data_30379 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of Sodium/Calcium Exchanger 1 (NCX1) Two-helix Bundle (THB) domain ; _BMRB_accession_number 30379 _BMRB_flat_file_name bmr30379.str _Entry_type original _Submission_date 2017-12-12 _Accession_date 2017-12-12 _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 Yuan J. . . 2 Yuan C. . . 3 Bruschweiler R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 320 "13C chemical shifts" 258 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-08 update BMRB 'update entry citation' 2018-07-12 update BMRB 'update entry citation' 2018-06-18 original author 'original release' stop_ _Original_release_date 2018-01-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Intracellular Loop of the Na+/Ca2+ Exchanger Contains a Novel Two-Helix Bundle Domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29898361 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yuan J. . . 2 Yuan C. . . 3 Xie M. . . 4 Yu L. . . 5 Bruschweiler-Li L. . . 6 Bruschweiler R. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 57 _Journal_issue 34 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5096 _Page_last 5104 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Sodium/calcium exchanger 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 6788.544 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; SNAVLEVDERDQDDEEARRE MARILKELKQKHPEKEIEQL IELANYQVLSQQQKSRA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 271 SER 2 272 ASN 3 273 ALA 4 274 VAL 5 275 LEU 6 276 GLU 7 277 VAL 8 278 ASP 9 279 GLU 10 280 ARG 11 281 ASP 12 282 GLN 13 283 ASP 14 284 ASP 15 285 GLU 16 286 GLU 17 287 ALA 18 288 ARG 19 289 ARG 20 290 GLU 21 291 MET 22 292 ALA 23 293 ARG 24 294 ILE 25 295 LEU 26 296 LYS 27 297 GLU 28 298 LEU 29 299 LYS 30 300 GLN 31 301 LYS 32 302 HIS 33 303 PRO 34 304 GLU 35 305 LYS 36 306 GLU 37 307 ILE 38 308 GLU 39 309 GLN 40 310 LEU 41 311 ILE 42 312 GLU 43 313 LEU 44 314 ALA 45 315 ASN 46 316 TYR 47 317 GLN 48 318 VAL 49 319 LEU 50 320 SER 51 321 GLN 52 322 GLN 53 323 GLN 54 324 LYS 55 325 SER 56 326 ARG 57 327 ALA 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 _Gene_mnemonic $entity_1 Dog 9615 Eukaryota Metazoa Canis lupus 'SLC8A1, NCX1' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) plasmid pTBSG1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-15N] NCX1_THB, 100 mM sodium chloride, 20 mM sodium phosphate, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 300 uM [U-15N] 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-13C; U-15N] NCX1 THB, 100 mM sodium chloride, 20 mM sodium phosphate, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' $entity_1 300 uM '[U-13C; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-13C; U-15N] NCX1 THB, 100 mM sodium chloride, 20 mM sodium phosphate, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' $entity_1 300 uM '[U-13C; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '300 uM NCX1 THB, 100 mM sodium chloride, 20 mM sodium phosphate, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' $entity_1 300 uM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-10% 13C] NCX1 THB, 100 