data_26026 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the PriC DNA replication restart protein ; _BMRB_accession_number 26026 _BMRB_flat_file_name bmr26026.str _Entry_type original _Submission_date 2016-04-07 _Accession_date 2016-04-07 _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 Cornilescu Claudia C. . 2 Cornilescu Gabriel . . 3 Wessel Sarah R. . 4 Keck James L. . 5 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 634 "13C chemical shifts" 568 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-12 update BMRB 'update entry citation' 2016-07-05 original author 'original release' stop_ _Original_release_date 2016-07-05 save_ ############################# # Citation for this entry # ############################# save_citations_PriC _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and Function of the PriC DNA Replication Restart Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27382050 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wessel Sarah R. . 2 Cornilescu Claudia C. . 3 Cornilescu Gabriel . . 4 Hu Kaifeng . . 5 Sandler Steven J. . 6 Markley John L. . 7 Keck James L. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 35 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18384 _Page_last 18396 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PriC DNA replication restart protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PriC DNA replication restart protein' $PriC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PriC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PriC _Molecular_mass 19733.648 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; MRTPLLLQSLKTRVAALHTL IGPLASQRHFSPRFDRQLFA CRGARLGDYLTEAEESLTHL EAAVNQGDATRVAWLAERLA AQIEALQREAATATLRRHEN AHLPGGRLHARLAEYQEYER RLLAMKNEREQRYAERHDPQ LAREITALDERLTRCRTAIA RTERALERITR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 THR 4 PRO 5 LEU 6 LEU 7 LEU 8 GLN 9 SER 10 LEU 11 LYS 12 THR 13 ARG 14 VAL 15 ALA 16 ALA 17 LEU 18 HIS 19 THR 20 LEU 21 ILE 22 GLY 23 PRO 24 LEU 25 ALA 26 SER 27 GLN 28 ARG 29 HIS 30 PHE 31 SER 32 PRO 33 ARG 34 PHE 35 ASP 36 ARG 37 GLN 38 LEU 39 PHE 40 ALA 41 CYS 42 ARG 43 GLY 44 ALA 45 ARG 46 LEU 47 GLY 48 ASP 49 TYR 50 LEU 51 THR 52 GLU 53 ALA 54 GLU 55 GLU 56 SER 57 LEU 58 THR 59 HIS 60 LEU 61 GLU 62 ALA 63 ALA 64 VAL 65 ASN 66 GLN 67 GLY 68 ASP 69 ALA 70 THR 71 ARG 72 VAL 73 ALA 74 TRP 75 LEU 76 ALA 77 GLU 78 ARG 79 LEU 80 ALA 81 ALA 82 GLN 83 ILE 84 GLU 85 ALA 86 LEU 87 GLN 88 ARG 89 GLU 90 ALA 91 ALA 92 THR 93 ALA 94 THR 95 LEU 96 ARG 97 ARG 98 HIS 99 GLU 100 ASN 101 ALA 102 HIS 103 LEU 104 PRO 105 GLY 106 GLY 107 ARG 108 LEU 109 HIS 110 ALA 111 ARG 112 LEU 113 ALA 114 GLU 115 TYR 116 GLN 117 GLU 118 TYR 119 GLU 120 ARG 121 ARG 122 LEU 123 LEU 124 ALA 125 MET 126 LYS 127 ASN 128 GLU 129 ARG 130 GLU 131 GLN 132 ARG 133 TYR 134 ALA 135 GLU 136 ARG 137 HIS 138 ASP 139 PRO 140 GLN 141 LEU 142 ALA 143 ARG 144 GLU 145 ILE 146 THR 147 ALA 148 LEU 149 ASP 150 GLU 151 ARG 152 LEU 153 THR 154 ARG 155 CYS 156 ARG 157 THR 158 ALA 159 ILE 160 ALA 161 ARG 162 THR 163 GLU 164 ARG 165 ALA 166 LEU 167 GLU 168 ARG 169 ILE 170 THR 171 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PriC 'E. coli' 562 Bacteria . Escherichia coli 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 $PriC 'recombinant technology' . Escherichia coli . 'T7-inducible overexpression' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_PriC _Saveframe_category sample _Sample_type solution _Details ; 20 mM MES, pH 6.5, 5 mM DTT, 1 mM EDTA, 1x EDTA-free protease inhibitor cocktail (Roche), 5% D2O, isotropic NMR data at 37 C. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PriC 0.5 mM 0.4 0.6 '[U-13C; U-15N]' MES 20 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' EDTA 1 mM . . 'natural abundance' stop_ save_ save_aligned-PriC _Saveframe_category sample _Sample_type solution _Details '3.1:1 DMPC: DHPC (1,2-Dimyristoyl-sn-Glycero-3-Phosphocholine:1,2-Dihexanoyl-sn-Glycero-3-Phosphocholine bicelles) at 37 C.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PriC 0.5 mM 0.4 0.6 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'dihedral angle prediction' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_Bruker700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_Varian600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_Varian800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_Bruker750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_Varian900 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _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_PriC save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_PriC save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_PriC save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_PriC save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_PriC save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_PriC save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_PriC save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_PriC save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_PriC save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_PriC save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_PriC save_ save_(HB)CB(CGCD)HD_12 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $sample_PriC save_ save_(HB)CB(CGCDCE)HE_13 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label $sample_PriC save_ save_2D_1H-13C_HSQC_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_PriC save_ save_2D_ARTSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D ARTSY' _Sample_label $sample_PriC save_ save_2D_ARTSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D ARTSY' _Sample_label $aligned-PriC save_ save_3D_HCA(CO)N_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCA(CO)N' _Sample_label $sample_PriC save_ save_3D_HCA(CO)N_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCA(CO)N' _Sample_label $aligned-PriC save_ ####################### # Sample conditions # ####################### save_MES _Saveframe_category sample_conditions _Details ; 20 mM MES, pH 6.5, 5 mM DTT, 1 mM EDTA, 1x EDTA-free protease inhibitor cocktail (Roche), 5% D2O were used to acquire isotropic NMR data at 37 C. