data_17170 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of the Myb2 DNA binding domain in complex with its promoter MRE-1 from Trichomonas vaginalis ; _BMRB_accession_number 17170 _BMRB_flat_file_name bmr17170.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Tai-Huang . . 2 Jiang Ingjye . . 3 Tsai Chen-Kun . . 4 Naik Mandar T. . 5 Chang Chi-Fon . . 6 Wu Wen-Jin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 611 "13C chemical shifts" 476 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-01 original author . stop_ _Original_release_date 2012-08-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of the Myb2 DNA binding domain in complex with its promoter MRE-1 from Trichomonas vaginalis' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Tai-huang . . 2 Jiang Ingjye . . 3 Tsai Chen-Kun . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tvMyb2_MRE-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tvMyb2 $tvMyb2_MRE-1 stop_ _System_molecular_weight 22119 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_tvMyb2_MRE-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tvMyb2_MRE-1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MVQVNLKAAKKQKFTPEEDE MLKRAVAQHGSDWKMIAATF PNRNARQCRDRWKNYLAPSI SHTPWTAEEDALLVQKIQEY GRQWAIIAKFFPGRTDIHIK NRWVTISNKLGIPQTQQMLE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 GLN 4 VAL 5 ASN 6 LEU 7 LYS 8 ALA 9 ALA 10 LYS 11 LYS 12 GLN 13 LYS 14 PHE 15 THR 16 PRO 17 GLU 18 GLU 19 ASP 20 GLU 21 MET 22 LEU 23 LYS 24 ARG 25 ALA 26 VAL 27 ALA 28 GLN 29 HIS 30 GLY 31 SER 32 ASP 33 TRP 34 LYS 35 MET 36 ILE 37 ALA 38 ALA 39 THR 40 PHE 41 PRO 42 ASN 43 ARG 44 ASN 45 ALA 46 ARG 47 GLN 48 CYS 49 ARG 50 ASP 51 ARG 52 TRP 53 LYS 54 ASN 55 TYR 56 LEU 57 ALA 58 PRO 59 SER 60 ILE 61 SER 62 HIS 63 THR 64 PRO 65 TRP 66 THR 67 ALA 68 GLU 69 GLU 70 ASP 71 ALA 72 LEU 73 LEU 74 VAL 75 GLN 76 LYS 77 ILE 78 GLN 79 GLU 80 TYR 81 GLY 82 ARG 83 GLN 84 TRP 85 ALA 86 ILE 87 ILE 88 ALA 89 LYS 90 PHE 91 PHE 92 PRO 93 GLY 94 ARG 95 THR 96 ASP 97 ILE 98 HIS 99 ILE 100 LYS 101 ASN 102 ARG 103 TRP 104 VAL 105 THR 106 ILE 107 SER 108 ASN 109 LYS 110 LEU 111 GLY 112 ILE 113 PRO 114 GLN 115 THR 116 GLN 117 GLN 118 MET 119 LEU 120 GLU 121 HIS 122 HIS 123 HIS 124 HIS 125 HIS 126 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 3OSF "The Structure Of Protozoan Parasite Trichomonas Vaginalis Myb2 In Complex With Mre-2f-13 Dna" 100.00 126 100.00 100.00 1.26e-88 PDB 3OSG "The Structure Of Protozoan Parasite Trichomonas Vaginalis Myb2 In Complex With Mre-1-12 Dna" 100.00 126 100.00 100.00 1.26e-88 GB AAX51242 "MYB21 [Trichomonas vaginalis]" 92.86 179 100.00 100.00 7.31e-81 GB EAY06671 "Myb-like DNA-binding domain containing protein [Trichomonas vaginalis G3]" 92.86 179 100.00 100.00 7.31e-81 REF XP_001318894 "Myb-like DNA-binding domain containing protein [Trichomonas vaginalis G3]" 92.86 179 100.00 100.00 7.31e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tvMyb2_MRE-1 'Trichomonas vaginalis' 5722 Eukaryota . Trichomonas vaginalis 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 $tvMyb2_MRE-1 'recombinant technology' . Escherichia coli . pET-22b 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 EDTA 1 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' $tvMyb2_MRE-1 0.6 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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 pH 6 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name tvMyb2 _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 4 4 VAL H H 8.268 0.020 1 2 4 4 VAL HA H 4.049 0.020 1 3 4 4 VAL HB H 2.004 0.020 1 4 4 4 VAL HG1 H 0.864 0.020 2 5 4 4 VAL HG2 H 0.873 0.020 2 6 4 4 VAL C C 175.426 0.300 1 7 4 4 VAL CA C 62.516 0.300 1 8 4 4 VAL CB C 32.834 0.300 1 9 4 4 VAL CG1 C 20.927 0.300 2 10 4 4 VAL CG2 C 20.472 0.300 2 11 4 4 VAL N N 122.434 0.300 1 12 5 5 ASN H H 8.471 0.020 1 13 5 5 ASN HA H 4.699 0.020 1 14 5 5 ASN HB2 H 2.800 0.020 2 15 5 5 ASN HB3 H 2.700 0.020 2 16 5 5 ASN C C 174.835 0.300 1 17 5 5 ASN CA C 52.884 0.300 1 18 5 5 ASN CB C 38.735 0.300 1 19 5 5 ASN N N 122.380 0.300 1 20 6 6 LEU H H 8.205 0.020 1 21 6 6 LEU HA H 4.251 0.020 1 22 6 6 LEU HB2 H 1.568 0.020 2 23 6 6 LEU HB3 H 1.568 0.020 2 24 6 6 LEU HD1 H 0.873 0.020 2 25 6 6 LEU HD2 H 0.813 0.020 2 26 6 6 LEU HG H 1.568 0.020 1 27 6 6 LEU C C 177.067 0.300 1 28 6 6 LEU CA C 55.311 0.300 1 29 6 6 LEU CB C 42.368 0.300 1 30 6 6 LEU CD1 C 25.147 0.300 2 31 6 6 LEU CD2 C 24.238 0.300 2 32 6 6 LEU CG C 27.005 0.300 1 33 6 6 LEU N N 123.549 0.300 1 34 7 7 LYS H H 8.155 0.020 1 35 7 7 LYS HA H 4.264 0.020 1 36 7 7 LYS HB2 H 1.702 0.020 2 37 7 7 LYS HB3 H 1.702 0.020 2 38 7 7 LYS HD2 H 1.654 0.020 2 39 7 7 LYS HD3 H 1.654 0.020 2 40 7 7 LYS HE2 H 3.000 0.020 2 41 7 7 LYS HE3 H 2.969 0.020 2 42 7 7 LYS HG2 H 1.376 0.020 2 43 7 7 LYS HG3 H 1.376 0.020 2 44 7 7 LYS C C 175.853 0.300 1 45 7 7 LYS CA C 56.002 0.300 1 46 7 7 LYS CB C 32.938 0.300 1 47 7 7 LYS CD C 28.931 0.300 1 48 7 7 LYS CE C 41.969 0.300 1 49 7 7 LYS CG C 24.474 0.300 1 50 7 7 LYS N N 121.836 0.300 1 51 8 8 ALA H H 8.159 0.020 1 52 8 8 ALA HA H 4.269 0.020 1 53 8 8 ALA HB H 1.337 0.020 1 54 8 8 ALA C C 176.919 0.300 1 55 8 8 ALA CA C 52.055 0.300 1 56 8 8 ALA CB C 19.440 0.300 1 57 8 8 ALA N N 125.759 0.300 1 58 9 9 ALA H H 8.204 0.020 1 59 9 9 ALA HA H 4.252 0.020 1 60 9 9 ALA HB H 1.337 0.020 1 61 9 9 ALA C C 176.940 0.300 1 62 9 9 ALA CA C 52.005 0.300 1 63 9 9 ALA CB C 19.592 0.300 1 64 9 9 ALA N N 124.279 0.300 1 65 10 10 LYS H H 8.251 0.020 1 66 10 10 LYS HA H 4.274 0.020 1 67 10 10 LYS HB2 H 1.788 0.020 