mM sodium chloride, 20 mM sodium phosphate, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' $entity_1 300 uM '[U-10% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_software_2 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _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_3 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_H(CO)NH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CO)NH-TOCSY' _Sample_label $sample_2 save_ save_3D_(H)CC(CO)NH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH-TOCSY' _Sample_label $sample_2 save_ save_2D_aromatic_TROSY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D aromatic TROSY-HSQC' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_3D_HNHB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_2D_DQF-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_4 save_ save_2D_10%-13C_CT-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 10%-13C CT-HSQC' _Sample_label $sample_5 save_ save_3D_15N-edited_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label $sample_2 save_ save_3D_15N-edited_CNH-NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited CNH-NOESY' _Sample_label $sample_2 save_ save_3D_13C-edited_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label $sample_3 save_ save_3D_13C-edited_CCH-NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited CCH-NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 carbons' ppm 0.000 external direct . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACO' '3D HNCACB' '3D HN(COCA)CB' '3D HCCH-TOCSY' '3D H(CO)NH-TOCSY' '3D (H)CC(CO)NH-TOCSY' '2D aromatic TROSY-HSQC' '2D 1H-1H NOESY' '3D HNHB' '2D DQF-COSY' '2D 10%-13C CT-HSQC' '3D 15N-edited NOESY' '3D 15N-edited CNH-NOESY' '3D 13C-edited NOESY' '3D 13C-edited CCH-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 273 3 ALA H H 8.3530 . 1 2 273 3 ALA HA H 4.3080 . 1 3 273 3 ALA HB H 1.3580 . 1 4 273 3 ALA C C 177.4480 . 1 5 273 3 ALA CA C 52.6970 . 1 6 273 3 ALA CB C 19.1600 . 1 7 273 3 ALA N N 124.6900 . 1 8 274 4 VAL H H 8.1210 . 1 9 274 4 VAL HA H 4.0590 . 1 10 274 4 VAL HB H 2.0450 . 1 11 274 4 VAL HG1 H 0.9510 . 2 12 274 4 VAL HG2 H 0.9350 . 2 13 274 4 VAL C C 175.9400 . 1 14 274 4 VAL CA C 62.3970 . 1 15 274 4 VAL CB C 32.6110 . 1 16 274 4 VAL CG1 C 21.1160 . 2 17 274 4 VAL CG2 C 20.5780 . 2 18 274 4 VAL N N 119.8130 . 1 19 275 5 LEU H H 8.2730 . 1 20 275 5 LEU HA H 4.3700 . 1 21 275 5 LEU HB2 H 1.6090 . 2 22 275 5 LEU HB3 H 1.5660 . 2 23 275 5 LEU HG H 1.6390 . 1 24 275 5 LEU HD1 H 0.9180 . 2 25 275 5 LEU HD2 H 0.8580 . 2 26 275 5 LEU C C 177.0440 . 1 27 275 5 LEU CA C 54.9780 . 1 28 275 5 LEU CB C 42.5670 . 1 29 275 5 LEU CG C 27.0450 . 1 30 275 5 LEU CD1 C 24.7800 . 2 31 275 5 LEU CD2 C 23.5150 . 2 32 275 5 LEU N N 126.0530 . 1 33 276 6 GLU H H 8.4030 . 1 34 276 6 GLU HA H 4.3130 . 1 35 276 6 GLU HB2 H 1.9210 . 2 36 276 6 GLU HB3 H 2.0290 . 2 37 276 6 GLU HG2 H 2.2440 . 2 38 276 6 GLU C C 176.2740 . 1 39 276 6 GLU CA C 56.4890 . 1 40 276 6 GLU CB C 30.1640 . 1 41 276 6 GLU CG C 36.3080 . 1 42 276 6 GLU N N 122.6300 . 1 43 277 7 VAL H H 8.1290 . 1 44 277 7 VAL HA H 4.1020 . 1 45 277 7 VAL HB H 2.0590 . 