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 273 . 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 water C 13 protons ppm 4.658 internal indirect . . . 0.251449530 water H 1 protons ppm 4.658 internal direct . . . 1.000000000 water N 15 protons ppm 4.658 internal 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' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' (HB)CB(CGCD)HD (HB)CB(CGCDCE)HE '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $sample_PriC stop_ _Sample_conditions_label $MES _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PriC DNA replication restart protein' _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 PRO HA H 4.352 . . 2 4 4 PRO HB2 H 1.825 . . 3 4 4 PRO HB3 H 2.343 . . 4 4 4 PRO HG3 H 1.996 . . 5 4 4 PRO HD2 H 3.59 . . 6 4 4 PRO HD3 H 3.882 . . 7 4 4 PRO C C 177.939 . . 8 4 4 PRO CA C 64.407 . . 9 4 4 PRO CB C 31.729 . . 10 4 4 PRO CG C 27.929 . . 11 4 4 PRO CD C 50.987 . . 12 5 5 LEU H H 7.873 . . 13 5 5 LEU CA C 56.929 . . 14 5 5 LEU CB C 41.653 . . 15 5 5 LEU N N 121.414 . . 16 6 6 LEU HB2 H 1.577 . . 17 6 6 LEU HB3 H 1.682 . . 18 6 6 LEU HD1 H 0.803 . . 19 6 6 LEU C C 178.392 . . 20 6 6 LEU CA C 57.486 . . 21 6 6 LEU CB C 42.246 . . 22 6 6 LEU CG C 27.048 . . 23 6 6 LEU CD1 C 25.020 . . 24 6 6 LEU CD2 C 23.842 . . 25 7 7 LEU H H 7.899 . . 26 7 7 LEU HA H 3.943 . . 27 7 7 LEU HB2 H 1.468 . . 28 7 7 LEU HB3 H 1.817 . . 29 7 7 LEU HD1 H 1.07 . . 30 7 7 LEU HD2 H 0.876 . . 31 7 7 LEU C C 178.010 . . 32 7 7 LEU CA C 58.239 . . 33 7 7 LEU CB C 41.849 . . 34 7 7 LEU CG C 27.055 . . 35 7 7 LEU CD1 C 25.312 . . 36 7 7 LEU CD2 C 23.4 . . 37 7 7 LEU N N 118.853 . . 38 8 8 GLN H H 8.011 . . 39 8 8 GLN HA H 3.942 . . 40 8 8 GLN HB3 H 2.098 . . 41 8 8 GLN HG3 H 2.380 . . 42 8 8 GLN C C 178.603 . . 43 8 8 GLN CA C 59.298 . . 44 8 8 GLN CB C 28.369 . . 45 8 8 GLN CG C 33.694 . . 46 8 8 GLN N N 117.538 . . 47 9 9 SER H H 8.100 . . 48 9 9 SER HA H 4.232 . . 49 9 9 SER HB3 H 3.976 . . 50 9 9 SER C C 173.615 . . 51 9 9 SER CA C 61.259 . . 52 9 9 SER CB C 62.889 . . 53 9 9 SER N N 114.297 . . 54 10 10 LEU H H 7.996 . . 55 10 10 LEU C C 177.475 . . 56 10 10 LEU CA C 58.483 . . 57 10 10 LEU CB C 41.438 . . 58 10 10 LEU CG C 27.777 . . 59 10 10 LEU CD1 C 26.205 . . 60 10 10 LEU N N 121.752 . . 61 11 11 LYS H H 8.621 . . 62 11 11 LYS HA H 3.913 . . 63 11 11 LYS HB3 H 1.912 . . 64 11 11 LYS HG3 H 1.602 . . 65 11 11 LYS HD3 H 1.413 . . 66 11 11 LYS HE2 H 2.80 . . 67 11 11 LYS HE3 H 2.833 . . 68 11 11 LYS C C 179.915 . . 69 11 11 LYS CA C 60.776 . . 70 11 11 LYS CB C 32.481 . . 71 11 11 LYS CG C 29.840 . . 72 11 11 LYS CD C 26.148 . . 73 11 11 LYS CE C 41.645 . . 74 11 11 LYS N N 119.475 . . 75 12 12 THR H H 8.068 . . 76 12 12 THR HA H 3.981 . . 77 12 12 THR HB H 4.250 . . 78 12 12 THR HG2 H 1.281 . . 79 12 12 THR C C 177.131 . . 80 12 12 THR CA C 66.418 . . 81 12 12 THR CB C 68.863 . . 82 12 12 THR CG2 C 21.757 . . 83 12 12 THR N N 115.770 . . 84 13 13 ARG H H 7.998 . . 85 13 13 ARG HA H 4.128 . . 86 13 13 ARG HB3 H 1.968 . . 87 13 13 ARG HG3 H 1.691 . . 88 13 13 ARG C C 179.627 . . 89 13 13 ARG CA C 59.681 . . 90 13 13 ARG CB C 31.366 . . 91 13 13 ARG CD C 43.947 . . 92 13 13 ARG N N 122.076 . . 93 14 14 VAL H H 8.534 . . 94 14 14 VAL HA H 3.579 . . 95 14 14 VAL HB H 2.129 . . 96 14 14 VAL HG1 H 1.06 . . 97 14 14 VAL HG2 H 0.97 . . 98 14 14 VAL C C 177.399 . . 99 14 14 VAL CA C 67.328 . . 100 14 14 VAL CB C 31.290 . . 101 14 14 VAL CG1 C 24.914 . . 102 14 14 VAL CG2 C 22.314 . . 103 14 14 VAL N N 120.800 . . 104 15 15 ALA H H 7.970 . . 105 15 15 ALA HA H 4.191 . . 106 15 15 ALA HB H 1.524 . . 107 15 15 ALA C C 179.766 . . 108 15 15 ALA CA C 55.406 . . 109 15 15 ALA CB C 17.798 . . 110 15 15 ALA N N 122.924 . . 111 16 16 ALA H H 8.038 . . 112 16 16 ALA HA H 3.910 . . 113 16 16 ALA HB H 1.513 . . 114 16 16 ALA C C 177.533 . . 115 16 16 ALA CA C 54.718 . . 116 16 16 ALA CB C 18.066 . . 117 16 16 ALA N N 121.404 . . 118 17 17 LEU H H 7.951 . . 119 17 17 LEU HA H 4.064 . . 120 17 17 LEU HB2 H 1.631 . . 121 17 17 LEU HB3 H 2.016 . . 122 17 17 LEU HG H 1.853 . . 123 17 17 LEU HD1 H 0.910 . . 124 17 17 LEU C C 178.705 . . 125 17 17 LEU CA C 57.493 . . 126 17 17 LEU CB C 42.607 . . 127 17 17 LEU CD1 C 25.078 . . 128 17 17 LEU N N 120.033 . . 129 18 18 HIS H H 8.339 . . 130 18 18 HIS HA H 4.014 . . 131 18 18 HIS HB2 H 3.34 . . 132 18 18 HIS HB3 H 3.38 . . 133 18 18 HIS HD2 H 7.22 . . 134 18 18 HIS C C 177.934 . . 135 18 18 HIS CA C 60.325 . . 136 18 18 HIS CB C 28.703 . . 137 18 18 HIS N N 118.009 . . 138 19 19 THR H H 7.667 . . 139 19 19 THR HA H 4.032 . . 140 19 19 THR HB H 4.245 . . 141 19 19 THR HG2 H 1.253 . . 142 19 19 THR C C 175.507 . . 143 19 19 THR CA C 65.558 . . 144 19 19 THR CB C 68.853 . . 145 19 19 THR CG2 C 22.268 . . 146 19 19 THR N N 114.200 . . 147 20 20 LEU H H 7.550 . . 148 20 20 LEU HA H 4.135 . . 149 20 20 LEU HB3 H 1.667 . . 150 20 20 LEU HD1 H 0.856 . . 151 20 20 LEU C C 177.597 . . 152 20 20 LEU CA C 57.326 . . 153 20 20 LEU CB C 43.485 . . 154 20 20 LEU CG C 26.770 . . 155 20 20 LEU CD1 C 24.551 . . 156 20 20 LEU N N 121.500 . . 157 21 21 ILE H H 8.381 . . 158 21 21 ILE HA H 3.837 . . 159 21 21 ILE HB H 1.901 . . 160 21 21 ILE HG12 H 1.182 . . 161 21 21 ILE HG13 H 1.421 . . 162 21 21 ILE HG2 H 0.69 . . 163 21 21 ILE HD1 H 0.702 . . 164 21 21 ILE C C 176.555 . . 165 21 21 ILE CA C 61.401 . . 166 21 21 ILE CB C 36.924 . . 167 21 21 ILE CG1 C 29.521 . . 168 21 21 ILE CG2 C 17.861 . . 169 21 21 ILE CD1 C 13.105 . . 170 21 21 ILE N N 114.410 . . 171 22 22 GLY H H 7.671 . . 172 22 22 GLY HA2 H 4.10 . . 173 22 22 GLY HA3 H 3.78 . . 174 22 22 GLY CA C 48.174 . . 175 22 22 GLY N N 108.631 . . 176 23 23 PRO HA H 4.427 . . 177 23 23 PRO HB2 H 1.778 . . 