2 68 10 10 LYS HB3 H 1.788 0.020 2 69 10 10 LYS HD2 H 1.654 0.020 2 70 10 10 LYS HD3 H 1.654 0.020 2 71 10 10 LYS HE2 H 2.967 0.020 2 72 10 10 LYS HE3 H 2.967 0.020 2 73 10 10 LYS HG2 H 1.378 0.020 2 74 10 10 LYS HG3 H 1.378 0.020 2 75 10 10 LYS C C 176.854 0.300 1 76 10 10 LYS CA C 55.805 0.300 1 77 10 10 LYS CB C 33.791 0.300 1 78 10 10 LYS CD C 29.043 0.300 1 79 10 10 LYS CE C 42.080 0.300 1 80 10 10 LYS CG C 24.586 0.300 1 81 10 10 LYS N N 119.998 0.300 1 82 11 11 LYS H H 8.276 0.020 1 83 11 11 LYS HA H 4.418 0.020 1 84 11 11 LYS HB2 H 1.784 0.020 2 85 11 11 LYS HB3 H 1.688 0.020 2 86 11 11 LYS HD2 H 1.642 0.020 2 87 11 11 LYS HD3 H 1.642 0.020 2 88 11 11 LYS HE2 H 2.810 0.020 2 89 11 11 LYS HE3 H 2.718 0.020 2 90 11 11 LYS HG2 H 1.418 0.020 2 91 11 11 LYS HG3 H 1.418 0.020 2 92 11 11 LYS C C 175.771 0.300 1 93 11 11 LYS CA C 55.542 0.300 1 94 11 11 LYS CB C 34.206 0.300 1 95 11 11 LYS CD C 29.407 0.300 1 96 11 11 LYS CE C 38.544 0.300 1 97 11 11 LYS CG C 24.504 0.300 1 98 11 11 LYS N N 119.681 0.300 1 99 12 12 GLN H H 9.844 0.020 1 100 12 12 GLN HA H 4.451 0.020 1 101 12 12 GLN HB2 H 1.935 0.020 2 102 12 12 GLN HB3 H 1.737 0.020 2 103 12 12 GLN HG2 H 2.237 0.020 2 104 12 12 GLN HG3 H 2.237 0.020 2 105 12 12 GLN C C 176.427 0.300 1 106 12 12 GLN CA C 54.174 0.300 1 107 12 12 GLN CB C 27.128 0.300 1 108 12 12 GLN CG C 33.411 0.300 1 109 12 12 GLN N N 128.706 0.300 1 110 13 13 LYS H H 8.090 0.020 1 111 13 13 LYS HA H 4.420 0.020 1 112 13 13 LYS HB2 H 1.888 0.020 2 113 13 13 LYS HB3 H 1.888 0.020 2 114 13 13 LYS C C 177.937 0.300 1 115 13 13 LYS CA C 57.502 0.300 1 116 13 13 LYS CB C 32.357 0.300 1 117 13 13 LYS N N 126.091 0.300 1 118 14 14 PHE H H 10.070 0.020 1 119 14 14 PHE HA H 4.259 0.020 1 120 14 14 PHE HB2 H 2.986 0.020 2 121 14 14 PHE HB3 H 2.986 0.020 2 122 14 14 PHE C C 178.708 0.300 1 123 14 14 PHE CA C 58.435 0.300 1 124 14 14 PHE CB C 39.370 0.300 1 125 14 14 PHE N N 125.468 0.300 1 126 15 15 THR H H 8.740 0.020 1 127 15 15 THR C C 173.982 0.300 1 128 15 15 THR CA C 59.200 0.300 1 129 15 15 THR CB C 69.160 0.300 1 130 15 15 THR CG2 C 22.135 0.300 1 131 15 15 THR N N 117.200 0.300 1 132 16 16 PRO HA H 4.405 0.020 1 133 16 16 PRO HB2 H 2.466 0.020 2 134 16 16 PRO HB3 H 1.955 0.020 2 135 16 16 PRO HD2 H 3.912 0.020 2 136 16 16 PRO HD3 H 3.912 0.020 2 137 16 16 PRO HG2 H 2.196 0.020 2 138 16 16 PRO HG3 H 2.042 0.020 2 139 16 16 PRO C C 179.714 0.300 1 140 16 16 PRO CA C 65.812 0.300 1 141 16 16 PRO CB C 31.680 0.300 1 142 16 16 PRO CD C 50.347 0.300 1 143 17 17 GLU H H 8.548 0.020 1 144 17 17 GLU HA H 4.107 0.020 1 145 17 17 GLU HB2 H 2.088 0.020 2 146 17 17 GLU HB3 H 1.943 0.020 2 147 17 17 GLU HG2 H 2.398 0.020 2 148 17 17 GLU HG3 H 2.270 0.020 2 149 17 17 GLU C C 179.899 0.300 1 150 17 17 GLU CA C 60.068 0.300 1 151 17 17 GLU CB C 29.038 0.300 1 152 17 17 GLU CG C 36.732 0.300 1 153 17 17 GLU N N 117.529 0.300 1 154 18 18 GLU H H 7.928 0.020 1 155 18 18 GLU HA H 4.400 0.020 1 156 18 18 GLU HB2 H 2.625 0.020 2 157 18 18 GLU HB3 H 2.200 0.020 2 158 18 18 GLU HG2 H 2.418 0.020 2 159 18 18 GLU HG3 H 2.418 0.020 2 160 18 18 GLU C C 179.221 0.300 1 161 18 18 GLU CA C 59.753 0.300 1 162 18 18 GLU CB C 32.691 0.300 1 163 18 18 GLU CG C 38.403 0.300 1 164 18 18 GLU N N 121.381 0.300 1 165 19 19 ASP H H 8.824 0.020 1 166 19 19 ASP HA H 4.628 0.020 1 167 19 19 ASP HB2 H 2.797 0.020 2 168 19 19 ASP HB3 H 2.487 0.020 2 169 19 19 ASP C C 179.264 0.300 1 170 19 19 ASP CA C 57.776 0.300 1 171 19 19 ASP CB C 40.571 0.300 1 172 19 19 ASP N N 121.811 0.300 1 173 20 20 GLU H H 7.882 0.020 1 174 20 20 GLU HA H 4.101 0.020 1 175 20 20 GLU HB2 H 2.013 0.020 2 176 20 20 GLU HB3 H 2.013 0.020 2 177 20 20 GLU HG2 H 2.320 0.020 2 178 20 20 GLU HG3 H 2.320 0.020 2 179 20 20 GLU C C 179.779 0.300 1 180 20 20 GLU CA C 59.200 0.300 1 181 20 20 GLU CB C 28.921 0.300 1 182 20 20 GLU CG C 33.946 0.300 1 183 20 20 GLU N N 119.052 0.300 1 184 21 21 MET H H 8.009 0.020 1 185 21 21 MET HA H 4.005 0.020 1 186 21 21 MET HB2 H 2.409 0.020 2 187 21 21 MET HB3 H 2.030 0.020 2 188 21 21 MET HG2 H 2.651 0.020 2 189 21 21 MET HG3 H 2.651 0.020 2 190 21 21 MET C C 179.267 0.300 1 191 21 21 MET CA C 59.526 0.300 1 192 21 21 MET CB C 33.409 0.300 1 193 21 21 MET CG C 32.246 0.300 1 194 21 21 MET N N 119.516 0.300 1 195 22 22 LEU H H 9.286 0.020 1 196 22 22 LEU HA H 4.377 0.020 1 197 22 22 LEU HB2 H 2.497 0.020 2 198 22 22 LEU HB3 H 2.016 0.020 2 199 22 22 LEU HD1 H 1.157 0.020 2 200 22 22 LEU HD2 H 1.157 0.020 2 201 22 22 LEU HG H 0.458 0.020 1 202 22 22 LEU C C 177.845 0.300 1 203 22 22 LEU CA C 58.565 0.300 1 204 22 22 LEU CB C 41.102 0.300 1 205 22 22 LEU CD1 C 27.211 0.300 2 206 22 22 LEU CD2 C 22.530 0.300 2 207 22 22 LEU CG C 30.084 0.300 1 208 22 22 LEU N N 123.524 0.300 1 209 23 23 LYS H H 8.610 0.020 1 210 23 23 LYS HA H 4.077 0.020 1 211 23 23 LYS HB2 H 2.100 0.020 2 212 23 23 LYS HB3 H 2.100 0.020 2 213 23 23 LYS HD2 H 1.713 0.020 2 214 23 23 LYS HD3 H 1.713 0.020 2 215 23 23 LYS HE2 H 3.020 0.020 2 216 23 23 LYS HE3 H 3.020 0.020 2 217 23 23 LYS HG2 H 1.550 0.020 2 218 23 23 LYS HG3 H 1.400 0.020 2 219 23 23 LYS C C 180.091 0.300 1 220 23 23 LYS CA C 60.976 0.300 1 221 23 23 LYS CB C 32.740 0.300 1 222 23 23 LYS CD C 29.154 0.300 1 223 23 23 LYS CE C 42.303 0.300 1 224 23 23 LYS CG C 25.143 0.300 1 225 23 23 LYS N N 118.871 0.300 1 226 24 24 ARG H H 7.854 0.020 1 227 24 24 ARG HA H 4.043 0.020 1 228 24 24 ARG HB2 H 1.920 0.020 2 229 24 24 ARG HB3 H 1.843 0.020 2 230 24 24 ARG HD2 H 3.208 0.020 2 231 24 24 ARG HD3 H 3.135 0.020 2 232 24 24 ARG HG2 H 1.595 0.020 2 233 24 