1 46 277 7 VAL HG1 H 0.9150 . 2 47 277 7 VAL HG2 H 0.9130 . 2 48 277 7 VAL C C 175.5810 . 1 49 277 7 VAL CA C 62.2450 . 1 50 277 7 VAL CB C 33.0700 . 1 51 277 7 VAL CG1 C 21.1290 . 2 52 277 7 VAL CG2 C 20.3280 . 2 53 277 7 VAL N N 120.5890 . 1 54 278 8 ASP H H 8.4500 . 1 55 278 8 ASP HA H 4.6110 . 1 56 278 8 ASP HB2 H 2.7540 . 2 57 278 8 ASP HB3 H 2.6010 . 2 58 278 8 ASP C C 176.3040 . 1 59 278 8 ASP CA C 54.2160 . 1 60 278 8 ASP CB C 41.4470 . 1 61 278 8 ASP N N 124.3270 . 1 62 279 9 GLU H H 8.4490 . 1 63 279 9 GLU HA H 4.2630 . 1 64 279 9 GLU HB2 H 1.9350 . 2 65 279 9 GLU HB3 H 2.0750 . 2 66 279 9 GLU HG2 H 2.2430 . 2 67 279 9 GLU C C 176.6080 . 1 68 279 9 GLU CA C 56.9130 . 1 69 279 9 GLU CB C 30.0570 . 1 70 279 9 GLU CG C 36.3480 . 1 71 279 9 GLU N N 122.6660 . 1 72 280 10 ARG H H 8.3540 . 1 73 280 10 ARG HA H 4.3050 . 1 74 280 10 ARG HB2 H 1.8280 . 2 75 280 10 ARG HG2 H 1.6380 . 2 76 280 10 ARG HD2 H 3.1980 . 2 77 280 10 ARG C C 176.1450 . 1 78 280 10 ARG CA C 56.4640 . 1 79 280 10 ARG CB C 30.6280 . 1 80 280 10 ARG CG C 26.8650 . 1 81 280 10 ARG CD C 43.3950 . 1 82 280 10 ARG N N 121.3970 . 1 83 281 11 ASP H H 8.3830 . 1 84 281 11 ASP HA H 4.5770 . 1 85 281 11 ASP HB2 H 2.6500 . 2 86 281 11 ASP HB3 H 2.7320 . 2 87 281 11 ASP C C 176.5340 . 1 88 281 11 ASP CA C 54.7110 . 1 89 281 11 ASP CB C 41.1580 . 1 90 281 11 ASP N N 121.2670 . 1 91 282 12 GLN H H 8.3230 . 1 92 282 12 GLN HA H 4.2760 . 1 93 282 12 GLN HB2 H 1.9970 . 2 94 282 12 GLN HB3 H 2.1400 . 2 95 282 12 GLN HG2 H 2.3640 . 2 96 282 12 GLN HE21 H 7.6170 . 2 97 282 12 GLN HE22 H 6.8320 . 2 98 282 12 GLN C C 176.1600 . 1 99 282 12 GLN CA C 56.4500 . 1 100 282 12 GLN CB C 29.3870 . 1 101 282 12 GLN CG C 33.7960 . 1 102 282 12 GLN CD C 180.2830 . 1 103 282 12 GLN N N 120.6400 . 1 104 282 12 GLN NE2 N 112.5290 . 1 105 283 13 ASP H H 8.4160 . 1 106 283 13 ASP HA H 4.5810 . 1 107 283 13 ASP HB2 H 2.7070 . 2 108 283 13 ASP C C 176.5830 . 1 109 283 13 ASP CA C 54.9540 . 1 110 283 13 ASP CB C 41.1460 . 1 111 283 13 ASP N N 121.7010 . 1 112 284 14 ASP H H 8.2900 . 1 113 284 14 ASP HA H 4.5910 . 1 114 284 14 ASP HB2 H 2.7480 . 2 115 284 14 ASP C C 177.1400 . 1 116 284 14 ASP CA C 55.0270 . 1 117 284 14 ASP CB C 41.2560 . 1 118 284 14 ASP N N 121.7080 . 1 119 285 15 GLU H H 8.3690 . 1 120 285 15 GLU HA H 4.0400 . 1 121 285 15 GLU HB2 H 2.0950 . 2 122 285 15 GLU HG2 H 2.3150 . 2 123 285 15 GLU C C 178.6970 . 1 124 285 15 GLU CA C 59.2220 . 1 125 285 15 GLU CB C 29.5160 . 1 126 285 15 GLU CG C 36.0640 . 1 127 285 15 GLU N N 121.8210 . 1 128 286 16 GLU H H 8.3820 . 1 129 286 16 GLU HA H 4.0340 . 1 130 286 16 GLU HB2 H 2.0840 . 2 131 286 16 GLU HG2 H 2.3310 . 2 132 286 16 GLU C C 178.7990 . 1 133 286 16 GLU CA C 59.3910 . 1 134 286 16 GLU CB C 28.9440 . 1 135 286 16 GLU CG C 36.1320 . 1 136 286 16 GLU N N 120.4860 . 1 137 287 17 ALA H H 8.1330 . 1 138 287 17 ALA HA H 4.1800 . 1 139 287 17 ALA HB H 1.4850 . 1 140 287 17 ALA C C 180.7310 . 1 141 287 17 ALA CA C 55.0750 . 1 142 287 17 ALA CB C 18.0090 . 1 143 287 17 ALA N N 122.5830 . 1 144 288 18 ARG H H 8.0290 . 1 145 288 18 ARG HA H 4.0690 . 1 146 288 18 ARG HB2 H 2.0440 . 2 147 288 18 ARG HB3 H 1.9530 . 