data_18012 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of N-terminal domain of human TIG3 ; _BMRB_accession_number 18012 _BMRB_flat_file_name bmr18012.str _Entry_type original _Submission_date 2011-10-21 _Accession_date 2011-10-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of N-terminal domain of human TIG3' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Lei . . 2 Yu Wenyu . . 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" 609 "13C chemical shifts" 452 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-06 update BMRB 'update entry citation' 2012-02-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments of the N-terminal domain of human TIG3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22290676 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Lei . . 2 Yu Wenyu . . 3 Ren Xiaobai . . 4 Lin Jian . . 5 Jin Changwen . . 6 Xia Bin . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 201 _Page_last 203 _Year 2012 _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 'N-terminal domain of human TIG3' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 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_label 1 MET 2 ALA 3 SER 4 PRO 5 HIS 6 GLN 7 GLU 8 PRO 9 LYS 10 PRO 11 GLY 12 ASP 13 LEU 14 ILE 15 GLU 16 ILE 17 PHE 18 ARG 19 LEU 20 GLY 21 TYR 22 GLU 23 HIS 24 TRP 25 ALA 26 LEU 27 TYR 28 ILE 29 GLY 30 ASP 31 GLY 32 TYR 33 VAL 34 ILE 35 HIS 36 LEU 37 ALA 38 PRO 39 PRO 40 SER 41 GLU 42 TYR 43 PRO 44 GLY 45 ALA 46 GLY 47 SER 48 SER 49 SER 50 VAL 51 PHE 52 SER 53 VAL 54 LEU 55 SER 56 ASN 57 SER 58 ALA 59 GLU 60 VAL 61 LYS 62 ARG 63 GLU 64 ARG 65 LEU 66 GLU 67 ASP 68 VAL 69 VAL 70 GLY 71 GLY 72 CYS 73 CYS 74 TYR 75 ARG 76 VAL 77 ASN 78 ASN 79 SER 80 LEU 81 ASP 82 HIS 83 GLU 84 TYR 85 GLN 86 PRO 87 ARG 88 PRO 89 VAL 90 GLU 91 VAL 92 ILE 93 ILE 94 SER 95 SER 96 ALA 97 LYS 98 GLU 99 MET 100 VAL 101 GLY 102 GLN 103 LYS 104 MET 105 LYS 106 TYR 107 SER 108 ILE 109 VAL 110 SER 111 ARG 112 ASN 113 CYS 114 GLU 115 HIS 116 PHE 117 VAL 118 THR 119 GLN 120 LEU 121 ARG 122 TYR 123 GLY 124 LYS 125 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-03 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 25448 TIG3N 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 $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli BL21(DE3) pET-21a 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 $entity 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 20 mM 'natural abundance' urea 2 M 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] DSS 0.01 % '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 Kollm' . . 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 5.0 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . 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_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'Bruker Avance 500 MHz spectrometer with a cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Bruker Avance 800 MHz spectrometer with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 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 internal indirect . 'insert at center of experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'insert at center of experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0 internal indirect . 'insert at center of experimental sample tube' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'N-terminal domain of human TIG3' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 GLN HA H 4.299 0.01 1 2 6 6 GLN HB2 H 1.876 0.01 2 3 6 6 GLN HB3 H 1.968 0.01 2 4 6 6 GLN HG2 H 2.190 0.01 2 5 6 6 GLN HE21 H 7.520 0.01 2 6 6 6 GLN HE22 H 6.913 0.01 2 7 6 6 GLN CA C 55.174 0.1 1 8 6 6 GLN CB C 29.776 0.1 1 9 6 6 GLN CG C 33.541 0.1 1 10 6 6 GLN NE2 N 111.914 0.1 1 11 7 7 GLU H H 8.346 0.01 1 12 7 7 GLU HA H 4.497 0.01 1 13 7 7 GLU HB2 H 1.878 0.01 2 14 7 7 GLU HB3 H 1.965 0.01 2 15 7 7 GLU HG2 H 2.297 0.01 2 16 7 7 GLU HG3 H 2.354 0.01 2 17 7 7 GLU C C 174.079 0.1 1 18 7 7 GLU CA C 53.950 0.1 1 19 7 7 GLU CB C 29.912 0.1 1 20 7 7 GLU CG C 35.483 0.1 1 21 7 7 GLU N N 124.232 0.1 1 22 8 8 PRO HA H 4.360 0.01 1 23 8 8 PRO HB2 H 0.782 0.01 2 24 8 8 PRO HB3 H 1.672 0.01 2 25 8 8 PRO HG2 H 1.353 0.01 2 26 8 8 PRO HG3 H 1.118 0.01 2 27 8 8 PRO HD2 H 3.204 0.01 2 28 8 8 PRO HD3 H 3.701 0.01 2 29 8 8 PRO CA C 62.398 0.1 1 30 8 8 PRO CB C 31.400 0.1 1 31 8 8 PRO CG C 26.900 0.1 1 32 8 8 PRO CD C 50.221 0.1 1 33 9 9 LYS H H 9.360 0.01 1 34 9 9 LYS HA H 4.886 0.01 1 35 9 9 LYS HB2 H 1.826 0.01 2 36 9 9 LYS HB3 H 1.802 0.01 2 37 9 9 LYS HG2 H 1.550 0.01 2 38 9 9 LYS HD2 H 1.760 0.01 2 39 9 9 LYS HD3 H 2.344 0.01 2 40 9 9 LYS HE2 H 3.080 0.01 2 41 9 9 LYS C C 174.180 0.1 1 42 9 9 LYS CA C 53.070 0.1 1 43 9 9 LYS CB C 32.224 0.1 1 44 9 9 LYS CG C 24.500 0.1 1 45 9 9 LYS CD C 28.800 0.1 1 46 9 9 LYS CE C 42.400 0.1 1 47 9 9 LYS N N 122.291 0.1 1 48 10 10 PRO HA H 3.910 0.01 1 49 10 10 PRO HB3 H 1.860 0.01 2 50 10 10 PRO HG2 H 1.961 0.01 2 51 10 10 PRO HD2 H 4.090 0.01 2 52 10 10 PRO HD3 H 3.753 0.01 2 53 10 10 PRO CA C 64.534 0.1 1 54 10 10 PRO CB C 31.263 0.1 1 55 10 10 PRO CG C 28.198 0.1 1 56 10 10 PRO CD C 50.406 0.1 1 57 11 11 GLY H H 9.370 0.01 1 58 11 11 GLY HA2 H 4.293 0.01 2 59 11 11 GLY HA3 H 3.287 0.01 2 60 