data_5072 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CD3 Epsilon and gamma Ectodomain Fragment Complex in Single-Chain Construct ; _BMRB_accession_number 5072 _BMRB_flat_file_name bmr5072.str _Entry_type original _Submission_date 2001-07-09 _Accession_date 2001-07-09 _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 Sun Z.-Y. J . 2 Kim K. S. . 3 Wagner G. . . 4 Reinherz E. L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 868 "13C chemical shifts" 564 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-07-17 original BMRB . stop_ _Original_release_date 2001-07-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mechanisms Contributing to T Cell Receptor Signaling and Assembly Revealed by the Solution Structure of an Ectodomain Fragment of the CD3eg Heterodimer ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11439187 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sun Z.Y. J . 2 Kim K. S. . 3 Wagner G. . . 4 Reinherz E. L. . stop_ _Journal_abbreviation Cell _Journal_volume 105 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 913 _Page_last 923 _Year 2001 _Details . loop_ _Keyword 'C2-set immunoglobulin superfamily' 'H-bonded G strand pair' beta-sheet single-chain stop_ save_ ################################## # Molecular system description # ################################## save_system_CD3eg _Saveframe_category molecular_system _Mol_system_name 'CD3 Epsilon and gamma Ectodomain Fragment Complex' _Abbreviation_common CD3eg _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'linked CD3 ectodomains' $CD3eg stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CD3eg _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CD3 epsilon and gamma ectodomain' _Abbreviation_common CD3eg _Molecular_mass 20604 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 186 _Mol_residue_sequence ; DDAENIEYKVSISGTSVELT CPLDSDENLKWEKNGQELPQ KHDKHLVLQDFSEVEDSGYY VCYTPASNKNTYLYLKARVG SADDAKKDAAKKDDAKKDDA KKDGSQTNKAKNLVQVDGSR GDGSVLLTCGLTDKTIKWLK DGSIISPLNATKNTWNLGNN AKDPRGTYQCQGAKETSNPL QVYYRM ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 ASP 3 ALA 4 GLU 5 ASN 6 ILE 7 GLU 8 TYR 9 LYS 10 VAL 11 SER 12 ILE 13 SER 14 GLY 15 THR 16 SER 17 VAL 18 GLU 19 LEU 20 THR 21 CYS 22 PRO 23 LEU 24 ASP 25 SER 26 ASP 27 GLU 28 ASN 29 LEU 30 LYS 31 TRP 32 GLU 33 LYS 34 ASN 35 GLY 36 GLN 37 GLU 38 LEU 39 PRO 40 GLN 41 LYS 42 HIS 43 ASP 44 LYS 45 HIS 46 LEU 47 VAL 48 LEU 49 GLN 50 ASP 51 PHE 52 SER 53 GLU 54 VAL 55 GLU 56 ASP 57 SER 58 GLY 59 TYR 60 TYR 61 VAL 62 CYS 63 TYR 64 THR 65 PRO 66 ALA 67 SER 68 ASN 69 LYS 70 ASN 71 THR 72 TYR 73 LEU 74 TYR 75 LEU 76 LYS 77 ALA 78 ARG 79 VAL 80 GLY 81 SER 82 ALA 83 ASP 84 ASP 85 ALA 86 LYS 87 LYS 88 ASP 89 ALA 90 ALA 91 LYS 92 LYS 93 ASP 94 ASP 95 ALA 96 LYS 97 LYS 98 ASP 99 ASP 100 ALA 101 LYS 102 LYS 103 ASP 104 GLY 105 SER 106 GLN 107 THR 108 ASN 109 LYS 110 ALA 111 LYS 112 ASN 113 LEU 114 VAL 115 GLN 116 VAL 117 ASP 118 GLY 119 SER 120 ARG 121 GLY 122 ASP 123 GLY 124 SER 125 VAL 126 LEU 127 LEU 128 THR 129 CYS 130 GLY 131 LEU 132 THR 133 ASP 134 LYS 135 THR 136 ILE 137 LYS 138 TRP 139 LEU 140 LYS 141 ASP 142 GLY 143 SER 144 ILE 145 ILE 146 SER 147 PRO 148 LEU 149 ASN 150 ALA 151 THR 152 LYS 153 ASN 154 THR 155 TRP 156 ASN 157 LEU 158 GLY 159 ASN 160 ASN 161 ALA 162 LYS 163 ASP 164 PRO 165 ARG 166 GLY 167 THR 168 TYR 169 GLN 170 CYS 171 GLN 172 GLY 173 ALA 174 LYS 175 GLU 176 THR 177 SER 178 ASN 179 PRO 180 LEU 181 GLN 182 VAL 183 TYR 184 TYR 185 ARG 186 MET stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1JBJ 'Cd3 Epsilon And Gamma Ectodomain Fragment Complex In Single- Chain Construct' 100.00 186 100.00 100.00 4.94e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Cell_type _Gene_mnemonic $CD3eg Mouse 10090 Eukaryota Metazoa Mus musculus T-lymphocyte CD3e/CD3g stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $CD3eg 'recombinant technology' 'E. coli' Escherichia coli B834(DE3) plasmid pET-11a 'Part of a single-chain construct.' 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 $CD3eg 0.5 mM '[U-15N; U-13C; U-2H]' 'sodium acetate' 5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD3eg 0.5 mM . 'sodium acetate' 5 mM . D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD3eg 0.5 mM '[U-15N; U-13C; U-70% 2H]' 'sodium acetate' 5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD3eg 0.5 mM [U-15N] 'sodium acetate' 5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD3eg 0.5 mM [U-13C] 'sodium acetate' 5 mM . D2O 100 % . stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD3eg 0.5 mM '[U-10% 13C]' 'sodium acetate' 5 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Saveframe_category software _Name PROSA _Version 3.7 loop_ _Task processing stop_ _Details Guntert save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details Bartels save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.4 loop_ _Task 'structure solution' stop_ _Details Guntert save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.1 loop_ _Task 'structure solution' stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HN(CA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label . save_ save_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_2D-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY _Sample_label . save_ save_2D-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-TOCSY _Sample_label . save_ save_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_15N-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _Sample_label . save_ save_15N-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY _Sample_label . save_ save_13C-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _Sample_label . save_ save_13C-HCCHTOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HCCHTOCSY _Sample_label . save_ save_13C-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ save_15N-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_HNHA_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_17 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 4.5 0.1 n/a pressure 1 . atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCA HN(CO)CA HN(CA)CB HN(COCA)CB HNCO HN(CA)CO 2D-NOESY 2D-TOCSY H(CCO)NH 15N-NOESY 15N-TOCSY 13C-NOESY 13C-HCCHTOCSY 13C-HSQC 15N-HSQC HNHA HNHB stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'linked CD3 ectodomains' _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 . 2 ASP CA C 53.586 0.000 1 2 . 2 ASP HA H 4.542 0.000 1 3 . 2 ASP CB C 39.635 0.000 1 4 . 2 ASP HB2 H 2.716 0.000 1 5 . 2 ASP HB3 H 2.716 0.000 1 6 . 2 ASP C C 175.657 0.000 1 7 . 3 ALA N N 123.583 0.000 1 8 . 3 ALA H H 8.304 0.000 1 9 . 3 ALA CA C 52.234 0.000 1 10 . 3 ALA HA H 4.231 0.000 1 11 . 3 ALA HB H 1.359 0.000 1 12 . 3 ALA CB C 17.767 0.000 1 13 . 3 ALA C C 177.585 0.000 1 14 . 4 GLU N N 117.677 0.000 1 15 . 4 GLU H H 8.187 0.000 1 16 . 4 GLU CA C 55.741 0.000 1 17 . 4 GLU HA H 4.208 0.000 1 18 . 4 GLU CB C 28.671 0.000 1 19 . 4 GLU HB2 H 2.037 0.000 2 20 . 4 GLU HB3 H 1.954 0.000 2 21 . 4 GLU CG C 33.866 0.000 1 22 . 4 GLU HG2 H 2.318 0.000 1 23 . 4 GLU HG3 H 2.318 0.000 1 24 . 4 GLU C C 175.949 0.000 1 25 . 5 ASN N N 118.521 0.000 1 26 . 5 ASN H H 8.253 0.000 1 27 . 5 ASN CA C 52.765 0.000 1 28 . 5 ASN HA H 4.709 0.000 1 29 . 5 ASN CB C 37.823 0.000 1 30 . 5 ASN HB2 H 2.768 0.000 1 31 . 5 ASN HB3 H 2.768 0.000 1 32 . 5 ASN ND2 N 112.861 0.000 1 33 . 5 ASN HD21 H 7.663 0.000 2 34 . 5 ASN HD22 H 6.850 0.000 2 35 . 5 ASN C C 174.522 0.000 1 36 . 