2 148 288 18 ARG HG2 H 1.8720 . 2 149 288 18 ARG HG3 H 1.6380 . 2 150 288 18 ARG HD2 H 3.2120 . 2 151 288 18 ARG C C 179.6420 . 1 152 288 18 ARG CA C 59.5210 . 1 153 288 18 ARG CB C 30.2150 . 1 154 288 18 ARG CG C 27.9530 . 1 155 288 18 ARG CD C 43.5520 . 1 156 288 18 ARG N N 118.5660 . 1 157 289 19 ARG H H 8.2050 . 1 158 289 19 ARG HA H 4.0910 . 1 159 289 19 ARG HB2 H 1.9560 . 2 160 289 19 ARG HG2 H 1.8470 . 2 161 289 19 ARG HG3 H 1.6540 . 2 162 289 19 ARG HD2 H 3.2440 . 2 163 289 19 ARG C C 179.4130 . 1 164 289 19 ARG CA C 59.5780 . 1 165 289 19 ARG CB C 30.3140 . 1 166 289 19 ARG CG C 27.9070 . 1 167 289 19 ARG CD C 43.7010 . 1 168 289 19 ARG N N 121.3720 . 1 169 290 20 GLU H H 8.3150 . 1 170 290 20 GLU HA H 4.3630 . 1 171 290 20 GLU HB2 H 2.1500 . 2 172 290 20 GLU HB3 H 2.0380 . 2 173 290 20 GLU HG2 H 2.3380 . 2 174 290 20 GLU C C 178.2200 . 1 175 290 20 GLU CA C 58.6560 . 1 176 290 20 GLU CB C 29.3330 . 1 177 290 20 GLU CG C 35.5600 . 1 178 290 20 GLU N N 121.8600 . 1 179 291 21 MET H H 8.2280 . 1 180 291 21 MET HA H 4.1610 . 1 181 291 21 MET HB2 H 2.1790 . 2 182 291 21 MET HG2 H 2.6200 . 2 183 291 21 MET HG3 H 2.5480 . 2 184 291 21 MET HE H 2.0640 . 1 185 291 21 MET C C 177.5760 . 1 186 291 21 MET CA C 58.1470 . 1 187 291 21 MET CB C 31.1600 . 1 188 291 21 MET CG C 32.2700 . 1 189 291 21 MET CE C 17.4600 . 1 190 291 21 MET N N 118.9640 . 1 191 292 22 ALA H H 7.8730 . 1 192 292 22 ALA HA H 4.0730 . 1 193 292 22 ALA HB H 1.4980 . 1 194 292 22 ALA C C 180.4660 . 1 195 292 22 ALA CA C 55.1580 . 1 196 292 22 ALA CB C 17.8380 . 1 197 292 22 ALA N N 119.7330 . 1 198 293 23 ARG H H 7.8530 . 1 199 293 23 ARG HA H 4.0250 . 1 200 293 23 ARG HB2 H 2.1290 . 2 201 293 23 ARG HB3 H 1.9820 . 2 202 293 23 ARG HG2 H 1.7470 . 2 203 293 23 ARG HG3 H 1.5670 . 2 204 293 23 ARG HD2 H 3.3340 . 2 205 293 23 ARG HD3 H 3.1310 . 2 206 293 23 ARG C C 179.0410 . 1 207 293 23 ARG CA C 59.7380 . 1 208 293 23 ARG CB C 29.8860 . 1 209 293 23 ARG CG C 27.1920 . 1 210 293 23 ARG CD C 42.9050 . 1 211 293 23 ARG N N 120.2430 . 1 212 294 24 ILE H H 8.3860 . 1 213 294 24 ILE HA H 3.6980 . 1 214 294 24 ILE HB H 1.9420 . 1 215 294 24 ILE HG12 H 1.7540 . 2 216 294 24 ILE HG13 H 1.1020 . 2 217 294 24 ILE HG2 H 0.9460 . 1 218 294 24 ILE HD1 H 0.8260 . 1 219 294 24 ILE C C 178.5910 . 1 220 294 24 ILE CA C 65.1510 . 1 221 294 24 ILE CB C 38.2870 . 1 222 294 24 ILE CG1 C 29.3010 . 1 223 294 24 ILE CG2 C 17.6360 . 1 224 294 24 ILE CD1 C 13.8480 . 1 225 294 24 ILE N N 121.5660 . 1 226 295 25 LEU H H 8.6760 . 1 227 295 25 LEU HA H 3.9760 . 1 228 295 25 LEU HB2 H 1.7740 . 2 229 295 25 LEU HB3 H 1.5760 . 2 230 295 25 LEU HG H 1.6970 . 1 231 295 25 LEU HD1 H 0.8430 . 2 232 295 25 LEU HD2 H 0.8100 . 2 233 295 25 LEU C C 178.7130 . 1 234 295 25 LEU CA C 58.5470 . 1 235 295 25 LEU CB C 41.9530 . 1 236 295 25 LEU CG C 27.0320 . 1 237 295 25 LEU CD1 C 25.0770 . 2 238 295 25 LEU CD2 C 24.4990 . 2 239 295 25 LEU N N 120.2890 . 1 240 296 26 LYS H H 7.7240 . 1 241 296 26 LYS HA H 3.9590 . 1 242 296 26 LYS HB2 H 1.9860 . 2 243 296 26 LYS HB3 H 1.9560 . 2 244 296 26 LYS HG2 H 1.5760 . 2 245 296 26 LYS HG3 H 1.3850 . 2 246 296 26 LYS HD2 H 1.7020 . 