11 11 GLY C C 172.156 0.1 1 61 11 11 GLY CA C 44.963 0.1 1 62 11 11 GLY N N 112.911 0.1 1 63 12 12 ASP H H 8.280 0.01 1 64 12 12 ASP HA H 4.870 0.01 1 65 12 12 ASP HB2 H 2.660 0.01 2 66 12 12 ASP HB3 H 2.920 0.01 2 67 12 12 ASP C C 175.879 0.1 1 68 12 12 ASP CA C 55.120 0.1 1 69 12 12 ASP CB C 42.845 0.1 1 70 12 12 ASP N N 120.534 0.1 1 71 13 13 LEU H H 9.084 0.01 1 72 13 13 LEU HA H 4.968 0.01 1 73 13 13 LEU HB2 H 1.584 0.01 2 74 13 13 LEU HB3 H 2.730 0.01 2 75 13 13 LEU HG H 2.150 0.01 1 76 13 13 LEU HD1 H 0.892 0.01 2 77 13 13 LEU HD2 H 1.282 0.01 2 78 13 13 LEU C C 176.156 0.1 1 79 13 13 LEU CA C 53.900 0.1 1 80 13 13 LEU CB C 41.246 0.1 1 81 13 13 LEU CG C 26.200 0.1 1 82 13 13 LEU CD1 C 23.470 0.1 1 83 13 13 LEU CD2 C 26.977 0.1 1 84 13 13 LEU N N 119.585 0.1 1 85 14 14 ILE H H 9.220 0.01 1 86 14 14 ILE HA H 4.610 0.01 1 87 14 14 ILE HB H 1.664 0.01 1 88 14 14 ILE HG12 H 1.334 0.01 1 89 14 14 ILE HG13 H 1.182 0.01 1 90 14 14 ILE HG2 H 0.547 0.01 1 91 14 14 ILE HD1 H 0.575 0.01 1 92 14 14 ILE C C 172.370 0.1 1 93 14 14 ILE CA C 57.992 0.1 1 94 14 14 ILE CB C 39.097 0.1 1 95 14 14 ILE CG1 C 26.540 0.1 1 96 14 14 ILE CG2 C 17.292 0.1 1 97 14 14 ILE CD1 C 12.000 0.1 1 98 14 14 ILE N N 121.397 0.1 1 99 15 15 GLU H H 8.630 0.01 1 100 15 15 GLU HA H 3.246 0.01 1 101 15 15 GLU HB2 H 1.398 0.01 2 102 15 15 GLU HB3 H 0.088 0.01 2 103 15 15 GLU HG2 H 0.665 0.01 2 104 15 15 GLU HG3 H 0.743 0.01 2 105 15 15 GLU C C 173.896 0.1 1 106 15 15 GLU CA C 54.323 0.1 1 107 15 15 GLU CB C 31.698 0.1 1 108 15 15 GLU CG C 35.153 0.1 1 109 15 15 GLU N N 129.258 0.1 1 110 16 16 ILE H H 8.568 0.01 1 111 16 16 ILE HA H 4.120 0.01 1 112 16 16 ILE HB H 1.616 0.01 1 113 16 16 ILE HG12 H 0.500 0.01 1 114 16 16 ILE HG13 H 1.386 0.01 1 115 16 16 ILE HG2 H 0.846 0.01 1 116 16 16 ILE HD1 H 0.463 0.01 1 117 16 16 ILE C C 175.452 0.1 1 118 16 16 ILE CA C 60.500 0.1 1 119 16 16 ILE CB C 40.200 0.1 1 120 16 16 ILE CG1 C 28.000 0.1 1 121 16 16 ILE CG2 C 18.600 0.1 1 122 16 16 ILE CD1 C 15.400 0.1 1 123 16 16 ILE N N 125.034 0.1 1 124 17 17 PHE H H 8.505 0.01 1 125 17 17 PHE HA H 4.510 0.01 1 126 17 17 PHE HB2 H 2.910 0.01 2 127 17 17 PHE HB3 H 3.150 0.01 2 128 17 17 PHE HD2 H 7.116 0.01 3 129 17 17 PHE C C 175.487 0.1 1 130 17 17 PHE CA C 58.939 0.1 1 131 17 17 PHE CB C 37.610 0.1 1 132 17 17 PHE N N 126.755 0.1 1 133 18 18 ARG H H 7.699 0.01 1 134 18 18 ARG HA H 4.630 0.01 1 135 18 18 ARG HB2 H 0.790 0.01 2 136 18 18 ARG HB3 H 1.550 0.01 2 137 18 18 ARG HG2 H 1.550 0.01 2 138 18 18 ARG HG3 H 1.323 0.01 2 139 18 18 ARG HD2 H 2.918 0.01 2 140 18 18 ARG HD3 H 3.141 0.01 2 141 18 18 ARG C C 175.244 0.1 1 142 18 18 ARG CA C 54.482 0.1 1 143 18 18 ARG CB C 30.206 0.1 1 144 18 18 ARG CG C 27.800 0.1 1 145 18 18 ARG CD C 44.200 0.1 1 146 18 18 ARG N N 124.386 0.1 1 147 19 19 LEU H H 8.158 0.01 1 148 19 19 LEU HA H 4.440 0.01 1 149 19 19 LEU HB2 H 1.622 0.01 2 150 19 19 LEU HB3 H 1.830 0.01 2 151 19 19 LEU HG H 1.610 0.01 1 152 19 19 LEU HD1 H 0.932 0.01 2 153 19 19 LEU HD2 H 0.974 0.01 2 154 19 19 LEU C C 176.337 0.1 1 155 19 19 LEU CA C 56.400 0.1 1 156 19 19 LEU CB C 40.296 0.1 1 157 19 19 LEU CG C 27.148 0.1 1 158 19 19 LEU CD1 C 24.700 0.1 1 159 19 19 LEU CD2 C 24.227 0.1 1 160 19 19 LEU N N 121.271 0.1 1 161 20 20 GLY H H 8.679 0.01 1 162 20 20 GLY HA2 H 3.790 0.01 2 163 20 20 GLY HA3 H 4.368 0.01 2 164 20 20 GLY C C 173.438 0.1 1 165 20 20 GLY CA C 45.870 0.1 1 166 20 20 GLY N N 115.594 0.1 1 167 21 21 TYR H H 7.430 0.01 1 168 21 21 TYR HA H 4.760 0.01 1 169 21 21 TYR HB2 H 3.036 0.01 2 170 21 21 TYR HB3 H 3.370 0.01 2 171 21 21 TYR HD1 H 7.127 0.01 3 172 21 21 TYR C C 171.973 0.1 1 173 21 21 TYR CA C 56.800 0.1 1 174 21 21 TYR CB C 38.520 0.1 1 175 21 21 TYR N N 115.815 0.1 1 176 22 22 GLU H H 8.240 0.01 1 177 22 22 GLU HA H 5.170 0.01 1 178 22 22 GLU HB2 H 1.539 0.01 2 179 22 22 GLU HB3 H 2.295 0.01 2 180 22 22 GLU HG2 H 2.477 0.01 2 181 22 22 GLU HG3 H 1.860 0.01 2 182 22 22 GLU C C 175.269 0.1 1 183 22 22 GLU CA C 56.190 0.1 1 184 22 22 GLU CB C 32.082 0.1 1 185 22 22 GLU CG C 38.627 0.1 1 186 22 22 GLU N N 116.614 0.1 1 187 23 23 HIS H H 8.945 0.01 1 188 23 23 HIS HA H 5.580 0.01 1 189 23 23 HIS HB2 H 2.674 0.01 2 190 23 23 HIS HB3 H 3.026 0.01 2 191 23 23 HIS HD2 H 6.882 0.01 1 192 23 23 HIS HE1 H 7.866 0.01 1 193 23 23 HIS C C 172.584 0.1 1 194 23 23 HIS CA C 54.300 0.1 1 195 23 23 HIS CB C 34.388 0.1 1 196 23 23 HIS N N 122.075 0.1 1 197 24 24 TRP H H 6.819 0.01 1 198 24 24 TRP HA H 5.690 0.01 1 199 24 24 TRP HB2 H 3.290 0.01 2 200 24 24 TRP HB3 H 2.570 0.01 2 201 24 24 TRP HD1 H 7.451 0.01 1 202 24 24 TRP HE1 H 10.153 0.01 1 203 24 24 TRP HZ3 H 7.557 0.01 1 204 24 24 TRP C C 174.597 0.1 1 205 24 24 TRP CA C 55.705 0.1 1 206 24 24 TRP CB C 33.377 0.1 1 207 24 24 TRP N N 124.449 0.1 1 208 24 24 TRP NE1 N 129.906 0.1 1 209 25 25 ALA H H 9.340 0.01 1 210 25 25 ALA HA H 4.876 0.01 1 211 25 25 ALA HB H 1.070 0.01 1 212 25 25 ALA C C 173.041 0.1 1 213 25 25 ALA CA C 50.281 0.1 1 214 25 25 ALA CB C 22.953 0.1 1 215 25 25 ALA N N 121.132 0.1 1 216 26 26 LEU H H 8.850 0.01 1 217 26 26 LEU HA H 5.260 0.01 1 218 26 26 LEU HB2 H 1.259 0.01 2 219 26 26 LEU HB3 H 1.940 0.01 2 220 26 26 LEU HG H 0.602 0.01 1 221 26 26 LEU HD1 H 0.739 0.01 