24 ARG HG3 H 1.595 0.020 2 234 24 24 ARG C C 178.335 0.300 1 235 24 24 ARG CA C 59.540 0.300 1 236 24 24 ARG CB C 29.912 0.300 1 237 24 24 ARG CD C 43.545 0.300 1 238 24 24 ARG CG C 27.482 0.300 1 239 24 24 ARG N N 118.809 0.300 1 240 25 25 ALA H H 8.382 0.020 1 241 25 25 ALA HA H 4.247 0.020 1 242 25 25 ALA HB H 1.673 0.020 1 243 25 25 ALA C C 180.050 0.300 1 244 25 25 ALA CA C 54.976 0.300 1 245 25 25 ALA CB C 19.657 0.300 1 246 25 25 ALA N N 123.227 0.300 1 247 26 26 VAL H H 8.545 0.020 1 248 26 26 VAL HA H 3.339 0.020 1 249 26 26 VAL HB H 1.294 0.020 1 250 26 26 VAL HG1 H 0.293 0.020 2 251 26 26 VAL C C 179.254 0.300 1 252 26 26 VAL CA C 65.494 0.300 1 253 26 26 VAL CB C 31.615 0.300 1 254 26 26 VAL CG1 C 22.748 0.300 2 255 26 26 VAL CG2 C 19.741 0.300 2 256 26 26 VAL N N 120.984 0.300 1 257 27 27 ALA H H 7.477 0.020 1 258 27 27 ALA HA H 4.046 0.020 1 259 27 27 ALA HB H 1.477 0.020 1 260 27 27 ALA C C 179.237 0.300 1 261 27 27 ALA CA C 55.021 0.300 1 262 27 27 ALA CB C 17.803 0.300 1 263 27 27 ALA N N 122.623 0.300 1 264 28 28 GLN H H 7.274 0.020 1 265 28 28 GLN HA H 3.949 0.020 1 266 28 28 GLN HB2 H 1.693 0.020 2 267 28 28 GLN HB3 H 1.352 0.020 2 268 28 28 GLN HG2 H 2.023 0.020 2 269 28 28 GLN HG3 H 1.792 0.020 2 270 28 28 GLN C C 177.416 0.300 1 271 28 28 GLN CA C 57.768 0.300 1 272 28 28 GLN CB C 29.851 0.300 1 273 28 28 GLN CG C 33.415 0.300 1 274 28 28 GLN N N 114.085 0.300 1 275 29 29 HIS H H 8.352 0.020 1 276 29 29 HIS HA H 4.721 0.020 1 277 29 29 HIS HB2 H 3.057 0.020 2 278 29 29 HIS HB3 H 2.608 0.020 2 279 29 29 HIS C C 176.053 0.300 1 280 29 29 HIS CA C 55.450 0.300 1 281 29 29 HIS CB C 31.120 0.300 1 282 29 29 HIS N N 114.124 0.300 1 283 30 30 GLY H H 8.446 0.020 1 284 30 30 GLY HA2 H 3.684 0.020 2 285 30 30 GLY HA3 H 3.412 0.020 2 286 30 30 GLY C C 172.049 0.300 1 287 30 30 GLY CA C 46.883 0.300 1 288 30 30 GLY N N 112.943 0.300 1 289 31 31 SER H H 7.906 0.020 1 290 31 31 SER HA H 3.256 0.020 1 291 31 31 SER HB2 H 3.857 0.020 2 292 31 31 SER HB3 H 3.622 0.020 2 293 31 31 SER C C 179.747 0.300 1 294 31 31 SER CA C 55.965 0.300 1 295 31 31 SER CB C 62.561 0.300 1 296 31 31 SER N N 116.815 0.300 1 297 32 32 ASP H H 6.807 0.020 1 298 32 32 ASP HA H 4.525 0.020 1 299 32 32 ASP HB2 H 2.780 0.020 2 300 32 32 ASP HB3 H 2.351 0.020 2 301 32 32 ASP C C 176.086 0.300 1 302 32 32 ASP CA C 51.726 0.300 1 303 32 32 ASP CB C 38.625 0.300 1 304 32 32 ASP N N 120.114 0.300 1 305 33 33 TRP H H 7.430 0.020 1 306 33 33 TRP HA H 4.285 0.020 1 307 33 33 TRP HB2 H 3.550 0.020 2 308 33 33 TRP HB3 H 3.168 0.020 2 309 33 33 TRP C C 177.678 0.300 1 310 33 33 TRP CA C 60.160 0.300 1 311 33 33 TRP CB C 29.287 0.300 1 312 33 33 TRP N N 124.674 0.300 1 313 34 34 LYS H H 8.310 0.020 1 314 34 34 LYS HA H 4.045 0.020 1 315 34 34 LYS HB2 H 1.850 0.020 2 316 34 34 LYS HB3 H 1.850 0.020 2 317 34 34 LYS HD2 H 1.712 0.020 2 318 34 34 LYS HD3 H 1.666 0.020 2 319 34 34 LYS HE2 H 3.031 0.020 2 320 34 34 LYS HE3 H 3.031 0.020 2 321 34 34 LYS HG2 H 1.370 0.020 2 322 34 34 LYS HG3 H 1.370 0.020 2 323 34 34 LYS C C 179.316 0.300 1 324 34 34 LYS CA C 59.950 0.300 1 325 34 34 LYS CB C 31.980 0.300 1 326 34 34 LYS CD C 28.820 0.300 1 327 34 34 LYS CE C 42.080 0.300 1 328 34 34 LYS CG C 25.031 0.300 1 329 34 34 LYS N N 118.679 0.300 1 330 35 35 MET H H 7.309 0.020 1 331 35 35 MET HA H 4.085 0.020 1 332 35 35 MET HB2 H 2.147 0.020 2 333 35 35 MET HB3 H 2.076 0.020 2 334 35 35 MET C C 178.811 0.300 1 335 35 35 MET CA C 57.135 0.300 1 336 35 35 MET CB C 31.745 0.300 1 337 35 35 MET N N 119.829 0.300 1 338 36 36 ILE H H 8.118 0.020 1 339 36 36 ILE HA H 3.339 0.020 1 340 36 36 ILE HB H 1.816 0.020 1 341 36 36 ILE HD1 H 0.018 0.020 1 342 36 36 ILE HG12 H 1.397 0.020 2 343 36 36 ILE HG13 H 1.374 0.020 2 344 36 36 ILE HG2 H 1.089 0.020 1 345 36 36 ILE C C 178.836 0.300 1 346 36 36 ILE CA C 65.531 0.300 1 347 36 36 ILE CB C 38.236 0.300 1 348 36 36 ILE CD1 C 13.244 0.300 1 349 36 36 ILE CG1 C 30.437 0.300 1 350 36 36 ILE CG2 C 17.131 0.300 1 351 36 36 ILE N N 120.349 0.300 1 352 37 37 ALA H H 8.692 0.020 1 353 37 37 ALA HA H 4.246 0.020 1 354 37 37 ALA HB H 1.482 0.020 1 355 37 37 ALA C C 178.889 0.300 1 356 37 37 ALA CA C 55.788 0.300 1 357 37 37 ALA CB C 17.909 0.300 1 358 37 37 ALA N N 122.394 0.300 1 359 38 38 ALA H H 7.282 0.020 1 360 38 38 ALA HA H 4.278 0.020 1 361 38 38 ALA HB H 1.476 0.020 1 362 38 38 ALA C C 178.413 0.300 1 363 38 38 ALA CA C 54.136 0.300 1 364 38 38 ALA CB C 17.818 0.300 1 365 38 38 ALA N N 117.743 0.300 1 366 39 39 THR H H 7.617 0.020 1 367 39 39 THR HA H 4.521 0.020 1 368 39 39 THR HB H 4.096 0.020 1 369 39 39 THR HG2 H 1.143 0.020 1 370 39 39 THR C C 173.735 0.300 1 371 39 39 THR CA C 62.728 0.300 1 372 39 39 THR CB C 69.103 0.300 1 373 39 39 THR CG2 C 22.007 0.300 1 374 39 39 THR N N 110.049 0.300 1 375 40 40 PHE H H 7.842 0.020 1 376 40 40 PHE HA H 4.740 0.020 1 377 40 40 PHE HB2 H 3.098 0.020 2 378 40 40 PHE HB3 H 3.098 0.020 2 379 40 40 PHE C C 174.573 0.300 1 380 40 40 PHE CA C 55.548 0.300 1 381 40 40 PHE CB C 40.552 0.300 1 382 40 40 PHE N N 121.053 0.300 1 383 41 41 PRO HA H 4.319 0.020 1 384 41 41 PRO HB2 H 2.358 0.020 2 385 41 41 PRO HB3 H 1.953 0.020 2 386 41 41 PRO HD2 H 3.907 0.020 2 387 41 41 PRO HD3 H 3.689 0.020 2 388 41 41 PRO HG2 H 2.187 0.020 2 389 41 41 PRO HG3 H 2.097 0.020 2 390 41 41 PRO C C 178.003 0.300 1 391 41 41 PRO CA C 64.450 0.300 1 392 41 41 PRO CB C 31.730 0.300 1 393 41 41 PRO CD C 50.586 0.300 1 394 41 41 PRO CG C 27.278 0.300 1 395 42 42 ASN H H 8.114 0.020 1 396 42 42 ASN HA H 4.737 0.020 1 397 42 42 ASN HB2 H 2.797 0.020 