6 ILE N N 117.567 0.000 1 37 . 6 ILE H H 7.926 0.000 1 38 . 6 ILE CA C 60.082 0.000 1 39 . 6 ILE HA H 4.246 0.000 1 40 . 6 ILE CB C 37.933 0.000 1 41 . 6 ILE HB H 1.925 0.000 1 42 . 6 ILE HG2 H 0.851 0.000 1 43 . 6 ILE CG2 C 16.879 0.000 1 44 . 6 ILE CG1 C 25.902 0.000 1 45 . 6 ILE HG12 H 1.350 0.000 2 46 . 6 ILE HG13 H 1.136 0.000 2 47 . 6 ILE HD1 H 0.816 0.000 1 48 . 6 ILE CD1 C 12.230 0.000 1 49 . 6 ILE C C 174.973 0.000 1 50 . 7 GLU N N 120.752 0.000 1 51 . 7 GLU H H 7.816 0.000 1 52 . 7 GLU CA C 54.909 0.000 1 53 . 7 GLU HA H 4.518 0.000 1 54 . 7 GLU CB C 29.957 0.000 1 55 . 7 GLU HB2 H 2.090 0.000 2 56 . 7 GLU HB3 H 1.941 0.000 2 57 . 7 GLU HG2 H 2.314 0.000 1 58 . 7 GLU HG3 H 2.314 0.000 1 59 . 7 GLU C C 177.090 0.000 1 60 . 8 TYR N N 121.052 0.000 1 61 . 8 TYR H H 10.371 0.000 1 62 . 8 TYR CA C 57.886 0.000 1 63 . 8 TYR HA H 4.558 0.000 1 64 . 8 TYR CB C 38.029 0.000 1 65 . 8 TYR HB2 H 2.887 0.000 2 66 . 8 TYR HB3 H 2.560 0.000 2 67 . 8 TYR HD1 H 7.288 0.000 1 68 . 8 TYR HE1 H 6.825 0.000 1 69 . 8 TYR HE2 H 6.825 0.000 1 70 . 8 TYR HD2 H 7.288 0.000 1 71 . 8 TYR C C 177.030 0.000 1 72 . 9 LYS N N 120.771 0.000 1 73 . 9 LYS H H 7.520 0.000 1 74 . 9 LYS CA C 54.258 0.000 1 75 . 9 LYS HA H 4.663 0.000 1 76 . 9 LYS CB C 32.111 0.000 1 77 . 9 LYS HB2 H 1.840 0.000 1 78 . 9 LYS HB3 H 1.840 0.000 1 79 . 9 LYS HG2 H 1.399 0.000 1 80 . 9 LYS HG3 H 1.399 0.000 1 81 . 9 LYS HD2 H 1.625 0.000 1 82 . 9 LYS HD3 H 1.625 0.000 1 83 . 9 LYS HE2 H 2.971 0.000 1 84 . 9 LYS HE3 H 2.971 0.000 1 85 . 9 LYS C C 174.778 0.000 1 86 . 10 VAL N N 123.583 0.000 1 87 . 10 VAL H H 8.385 0.000 1 88 . 10 VAL CA C 60.355 0.000 1 89 . 10 VAL HA H 4.443 0.000 1 90 . 10 VAL CB C 33.285 0.000 1 91 . 10 VAL HB H 1.071 0.000 1 92 . 10 VAL HG1 H -0.140 0.000 2 93 . 10 VAL HG2 H 0.175 0.000 2 94 . 10 VAL CG1 C 19.339 0.000 1 95 . 10 VAL CG2 C 18.793 0.000 1 96 . 10 VAL C C 174.913 0.000 1 97 . 11 SER N N 121.615 0.000 1 98 . 11 SER H H 8.700 0.000 1 99 . 11 SER CA C 55.741 0.000 1 100 . 11 SER HA H 4.706 0.000 1 101 . 11 SER CB C 64.218 0.000 1 102 . 11 SER HB2 H 3.647 0.000 2 103 . 11 SER HB3 H 3.575 0.000 2 104 . 11 SER C C 172.270 0.000 1 105 . 12 ILE N N 126.717 0.000 1 106 . 12 ILE H H 8.670 0.000 1 107 . 12 ILE CA C 60.082 0.000 1 108 . 12 ILE HA H 4.494 0.000 1 109 . 12 ILE CB C 38.480 0.000 1 110 . 12 ILE HB H 1.630 0.000 1 111 . 12 ILE HG2 H 0.700 0.000 1 112 . 12 ILE CG2 C 16.332 0.000 1 113 . 12 ILE HG12 H 1.320 0.000 1 114 . 12 ILE HG13 H 1.320 0.000 1 115 . 12 ILE HD1 H 0.597 0.000 1 116 . 12 ILE CD1 C 11.957 0.000 1 117 . 12 ILE C C 175.331 0.000 1 118 . 13 SER N N 123.451 0.000 1 119 . 13 SER H H 8.433 0.000 1 120 . 13 SER CA C 55.468 0.000 1 121 . 13 SER HA H 4.612 0.000 1 122 . 13 SER CB C 62.946 0.000 1 123 . 13 SER HB2 H 3.679 0.000 2 124 . 13 SER HB3 H 3.571 0.000 2 125 . 13 SER C C 174.312 0.000 1 126 . 14 GLY N N 117.677 0.000 1 127 . 14 GLY H H 9.103 0.000 1 128 . 14 GLY CA C 46.171 0.000 1 129 . 14 GLY HA2 H 4.104 0.000 2 130 . 14 GLY HA3 H 3.667 0.000 2 131 . 14 GLY C C 174.387 0.000 1 132 . 15 THR N N 115.427 0.000 1 133 . 15 THR H H 8.605 0.000 1 134 . 15 THR CA C 60.116 0.000 1 135 . 15 THR HA H 4.351 0.000 1 136 . 15 THR CB C 68.319 0.000 1 137 . 15 THR HB H 4.820 0.000 1 138 . 15 THR HG2 H 1.164 0.000 1 139 . 15 THR CG2 C 20.741 0.000 1 140 . 15 THR C C 172.946 0.000 1 141 . 16 SER N N 116.833 0.000 1 142 . 16 SER H H 8.224 0.000 1 143 . 16 SER CA C 56.288 0.000 1 144 . 16 SER HA H 5.322 0.000 1 145 . 16 SER CB C 64.491 0.000 1 146 . 16 SER HB2 H 3.814 0.000 2 147 . 16 SER HB3 H 3.610 0.000 2 148 . 16 SER C C 172.285 0.000 1 149 . 17 VAL N N 123.609 0.000 1 150 . 17 VAL H H 8.226 0.000 1 151 . 17 VAL CA C 60.082 0.000 1 152 . 17 VAL HA H 4.285 0.000 1 153 . 17 VAL CB C 33.558 0.000 1 154 . 17 VAL HB H 1.515 0.000 1 155 . 17 VAL HG1 H 0.227 0.000 2 156 . 17 VAL HG2 H -0.123 0.000 2 157 . 17 VAL CG1 C 19.886 0.000 1 158 . 17 VAL CG2 C 19.886 0.000 1 159 . 17 VAL C C 172.901 0.000 1 160 . 18 GLU N N 126.396 0.000 1 161 . 18 GLU H H 9.030 0.000 1 162 . 18 GLU CA C 53.007 0.000 1 163 . 18 GLU HA H 5.104 0.000 1 164 . 18 GLU CB C 30.369 0.000 1 165 . 18 GLU HB2 H 1.844 0.000 2 166 . 18 GLU HB3 H 1.769 0.000 2 167 . 18 GLU CG C 34.686 0.000 1 168 . 18 GLU HG2 H 1.927 0.000 1 169 . 18 GLU HG3 H 1.927 0.000 1 170 . 18 GLU C C 175.063 0.000 1 171 . 19 LEU N N 127.060 0.000 1 172 . 19 LEU H H 9.277 0.000 1 173 . 19 LEU CA C 52.186 0.000 1 174 . 19 LEU HA H 5.203 0.000 1 175 . 19 LEU CB C 44.257 0.000 1 176 . 19 LEU HB2 H 1.674 0.000 2 177 . 19 LEU HB3 H 1.187 0.000 2 178 . 19 LEU CG C 26.184 0.000 1 179 . 19 LEU HG H 1.187 0.000 1 180 . 19 LEU HD1 H 0.060 0.000 2 181 . 19 LEU HD2 H 0.348 0.000 2 182 . 19 LEU CD1 C 23.988 0.000 1 183 . 19 LEU CD2 C 24.268 0.000 1 184 . 19 LEU C C 176.519 0.000 1 185 . 20 THR N N 116.833 0.000 1 186 . 20 THR H H 9.045 0.000 1 187 . 20 THR CA C 60.936 0.000 1 188 . 20 THR HA H 5.028 0.000 1 189 . 20 THR CB C 68.866 0.000 1 190 . 20 THR HB H 3.931 0.000 1 191 . 20 THR HG2 H 0.950 0.000 1 192 . 20 THR CG2 C 20.468 0.000 1 193 . 20 THR C C 174.606 0.000 1 194 . 21 CYS N N 128.084 0.000 1 195 . 21 CYS H H 9.638 0.000 1 196 . 21 CYS CA C 52.673 0.000 1 197 . 21 CYS HA H 4.460 0.000 1 198 . 21 CYS CB C 40.624 0.000 1 199 . 21 CYS HB2 H 3.553 0.000 2 200 . 21 CYS HB3 H 3.036 0.000 2 201 . 21 CYS C C 172.608 0.000 1 202 . 22 PRO CA C 63.397 0.000 1 203 . 22 PRO HA H 4.252 0.000 1 204 . 22 PRO CB C 30.493 0.000 1 205 . 22 PRO HB2 H 1.913 0.000 2 206 . 22 PRO HB3 H 1.680 0.000 2 207 . 22 PRO HG2 H 1.435 0.000 2 208 . 22 PRO HG3 H 1.216 0.000 2 209 . 22 PRO HD2 H 2.916 0.000 1 210 . 22 PRO HD3 H 2.916 0.000 1 211 . 22 PRO C C 176.100 0.000 1 212 . 23 LEU N N 118.240 0.000 1 213 . 23 LEU H H 6.963 0.000 1 214 . 23 LEU CA C 53.280 0.000 1 215 . 23 LEU HA H 4.185 0.000 1 216 . 23 LEU CB C 41.249 0.000 1 217 . 23 LEU HB2 H 1.439 0.000 1 218 . 23 LEU HB3 H 1.439 0.000 1 219 . 23 LEU CG C 26.757 0.000 1 220 . 23 LEU HG H 1.384 0.000 1 221 . 23 LEU HD1 H 0.811 0.000 1 222 . 23 LEU HD2 H 0.811 0.000 1 223 . 23 LEU CD1 C 25.390 0.000 1 224 . 23 LEU CD2 C 21.288 0.000 1 225 . 23 LEU C C 175.612 0.000 1 226 . 24 ASP N N 118.240 0.000 1 227 . 24 ASP H H 8.033 0.000 1 228 . 24 ASP CA C 53.280 0.000 1 229 . 24 ASP HA H 4.482 0.000 1 230 . 24 ASP CB C 40.155 0.000 1 231 . 24 ASP HB2 H 2.722 0.000 2 232 . 24 ASP HB3 H 2.517 0.000 2 233 . 24 ASP C C 175.483 0.000 1 234 . 25 SER N N 113.458 0.000 1 235 . 25 SER H H 8.062 0.000 1 236 . 25 SER CA C 58.202 0.000 1 237 . 25 SER HA H 4.232 0.000 1 238 . 25 SER CB C 63.124 0.000 1 239 . 25 SER HB2 H 3.842 0.000 2 240 . 25 SER HB3 H 3.792 0.000 2 241 . 25 SER C C 173.051 0.000 1 242 . 26 ASP N N 121.896 0.000 1 243 . 26 ASP H H 8.004 0.000 1 244 . 26 ASP CA C 53.280 0.000 1 245 . 26 ASP HA H 4.647 0.000 1 246 . 26 ASP CB C 43.163 0.000 1 247 . 26 ASP HB2 H 2.786 0.000 2 248 . 26 ASP HB3 H 2.437 0.000 2 249 . 26 ASP C C 175.378 0.000 1 250 . 27 GLU N N 123.583 0.000 1 251 . 27 GLU H H 8.671 0.000 1 252 . 27 GLU CA C 57.382 0.000 1 253 . 27 GLU HA H 4.059 0.000 1 254 . 27 GLU CB C 28.397 0.000 1 255 . 27 GLU HB2 H 1.944 0.000 1 256 . 27 GLU HB3 H 1.944 0.000 1 257 . 27 GLU CG C 34.140 0.000 1 258 . 27 GLU HG2 H 2.264 0.000 1 259 . 27 GLU HG3 H 2.264 0.000 1 260 . 27 GLU C C 175.694 0.000 1 261 . 28 ASN N N 115.708 0.000 1 262 . 28 ASN H H 9.088 0.000 1 263 . 28 ASN CA C 52.385 0.000 1 264 . 28 ASN HA H 4.597 0.000 1 265 . 28 ASN CB C 37.725 0.000 1 266 . 28 ASN HB2 H 2.577 0.000 2 267 . 28 ASN HB3 H 2.804 0.000 2 268 . 