178 23 23 PRO HB3 H 2.385 . . 179 23 23 PRO HD2 H 3.53 . . 180 23 23 PRO HD3 H 3.56 . . 181 23 23 PRO C C 177.167 . . 182 23 23 PRO CA C 64.692 . . 183 23 23 PRO CB C 32.179 . . 184 23 23 PRO CD C 51.180 . . 185 24 24 LEU H H 7.894 . . 186 24 24 LEU HA H 4.428 . . 187 24 24 LEU HB3 H 1.643 . . 188 24 24 LEU HD2 H 0.811 . . 189 24 24 LEU C C 178.065 . . 190 24 24 LEU CA C 54.289 . . 191 24 24 LEU CB C 42.787 . . 192 24 24 LEU CD1 C 25.815 . . 193 24 24 LEU CD2 C 22.571 . . 194 24 24 LEU N N 117.331 . . 195 25 25 ALA H H 7.586 . . 196 25 25 ALA HA H 3.642 . . 197 25 25 ALA HB H 1.440 . . 198 25 25 ALA C C 178.615 . . 199 25 25 ALA CA C 55.294 . . 200 25 25 ALA CB C 19.113 . . 201 25 25 ALA N N 121.648 . . 202 26 26 SER H H 8.090 . . 203 26 26 SER HA H 4.204 . . 204 26 26 SER HB2 H 3.85 . . 205 26 26 SER HB3 H 3.93 . . 206 26 26 SER C C 174.433 . . 207 26 26 SER CA C 58.969 . . 208 26 26 SER CB C 63.568 . . 209 26 26 SER N N 109.404 . . 210 27 27 GLN H H 7.889 . . 211 27 27 GLN HB3 H 2.08 . . 212 27 27 GLN HG3 H 2.24 . . 213 27 27 GLN CA C 57.101 . . 214 27 27 GLN CB C 29.625 . . 215 27 27 GLN N N 122.159 . . 216 30 30 PHE HA H 4.581 . . 217 30 30 PHE HB2 H 2.64 . . 218 30 30 PHE HB3 H 2.72 . . 219 30 30 PHE HD2 H 6.76 . . 220 30 30 PHE HE2 H 6.90 . . 221 30 30 PHE C C 175.397 . . 222 30 30 PHE CA C 55.975 . . 223 30 30 PHE CB C 41.477 . . 224 31 31 SER H H 10.332 . . 225 31 31 SER CA C 58.044 . . 226 31 31 SER CB C 62.334 . . 227 31 31 SER N N 122.483 . . 228 32 32 PRO HA H 4.427 . . 229 32 32 PRO HB2 H 1.784 . . 230 32 32 PRO HB3 H 2.297 . . 231 32 32 PRO HG3 H 1.981 . . 232 32 32 PRO HD3 H 3.771 . . 233 32 32 PRO C C 177.165 . . 234 32 32 PRO CA C 64.391 . . 235 32 32 PRO CB C 32.073 . . 236 32 32 PRO CG C 27.637 . . 237 32 32 PRO CD C 50.647 . . 238 33 33 ARG H H 7.627 . . 239 33 33 ARG HA H 4.298 . . 240 33 33 ARG HB2 H 1.650 . . 241 33 33 ARG HB3 H 1.921 . . 242 33 33 ARG HG3 H 1.601 . . 243 33 33 ARG HD3 H 3.136 . . 244 33 33 ARG C C 175.978 . . 245 33 33 ARG CA C 55.219 . . 246 33 33 ARG CB C 30.192 . . 247 33 33 ARG CG C 27.114 . . 248 33 33 ARG CD C 43.128 . . 249 33 33 ARG N N 114.830 . . 250 34 34 PHE H H 7.435 . . 251 34 34 PHE HA H 4.373 . . 252 34 34 PHE HB2 H 2.832 . . 253 34 34 PHE HB3 H 3.275 . . 254 34 34 PHE HD2 H 6.79 . . 255 34 34 PHE HE2 H 6.17 . . 256 34 34 PHE C C 175.522 . . 257 34 34 PHE CA C 58.188 . . 258 34 34 PHE CB C 39.252 . . 259 34 34 PHE N N 121.713 . . 260 35 35 ASP H H 7.716 . . 261 35 35 ASP HA H 4.542 . . 262 35 35 ASP HB2 H 2.319 . . 263 35 35 ASP HB3 H 2.67 . . 264 35 35 ASP C C 175.542 . . 265 35 35 ASP CA C 53.301 . . 266 35 35 ASP CB C 39.897 . . 267 35 35 ASP N N 128.517 . . 268 36 36 ARG H H 7.986 . . 269 36 36 ARG HA H 3.591 . . 270 36 36 ARG HB2 H 1.693 . . 271 36 36 ARG HB3 H 1.819 . . 272 36 36 ARG HG3 H 1.484 . . 273 36 36 ARG HD3 H 3.090 . . 274 36 36 ARG C C 177.713 . . 275 36 36 ARG CA C 58.393 . . 276 36 36 ARG CB C 30.127 . . 277 36 36 ARG CG C 27.872 . . 278 36 36 ARG CD C 43.719 . . 279 36 36 ARG N N 123.319 . . 280 37 37 GLN H H 8.404 . . 281 37 37 GLN HA H 4.216 . . 282 37 37 GLN HB3 H 2.107 . . 283 37 37 GLN HG2 H 2.263 . . 284 37 37 GLN HG3 H 2.406 . . 285 37 37 GLN C C 176.758 . . 286 37 37 GLN CA C 57.449 . . 287 37 37 GLN CB C 27.855 . . 288 37 37 GLN CG C 34.335 . . 289 37 37 GLN N N 115.995 . . 290 38 38 LEU H H 7.200 . . 291 38 38 LEU HA H 3.877 . . 292 38 38 LEU HB2 H 0.973 . . 293 38 38 LEU HB3 H 1.367 . . 294 38 38 LEU HD1 H 0.627 . . 295 38 38 LEU C C 174.588 . . 296 38 38 LEU CA C 55.229 . . 297 38 38 LEU CB C 42.962 . . 298 38 38 LEU CD1 C 26.107 . . 299 38 38 LEU CD2 C 22.354 . . 300 38 38 LEU N N 118.578 . . 301 39 39 PHE H H 7.643 . . 302 39 39 PHE HA H 4.654 . . 303 39 39 PHE HB2 H 2.826 . . 304 39 39 PHE HB3 H 3.563 . . 305 39 39 PHE HD2 H 7.14 . . 306 39 39 PHE C C 174.819 . . 307 39 39 PHE CA C 56.468 . . 308 39 39 PHE CB C 42.167 . . 309 39 39 PHE N N 116.297 . . 310 40 40 ALA H H 11.522 . . 311 40 40 ALA HA H 4.362 . . 312 40 40 ALA HB H 1.376 . . 313 40 40 ALA C C 179.902 . . 314 40 40 ALA CA C 53.050 . . 315 40 40 ALA CB C 19.621 . . 316 40 40 ALA N N 129.265 . . 317 41 41 CYS H H 9.485 . . 318 41 41 CYS HA H 4.157 . . 319 41 41 CYS HB2 H 2.749 . . 320 41 41 CYS HB3 H 3.002 . . 321 41 41 CYS C C 174.235 . . 322 41 41 CYS CA C 58.841 . . 323 41 41 CYS CB C 28.192 . . 324 41 41 CYS N N 119.133 . . 325 42 42 ARG H H 8.436 . . 326 42 42 ARG HA H 4.452 . . 327 42 42 ARG HB2 H 1.684 . . 328 42 42 ARG HB3 H 1.893 . . 329 42 42 ARG HG3 H 1.644 . . 330 42 42 ARG HD3 H 3.176 . . 331 42 42 ARG C C 177.110 . . 332 42 42 ARG CA C 55.230 . . 333 42 42 ARG CB C 29.559 . . 334 42 42 ARG CG C 26.766 . . 335 42 42 ARG CD C 43.351 . . 336 42 42 ARG N N 122.708 . . 337 43 43 GLY H H 7.740 . . 338 43 43 GLY HA2 H 3.523 . . 339 43 43 GLY HA3 H 3.909 . . 340 43 43 GLY C C 173.531 . . 341 43 43 GLY CA C 45.512 . . 342 43 43 GLY N N 108.436 . . 343 44 44 ALA H H 8.401 . . 344 44 44 ALA HA H 4.518 . . 345 44 44 ALA HB H 1.363 . . 346 44 44 ALA C C 176.735 . . 347 44 44 ALA CA C 52.442 . . 348 44 44 ALA CB C 20.752 . . 349 44 44 ALA N N 122.462 . . 350 45 45 ARG H H 8.016 . . 351 45 45 ARG HA H 4.981 . . 352 45 45 ARG HB2 H 1.714 . . 353 45 45 ARG HB3 H 2.010 . . 354 45 45 ARG HG2 H 1.43 . . 355 45 45 ARG HG3 H 1.52 . . 356 45 45 ARG HD2 H 3.121 . . 357 45 45 ARG HD3 H 3.14 . . 358 45 45 ARG C C 177.959 . . 359 45 45 ARG CA C 53.884 . . 360 45 45 ARG CB C 32.076 . . 361 45 45 ARG CG C 26.804 . . 362 45 45 ARG CD C 43.807 . . 363 45 45 ARG N N 114.663 . . 364 46 46 LEU H H 8.934 . . 365 46 46 LEU HA H 4.051 . . 366 46 46 LEU HB2 H 1.445 . . 367 46 46 LEU HB3 H 1.659 . . 368 46 46 LEU HD1 H 0.611 . . 369 46 46 LEU C C 179.163 . . 370 46 46 LEU CA C 58.823 . . 371 46 46 LEU CB C 41.630 . . 372 46 46 LEU CG C 26.901 . . 373 46 46 LEU CD1 C 24.939 . . 374 46 46 LEU N N 124.360 . . 375 47 47 GLY H H 9.370 . . 376 47 47 GLY HA2 H 3.616 . . 377 47 47 GLY HA3 H 3.936 . . 