2 398 42 42 ASN HB3 H 2.693 0.020 2 399 42 42 ASN C C 174.129 0.300 1 400 42 42 ASN CA C 53.287 0.300 1 401 42 42 ASN CB C 38.225 0.300 1 402 42 42 ASN N N 114.806 0.300 1 403 43 43 ARG H H 7.752 0.020 1 404 43 43 ARG HA H 5.126 0.020 1 405 43 43 ARG HB2 H 1.464 0.020 2 406 43 43 ARG HB3 H 1.464 0.020 2 407 43 43 ARG HD2 H 2.746 0.020 2 408 43 43 ARG HG2 H 0.908 0.020 2 409 43 43 ARG HG3 H 0.908 0.020 2 410 43 43 ARG C C 174.819 0.300 1 411 43 43 ARG CA C 53.624 0.300 1 412 43 43 ARG CB C 35.245 0.300 1 413 43 43 ARG CD C 43.528 0.300 1 414 43 43 ARG CG C 25.707 0.300 1 415 43 43 ARG N N 116.828 0.300 1 416 44 44 ASN H H 8.668 0.020 1 417 44 44 ASN HA H 5.011 0.020 1 418 44 44 ASN HB2 H 3.208 0.020 2 419 44 44 ASN HB3 H 2.712 0.020 2 420 44 44 ASN C C 175.984 0.300 1 421 44 44 ASN CA C 50.499 0.300 1 422 44 44 ASN CB C 41.170 0.300 1 423 44 44 ASN N N 116.842 0.300 1 424 45 45 ALA H H 8.561 0.020 1 425 45 45 ALA HA H 4.064 0.020 1 426 45 45 ALA HB H 1.385 0.020 1 427 45 45 ALA C C 178.380 0.300 1 428 45 45 ALA CA C 55.378 0.300 1 429 45 45 ALA CB C 17.756 0.300 1 430 45 45 ALA N N 121.092 0.300 1 431 46 46 ARG H H 8.083 0.020 1 432 46 46 ARG HA H 3.620 0.020 1 433 46 46 ARG HB2 H 1.954 0.020 2 434 46 46 ARG HB3 H 1.718 0.020 2 435 46 46 ARG HD2 H 3.086 0.020 2 436 46 46 ARG HD3 H 3.086 0.020 2 437 46 46 ARG HG2 H 1.560 0.020 2 438 46 46 ARG HG3 H 1.442 0.020 2 439 46 46 ARG C C 178.236 0.300 1 440 46 46 ARG CA C 59.674 0.300 1 441 46 46 ARG CB C 27.870 0.300 1 442 46 46 ARG CD C 42.056 0.300 1 443 46 46 ARG CG C 24.929 0.300 1 444 46 46 ARG N N 118.841 0.300 1 445 47 47 GLN H H 8.739 0.020 1 446 47 47 GLN HA H 4.040 0.020 1 447 47 47 GLN C C 180.452 0.300 1 448 47 47 GLN CA C 58.785 0.300 1 449 47 47 GLN CB C 30.268 0.300 1 450 47 47 GLN N N 116.983 0.300 1 451 48 48 CYS H H 7.544 0.020 1 452 48 48 CYS HA H 3.988 0.020 1 453 48 48 CYS HB2 H 3.264 0.020 2 454 48 48 CYS HB3 H 2.849 0.020 2 455 48 48 CYS C C 173.953 0.300 1 456 48 48 CYS CA C 63.450 0.300 1 457 48 48 CYS CB C 27.601 0.300 1 458 48 48 CYS N N 115.734 0.300 1 459 49 49 ARG H H 8.122 0.020 1 460 49 49 ARG HA H 3.620 0.020 1 461 49 49 ARG HB2 H 1.695 0.020 2 462 49 49 ARG HB3 H 1.695 0.020 2 463 49 49 ARG HD2 H 3.044 0.020 2 464 49 49 ARG HD3 H 3.044 0.020 2 465 49 49 ARG HG2 H 1.518 0.020 2 466 49 49 ARG HG3 H 1.518 0.020 2 467 49 49 ARG C C 177.777 0.300 1 468 49 49 ARG CA C 58.785 0.300 1 469 49 49 ARG CB C 29.774 0.300 1 470 49 49 ARG CD C 42.167 0.300 1 471 49 49 ARG CG C 25.485 0.300 1 472 49 49 ARG N N 122.629 0.300 1 473 50 50 ASP H H 8.479 0.020 1 474 50 50 ASP HA H 4.086 0.020 1 475 50 50 ASP HB2 H 2.786 0.020 2 476 50 50 ASP HB3 H 2.687 0.020 2 477 50 50 ASP C C 178.778 0.300 1 478 50 50 ASP CA C 56.846 0.300 1 479 50 50 ASP CB C 39.416 0.300 1 480 50 50 ASP N N 117.685 0.300 1 481 51 51 ARG H H 7.389 0.020 1 482 51 51 ARG HA H 4.273 0.020 1 483 51 51 ARG C C 179.008 0.300 1 484 51 51 ARG CA C 57.581 0.300 1 485 51 51 ARG CB C 30.144 0.300 1 486 51 51 ARG N N 120.871 0.300 1 487 52 52 TRP H H 8.157 0.020 1 488 52 52 TRP HA H 4.221 0.020 1 489 52 52 TRP HB2 H 3.333 0.020 2 490 52 52 TRP HB3 H 3.333 0.020 2 491 52 52 TRP C C 176.447 0.300 1 492 52 52 TRP CA C 61.817 0.300 1 493 52 52 TRP CB C 30.073 0.300 1 494 52 52 TRP N N 119.157 0.300 1 495 53 53 LYS H H 8.727 0.020 1 496 53 53 LYS HA H 3.593 0.020 1 497 53 53 LYS HB2 H 1.910 0.020 2 498 53 53 LYS HB3 H 1.680 0.020 2 499 53 53 LYS HD2 H 1.710 0.020 2 500 53 53 LYS HD3 H 1.660 0.020 2 501 53 53 LYS HE2 H 3.039 0.020 2 502 53 53 LYS HE3 H 3.039 0.020 2 503 53 53 LYS HG2 H 1.570 0.020 2 504 53 53 LYS HG3 H 1.440 0.020 2 505 53 53 LYS C C 176.775 0.300 1 506 53 53 LYS CA C 59.585 0.300 1 507 53 53 LYS CB C 33.012 0.300 1 508 53 53 LYS CD C 29.544 0.300 1 509 53 53 LYS CE C 42.019 0.300 1 510 53 53 LYS CG C 25.366 0.300 1 511 53 53 LYS N N 113.960 0.300 1 512 54 54 ASN H H 7.477 0.020 1 513 54 54 ASN HA H 4.553 0.020 1 514 54 54 ASN HB2 H 2.536 0.020 2 515 54 54 ASN HB3 H 2.536 0.020 2 516 54 54 ASN C C 173.687 0.300 1 517 54 54 ASN CA C 54.205 0.300 1 518 54 54 ASN CB C 41.752 0.300 1 519 54 54 ASN N N 107.003 0.300 1 520 55 55 TYR H H 7.209 0.020 1 521 55 55 TYR HA H 4.851 0.020 1 522 55 55 TYR HB2 H 2.872 0.020 2 523 55 55 TYR HB3 H 2.872 0.020 2 524 55 55 TYR C C 175.459 0.300 1 525 55 55 TYR CA C 60.776 0.300 1 526 55 55 TYR CB C 41.782 0.300 1 527 55 55 TYR N N 111.910 0.300 1 528 56 56 LEU H H 7.481 0.020 1 529 56 56 LEU HA H 4.482 0.020 1 530 56 56 LEU HB2 H 1.564 0.020 2 531 56 56 LEU HB3 H 1.475 0.020 2 532 56 56 LEU HD1 H 0.816 0.020 2 533 56 56 LEU HD2 H 0.756 0.020 2 534 56 56 LEU HG H 1.682 0.020 1 535 56 56 LEU C C 175.639 0.300 1 536 56 56 LEU CA C 55.353 0.300 1 537 56 56 LEU CB C 42.548 0.300 1 538 56 56 LEU CD1 C 24.999 0.300 2 539 56 56 LEU CD2 C 23.308 0.300 2 540 56 56 LEU CG C 26.735 0.300 1 541 56 56 LEU N N 116.861 0.300 1 542 57 57 ALA H H 7.617 0.020 1 543 57 57 ALA HA H 4.376 0.020 1 544 57 57 ALA C C 177.100 0.300 1 545 57 57 ALA CA C 50.875 0.300 1 546 57 57 ALA CB C 16.019 0.300 1 547 57 57 ALA N N 123.908 0.300 1 548 58 58 PRO HA H 4.274 0.020 1 549 58 58 PRO HB2 H 2.328 0.020 2 550 58 58 PRO HB3 H 1.958 0.020 2 551 58 58 PRO C C 176.497 0.300 1 552 58 58 PRO CA C 64.690 0.300 1 553 58 58 PRO CB C 31.450 0.300 1 554 59 59 SER H H 7.128 0.020 1 555 59 59 SER HA H 4.151 0.020 1 556 59 59 SER HB2 H 3.863 0.020 2 557 59 59 SER HB3 H 3.623 0.020 2 558 59 59 SER C C 174.187 0.300 1 559 59 59 SER CA C 57.942 0.300 1 560 59 59 SER CB C 62.728 0.300 1 561 59 59 SER N N 108.852 0.300 1 562 60 60 ILE H H 7.299 