28 ASN ND2 N 114.662 0.000 1 269 . 28 ASN HD21 H 7.837 0.000 2 270 . 28 ASN HD22 H 6.984 0.000 2 271 . 28 ASN C C 173.742 0.000 1 272 . 29 LEU N N 121.615 0.000 1 273 . 29 LEU H H 7.586 0.000 1 274 . 29 LEU CA C 55.741 0.000 1 275 . 29 LEU HA H 4.169 0.000 1 276 . 29 LEU CB C 42.343 0.000 1 277 . 29 LEU HB2 H 1.781 0.000 2 278 . 29 LEU HB3 H 1.313 0.000 2 279 . 29 LEU CG C 26.210 0.000 1 280 . 29 LEU HG H 1.173 0.000 1 281 . 29 LEU HD1 H 0.606 0.000 2 282 . 29 LEU HD2 H 0.420 0.000 2 283 . 29 LEU CD1 C 25.116 0.000 1 284 . 29 LEU CD2 C 24.296 0.000 1 285 . 29 LEU C C 175.243 0.000 1 286 . 30 LYS N N 125.735 0.000 1 287 . 30 LYS H H 8.489 0.000 1 288 . 30 LYS CA C 54.124 0.000 1 289 . 30 LYS HA H 4.812 0.000 1 290 . 30 LYS CB C 35.596 0.000 1 291 . 30 LYS HB2 H 1.464 0.000 1 292 . 30 LYS HB3 H 1.464 0.000 1 293 . 30 LYS HG2 H 1.286 0.000 1 294 . 30 LYS HG3 H 1.286 0.000 1 295 . 30 LYS HD2 H 1.532 0.000 1 296 . 30 LYS HD3 H 1.532 0.000 1 297 . 30 LYS HE2 H 2.955 0.000 1 298 . 30 LYS HE3 H 2.955 0.000 1 299 . 30 LYS C C 173.541 0.000 1 300 . 31 TRP N N 118.388 0.000 1 301 . 31 TRP H H 8.981 0.000 1 302 . 31 TRP CA C 55.169 0.000 1 303 . 31 TRP HA H 5.683 0.000 1 304 . 31 TRP CB C 33.458 0.000 1 305 . 31 TRP HB2 H 2.962 0.000 2 306 . 31 TRP HB3 H 3.175 0.000 2 307 . 31 TRP NE1 N 128.750 0.000 1 308 . 31 TRP HD1 H 7.075 0.000 1 309 . 31 TRP HE3 H 7.595 0.000 1 310 . 31 TRP HE1 H 10.232 0.000 1 311 . 31 TRP HZ3 H 6.932 0.000 1 312 . 31 TRP HZ2 H 7.573 0.000 1 313 . 31 TRP HH2 H 6.893 0.000 1 314 . 31 TRP C C 176.263 0.000 1 315 . 32 GLU N N 118.521 0.000 1 316 . 32 GLU H H 9.220 0.000 1 317 . 32 GLU CA C 53.302 0.000 1 318 . 32 GLU HA H 5.300 0.000 1 319 . 32 GLU CB C 33.046 0.000 1 320 . 32 GLU HB2 H 1.700 0.000 1 321 . 32 GLU HB3 H 1.700 0.000 1 322 . 32 GLU HG2 H 1.984 0.000 1 323 . 32 GLU HG3 H 1.984 0.000 1 324 . 32 GLU C C 174.014 0.000 1 325 . 33 LYS N N 122.469 0.000 1 326 . 33 LYS H H 8.778 0.000 1 327 . 33 LYS CA C 53.280 0.000 1 328 . 33 LYS HA H 5.287 0.000 1 329 . 33 LYS CB C 35.507 0.000 1 330 . 33 LYS HB2 H 2.243 0.000 2 331 . 33 LYS HB3 H 2.072 0.000 2 332 . 33 LYS CG C 24.022 0.000 1 333 . 33 LYS HG2 H 0.858 0.000 2 334 . 33 LYS HG3 H 0.784 0.000 2 335 . 33 LYS CD C 28.245 0.000 1 336 . 33 LYS HD2 H 1.499 0.000 2 337 . 33 LYS HD3 H 1.318 0.000 2 338 . 33 LYS CE C 42.069 0.000 1 339 . 33 LYS HE2 H 2.867 0.000 2 340 . 33 LYS HE3 H 2.613 0.000 2 341 . 33 LYS C C 176.174 0.000 1 342 . 34 ASN N N 134.552 0.000 1 343 . 34 ASN H H 9.609 0.000 1 344 . 34 ASN CA C 54.599 0.000 1 345 . 34 ASN HA H 4.787 0.000 1 346 . 34 ASN CB C 43.890 0.000 1 347 . 34 ASN HB2 H 3.145 0.000 2 348 . 34 ASN HB3 H 2.558 0.000 2 349 . 34 ASN C C 178.051 0.000 1 350 . 35 GLY N N 111.783 0.000 1 351 . 35 GLY H H 8.530 0.000 1 352 . 35 GLY HA2 H 3.920 0.000 1 353 . 35 GLY HA3 H 3.920 0.000 1 354 . 36 GLN CA C 53.528 0.000 1 355 . 36 GLN HA H 4.675 0.000 1 356 . 36 GLN CB C 28.284 0.000 1 357 . 36 GLN HB2 H 2.213 0.000 2 358 . 36 GLN HB3 H 2.019 0.000 2 359 . 36 GLN HG2 H 2.424 0.000 1 360 . 36 GLN HG3 H 2.424 0.000 1 361 . 36 GLN C C 174.813 0.000 1 362 . 37 GLU N N 127.088 0.000 1 363 . 37 GLU H H 8.869 0.000 1 364 . 37 GLU CA C 56.139 0.000 1 365 . 37 GLU HA H 4.668 0.000 1 366 . 37 GLU CB C 29.085 0.000 1 367 . 37 GLU HB2 H 2.156 0.000 1 368 . 37 GLU HB3 H 2.156 0.000 1 369 . 37 GLU HG2 H 2.426 0.000 1 370 . 37 GLU HG3 H 2.426 0.000 1 371 . 37 GLU C C 176.647 0.000 1 372 . 38 LEU N N 128.141 0.000 1 373 . 38 LEU H H 8.731 0.000 1 374 . 38 LEU CA C 51.093 0.000 1 375 . 38 LEU HA H 4.906 0.000 1 376 . 38 LEU CB C 39.608 0.000 1 377 . 38 LEU HB2 H 1.892 0.000 2 378 . 38 LEU HB3 H 1.408 0.000 2 379 . 38 LEU CG C 25.936 0.000 1 380 . 38 LEU HG H 1.753 0.000 1 381 . 38 LEU HD1 H 0.960 0.000 2 382 . 38 LEU HD2 H 0.922 0.000 2 383 . 38 LEU CD1 C 25.390 0.000 1 384 . 38 LEU CD2 C 22.108 0.000 1 385 . 38 LEU C C 174.941 0.000 1 386 . 39 PRO CD C 50.477 0.000 1 387 . 39 PRO CA C 63.124 0.000 1 388 . 39 PRO HA H 4.396 0.000 1 389 . 39 PRO CB C 31.405 0.000 1 390 . 39 PRO HB2 H 2.360 0.000 1 391 . 39 PRO HB3 H 2.360 0.000 1 392 . 39 PRO CG C 26.757 0.000 1 393 . 39 PRO HG2 H 2.134 0.000 2 394 . 39 PRO HG3 H 2.022 0.000 2 395 . 39 PRO HD2 H 4.302 0.000 2 396 . 39 PRO HD3 H 3.781 0.000 2 397 . 39 PRO C C 177.301 0.000 1 398 . 40 GLN N N 113.177 0.000 1 399 . 40 GLN H H 9.023 0.000 1 400 . 40 GLN CA C 56.561 0.000 1 401 . 40 GLN HA H 3.812 0.000 1 402 . 40 GLN CB C 25.663 0.000 1 403 . 40 GLN HB2 H 2.363 0.000 2 404 . 40 GLN HB3 H 2.266 0.000 2 405 . 40 GLN CG C 33.593 0.000 1 406 . 40 GLN HG2 H 2.372 0.000 1 407 . 40 GLN HG3 H 2.372 0.000 1 408 . 40 GLN NE2 N 112.052 0.000 1 409 . 40 GLN HE21 H 7.608 0.000 2 410 . 40 GLN HE22 H 6.948 0.000 2 411 . 40 GLN C C 174.428 0.000 1 412 . 41 LYS N N 117.115 0.000 1 413 . 41 LYS H H 6.824 0.000 1 414 . 41 LYS CA C 52.865 0.000 1 415 . 41 LYS HA H 4.578 0.000 1 416 . 41 LYS CB C 29.034 0.000 1 417 . 41 LYS HB2 H 1.887 0.000 1 418 . 41 LYS HB3 H 1.887 0.000 1 419 . 41 LYS HG2 H 1.289 0.000 2 420 . 41 LYS HG3 H 1.142 0.000 2 421 . 41 LYS HD2 H 1.542 0.000 2 422 . 41 LYS HD3 H 1.439 0.000 2 423 . 41 LYS HE2 H 2.920 0.000 2 424 . 41 LYS HE3 H 2.871 0.000 2 425 . 41 LYS C C 175.523 0.000 1 426 . 42 HIS N N 121.052 0.000 1 427 . 42 HIS H H 8.751 0.000 1 428 . 42 HIS CA C 53.007 0.000 1 429 . 42 HIS HA H 5.356 0.000 1 430 . 42 HIS CB C 28.944 0.000 1 431 . 42 HIS HB2 H 3.791 0.000 2 432 . 42 HIS HB3 H 3.109 0.000 2 433 . 42 HIS HD2 H 7.309 0.000 1 434 . 42 HIS C C 172.786 0.000 1 435 . 43 ASP N N 120.945 0.000 1 436 . 43 ASP H H 8.662 0.000 1 437 . 43 ASP CA C 52.460 0.000 1 438 . 43 ASP HA H 5.045 0.000 1 439 . 43 ASP CB C 43.710 0.000 1 440 . 43 ASP HB2 H 3.193 0.000 2 441 . 43 ASP HB3 H 2.710 0.000 2 442 . 43 ASP C C 175.078 0.000 1 443 . 44 LYS N N 123.021 0.000 1 444 . 44 LYS H H 8.715 0.000 1 445 . 44 LYS CA C 58.202 0.000 1 446 . 44 LYS HA H 3.885 0.000 1 447 . 44 LYS CB C 32.772 0.000 1 448 . 44 LYS HB2 H 1.937 0.000 2 449 . 44 LYS HB3 H 1.606 0.000 2 450 . 44 LYS HG2 H 1.445 0.000 2 451 . 44 LYS HG3 H 1.130 0.000 2 452 . 44 LYS CD C 28.944 0.000 1 453 . 44 LYS HD2 H 1.649 0.000 1 454 . 44 LYS HD3 H 1.649 0.000 1 455 . 44 LYS HE2 H 2.742 0.000 1 456 . 44 LYS HE3 H 2.742 0.000 1 457 . 44 LYS C C 175.228 0.000 1 458 . 45 HIS N N 115.658 0.000 1 459 . 45 HIS H H 8.821 0.000 1 460 . 45 HIS CA C 53.797 0.000 1 461 . 45 HIS HA H 5.438 0.000 1 462 . 45 HIS CB C 28.124 0.000 1 463 . 45 HIS HB2 H 3.135 0.000 2 464 . 45 HIS HB3 H 2.952 0.000 2 465 . 45 HIS HD2 H 7.309 0.000 1 466 . 45 HIS C C 172.721 0.000 1 467 . 46 LEU N N 127.521 0.000 1 468 . 46 LEU H H 9.037 0.000 1 469 . 46 LEU CA C 52.710 0.000 1 470 . 46 LEU HA H 4.234 0.000 1 471 . 46 LEU CB C 42.876 0.000 1 472 . 46 LEU HB2 H 0.802 0.000 2 473 . 46 LEU HB3 H -0.197 0.000 2 474 . 46 LEU CG C 25.367 0.000 1 475 . 46 LEU HG H 0.704 0.000 1 476 . 46 LEU HD1 H 0.271 0.000 2 477 . 46 LEU HD2 H -0.168 0.000 2 478 . 46 LEU CD1 C 21.806 0.000 1 479 . 46 LEU CD2 C 24.541 0.000 1 480 . 46 LEU C C 173.832 0.000 1 481 . 47 VAL N N 126.959 0.000 1 482 . 47 VAL H H 8.436 0.000 1 483 . 47 VAL CA C 61.483 0.000 1 484 . 47 VAL HA H 4.193 0.000 1 485 . 47 VAL CB C 31.679 0.000 1 486 . 47 VAL HB H 1.891 0.000 1 487 . 47 VAL HG1 H 0.707 0.000 2 488 . 47 VAL HG2 H 0.731 0.000 2 489 . 47 VAL CG1 C 20.194 0.000 1 490 . 47 VAL CG2 C 20.194 0.000 1 491 . 47 VAL C C 174.613 0.000 1 492 . 48 LEU N N 131.573 0.000 1 493 . 48 LEU H H 9.295 0.000 1 494 . 48 LEU CA C 52.460 0.000 1 495 . 