2 222 26 26 LEU HD2 H 1.333 0.01 2 223 26 26 LEU C C 175.848 0.1 1 224 26 26 LEU CA C 53.365 0.1 1 225 26 26 LEU CB C 45.343 0.1 1 226 26 26 LEU CG C 27.700 0.1 1 227 26 26 LEU CD1 C 25.600 0.1 1 228 26 26 LEU CD2 C 26.800 0.1 1 229 26 26 LEU N N 122.445 0.1 1 230 27 27 TYR H H 9.747 0.01 1 231 27 27 TYR HA H 4.770 0.01 1 232 27 27 TYR HB2 H 3.224 0.01 2 233 27 27 TYR HB3 H 2.745 0.01 2 234 27 27 TYR HD1 H 6.750 0.01 3 235 27 27 TYR HE1 H 7.170 0.01 3 236 27 27 TYR C C 175.848 0.1 1 237 27 27 TYR CA C 59.641 0.1 1 238 27 27 TYR CB C 38.670 0.1 1 239 27 27 TYR N N 127.978 0.1 1 240 28 28 ILE H H 8.207 0.01 1 241 28 28 ILE HA H 4.557 0.01 1 242 28 28 ILE HB H 2.090 0.01 1 243 28 28 ILE HG12 H 0.641 0.01 1 244 28 28 ILE HG13 H 1.323 0.01 1 245 28 28 ILE HG2 H 0.798 0.01 1 246 28 28 ILE HD1 H 0.682 0.01 1 247 28 28 ILE C C 174.750 0.1 1 248 28 28 ILE CA C 60.519 0.1 1 249 28 28 ILE CB C 38.900 0.1 1 250 28 28 ILE CG1 C 26.977 0.1 1 251 28 28 ILE CG2 C 18.020 0.1 1 252 28 28 ILE CD1 C 14.052 0.1 1 253 28 28 ILE N N 119.679 0.1 1 254 29 29 GLY H H 6.600 0.01 1 255 29 29 GLY HA2 H 3.540 0.01 2 256 29 29 GLY HA3 H 4.571 0.01 2 257 29 29 GLY CA C 44.000 0.1 1 258 30 30 ASP HA H 4.433 0.01 1 259 30 30 ASP HB2 H 3.088 0.01 2 260 30 30 ASP HB3 H 2.735 0.01 2 261 30 30 ASP C C 124.898 0.1 1 262 30 30 ASP CA C 55.640 0.1 1 263 30 30 ASP CB C 40.253 0.1 1 264 31 31 GLY H H 8.123 0.01 1 265 31 31 GLY HA2 H 4.264 0.01 2 266 31 31 GLY HA3 H 3.919 0.01 2 267 31 31 GLY C C 174.597 0.1 1 268 31 31 GLY CA C 45.538 0.1 1 269 31 31 GLY N N 124.953 0.1 1 270 32 32 TYR H H 7.840 0.01 1 271 32 32 TYR HA H 4.930 0.01 1 272 32 32 TYR HB2 H 2.602 0.01 2 273 32 32 TYR HB3 H 2.842 0.01 2 274 32 32 TYR HD1 H 6.900 0.01 3 275 32 32 TYR HD2 H 6.855 0.01 3 276 32 32 TYR HE1 H 6.788 0.01 3 277 32 32 TYR C C 174.689 0.1 1 278 32 32 TYR CA C 58.737 0.1 1 279 32 32 TYR CB C 42.026 0.1 1 280 32 32 TYR N N 120.143 0.1 1 281 33 33 VAL H H 9.250 0.01 1 282 33 33 VAL HA H 5.460 0.01 1 283 33 33 VAL HB H 2.040 0.01 1 284 33 33 VAL HG1 H 0.789 0.01 2 285 33 33 VAL HG2 H 0.440 0.01 2 286 33 33 VAL C C 174.689 0.1 1 287 33 33 VAL CA C 57.301 0.1 1 288 33 33 VAL CB C 35.157 0.1 1 289 33 33 VAL CG1 C 23.200 0.1 1 290 33 33 VAL CG2 C 18.700 0.1 1 291 33 33 VAL N N 110.190 0.1 1 292 34 34 ILE H H 9.086 0.01 1 293 34 34 ILE HA H 5.576 0.01 1 294 34 34 ILE HB H 1.480 0.01 1 295 34 34 ILE HG12 H 1.090 0.01 1 296 34 34 ILE HG13 H 1.685 0.01 1 297 34 34 ILE HG2 H 0.945 0.01 1 298 34 34 ILE HD1 H 0.774 0.01 1 299 34 34 ILE C C 174.666 0.1 1 300 34 34 ILE CA C 60.173 0.1 1 301 34 34 ILE CB C 41.065 0.1 1 302 34 34 ILE CG1 C 29.207 0.1 1 303 34 34 ILE CG2 C 17.300 0.1 1 304 34 34 ILE CD1 C 13.606 0.1 1 305 34 34 ILE N N 119.366 0.1 1 306 35 35 HIS H H 9.120 0.01 1 307 35 35 HIS HA H 5.150 0.01 1 308 35 35 HIS HB2 H 3.528 0.01 2 309 35 35 HIS HB3 H 3.458 0.01 2 310 35 35 HIS HD2 H 7.100 0.01 1 311 35 35 HIS C C 170.661 0.1 1 312 35 35 HIS CA C 54.110 0.1 1 313 35 35 HIS CB C 34.940 0.1 1 314 35 35 HIS N N 123.066 0.1 1 315 36 36 LEU H H 8.970 0.01 1 316 36 36 LEU HA H 4.130 0.01 1 317 36 36 LEU HB2 H 0.810 0.01 2 318 36 36 LEU HB3 H 1.870 0.01 2 319 36 36 LEU HG H 1.168 0.01 1 320 36 36 LEU HD1 H 0.432 0.01 2 321 36 36 LEU HD2 H 0.641 0.01 2 322 36 36 LEU C C 172.919 0.1 1 323 36 36 LEU CA C 53.844 0.1 1 324 36 36 LEU CB C 41.876 0.1 1 325 36 36 LEU CG C 25.583 0.1 1 326 36 36 LEU CD1 C 24.200 0.1 1 327 36 36 LEU CD2 C 25.329 0.1 1 328 36 36 LEU N N 123.412 0.1 1 329 37 37 ALA H H 8.106 0.01 1 330 37 37 ALA HA H 4.380 0.01 1 331 37 37 ALA HB H 1.070 0.01 1 332 37 37 ALA C C 174.536 0.1 1 333 37 37 ALA CA C 49.536 0.1 1 334 37 37 ALA CB C 19.500 0.1 1 335 37 37 ALA N N 129.220 0.1 1 336 38 38 PRO HD2 H 3.502 0.01 2 337 38 38 PRO HD3 H 3.756 0.01 2 338 38 38 PRO CD C 50.400 0.1 1 339 39 39 PRO HA H 4.390 0.01 1 340 39 39 PRO HB2 H 1.915 0.01 2 341 39 39 PRO HB3 H 2.240 0.01 2 342 39 39 PRO HG3 H 1.950 0.01 2 343 39 39 PRO HD2 H 3.758 0.01 2 344 39 39 PRO HD3 H 3.470 0.01 2 345 39 39 PRO CA C 63.000 0.1 1 346 39 39 PRO CB C 32.000 0.1 1 347 39 39 PRO CG C 27.400 0.1 1 348 39 39 PRO CD C 50.470 0.1 1 349 41 41 GLU HA H 4.270 0.01 1 350 41 41 GLU HB2 H 1.933 0.01 2 351 41 41 GLU HB3 H 1.827 0.01 2 352 41 41 GLU HG2 H 2.166 0.01 2 353 41 41 GLU CA C 56.245 0.1 1 354 41 41 GLU CB C 30.514 0.1 1 355 41 41 GLU CG C 36.270 0.1 1 356 42 42 TYR HA H 4.799 0.01 1 357 42 42 TYR HD2 H 7.420 0.01 3 358 42 42 TYR HE2 H 7.560 0.01 3 359 42 42 TYR HH H 7.850 0.01 1 360 43 43 PRO HA H 4.420 0.01 1 361 43 43 PRO HB2 H 1.810 0.01 2 362 43 43 PRO HB3 H 2.232 0.01 2 363 43 43 PRO HG3 H 1.950 0.01 2 364 43 43 PRO HD2 H 3.758 0.01 2 365 43 43 PRO HD3 H 3.470 0.01 2 366 43 43 PRO CA C 63.480 0.1 1 367 43 43 PRO CB C 31.800 0.1 1 368 43 43 PRO CG C 27.400 0.1 1 369 43 43 PRO CD C 50.470 0.1 1 370 44 44 GLY H H 8.020 0.01 1 371 44 44 GLY HA2 H 3.927 0.01 2 372 44 44 GLY C C 173.926 0.1 1 373 44 44 GLY CA C 45.069 0.1 1 374 44 44 GLY N N 109.025 0.1 1 375 45 45 ALA H H 8.100 0.01 1 376 45 45 ALA HA H 4.327 0.01 1 377 45 45 ALA HB H 1.387 0.01 1 378 45 45 ALA C C 173.962 0.1 1 379 45 45 ALA CA C 52.800 0.1 1 380 45 45 ALA CB C 19.470 0.1 1 381 45 45 ALA N N 123.500 0.1 1 382 46 46 GLY H H 