0.020 1 563 60 60 ILE HA H 3.843 0.020 1 564 60 60 ILE HB H 1.697 0.020 1 565 60 60 ILE HD1 H 0.452 0.020 1 566 60 60 ILE HG12 H 1.104 0.020 2 567 60 60 ILE HG13 H 1.104 0.020 2 568 60 60 ILE HG2 H 0.663 0.020 1 569 60 60 ILE C C 176.349 0.300 1 570 60 60 ILE CA C 58.565 0.300 1 571 60 60 ILE CB C 35.798 0.300 1 572 60 60 ILE CD1 C 9.648 0.300 1 573 60 60 ILE CG1 C 27.018 0.300 1 574 60 60 ILE CG2 C 17.251 0.300 1 575 60 60 ILE N N 123.206 0.300 1 576 61 61 SER H H 9.291 0.020 1 577 61 61 SER HA H 4.311 0.020 1 578 61 61 SER HB2 H 3.714 0.020 2 579 61 61 SER HB3 H 3.518 0.020 2 580 61 61 SER C C 175.371 0.300 1 581 61 61 SER CA C 57.134 0.300 1 582 61 61 SER CB C 63.639 0.300 1 583 61 61 SER N N 122.736 0.300 1 584 62 62 HIS H H 8.903 0.020 1 585 62 62 HIS HA H 4.779 0.020 1 586 62 62 HIS HB2 H 3.468 0.020 2 587 62 62 HIS HB3 H 2.947 0.020 2 588 62 62 HIS C C 174.292 0.300 1 589 62 62 HIS CA C 54.267 0.300 1 590 62 62 HIS CB C 27.870 0.300 1 591 62 62 HIS N N 123.824 0.300 1 592 63 63 THR H H 7.712 0.020 1 593 63 63 THR HA H 4.622 0.020 1 594 63 63 THR HB H 4.109 0.020 1 595 63 63 THR HG2 H 1.185 0.020 1 596 63 63 THR C C 172.948 0.300 1 597 63 63 THR CA C 59.674 0.300 1 598 63 63 THR CB C 68.844 0.300 1 599 63 63 THR CG2 C 21.807 0.300 1 600 63 63 THR N N 114.834 0.300 1 601 64 64 PRO HA H 4.520 0.020 1 602 64 64 PRO HB2 H 2.409 0.020 2 603 64 64 PRO HB3 H 1.863 0.020 2 604 64 64 PRO HD2 H 3.908 0.020 2 605 64 64 PRO HD3 H 3.668 0.020 2 606 64 64 PRO HG2 H 2.037 0.020 2 607 64 64 PRO HG3 H 1.975 0.020 2 608 64 64 PRO C C 176.710 0.300 1 609 64 64 PRO CA C 62.910 0.300 1 610 64 64 PRO CB C 32.250 0.300 1 611 64 64 PRO CD C 50.725 0.300 1 612 64 64 PRO CG C 27.326 0.300 1 613 65 65 TRP H H 8.542 0.020 1 614 65 65 TRP HA H 4.272 0.020 1 615 65 65 TRP HB2 H 3.312 0.020 2 616 65 65 TRP HB3 H 2.811 0.020 2 617 65 65 TRP C C 178.367 0.300 1 618 65 65 TRP CA C 58.435 0.300 1 619 65 65 TRP CB C 28.565 0.300 1 620 65 65 TRP N N 123.919 0.300 1 621 66 66 THR H H 8.635 0.020 1 622 66 66 THR HA H 4.612 0.020 1 623 66 66 THR HB H 4.774 0.020 1 624 66 66 THR HG2 H 1.285 0.020 1 625 66 66 THR C C 175.118 0.300 1 626 66 66 THR CA C 59.753 0.300 1 627 66 66 THR CB C 72.025 0.300 1 628 66 66 THR CG2 C 21.828 0.300 1 629 66 66 THR N N 115.938 0.300 1 630 67 67 ALA H H 8.828 0.020 1 631 67 67 ALA HA H 4.245 0.020 1 632 67 67 ALA HB H 1.482 0.020 1 633 67 67 ALA C C 181.272 0.300 1 634 67 67 ALA CA C 55.833 0.300 1 635 67 67 ALA CB C 17.909 0.300 1 636 67 67 ALA N N 123.301 0.300 1 637 68 68 GLU H H 8.707 0.020 1 638 68 68 GLU HA H 4.070 0.020 1 639 68 68 GLU HB2 H 2.090 0.020 2 640 68 68 GLU HB3 H 1.940 0.020 2 641 68 68 GLU HG2 H 2.410 0.020 2 642 68 68 GLU HG3 H 2.270 0.020 2 643 68 68 GLU C C 179.648 0.300 1 644 68 68 GLU CA C 60.197 0.300 1 645 68 68 GLU CB C 29.007 0.300 1 646 68 68 GLU CG C 36.954 0.300 1 647 68 68 GLU N N 118.353 0.300 1 648 69 69 GLU H H 7.955 0.020 1 649 69 69 GLU HA H 4.210 0.020 1 650 69 69 GLU HB2 H 2.580 0.020 2 651 69 69 GLU HB3 H 2.450 0.020 2 652 69 69 GLU HG2 H 2.450 0.020 2 653 69 69 GLU HG3 H 2.220 0.020 2 654 69 69 GLU C C 178.767 0.300 1 655 69 69 GLU CA C 60.029 0.300 1 656 69 69 GLU CB C 31.609 0.300 1 657 69 69 GLU CG C 38.514 0.300 1 658 69 69 GLU N N 123.143 0.300 1 659 70 70 ASP H H 8.598 0.020 1 660 70 70 ASP HA H 4.628 0.020 1 661 70 70 ASP HB2 H 2.757 0.020 2 662 70 70 ASP HB3 H 2.487 0.020 2 663 70 70 ASP C C 178.532 0.300 1 664 70 70 ASP CA C 57.780 0.300 1 665 70 70 ASP CB C 40.558 0.300 1 666 70 70 ASP N N 121.127 0.300 1 667 71 71 ALA H H 8.052 0.020 1 668 71 71 ALA HA H 4.201 0.020 1 669 71 71 ALA HB H 1.528 0.020 1 670 71 71 ALA C C 180.978 0.300 1 671 71 71 ALA CA C 55.239 0.300 1 672 71 71 ALA CB C 18.164 0.300 1 673 71 71 ALA N N 120.508 0.300 1 674 72 72 LEU H H 8.025 0.020 1 675 72 72 LEU HA H 4.223 0.020 1 676 72 72 LEU HB2 H 2.248 0.020 2 677 72 72 LEU HB3 H 1.563 0.020 2 678 72 72 LEU HD1 H 0.427 0.020 2 679 72 72 LEU HD2 H 0.811 0.020 2 680 72 72 LEU HG H 1.427 0.020 1 681 72 72 LEU C C 178.530 0.300 1 682 72 72 LEU CA C 57.186 0.300 1 683 72 72 LEU CB C 41.426 0.300 1 684 72 72 LEU CD1 C 25.112 0.300 2 685 72 72 LEU CD2 C 23.353 0.300 2 686 72 72 LEU CG C 26.561 0.300 1 687 72 72 LEU N N 121.728 0.300 1 688 73 73 LEU H H 8.895 0.020 1 689 73 73 LEU HA H 4.230 0.020 1 690 73 73 LEU HB2 H 2.490 0.020 2 691 73 73 LEU HB3 H 1.830 0.020 2 692 73 73 LEU HD1 H 0.814 0.020 2 693 73 73 LEU HD2 H 0.933 0.020 2 694 73 73 LEU HG H 1.557 0.020 1 695 73 73 LEU C C 177.793 0.300 1 696 73 73 LEU CA C 58.990 0.300 1 697 73 73 LEU CB C 41.134 0.300 1 698 73 73 LEU CD1 C 25.120 0.300 2 699 73 73 LEU CD2 C 21.605 0.300 2 700 73 73 LEU CG C 26.927 0.300 1 701 73 73 LEU N N 122.259 0.300 1 702 74 74 VAL H H 8.001 0.020 1 703 74 74 VAL HA H 3.546 0.020 1 704 74 74 VAL HB H 2.245 0.020 1 705 74 74 VAL HG1 H 0.997 0.020 2 706 74 74 VAL HG2 H 0.997 0.020 2 707 74 74 VAL C C 178.400 0.300 1 708 74 74 VAL CA C 67.206 0.300 1 709 74 74 VAL CB C 32.269 0.300 1 710 74 74 VAL CG1 C 21.570 0.300 2 711 74 74 VAL CG2 C 20.968 0.300 2 712 74 74 VAL N N 117.521 0.300 1 713 75 75 GLN H H 7.632 0.020 1 714 75 75 GLN HA H 4.002 0.020 1 715 75 75 GLN HB2 H 2.219 0.020 2 716 75 75 GLN HB3 H 2.219 0.020 2 717 75 75 GLN HG2 H 2.448 0.020 2 718 75 75 GLN HG3 H 2.448 0.020 2 719 75 75 GLN C C 179.352 0.300 1 720 75 75 GLN CA C 59.000 0.300 1 721 75 75 GLN CB C 28.533 0.300 1 722 75 75 GLN CG C 33.449 0.300 1 723 75 75 GLN N N 118.246 0.300 1 724 76 76 LYS H H 8.949 0.020 1 725 76 76 LYS HA H 4.150 0.020 1 726 76 76 LYS C C 179.081 0.300 1 727 76 