378 47 47 GLY C C 175.652 . . 379 47 47 GLY CA C 46.941 . . 380 47 47 GLY N N 103.202 . . 381 48 48 ASP H H 7.664 . . 382 48 48 ASP HA H 4.353 . . 383 48 48 ASP HB2 H 2.49 . . 384 48 48 ASP HB3 H 2.54 . . 385 48 48 ASP C C 178.160 . . 386 48 48 ASP CA C 57.534 . . 387 48 48 ASP CB C 40.579 . . 388 48 48 ASP N N 121.215 . . 389 49 49 TYR H H 7.226 . . 390 49 49 TYR HA H 3.953 . . 391 49 49 TYR HB2 H 2.176 . . 392 49 49 TYR HB3 H 2.681 . . 393 49 49 TYR HD1 H 6.42 . . 394 49 49 TYR HE1 H 6.75 . . 395 49 49 TYR C C 177.558 . . 396 49 49 TYR CA C 60.713 . . 397 49 49 TYR CB C 37.613 . . 398 49 49 TYR CD1 C 118.6 . . 399 49 49 TYR CD2 C 118.6 . . 400 49 49 TYR N N 120.041 . . 401 50 50 LEU H H 7.456 . . 402 50 50 LEU HA H 4.077 . . 403 50 50 LEU HB2 H 1.216 . . 404 50 50 LEU HB3 H 2.026 . . 405 50 50 LEU HD1 H 0.765 . . 406 50 50 LEU HD2 H 0.577 . . 407 50 50 LEU C C 177.830 . . 408 50 50 LEU CA C 58.139 . . 409 50 50 LEU CB C 41.229 . . 410 50 50 LEU CD1 C 23.177 . . 411 50 50 LEU N N 120.180 . . 412 51 51 THR H H 8.048 . . 413 51 51 THR HA H 3.961 . . 414 51 51 THR HB H 4.281 . . 415 51 51 THR HG2 H 1.238 . . 416 51 51 THR C C 176.085 . . 417 51 51 THR CA C 66.997 . . 418 51 51 THR CB C 68.571 . . 419 51 51 THR CG2 C 22.271 . . 420 51 51 THR N N 115.985 . . 421 52 52 GLU H H 7.467 . . 422 52 52 GLU HA H 4.183 . . 423 52 52 GLU HB2 H 1.322 . . 424 52 52 GLU HB3 H 2.351 . . 425 52 52 GLU HG2 H 2.329 . . 426 52 52 GLU HG3 H 2.530 . . 427 52 52 GLU C C 178.558 . . 428 52 52 GLU CA C 60.443 . . 429 52 52 GLU CB C 28.770 . . 430 52 52 GLU CG C 36.759 . . 431 52 52 GLU N N 121.979 . . 432 53 53 ALA H H 8.063 . . 433 53 53 ALA HA H 4.332 . . 434 53 53 ALA HB H 1.437 . . 435 53 53 ALA C C 179.511 . . 436 53 53 ALA CA C 55.429 . . 437 53 53 ALA CB C 17.029 . . 438 53 53 ALA N N 123.055 . . 439 54 54 GLU H H 8.396 . . 440 54 54 GLU HA H 3.898 . . 441 54 54 GLU HB2 H 2.038 . . 442 54 54 GLU HB3 H 2.322 . . 443 54 54 GLU HG2 H 2.107 . . 444 54 54 GLU HG3 H 2.497 . . 445 54 54 GLU C C 180.024 . . 446 54 54 GLU CA C 60.324 . . 447 54 54 GLU CB C 28.967 . . 448 54 54 GLU CG C 37.201 . . 449 54 54 GLU N N 116.721 . . 450 55 55 GLU H H 8.509 . . 451 55 55 GLU HA H 4.024 . . 452 55 55 GLU HB2 H 2.084 . . 453 55 55 GLU HB3 H 2.278 . . 454 55 55 GLU HG3 H 2.359 . . 455 55 55 GLU C C 179.390 . . 456 55 55 GLU CA C 59.609 . . 457 55 55 GLU CB C 29.203 . . 458 55 55 GLU CG C 36.838 . . 459 55 55 GLU N N 122.383 . . 460 56 56 SER H H 8.920 . . 461 56 56 SER HA H 3.806 . . 462 56 56 SER C C 176.327 . . 463 56 56 SER CA C 62.239 . . 464 56 56 SER CB C 63.549 . . 465 56 56 SER N N 118.392 . . 466 57 57 LEU H H 7.990 . . 467 57 57 LEU HA H 4.069 . . 468 57 57 LEU HB2 H 1.548 . . 469 57 57 LEU HB3 H 2.220 . . 470 57 57 LEU HG H 1.72 . . 471 57 57 LEU HD1 H 0.895 . . 472 57 57 LEU HD2 H 0.96 . . 473 57 57 LEU C C 178.015 . . 474 57 57 LEU CA C 58.403 . . 475 57 57 LEU CB C 40.841 . . 476 57 57 LEU CG C 26.624 . . 477 57 57 LEU CD1 C 23.616 . . 478 57 57 LEU N N 122.726 . . 479 58 58 THR H H 8.036 . . 480 58 58 THR HA H 4.237 . . 481 58 58 THR HB H 4.060 . . 482 58 58 THR HG2 H 1.228 . . 483 58 58 THR C C 177.853 . . 484 58 58 THR CA C 66.700 . . 485 58 58 THR CB C 68.472 . . 486 58 58 THR CG2 C 22.049 . . 487 58 58 THR N N 117.384 . . 488 59 59 HIS H H 8.306 . . 489 59 59 HIS HD2 H 7.03 . . 490 59 59 HIS CA C 58.257 . . 491 59 59 HIS CB C 30.241 . . 492 59 59 HIS N N 121.598 . . 493 61 61 GLU HA H 3.731 . . 494 61 61 GLU HB3 H 2.143 . . 495 61 61 GLU HG2 H 2.15 . . 496 61 61 GLU HG3 H 2.324 . . 497 61 61 GLU C C 178.397 . . 498 61 61 GLU CA C 60.559 . . 499 61 61 GLU CB C 29.474 . . 500 61 61 GLU CG C 36.979 . . 501 62 62 ALA H H 7.727 . . 502 62 62 ALA HA H 4.206 . . 503 62 62 ALA HB H 1.492 . . 504 62 62 ALA C C 178.841 . . 505 62 62 ALA CA C 55.461 . . 506 62 62 ALA CB C 17.776 . . 507 62 62 ALA N N 120.523 . . 508 63 63 ALA H H 7.834 . . 509 63 63 ALA HA H 4.182 . . 510 63 63 ALA HB H 1.489 . . 511 63 63 ALA C C 179.925 . . 512 63 63 ALA CA C 55.331 . . 513 63 63 ALA CB C 18.250 . . 514 63 63 ALA N N 120.024 . . 515 64 64 VAL H H 8.505 . . 516 64 64 VAL HA H 3.517 . . 517 64 64 VAL HB H 2.245 . . 518 64 64 VAL HG1 H 1.036 . . 519 64 64 VAL HG2 H 0.906 . . 520 64 64 VAL C C 179.711 . . 521 64 64 VAL CA C 66.214 . . 522 64 64 VAL CB C 31.623 . . 523 64 64 VAL CG1 C 23.621 . . 524 64 64 VAL CG2 C 21.195 . . 525 64 64 VAL N N 119.517 . . 526 65 65 ASN H H 8.104 . . 527 65 65 ASN HA H 4.443 . . 528 65 65 ASN HB3 H 2.876 . . 529 65 65 ASN C C 177.042 . . 530 65 65 ASN CA C 55.956 . . 531 65 65 ASN CB C 38.308 . . 532 65 65 ASN N N 119.510 . . 533 66 66 GLN H H 7.936 . . 534 66 66 GLN HA H 4.247 . . 535 66 66 GLN HB2 H 2.084 . . 536 66 66 GLN HB3 H 2.189 . . 537 66 66 GLN HG3 H 2.494 . . 538 66 66 GLN C C 176.836 . . 539 66 66 GLN CA C 56.373 . . 540 66 66 GLN CB C 29.380 . . 541 66 66 GLN CG C 34.102 . . 542 66 66 GLN N N 116.880 . . 543 67 67 GLY H H 7.878 . . 544 67 67 GLY HA2 H 3.803 . . 545 67 67 GLY HA3 H 4.035 . . 546 67 67 GLY C C 174.530 . . 547 67 67 GLY CA C 46.264 . . 548 67 67 GLY N N 108.555 . . 549 68 68 ASP H H 7.719 . . 550 68 68 ASP HA H 4.768 . . 551 68 68 ASP HB2 H 2.425 . . 552 68 68 ASP HB3 H 2.901 . . 553 68 68 ASP C C 175.429 . . 554 68 68 ASP CA C 52.329 . . 555 68 68 ASP CB C 40.169 . . 556 68 68 ASP N N 119.205 . . 557 69 69 ALA H H 8.192 . . 558 69 69 ALA HA H 3.926 . . 559 69 69 ALA HB H 1.478 . . 560 69 69 ALA C C 180.433 . . 561 69 69 ALA CA C 55.674 . . 562 69 69 ALA CB C 19.046 . . 563 69 69 ALA N N 127.348 . . 564 70 70 THR H H 8.411 . . 565 70 70 THR HA H 4.002 . . 566 70 70 THR HB H 4.199 . . 567 70 70 THR HG2 H 1.206 . . 568 70 70 THR C C 176.469 . . 569 70 70 THR CA C 66.005 . . 570 70 70 THR CB C 68.6 . . 571 70 70 THR CG2 C 21.961 . . 572 70 70 THR N N 114.481 . . 573 71 71 ARG H H 7.479 . . 574 71 71 ARG HA H 4.146 . . 575 71 71 ARG HB3 H 1.719 . . 576 71 71 ARG HD3 H 3.158 . . 577 71 71 ARG C C 178.134 . . 578 71 71 ARG CA C 58.685 . . 