2 247 296 26 LYS HE2 H 2.9790 . 2 248 296 26 LYS C C 179.4130 . 1 249 296 26 LYS CA C 60.0130 . 1 250 296 26 LYS CB C 32.2850 . 1 251 296 26 LYS CG C 25.1220 . 1 252 296 26 LYS CD C 29.5060 . 1 253 296 26 LYS CE C 42.1640 . 1 254 296 26 LYS N N 118.8490 . 1 255 297 27 GLU H H 7.8230 . 1 256 297 27 GLU HA H 4.0930 . 1 257 297 27 GLU HB2 H 2.2200 . 2 258 297 27 GLU HB3 H 2.1220 . 2 259 297 27 GLU HG2 H 2.4610 . 2 260 297 27 GLU HG3 H 2.2330 . 2 261 297 27 GLU C C 179.9600 . 1 262 297 27 GLU CA C 59.2920 . 1 263 297 27 GLU CB C 29.5520 . 1 264 297 27 GLU CG C 36.4560 . 1 265 297 27 GLU N N 119.7460 . 1 266 298 28 LEU H H 8.8230 . 1 267 298 28 LEU HA H 4.1380 . 1 268 298 28 LEU HB2 H 2.0970 . 2 269 298 28 LEU HB3 H 1.4880 . 2 270 298 28 LEU HG H 2.0290 . 1 271 298 28 LEU HD1 H 0.8980 . 2 272 298 28 LEU HD2 H 1.0200 . 2 273 298 28 LEU C C 178.6990 . 1 274 298 28 LEU CA C 57.9890 . 1 275 298 28 LEU CB C 42.9970 . 1 276 298 28 LEU CG C 26.9560 . 1 277 298 28 LEU CD1 C 27.1680 . 2 278 298 28 LEU CD2 C 23.0760 . 2 279 298 28 LEU N N 120.5400 . 1 280 299 29 LYS H H 8.4000 . 1 281 299 29 LYS HA H 3.9100 . 1 282 299 29 LYS HB2 H 1.9270 . 2 283 299 29 LYS HB3 H 1.7930 . 2 284 299 29 LYS HG2 H 1.4620 . 2 285 299 29 LYS HD2 H 1.6030 . 2 286 299 29 LYS HE2 H 2.9440 . 2 287 299 29 LYS C C 178.1750 . 1 288 299 29 LYS CA C 58.5590 . 1 289 299 29 LYS CB C 32.2980 . 1 290 299 29 LYS CG C 25.0570 . 1 291 299 29 LYS CD C 29.3430 . 1 292 299 29 LYS CE C 42.2970 . 1 293 299 29 LYS N N 119.5760 . 1 294 300 30 GLN H H 7.3180 . 1 295 300 30 GLN HA H 4.0350 . 1 296 300 30 GLN HB2 H 2.1770 . 2 297 300 30 GLN HG2 H 2.5270 . 2 298 300 30 GLN HG3 H 2.3860 . 2 299 300 30 GLN HE21 H 7.4440 . 2 300 300 30 GLN HE22 H 6.8670 . 2 301 300 30 GLN C C 177.7070 . 1 302 300 30 GLN CA C 57.9340 . 1 303 300 30 GLN CB C 28.5420 . 1 304 300 30 GLN CG C 34.1010 . 1 305 300 30 GLN CD C 180.2830 . 1 306 300 30 GLN N N 115.6820 . 1 307 300 30 GLN NE2 N 111.7110 . 1 308 301 31 LYS H H 7.5440 . 1 309 301 31 LYS HA H 3.9850 . 1 310 301 31 LYS HB2 H 1.6700 . 2 311 301 31 LYS HB3 H 1.4560 . 2 312 301 31 LYS HG2 H 1.3560 . 2 313 301 31 LYS HG3 H 1.0670 . 2 314 301 31 LYS HD2 H 1.5810 . 2 315 301 31 LYS HE2 H 2.9200 . 2 316 301 31 LYS C C 176.2870 . 1 317 301 31 LYS CA C 57.9380 . 1 318 301 31 LYS CB C 33.9340 . 1 319 301 31 LYS CG C 25.2130 . 1 320 301 31 LYS CD C 29.2340 . 1 321 301 31 LYS CE C 42.1010 . 1 322 301 31 LYS N N 118.1100 . 1 323 302 32 HIS H H 8.0640 . 1 324 302 32 HIS HA H 5.2390 . 1 325 302 32 HIS HB2 H 3.1520 . 2 326 302 32 HIS HB3 H 2.7860 . 2 327 302 32 HIS HD2 H 6.8350 . 1 328 302 32 HIS HE1 H 7.7890 . 1 329 302 32 HIS C C 180.9180 . 1 330 302 32 HIS CA C 52.8060 . 1 331 302 32 HIS CB C 29.6110 . 1 332 302 32 HIS CD2 C 124.4800 . 1 333 302 32 HIS CE1 C 139.2140 . 1 334 302 32 HIS N N 116.3680 . 1 335 303 33 PRO HA H 4.5180 . 1 336 303 33 PRO HB2 H 2.3910 . 2 337 303 33 PRO HB3 H 2.0350 . 2 338 303 33 PRO HG2 H 2.0400 . 2 339 303 33 PRO HG3 H 2.0100 . 2 340 303 33 PRO HD2 H 3.6800 . 2 341 303 33 PRO HD3 H 3.3640 . 2 342 303 33 PRO C C 177.4660 . 1 343 303 33 PRO CA C 64.9080 . 1 344 303 33 PRO CB C 31.8170 . 