data_10261 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the WHEP-TRS domain of human methionyl-tRNA synthetase ; _BMRB_accession_number 10261 _BMRB_flat_file_name bmr10261.str _Entry_type new _Submission_date 2008-11-21 _Accession_date 2008-11-21 _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 Sato M. . . 2 Sasagawa A. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 400 "13C chemical shifts" 290 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the WHEP-TRS domain of human methionyl-tRNA synthetase' _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 Sato M. . . 2 Sasagawa A. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Methionyl-tRNA synthetase' _Enzyme_commission_number E.C.6.1.1.10 loop_ _Mol_system_component_name _Mol_label 'WHEP-TRS domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'WHEP-TRS domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GSSGSSGTTAKPQQIQALMD EVTKQGNIVRELKAQKADKN EVAAEVAKLLDLKKQLAVAE GKPPEAPKGKKKKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 THR 10 ALA 11 LYS 12 PRO 13 GLN 14 GLN 15 ILE 16 GLN 17 ALA 18 LEU 19 MET 20 ASP 21 GLU 22 VAL 23 THR 24 LYS 25 GLN 26 GLY 27 ASN 28 ILE 29 VAL 30 ARG 31 GLU 32 LEU 33 LYS 34 ALA 35 GLN 36 LYS 37 ALA 38 ASP 39 LYS 40 ASN 41 GLU 42 VAL 43 ALA 44 ALA 45 GLU 46 VAL 47 ALA 48 LYS 49 LEU 50 LEU 51 ASP 52 LEU 53 LYS 54 LYS 55 GLN 56 LEU 57 ALA 58 VAL 59 ALA 60 GLU 61 GLY 62 LYS 63 PRO 64 PRO 65 GLU 66 ALA 67 PRO 68 LYS 69 GLY 70 LYS 71 LYS 72 LYS 73 LYS 74 SER 75 GLY 76 PRO 77 SER 78 SER 79 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2DJV "Solution Structures Of The Whep-Trs Domain Of Human Methionyl-Trna Synthetase" 100.00 79 100.00 100.00 6.29e-45 DBJ BAA95668 "methionyl tRNA synthetase [Homo sapiens]" 83.54 900 100.00 100.00 1.08e-31 DBJ BAD96487 "methionine-tRNA synthetase variant [Homo sapiens]" 83.54 900 100.00 100.00 1.30e-31 DBJ BAF83546 "unnamed protein product [Homo sapiens]" 83.54 900 100.00 100.00 1.02e-31 DBJ BAJ20957 "methionyl-tRNA synthetase [synthetic construct]" 83.54 900 100.00 100.00 1.08e-31 EMBL CAA64381 "yeast methionyl-tRNA synthetase homolog [Homo sapiens]" 83.54 900 100.00 100.00 1.36e-31 EMBL CAA89153 "orf [Homo sapiens]" 83.54 478 100.00 100.00 3.71e-33 GB AAH02384 "Methionyl-tRNA synthetase [Homo sapiens]" 83.54 900 100.00 100.00 1.08e-31 GB AAH06328 "Methionyl-tRNA synthetase [Homo sapiens]" 83.54 900 100.00 100.00 1.08e-31 GB AAH11639 "Methionyl-tRNA synthetase [Homo sapiens]" 83.54 900 100.00 100.00 1.08e-31 GB AAH11849 "Methionyl-tRNA synthetase [Homo sapiens]" 83.54 900 100.00 100.00 1.08e-31 GB AAH15011 "MARS protein, partial [Homo sapiens]" 83.54 899 100.00 100.00 1.56e-31 REF NP_001253877 "methionine--tRNA ligase, cytoplasmic [Macaca mulatta]" 83.54 900 96.97 98.48 1.18e-30 REF NP_004981 "methionine--tRNA ligase, cytoplasmic [Homo sapiens]" 83.54 900 100.00 100.00 1.08e-31 REF XP_002823470 "PREDICTED: methionine--tRNA ligase, cytoplasmic [Pongo abelii]" 83.54 900 96.97 100.00 5.85e-31 REF XP_004053501 "PREDICTED: methionine--tRNA ligase, cytoplasmic-like [Gorilla gorilla gorilla]" 83.54 697 96.97 98.48 3.92e-32 REF XP_005571392 "PREDICTED: methionine--tRNA ligase, cytoplasmic isoform X1 [Macaca fascicularis]" 83.54 908 96.97 98.48 1.13e-30 SP P56192 "RecName: Full=Methionine--tRNA ligase, cytoplasmic; AltName: Full=Methionyl-tRNA synthetase; Short=MetRS" 83.54 900 100.00 100.00 1.08e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P050704-14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'WHEP-TRS domain' _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 7 7 GLY HA2 H 4.042 0.030 1 2 7 7 GLY HA3 H 4.042 0.030 1 3 7 7 GLY C C 174.377 0.300 1 4 7 7 GLY CA C 45.425 0.300 1 5 8 8 THR H H 8.131 0.030 1 6 8 8 THR HA H 4.448 0.030 1 7 8 8 THR HB H 4.255 0.030 1 8 8 8 THR HG2 H 1.208 0.030 1 9 8 8 THR C C 174.773 0.300 1 10 8 8 THR CA C 61.787 0.300 1 11 8 8 THR CB C 69.913 0.300 1 12 8 8 THR CG2 C 21.608 0.300 1 13 8 8 THR N N 113.630 0.300 1 14 9 9 THR H H 8.180 0.030 1 15 9 9 THR HA H 4.355 0.030 1 16 9 9 THR HB H 4.228 0.030 1 17 9 9 THR HG2 H 1.230 0.030 1 18 9 9 THR C C 174.203 0.300 1 19 9 9 THR CA C 61.892 0.300 1 20 9 9 THR CB C 69.891 0.300 1 21 9 9 THR CG2 C 21.766 0.300 1 22 9 9 THR N N 116.604 0.300 1 23 10 10 ALA H H 8.405 0.030 1 24 10 10 ALA HA H 4.376 0.030 1 25 10 10 ALA HB H 1.413 0.030 1 26 10 10 ALA C C 177.430 0.300 1 27 10 10 ALA CA C 52.317 0.300 1 28 10 10 ALA CB C 19.506 0.300 1 29 10 10 ALA N N 126.934 0.300 1 30 11 11 LYS H H 8.462 0.030 1 31 11 11 LYS HA H 4.575 0.030 1 32 11 11 LYS HB2 H 1.881 0.030 2 33 11 11 LYS HB3 H 1.769 0.030 2 34 11 11 LYS HD2 H 1.758 0.030 1 35 11 11 LYS HD3 H 1.758 0.030 1 36 11 11 LYS HE2 H 2.989 0.030 1 37 11 11 LYS HE3 H 2.989 0.030 1 38 11 11 LYS HG2 H 1.541 0.030 1 39 11 11 LYS HG3 H 1.541 0.030 1 40 11 11 LYS C C 174.921 0.300 1 41 11 11 LYS CA C 55.122 0.300 1 42 11 11 LYS CB C 31.910 0.300 1 43 11 11 LYS CD C 29.191 0.300 1 44 11 11 LYS CE C 42.263 0.300 1 45 11 11 LYS CG C 24.921 0.300 1 46 11 11 LYS N N 121.526 0.300 