8.420 0.01 1 383 46 46 GLY HA2 H 3.956 0.01 2 384 46 46 GLY C C 174.292 0.1 1 385 46 46 GLY CA C 45.293 0.1 1 386 46 46 GLY N N 108.126 0.1 1 387 47 47 SER C C 178.417 0.1 1 388 47 47 SER CA C 59.694 0.1 1 389 47 47 SER CB C 75.808 0.1 1 390 48 48 SER H H 8.074 0.01 1 391 48 48 SER HA H 4.267 0.01 1 392 48 48 SER C C 178.417 0.1 1 393 48 48 SER CA C 53.259 0.1 1 394 48 48 SER CB C 68.612 0.1 1 395 48 48 SER N N 117.944 0.1 1 396 49 49 SER HA H 4.456 0.01 1 397 49 49 SER HB2 H 3.826 0.01 2 398 49 49 SER C C 174.628 0.1 1 399 49 49 SER CA C 58.530 0.1 1 400 49 49 SER CB C 63.582 0.1 1 401 50 50 VAL H H 7.924 0.01 1 402 50 50 VAL HA H 4.059 0.01 1 403 50 50 VAL HB H 1.970 0.01 1 404 50 50 VAL HG1 H 0.782 0.01 2 405 50 50 VAL HG2 H 0.780 0.01 2 406 50 50 VAL C C 175.818 0.1 1 407 50 50 VAL CA C 62.700 0.1 1 408 50 50 VAL CB C 32.416 0.1 1 409 50 50 VAL CG1 C 20.974 0.1 1 410 50 50 VAL CG2 C 20.270 0.1 1 411 50 50 VAL N N 120.507 0.1 1 412 51 51 PHE HA H 4.630 0.01 1 413 51 51 PHE HB2 H 3.170 0.01 2 414 51 51 PHE HB3 H 2.980 0.01 2 415 51 51 PHE HD1 H 7.227 0.01 3 416 51 51 PHE HE1 H 6.892 0.01 3 417 51 51 PHE CA C 57.939 0.1 1 418 51 51 PHE CB C 39.470 0.1 1 419 52 52 SER H H 8.029 0.01 1 420 52 52 SER HA H 4.436 0.01 1 421 52 52 SER HB2 H 3.819 0.01 2 422 52 52 SER C C 174.445 0.1 1 423 52 52 SER CA C 58.311 0.1 1 424 52 52 SER CB C 63.889 0.1 1 425 52 52 SER N N 116.798 0.1 1 426 53 53 VAL H H 8.013 0.01 1 427 53 53 VAL HA H 4.093 0.01 1 428 53 53 VAL HB H 2.085 0.01 1 429 53 53 VAL HG2 H 0.928 0.01 2 430 53 53 VAL C C 176.184 0.1 1 431 53 53 VAL CA C 62.725 0.1 1 432 53 53 VAL CB C 32.416 0.1 1 433 53 53 VAL CG2 C 20.343 0.1 1 434 53 53 VAL N N 120.917 0.1 1 435 54 54 LEU H H 8.118 0.01 1 436 54 54 LEU HA H 4.380 0.01 1 437 54 54 LEU HB2 H 1.589 0.01 2 438 54 54 LEU HB3 H 1.645 0.01 2 439 54 54 LEU HG H 1.286 0.01 1 440 54 54 LEU HD1 H 0.880 0.01 2 441 54 54 LEU HD2 H 0.840 0.01 2 442 54 54 LEU C C 177.313 0.1 1 443 54 54 LEU CA C 55.287 0.1 1 444 54 54 LEU CB C 42.172 0.1 1 445 54 54 LEU CD1 C 24.945 0.1 1 446 54 54 LEU CD2 C 23.184 0.1 1 447 54 54 LEU N N 123.756 0.1 1 448 55 55 SER H H 8.113 0.01 1 449 55 55 SER HA H 4.467 0.01 1 450 55 55 SER HB2 H 3.890 0.01 2 451 55 55 SER CA C 58.365 0.1 1 452 55 55 SER CB C 63.793 0.1 1 453 55 55 SER N N 115.595 0.1 1 454 56 56 ASN HA H 4.900 0.01 1 455 56 56 ASN HB3 H 2.880 0.01 2 456 56 56 ASN HD22 H 6.876 0.01 2 457 56 56 ASN C C 174.781 0.1 1 458 56 56 ASN CA C 52.900 0.1 1 459 56 56 ASN CB C 39.200 0.1 1 460 57 57 SER H H 8.090 0.01 1 461 57 57 SER HA H 4.710 0.01 1 462 57 57 SER HB2 H 3.786 0.01 2 463 57 57 SER HB3 H 3.720 0.01 2 464 57 57 SER C C 172.919 0.1 1 465 57 57 SER CA C 58.311 0.1 1 466 57 57 SER CB C 64.754 0.1 1 467 57 57 SER N N 115.099 0.1 1 468 58 58 ALA H H 8.550 0.01 1 469 58 58 ALA HA H 4.513 0.01 1 470 58 58 ALA HB H 1.113 0.01 1 471 58 58 ALA C C 174.658 0.1 1 472 58 58 ALA CA C 51.079 0.1 1 473 58 58 ALA CB C 22.377 0.1 1 474 58 58 ALA N N 125.210 0.1 1 475 59 59 GLU H H 8.145 0.01 1 476 59 59 GLU HA H 5.033 0.01 1 477 59 59 GLU HB2 H 1.714 0.01 2 478 59 59 GLU HG2 H 1.928 0.01 2 479 59 59 GLU C C 176.123 0.1 1 480 59 59 GLU CA C 53.884 0.1 1 481 59 59 GLU CB C 34.292 0.1 1 482 59 59 GLU CG C 36.272 0.1 1 483 59 59 GLU N N 120.283 0.1 1 484 60 60 VAL H H 8.509 0.01 1 485 60 60 VAL HA H 4.330 0.01 1 486 60 60 VAL HB H 2.340 0.01 1 487 60 60 VAL HG1 H 0.776 0.01 2 488 60 60 VAL HG2 H 0.518 0.01 2 489 60 60 VAL C C 176.733 0.1 1 490 60 60 VAL CA C 62.678 0.1 1 491 60 60 VAL CB C 30.670 0.1 1 492 60 60 VAL CG2 C 22.334 0.1 1 493 60 60 VAL N N 125.217 0.1 1 494 61 61 LYS H H 9.070 0.01 1 495 61 61 LYS HA H 4.900 0.01 1 496 61 61 LYS HB2 H 1.472 0.01 2 497 61 61 LYS HB3 H 1.780 0.01 2 498 61 61 LYS HG2 H 1.403 0.01 2 499 61 61 LYS HG3 H 1.267 0.01 2 500 61 61 LYS HD2 H 1.529 0.01 2 501 61 61 LYS HD3 H 1.493 0.01 2 502 61 61 LYS HE2 H 2.805 0.01 2 503 61 61 LYS C C 174.109 0.1 1 504 61 61 LYS CA C 55.392 0.1 1 505 61 61 LYS CB C 37.944 0.1 1 506 61 61 LYS CG C 25.370 0.1 1 507 61 61 LYS CD C 29.419 0.1 1 508 61 61 LYS CE C 42.244 0.1 1 509 61 61 LYS N N 129.209 0.1 1 510 62 62 ARG H H 8.811 0.01 1 511 62 62 ARG HA H 5.690 0.01 1 512 62 62 ARG HB2 H 1.426 0.01 2 513 62 62 ARG HB3 H 2.006 0.01 2 514 62 62 ARG HG2 H 1.308 0.01 2 515 62 62 ARG HG3 H 1.445 0.01 2 516 62 62 ARG HD2 H 2.827 0.01 2 517 62 62 ARG HD3 H 2.880 0.01 2 518 62 62 ARG C C 175.757 0.1 1 519 62 62 ARG CA C 54.323 0.1 1 520 62 62 ARG CB C 32.082 0.1 1 521 62 62 ARG CG C 27.727 0.1 1 522 62 62 ARG CD C 43.306 0.1 1 523 62 62 ARG N N 123.674 0.1 1 524 63 63 GLU H H 8.985 0.01 1 525 63 63 GLU HA H 4.990 0.01 1 526 63 63 GLU HB2 H 1.621 0.01 2 527 63 63 GLU HB3 H 2.220 0.01 2 528 63 63 GLU HG2 H 2.391 0.01 2 529 63 63 GLU HG3 H 2.211 0.01 2 530 63 63 GLU C C 174.536 0.1 1 531 63 63 GLU CA C 54.754 0.1 1 532 63 63 GLU CB C 36.983 0.1 1 533 63 63 GLU CG C 39.356 0.1 1 534 63 63 GLU N N 124.876 0.1 1 535 64 64 ARG H H 9.280 0.01 1 536 64 64 ARG HA H 3.937 0.01 1 537 64 64 ARG HB2 H 1.817 0.01 2 538 64 64 ARG HB3 H 1.750 0.01 2 539 64 64 ARG HG2 H 1.683 0.01 2 540 64 64 ARG HG3 H 1.103 0.01 2 541 64 64 ARG HD2 H 3.080 0.01 2 542 64 64 ARG HD3 H 2.980 0.01 2 543 64 64 ARG C C 177.801 