1 345 303 33 PRO CG C 27.2320 . 1 346 303 33 PRO CD C 50.3600 . 1 347 304 34 GLU H H 9.6270 . 1 348 304 34 GLU HA H 4.4300 . 1 349 304 34 GLU HB2 H 2.1300 . 2 350 304 34 GLU HB3 H 2.0550 . 2 351 304 34 GLU HG2 H 2.4580 . 2 352 304 34 GLU HG3 H 2.1490 . 2 353 304 34 GLU C C 176.9820 . 1 354 304 34 GLU CA C 56.4420 . 1 355 304 34 GLU CB C 28.5990 . 1 356 304 34 GLU CG C 35.9220 . 1 357 304 34 GLU N N 118.9190 . 1 358 305 35 LYS H H 7.5410 . 1 359 305 35 LYS HA H 4.4060 . 1 360 305 35 LYS HB2 H 1.8630 . 2 361 305 35 LYS HB3 H 1.6750 . 2 362 305 35 LYS HG2 H 1.4600 . 2 363 305 35 LYS HD2 H 1.4670 . 2 364 305 35 LYS HD3 H 1.3150 . 2 365 305 35 LYS HE2 H 2.7060 . 2 366 305 35 LYS C C 176.0080 . 1 367 305 35 LYS CA C 56.4160 . 1 368 305 35 LYS CB C 33.8760 . 1 369 305 35 LYS CG C 26.6260 . 1 370 305 35 LYS CD C 29.2980 . 1 371 305 35 LYS CE C 41.8600 . 1 372 305 35 LYS N N 121.7100 . 1 373 306 36 GLU H H 8.6290 . 1 374 306 36 GLU HA H 4.3820 . 1 375 306 36 GLU HB2 H 2.4050 . 2 376 306 36 GLU HB3 H 1.9540 . 2 377 306 36 GLU HG2 H 2.4840 . 2 378 306 36 GLU HG3 H 2.4150 . 2 379 306 36 GLU C C 178.7780 . 1 380 306 36 GLU CA C 55.6120 . 1 381 306 36 GLU CB C 30.4720 . 1 382 306 36 GLU CG C 36.3210 . 1 383 306 36 GLU N N 120.9050 . 1 384 307 37 ILE H H 8.8810 . 1 385 307 37 ILE HA H 3.9110 . 1 386 307 37 ILE HB H 1.9780 . 1 387 307 37 ILE HG12 H 1.4700 . 2 388 307 37 ILE HG13 H 1.4700 . 2 389 307 37 ILE HG2 H 1.0000 . 1 390 307 37 ILE HD1 H 0.9530 . 1 391 307 37 ILE C C 176.8840 . 1 392 307 37 ILE CA C 63.6190 . 1 393 307 37 ILE CB C 37.7480 . 1 394 307 37 ILE CG1 C 28.7110 . 1 395 307 37 ILE CG2 C 18.0060 . 1 396 307 37 ILE CD1 C 13.2550 . 1 397 307 37 ILE N N 123.2810 . 1 398 308 38 GLU H H 9.1110 . 1 399 308 38 GLU HA H 3.9760 . 1 400 308 38 GLU HB2 H 2.0560 . 2 401 308 38 GLU HB3 H 2.0050 . 2 402 308 38 GLU HG2 H 2.4140 . 2 403 308 38 GLU HG3 H 2.3100 . 2 404 308 38 GLU C C 179.5000 . 1 405 308 38 GLU CA C 60.7150 . 1 406 308 38 GLU CB C 28.4850 . 1 407 308 38 GLU CG C 36.9800 . 1 408 308 38 GLU N N 119.7000 . 1 409 309 39 GLN H H 7.3230 . 1 410 309 39 GLN HA H 4.2460 . 1 411 309 39 GLN HB2 H 2.3620 . 2 412 309 39 GLN HB3 H 2.0950 . 2 413 309 39 GLN HG2 H 2.4530 . 2 414 309 39 GLN HE21 H 7.7170 . 2 415 309 39 GLN HE22 H 6.9530 . 2 416 309 39 GLN C C 178.6420 . 1 417 309 39 GLN CA C 58.1280 . 1 418 309 39 GLN CB C 29.1540 . 1 419 309 39 GLN CG C 35.0000 . 1 420 309 39 GLN CD C 180.0760 . 1 421 309 39 GLN N N 116.6750 . 1 422 309 39 GLN NE2 N 112.8900 . 1 423 310 40 LEU H H 7.9180 . 1 424 310 40 LEU HA H 4.0650 . 1 425 310 40 LEU HB2 H 2.0520 . 2 426 310 40 LEU HB3 H 1.3550 . 2 427 310 40 LEU HG H 1.6890 . 1 428 310 40 LEU HD1 H 0.8740 . 2 429 310 40 LEU HD2 H 0.8030 . 2 430 310 40 LEU C C 178.1920 . 1 431 310 40 LEU CA C 57.4600 . 1 432 310 40 LEU CB C 41.8040 . 1 433 310 40 LEU CG C 26.0330 . 1 434 310 40 LEU CD1 C 25.8440 . 2 435 310 40 LEU CD2 C 23.3200 . 2 436 310 40 LEU N N 120.6400 . 1 437 311 41 ILE H H 8.4080 . 1 438 311 41 ILE HA H 3.5900 . 1 439 311 41 ILE HB H 1.8080 . 1 440 311 41 ILE HG12 H 1.7650 . 2 441 311 41 ILE HG13 H 1.0810 . 2 442 311 41 ILE HG2 H 0.8910 . 1 443 311 41 ILE HD1 H 0.8320 . 