1 47 12 12 PRO HA H 4.363 0.030 1 48 12 12 PRO HB2 H 2.425 0.030 2 49 12 12 PRO HB3 H 1.911 0.030 2 50 12 12 PRO HD2 H 3.900 0.030 2 51 12 12 PRO HD3 H 3.669 0.030 2 52 12 12 PRO HG2 H 2.145 0.030 2 53 12 12 PRO HG3 H 2.080 0.030 2 54 12 12 PRO C C 178.290 0.300 1 55 12 12 PRO CA C 64.502 0.300 1 56 12 12 PRO CB C 31.992 0.300 1 57 12 12 PRO CD C 50.535 0.300 1 58 12 12 PRO CG C 27.944 0.300 1 59 13 13 GLN H H 8.665 0.030 1 60 13 13 GLN HA H 4.158 0.030 1 61 13 13 GLN HB2 H 2.118 0.030 1 62 13 13 GLN HB3 H 2.118 0.030 1 63 13 13 GLN HE21 H 7.587 0.030 2 64 13 13 GLN HE22 H 6.910 0.030 2 65 13 13 GLN HG2 H 2.475 0.030 1 66 13 13 GLN HG3 H 2.475 0.030 1 67 13 13 GLN C C 177.727 0.300 1 68 13 13 GLN CA C 58.366 0.300 1 69 13 13 GLN CB C 28.584 0.300 1 70 13 13 GLN CG C 34.002 0.300 1 71 13 13 GLN N N 119.964 0.300 1 72 13 13 GLN NE2 N 112.331 0.300 1 73 14 14 GLN H H 8.376 0.030 1 74 14 14 GLN HA H 4.217 0.030 1 75 14 14 GLN HB2 H 2.163 0.030 1 76 14 14 GLN HB3 H 2.163 0.030 1 77 14 14 GLN HE21 H 7.555 0.030 2 78 14 14 GLN HE22 H 6.921 0.030 2 79 14 14 GLN HG2 H 2.468 0.030 2 80 14 14 GLN HG3 H 2.371 0.030 2 81 14 14 GLN C C 178.304 0.300 1 82 14 14 GLN CA C 58.190 0.300 1 83 14 14 GLN CB C 28.639 0.300 1 84 14 14 GLN CG C 33.970 0.300 1 85 14 14 GLN N N 120.039 0.300 1 86 14 14 GLN NE2 N 111.772 0.300 1 87 15 15 ILE H H 7.802 0.030 1 88 15 15 ILE HA H 3.654 0.030 1 89 15 15 ILE HB H 1.893 0.030 1 90 15 15 ILE HD1 H 0.848 0.030 1 91 15 15 ILE HG12 H 1.615 0.030 2 92 15 15 ILE HG13 H 1.020 0.030 2 93 15 15 ILE HG2 H 0.927 0.030 1 94 15 15 ILE C C 177.183 0.300 1 95 15 15 ILE CA C 64.643 0.300 1 96 15 15 ILE CB C 37.828 0.300 1 97 15 15 ILE CD1 C 12.994 0.300 1 98 15 15 ILE CG1 C 29.508 0.300 1 99 15 15 ILE CG2 C 17.516 0.300 1 100 15 15 ILE N N 119.981 0.300 1 101 16 16 GLN H H 8.159 0.030 1 102 16 16 GLN HA H 3.958 0.030 1 103 16 16 GLN HB2 H 2.123 0.030 2 104 16 16 GLN HB3 H 2.077 0.030 2 105 16 16 GLN HE21 H 7.705 0.030 2 106 16 16 GLN HE22 H 6.856 0.030 2 107 16 16 GLN HG2 H 2.380 0.030 1 108 16 16 GLN HG3 H 2.380 0.030 1 109 16 16 GLN C C 177.647 0.300 1 110 16 16 GLN CA C 58.648 0.300 1 111 16 16 GLN CB C 28.531 0.300 1 112 16 16 GLN CG C 33.723 0.300 1 113 16 16 GLN N N 119.695 0.300 1 114 16 16 GLN NE2 N 115.266 0.300 1 115 17 17 ALA H H 7.946 0.030 1 116 17 17 ALA HA H 4.239 0.030 1 117 17 17 ALA HB H 1.514 0.030 1 118 17 17 ALA C C 180.910 0.300 1 119 17 17 ALA CA C 55.106 0.300 1 120 17 17 ALA CB C 17.990 0.300 1 121 17 17 ALA N N 120.227 0.300 1 122 18 18 LEU H H 