0.1 1 544 64 64 ARG CA C 56.822 0.1 1 545 64 64 ARG CB C 29.488 0.1 1 546 64 64 ARG CG C 28.000 0.1 1 547 64 64 ARG CD C 42.800 0.1 1 548 64 64 ARG N N 121.803 0.1 1 549 65 65 LEU H H 8.840 0.01 1 550 65 65 LEU HA H 3.560 0.01 1 551 65 65 LEU HB2 H 1.157 0.01 2 552 65 65 LEU HB3 H 1.770 0.01 2 553 65 65 LEU HG H 1.139 0.01 1 554 65 65 LEU HD1 H 0.390 0.01 2 555 65 65 LEU HD2 H 0.585 0.01 2 556 65 65 LEU C C 177.649 0.1 1 557 65 65 LEU CA C 58.950 0.1 1 558 65 65 LEU CB C 41.595 0.1 1 559 65 65 LEU CG C 26.429 0.1 1 560 65 65 LEU CD1 C 24.800 0.1 1 561 65 65 LEU CD2 C 25.436 0.1 1 562 65 65 LEU N N 124.627 0.1 1 563 66 66 GLU H H 9.411 0.01 1 564 66 66 GLU HA H 3.840 0.01 1 565 66 66 GLU HB3 H 1.920 0.01 2 566 66 66 GLU HG2 H 2.219 0.01 2 567 66 66 GLU C C 178.534 0.1 1 568 66 66 GLU CA C 59.481 0.1 1 569 66 66 GLU CB C 29.103 0.1 1 570 66 66 GLU CG C 35.853 0.1 1 571 66 66 GLU N N 115.380 0.1 1 572 67 67 ASP H H 6.829 0.01 1 573 67 67 ASP HA H 4.460 0.01 1 574 67 67 ASP HB2 H 2.778 0.01 2 575 67 67 ASP HB3 H 2.721 0.01 2 576 67 67 ASP CA C 56.503 0.1 1 577 67 67 ASP CB C 40.592 0.1 1 578 67 67 ASP N N 118.581 0.1 1 579 68 68 VAL H H 7.410 0.01 1 580 68 68 VAL HA H 3.640 0.01 1 581 68 68 VAL HB H 1.570 0.01 1 582 68 68 VAL HG1 H 0.430 0.01 2 583 68 68 VAL HG2 H 0.432 0.01 2 584 68 68 VAL C C 177.618 0.1 1 585 68 68 VAL CA C 65.070 0.1 1 586 68 68 VAL CB C 32.082 0.1 1 587 68 68 VAL CG1 C 20.792 0.1 1 588 68 68 VAL CG2 C 22.496 0.1 1 589 68 68 VAL N N 119.976 0.1 1 590 69 69 VAL H H 8.270 0.01 1 591 69 69 VAL HA H 3.520 0.01 1 592 69 69 VAL HB H 1.850 0.01 1 593 69 69 VAL HG1 H 0.458 0.01 2 594 69 69 VAL HG2 H 0.586 0.01 2 595 69 69 VAL C C 178.412 0.1 1 596 69 69 VAL CA C 65.337 0.1 1 597 69 69 VAL CB C 32.036 0.1 1 598 69 69 VAL CG1 C 21.230 0.1 1 599 69 69 VAL CG2 C 22.255 0.1 1 600 69 69 VAL N N 116.944 0.1 1 601 70 70 GLY H H 7.410 0.01 1 602 70 70 GLY HA2 H 3.750 0.01 2 603 70 70 GLY HA3 H 3.917 0.01 2 604 70 70 GLY C C 175.604 0.1 1 605 70 70 GLY CA C 47.409 0.1 1 606 70 70 GLY N N 107.728 0.1 1 607 71 71 GLY H H 8.850 0.01 1 608 71 71 GLY HA2 H 3.987 0.01 2 609 71 71 GLY C C 174.597 0.1 1 610 71 71 GLY CA C 45.176 0.1 1 611 71 71 GLY N N 110.879 0.1 1 612 72 72 CYS H H 7.643 0.01 1 613 72 72 CYS HA H 4.510 0.01 1 614 72 72 CYS HB2 H 2.918 0.01 2 615 72 72 CYS HB3 H 3.220 0.01 2 616 72 72 CYS C C 174.262 0.1 1 617 72 72 CYS CA C 60.013 0.1 1 618 72 72 CYS CB C 29.295 0.1 1 619 72 72 CYS N N 118.581 0.1 1 620 73 73 CYS H H 9.000 0.01 1 621 73 73 CYS HA H 4.534 0.01 1 622 73 73 CYS HB2 H 2.926 0.01 2 623 73 73 CYS C C 173.377 0.1 1 624 73 73 CYS CA C 59.588 0.1 1 625 73 73 CYS CB C 28.046 0.1 1 626 73 73 CYS N N 120.200 0.1 1 627 74 74 TYR H H 8.145 0.01 1 628 74 74 TYR HA H 5.590 0.01 1 629 74 74 TYR HB2 H 2.625 0.01 2 630 74 74 TYR HB3 H 2.680 0.01 2 631 74 74 TYR HD2 H 6.826 0.01 3 632 74 74 TYR HE2 H 6.463 0.01 3 633 74 74 TYR HH H 6.592 0.01 1 634 74 74 TYR C C 173.177 0.1 1 635 74 74 TYR CA C 55.286 0.1 1 636 74 74 TYR CB C 41.876 0.1 1 637 74 74 TYR N N 119.073 0.1 1 638 75 75 ARG H H 9.010 0.01 1 639 75 75 ARG HA H 4.630 0.01 1 640 75 75 ARG HB3 H 1.880 0.01 2 641 75 75 ARG HG2 H 1.645 0.01 2 642 75 75 ARG HG3 H 1.349 0.01 2 643 75 75 ARG HD2 H 3.102 0.01 2 644 75 75 ARG HD3 H 3.177 0.01 2 645 75 75 ARG HE H 7.400 0.01 1 646 75 75 ARG C C 174.323 0.1 1 647 75 75 ARG CA C 53.850 0.1 1 648 75 75 ARG CB C 33.100 0.1 1 649 75 75 ARG CG C 25.577 0.1 1 650 75 75 ARG CD C 43.978 0.1 1 651 75 75 ARG N N 115.555 0.1 1 652 76 76 VAL H H 8.516 0.01 1 653 76 76 VAL HA H 4.559 0.01 1 654 76 76 VAL HB H 1.851 0.01 1 655 76 76 VAL HG1 H 0.890 0.01 2 656 76 76 VAL HG2 H 0.980 0.01 2 657 76 76 VAL C C 176.794 0.1 1 658 76 76 VAL CA C 62.885 0.1 1 659 76 76 VAL CB C 32.178 0.1 1 660 76 76 VAL CG1 C 21.870 0.1 1 661 76 76 VAL CG2 C 20.600 0.1 1 662 76 76 VAL N N 123.081 0.1 1 663 77 77 ASN H H 8.830 0.01 1 664 77 77 ASN HA H 4.870 0.01 1 665 77 77 ASN HB2 H 2.366 0.01 2 666 77 77 ASN HB3 H 3.240 0.01 2 667 77 77 ASN HD21 H 7.171 0.01 2 668 77 77 ASN HD22 H 8.059 0.01 2 669 77 77 ASN C C 173.420 0.1 1 670 77 77 ASN CA C 52.036 0.1 1 671 77 77 ASN CB C 38.520 0.1 1 672 77 77 ASN N N 125.850 0.1 1 673 77 77 ASN ND2 N 112.227 0.1 1 674 78 78 ASN H H 8.674 0.01 1 675 78 78 ASN HA H 5.340 0.01 1 676 78 78 ASN HB2 H 2.645 0.01 2 677 78 78 ASN HB3 H 3.200 0.01 2 678 78 78 ASN HD21 H 6.997 0.01 2 679 78 78 ASN HD22 H 7.041 0.01 2 680 78 78 ASN C C 178.320 0.1 1 681 78 78 ASN CA C 51.974 0.1 1 682 78 78 ASN CB C 37.070 0.1 1 683 78 78 ASN N N 124.122 0.1 1 684 78 78 ASN ND2 N 110.567 0.1 1 685 79 79 SER H H 8.120 0.01 1 686 79 79 SER HA H 4.130 0.01 1 687 79 79 SER HB3 H 4.023 0.01 2 688 79 79 SER CA C 62.100 0.1 1 689 79 79 SER CB C 63.000 0.1 1 690 79 79 SER N N 117.790 0.1 1 691 80 80 LEU H H 7.995 0.01 1 692 80 80 LEU HA H 4.470 0.01 1 693 80 80 LEU HB2 H 1.180 0.01 2 694 80 80 LEU HG H 1.520 0.01 1 695 80 80 LEU HD1 H 0.674 0.01 2 696 80 80 LEU HD2 H 0.674 0.01 2 697 80 80 LEU C C 177.679 0.1 1 698 80 80 LEU CA C 55.759 0.1 1 699 80 80 LEU CB C 41.500 0.1 1 700 80 80 LEU CG C 26.800 0.1 1 701 80 80 LEU CD1 C 25.159 0.1 1 702 80 80 LEU CD2 C 22.944 0.1 1 703 80 80 LEU N N 121.409 0.1 1 704 81 81 ASP H H 8.343 