579 71 71 ARG CB C 30.608 . . 580 71 71 ARG CG C 27.783 . . 581 71 71 ARG CD C 43.335 . . 582 71 71 ARG N N 123.465 . . 583 72 72 VAL H H 8.226 . . 584 72 72 VAL HA H 3.317 . . 585 72 72 VAL HB H 2.050 . . 586 72 72 VAL HG1 H 0.928 . . 587 72 72 VAL HG2 H 0.812 . . 588 72 72 VAL C C 176.705 . . 589 72 72 VAL CA C 67.074 . . 590 72 72 VAL CB C 31.990 . . 591 72 72 VAL CG1 C 24.048 . . 592 72 72 VAL CG2 C 20.999 . . 593 72 72 VAL N N 118.464 . . 594 73 73 ALA H H 7.569 . . 595 73 73 ALA HA H 4.004 . . 596 73 73 ALA HB H 1.490 . . 597 73 73 ALA C C 180.225 . . 598 73 73 ALA CA C 55.396 . . 599 73 73 ALA CB C 18.051 . . 600 73 73 ALA N N 118.705 . . 601 74 74 TRP H H 7.698 . . 602 74 74 TRP HA H 4.290 . . 603 74 74 TRP HB2 H 3.30 . . 604 74 74 TRP HB3 H 3.39 . . 605 74 74 TRP HD1 H 7.22 . . 606 74 74 TRP HE1 H 10.12 . . 607 74 74 TRP HE3 H 7.35 . . 608 74 74 TRP HZ2 H 7.36 . . 609 74 74 TRP C C 179.152 . . 610 74 74 TRP CA C 61.147 . . 611 74 74 TRP CB C 29.408 . . 612 74 74 TRP N N 117.992 . . 613 74 74 TRP NE1 N 129.7 . . 614 75 75 LEU H H 8.701 . . 615 75 75 LEU HA H 3.802 . . 616 75 75 LEU HB2 H 1.228 . . 617 75 75 LEU HB3 H 1.938 . . 618 75 75 LEU HD1 H 0.952 . . 619 75 75 LEU HD2 H 0.759 . . 620 75 75 LEU C C 179.167 . . 621 75 75 LEU CA C 57.770 . . 622 75 75 LEU CB C 43.478 . . 623 75 75 LEU CD1 C 26.226 . . 624 75 75 LEU CD2 C 22.953 . . 625 75 75 LEU N N 120.018 . . 626 76 76 ALA H H 8.918 . . 627 76 76 ALA HA H 3.849 . . 628 76 76 ALA HB H 1.397 . . 629 76 76 ALA C C 179.966 . . 630 76 76 ALA CA C 55.837 . . 631 76 76 ALA CB C 18.139 . . 632 76 76 ALA N N 121.674 . . 633 77 77 GLU H H 7.495 . . 634 77 77 GLU HA H 3.909 . . 635 77 77 GLU HB3 H 1.980 . . 636 77 77 GLU HG3 H 2.309 . . 637 77 77 GLU C C 178.967 . . 638 77 77 GLU CA C 59.363 . . 639 77 77 GLU CB C 29.436 . . 640 77 77 GLU CG C 36.384 . . 641 77 77 GLU N N 118.509 . . 642 78 78 ARG H H 7.709 . . 643 78 78 ARG HA H 3.796 . . 644 78 78 ARG HB2 H 1.185 . . 645 78 78 ARG HB3 H 1.469 . . 646 78 78 ARG HD3 H 2.726 . . 647 78 78 ARG C C 178.108 . . 648 78 78 ARG CA C 58.581 . . 649 78 78 ARG CB C 29.491 . . 650 78 78 ARG CG C 26.265 . . 651 78 78 ARG CD C 42.867 . . 652 78 78 ARG N N 121.040 . . 653 79 79 LEU H H 8.562 . . 654 79 79 LEU HA H 4.253 . . 655 79 79 LEU HB2 H 1.401 . . 656 79 79 LEU HB3 H 1.813 . . 657 79 79 LEU HD1 H 1.063 . . 658 79 79 LEU HD2 H 0.843 . . 659 79 79 LEU C C 178.451 . . 660 79 79 LEU CA C 57.432 . . 661 79 79 LEU CB C 41.446 . . 662 79 79 LEU CG C 27.930 . . 663 79 79 LEU CD1 C 23.434 . . 664 79 79 LEU N N 119.560 . . 665 80 80 ALA H H 8.073 . . 666 80 80 ALA HA H 3.822 . . 667 80 80 ALA HB H 1.446 . . 668 80 80 ALA C C 179.778 . . 669 80 80 ALA CA C 56.013 . . 670 80 80 ALA CB C 17.750 . . 671 80 80 ALA N N 120.047 . . 672 81 81 ALA H H 7.517 . . 673 81 81 ALA HA H 4.121 . . 674 81 81 ALA HB H 1.421 . . 675 81 81 ALA C C 180.969 . . 676 81 81 ALA CA C 55.027 . . 677 81 81 ALA CB C 18.265 . . 678 81 81 ALA N N 119.605 . . 679 82 82 GLN H H 8.290 . . 680 82 82 GLN HA H 3.577 . . 681 82 82 GLN HB2 H 1.635 . . 682 82 82 GLN HB3 H 2.530 . . 683 82 82 GLN HG2 H 0.717 . . 684 82 82 GLN HG3 H 2.304 . . 685 82 82 GLN C C 178.713 . . 686 82 82 GLN CA C 59.724 . . 687 82 82 GLN CB C 28.109 . . 688 82 82 GLN CG C 33.784 . . 689 82 82 GLN N N 120.268 . . 690 83 83 ILE H H 8.779 . . 691 83 83 ILE HA H 3.541 . . 692 83 83 ILE HB H 1.897 . . 693 83 83 ILE HG12 H 0.75 . . 694 83 83 ILE HG13 H 1.88 . . 695 83 83 ILE HG2 H 0.818 . . 696 83 83 ILE HD1 H 0.77 . . 697 83 83 ILE C C 177.811 . . 698 83 83 ILE CA C 65.755 . . 699 83 83 ILE CB C 38.379 . . 700 83 83 ILE CG1 C 29.044 . . 701 83 83 ILE CG2 C 17.6 . . 702 83 83 ILE CD1 C 15.978 . . 703 83 83 ILE N N 118.450 . . 704 84 84 GLU H H 7.885 . . 705 84 84 GLU HA H 3.953 . . 706 84 84 GLU HB3 H 2.043 . . 707 84 84 GLU HG3 H 2.301 . . 708 84 84 GLU C C 178.940 . . 709 84 84 GLU CA C 59.557 . . 710 84 84 GLU CB C 29.321 . . 711 84 84 GLU CG C 36.221 . . 712 84 84 GLU N N 118.709 . . 713 85 85 ALA H H 8.013 . . 714 85 85 ALA HA H 4.156 . . 715 85 85 ALA HB H 1.581 . . 716 85 85 ALA C C 181.291 . . 717 85 85 ALA CA C 55.262 . . 718 85 85 ALA CB C 18.839 . . 719 85 85 ALA N N 120.392 . . 720 86 86 LEU H H 8.266 . . 721 86 86 LEU HA H 4.051 . . 722 86 86 LEU HB2 H 1.270 . . 723 86 86 LEU HB3 H 2.139 . . 724 86 86 LEU HD1 H 0.864 . . 725 86 86 LEU HD2 H 0.718 . . 726 86 86 LEU C C 178.323 . . 727 86 86 LEU CA C 58.121 . . 728 86 86 LEU CB C 42.757 . . 729 86 86 LEU CG C 27.438 . . 730 86 86 LEU CD1 C 25.876 . . 731 86 86 LEU CD2 C 23.349 . . 732 86 86 LEU N N 118.589 . . 733 87 87 GLN H H 8.933 . . 734 87 87 GLN HA H 3.716 . . 735 87 87 GLN HB2 H 2.054 . . 736 87 87 GLN HB3 H 2.248 . . 737 87 87 GLN HG3 H 2.423 . . 738 87 87 GLN C C 178.971 . . 739 87 87 GLN CA C 59.810 . . 740 87 87 GLN CB C 28.316 . . 741 87 87 GLN CG C 34.361 . . 742 87 87 GLN N N 119.915 . . 743 88 88 ARG H H 7.975 . . 744 88 88 ARG HA H 4.058 . . 745 88 88 ARG HB2 H 1.899 . . 746 88 88 ARG HB3 H 1.963 . . 747 88 88 ARG HG3 H 1.601 . . 748 88 88 ARG HD3 H 3.191 . . 749 88 88 ARG C C 179.306 . . 750 88 88 ARG CA C 59.434 . . 751 88 88 ARG CB C 30.288 . . 752 88 88 ARG CG C 27.741 . . 753 88 88 ARG CD C 43.760 . . 754 88 88 ARG N N 118.312 . . 755 89 89 GLU H H 7.729 . . 756 89 89 GLU HA H 4.180 . . 757 89 89 GLU HB2 H 1.865 . . 758 89 89 GLU HB3 H 2.097 . . 759 89 89 GLU C C 178.781 . . 760 89 89 GLU CA C 58.180 . . 761 89 89 GLU CB C 29.526 . . 762 89 89 GLU CG C 35.084 . . 763 89 89 GLU N N 119.678 . . 764 90 90 ALA H H 8.294 . . 765 90 90 ALA HA H 3.918 . . 766 90 90 ALA HB H 1.306 . . 767 90 90 ALA C C 177.601 . . 768 90 90 ALA CA C 54.499 . . 769 90 90 ALA CB C 18.320 . . 770 90 90 ALA N N 121.010 . . 771 91 91 ALA H H 7.809 . . 772 91 91 ALA HA H 4.167 . . 773 91 91 ALA HB H 1.488 . . 774 91 91 ALA C C 179.459 . . 775 91 91 ALA CA C 54.453 . . 776 91 91 ALA CB C 18.452 . . 777 91 91 ALA N N 119.888 . . 778 92 92 THR H H 7.746 . . 779 92 92 THR HA H 4.079 . . 