1 444 311 41 ILE C C 177.7190 . 1 445 311 41 ILE CA C 65.5100 . 1 446 311 41 ILE CB C 38.1980 . 1 447 311 41 ILE CG1 C 29.7510 . 1 448 311 41 ILE CG2 C 17.0530 . 1 449 311 41 ILE CD1 C 13.4270 . 1 450 311 41 ILE N N 119.9800 . 1 451 312 42 GLU H H 7.3920 . 1 452 312 42 GLU HA H 4.0910 . 1 453 312 42 GLU HB2 H 2.1200 . 2 454 312 42 GLU HG2 H 2.3880 . 2 455 312 42 GLU HG3 H 2.2140 . 2 456 312 42 GLU C C 179.1960 . 1 457 312 42 GLU CA C 59.4770 . 1 458 312 42 GLU CB C 29.4930 . 1 459 312 42 GLU CG C 36.2780 . 1 460 312 42 GLU N N 119.1550 . 1 461 313 43 LEU H H 7.6570 . 1 462 313 43 LEU HA H 4.1840 . 1 463 313 43 LEU HB2 H 1.9010 . 2 464 313 43 LEU HB3 H 1.5950 . 2 465 313 43 LEU HG H 1.7660 . 1 466 313 43 LEU HD1 H 0.7640 . 2 467 313 43 LEU HD2 H 0.8230 . 2 468 313 43 LEU C C 179.4130 . 1 469 313 43 LEU CA C 57.6820 . 1 470 313 43 LEU CB C 42.3090 . 1 471 313 43 LEU CG C 26.9230 . 1 472 313 43 LEU CD1 C 24.5490 . 2 473 313 43 LEU CD2 C 23.3820 . 2 474 313 43 LEU N N 119.8630 . 1 475 314 44 ALA H H 8.6780 . 1 476 314 44 ALA HA H 3.9450 . 1 477 314 44 ALA HB H 1.4520 . 1 478 314 44 ALA C C 178.8360 . 1 479 314 44 ALA CA C 55.1610 . 1 480 314 44 ALA CB C 18.5830 . 1 481 314 44 ALA N N 123.7510 . 1 482 315 45 ASN H H 8.4350 . 1 483 315 45 ASN HA H 4.4200 . 1 484 315 45 ASN HB2 H 2.8650 . 2 485 315 45 ASN HB3 H 2.7390 . 2 486 315 45 ASN HD21 H 7.4540 . 2 487 315 45 ASN HD22 H 6.7560 . 2 488 315 45 ASN C C 177.5350 . 1 489 315 45 ASN CA C 55.7780 . 1 490 315 45 ASN CB C 38.2700 . 1 491 315 45 ASN CG C 175.6330 . 1 492 315 45 ASN N N 116.1810 . 1 493 315 45 ASN ND2 N 111.6590 . 1 494 316 46 TYR H H 7.9510 . 1 495 316 46 TYR HA H 4.3250 . 1 496 316 46 TYR HB2 H 3.1940 . 2 497 316 46 TYR HD1 H 7.1450 . 3 498 316 46 TYR HD2 H 7.1450 . 3 499 316 46 TYR HE1 H 6.8140 . 3 500 316 46 TYR HE2 H 6.8140 . 3 501 316 46 TYR C C 178.0310 . 1 502 316 46 TYR CA C 60.8420 . 1 503 316 46 TYR CB C 38.0180 . 1 504 316 46 TYR CD1 C 133.4370 . 3 505 316 46 TYR CD2 C 133.4370 . 3 506 316 46 TYR CE1 C 118.7280 . 3 507 316 46 TYR CE2 C 118.7280 . 3 508 316 46 TYR N N 119.2970 . 1 509 317 47 GLN H H 8.2490 . 1 510 317 47 GLN HA H 4.0130 . 1 511 317 47 GLN HB2 H 2.2900 . 2 512 317 47 GLN HB3 H 2.2020 . 2 513 317 47 GLN HG2 H 2.5250 . 2 514 317 47 GLN HG3 H 2.4080 . 2 515 317 47 GLN HE21 H 7.4780 . 2 516 317 47 GLN HE22 H 6.8230 . 2 517 317 47 GLN C C 178.2480 . 1 518 317 47 GLN CA C 58.8780 . 1 519 317 47 GLN CB C 28.3900 . 1 520 317 47 GLN CG C 33.9280 . 1 521 317 47 GLN CD C 179.2070 . 1 522 317 47 GLN N N 120.5780 . 1 523 317 47 GLN NE2 N 110.7860 . 1 524 318 48 VAL H H 8.1390 . 1 525 318 48 VAL HA H 3.7490 . 1 526 318 48 VAL HB H 2.1450 . 1 527 318 48 VAL HG1 H 0.9150 . 2 528 318 48 VAL HG2 H 1.0430 . 2 529 318 48 VAL C C 178.1900 . 1 530 318 48 VAL CA C 65.7840 . 1 531 318 48 VAL CB C 31.9750 . 1 532 318 48 VAL CG1 C 21.1290 . 2 533 318 48 VAL CG2 C 22.5410 . 2 534 318 48 VAL N N 119.3670 . 1 535 319 49 LEU H H 8.0200 . 1 536 319 49 LEU HA H 4.1510 . 1 537 319 49 LEU HB2 H 1.7210 . 2 538 319 49 LEU HB3 H 1.5610 . 2 539 319 49 LEU HG H 1.6970 . 1 540 319 49 LEU HD1 H 0.8750 . 2 541 319 49 LEU HD2 H 0.8480 . 2 542 319 49 LEU C C 179.2060 . 