48 LEU HA H 4.485 0.000 1 496 . 48 LEU CB C 40.155 0.000 1 497 . 48 LEU HB2 H 2.138 0.000 1 498 . 48 LEU HB3 H 2.138 0.000 1 499 . 48 LEU CG C 26.483 0.000 1 500 . 48 LEU HG H 1.493 0.000 1 501 . 48 LEU HD1 H 0.658 0.000 2 502 . 48 LEU HD2 H 0.740 0.000 2 503 . 48 LEU CD1 C 25.116 0.000 1 504 . 48 LEU CD2 C 22.108 0.000 1 505 . 48 LEU C C 175.168 0.000 1 506 . 49 GLN N N 121.436 0.000 1 507 . 49 GLN H H 8.076 0.000 1 508 . 49 GLN CA C 54.921 0.000 1 509 . 49 GLN HA H 4.269 0.000 1 510 . 49 GLN CB C 28.482 0.000 1 511 . 49 GLN HB2 H 1.891 0.000 1 512 . 49 GLN HB3 H 1.891 0.000 1 513 . 49 GLN CG C 33.319 0.000 1 514 . 49 GLN HG2 H 2.250 0.000 2 515 . 49 GLN HG3 H 2.215 0.000 2 516 . 49 GLN NE2 N 111.489 0.000 1 517 . 49 GLN HE21 H 7.439 0.000 2 518 . 49 GLN HE22 H 6.787 0.000 2 519 . 49 GLN C C 175.874 0.000 1 520 . 50 ASP N N 122.458 0.000 1 521 . 50 ASP H H 8.957 0.000 1 522 . 50 ASP CA C 53.827 0.000 1 523 . 50 ASP HA H 4.213 0.000 1 524 . 50 ASP CB C 37.968 0.000 1 525 . 50 ASP HB2 H 2.775 0.000 2 526 . 50 ASP HB3 H 2.561 0.000 2 527 . 50 ASP C C 175.883 0.000 1 528 . 51 PHE N N 119.089 0.000 1 529 . 51 PHE H H 8.137 0.000 1 530 . 51 PHE CA C 59.296 0.000 1 531 . 51 PHE HA H 3.768 0.000 1 532 . 51 PHE CB C 39.608 0.000 1 533 . 51 PHE HB2 H 2.740 0.000 1 534 . 51 PHE HB3 H 2.740 0.000 1 535 . 51 PHE HD1 H 6.854 0.000 1 536 . 51 PHE HE1 H 7.144 0.000 1 537 . 51 PHE HZ H 6.806 0.000 1 538 . 51 PHE HE2 H 7.144 0.000 1 539 . 51 PHE HD2 H 6.854 0.000 1 540 . 51 PHE C C 175.079 0.000 1 541 . 52 SER N N 124.990 0.000 1 542 . 52 SER H H 9.206 0.000 1 543 . 52 SER CA C 54.100 0.000 1 544 . 52 SER HA H 4.762 0.000 1 545 . 52 SER CB C 62.850 0.000 1 546 . 52 SER HB2 H 3.857 0.000 2 547 . 52 SER HB3 H 3.544 0.000 2 548 . 52 SER C C 174.088 0.000 1 549 . 53 GLU N N 129.854 0.000 1 550 . 53 GLU H H 9.035 0.000 1 551 . 53 GLU CA C 59.022 0.000 1 552 . 53 GLU HA H 4.158 0.000 1 553 . 53 GLU CB C 28.613 0.000 1 554 . 53 GLU HB2 H 2.138 0.000 1 555 . 53 GLU HB3 H 2.138 0.000 1 556 . 53 GLU HG2 H 2.390 0.000 1 557 . 53 GLU HG3 H 2.390 0.000 1 558 . 53 GLU C C 178.682 0.000 1 559 . 54 VAL N N 116.271 0.000 1 560 . 54 VAL H H 8.121 0.000 1 561 . 54 VAL CA C 64.491 0.000 1 562 . 54 VAL HA H 3.814 0.000 1 563 . 54 VAL CB C 31.679 0.000 1 564 . 54 VAL HB H 1.904 0.000 1 565 . 54 VAL HG1 H 0.882 0.000 2 566 . 54 VAL HG2 H 0.996 0.000 2 567 . 54 VAL CG1 C 20.194 0.000 1 568 . 54 VAL CG2 C 21.288 0.000 1 569 . 54 VAL C C 177.255 0.000 1 570 . 55 GLU N N 116.223 0.000 1 571 . 55 GLU H H 7.802 0.000 1 572 . 55 GLU CA C 57.289 0.000 1 573 . 55 GLU HA H 4.236 0.000 1 574 . 55 GLU CB C 28.901 0.000 1 575 . 55 GLU HB2 H 1.730 0.000 2 576 . 55 GLU HB3 H 1.979 0.000 2 577 . 55 GLU HG2 H 2.311 0.000 1 578 . 55 GLU HG3 H 2.311 0.000 1 579 . 55 GLU C C 177.090 0.000 1 580 . 56 ASP N N 113.369 0.000 1 581 . 56 ASP H H 8.586 0.000 1 582 . 56 ASP CA C 54.063 0.000 1 583 . 56 ASP HA H 4.677 0.000 1 584 . 56 ASP CB C 41.046 0.000 1 585 . 56 ASP HB2 H 2.097 0.000 1 586 . 56 ASP HB3 H 2.097 0.000 1 587 . 56 ASP C C 177.091 0.000 1 588 . 57 SER N N 117.396 0.000 1 589 . 57 SER H H 6.714 0.000 1 590 . 57 SER CA C 60.080 0.000 1 591 . 57 SER HA H 4.776 0.000 1 592 . 57 SER CB C 62.937 0.000 1 593 . 57 SER HB2 H 4.163 0.000 2 594 . 57 SER HB3 H 3.949 0.000 2 595 . 57 SER C C 173.246 0.000 1 596 . 58 GLY N N 110.364 0.000 1 597 . 58 GLY H H 8.861 0.000 1 598 . 58 GLY CA C 44.257 0.000 1 599 . 58 GLY HA2 H 3.524 0.000 2 600 . 58 GLY HA3 H 4.432 0.000 2 601 . 58 GLY C C 180.390 0.000 1 602 . 59 TYR N N 117.958 0.000 1 603 . 59 TYR H H 8.751 0.000 1 604 . 59 TYR CA C 56.381 0.000 1 605 . 59 TYR HA H 5.731 0.000 1 606 . 59 TYR CB C 39.104 0.000 1 607 . 59 TYR HB2 H 2.946 0.000 2 608 . 59 TYR HB3 H 2.881 0.000 2 609 . 59 TYR HD1 H 7.330 0.000 1 610 . 59 TYR HE1 H 7.009 0.000 1 611 . 59 TYR HE2 H 7.009 0.000 1 612 . 59 TYR HD2 H 7.330 0.000 1 613 . 59 TYR C C 175.949 0.000 1 614 . 60 TYR N N 123.167 0.000 1 615 . 60 TYR H H 10.328 0.000 1 616 . 60 TYR CA C 56.569 0.000 1 617 . 60 TYR HA H 5.699 0.000 1 618 . 60 TYR CB C 42.890 0.000 1 619 . 60 TYR HB2 H 2.842 0.000 1 620 . 60 TYR HB3 H 2.842 0.000 1 621 . 60 TYR HD1 H 6.944 0.000 1 622 . 60 TYR HE1 H 6.607 0.000 1 623 . 60 TYR HE2 H 6.607 0.000 1 624 . 60 TYR HD2 H 6.944 0.000 1 625 . 60 TYR C C 174.473 0.000 1 626 . 61 VAL N N 116.552 0.000 1 627 . 61 VAL H H 8.839 0.000 1 628 . 61 VAL CA C 59.022 0.000 1 629 . 61 VAL HA H 4.986 0.000 1 630 . 61 VAL CB C 34.140 0.000 1 631 . 61 VAL HB H 1.425 0.000 1 632 . 61 VAL HG1 H 0.743 0.000 2 633 . 61 VAL HG2 H 0.391 0.000 2 634 . 61 VAL CG1 C 19.100 0.000 1 635 . 61 VAL CG2 C 20.468 0.000 1 636 . 61 VAL C C 171.913 0.000 1 637 . 62 CYS N N 121.052 0.000 1 638 . 62 CYS H H 7.337 0.000 1 639 . 62 CYS CA C 51.640 0.000 1 640 . 62 CYS HA H 5.750 0.000 1 641 . 62 CYS CB C 46.100 0.000 1 642 . 62 CYS HB2 H 1.773 0.000 2 643 . 62 CYS HB3 H 1.422 0.000 2 644 . 62 CYS C C 171.655 0.000 1 645 . 63 TYR N N 114.896 0.000 1 646 . 63 TYR H H 8.452 0.000 1 647 . 63 TYR CA C 56.089 0.000 1 648 . 63 TYR HA H 4.682 0.000 1 649 . 63 TYR CB C 38.269 0.000 1 650 . 63 TYR HB2 H 2.947 0.000 1 651 . 63 TYR HB3 H 2.947 0.000 1 652 . 63 TYR HD1 H 6.593 0.000 1 653 . 63 TYR HE1 H 6.455 0.000 1 654 . 63 TYR HE2 H 6.455 0.000 1 655 . 63 TYR HD2 H 6.593 0.000 1 656 . 63 TYR C C 172.609 0.000 1 657 . 64 THR N N 111.208 0.000 1 658 . 64 THR H H 8.290 0.000 1 659 . 64 THR CA C 58.202 0.000 1 660 . 64 THR HA H 4.949 0.000 1 661 . 64 THR CB C 68.319 0.000 1 662 . 64 THR HB H 4.471 0.000 1 663 . 64 THR HG2 H 1.042 0.000 1 664 . 64 THR CG2 C 21.288 0.000 1 665 . 64 THR C C 173.906 0.000 1 666 . 65 PRO CA C 64.230 0.000 1 667 . 65 PRO HA H 4.817 0.000 1 668 . 65 PRO CB C 30.575 0.000 1 669 . 65 PRO HB2 H 2.434 0.000 1 670 . 65 PRO HB3 H 2.434 0.000 1 671 . 65 PRO HG2 H 2.128 0.000 2 672 . 65 PRO HG3 H 1.901 0.000 2 673 . 65 PRO HD2 H 3.732 0.000 1 674 . 65 PRO HD3 H 3.732 0.000 1 675 . 65 PRO C C 176.655 0.000 1 676 . 66 ALA N N 115.990 0.000 1 677 . 66 ALA H H 7.696 0.000 1 678 . 66 ALA CA C 51.640 0.000 1 679 . 66 ALA HA H 4.351 0.000 1 680 . 66 ALA HB H 1.340 0.000 1 681 . 66 ALA CB C 18.261 0.000 1 682 . 66 ALA C C 177.525 0.000 1 683 . 67 SER N N 114.417 0.000 1 684 . 67 SER H H 7.663 0.000 1 685 . 67 SER CA C 57.655 0.000 1 686 . 67 SER HA H 4.420 0.000 1 687 . 67 SER CB C 63.944 0.000 1 688 . 67 SER HB2 H 3.972 0.000 2 689 . 67 SER HB3 H 3.920 0.000 2 690 . 67 SER C C 173.999 0.000 1 691 . 68 ASN N N 120.771 0.000 1 692 . 68 ASN H H 8.487 0.000 1 693 . 68 ASN CA C 53.511 0.000 1 694 . 68 ASN CB C 39.388 0.000 1 695 . 68 ASN HB2 H 2.813 0.000 2 696 . 68 ASN HB3 H 2.662 0.000 2 697 . 68 ASN C C 175.440 0.000 1 698 . 70 ASN CA C 52.733 0.000 1 699 . 70 ASN HA H 4.858 0.000 1 700 . 70 ASN CB C 39.608 0.000 1 701 . 70 ASN HB2 H 2.674 0.000 2 702 . 70 ASN HB3 H 2.503 0.000 2 703 . 70 ASN ND2 N 112.045 0.000 1 704 . 70 ASN HD21 H 7.478 0.000 2 705 . 70 ASN HD22 H 6.706 0.000 2 706 . 70 ASN C C 173.814 0.000 1 707 . 71 THR N N 117.387 0.000 1 708 . 71 THR H H 8.545 0.000 1 709 . 71 THR CA C 62.030 0.000 1 710 . 71 THR HA H 4.878 0.000 1 711 . 71 THR CB C 68.866 0.000 1 712 . 71 THR HB H 4.223 0.000 1 713 . 71 THR HG2 H 1.594 0.000 1 714 . 71 THR CG2 C 21.561 0.000 1 715 . 71 THR C C 174.024 0.000 1 716 . 72 TYR N N 130.064 0.000 1 717 . 72 TYR H H 8.689 0.000 1 718 . 72 TYR CA C 57.054 0.000 1 719 . 72 TYR HA H 4.968 0.000 1 720 . 72 TYR CB C 41.553 0.000 1 721 . 72 TYR HB2 H 3.139 0.000 2 722 . 72 TYR HB3 H 2.851 0.000 2 723 . 