7.682 0.030 1 123 18 18 LEU HA H 4.187 0.030 1 124 18 18 LEU HB2 H 1.963 0.030 2 125 18 18 LEU HB3 H 1.407 0.030 2 126 18 18 LEU HD1 H 0.825 0.030 1 127 18 18 LEU HD2 H 0.856 0.030 1 128 18 18 LEU HG H 1.726 0.030 1 129 18 18 LEU C C 178.977 0.300 1 130 18 18 LEU CA C 57.890 0.300 1 131 18 18 LEU CB C 43.361 0.300 1 132 18 18 LEU CD1 C 25.234 0.300 2 133 18 18 LEU CD2 C 23.751 0.300 2 134 18 18 LEU CG C 27.613 0.300 1 135 18 18 LEU N N 119.764 0.300 1 136 19 19 MET H H 8.699 0.030 1 137 19 19 MET HA H 3.965 0.030 1 138 19 19 MET HB2 H 2.220 0.030 1 139 19 19 MET HB3 H 2.220 0.030 1 140 19 19 MET HE H 2.080 0.030 1 141 19 19 MET HG2 H 2.730 0.030 2 142 19 19 MET HG3 H 2.512 0.030 2 143 19 19 MET C C 179.207 0.300 1 144 19 19 MET CA C 59.794 0.300 1 145 19 19 MET CB C 32.445 0.300 1 146 19 19 MET CE C 16.957 0.300 1 147 19 19 MET CG C 32.920 0.300 1 148 19 19 MET N N 119.982 0.300 1 149 20 20 ASP H H 8.435 0.030 1 150 20 20 ASP HA H 4.453 0.030 1 151 20 20 ASP HB2 H 2.919 0.030 2 152 20 20 ASP HB3 H 2.717 0.030 2 153 20 20 ASP C C 179.127 0.300 1 154 20 20 ASP CA C 57.449 0.300 1 155 20 20 ASP CB C 39.986 0.300 1 156 20 20 ASP N N 120.434 0.300 1 157 21 21 GLU H H 8.150 0.030 1 158 21 21 GLU HA H 4.168 0.030 1 159 21 21 GLU HB2 H 2.254 0.030 1 160 21 21 GLU HB3 H 2.254 0.030 1 161 21 21 GLU HG2 H 2.464 0.030 1 162 21 21 GLU HG3 H 2.464 0.030 1 163 21 21 GLU C C 179.405 0.300 1 164 21 21 GLU CA C 59.477 0.300 1 165 21 21 GLU CB C 29.441 0.300 1 166 21 21 GLU CG C 36.195 0.300 1 167 21 21 GLU N N 122.159 0.300 1 168 22 22 VAL H H 8.754 0.030 1 169 22 22 VAL HA H 3.484 0.030 1 170 22 22 VAL HB H 2.364 0.030 1 171 22 22 VAL HG1 H 1.018 0.030 1 172 22 22 VAL HG2 H 0.924 0.030 1 173 22 22 VAL C C 179.177 0.300 1 174 22 22 VAL CA C 67.545 0.300 1 175 22 22 VAL CB C 31.712 0.300 1 176 22 22 VAL CG1 C 24.846 0.300 2 177 22 22 VAL CG2 C 21.921 0.300 2 178 22 22 VAL N N 121.967 0.300 1 179 23 23 THR H H 8.410 0.030 1 180 23 23 THR HA H 3.888 0.030 1 181 23 23 THR HB H 4.345 0.030 1 182 23 23 THR HG2 H 1.232 0.030 1 183 23 23 THR C C 176.515 0.300 1 184 23 23 THR CA C 66.706 0.300 1 185 23 23 THR CB C 68.646 0.300 1 186 23 23 THR CG2 C 21.937 0.300 1 187 23 23 THR N N 119.619 0.300 1 188 24 24 LYS H H 8.179 0.030 1 189 24 24 LYS HA H 4.055 0.030 1 190 24 24 LYS HB2 H 1.929 0.030 2 191 24 24 LYS HD2 H 1.704 0.030 2 192 24 24 LYS HE2 H 2.930 0.030 2 193 24 24 LYS HG2 H 1.397 0.030 2 194 24 24 LYS HG3 H 1.586 0.030 2 195 24 24 LYS C C 179.223 0.300 1 196 24 24 LYS CA C 59.865 0.300 1 197 24 