76 LYS CA C 57.243 0.300 1 728 76 76 LYS CB C 32.171 0.300 1 729 76 76 LYS N N 118.103 0.300 1 730 77 77 ILE H H 8.662 0.020 1 731 77 77 ILE HA H 3.843 0.020 1 732 77 77 ILE HB H 1.409 0.020 1 733 77 77 ILE HD1 H -0.172 0.020 1 734 77 77 ILE HG12 H 0.825 0.020 2 735 77 77 ILE HG13 H 0.624 0.020 2 736 77 77 ILE HG2 H 0.206 0.020 1 737 77 77 ILE C C 179.673 0.300 1 738 77 77 ILE CA C 63.220 0.300 1 739 77 77 ILE CB C 36.570 0.300 1 740 77 77 ILE CD1 C 12.689 0.300 1 741 77 77 ILE CG1 C 28.123 0.300 1 742 77 77 ILE CG2 C 16.218 0.300 1 743 77 77 ILE N N 123.167 0.300 1 744 78 78 GLN H H 7.511 0.020 1 745 78 78 GLN HA H 3.873 0.020 1 746 78 78 GLN HB2 H 2.221 0.020 2 747 78 78 GLN HB3 H 2.031 0.020 2 748 78 78 GLN HG2 H 2.524 0.020 2 749 78 78 GLN HG3 H 2.307 0.020 2 750 78 78 GLN C C 177.186 0.300 1 751 78 78 GLN CA C 58.859 0.300 1 752 78 78 GLN CB C 28.043 0.300 1 753 78 78 GLN CG C 34.386 0.300 1 754 78 78 GLN N N 120.614 0.300 1 755 79 79 GLU H H 7.326 0.020 1 756 79 79 GLU HA H 3.850 0.020 1 757 79 79 GLU HB2 H 1.777 0.020 2 758 79 79 GLU HB3 H 1.777 0.020 2 759 79 79 GLU HG2 H 1.938 0.020 2 760 79 79 GLU HG3 H 1.938 0.020 2 761 79 79 GLU C C 177.793 0.300 1 762 79 79 GLU CA C 58.497 0.300 1 763 79 79 GLU CB C 31.154 0.300 1 764 79 79 GLU CG C 34.939 0.300 1 765 79 79 GLU N N 117.747 0.300 1 766 80 80 TYR H H 8.518 0.020 1 767 80 80 TYR HA H 4.416 0.020 1 768 80 80 TYR HB2 H 2.933 0.020 2 769 80 80 TYR HB3 H 2.636 0.020 2 770 80 80 TYR C C 177.235 0.300 1 771 80 80 TYR CA C 58.990 0.300 1 772 80 80 TYR CB C 40.569 0.300 1 773 80 80 TYR N N 114.155 0.300 1 774 81 81 GLY H H 8.354 0.020 1 775 81 81 GLY HA2 H 3.756 0.020 2 776 81 81 GLY HA3 H 3.451 0.020 2 777 81 81 GLY C C 173.066 0.300 1 778 81 81 GLY CA C 44.955 0.300 1 779 81 81 GLY N N 111.863 0.300 1 780 82 82 ARG H H 7.769 0.020 1 781 82 82 ARG HA H 4.442 0.020 1 782 82 82 ARG HB2 H 1.666 0.020 2 783 82 82 ARG HB3 H 1.666 0.020 2 784 82 82 ARG HD2 H 2.970 0.020 2 785 82 82 ARG HD3 H 2.970 0.020 2 786 82 82 ARG HG2 H 1.578 0.020 2 787 82 82 ARG HG3 H 1.578 0.020 2 788 82 82 ARG C C 175.791 0.300 1 789 82 82 ARG CA C 54.502 0.300 1 790 82 82 ARG CB C 28.093 0.300 1 791 82 82 ARG CD C 42.056 0.300 1 792 82 82 ARG CG C 29.329 0.300 1 793 82 82 ARG N N 120.781 0.300 1 794 83 83 GLN H H 6.794 0.020 1 795 83 83 GLN HA H 4.543 0.020 1 796 83 83 GLN C C 176.161 0.300 1 797 83 83 GLN CA C 53.476 0.300 1 798 83 83 GLN CB C 29.048 0.300 1 799 83 83 GLN N N 120.918 0.300 1 800 84 84 TRP H H 6.772 0.020 1 801 84 84 TRP HA H 4.233 0.020 1 802 84 84 TRP HB2 H 3.653 0.020 2 803 84 84 TRP HB3 H 3.181 0.020 2 804 84 84 TRP C C 178.194 0.300 1 805 84 84 TRP CA C 59.121 0.300 1 806 84 84 TRP CB C 29.242 0.300 1 807 84 84 TRP N N 123.688 0.300 1 808 85 85 ALA H H 9.605 0.020 1 809 85 85 ALA HA H 4.105 0.020 1 810 85 85 ALA HB H 1.525 0.020 1 811 85 85 ALA C C 180.419 0.300 1 812 85 85 ALA CA C 55.489 0.300 1 813 85 85 ALA CB C 18.104 0.300 1 814 85 85 ALA N N 120.982 0.300 1 815 86 86 ILE H H 7.436 0.020 1 816 86 86 ILE HA H 3.621 0.020 1 817 86 86 ILE HB H 1.652 0.020 1 818 86 86 ILE HD1 H 0.252 0.020 1 819 86 86 ILE HG12 H 1.413 0.020 2 820 86 86 ILE HG13 H 1.039 0.020 2 821 86 86 ILE HG2 H 0.655 0.020 1 822 86 86 ILE C C 178.285 0.300 1 823 86 86 ILE CA C 63.234 0.300 1 824 86 86 ILE CB C 37.155 0.300 1 825 86 86 ILE CD1 C 12.660 0.300 1 826 86 86 ILE CG1 C 28.495 0.300 1 827 86 86 ILE CG2 C 16.197 0.300 1 828 86 86 ILE N N 118.989 0.300 1 829 87 87 ILE H H 8.100 0.020 1 830 87 87 ILE HA H 3.623 0.020 1 831 87 87 ILE HB H 1.915 0.020 1 832 87 87 ILE HD1 H 0.744 0.020 1 833 87 87 ILE HG12 H 1.722 0.020 2 834 87 87 ILE HG13 H 1.655 0.020 2 835 87 87 ILE HG2 H 1.110 0.020 1 836 87 87 ILE C C 178.068 0.300 1 837 87 87 ILE CA C 65.556 0.300 1 838 87 87 ILE CB C 38.351 0.300 1 839 87 87 ILE CD1 C 13.833 0.300 1 840 87 87 ILE CG1 C 29.657 0.300 1 841 87 87 ILE CG2 C 19.348 0.300 1 842 87 87 ILE N N 119.848 0.300 1 843 88 88 ALA H H 8.736 0.020 1 844 88 88 ALA HA H 4.052 0.020 1 845 88 88 ALA HB H 1.445 0.020 1 846 88 88 ALA C C 179.184 0.300 1 847 88 88 ALA CA C 55.377 0.300 1 848 88 88 ALA CB C 17.747 0.300 1 849 88 88 ALA N N 119.439 0.300 1 850 89 89 LYS H H 7.339 0.020 1 851 89 89 LYS HA H 3.923 0.020 1 852 89 89 LYS HB2 H 1.480 0.020 2 853 89 89 LYS HB3 H 1.480 0.020 2 854 89 89 LYS HD2 H 1.689 0.020 2 855 89 89 LYS HD3 H 1.689 0.020 2 856 89 89 LYS HE2 H 2.830 0.020 2 857 89 89 LYS HE3 H 2.830 0.020 2 858 89 89 LYS HG2 H 1.375 0.020 2 859 89 89 LYS HG3 H 1.375 0.020 2 860 89 89 LYS C C 177.888 0.300 1 861 89 89 LYS CA C 58.292 0.300 1 862 89 89 LYS CB C 31.183 0.300 1 863 89 89 LYS CD C 28.597 0.300 1 864 89 89 LYS CE C 41.969 0.300 1 865 89 89 LYS CG C 24.251 0.300 1 866 89 89 LYS N N 116.263 0.300 1 867 90 90 PHE H H 8.106 0.020 1 868 90 90 PHE HA H 4.288 0.020 1 869 90 90 PHE HB2 H 2.898 0.020 2 870 90 90 PHE HB3 H 2.898 0.020 2 871 90 90 PHE C C 173.331 0.300 1 872 90 90 PHE CA C 58.371 0.300 1 873 90 90 PHE CB C 38.166 0.300 1 874 90 90 PHE N N 115.437 0.300 1 875 91 91 PHE H H 7.738 0.020 1 876 91 91 PHE HA H 4.729 0.020 1 877 91 91 PHE HB2 H 3.091 0.020 2 878 91 91 PHE HB3 H 3.091 0.020 2 879 91 91 PHE C C 171.602 0.300 1 880 91 91 PHE CA C 55.213 0.300 1 881 91 91 PHE CB C 40.292 0.300 1 882 91 91 PHE N N 118.504 0.300 1 883 92 92 PRO HA H 4.326 0.020 1 884 92 92 PRO HB2 H 2.347 0.020 2 885 92 92 PRO HB3 H 1.934 0.020 2 886 92 92 PRO HD2 H 3.707 0.020 2 887 92 92 PRO HD3 H 3.707 0.020 2 888 92 92 PRO HG2 H 2.196 0.020 2 889 92 92 PRO HG3 H 2.043 0.020 2 890 92 92 PRO C C 178.388 0.300 1 891 92 92 PRO CA