72 TYR HD1 H 7.150 0.000 1 724 . 72 TYR HE1 H 6.703 0.000 1 725 . 72 TYR HE2 H 6.703 0.000 1 726 . 72 TYR HD2 H 7.150 0.000 1 727 . 72 TYR C C 172.766 0.000 1 728 . 73 LEU N N 123.865 0.000 1 729 . 73 LEU H H 9.528 0.000 1 730 . 73 LEU CA C 52.178 0.000 1 731 . 73 LEU HA H 5.421 0.000 1 732 . 73 LEU CB C 42.769 0.000 1 733 . 73 LEU HB2 H 1.479 0.000 1 734 . 73 LEU HB3 H 1.479 0.000 1 735 . 73 LEU HG H 1.225 0.000 1 736 . 73 LEU HD1 H 0.686 0.000 2 737 . 73 LEU HD2 H 0.410 0.000 2 738 . 73 LEU CD1 C 22.382 0.000 1 739 . 73 LEU CD2 C 27.030 0.000 1 740 . 73 LEU C C 175.257 0.000 1 741 . 74 TYR N N 127.363 0.000 1 742 . 74 TYR H H 9.749 0.000 1 743 . 74 TYR CA C 57.108 0.000 1 744 . 74 TYR HA H 4.942 0.000 1 745 . 74 TYR CB C 38.888 0.000 1 746 . 74 TYR HB2 H 2.859 0.000 2 747 . 74 TYR HB3 H 2.669 0.000 2 748 . 74 TYR HD1 H 5.967 0.000 1 749 . 74 TYR HE1 H 6.458 0.000 1 750 . 74 TYR HE2 H 6.458 0.000 1 751 . 74 TYR HD2 H 5.967 0.000 1 752 . 74 TYR C C 171.647 0.000 1 753 . 75 LEU N N 130.052 0.000 1 754 . 75 LEU H H 8.561 0.000 1 755 . 75 LEU CA C 51.640 0.000 1 756 . 75 LEU HA H 5.046 0.000 1 757 . 75 LEU CB C 45.350 0.000 1 758 . 75 LEU HB2 H 1.987 0.000 2 759 . 75 LEU HB3 H 0.964 0.000 2 760 . 75 LEU CG C 27.030 0.000 1 761 . 75 LEU HG H 1.316 0.000 1 762 . 75 LEU HD1 H 0.569 0.000 2 763 . 75 LEU HD2 H 0.585 0.000 2 764 . 75 LEU CD1 C 23.749 0.000 1 765 . 75 LEU CD2 C 27.030 0.000 1 766 . 75 LEU C C 173.501 0.000 1 767 . 76 LYS N N 126.450 0.000 1 768 . 76 LYS H H 8.271 0.000 1 769 . 76 LYS CA C 54.848 0.000 1 770 . 76 LYS HA H 4.523 0.000 1 771 . 76 LYS CB C 32.417 0.000 1 772 . 76 LYS HG2 H 1.219 0.000 1 773 . 76 LYS HG3 H 1.219 0.000 1 774 . 76 LYS HE2 H 2.981 0.000 1 775 . 76 LYS HE3 H 2.981 0.000 1 776 . 76 LYS C C 172.886 0.000 1 777 . 77 ALA N N 124.373 0.000 1 778 . 77 ALA H H 7.166 0.000 1 779 . 77 ALA CA C 49.179 0.000 1 780 . 77 ALA HA H 4.838 0.000 1 781 . 77 ALA HB H 0.869 0.000 1 782 . 77 ALA CB C 19.990 0.000 1 783 . 77 ALA C C 173.366 0.000 1 784 . 78 ARG N N 118.030 0.000 1 785 . 78 ARG H H 7.959 0.000 1 786 . 78 ARG CA C 54.470 0.000 1 787 . 78 ARG HA H 4.618 0.000 1 788 . 78 ARG CB C 30.571 0.000 1 789 . 78 ARG HB2 H 1.829 0.000 1 790 . 78 ARG HB3 H 1.829 0.000 1 791 . 78 ARG HG2 H 1.734 0.000 2 792 . 78 ARG HG3 H 1.549 0.000 2 793 . 78 ARG HD2 H 3.196 0.000 1 794 . 78 ARG HD3 H 3.196 0.000 1 795 . 78 ARG C C 175.573 0.000 1 796 . 79 VAL N N 119.927 0.000 1 797 . 79 VAL H H 8.612 0.000 1 798 . 79 VAL CA C 60.116 0.000 1 799 . 79 VAL HA H 4.309 0.000 1 800 . 79 VAL CB C 33.046 0.000 1 801 . 79 VAL HB H 2.235 0.000 1 802 . 79 VAL HG1 H 0.654 0.000 2 803 . 79 VAL HG2 H 0.789 0.000 2 804 . 79 VAL CG1 C 21.015 0.000 1 805 . 79 VAL CG2 C 19.374 0.000 1 806 . 79 VAL C C 175.408 0.000 1 807 . 80 GLY N N 110.364 0.000 1 808 . 80 GLY H H 8.334 0.000 1 809 . 80 GLY CA C 44.257 0.000 1 810 . 80 GLY HA2 H 4.107 0.000 2 811 . 80 GLY HA3 H 3.938 0.000 2 812 . 80 GLY C C 173.585 0.000 1 813 . 81 SER N N 115.623 0.000 1 814 . 81 SER H H 8.465 0.000 1 815 . 81 SER CA C 57.108 0.000 1 816 . 81 SER HA H 4.494 0.000 1 817 . 81 SER CB C 63.397 0.000 1 818 . 81 SER HB2 H 3.928 0.000 2 819 . 81 SER HB3 H 3.846 0.000 2 820 . 81 SER C C 174.591 0.000 1 821 . 82 ALA N N 126.169 0.000 1 822 . 82 ALA H H 8.638 0.000 1 823 . 82 ALA CA C 52.422 0.000 1 824 . 82 ALA HA H 4.305 0.000 1 825 . 82 ALA HB H 1.412 0.000 1 826 . 82 ALA CB C 17.684 0.000 1 827 . 82 ALA C C 177.736 0.000 1 828 . 83 ASP N N 118.521 0.000 1 829 . 83 ASP H H 8.326 0.000 1 830 . 83 ASP CA C 54.017 0.000 1 831 . 83 ASP HA H 4.580 0.000 1 832 . 83 ASP CB C 39.718 0.000 1 833 . 83 ASP C C 176.102 0.000 1 834 . 84 ASP N N 120.615 0.000 1 835 . 84 ASP H H 8.137 0.000 1 836 . 103 ASP N N 121.341 0.000 1 837 . 103 ASP H H 8.429 0.000 1 838 . 103 ASP CA C 53.557 0.000 1 839 . 103 ASP HA H 4.634 0.000 1 840 . 103 ASP CB C 40.047 0.000 1 841 . 103 ASP HB2 H 2.724 0.000 1 842 . 103 ASP HB3 H 2.724 0.000 1 843 . 103 ASP C C 176.504 0.000 1 844 . 104 GLY N N 109.641 0.000 1 845 . 104 GLY H H 8.439 0.000 1 846 . 104 GLY CA C 44.530 0.000 1 847 . 104 GLY HA2 H 3.981 0.000 1 848 . 104 GLY HA3 H 3.981 0.000 1 849 . 104 GLY C C 174.342 0.000 1 850 . 105 SER N N 115.685 0.000 1 851 . 105 SER H H 8.323 0.000 1 852 . 105 SER CA C 58.202 0.000 1 853 . 105 SER HA H 4.402 0.000 1 854 . 105 SER CB C 63.124 0.000 1 855 . 105 SER HB2 H 3.918 0.000 2 856 . 105 SER HB3 H 3.878 0.000 2 857 . 105 SER C C 174.658 0.000 1 858 . 106 GLN N N 121.679 0.000 1 859 . 106 GLN H H 8.497 0.000 1 860 . 106 GLN CA C 55.194 0.000 1 861 . 106 GLN HA H 4.411 0.000 1 862 . 106 GLN CB C 28.397 0.000 1 863 . 106 GLN HB2 H 2.160 0.000 2 864 . 106 GLN HB3 H 1.993 0.000 2 865 . 106 GLN CG C 33.046 0.000 1 866 . 106 GLN HG2 H 2.362 0.000 1 867 . 106 GLN HG3 H 2.362 0.000 1 868 . 106 GLN NE2 N 112.333 0.000 1 869 . 106 GLN HE21 H 7.535 0.000 2 870 . 106 GLN HE22 H 6.882 0.000 2 871 . 106 GLN C C 176.084 0.000 1 872 . 107 THR N N 114.382 0.000 1 873 . 107 THR H H 8.124 0.000 1 874 . 107 THR CA C 61.483 0.000 1 875 . 107 THR HA H 4.281 0.000 1 876 . 107 THR CB C 68.866 0.000 1 877 . 107 THR HB H 4.193 0.000 1 878 . 107 THR HG2 H 1.171 0.000 1 879 . 107 THR CG2 C 20.468 0.000 1 880 . 107 THR C C 174.087 0.000 1 881 . 108 ASN N N 120.921 0.000 1 882 . 108 ASN H H 8.429 0.000 1 883 . 108 ASN CA C 52.563 0.000 1 884 . 108 ASN HA H 4.655 0.000 1 885 . 108 ASN CB C 37.659 0.000 1 886 . 108 ASN HB2 H 2.753 0.000 1 887 . 108 ASN HB3 H 2.753 0.000 1 888 . 108 ASN C C 174.897 0.000 1 889 . 113 LEU CA C 54.647 0.000 1 890 . 113 LEU HA H 4.351 0.000 1 891 . 113 LEU CB C 41.522 0.000 1 892 . 113 LEU HB2 H 1.589 0.000 1 893 . 113 LEU HB3 H 1.589 0.000 1 894 . 113 LEU CG C 26.210 0.000 1 895 . 113 LEU HG H 1.575 0.000 1 896 . 113 LEU HD1 H 0.892 0.000 2 897 . 113 LEU HD2 H 0.831 0.000 2 898 . 113 LEU CD1 C 24.022 0.000 1 899 . 113 LEU CD2 C 22.655 0.000 1 900 . 113 LEU C C 176.861 0.000 1 901 . 114 VAL N N 120.541 0.000 1 902 . 114 VAL H H 8.070 0.000 1 903 . 114 VAL CA C 61.483 0.000 1 904 . 114 VAL HA H 4.091 0.000 1 905 . 114 VAL CB C 32.225 0.000 1 906 . 114 VAL HB H 2.030 0.000 1 907 . 114 VAL HG1 H 0.902 0.000 1 908 . 114 VAL HG2 H 0.902 0.000 1 909 . 114 VAL CG1 C 19.921 0.000 1 910 . 114 VAL CG2 C 19.921 0.000 1 911 . 114 VAL C C 175.500 0.000 1 912 . 115 GLN N N 123.382 0.000 1 913 . 115 GLN H H 8.433 0.000 1 914 . 115 GLN CA C 53.347 0.000 1 915 . 115 GLN HA H 4.846 0.000 1 916 . 115 GLN CB C 30.506 0.000 1 917 . 115 GLN HB2 H 1.839 0.000 1 918 . 115 GLN HB3 H 1.839 0.000 1 919 . 115 GLN HG2 H 2.136 0.000 1 920 . 115 GLN HG3 H 2.136 0.000 1 921 . 115 GLN C C 174.778 0.000 1 922 . 116 VAL N N 120.475 0.000 1 923 . 116 VAL H H 8.017 0.000 1 924 . 116 VAL CA C 60.663 0.000 1 925 . 116 VAL HA H 4.289 0.000 1 926 . 116 VAL CB C 32.499 0.000 1 927 . 116 VAL HB H 0.952 0.000 1 928 . 116 VAL HG1 H 0.345 0.000 2 929 . 116 VAL HG2 H 0.314 0.000 2 930 . 116 VAL CG1 C 20.468 0.000 1 931 . 116 VAL CG2 C 20.741 0.000 1 932 . 116 VAL C C 175.304 0.000 1 933 . 117 ASP N N 126.950 0.000 1 934 . 117 ASP H H 9.177 0.000 1 935 . 117 ASP CA C 52.356 0.000 1 936 . 117 ASP HA H 4.839 0.000 1 937 . 117 ASP CB C 40.953 0.000 1 938 . 117 ASP HB2 H 2.836 0.000 2 939 . 117 ASP HB3 H 2.482 0.000 2 940 . 117 ASP C C 175.979 0.000 1 941 . 118 GLY N N 114.865 0.000 1 942 . 118 GLY H H 8.788 0.000 1 943 . 118 GLY CA C 44.530 0.000 1 944 . 118 GLY HA2 H 4.712 0.000 2 945 . 118 GLY HA3 H 3.705 0.000 2 946 . 118 GLY C C 175.453 0.000 1 947 . 