978 114 114 GLU CG C 34.139 0.30 1 979 114 114 GLU N N 125.287 0.30 1 980 115 115 HIS H H 8.051 0.03 1 981 115 115 HIS HA H 4.397 0.03 1 982 115 115 HIS HB2 H 3.114 0.03 2 983 115 115 HIS HB3 H 3.153 0.03 2 984 115 115 HIS HD2 H 7.038 0.03 1 985 115 115 HIS CA C 58.460 0.30 1 986 115 115 HIS CB C 30.061 0.30 1 987 115 115 HIS N N 119.008 0.30 1 988 116 116 PHE H H 8.168 0.03 1 989 116 116 PHE HA H 4.348 0.03 1 990 116 116 PHE HB2 H 3.481 0.03 2 991 116 116 PHE HB3 H 3.076 0.03 2 992 116 116 PHE HD2 H 7.326 0.03 3 993 116 116 PHE HE2 H 7.074 0.03 3 994 116 116 PHE CA C 61.077 0.30 1 995 116 116 PHE CB C 39.598 0.30 1 996 116 116 PHE N N 117.059 0.30 1 997 117 117 VAL H H 7.080 0.03 1 998 117 117 VAL HA H 3.865 0.03 1 999 117 117 VAL HB H 2.326 0.03 1 1000 117 117 VAL HG1 H 1.217 0.03 2 1001 117 117 VAL HG2 H 1.342 0.03 2 1002 117 117 VAL CA C 64.591 0.30 1 1003 117 117 VAL CB C 30.573 0.30 1 1004 117 117 VAL CG1 C 24.100 0.30 1 1005 117 117 VAL CG2 C 20.800 0.30 1 1006 117 117 VAL N N 107.857 0.30 1 1007 118 118 THR H H 8.465 0.03 1 1008 118 118 THR HA H 4.046 0.03 1 1009 118 118 THR HB H 4.309 0.03 1 1010 118 118 THR HG2 H 1.238 0.03 1 1011 118 118 THR CA C 66.745 0.30 1 1012 118 118 THR CB C 68.185 0.30 1 1013 118 118 THR CG2 C 22.350 0.30 1 1014 118 118 THR N N 117.382 0.30 1 1015 119 119 GLN H H 8.074 0.03 1 1016 119 119 GLN HA H 3.885 0.03 1 1017 119 119 GLN HB2 H 2.057 0.03 2 1018 119 119 GLN HB3 H 1.954 0.03 2 1019 119 119 GLN HG2 H 2.299 0.03 2 1020 119 119 GLN HG3 H 2.167 0.03 2 1021 119 119 GLN HE21 H 6.604 0.03 2 1022 119 119 GLN HE22 H 7.219 0.03 2 1023 119 119 GLN CA C 59.002 0.30 1 1024 119 119 GLN CB C 27.611 0.30 1 1025 119 119 GLN CG C 34.308 0.30 1 1026 119 119 GLN N N 121.900 0.30 1 1027 119 119 GLN NE2 N 110.219 0.30 1 1028 120 120 LEU H H 6.829 0.03 1 1029 120 120 LEU HA H 3.835 0.03 1 1030 120 120 LEU HB2 H 1.805 0.03 2 1031 120 120 LEU HB3 H 0.978 0.03 2 1032 120 120 LEU HG H 1.360 0.03 1 1033 120 120 LEU HD1 H 0.570 0.03 2 1034 120 120 LEU HD2 H 0.295 0.03 2 1035 120 120 LEU CA C 57.427 0.30 1 1036 120 120 LEU CB C 42.234 0.30 1 1037 120 120 LEU CG C 26.000 0.30 1 1038 120 120 LEU CD1 C 22.580 0.30 1 1039 120 120 LEU CD2 C 26.060 0.30 1 1040 120 120 LEU N N 117.899 0.30 1 1041 121 121 ARG H H 7.677 0.03 1 1042 121 121 ARG HA H 3.920 0.03 1 1043 121 121 ARG HB2 H 1.209 0.03 2 1044 121 121 ARG HB3 H 1.370 0.03 2 1045 121 121 ARG HG2 H -0.126 0.03 2 1046 121 121 ARG HG3 H 1.439 0.03 2 1047 121 121 ARG HD2 H 2.827 0.03 2 1048 121 121 ARG HD3 H 3.172 0.03 2 1049 121 121 ARG HE H 7.380 0.03 1 1050 121 121 ARG CA C 59.043 0.30 1 1051 121 121 ARG CB C 30.256 0.30 1 1052 121 121 ARG CG C 28.448 0.30 1 1053 121 121 ARG CD C 43.580 0.30 1 1054 121 121 ARG N N 117.250 0.30 1 1055 121 121 ARG NE N 83.341 0.30 1 1056 122 122 TYR H H 8.114 0.03 1 1057 122 122 TYR HA H 4.640 0.03 1 1058 122 122 TYR HB2 H 2.980 0.03 2 1059 122 122 TYR HB3 H 2.694 0.03 2 1060 122 122 TYR HD1 H 7.402 0.03 3 1061 122 122 TYR HE1 H 6.488 0.03 3 1062 122 122 TYR CA C 58.522 0.30 1 1063 122 122 TYR CB C 39.674 0.30 1 1064 122 122 TYR N N 111.508 0.30 1 1065 123 123 GLY H H 8.032 0.03 1 1066 123 123 GLY HA2 H 4.024 0.03 2 1067 123 123 GLY HA3 H 3.775 0.03 2 1068 123 123 GLY CA C 45.341 0.30 1 1069 123 123 GLY N N 109.399 0.30 1 1070 124 124 LYS H H 7.402 0.03 1 1071 124 124 LYS HA H 4.352 0.03 1 1072 124 124 LYS HB2 H 1.632 0.03 2 1073 124 124 LYS HB3 H 1.419 0.03 2 1074 124 124 LYS HG2 H 0.995 0.03 2 1075 124 124 LYS HG3 H 1.086 0.03 2 1076 124 124 LYS HD2 H 1.306 0.03 2 1077 124 124 LYS HD3 H 1.334 0.03 2 1078 124 124 LYS HE2 H 2.675 0.03 2 1079 124 124 LYS HE3 H 2.712 0.03 2 1080 124 124 LYS CA C 55.200 0.30 1 1081 124 124 LYS CB C 33.998 0.30 1 1082 124 124 LYS CG C 23.600 0.30 1 1083 124 124 LYS CD C 28.934 0.30 1 1084 124 124 LYS CE C 41.847 0.30 1 1085 124 124 LYS N N 117.936 0.30 1 1086 125 125 SER H H 7.826 0.03 1 1087 125 125 SER HA H 4.206 0.03 1 1088 125 125 SER HB3 H 3.745 0.03 2 1089 125 125 SER CA C 59.792 0.30 1 1090 125 125 SER CB C 65.011 0.30 1 1091 125 125 SER N N 121.389 0.30 1 stop_ save_