0.01 1 705 81 81 ASP HA H 5.126 0.01 1 706 81 81 ASP HB2 H 2.808 0.01 2 707 81 81 ASP HB3 H 2.947 0.01 2 708 81 81 ASP C C 176.794 0.1 1 709 81 81 ASP CA C 56.400 0.1 1 710 81 81 ASP CB C 40.250 0.1 1 711 81 81 ASP N N 121.703 0.1 1 712 82 82 HIS HA H 4.460 0.01 1 713 82 82 HIS HB2 H 3.181 0.01 2 714 82 82 HIS HB3 H 3.120 0.01 2 715 82 82 HIS C C 175.269 0.1 1 716 82 82 HIS CA C 57.900 0.1 1 717 82 82 HIS CB C 29.766 0.1 1 718 83 83 GLU H H 7.480 0.01 1 719 83 83 GLU HA H 4.160 0.01 1 720 83 83 GLU HB2 H 1.300 0.01 2 721 83 83 GLU HG2 H 1.660 0.01 2 722 83 83 GLU C C 174.903 0.1 1 723 83 83 GLU CA C 56.800 0.1 1 724 83 83 GLU CB C 32.563 0.1 1 725 83 83 GLU CG C 35.533 0.1 1 726 83 83 GLU N N 118.678 0.1 1 727 84 84 TYR H H 8.207 0.01 1 728 84 84 TYR HA H 4.730 0.01 1 729 84 84 TYR HB2 H 2.110 0.01 2 730 84 84 TYR HB3 H 2.940 0.01 2 731 84 84 TYR HD2 H 6.840 0.01 3 732 84 84 TYR HE2 H 6.760 0.01 3 733 84 84 TYR HH H 6.651 0.01 1 734 84 84 TYR C C 173.346 0.1 1 735 84 84 TYR CA C 55.095 0.1 1 736 84 84 TYR CB C 41.449 0.1 1 737 84 84 TYR N N 119.069 0.1 1 738 85 85 GLN H H 8.388 0.01 1 739 85 85 GLN HA H 4.792 0.01 1 740 85 85 GLN HB2 H 2.056 0.01 2 741 85 85 GLN HG2 H 2.494 0.01 2 742 85 85 GLN HE21 H 7.571 0.01 2 743 85 85 GLN HE22 H 6.869 0.01 2 744 85 85 GLN C C 175.238 0.1 1 745 85 85 GLN CA C 53.100 0.1 1 746 85 85 GLN CB C 29.488 0.1 1 747 85 85 GLN CG C 33.600 0.1 1 748 85 85 GLN N N 119.850 0.1 1 749 85 85 GLN NE2 N 112.520 0.1 1 750 86 86 PRO HA H 4.440 0.01 1 751 86 86 PRO HB2 H 1.893 0.01 2 752 86 86 PRO HB3 H 1.965 0.01 2 753 86 86 PRO HG2 H 2.100 0.01 2 754 86 86 PRO HD2 H 4.152 0.01 2 755 86 86 PRO HD3 H 3.929 0.01 2 756 86 86 PRO C C 176.916 0.1 1 757 86 86 PRO CA C 62.600 0.1 1 758 86 86 PRO CB C 31.648 0.1 1 759 86 86 PRO CG C 27.400 0.1 1 760 86 86 PRO CD C 50.900 0.1 1 761 87 87 ARG H H 8.271 0.01 1 762 87 87 ARG HA H 4.410 0.01 1 763 87 87 ARG HB2 H 1.667 0.01 2 764 87 87 ARG HB3 H 1.778 0.01 2 765 87 87 ARG HG2 H 1.636 0.01 2 766 87 87 ARG HG3 H 1.760 0.01 2 767 87 87 ARG HD2 H 3.078 0.01 2 768 87 87 ARG HD3 H 2.997 0.01 2 769 87 87 ARG CA C 55.600 0.1 1 770 87 87 ARG CB C 30.670 0.1 1 771 87 87 ARG CG C 26.800 0.1 1 772 87 87 ARG CD C 44.805 0.1 1 773 87 87 ARG N N 120.985 0.1 1 774 88 88 PRO HA H 4.470 0.01 1 775 88 88 PRO HB2 H 1.750 0.01 2 776 88 88 PRO HB3 H 2.570 0.01 2 777 88 88 PRO HG2 H 2.201 0.01 2 778 88 88 PRO HG3 H 2.105 0.01 2 779 88 88 PRO HD2 H 3.937 0.01 2 780 88 88 PRO HD3 H 3.360 0.01 2 781 88 88 PRO CA C 63.200 0.1 1 782 88 88 PRO CB C 32.270 0.1 1 783 88 88 PRO CG C 28.500 0.1 1 784 88 88 PRO CD C 50.100 0.1 1 785 89 89 VAL H H 8.708 0.01 1 786 89 89 VAL HA H 3.490 0.01 1 787 89 89 VAL HB H 2.061 0.01 1 788 89 89 VAL HG1 H 1.108 0.01 2 789 89 89 VAL HG2 H 0.891 0.01 2 790 89 89 VAL C C 176.733 0.1 1 791 89 89 VAL CA C 67.473 0.1 1 792 89 89 VAL CB C 31.700 0.1 1 793 89 89 VAL CG1 C 22.718 0.1 1 794 89 89 VAL CG2 C 21.254 0.1 1 795 89 89 VAL N N 125.533 0.1 1 796 90 90 GLU H H 9.360 0.01 1 797 90 90 GLU HA H 4.010 0.01 1 798 90 90 GLU HB3 H 2.030 0.01 2 799 90 90 GLU HG2 H 2.350 0.01 2 800 90 90 GLU C C 179.510 0.1 1 801 90 90 GLU CA C 59.800 0.1 1 802 90 90 GLU CB C 28.719 0.1 1 803 90 90 GLU CG C 36.370 0.1 1 804 90 90 GLU N N 117.208 0.1 1 805 91 91 VAL H H 7.137 0.01 1 806 91 91 VAL HA H 3.840 0.01 1 807 91 91 VAL HB H 2.188 0.01 1 808 91 91 VAL HG1 H 1.050 0.01 2 809 91 91 VAL HG2 H 0.901 0.01 2 810 91 91 VAL C C 178.381 0.1 1 811 91 91 VAL CA C 64.906 0.1 1 812 91 91 VAL CB C 31.890 0.1 1 813 91 91 VAL CG1 C 22.000 0.1 1 814 91 91 VAL CG2 C 19.848 0.1 1 815 91 91 VAL N N 119.850 0.1 1 816 92 92 ILE H H 8.010 0.01 1 817 92 92 ILE HA H 3.300 0.01 1 818 92 92 ILE HB H 1.953 0.01 1 819 92 92 ILE HG12 H 1.179 0.01 1 820 92 92 ILE HG13 H 1.681 0.01 1 821 92 92 ILE HG2 H 0.730 0.01 1 822 92 92 ILE HD1 H 0.922 0.01 1 823 92 92 ILE C C 177.766 0.1 1 824 92 92 ILE CA C 66.448 0.1 1 825 92 92 ILE CB C 38.663 0.1 1 826 92 92 ILE CG1 C 27.017 0.1 1 827 92 92 ILE CG2 C 18.000 0.1 1 828 92 92 ILE CD1 C 14.355 0.1 1 829 92 92 ILE N N 122.443 0.1 1 830 93 93 ILE H H 8.310 0.01 1 831 93 93 ILE HA H 3.514 0.01 1 832 93 93 ILE HB H 1.921 0.01 1 833 93 93 ILE HG12 H 1.320 0.01 1 834 93 93 ILE HG13 H 1.633 0.01 1 835 93 93 ILE HG2 H 0.905 0.01 1 836 93 93 ILE HD1 H 0.808 0.01 1 837 93 93 ILE C C 177.984 0.1 1 838 93 93 ILE CA C 64.959 0.1 1 839 93 93 ILE CB C 36.933 0.1 1 840 93 93 ILE CG1 C 28.270 0.1 1 841 93 93 ILE CG2 C 17.520 0.1 1 842 93 93 ILE CD1 C 12.546 0.1 1 843 93 93 ILE N N 115.255 0.1 1 844 94 94 SER H H 7.929 0.01 1 845 94 94 SER HA H 4.120 0.01 1 846 94 94 SER C C 176.886 0.1 1 847 94 94 SER CA C 62.300 0.1 1 848 94 94 SER N N 115.268 0.1 1 849 95 95 SER H H 8.160 0.01 1 850 95 95 SER HA H 4.218 0.01 1 851 95 95 SER HB2 H 3.985 0.01 2 852 95 95 SER HB3 H 3.851 0.01 2 853 95 95 SER C C 176.886 0.1 1 854 95 95 SER CA C 62.100 0.1 1 855 95 95 SER CB C 63.000 0.1 1 856 95 95 SER N N 117.795 0.1 1 857 96 96 ALA H H 8.106 0.01 1 858 96 96 ALA HA H 3.900 0.01 1 859 96 96 ALA HB H 1.380 0.01 1 860 96 96 ALA C C 179.510 0.1 1 861 96 96 ALA CA C 55.120 0.1 1 862 96 96 ALA CB C 19.686 0.1 1 863 97 97 LYS H H 8.240 0.01 1 864 97 97 LYS HA H 3.800 0.01 1 865 97 97 LYS