1 543 319 49 LEU CA C 57.1950 . 1 544 319 49 LEU CB C 41.8700 . 1 545 319 49 LEU CG C 27.1330 . 1 546 319 49 LEU CD1 C 24.7280 . 2 547 319 49 LEU CD2 C 23.5390 . 2 548 319 49 LEU N N 121.2170 . 1 549 320 50 SER H H 8.0760 . 1 550 320 50 SER HA H 4.2120 . 1 551 320 50 SER HB2 H 3.8360 . 2 552 320 50 SER HB3 H 3.7510 . 2 553 320 50 SER C C 175.8820 . 1 554 320 50 SER CA C 60.3260 . 1 555 320 50 SER CB C 63.2940 . 1 556 320 50 SER N N 114.3770 . 1 557 321 51 GLN H H 7.8860 . 1 558 321 51 GLN HA H 4.2360 . 1 559 321 51 GLN HB2 H 2.1900 . 2 560 321 51 GLN HB3 H 2.1090 . 2 561 321 51 GLN HG2 H 2.5060 . 2 562 321 51 GLN HG3 H 2.4320 . 2 563 321 51 GLN HE21 H 7.4980 . 2 564 321 51 GLN HE22 H 7.0290 . 2 565 321 51 GLN C C 177.0810 . 1 566 321 51 GLN CA C 57.0010 . 1 567 321 51 GLN CB C 28.6530 . 1 568 321 51 GLN CG C 34.0010 . 1 569 321 51 GLN CD C 180.3920 . 1 570 321 51 GLN N N 120.4780 . 1 571 321 51 GLN NE2 N 112.0070 . 1 572 322 52 GLN H H 8.0260 . 1 573 322 52 GLN HA H 4.2250 . 1 574 322 52 GLN HB2 H 2.1160 . 2 575 322 52 GLN HG2 H 2.4850 . 2 576 322 52 GLN HG3 H 2.4090 . 2 577 322 52 GLN HE21 H 7.5140 . 2 578 322 52 GLN HE22 H 6.8510 . 2 579 322 52 GLN C C 176.8550 . 1 580 322 52 GLN CA C 56.9640 . 1 581 322 52 GLN CB C 28.9070 . 1 582 322 52 GLN CG C 33.9650 . 1 583 322 52 GLN CD C 180.2960 . 1 584 322 52 GLN N N 119.4940 . 1 585 322 52 GLN NE2 N 111.9070 . 1 586 323 53 GLN H H 8.1950 . 1 587 323 53 GLN HA H 4.2430 . 1 588 323 53 GLN HB2 H 2.1330 . 2 589 323 53 GLN HB3 H 2.0440 . 2 590 323 53 GLN HG2 H 2.4080 . 2 591 323 53 GLN HE21 H 6.8640 . 2 592 323 53 GLN HE22 H 7.5140 . 2 593 323 53 GLN C C 176.4850 . 1 594 323 53 GLN CA C 56.5160 . 1 595 323 53 GLN CB C 28.8570 . 1 596 323 53 GLN CG C 33.8550 . 1 597 323 53 GLN CD C 180.4110 . 1 598 323 53 GLN N N 119.8840 . 1 599 323 53 GLN NE2 N 112.2410 . 1 600 324 54 LYS H H 8.1490 . 1 601 324 54 LYS HA H 4.3010 . 1 602 324 54 LYS HB2 H 1.8870 . 2 603 324 54 LYS HB3 H 1.8100 . 2 604 324 54 LYS HG2 H 1.5030 . 2 605 324 54 LYS HG3 H 1.4590 . 2 606 324 54 LYS HD2 H 1.6850 . 2 607 324 54 LYS HE2 H 2.9890 . 2 608 324 54 LYS C C 176.8740 . 1 609 324 54 LYS CA C 56.7360 . 1 610 324 54 LYS CB C 33.0000 . 1 611 324 54 LYS CG C 24.8050 . 1 612 324 54 LYS CD C 29.0740 . 1 613 324 54 LYS CE C 42.1970 . 1 614 324 54 LYS N N 121.4520 . 1 615 325 55 SER H H 8.2410 . 1 616 325 55 SER HA H 4.4210 . 1 617 325 55 SER HB2 H 3.8950 . 2 618 325 55 SER C C 174.3890 . 1 619 325 55 SER CA C 58.6730 . 1 620 325 55 SER CB C 63.7750 . 1 621 325 55 SER N N 116.3740 . 1 622 326 56 ARG H H 8.2220 . 1 623 326 56 ARG HA H 4.3760 . 1 624 326 56 ARG HB2 H 1.9210 . 2 625 326 56 ARG HB3 H 1.7650 . 2 626 326 56 ARG HG2 H 1.6720 . 2 627 326 56 ARG HD2 H 3.1970 . 2 628 326 56 ARG C C 174.9690 . 1 629 326 56 ARG CA C 55.9880 . 1 630 326 56 ARG CB C 30.8270 . 1 631 326 56 ARG CG C 26.9230 . 1 632 326 56 ARG CD C 43.4540 . 1 633 326 56 ARG N N 123.2300 . 1 634 327 57 ALA H H 7.9430 . 1 635 327 57 ALA HA H 4.1160 . 1 636 327 57 ALA HB H 1.3580 . 1 637 327 57 ALA C C 174.5300 . 1 638 327 57 ALA CA C 53.8330 . 1 639 327 57 ALA CB C 20.1800 . 1 640 327 57 ALA N N 130.8630 . 1 stop_ save_