780 92 92 THR HB H 4.259 . . 781 92 92 THR HG2 H 1.243 . . 782 92 92 THR C C 175.581 . . 783 92 92 THR CA C 64.462 . . 784 92 92 THR CB C 69.311 . . 785 92 92 THR CG2 C 21.770 . . 786 92 92 THR N N 112.361 . . 787 93 93 ALA H H 8.014 . . 788 93 93 ALA HA H 4.160 . . 789 93 93 ALA HB H 1.420 . . 790 93 93 ALA C C 178.916 . . 791 93 93 ALA CA C 54.192 . . 792 93 93 ALA CB C 19.195 . . 793 93 93 ALA N N 124.435 . . 794 94 94 THR H H 7.831 . . 795 94 94 THR HA H 4.081 . . 796 94 94 THR HB H 4.220 . . 797 94 94 THR HG2 H 1.187 . . 798 94 94 THR C C 175.073 . . 799 94 94 THR CA C 63.792 . . 800 94 94 THR CB C 69.5 . . 801 94 94 THR CG2 C 21.662 . . 802 94 94 THR N N 111.825 . . 803 95 95 LEU H H 7.725 . . 804 95 95 LEU HA H 4.220 . . 805 95 95 LEU HB3 H 1.583 . . 806 95 95 LEU HD1 H 0.846 . . 807 95 95 LEU C C 177.650 . . 808 95 95 LEU CA C 56.214 . . 809 95 95 LEU CB C 42.163 . . 810 95 95 LEU CG C 26.795 . . 811 95 95 LEU CD1 C 24.854 . . 812 95 95 LEU CD2 C 23.543 . . 813 95 95 LEU N N 122.996 . . 814 96 96 ARG H H 7.986 . . 815 96 96 ARG CA C 56.498 . . 816 96 96 ARG CB C 30.354 . . 817 96 96 ARG N N 119.935 . . 818 97 97 ARG HA H 4.214 . . 819 97 97 ARG HB3 H 1.746 . . 820 97 97 ARG HG3 H 1.553 . . 821 97 97 ARG HD3 H 3.112 . . 822 97 97 ARG C C 176.534 . . 823 97 97 ARG CA C 57.993 . . 824 97 97 ARG CB C 30.462 . . 825 97 97 ARG CG C 27.222 . . 826 97 97 ARG CD C 43.437 . . 827 98 98 HIS H H 7.985 . . 828 98 98 HIS HA H 4.531 . . 829 98 98 HIS HB2 H 3.03 . . 830 98 98 HIS HB3 H 3.10 . . 831 98 98 HIS HD2 H 7.00 . . 832 98 98 HIS C C 175.616 . . 833 98 98 HIS CA C 56.712 . . 834 98 98 HIS CB C 30.436 . . 835 98 98 HIS N N 120.885 . . 836 99 99 GLU H H 8.333 . . 837 99 99 GLU HA H 4.170 . . 838 99 99 GLU HB3 H 1.921 . . 839 99 99 GLU HG3 H 2.178 . . 840 99 99 GLU C C 176.359 . . 841 99 99 GLU CA C 57.113 . . 842 99 99 GLU CB C 30.204 . . 843 99 99 GLU CG C 36.266 . . 844 99 99 GLU N N 121.579 . . 845 100 100 ASN H H 8.394 . . 846 100 100 ASN HA H 4.622 . . 847 100 100 ASN HB2 H 2.69 . . 848 100 100 ASN HB3 H 2.76 . . 849 100 100 ASN C C 175.239 . . 850 100 100 ASN CA C 53.455 . . 851 100 100 ASN CB C 38.866 . . 852 100 100 ASN N N 118.944 . . 853 101 101 ALA H H 8.063 . . 854 101 101 ALA HA H 4.161 . . 855 101 101 ALA HB H 1.277 . . 856 101 101 ALA C C 177.232 . . 857 101 101 ALA CA C 53.210 . . 858 101 101 ALA CB C 19.177 . . 859 101 101 ALA N N 123.286 . . 860 102 102 HIS H H 8.20 . . 861 102 102 HIS HA H 4.556 . . 862 102 102 HIS HB2 H 3.137 . . 863 102 102 HIS HB3 H 3.333 . . 864 102 102 HIS C C 178.255 . . 865 102 102 HIS CA C 58.376 . . 866 102 102 HIS CB C 30.152 . . 867 102 102 HIS N N 116.894 . . 868 103 103 LEU H H 8.661 . . 869 103 103 LEU HA H 4.09 . . 870 103 103 LEU HB2 H 1.46 . . 871 103 103 LEU HD1 H 0.99 . . 872 103 103 LEU HD2 H 0.79 . . 873 103 103 LEU CA C 58.459 . . 874 103 103 LEU CB C 41.211 . . 875 103 103 LEU N N 124.186 . . 876 104 104 PRO HA H 4.309 . . 877 104 104 PRO HB2 H 1.859 . . 878 104 104 PRO HB3 H 2.259 . . 879 104 104 PRO HG3 H 1.998 . . 880 104 104 PRO HD2 H 3.58 . . 881 104 104 PRO HD3 H 3.760 . . 882 104 104 PRO C C 177.863 . . 883 104 104 PRO CA C 64.059 . . 884 104 104 PRO CB C 31.861 . . 885 104 104 PRO CG C 27.686 . . 886 104 104 PRO CD C 50.629 . . 887 105 105 GLY H H 8.699 . . 888 105 105 GLY HA3 H 3.828 . . 889 105 105 GLY C C 175.315 . . 890 105 105 GLY CA C 46.047 . . 891 105 105 GLY N N 108.757 . . 892 106 106 GLY H H 8.267 . . 893 106 106 GLY HA3 H 4.003 . . 894 106 106 GLY CA C 46.566 . . 895 106 106 GLY N N 108.954 . . 896 108 108 LEU HA H 4.004 . . 897 108 108 LEU HB2 H 1.228 . . 898 108 108 LEU HB3 H 1.810 . . 899 108 108 LEU HG H 1.647 . . 900 108 108 LEU HD1 H 0.841 . . 901 108 108 LEU C C 178.535 . . 902 108 108 LEU CA C 57.940 . . 903 108 108 LEU CB C 42.040 . . 904 108 108 LEU CG C 27.260 . . 905 108 108 LEU CD1 C 25.387 . . 906 108 108 LEU CD2 C 23.534 . . 907 109 109 HIS H H 8.122 . . 908 109 109 HIS HA H 4.074 . . 909 109 109 HIS HB3 H 3.076 . . 910 109 109 HIS HD2 H 7.10 . . 911 109 109 HIS C C 178.079 . . 912 109 109 HIS CA C 60.604 . . 913 109 109 HIS CB C 30.1 . . 914 109 109 HIS N N 117.872 . . 915 110 110 ALA H H 7.850 . . 916 110 110 ALA HA H 4.144 . . 917 110 110 ALA HB H 1.433 . . 918 110 110 ALA C C 179.952 . . 919 110 110 ALA CA C 54.979 . . 920 110 110 ALA CB C 17.982 . . 921 110 110 ALA N N 122.573 . . 922 111 111 ARG H H 7.904 . . 923 111 111 ARG HA H 3.888 . . 924 111 111 ARG HB3 H 1.831 . . 925 111 111 ARG HG3 H 1.519 . . 926 111 111 ARG HD3 H 3.064 . . 927 111 111 ARG C C 177.596 . . 928 111 111 ARG CA C 58.417 . . 929 111 111 ARG CB C 30.090 . . 930 111 111 ARG CG C 26.718 . . 931 111 111 ARG CD C 43.660 . . 932 111 111 ARG N N 119.357 . . 933 112 112 LEU H H 8.174 . . 934 112 112 LEU HA H 4.013 . . 935 112 112 LEU HB2 H 1.480 . . 936 112 112 LEU HB3 H 1.944 . . 937 112 112 LEU HD1 H 0.895 . . 938 112 112 LEU C C 178.001 . . 939 112 112 LEU CA C 58.597 . . 940 112 112 LEU CB C 41.529 . . 941 112 112 LEU CG C 26.104 . . 942 112 112 LEU CD1 C 25.018 . . 943 112 112 LEU N N 119.046 . . 944 113 113 ALA H H 7.676 . . 945 113 113 ALA CA C 55.060 . . 946 113 113 ALA CB C 17.887 . . 947 113 113 ALA N N 119.436 . . 948 118 118 TYR HD1 H 7.19 . . 949 118 118 TYR HE1 H 6.79 . . 950 121 121 ARG HA H 4.077 . . 951 121 121 ARG HB3 H 1.911 . . 952 121 121 ARG HG3 H 1.662 . . 953 121 121 ARG HD3 H 3.237 . . 954 121 121 ARG C C 179.291 . . 955 121 121 ARG CA C 59.527 . . 956 121 121 ARG CB C 30.210 . . 957 121 121 ARG CG C 27.480 . . 958 121 121 ARG CD C 43.836 . . 959 122 122 LEU H H 8.661 . . 960 122 122 LEU HA H 3.966 . . 961 122 122 LEU HB2 H 1.012 . . 962 122 122 LEU HB3 H 1.988 . . 963 122 122 LEU HG H 1.33 . . 964 122 122 LEU HD1 H 0.675 . . 965 122 122 LEU HD2 H 0.299 . . 966 122 122 LEU C C 179.517 . . 967 122 122 LEU CA C 58.0 . . 968 122 122 LEU CB C 42.883 . . 969 122 122 LEU CG C 26.7 . . 970 122 122 LEU CD1 C 22.885 . . 971 122 122 LEU CD2 C 25.5 . . 