119 SER N N 117.014 0.000 1 948 . 119 SER H H 8.546 0.000 1 949 . 119 SER CA C 58.475 0.000 1 950 . 119 SER HA H 4.443 0.000 1 951 . 119 SER CB C 63.397 0.000 1 952 . 119 SER HB2 H 3.931 0.000 1 953 . 119 SER HB3 H 3.931 0.000 1 954 . 119 SER C C 175.093 0.000 1 955 . 120 ARG N N 122.773 0.000 1 956 . 120 ARG H H 8.500 0.000 1 957 . 120 ARG CA C 56.288 0.000 1 958 . 120 ARG HA H 4.178 0.000 1 959 . 120 ARG CB C 29.765 0.000 1 960 . 120 ARG HB2 H 1.879 0.000 2 961 . 120 ARG HB3 H 1.754 0.000 2 962 . 120 ARG CG C 26.483 0.000 1 963 . 120 ARG HG2 H 1.582 0.000 1 964 . 120 ARG HG3 H 1.582 0.000 1 965 . 120 ARG CD C 42.343 0.000 1 966 . 120 ARG HD2 H 3.084 0.000 1 967 . 120 ARG HD3 H 3.084 0.000 1 968 . 120 ARG HE H 7.264 0.000 1 969 . 120 ARG NE N 83.527 0.000 1 970 . 120 ARG C C 178.531 0.000 1 971 . 121 GLY N N 108.867 0.000 1 972 . 121 GLY H H 8.607 0.000 1 973 . 121 GLY CA C 45.350 0.000 1 974 . 121 GLY HA2 H 3.932 0.000 1 975 . 121 GLY HA3 H 3.932 0.000 1 976 . 121 GLY C C 173.892 0.000 1 977 . 122 ASP N N 117.396 0.000 1 978 . 122 ASP H H 7.879 0.000 1 979 . 122 ASP CA C 52.460 0.000 1 980 . 122 ASP HA H 4.558 0.000 1 981 . 122 ASP CB C 39.608 0.000 1 982 . 122 ASP HB2 H 2.976 0.000 2 983 . 122 ASP HB3 H 2.547 0.000 2 984 . 122 ASP C C 176.880 0.000 1 985 . 123 GLY N N 108.114 0.000 1 986 . 123 GLY H H 8.106 0.000 1 987 . 123 GLY CA C 44.804 0.000 1 988 . 123 GLY HA2 H 3.720 0.000 2 989 . 123 GLY HA3 H 4.161 0.000 2 990 . 123 GLY C C 173.847 0.000 1 991 . 124 SER N N 116.391 0.000 1 992 . 124 SER H H 7.954 0.000 1 993 . 124 SER CA C 57.929 0.000 1 994 . 124 SER HA H 4.304 0.000 1 995 . 124 SER CB C 63.397 0.000 1 996 . 124 SER HB2 H 3.661 0.000 1 997 . 124 SER HB3 H 3.661 0.000 1 998 . 124 SER C C 173.382 0.000 1 999 . 125 VAL N N 122.829 0.000 1 1000 . 125 VAL H H 7.889 0.000 1 1001 . 125 VAL CA C 61.483 0.000 1 1002 . 125 VAL HA H 4.021 0.000 1 1003 . 125 VAL CB C 32.225 0.000 1 1004 . 125 VAL HB H 1.616 0.000 1 1005 . 125 VAL HG1 H 0.535 0.000 2 1006 . 125 VAL HG2 H 0.491 0.000 2 1007 . 125 VAL CG1 C 20.468 0.000 1 1008 . 125 VAL CG2 C 19.647 0.000 1 1009 . 125 VAL C C 172.615 0.000 1 1010 . 126 LEU N N 126.481 0.000 1 1011 . 126 LEU H H 7.930 0.000 1 1012 . 126 LEU CA C 52.186 0.000 1 1013 . 126 LEU HA H 4.862 0.000 1 1014 . 126 LEU CB C 44.530 0.000 1 1015 . 126 LEU HB2 H 1.523 0.000 2 1016 . 126 LEU HB3 H 1.400 0.000 2 1017 . 126 LEU CG C 26.483 0.000 1 1018 . 126 LEU HG H 1.402 0.000 1 1019 . 126 LEU HD1 H 0.683 0.000 1 1020 . 126 LEU HD2 H 0.683 0.000 1 1021 . 126 LEU CD1 C 23.749 0.000 1 1022 . 126 LEU CD2 C 23.749 0.000 1 1023 . 126 LEU C C 175.439 0.000 1 1024 . 127 LEU N N 122.458 0.000 1 1025 . 127 LEU H H 8.898 0.000 1 1026 . 127 LEU CA C 52.186 0.000 1 1027 . 127 LEU HA H 5.215 0.000 1 1028 . 127 LEU CB C 42.230 0.000 1 1029 . 127 LEU HB2 H 1.136 0.000 1 1030 . 127 LEU HB3 H 1.136 0.000 1 1031 . 127 LEU CG C 25.936 0.000 1 1032 . 127 LEU HG H 1.203 0.000 1 1033 . 127 LEU HD1 H 0.157 0.000 2 1034 . 127 LEU HD2 H 0.471 0.000 2 1035 . 127 LEU CD1 C 25.090 0.000 1 1036 . 127 LEU CD2 C 22.929 0.000 1 1037 . 127 LEU C C 176.459 0.000 1 1038 . 128 THR N N 114.225 0.000 1 1039 . 128 THR H H 9.153 0.000 1 1040 . 128 THR CA C 60.116 0.000 1 1041 . 128 THR HA H 5.068 0.000 1 1042 . 128 THR CB C 69.960 0.000 1 1043 . 128 THR HB H 3.980 0.000 1 1044 . 128 THR HG2 H 1.097 0.000 1 1045 . 128 THR CG2 C 20.194 0.000 1 1046 . 128 THR C C 173.246 0.000 1 1047 . 129 CYS N N 124.427 0.000 1 1048 . 129 CYS H H 9.345 0.000 1 1049 . 129 CYS CA C 53.827 0.000 1 1050 . 129 CYS HA H 5.022 0.000 1 1051 . 129 CYS CB C 41.091 0.000 1 1052 . 129 CYS HB2 H 3.118 0.000 2 1053 . 129 CYS HB3 H 2.943 0.000 2 1054 . 129 CYS C C 174.703 0.000 1 1055 . 130 GLY N N 116.460 0.000 1 1056 . 130 GLY H H 9.495 0.000 1 1057 . 130 GLY CA C 45.027 0.000 1 1058 . 130 GLY HA2 H 4.200 0.000 2 1059 . 130 GLY HA3 H 3.666 0.000 2 1060 . 130 GLY C C 174.417 0.000 1 1061 . 131 LEU N N 119.171 0.000 1 1062 . 131 LEU H H 7.036 0.000 1 1063 . 131 LEU CA C 54.100 0.000 1 1064 . 131 LEU HA H 4.425 0.000 1 1065 . 131 LEU CB C 40.584 0.000 1 1066 . 131 LEU HB2 H 1.518 0.000 2 1067 . 131 LEU HB3 H 1.493 0.000 2 1068 . 131 LEU CG C 26.210 0.000 1 1069 . 131 LEU HG H 1.590 0.000 1 1070 . 131 LEU HD1 H 0.776 0.000 2 1071 . 131 LEU HD2 H 0.646 0.000 2 1072 . 131 LEU CD1 C 25.116 0.000 1 1073 . 131 LEU CD2 C 21.835 0.000 1 1074 . 131 LEU C C 177.045 0.000 1 1075 . 132 THR N N 110.845 0.000 1 1076 . 132 THR H H 8.553 0.000 1 1077 . 132 THR CA C 61.483 0.000 1 1078 . 132 THR HA H 4.213 0.000 1 1079 . 132 THR CB C 68.319 0.000 1 1080 . 132 THR HB H 4.375 0.000 1 1081 . 132 THR HG2 H 1.184 0.000 1 1082 . 132 THR C C 174.538 0.000 1 1083 . 133 ASP N N 121.003 0.000 1 1084 . 133 ASP H H 7.804 0.000 1 1085 . 133 ASP CA C 53.554 0.000 1 1086 . 133 ASP HA H 4.342 0.000 1 1087 . 133 ASP CB C 41.522 0.000 1 1088 . 133 ASP HB2 H 2.706 0.000 2 1089 . 133 ASP HB3 H 2.310 0.000 2 1090 . 133 ASP C C 174.522 0.000 1 1091 . 134 LYS N N 119.927 0.000 1 1092 . 134 LYS H H 8.553 0.000 1 1093 . 134 LYS CA C 57.108 0.000 1 1094 . 134 LYS HA H 4.125 0.000 1 1095 . 134 LYS CB C 31.679 0.000 1 1096 . 134 LYS HB2 H 1.906 0.000 2 1097 . 134 LYS HB3 H 1.845 0.000 2 1098 . 134 LYS CG C 24.022 0.000 1 1099 . 134 LYS HG2 H 1.575 0.000 2 1100 . 134 LYS HG3 H 1.502 0.000 2 1101 . 134 LYS HD2 H 1.698 0.000 1 1102 . 134 LYS HD3 H 1.698 0.000 1 1103 . 134 LYS HE2 H 3.009 0.000 1 1104 . 134 LYS HE3 H 3.009 0.000 1 1105 . 134 LYS C C 176.910 0.000 1 1106 . 135 THR N N 112.982 0.000 1 1107 . 135 THR H H 7.715 0.000 1 1108 . 135 THR CA C 60.116 0.000 1 1109 . 135 THR HA H 4.536 0.000 1 1110 . 135 THR CB C 69.140 0.000 1 1111 . 135 THR HB H 4.017 0.000 1 1112 . 135 THR HG2 H 1.136 0.000 1 1113 . 135 THR CG2 C 20.468 0.000 1 1114 . 135 THR C C 172.661 0.000 1 1115 . 136 ILE N N 123.865 0.000 1 1116 . 136 ILE H H 8.004 0.000 1 1117 . 136 ILE CA C 56.561 0.000 1 1118 . 136 ILE HA H 4.636 0.000 1 1119 . 136 ILE CB C 39.847 0.000 1 1120 . 136 ILE HB H 1.628 0.000 1 1121 . 136 ILE HG2 H 0.394 0.000 1 1122 . 136 ILE CG2 C 18.793 0.000 1 1123 . 136 ILE CG1 C 25.902 0.000 1 1124 . 136 ILE HG12 H 1.123 0.000 1 1125 . 136 ILE HG13 H 1.123 0.000 1 1126 . 136 ILE HD1 H 0.519 0.000 1 1127 . 136 ILE CD1 C 11.136 0.000 1 1128 . 136 ILE C C 174.940 0.000 1 1129 . 137 LYS N N 122.781 0.000 1 1130 . 137 LYS H H 8.603 0.000 1 1131 . 137 LYS CA C 53.273 0.000 1 1132 . 137 LYS CB C 34.446 0.000 1 1133 . 137 LYS C C 174.344 0.000 1 1134 . 138 TRP CA C 56.015 0.000 1 1135 . 138 TRP HA H 4.871 0.000 1 1136 . 138 TRP CB C 30.657 0.000 1 1137 . 138 TRP HB2 H 2.587 0.000 2 1138 . 138 TRP HB3 H 2.108 0.000 2 1139 . 138 TRP HD1 H 7.483 0.000 1 1140 . 138 TRP HE3 H 7.277 0.000 1 1141 . 138 TRP HZ3 H 7.277 0.000 1 1142 . 138 TRP HZ2 H 7.482 0.000 1 1143 . 138 TRP HH2 H 6.761 0.000 1 1144 . 138 TRP C C 174.342 0.000 1 1145 . 139 LEU N N 121.684 0.000 1 1146 . 139 LEU H H 9.208 0.000 1 1147 . 139 LEU CA C 53.827 0.000 1 1148 . 139 LEU HA H 5.188 0.000 1 1149 . 139 LEU CB C 44.804 0.000 1 1150 . 139 LEU HB2 H 1.192 0.000 1 1151 . 139 LEU HB3 H 1.192 0.000 1 1152 . 139 LEU CG C 28.397 0.000 1 1153 . 139 LEU HG H 1.244 0.000 1 1154 . 139 LEU HD1 H 0.488 0.000 2 1155 . 139 LEU HD2 H 0.508 0.000 2 1156 . 139 LEU CD1 C 24.296 0.000 1 1157 . 139 LEU CD2 C 25.390 0.000 1 1158 . 139 LEU C C 175.123 0.000 1 1159 . 140 LYS N N 119.646 0.000 1 1160 . 140 LYS H H 8.685 0.000 1 1161 . 140 LYS CA C 53.716 0.000 1 1162 . 140 LYS HA H 4.824 0.000 1 1163 . 140 LYS CB C 34.652 0.000 1 1164 . 