HB3 H 1.900 0.01 2 866 97 97 LYS HG2 H 1.710 0.01 2 867 97 97 LYS HG3 H 1.218 0.01 2 868 97 97 LYS HD2 H 1.630 0.01 2 869 97 97 LYS HE2 H 2.738 0.01 2 870 97 97 LYS HE3 H 2.826 0.01 2 871 97 97 LYS C C 179.711 0.1 1 872 97 97 LYS CA C 60.226 0.1 1 873 97 97 LYS CB C 32.563 0.1 1 874 97 97 LYS CG C 26.669 0.1 1 875 97 97 LYS CD C 29.800 0.1 1 876 97 97 LYS CE C 42.100 0.1 1 877 97 97 LYS N N 115.846 0.1 1 878 98 98 GLU H H 7.500 0.01 1 879 98 98 GLU HA H 4.140 0.01 1 880 98 98 GLU HB3 H 2.150 0.01 2 881 98 98 GLU HG2 H 2.400 0.01 2 882 98 98 GLU HG3 H 2.480 0.01 2 883 98 98 GLU C C 177.313 0.1 1 884 98 98 GLU CA C 58.099 0.1 1 885 98 98 GLU CB C 29.918 0.1 1 886 98 98 GLU CG C 36.400 0.1 1 887 98 98 GLU N N 117.018 0.1 1 888 99 99 MET H H 7.380 0.01 1 889 99 99 MET HA H 4.520 0.01 1 890 99 99 MET HB3 H 2.330 0.01 2 891 99 99 MET HG2 H 2.768 0.01 2 892 99 99 MET HG3 H 2.885 0.01 2 893 99 99 MET HE H 2.138 0.01 1 894 99 99 MET C C 175.909 0.1 1 895 99 99 MET CA C 55.049 0.1 1 896 99 99 MET CB C 33.716 0.1 1 897 99 99 MET CG C 32.392 0.1 1 898 99 99 MET CE C 17.227 0.1 1 899 99 99 MET N N 114.669 0.1 1 900 100 100 VAL H H 7.060 0.01 1 901 100 100 VAL HA H 3.250 0.01 1 902 100 100 VAL HB H 2.090 0.01 1 903 100 100 VAL HG1 H 1.136 0.01 2 904 100 100 VAL HG2 H 1.052 0.01 2 905 100 100 VAL C C 177.038 0.1 1 906 100 100 VAL CA C 65.916 0.1 1 907 100 100 VAL CB C 31.410 0.1 1 908 100 100 VAL CG1 C 24.400 0.1 1 909 100 100 VAL CG2 C 21.879 0.1 1 910 100 100 VAL N N 119.167 0.1 1 911 101 101 GLY H H 8.971 0.01 1 912 101 101 GLY HA2 H 3.815 0.01 2 913 101 101 GLY HA3 H 4.514 0.01 2 914 101 101 GLY C C 174.750 0.1 1 915 101 101 GLY CA C 44.431 0.1 1 916 101 101 GLY N N 116.705 0.1 1 917 102 102 GLN H H 8.120 0.01 1 918 102 102 GLN HA H 4.208 0.01 1 919 102 102 GLN HB3 H 2.090 0.01 2 920 102 102 GLN HG2 H 2.407 0.01 2 921 102 102 GLN HG3 H 2.513 0.01 2 922 102 102 GLN HE21 H 6.839 0.01 2 923 102 102 GLN HE22 H 7.497 0.01 2 924 102 102 GLN C C 174.994 0.1 1 925 102 102 GLN CA C 56.663 0.1 1 926 102 102 GLN CB C 29.000 0.1 1 927 102 102 GLN CG C 34.500 0.1 1 928 102 102 GLN N N 120.004 0.1 1 929 103 103 LYS H H 8.343 0.01 1 930 103 103 LYS HA H 5.220 0.01 1 931 103 103 LYS HB3 H 1.690 0.01 2 932 103 103 LYS HG2 H 1.322 0.01 2 933 103 103 LYS HG3 H 1.490 0.01 2 934 103 103 LYS HD2 H 1.588 0.01 2 935 103 103 LYS HD3 H 1.481 0.01 2 936 103 103 LYS HE2 H 2.947 0.01 2 937 103 103 LYS C C 176.733 0.1 1 938 103 103 LYS CA C 54.642 0.1 1 939 103 103 LYS CB C 34.196 0.1 1 940 103 103 LYS CG C 25.200 0.1 1 941 103 103 LYS CD C 28.939 0.1 1 942 103 103 LYS CE C 42.400 0.1 1 943 103 103 LYS N N 120.534 0.1 1 944 104 104 MET H H 8.544 0.01 1 945 104 104 MET HA H 4.710 0.01 1 946 104 104 MET HB2 H 1.670 0.01 2 947 104 104 MET HB3 H 2.110 0.01 2 948 104 104 MET HG2 H 2.220 0.01 2 949 104 104 MET HG3 H 2.354 0.01 2 950 104 104 MET HE H 1.975 0.01 1 951 104 104 MET C C 174.231 0.1 1 952 104 104 MET CA C 54.276 0.1 1 953 104 104 MET CB C 36.695 0.1 1 954 104 104 MET CG C 32.500 0.1 1 955 104 104 MET CE C 17.727 0.1 1 956 104 104 MET N N 119.872 0.1 1 957 105 105 LYS H H 8.330 0.01 1 958 105 105 LYS HA H 4.370 0.01 1 959 105 105 LYS HB2 H 1.715 0.01 2 960 105 105 LYS HG2 H 1.467 0.01 2 961 105 105 LYS HG3 H 1.362 0.01 2 962 105 105 LYS HD3 H 1.685 0.01 2 963 105 105 LYS HE2 H 2.985 0.01 2 964 105 105 LYS C C 175.517 0.1 1 965 105 105 LYS CA C 57.000 0.1 1 966 105 105 LYS CB C 32.851 0.1 1 967 105 105 LYS CG C 24.855 0.1 1 968 105 105 LYS CD C 29.300 0.1 1 969 105 105 LYS CE C 42.017 0.1 1 970 105 105 LYS N N 121.148 0.1 1 971 106 106 TYR HD1 H 6.070 0.01 3 972 106 106 TYR CA C 59.647 0.1 1 973 106 106 TYR CB C 38.086 0.1 1 974 107 107 SER H H 8.290 0.01 1 975 107 107 SER HA H 4.507 0.01 1 976 107 107 SER HB2 H 4.025 0.01 2 977 107 107 SER HB3 H 3.763 0.01 2 978 107 107 SER C C 178.002 0.1 1 979 107 107 SER CA C 55.552 0.1 1 980 107 107 SER CB C 74.790 0.1 1 981 107 107 SER N N 114.669 0.1 1 982 108 108 ILE HA H 4.221 0.01 1 983 108 108 ILE HB H 1.849 0.01 1 984 108 108 ILE HG12 H 1.170 0.01 1 985 108 108 ILE HG13 H 1.460 0.01 1 986 108 108 ILE HG2 H 0.893 0.01 1 987 108 108 ILE HD1 H 0.818 0.01 1 988 108 108 ILE CA C 60.800 0.1 1 989 108 108 ILE CB C 38.400 0.1 1 990 108 108 ILE CG1 C 27.200 0.1 1 991 108 108 ILE CG2 C 17.500 0.1 1 992 108 108 ILE CD1 C 12.600 0.1 1 993 109 109 VAL HA H 4.130 0.01 1 994 109 109 VAL HB H 2.120 0.01 1 995 109 109 VAL HG2 H 0.913 0.01 2 996 109 109 VAL CA C 62.670 0.1 1 997 109 109 VAL CB C 32.530 0.1 1 998 109 109 VAL CG2 C 21.000 0.1 1 999 110 110 SER H H 8.130 0.01 1 1000 110 110 SER HA H 4.360 0.01 1 1001 110 110 SER HB2 H 3.820 0.01 2 1002 110 110 SER HB3 H 3.770 0.01 2 1003 110 110 SER C C 174.079 0.1 1 1004 110 110 SER CA C 58.670 0.1 1 1005 110 110 SER CB C 63.736 0.1 1 1006 111 111 ARG H H 8.239 0.01 1 1007 111 111 ARG HA H 4.250 0.01 1 1008 111 111 ARG HB2 H 1.832 0.01 2 1009 111 111 ARG HB3 H 1.963 0.01 2 1010 111 111 ARG HG2 H 1.621 0.01 2 1011 111 111 ARG HG3 H 1.815 0.01 2 1012 111 111 ARG HD2 H 3.308 0.01 2 1013 111 111 ARG HD3 H 3.249 0.01 2 1014 111 111 ARG C C 175.391 0.1 1 1015 111 111 ARG CA C 56.237 0.1 1 1016 111 111 ARG CB C 30.687 0.1 1 1017 111 111 ARG CG C 27.025 0.1 1 1018 111 