972 122 122 LEU N N 121.026 . . 973 123 123 LEU H H 8.579 . . 974 123 123 LEU HA H 3.901 . . 975 123 123 LEU HB2 H 1.500 . . 976 123 123 LEU HB3 H 1.788 . . 977 123 123 LEU HG H 1.775 . . 978 123 123 LEU HD1 H 0.833 . . 979 123 123 LEU C C 179.233 . . 980 123 123 LEU CA C 58.229 . . 981 123 123 LEU CB C 42.000 . . 982 123 123 LEU CG C 26.726 . . 983 123 123 LEU CD1 C 25.116 . . 984 123 123 LEU CD2 C 23.993 . . 985 123 123 LEU N N 119.671 . . 986 124 124 ALA H H 7.780 . . 987 124 124 ALA HA H 4.178 . . 988 124 124 ALA HB H 1.520 . . 989 124 124 ALA C C 181.255 . . 990 124 124 ALA CA C 55.338 . . 991 124 124 ALA CB C 17.837 . . 992 124 124 ALA N N 121.750 . . 993 125 125 MET H H 8.104 . . 994 125 125 MET HA H 4.127 . . 995 125 125 MET HB2 H 2.036 . . 996 125 125 MET HB3 H 2.307 . . 997 125 125 MET HG2 H 2.527 . . 998 125 125 MET HG3 H 2.832 . . 999 125 125 MET C C 178.615 . . 1000 125 125 MET CA C 59.278 . . 1001 125 125 MET CB C 34.085 . . 1002 125 125 MET CG C 32.344 . . 1003 125 125 MET N N 118.687 . . 1004 126 126 LYS H H 8.824 . . 1005 126 126 LYS HA H 3.700 . . 1006 126 126 LYS HB2 H 1.639 . . 1007 126 126 LYS HB3 H 2.002 . . 1008 126 126 LYS HG3 H 1.370 . . 1009 126 126 LYS HD3 H 2.815 . . 1010 126 126 LYS C C 177.479 . . 1011 126 126 LYS CA C 60.775 . . 1012 126 126 LYS CB C 32.952 . . 1013 126 126 LYS CG C 30.104 . . 1014 126 126 LYS CD C 25.766 . . 1015 126 126 LYS CE C 41.613 . . 1016 126 126 LYS N N 121.762 . . 1017 127 127 ASN H H 8.578 . . 1018 127 127 ASN HB2 H 2.79 . . 1019 127 127 ASN HB3 H 2.88 . . 1020 127 127 ASN HD21 H 7.61 . . 1021 127 127 ASN HD22 H 6.79 . . 1022 127 127 ASN CA C 56.627 . . 1023 127 127 ASN CB C 38.716 . . 1024 127 127 ASN N N 117.520 . . 1025 130 130 GLU C C 179.911 . . 1026 130 130 GLU CA C 60.226 . . 1027 130 130 GLU CG C 37.835 . . 1028 131 131 GLN H H 7.990 . . 1029 131 131 GLN HA H 4.075 . . 1030 131 131 GLN HB3 H 2.188 . . 1031 131 131 GLN HG2 H 2.405 . . 1032 131 131 GLN HG3 H 2.498 . . 1033 131 131 GLN HE21 H 7.40 . . 1034 131 131 GLN HE22 H 6.76 . . 1035 131 131 GLN C C 178.766 . . 1036 131 131 GLN CA C 59.058 . . 1037 131 131 GLN CB C 28.111 . . 1038 131 131 GLN CG C 34.023 . . 1039 131 131 GLN N N 120.204 . . 1040 132 132 ARG H H 7.697 . . 1041 132 132 ARG CA C 58.869 . . 1042 132 132 ARG CB C 30.943 . . 1043 132 132 ARG N N 118.672 . . 1044 134 134 ALA HA H 3.900 . . 1045 134 134 ALA HB H 1.474 . . 1046 134 134 ALA C C 178.828 . . 1047 134 134 ALA CA C 54.432 . . 1048 134 134 ALA CB C 18.043 . . 1049 135 135 GLU H H 7.148 . . 1050 135 135 GLU HA H 4.027 . . 1051 135 135 GLU HB2 H 2.004 . . 1052 135 135 GLU HB3 H 2.147 . . 1053 135 135 GLU HG2 H 2.20 . . 1054 135 135 GLU HG3 H 2.411 . . 1055 135 135 GLU C C 177.360 . . 1056 135 135 GLU CA C 58.338 . . 1057 135 135 GLU CB C 30.388 . . 1058 135 135 GLU CG C 36.207 . . 1059 135 135 GLU N N 115.151 . . 1060 136 136 ARG H H 7.712 . . 1061 136 136 ARG HA H 4.219 . . 1062 136 136 ARG HB2 H 1.644 . . 1063 136 136 ARG HB3 H 1.842 . . 1064 136 136 ARG HG3 H 1.505 . . 1065 136 136 ARG HD3 H 3.151 . . 1066 136 136 ARG C C 175.302 . . 1067 136 136 ARG CA C 56.057 . . 1068 136 136 ARG CB C 31.929 . . 1069 136 136 ARG CG C 27.295 . . 1070 136 136 ARG CD C 43.572 . . 1071 136 136 ARG N N 116.876 . . 1072 137 137 HIS H H 8.557 . . 1073 137 137 HIS HA H 3.452 . . 1074 137 137 HIS HB3 H 2.986 . . 1075 137 137 HIS C C 174.329 . . 1076 137 137 HIS CA C 55.542 . . 1077 137 137 HIS CB C 26.790 . . 1078 137 137 HIS N N 120.683 . . 1079 138 138 ASP H H 7.174 . . 1080 138 138 ASP HA H 4.95 . . 1081 138 138 ASP HB2 H 2.64 . . 1082 138 138 ASP HB3 H 2.76 . . 1083 138 138 ASP CA C 52.035 . . 1084 138 138 ASP CB C 43.368 . . 1085 138 138 ASP N N 121.628 . . 1086 139 139 PRO HA H 4.510 . . 1087 139 139 PRO HB2 H 2.023 . . 1088 139 139 PRO HB3 H 2.453 . . 1089 139 139 PRO HG3 H 2.124 . . 1090 139 139 PRO HD2 H 4.00 . . 1091 139 139 PRO HD3 H 4.09 . . 1092 139 139 PRO C C 179.265 . . 1093 139 139 PRO CA C 64.951 . . 1094 139 139 PRO CB C 32.417 . . 1095 139 139 PRO CG C 27.421 . . 1096 139 139 PRO CD C 51.679 . . 1097 140 140 GLN H H 8.669 . . 1098 140 140 GLN HA H 4.088 . . 1099 140 140 GLN HB3 H 2.116 . . 1100 140 140 GLN HG3 H 2.396 . . 1101 140 140 GLN HE21 H 7.37 . . 1102 140 140 GLN HE22 H 6.83 . . 1103 140 140 GLN C C 179.061 . . 1104 140 140 GLN CA C 58.815 . . 1105 140 140 GLN CB C 27.887 . . 1106 140 140 GLN CG C 33.700 . . 1107 140 140 GLN N N 118.823 . . 1108 141 141 LEU H H 7.661 . . 1109 141 141 LEU HA H 4.151 . . 1110 141 141 LEU HB2 H 2.18 . . 1111 141 141 LEU HB3 H 1.576 . . 1112 141 141 LEU HG H 1.777 . . 1113 141 141 LEU HD1 H 1.027 . . 1114 141 141 LEU C C 178.743 . . 1115 141 141 LEU CA C 57.359 . . 1116 141 141 LEU CB C 42.759 . . 1117 141 141 LEU CD1 C 25.660 . . 1118 141 141 LEU CD2 C 24.130 . . 1119 141 141 LEU N N 120.109 . . 1120 142 142 ALA H H 7.437 . . 1121 142 142 ALA HA H 3.613 . . 1122 142 142 ALA HB H 1.314 . . 1123 142 142 ALA C C 180.268 . . 1124 142 142 ALA CA C 55.433 . . 1125 142 142 ALA CB C 17.591 . . 1126 142 142 ALA N N 120.460 . . 1127 143 143 ARG H H 7.534 . . 1128 143 143 ARG CA C 59.331 . . 1129 143 143 ARG N N 117.259 . . 1130 144 144 GLU H H 7.81 . . 1131 144 144 GLU HB2 H 2.021 . . 1132 144 144 GLU HB3 H 2.196 . . 1133 144 144 GLU HG2 H 2.15 . . 1134 144 144 GLU HG3 H 2.606 . . 1135 144 144 GLU C C 179.443 . . 1136 144 144 GLU CA C 59.745 . . 1137 144 144 GLU CG C 36.698 . . 1138 145 145 ILE H H 8.316 . . 1139 145 145 ILE HA H 3.410 . . 1140 145 145 ILE HB H 1.748 . . 1141 145 145 ILE HG12 H 0.66 . . 1142 145 145 ILE HG13 H 1.70 . . 1143 145 145 ILE HG2 H 0.80 . . 1144 145 145 ILE HD1 H 0.51 . . 1145 145 145 ILE C C 177.819 . . 1146 145 145 ILE CA C 66.770 . . 1147 145 145 ILE CB C 38.0 . . 1148 145 145 ILE CG1 C 31.6 . . 1149 145 145 ILE CG2 C 17.811 . . 1150 145 145 ILE CD1 C 13.661 . . 1151 145 145 ILE N N 121.035 . . 1152 146 146 THR H H 7.952 . . 1153 146 146 THR HA H 3.983 . . 1154 146 146 THR HB H 4.149 . . 