C 64.041 0.300 1 892 92 92 PRO CB C 31.269 0.300 1 893 92 92 PRO CD C 50.569 0.300 1 894 92 92 PRO CG C 27.326 0.300 1 895 93 93 GLY H H 8.704 0.020 1 896 93 93 GLY HA2 H 4.106 0.020 1 897 93 93 GLY HA3 H 3.768 0.020 1 898 93 93 GLY C C 173.485 0.300 1 899 93 93 GLY CA C 44.885 0.300 1 900 93 93 GLY N N 112.404 0.300 1 901 94 94 ARG H H 8.096 0.020 1 902 94 94 ARG HA H 5.240 0.020 1 903 94 94 ARG HB2 H 2.143 0.020 2 904 94 94 ARG HB3 H 1.905 0.020 2 905 94 94 ARG HD2 H 2.762 0.020 2 906 94 94 ARG HD3 H 2.762 0.020 2 907 94 94 ARG HG2 H 1.467 0.020 2 908 94 94 ARG HG3 H 1.260 0.020 2 909 94 94 ARG C C 176.103 0.300 1 910 94 94 ARG CA C 52.410 0.300 1 911 94 94 ARG CB C 32.443 0.300 1 912 94 94 ARG CD C 43.195 0.300 1 913 94 94 ARG CG C 26.814 0.300 1 914 94 94 ARG N N 116.727 0.300 1 915 95 95 THR H H 9.832 0.020 1 916 95 95 THR HA H 4.860 0.020 1 917 95 95 THR HB H 4.532 0.020 1 918 95 95 THR HG2 H 1.086 0.020 1 919 95 95 THR C C 174.806 0.300 1 920 95 95 THR CA C 58.963 0.300 1 921 95 95 THR CB C 71.433 0.300 1 922 95 95 THR CG2 C 21.572 0.300 1 923 95 95 THR N N 113.659 0.300 1 924 96 96 ASP H H 9.195 0.020 1 925 96 96 ASP HA H 3.824 0.020 1 926 96 96 ASP HB2 H 2.698 0.020 2 927 96 96 ASP HB3 H 2.329 0.020 2 928 96 96 ASP C C 177.005 0.300 1 929 96 96 ASP CA C 57.235 0.300 1 930 96 96 ASP CB C 38.204 0.300 1 931 96 96 ASP N N 117.254 0.300 1 932 97 97 ILE H H 7.195 0.020 1 933 97 97 ILE HA H 3.327 0.020 1 934 97 97 ILE HB H 1.065 0.020 1 935 97 97 ILE HD1 H 0.416 0.020 1 936 97 97 ILE HG12 H 1.150 0.020 2 937 97 97 ILE HG13 H 1.109 0.020 2 938 97 97 ILE HG2 H 0.602 0.020 1 939 97 97 ILE C C 176.398 0.300 1 940 97 97 ILE CA C 62.121 0.300 1 941 97 97 ILE CB C 37.695 0.300 1 942 97 97 ILE CD1 C 10.627 0.300 1 943 97 97 ILE CG1 C 27.706 0.300 1 944 97 97 ILE CG2 C 17.440 0.300 1 945 97 97 ILE N N 119.902 0.300 1 946 98 98 HIS H H 6.419 0.020 1 947 98 98 HIS HA H 4.845 0.020 1 948 98 98 HIS HB2 H 3.741 0.020 2 949 98 98 HIS HB3 H 3.375 0.020 2 950 98 98 HIS C C 179.533 0.300 1 951 98 98 HIS CA C 58.305 0.300 1 952 98 98 HIS CB C 32.611 0.300 1 953 98 98 HIS N N 118.311 0.300 1 954 99 99 ILE H H 8.012 0.020 1 955 99 99 ILE HA H 3.621 0.020 1 956 99 99 ILE HB H 1.658 0.020 1 957 99 99 ILE HD1 H 0.669 0.020 1 958 99 99 ILE HG12 H 1.415 0.020 2 959 99 99 ILE HG13 H 1.036 0.020 2 960 99 99 ILE HG2 H 0.252 0.020 1 961 99 99 ILE C C 175.951 0.300 1 962 99 99 ILE CA C 63.735 0.300 1 963 99 99 ILE CB C 37.070 0.300 1 964 99 99 ILE CD1 C 12.034 0.300 1 965 99 99 ILE CG1 C 27.822 0.300 1 966 99 99 ILE CG2 C 16.205 0.300 1 967 99 99 ILE N N 118.643 0.300 1 968 100 100 LYS H H 7.626 0.020 1 969 100 100 LYS HA H 4.060 0.020 1 970 100 100 LYS HB2 H 1.890 0.020 2 971 100 100 LYS HB3 H 1.890 0.020 2 972 100 100 LYS HD2 H 1.834 0.020 2 973 100 100 LYS HD3 H 1.615 0.020 2 974 100 100 LYS HE2 H 3.211 0.020 2 975 100 100 LYS HE3 H 3.144 0.020 2 976 100 100 LYS C C 178.758 0.300 1 977 100 100 LYS CA C 58.687 0.300 1 978 100 100 LYS CB C 30.194 0.300 1 979 100 100 LYS CD C 27.371 0.300 1 980 100 100 LYS CE C 43.640 0.300 1 981 100 100 LYS CG C 24.697 0.300 1 982 100 100 LYS N N 120.557 0.300 1 983 101 101 ASN H H 7.382 0.020 1 984 101 101 ASN HA H 4.253 0.020 1 985 101 101 ASN HB2 H 2.818 0.020 2 986 101 101 ASN HB3 H 2.818 0.020 2 987 101 101 ASN C C 177.904 0.300 1 988 101 101 ASN CA C 55.413 0.300 1 989 101 101 ASN CB C 37.655 0.300 1 990 101 101 ASN N N 117.264 0.300 1 991 102 102 ARG H H 7.846 0.020 1 992 102 102 ARG HA H 3.653 0.020 1 993 102 102 ARG C C 177.933 0.300 1 994 102 102 ARG CA C 56.673 0.300 1 995 102 102 ARG CB C 29.081 0.300 1 996 102 102 ARG N N 121.670 0.300 1 997 103 103 TRP H H 8.105 0.020 1 998 103 103 TRP HA H 4.416 0.020 1 999 103 103 TRP HB2 H 3.189 0.020 2 1000 103 103 TRP HB3 H 3.048 0.020 2 1001 103 103 TRP C C 177.834 0.300 1 1002 103 103 TRP CA C 58.805 0.300 1 1003 103 103 TRP CB C 29.774 0.300 1 1004 103 103 TRP N N 117.972 0.300 1 1005 104 104 VAL H H 7.411 0.020 1 1006 104 104 VAL HA H 3.043 0.020 1 1007 104 104 VAL HB H 2.058 0.020 1 1008 104 104 VAL HG1 H 0.996 0.020 2 1009 104 104 VAL HG2 H 0.743 0.020 2 1010 104 104 VAL C C 177.806 0.300 1 1011 104 104 VAL CA C 67.283 0.300 1 1012 104 104 VAL CB C 31.067 0.300 1 1013 104 104 VAL CG1 C 21.602 0.300 2 1014 104 104 VAL CG2 C 21.117 0.300 2 1015 104 104 VAL N N 120.056 0.300 1 1016 105 105 THR H H 7.140 0.020 1 1017 105 105 THR HA H 3.981 0.020 1 1018 105 105 THR HB H 3.973 0.020 1 1019 105 105 THR HG2 H 1.151 0.020 1 1020 105 105 THR C C 177.822 0.300 1 1021 105 105 THR CA C 66.108 0.300 1 1022 105 105 THR CB C 69.088 0.300 1 1023 105 105 THR CG2 C 21.776 0.300 1 1024 105 105 THR N N 115.790 0.300 1 1025 106 106 ILE H H 8.440 0.020 1 1026 106 106 ILE HA H 3.621 0.020 1 1027 106 106 ILE HB H 1.658 0.020 1 1028 106 106 ILE HD1 H 0.669 0.020 1 1029 106 106 ILE HG12 H 1.415 0.020 2 1030 106 106 ILE HG13 H 1.036 0.020 2 1031 106 106 ILE HG2 H 0.252 0.020 1 1032 106 106 ILE C C 177.970 0.300 1 1033 106 106 ILE CA C 63.735 0.300 1 1034 106 106 ILE CB C 37.070 0.300 1 1035 106 106 ILE CD1 C 12.034 0.300 1 1036 106 106 ILE CG1 C 27.822 0.300 1 1037 106 106 ILE CG2 C 16.205 0.300 1 1038 106 106 ILE N N 118.811 0.300 1 1039 107 107 SER H H 8.105 0.020 1 1040 107 107 SER HA H 4.317 0.020 1 1041 107 107 SER HB2 H 4.357 0.020 2 1042 107 107 SER HB3 H 4.357 0.020 2 1043 107 107 SER CA C 61.623 0.300 1 1044 107 107 SER CB C 69.632 0.300 1 1045 107 107 SER N N 116.614 0.300 1 1046 108 108 ASN H H 7.260 0.020 1 1047 108 108 ASN HA H 4.443 0.020 1 1048 108 108 ASN HB2 H 2.808 0.020 2 1049 108 108 ASN