111 ARG CD C 43.997 0.1 1 1019 111 111 ARG N N 121.671 0.1 1 1020 112 112 ASN H H 8.110 0.01 1 1021 112 112 ASN HA H 4.790 0.01 1 1022 112 112 ASN HB2 H 3.034 0.01 2 1023 112 112 ASN HB3 H 2.875 0.01 2 1024 112 112 ASN HD21 H 7.094 0.01 2 1025 112 112 ASN HD22 H 7.545 0.01 2 1026 112 112 ASN C C 175.526 0.1 1 1027 112 112 ASN CA C 55.705 0.1 1 1028 112 112 ASN CB C 38.328 0.1 1 1029 112 112 ASN N N 121.899 0.1 1 1030 112 112 ASN ND2 N 111.348 0.1 1 1031 113 113 CYS H H 7.120 0.01 1 1032 113 113 CYS HA H 4.488 0.01 1 1033 113 113 CYS HB3 H 3.656 0.01 2 1034 113 113 CYS C C 176.337 0.1 1 1035 113 113 CYS CA C 61.609 0.1 1 1036 113 113 CYS CB C 27.200 0.1 1 1037 114 114 GLU H H 7.780 0.01 1 1038 114 114 GLU HA H 3.448 0.01 1 1039 114 114 GLU HB2 H 1.373 0.01 2 1040 114 114 GLU HB3 H 1.741 0.01 2 1041 114 114 GLU HG2 H 1.259 0.01 2 1042 114 114 GLU HG3 H 0.417 0.01 2 1043 114 114 GLU C C 177.862 0.1 1 1044 114 114 GLU CA C 58.577 0.1 1 1045 114 114 GLU CB C 30.110 0.1 1 1046 114 114 GLU CG C 34.139 0.1 1 1047 114 114 GLU N N 124.923 0.1 1 1048 115 115 HIS H H 8.047 0.01 1 1049 115 115 HIS HA H 4.370 0.01 1 1050 115 115 HIS HB3 H 3.140 0.01 2 1051 115 115 HIS C C 177.161 0.1 1 1052 115 115 HIS CA C 58.600 0.1 1 1053 115 115 HIS CB C 30.400 0.1 1 1054 115 115 HIS N N 119.320 0.1 1 1055 116 116 PHE H H 8.164 0.01 1 1056 116 116 PHE HA H 4.350 0.01 1 1057 116 116 PHE HB2 H 3.076 0.01 2 1058 116 116 PHE HB3 H 3.495 0.01 2 1059 116 116 PHE HD1 H 7.326 0.01 3 1060 116 116 PHE HE1 H 7.178 0.01 3 1061 116 116 PHE HE2 H 7.089 0.01 3 1062 116 116 PHE HZ H 7.422 0.01 1 1063 116 116 PHE CA C 61.077 0.1 1 1064 116 116 PHE CB C 39.700 0.1 1 1065 116 116 PHE N N 117.150 0.1 1 1066 117 117 VAL H H 7.142 0.01 1 1067 117 117 VAL HA H 3.850 0.01 1 1068 117 117 VAL HB H 2.310 0.01 1 1069 117 117 VAL HG1 H 1.220 0.01 2 1070 117 117 VAL HG2 H 1.350 0.01 2 1071 117 117 VAL C C 177.984 0.1 1 1072 117 117 VAL CA C 64.427 0.1 1 1073 117 117 VAL CB C 30.398 0.1 1 1074 117 117 VAL CG1 C 24.100 0.1 1 1075 117 117 VAL CG2 C 20.800 0.1 1 1076 117 117 VAL N N 108.248 0.1 1 1077 118 118 THR H H 8.435 0.01 1 1078 118 118 THR HA H 4.030 0.01 1 1079 118 118 THR HB H 4.298 0.01 1 1080 118 118 THR HG2 H 1.219 0.01 1 1081 118 118 THR C C 178.253 0.1 1 1082 118 118 THR CA C 66.714 0.1 1 1083 118 118 THR CB C 68.271 0.1 1 1084 118 118 THR CG2 C 22.350 0.1 1 1085 118 118 THR N N 117.385 0.1 1 1086 119 119 GLN H H 8.063 0.01 1 1087 119 119 GLN HA H 3.890 0.01 1 1088 119 119 GLN HB2 H 1.940 0.01 2 1089 119 119 GLN HB3 H 2.069 0.01 2 1090 119 119 GLN HG2 H 2.158 0.01 2 1091 119 119 GLN HG3 H 2.303 0.01 2 1092 119 119 GLN HE21 H 6.649 0.01 2 1093 119 119 GLN HE22 H 7.211 0.01 2 1094 119 119 GLN CA C 58.849 0.1 1 1095 119 119 GLN CB C 27.730 0.1 1 1096 119 119 GLN CG C 34.308 0.1 1 1097 119 119 GLN N N 121.710 0.1 1 1098 119 119 GLN NE2 N 110.665 0.1 1 1099 120 120 LEU H H 6.858 0.01 1 1100 120 120 LEU HA H 3.840 0.01 1 1101 120 120 LEU HB2 H 0.982 0.01 2 1102 120 120 LEU HB3 H 1.810 0.01 2 1103 120 120 LEU HG H 1.360 0.01 1 1104 120 120 LEU HD1 H 0.563 0.01 2 1105 120 120 LEU HD2 H 0.310 0.01 2 1106 120 120 LEU C C 178.351 0.1 1 1107 120 120 LEU CA C 57.360 0.1 1 1108 120 120 LEU CB C 42.076 0.1 1 1109 120 120 LEU CG C 26.000 0.1 1 1110 120 120 LEU CD1 C 22.388 0.1 1 1111 120 120 LEU CD2 C 26.130 0.1 1 1112 120 120 LEU N N 117.995 0.1 1 1113 121 121 ARG H H 7.650 0.01 1 1114 121 121 ARG HA H 3.920 0.01 1 1115 121 121 ARG HB2 H 1.370 0.01 2 1116 121 121 ARG HB3 H 1.240 0.01 2 1117 121 121 ARG HG2 H 1.439 0.01 2 1118 121 121 ARG HG3 H -0.092 0.01 2 1119 121 121 ARG HD2 H 2.678 0.01 2 1120 121 121 ARG HD3 H 2.977 0.01 2 1121 121 121 ARG HE H 8.107 0.01 1 1122 121 121 ARG C C 175.330 0.1 1 1123 121 121 ARG CA C 59.200 0.1 1 1124 121 121 ARG CB C 30.256 0.1 1 1125 121 121 ARG CG C 28.300 0.1 1 1126 121 121 ARG CD C 43.451 0.1 1 1127 121 121 ARG N N 117.193 0.1 1 1128 122 122 TYR H H 8.110 0.01 1 1129 122 122 TYR HA H 4.640 0.01 1 1130 122 122 TYR HB2 H 2.670 0.01 2 1131 122 122 TYR HB3 H 2.980 0.01 2 1132 122 122 TYR HD1 H 6.800 0.01 3 1133 122 122 TYR C C 176.794 0.1 1 1134 122 122 TYR CA C 58.577 0.1 1 1135 122 122 TYR CB C 39.674 0.1 1 1136 122 122 TYR N N 111.968 0.1 1 1137 123 123 GLY H H 7.970 0.01 1 1138 123 123 GLY HA2 H 3.751 0.01 2 1139 123 123 GLY HA3 H 4.060 0.01 2 1140 123 123 GLY C C 172.370 0.1 1 1141 123 123 GLY CA C 45.016 0.1 1 1142 123 123 GLY N N 109.613 0.1 1 1143 124 124 LYS H H 7.540 0.01 1 1144 124 124 LYS HA H 4.340 0.01 1 1145 124 124 LYS HB2 H 1.468 0.01 2 1146 124 124 LYS HB3 H 1.660 0.01 2 1147 124 124 LYS HG2 H 1.086 0.01 2 1148 124 124 LYS HG3 H 1.138 0.01 2 1149 124 124 LYS HD2 H 1.382 0.01 2 1150 124 124 LYS HE2 H 2.797 0.01 2 1151 124 124 LYS C C 174.514 0.1 1 1152 124 124 LYS CA C 55.440 0.1 1 1153 124 124 LYS CB C 33.908 0.1 1 1154 124 124 LYS CG C 23.745 0.1 1 1155 124 124 LYS CD C 28.934 0.1 1 1156 124 124 LYS CE C 42.228 0.1 1 1157 124 124 LYS N N 118.288 0.1 1 1158 125 125 SER H H 7.872 0.01 1 1159 125 125 SER HA H 4.210 0.01 1 1160 125 125 SER HB2 H 3.760 0.01 2 1161 125 125 SER C C 178.534 0.1 1 1162 125 125 SER CA C 60.000 0.1 1 1163 125 125 SER CB C 64.800 0.1 1 1164 125 125 SER N N 121.796 0.1 1 stop_ save_