1155 146 146 THR HG2 H 1.223 . . 1156 146 146 THR C C 176.625 . . 1157 146 146 THR CA C 66.794 . . 1158 146 146 THR CB C 68.784 . . 1159 146 146 THR CG2 C 21.983 . . 1160 146 146 THR N N 116.220 . . 1161 147 147 ALA H H 7.770 . . 1162 147 147 ALA HB H 1.48 . . 1163 147 147 ALA CA C 55.152 . . 1164 147 147 ALA CB C 18.042 . . 1165 147 147 ALA N N 123.814 . . 1166 149 149 ASP HA H 4.467 . . 1167 149 149 ASP HB2 H 2.71 . . 1168 149 149 ASP HB3 H 2.81 . . 1169 149 149 ASP C C 179.324 . . 1170 149 149 ASP CA C 56.626 . . 1171 149 149 ASP CB C 40.891 . . 1172 150 150 GLU H H 7.982 . . 1173 150 150 GLU HA H 4.071 . . 1174 150 150 GLU HB2 H 1.283 . . 1175 150 150 GLU HB3 H 2.174 . . 1176 150 150 GLU HG3 H 2.432 . . 1177 150 150 GLU C C 179.556 . . 1178 150 150 GLU CA C 59.908 . . 1179 150 150 GLU CB C 29.215 . . 1180 150 150 GLU CG C 36.373 . . 1181 150 150 GLU N N 120.914 . . 1182 151 151 ARG H H 7.841 . . 1183 151 151 ARG HA H 3.935 . . 1184 151 151 ARG HB3 H 1.960 . . 1185 151 151 ARG HD3 H 3.161 . . 1186 151 151 ARG C C 179.660 . . 1187 151 151 ARG CA C 59.742 . . 1188 151 151 ARG CB C 30.972 . . 1189 151 151 ARG CG C 27.960 . . 1190 151 151 ARG CD C 44.371 . . 1191 151 151 ARG N N 119.607 . . 1192 152 152 LEU H H 8.990 . . 1193 152 152 LEU HA H 3.856 . . 1194 152 152 LEU HB2 H 1.70 . . 1195 152 152 LEU HB3 H 1.811 . . 1196 152 152 LEU HD1 H 0.872 . . 1197 152 152 LEU C C 178.669 . . 1198 152 152 LEU CA C 58.514 . . 1199 152 152 LEU CB C 42.154 . . 1200 152 152 LEU CD1 C 26.252 . . 1201 152 152 LEU CD2 C 24.842 . . 1202 152 152 LEU N N 123.664 . . 1203 153 153 THR H H 8.466 . . 1204 153 153 THR HA H 3.82 . . 1205 153 153 THR HB H 4.30 . . 1206 153 153 THR HG2 H 1.18 . . 1207 153 153 THR C C 177.109 . . 1208 153 153 THR CA C 67.143 . . 1209 153 153 THR CB C 68.466 . . 1210 153 153 THR CG2 C 21.7 . . 1211 153 153 THR N N 118.182 . . 1212 154 154 ARG H H 7.819 . . 1213 154 154 ARG HA H 4.039 . . 1214 154 154 ARG HB2 H 1.321 . . 1215 154 154 ARG HB3 H 1.889 . . 1216 154 154 ARG HG3 H 1.297 . . 1217 154 154 ARG HD3 H 3.084 . . 1218 154 154 ARG C C 178.900 . . 1219 154 154 ARG CA C 59.984 . . 1220 154 154 ARG CG C 27.794 . . 1221 154 154 ARG CD C 43.651 . . 1222 154 154 ARG N N 121.725 . . 1223 155 155 CYS H H 8.348 . . 1224 155 155 CYS HA H 4.081 . . 1225 155 155 CYS HB2 H 2.857 . . 1226 155 155 CYS HB3 H 3.042 . . 1227 155 155 CYS C C 176.250 . . 1228 155 155 CYS CA C 62.185 . . 1229 155 155 CYS CB C 26.681 . . 1230 155 155 CYS N N 121.649 . . 1231 156 156 ARG H H 8.750 . . 1232 156 156 ARG HA H 3.909 . . 1233 156 156 ARG HB3 H 1.905 . . 1234 156 156 ARG HD3 H 3.128 . . 1235 156 156 ARG C C 179.713 . . 1236 156 156 ARG CA C 60.642 . . 1237 156 156 ARG CB C 29.554 . . 1238 156 156 ARG CD C 43.658 . . 1239 156 156 ARG N N 119.140 . . 1240 157 157 THR H H 8.262 . . 1241 157 157 THR HA H 4.212 . . 1242 157 157 THR HB H 3.987 . . 1243 157 157 THR HG2 H 1.185 . . 1244 157 157 THR C C 175.633 . . 1245 157 157 THR CA C 66.644 . . 1246 157 157 THR CB C 68.616 . . 1247 157 157 THR CG2 C 21.546 . . 1248 157 157 THR N N 118.686 . . 1249 158 158 ALA H H 7.578 . . 1250 158 158 ALA HB H 0.934 . . 1251 158 158 ALA C C 181.302 . . 1252 158 158 ALA CA C 55.429 . . 1253 158 158 ALA CB C 16.778 . . 1254 158 158 ALA N N 125.837 . . 1255 159 159 ILE H H 8.488 . . 1256 159 159 ILE HA H 3.384 . . 1257 159 159 ILE HB H 1.880 . . 1258 159 159 ILE HG2 H 0.883 . . 1259 159 159 ILE HD1 H 0.83 . . 1260 159 159 ILE C C 176.987 . . 1261 159 159 ILE CA C 66.971 . . 1262 159 159 ILE CG2 C 16.808 . . 1263 159 159 ILE CD1 C 14.4 . . 1264 159 159 ILE N N 122.301 . . 1265 160 160 ALA H H 7.918 . . 1266 160 160 ALA CA C 55.284 . . 1267 160 160 ALA CB C 17.952 . . 1268 160 160 ALA N N 122.204 . . 1269 164 164 ARG H H 7.96 . . 1270 164 164 ARG HA H 4.101 . . 1271 164 164 ARG HB3 H 1.874 . . 1272 164 164 ARG HG3 H 1.739 . . 1273 164 164 ARG HD3 H 3.190 . . 1274 164 164 ARG C C 178.642 . . 1275 164 164 ARG CA C 58.824 . . 1276 164 164 ARG CB C 30.200 . . 1277 164 164 ARG CG C 27.160 . . 1278 164 164 ARG CD C 43.488 . . 1279 165 165 ALA H H 7.642 . . 1280 165 165 ALA HA H 4.117 . . 1281 165 165 ALA HB H 1.518 . . 1282 165 165 ALA C C 180.031 . . 1283 165 165 ALA CA C 54.751 . . 1284 165 165 ALA CB C 18.680 . . 1285 165 165 ALA N N 122.080 . . 1286 166 166 LEU H H 7.997 . . 1287 166 166 LEU CA C 57.102 . . 1288 166 166 LEU CB C 42.559 . . 1289 166 166 LEU N N 118.952 . . 1290 167 167 GLU HA H 4.037 . . 1291 167 167 GLU HB3 H 2.091 . . 1292 167 167 GLU HG2 H 2.245 . . 1293 167 167 GLU HG3 H 2.407 . . 1294 167 167 GLU C C 177.524 . . 1295 167 167 GLU CA C 58.378 . . 1296 167 167 GLU CB C 29.797 . . 1297 167 167 GLU CG C 36.417 . . 1298 168 168 ARG H H 7.561 . . 1299 168 168 ARG HA H 4.228 . . 1300 168 168 ARG HB2 H 1.810 . . 1301 168 168 ARG HB3 H 1.927 . . 1302 168 168 ARG HG3 H 1.662 . . 1303 168 168 ARG HD3 H 3.169 . . 1304 168 168 ARG C C 176.836 . . 1305 168 168 ARG CA C 57.002 . . 1306 168 168 ARG CB C 30.553 . . 1307 168 168 ARG CG C 27.372 . . 1308 168 168 ARG CD C 43.539 . . 1309 168 168 ARG N N 117.043 . . 1310 169 169 ILE H H 7.581 . . 1311 169 169 ILE HA H 4.218 . . 1312 169 169 ILE HB H 1.962 . . 1313 169 169 ILE HG12 H 1.263 . . 1314 169 169 ILE HG13 H 1.503 . . 1315 169 169 ILE HG2 H 0.885 . . 1316 169 169 ILE HD1 H 0.83 . . 1317 169 169 ILE C C 176.330 . . 1318 169 169 ILE CA C 61.797 . . 1319 169 169 ILE CB C 38.625 . . 1320 169 169 ILE CG1 C 27.569 . . 1321 169 169 ILE CG2 C 17.764 . . 1322 169 169 ILE CD1 C 13.686 . . 1323 169 169 ILE N N 118.035 . . 1324 170 170 THR H H 7.915 . . 1325 170 170 THR HA H 4.284 . . 1326 170 170 THR HB H 4.23 . . 1327 170 170 THR HG2 H 1.188 . . 1328 170 170 THR C C 173.561 . . 1329 170 170 THR CA C 62.181 . . 1330 170 170 THR CB C 69.953 . . 1331 170 170 THR CG2 C 21.638 . . 1332 170 170 THR N N 116.777 . . 1333 171 171 ARG H H 7.779 . . 1334 171 171 ARG CA C 57.627 . . 1335 171 171 ARG CB C 31.561 . . 1336 171 171 ARG N N 128.329 . . stop_ save_