24 LYS CB C 32.733 0.300 1 198 24 24 LYS CD C 29.684 0.300 1 199 24 24 LYS CE C 41.799 0.300 1 200 24 24 LYS CG C 25.069 0.300 1 201 24 24 LYS N N 122.464 0.300 1 202 25 25 GLN H H 8.791 0.030 1 203 25 25 GLN HA H 4.266 0.030 1 204 25 25 GLN HB2 H 2.253 0.030 2 205 25 25 GLN HB3 H 1.937 0.030 2 206 25 25 GLN HE21 H 8.797 0.030 2 207 25 25 GLN HE22 H 7.256 0.030 2 208 25 25 GLN HG2 H 2.333 0.030 2 209 25 25 GLN HG3 H 2.190 0.030 2 210 25 25 GLN C C 178.359 0.300 1 211 25 25 GLN CA C 57.273 0.300 1 212 25 25 GLN CB C 26.830 0.300 1 213 25 25 GLN CG C 32.239 0.300 1 214 25 25 GLN N N 120.181 0.300 1 215 25 25 GLN NE2 N 114.424 0.300 1 216 26 26 GLY H H 8.828 0.030 1 217 26 26 GLY HA2 H 4.099 0.030 2 218 26 26 GLY HA3 H 3.788 0.030 2 219 26 26 GLY C C 176.618 0.300 1 220 26 26 GLY CA C 47.161 0.300 1 221 26 26 GLY N N 108.597 0.300 1 222 27 27 ASN H H 7.910 0.030 1 223 27 27 ASN HA H 4.582 0.030 1 224 27 27 ASN HB2 H 3.050 0.030 2 225 27 27 ASN HB3 H 2.914 0.030 2 226 27 27 ASN HD21 H 7.653 0.030 2 227 27 27 ASN HD22 H 6.992 0.030 2 228 27 27 ASN C C 177.317 0.300 1 229 27 27 ASN CA C 56.074 0.300 1 230 27 27 ASN CB C 37.729 0.300 1 231 27 27 ASN N N 121.818 0.300 1 232 27 27 ASN ND2 N 112.814 0.300 1 233 28 28 ILE H H 7.811 0.030 1 234 28 28 ILE HA H 3.789 0.030 1 235 28 28 ILE HB H 2.101 0.030 1 236 28 28 ILE HD1 H 0.867 0.030 1 237 28 28 ILE HG12 H 1.707 0.030 2 238 28 28 ILE HG13 H 1.193 0.030 2 239 28 28 ILE HG2 H 0.887 0.030 1 240 28 28 ILE C C 178.445 0.300 1 241 28 28 ILE CA C 65.117 0.300 1 242 28 28 ILE CB C 37.914 0.300 1 243 28 28 ILE CD1 C 13.126 0.300 1 244 28 28 ILE CG1 C 29.363 0.300 1 245 28 28 ILE CG2 C 16.438 0.300 1 246 28 28 ILE N N 123.083 0.300 1 247 29 29 VAL H H 8.018 0.030 1 248 29 29 VAL HA H 3.399 0.030 1 249 29 29 VAL HB H 2.204 0.030 1 250 29 29 VAL HG1 H 1.082 0.030 1 251 29 29 VAL HG2 H 0.924 0.030 1 252 29 29 VAL C C 176.953 0.300 1 253 29 29 VAL CA C 67.541 0.300 1 254 29 29 VAL CB C 32.013 0.300 1 255 29 29 VAL CG1 C 24.256 0.300 2 256 29 29 VAL CG2 C 22.020 0.300 2 257 29 29 VAL N N 119.117 0.300 1 258 30 30 ARG H H 7.965 0.030 1 259 30 30 ARG HA H 3.928 0.030 1 260 30 30 ARG HB2 H 2.000 0.030 1 261 30 30 ARG HB3 H 2.000 0.030 1 262 30 30 ARG HD2 H 3.277 0.030 1 263 30 30 ARG HD3 H 3.277 0.030 1 264 30 30 ARG HG2 H 1.792 0.030 2 265 30 30 ARG HG3 H 1.599 0.030 2 266 30 30 ARG C C 179.609 0.300 1 267 30 30 ARG CA C 60.006 0.300 1 268 30 30 ARG CB C 30.302 0.300 1 269 30 30 ARG CD C 43.287 0.300 1 270 30 30 ARG CG C 27.525 0.300 1 271 30 30 