140 LYS HD2 H 1.592 0.000 1 1165 . 140 LYS HD3 H 1.592 0.000 1 1166 . 140 LYS HE2 H 3.031 0.000 1 1167 . 140 LYS HE3 H 3.031 0.000 1 1168 . 140 LYS C C 176.339 0.000 1 1169 . 141 ASP N N 128.994 0.000 1 1170 . 141 ASP H H 9.544 0.000 1 1171 . 141 ASP CA C 54.374 0.000 1 1172 . 141 ASP HA H 4.262 0.000 1 1173 . 141 ASP CB C 37.988 0.000 1 1174 . 141 ASP HB2 H 2.934 0.000 2 1175 . 141 ASP HB3 H 2.765 0.000 2 1176 . 141 ASP C C 176.054 0.000 1 1177 . 142 GLY N N 103.052 0.000 1 1178 . 142 GLY H H 9.008 0.000 1 1179 . 142 GLY CA C 44.530 0.000 1 1180 . 142 GLY HA2 H 4.210 0.000 2 1181 . 142 GLY HA3 H 3.512 0.000 2 1182 . 142 GLY C C 173.682 0.000 1 1183 . 143 SER N N 116.268 0.000 1 1184 . 143 SER H H 7.822 0.000 1 1185 . 143 SER CA C 56.288 0.000 1 1186 . 143 SER HA H 4.841 0.000 1 1187 . 143 SER CB C 64.574 0.000 1 1188 . 143 SER HB2 H 3.809 0.000 2 1189 . 143 SER HB3 H 3.685 0.000 2 1190 . 143 SER C C 172.886 0.000 1 1191 . 144 ILE N N 125.323 0.000 1 1192 . 144 ILE H H 8.760 0.000 1 1193 . 144 ILE CA C 62.030 0.000 1 1194 . 144 ILE HA H 4.243 0.000 1 1195 . 144 ILE CB C 37.147 0.000 1 1196 . 144 ILE HB H 1.772 0.000 1 1197 . 144 ILE HG2 H 1.011 0.000 1 1198 . 144 ILE CG2 C 16.879 0.000 1 1199 . 144 ILE HG12 H 1.678 0.000 1 1200 . 144 ILE HG13 H 1.678 0.000 1 1201 . 144 ILE HD1 H 0.854 0.000 1 1202 . 144 ILE CD1 C 12.504 0.000 1 1203 . 144 ILE C C 176.940 0.000 1 1204 . 145 ILE N N 122.583 0.000 1 1205 . 145 ILE H H 8.898 0.000 1 1206 . 145 ILE CA C 59.569 0.000 1 1207 . 145 ILE HA H 4.629 0.000 1 1208 . 145 ILE CB C 39.574 0.000 1 1209 . 145 ILE HB H 1.918 0.000 1 1210 . 145 ILE HG2 H 0.814 0.000 1 1211 . 145 ILE CG2 C 17.446 0.000 1 1212 . 145 ILE HG12 H 0.745 0.000 1 1213 . 145 ILE HG13 H 0.745 0.000 1 1214 . 145 ILE HD1 H 0.553 0.000 1 1215 . 145 ILE CD1 C 13.324 0.000 1 1216 . 145 ILE C C 174.808 0.000 1 1217 . 146 SER N N 117.396 0.000 1 1218 . 146 SER H H 7.615 0.000 1 1219 . 146 SER CA C 55.002 0.000 1 1220 . 146 SER HA H 4.911 0.000 1 1221 . 146 SER CB C 62.451 0.000 1 1222 . 146 SER HB2 H 4.231 0.000 1 1223 . 146 SER HB3 H 4.231 0.000 1 1224 . 146 SER C C 172.329 0.000 1 1225 . 147 PRO CA C 62.030 0.000 1 1226 . 147 PRO HA H 4.553 0.000 1 1227 . 147 PRO CB C 30.987 0.000 1 1228 . 147 PRO HB2 H 2.301 0.000 2 1229 . 147 PRO HB3 H 1.987 0.000 2 1230 . 147 PRO HG2 H 1.969 0.000 1 1231 . 147 PRO HG3 H 1.969 0.000 1 1232 . 147 PRO HD2 H 4.092 0.000 2 1233 . 147 PRO HD3 H 3.861 0.000 2 1234 . 147 PRO C C 177.270 0.000 1 1235 . 148 LEU N N 122.458 0.000 1 1236 . 148 LEU H H 8.612 0.000 1 1237 . 148 LEU CA C 56.288 0.000 1 1238 . 148 LEU HA H 4.151 0.000 1 1239 . 148 LEU CB C 41.249 0.000 1 1240 . 148 LEU HB2 H 1.678 0.000 2 1241 . 148 LEU HB3 H 1.563 0.000 2 1242 . 148 LEU CG C 26.210 0.000 1 1243 . 148 LEU HG H 1.688 0.000 1 1244 . 148 LEU HD1 H 0.942 0.000 2 1245 . 148 LEU HD2 H 0.905 0.000 2 1246 . 148 LEU CD1 C 23.749 0.000 1 1247 . 148 LEU CD2 C 22.929 0.000 1 1248 . 148 LEU C C 177.600 0.000 1 1249 . 149 ASN N N 115.249 0.000 1 1250 . 149 ASN H H 8.485 0.000 1 1251 . 149 ASN CA C 52.460 0.000 1 1252 . 149 ASN HA H 4.635 0.000 1 1253 . 149 ASN CB C 36.876 0.000 1 1254 . 149 ASN HB2 H 2.987 0.000 1 1255 . 149 ASN HB3 H 2.987 0.000 1 1256 . 149 ASN C C 174.177 0.000 1 1257 . 150 ALA N N 122.901 0.000 1 1258 . 150 ALA H H 7.813 0.000 1 1259 . 150 ALA CA C 51.913 0.000 1 1260 . 150 ALA HA H 4.648 0.000 1 1261 . 150 ALA HB H 1.633 0.000 1 1262 . 150 ALA CB C 19.100 0.000 1 1263 . 150 ALA C C 177.603 0.000 1 1264 . 151 THR N N 112.137 0.000 1 1265 . 151 THR H H 8.562 0.000 1 1266 . 151 THR CA C 60.663 0.000 1 1267 . 151 THR HA H 4.750 0.000 1 1268 . 151 THR CB C 69.413 0.000 1 1269 . 151 THR HB H 4.485 0.000 1 1270 . 151 THR HG2 H 1.244 0.000 1 1271 . 151 THR C C 174.488 0.000 1 1272 . 152 LYS H H 8.069 0.000 1 1273 . 152 LYS CA C 55.581 0.000 1 1274 . 152 LYS HA H 4.628 0.000 1 1275 . 152 LYS CB C 32.560 0.000 1 1276 . 152 LYS HB2 H 2.136 0.000 1 1277 . 152 LYS HB3 H 2.136 0.000 1 1278 . 152 LYS HG2 H 1.751 0.000 2 1279 . 152 LYS HG3 H 1.648 0.000 2 1280 . 152 LYS HE2 H 3.035 0.000 1 1281 . 152 LYS HE3 H 3.035 0.000 1 1282 . 152 LYS C C 176.514 0.000 1 1283 . 153 ASN N N 119.365 0.000 1 1284 . 153 ASN H H 8.817 0.000 1 1285 . 153 ASN CA C 52.733 0.000 1 1286 . 153 ASN HA H 4.854 0.000 1 1287 . 153 ASN CB C 37.147 0.000 1 1288 . 153 ASN HB2 H 3.284 0.000 2 1289 . 153 ASN HB3 H 3.009 0.000 2 1290 . 153 ASN ND2 N 111.208 0.000 1 1291 . 153 ASN HD21 H 7.703 0.000 2 1292 . 153 ASN HD22 H 6.934 0.000 2 1293 . 153 ASN C C 174.709 0.000 1 1294 . 154 THR N N 110.083 0.000 1 1295 . 154 THR H H 7.652 0.000 1 1296 . 154 THR CA C 59.022 0.000 1 1297 . 154 THR HA H 5.632 0.000 1 1298 . 154 THR CB C 72.147 0.000 1 1299 . 154 THR HB H 4.085 0.000 1 1300 . 154 THR HG2 H 1.271 0.000 1 1301 . 154 THR CG2 C 21.015 0.000 1 1302 . 154 THR C C 172.919 0.000 1 1303 . 155 TRP N N 121.479 0.000 1 1304 . 155 TRP H H 8.497 0.000 1 1305 . 155 TRP CA C 55.146 0.000 1 1306 . 155 TRP HA H 4.367 0.000 1 1307 . 155 TRP CB C 29.289 0.000 1 1308 . 155 TRP HB2 H 0.875 0.000 2 1309 . 155 TRP HB3 H 1.392 0.000 2 1310 . 155 TRP NE1 N 127.605 0.000 1 1311 . 155 TRP HD1 H 6.149 0.000 1 1312 . 155 TRP HE3 H 7.268 0.000 1 1313 . 155 TRP HE1 H 9.875 0.000 1 1314 . 155 TRP HZ3 H 7.058 0.000 1 1315 . 155 TRP HZ2 H 7.399 0.000 1 1316 . 155 TRP HH2 H 7.213 0.000 1 1317 . 155 TRP C C 173.292 0.000 1 1318 . 156 ASN N N 125.674 0.000 1 1319 . 156 ASN H H 7.390 0.000 1 1320 . 156 ASN CA C 51.640 0.000 1 1321 . 156 ASN HA H 4.578 0.000 1 1322 . 156 ASN CB C 37.624 0.000 1 1323 . 156 ASN HB2 H 2.499 0.000 2 1324 . 156 ASN HB3 H 2.181 0.000 2 1325 . 156 ASN ND2 N 109.943 0.000 1 1326 . 156 ASN HD21 H 7.200 0.000 2 1327 . 156 ASN HD22 H 6.532 0.000 2 1328 . 156 ASN C C 174.162 0.000 1 1329 . 157 LEU N N 124.863 0.000 1 1330 . 157 LEU H H 8.730 0.000 1 1331 . 157 LEU CA C 54.100 0.000 1 1332 . 157 LEU HA H 3.996 0.000 1 1333 . 157 LEU CB C 41.249 0.000 1 1334 . 157 LEU HB2 H 1.483 0.000 2 1335 . 157 LEU HB3 H 1.309 0.000 2 1336 . 157 LEU CG C 25.936 0.000 1 1337 . 157 LEU HG H 1.231 0.000 1 1338 . 157 LEU HD1 H 0.429 0.000 2 1339 . 157 LEU HD2 H 0.311 0.000 2 1340 . 157 LEU CD1 C 24.296 0.000 1 1341 . 157 LEU CD2 C 21.835 0.000 1 1342 . 157 LEU C C 177.456 0.000 1 1343 . 158 GLY N N 108.396 0.000 1 1344 . 158 GLY H H 8.509 0.000 1 1345 . 158 GLY CA C 43.436 0.000 1 1346 . 158 GLY HA2 H 3.589 0.000 2 1347 . 158 GLY HA3 H 3.997 0.000 2 1348 . 158 GLY C C 173.036 0.000 1 1349 . 159 ASN N N 117.958 0.000 1 1350 . 159 ASN H H 8.370 0.000 1 1351 . 159 ASN CA C 53.494 0.000 1 1352 . 159 ASN HA H 4.390 0.000 1 1353 . 159 ASN CB C 38.789 0.000 1 1354 . 159 ASN HB2 H 2.484 0.000 2 1355 . 159 ASN HB3 H 2.720 0.000 2 1356 . 159 ASN C C 176.795 0.000 1 1357 . 160 ASN N N 122.492 0.000 1 1358 . 160 ASN H H 8.695 0.000 1 1359 . 160 ASN CA C 54.921 0.000 1 1360 . 160 ASN HA H 3.929 0.000 1 1361 . 160 ASN CB C 37.694 0.000 1 1362 . 160 ASN HB2 H 2.804 0.000 2 1363 . 160 ASN HB3 H 2.677 0.000 2 1364 . 160 ASN ND2 N 112.609 0.000 1 1365 . 160 ASN HD21 H 7.631 0.000 2 1366 . 160 ASN HD22 H 7.051 0.000 2 1367 . 160 ASN C C 174.778 0.000 1 1368 . 161 ALA N N 120.716 0.000 1 1369 . 161 ALA H H 8.058 0.000 1 1370 . 161 ALA CA C 52.733 0.000 1 1371 . 161 ALA HA H 4.090 0.000 1 1372 . 161 ALA HB H 1.346 0.000 1 1373 . 161 ALA CB C 17.460 0.000 1 1374 . 161 ALA C C 177.890 0.000 1 1375 . 162 LYS N N 115.990 0.000 1 1376 . 162 LYS H H 7.527 0.000 1 1377 . 162 LYS CA C 54.896 0.000 1 1378 . 