HB3 H 2.719 0.020 2 1050 108 108 ASN C C 176.989 0.300 1 1051 108 108 ASN CA C 55.405 0.300 1 1052 108 108 ASN CB C 38.740 0.300 1 1053 108 108 ASN N N 119.557 0.300 1 1054 109 109 LYS H H 7.620 0.020 1 1055 109 109 LYS HA H 4.107 0.020 1 1056 109 109 LYS HB2 H 1.805 0.020 2 1057 109 109 LYS HB3 H 1.805 0.020 2 1058 109 109 LYS HD2 H 1.565 0.020 2 1059 109 109 LYS HD3 H 1.565 0.020 2 1060 109 109 LYS HE2 H 2.884 0.020 2 1061 109 109 LYS HE3 H 2.884 0.020 2 1062 109 109 LYS HG2 H 1.450 0.020 2 1063 109 109 LYS HG3 H 1.346 0.020 2 1064 109 109 LYS C C 177.908 0.300 1 1065 109 109 LYS CA C 57.937 0.300 1 1066 109 109 LYS CB C 32.629 0.300 1 1067 109 109 LYS CD C 28.708 0.300 1 1068 109 109 LYS CE C 41.969 0.300 1 1069 109 109 LYS CG C 24.586 0.300 1 1070 109 109 LYS N N 119.697 0.300 1 1071 110 110 LEU H H 7.874 0.020 1 1072 110 110 LEU HA H 4.196 0.020 1 1073 110 110 LEU HB2 H 1.614 0.020 2 1074 110 110 LEU HB3 H 1.475 0.020 2 1075 110 110 LEU HD1 H 0.813 0.020 2 1076 110 110 LEU HD2 H 0.757 0.020 2 1077 110 110 LEU HG H 1.554 0.020 1 1078 110 110 LEU C C 177.882 0.300 1 1079 110 110 LEU CA C 55.415 0.300 1 1080 110 110 LEU CB C 42.888 0.300 1 1081 110 110 LEU CD1 C 24.823 0.300 2 1082 110 110 LEU CD2 C 23.914 0.300 2 1083 110 110 LEU CG C 26.902 0.300 1 1084 110 110 LEU N N 117.810 0.300 1 1085 111 111 GLY H H 7.787 0.020 1 1086 111 111 GLY HA2 H 3.862 0.020 2 1087 111 111 GLY HA3 H 3.862 0.020 2 1088 111 111 GLY C C 174.363 0.300 1 1089 111 111 GLY CA C 45.869 0.300 1 1090 111 111 GLY N N 108.347 0.300 1 1091 112 112 ILE H H 7.766 0.020 1 1092 112 112 ILE HA H 4.309 0.020 1 1093 112 112 ILE HB H 1.746 0.020 1 1094 112 112 ILE HD1 H 0.835 0.020 1 1095 112 112 ILE HG12 H 1.426 0.020 2 1096 112 112 ILE HG13 H 1.426 0.020 2 1097 112 112 ILE HG2 H 0.963 0.020 1 1098 112 112 ILE C C 174.432 0.300 1 1099 112 112 ILE CA C 59.555 0.300 1 1100 112 112 ILE CB C 38.530 0.300 1 1101 112 112 ILE CD1 C 13.183 0.300 1 1102 112 112 ILE CG1 C 27.170 0.300 1 1103 112 112 ILE CG2 C 17.335 0.300 1 1104 112 112 ILE N N 120.570 0.300 1 1105 113 113 PRO HA H 4.405 0.020 1 1106 113 113 PRO HB2 H 2.293 0.020 2 1107 113 113 PRO HB3 H 1.888 0.020 2 1108 113 113 PRO HD2 H 3.917 0.020 2 1109 113 113 PRO HD3 H 3.681 0.020 2 1110 113 113 PRO HG2 H 2.229 0.020 2 1111 113 113 PRO HG3 H 2.011 0.020 2 1112 113 113 PRO C C 177.379 0.300 1 1113 113 113 PRO CA C 63.470 0.300 1 1114 113 113 PRO CB C 31.940 0.300 1 1115 113 113 PRO CD C 50.736 0.300 1 1116 113 113 PRO CG C 27.376 0.300 1 1117 114 114 GLN H H 8.458 0.020 1 1118 114 114 GLN HA H 4.353 0.020 1 1119 114 114 GLN HB2 H 1.998 0.020 2 1120 114 114 GLN HB3 H 1.998 0.020 2 1121 114 114 GLN HG2 H 2.377 0.020 2 1122 114 114 GLN HG3 H 2.377 0.020 2 1123 114 114 GLN C C 177.001 0.300 1 1124 114 114 GLN CA C 56.632 0.300 1 1125 114 114 GLN CB C 29.265 0.300 1 1126 114 114 GLN CG C 34.072 0.300 1 1127 114 114 GLN N N 120.339 0.300 1 1128 115 115 THR H H 7.917 0.020 1 1129 115 115 THR HA H 4.296 0.020 1 1130 115 115 THR HB H 4.334 0.020 1 1131 115 115 THR HG2 H 1.199 0.020 1 1132 115 115 THR C C 175.065 0.300 1 1133 115 115 THR CA C 61.930 0.300 1 1134 115 115 THR CB C 69.672 0.300 1 1135 115 115 THR CG2 C 21.554 0.300 1 1136 115 115 THR N N 113.688 0.300 1 1137 116 116 GLN H H 8.377 0.020 1 1138 116 116 GLN HA H 4.152 0.020 1 1139 116 116 GLN HB2 H 2.014 0.020 2 1140 116 116 GLN HB3 H 2.014 0.020 2 1141 116 116 GLN HG2 H 2.309 0.020 2 1142 116 116 GLN HG3 H 2.309 0.020 2 1143 116 116 GLN C C 176.854 0.300 1 1144 116 116 GLN CA C 57.181 0.300 1 1145 116 116 GLN CB C 28.684 0.300 1 1146 116 116 GLN CG C 34.011 0.300 1 1147 116 116 GLN N N 121.544 0.300 1 1148 117 117 GLN H H 8.238 0.020 1 1149 117 117 GLN HA H 4.170 0.020 1 1150 117 117 GLN HB2 H 2.024 0.020 2 1151 117 117 GLN HB3 H 1.970 0.020 2 1152 117 117 GLN HG2 H 2.324 0.020 2 1153 117 117 GLN HG3 H 2.324 0.020 2 1154 117 117 GLN C C 176.741 0.300 1 1155 117 117 GLN CA C 57.058 0.300 1 1156 117 117 GLN CB C 28.828 0.300 1 1157 117 117 GLN CG C 33.723 0.300 1 1158 117 117 GLN N N 119.793 0.300 1 1159 118 118 MET H H 8.047 0.020 1 1160 118 118 MET HA H 4.256 0.020 1 1161 118 118 MET HB2 H 2.042 0.020 2 1162 118 118 MET HB3 H 2.042 0.020 2 1163 118 118 MET HG2 H 2.565 0.020 2 1164 118 118 MET HG3 H 2.565 0.020 2 1165 118 118 MET C C 176.509 0.300 1 1166 118 118 MET CA C 56.436 0.300 1 1167 118 118 MET CB C 32.711 0.300 1 1168 118 118 MET CG C 32.202 0.300 1 1169 118 118 MET N N 119.757 0.300 1 1170 119 119 LEU H H 7.906 0.020 1 1171 119 119 LEU HA H 4.251 0.020 1 1172 119 119 LEU HB2 H 1.476 0.020 2 1173 119 119 LEU HB3 H 1.476 0.020 2 1174 119 119 LEU HD1 H 0.813 0.020 2 1175 119 119 LEU HD2 H 0.762 0.020 2 1176 119 119 LEU HG H 1.555 0.020 1 1177 119 119 LEU C C 177.411 0.300 1 1178 119 119 LEU CA C 55.653 0.300 1 1179 119 119 LEU CB C 42.393 0.300 1 1180 119 119 LEU CD1 C 23.914 0.300 2 1181 119 119 LEU CD2 C 23.320 0.300 2 1182 119 119 LEU CG C 26.893 0.300 1 1183 119 119 LEU N N 121.395 0.300 1 1184 120 120 GLU H H 7.991 0.020 1 1185 120 120 GLU HA H 4.103 0.020 1 1186 120 120 GLU HB2 H 1.846 0.020 2 1187 120 120 GLU HB3 H 1.846 0.020 2 1188 120 120 GLU HG2 H 2.169 0.020 2 1189 120 120 GLU HG3 H 2.100 0.020 2 1190 120 120 GLU C C 176.279 0.300 1 1191 120 120 GLU CA C 56.634 0.300 1 1192 120 120 GLU CB C 30.070 0.300 1 1193 120 120 GLU CG C 35.805 0.300 1 1194 120 120 GLU N N 120.398 0.300 1 1195 121 121 HIS H H 8.231 0.020 1 1196 121 121 HIS C C 174.458 0.300 1 1197 121 121 HIS CA C 55.410 0.300 1 1198 121 121 HIS CB C 29.125 0.300 1 1199 121 121 HIS N N 119.182 0.300 1 stop_ save_