162 LYS HA H 4.252 0.000 1 1379 . 162 LYS CB C 30.582 0.000 1 1380 . 162 LYS HB2 H 1.967 0.000 2 1381 . 162 LYS HB3 H 1.688 0.000 2 1382 . 162 LYS HG2 H 1.466 0.000 2 1383 . 162 LYS HG3 H 1.351 0.000 2 1384 . 162 LYS HD2 H 1.708 0.000 1 1385 . 162 LYS HD3 H 1.708 0.000 1 1386 . 162 LYS HE2 H 2.984 0.000 1 1387 . 162 LYS HE3 H 2.984 0.000 1 1388 . 162 LYS C C 175.360 0.000 1 1389 . 163 ASP N N 117.396 0.000 1 1390 . 163 ASP H H 8.092 0.000 1 1391 . 163 ASP CA C 52.576 0.000 1 1392 . 163 ASP HA H 4.547 0.000 1 1393 . 163 ASP CB C 37.741 0.000 1 1394 . 163 ASP HB2 H 2.844 0.000 1 1395 . 163 ASP HB3 H 2.844 0.000 1 1396 . 164 PRO CA C 63.315 0.000 1 1397 . 164 PRO HA H 4.448 0.000 1 1398 . 164 PRO CB C 30.575 0.000 1 1399 . 164 PRO HB2 H 2.044 0.000 1 1400 . 164 PRO HB3 H 2.044 0.000 1 1401 . 164 PRO HG2 H 1.828 0.000 1 1402 . 164 PRO HG3 H 1.828 0.000 1 1403 . 164 PRO HD2 H 3.438 0.000 1 1404 . 164 PRO HD3 H 3.438 0.000 1 1405 . 164 PRO C C 176.024 0.000 1 1406 . 165 ARG N N 119.083 0.000 1 1407 . 165 ARG H H 8.004 0.000 1 1408 . 165 ARG CA C 54.009 0.000 1 1409 . 165 ARG HA H 5.100 0.000 1 1410 . 165 ARG CB C 32.317 0.000 1 1411 . 165 ARG HB2 H 2.005 0.000 2 1412 . 165 ARG HB3 H 1.863 0.000 2 1413 . 165 ARG HG2 H 1.689 0.000 1 1414 . 165 ARG HG3 H 1.689 0.000 1 1415 . 165 ARG HD2 H 3.115 0.000 1 1416 . 165 ARG HD3 H 3.115 0.000 1 1417 . 165 ARG C C 176.234 0.000 1 1418 . 166 GLY N N 109.521 0.000 1 1419 . 166 GLY H H 8.099 0.000 1 1420 . 166 GLY CA C 44.257 0.000 1 1421 . 166 GLY HA2 H 4.228 0.000 1 1422 . 166 GLY HA3 H 4.228 0.000 1 1423 . 166 GLY C C 171.504 0.000 1 1424 . 167 THR N N 115.581 0.000 1 1425 . 167 THR H H 8.317 0.000 1 1426 . 167 THR CA C 61.210 0.000 1 1427 . 167 THR HA H 5.270 0.000 1 1428 . 167 THR CB C 68.593 0.000 1 1429 . 167 THR HB H 4.064 0.000 1 1430 . 167 THR HG2 H 1.192 0.000 1 1431 . 167 THR CG2 C 21.835 0.000 1 1432 . 167 THR C C 173.652 0.000 1 1433 . 168 TYR N N 125.688 0.000 1 1434 . 168 TYR H H 9.504 0.000 1 1435 . 168 TYR CA C 56.646 0.000 1 1436 . 168 TYR HA H 5.659 0.000 1 1437 . 168 TYR CB C 42.248 0.000 1 1438 . 168 TYR HB2 H 3.086 0.000 2 1439 . 168 TYR HB3 H 2.868 0.000 2 1440 . 168 TYR HD1 H 7.073 0.000 1 1441 . 168 TYR HD2 H 7.073 0.000 1 1442 . 168 TYR HE1 H 6.483 0.000 1 1443 . 168 TYR HE2 H 6.483 0.000 1 1444 . 168 TYR C C 175.649 0.000 1 1445 . 169 GLN N N 116.271 0.000 1 1446 . 169 GLN H H 8.935 0.000 1 1447 . 169 GLN CA C 53.654 0.000 1 1448 . 169 GLN HA H 4.475 0.000 1 1449 . 169 GLN CB C 34.920 0.000 1 1450 . 169 GLN HB2 H 1.945 0.000 2 1451 . 169 GLN HB3 H 1.658 0.000 2 1452 . 169 GLN HG2 H 1.945 0.000 1 1453 . 169 GLN HG3 H 1.945 0.000 1 1454 . 169 GLN NE2 N 109.521 0.000 1 1455 . 169 GLN HE21 H 7.307 0.000 2 1456 . 169 GLN HE22 H 6.486 0.000 2 1457 . 169 GLN C C 173.201 0.000 1 1458 . 170 CYS N N 113.740 0.000 1 1459 . 170 CYS H H 8.451 0.000 1 1460 . 170 CYS CA C 52.496 0.000 1 1461 . 170 CYS HA H 5.234 0.000 1 1462 . 170 CYS CB C 47.996 0.000 1 1463 . 170 CYS HB2 H 1.916 0.000 1 1464 . 170 CYS HB3 H 1.916 0.000 1 1465 . 170 CYS C C 171.775 0.000 1 1466 . 171 GLN N N 121.147 0.000 1 1467 . 171 GLN H H 8.836 0.000 1 1468 . 171 GLN CA C 54.474 0.000 1 1469 . 171 GLN HA H 4.870 0.000 1 1470 . 171 GLN CB C 33.073 0.000 1 1471 . 171 GLN C C 173.952 0.000 1 1472 . 172 GLY N N 115.107 0.000 1 1473 . 172 GLY H H 8.453 0.000 1 1474 . 172 GLY CA C 42.343 0.000 1 1475 . 172 GLY HA2 H 4.768 0.000 2 1476 . 172 GLY HA3 H 3.678 0.000 2 1477 . 172 GLY C C 173.006 0.000 1 1478 . 173 ALA N N 124.732 0.000 1 1479 . 173 ALA H H 8.784 0.000 1 1480 . 173 ALA CA C 54.100 0.000 1 1481 . 173 ALA HA H 4.035 0.000 1 1482 . 173 ALA HB H 1.444 0.000 1 1483 . 173 ALA CB C 18.007 0.000 1 1484 . 173 ALA C C 178.892 0.000 1 1485 . 174 LYS N N 113.027 0.000 1 1486 . 174 LYS H H 8.838 0.000 1 1487 . 174 LYS CA C 55.194 0.000 1 1488 . 174 LYS HA H 4.483 0.000 1 1489 . 174 LYS CB C 34.413 0.000 1 1490 . 174 LYS HB2 H 1.862 0.000 2 1491 . 174 LYS HB3 H 1.733 0.000 2 1492 . 174 LYS CG C 23.749 0.000 1 1493 . 174 LYS HG2 H 1.332 0.000 1 1494 . 174 LYS HG3 H 1.332 0.000 1 1495 . 174 LYS CD C 28.124 0.000 1 1496 . 174 LYS HD2 H 1.650 0.000 1 1497 . 174 LYS HD3 H 1.650 0.000 1 1498 . 174 LYS HE2 H 2.946 0.000 1 1499 . 174 LYS HE3 H 2.946 0.000 1 1500 . 174 LYS C C 175.709 0.000 1 1501 . 175 GLU N N 118.802 0.000 1 1502 . 175 GLU H H 7.696 0.000 1 1503 . 175 GLU CA C 54.647 0.000 1 1504 . 175 GLU HA H 4.595 0.000 1 1505 . 175 GLU CB C 32.225 0.000 1 1506 . 175 GLU HB2 H 1.901 0.000 1 1507 . 175 GLU HB3 H 1.901 0.000 1 1508 . 175 GLU CG C 35.233 0.000 1 1509 . 175 GLU HG2 H 2.135 0.000 1 1510 . 175 GLU HG3 H 2.135 0.000 1 1511 . 175 GLU C C 173.682 0.000 1 1512 . 176 THR N N 117.123 0.000 1 1513 . 176 THR H H 8.581 0.000 1 1514 . 176 THR CA C 60.936 0.000 1 1515 . 176 THR HA H 4.653 0.000 1 1516 . 176 THR CB C 69.686 0.000 1 1517 . 176 THR HB H 3.828 0.000 1 1518 . 176 THR HG2 H 1.242 0.000 1 1519 . 176 THR CG2 C 20.468 0.000 1 1520 . 176 THR C C 174.312 0.000 1 1521 . 177 SER N N 121.615 0.000 1 1522 . 177 SER H H 9.382 0.000 1 1523 . 177 SER CA C 58.578 0.000 1 1524 . 177 SER HA H 5.206 0.000 1 1525 . 177 SER CB C 65.334 0.000 1 1526 . 177 SER HB2 H 4.349 0.000 1 1527 . 177 SER HB3 H 4.349 0.000 1 1528 . 177 SER C C 173.544 0.000 1 1529 . 179 PRO CA C 61.683 0.000 1 1530 . 179 PRO HA H 4.993 0.000 1 1531 . 179 PRO CB C 30.493 0.000 1 1532 . 179 PRO HB2 H 2.049 0.000 1 1533 . 179 PRO HB3 H 2.049 0.000 1 1534 . 179 PRO HG2 H 1.952 0.000 1 1535 . 179 PRO HG3 H 1.952 0.000 1 1536 . 179 PRO C C 175.724 0.000 1 1537 . 180 LEU N N 125.834 0.000 1 1538 . 180 LEU H H 9.455 0.000 1 1539 . 180 LEU CA C 52.733 0.000 1 1540 . 180 LEU HA H 5.355 0.000 1 1541 . 180 LEU CB C 43.484 0.000 1 1542 . 180 LEU HB2 H 2.044 0.000 1 1543 . 180 LEU HB3 H 2.044 0.000 1 1544 . 180 LEU CG C 26.757 0.000 1 1545 . 180 LEU HG H 1.615 0.000 1 1546 . 180 LEU HD1 H 1.244 0.000 2 1547 . 180 LEU HD2 H 0.956 0.000 2 1548 . 180 LEU CD1 C 24.022 0.000 1 1549 . 180 LEU CD2 C 25.663 0.000 1 1550 . 180 LEU C C 174.748 0.000 1 1551 . 181 GLN N N 130.836 0.000 1 1552 . 181 GLN H H 9.984 0.000 1 1553 . 181 GLN CA C 53.573 0.000 1 1554 . 181 GLN HA H 5.319 0.000 1 1555 . 181 GLN CB C 28.315 0.000 1 1556 . 181 GLN HB2 H 2.189 0.000 1 1557 . 181 GLN HB3 H 2.189 0.000 1 1558 . 181 GLN C C 174.327 0.000 1 1559 . 182 VAL N N 126.951 0.000 1 1560 . 182 VAL H H 9.759 0.000 1 1561 . 182 VAL CA C 61.210 0.000 1 1562 . 182 VAL HA H 4.921 0.000 1 1563 . 182 VAL CB C 33.593 0.000 1 1564 . 182 VAL HB H 2.280 0.000 1 1565 . 182 VAL HG1 H 1.077 0.000 2 1566 . 182 VAL HG2 H 1.114 0.000 2 1567 . 182 VAL CG1 C 21.288 0.000 1 1568 . 182 VAL CG2 C 21.015 0.000 1 1569 . 182 VAL C C 175.704 0.000 1 1570 . 183 TYR N N 130.562 0.000 1 1571 . 183 TYR H H 9.693 0.000 1 1572 . 183 TYR CA C 58.297 0.000 1 1573 . 183 TYR HA H 4.728 0.000 1 1574 . 183 TYR CB C 39.634 0.000 1 1575 . 183 TYR HB2 H 3.277 0.000 2 1576 . 183 TYR HB3 H 2.523 0.000 2 1577 . 183 TYR HD1 H 6.981 0.000 1 1578 . 183 TYR HE1 H 6.545 0.000 1 1579 . 183 TYR HE2 H 6.545 0.000 1 1580 . 183 TYR HD2 H 6.981 0.000 1 1581 . 183 TYR C C 171.742 0.000 1 1582 . 184 TYR N N 127.802 0.000 1 1583 . 184 TYR H H 7.483 0.000 1 1584 . 184 TYR CA C 55.739 0.000 1 1585 . 184 TYR HA H 5.593 0.000 1 1586 . 184 TYR CB C 39.800 0.000 1 1587 . 184 TYR HB2 H 2.855 0.000 1 1588 . 184 TYR HB3 H 2.855 0.000 1 1589 . 184 TYR HD1 H 7.112 0.000 1 1590 . 184 TYR HE1 H 6.692 0.000 1 1591 . 184 TYR HE2 H 6.692 0.000 1 1592 . 184 TYR HD2 H 7.112 0.000 1 stop_ save_