ARG N N 118.510 0.300 1 272 31 31 GLU H H 8.211 0.030 1 273 31 31 GLU HA H 4.167 0.030 1 274 31 31 GLU HB2 H 2.091 0.030 1 275 31 31 GLU HB3 H 2.091 0.030 1 276 31 31 GLU HG2 H 2.362 0.030 2 277 31 31 GLU HG3 H 2.300 0.030 2 278 31 31 GLU C C 178.910 0.300 1 279 31 31 GLU CA C 59.195 0.300 1 280 31 31 GLU CB C 29.437 0.300 1 281 31 31 GLU CG C 36.205 0.300 1 282 31 31 GLU N N 120.110 0.300 1 283 32 32 LEU H H 8.287 0.030 1 284 32 32 LEU HA H 4.021 0.030 1 285 32 32 LEU HB2 H 1.933 0.030 2 286 32 32 LEU HB3 H 1.302 0.030 2 287 32 32 LEU HD1 H 0.820 0.030 1 288 32 32 LEU HD2 H 0.794 0.030 1 289 32 32 LEU HG H 1.887 0.030 1 290 32 32 LEU C C 179.931 0.300 1 291 32 32 LEU CA C 57.979 0.300 1 292 32 32 LEU CB C 42.524 0.300 1 293 32 32 LEU CD1 C 26.907 0.300 2 294 32 32 LEU CD2 C 22.699 0.300 2 295 32 32 LEU CG C 26.965 0.300 1 296 32 32 LEU N N 120.148 0.300 1 297 33 33 LYS H H 8.205 0.030 1 298 33 33 LYS HA H 4.048 0.030 1 299 33 33 LYS HB2 H 1.869 0.030 1 300 33 33 LYS HB3 H 1.869 0.030 1 301 33 33 LYS HD2 H 1.633 0.030 1 302 33 33 LYS HD3 H 1.633 0.030 1 303 33 33 LYS HE2 H 2.886 0.030 2 304 33 33 LYS HE3 H 2.752 0.030 2 305 33 33 LYS HG2 H 1.719 0.030 2 306 33 33 LYS HG3 H 1.408 0.030 2 307 33 33 LYS C C 180.739 0.300 1 308 33 33 LYS CA C 59.883 0.300 1 309 33 33 LYS CB C 32.569 0.300 1 310 33 33 LYS CD C 29.846 0.300 1 311 33 33 LYS CE C 41.809 0.300 1 312 33 33 LYS CG C 26.635 0.300 1 313 33 33 LYS N N 117.234 0.300 1 314 34 34 ALA H H 8.101 0.030 1 315 34 34 ALA HA H 4.185 0.030 1 316 34 34 ALA HB H 1.568 0.030 1 317 34 34 ALA C C 179.304 0.300 1 318 34 34 ALA CA C 54.734 0.300 1 319 34 34 ALA CB C 18.190 0.300 1 320 34 34 ALA N N 123.540 0.300 1 321 35 35 GLN H H 7.815 0.030 1 322 35 35 GLN HA H 4.299 0.030 1 323 35 35 GLN HB2 H 2.252 0.030 2 324 35 35 GLN HB3 H 2.072 0.030 2 325 35 35 GLN HE21 H 7.466 0.030 2 326 35 35 GLN HE22 H 6.791 0.030 2 327 35 35 GLN HG2 H 2.531 0.030 1 328 35 35 GLN HG3 H 2.531 0.030 1 329 35 35 GLN C C 175.344 0.300 1 330 35 35 GLN CA C 55.342 0.300 1 331 35 35 GLN CB C 28.819 0.300 1 332 35 35 GLN CG C 33.788 0.300 1 333 35 35 GLN N N 115.126 0.300 1 334 35 35 GLN NE2 N 111.416 0.300 1 335 36 36 LYS H H 7.948 0.030 1 336 36 36 LYS HA H 3.963 0.030 1 337 36 36 LYS HB2 H 2.050 0.030 2 338 36 36 LYS HB3 H 1.869 0.030 2 339 36 36 LYS HD2 H 1.728 0.030 2 340 36 36 LYS HD3 H 1.668 0.030 2 341 36 36 LYS HE2 H 3.031 0.030 2 342 36 36 LYS HG2 H 1.388 0.030 1 343 36 36 LYS HG3 H 1.388 0.030 1 344 36 36 LYS C C 175.883 0.300 1 345 36 36 LYS CA C 56.872 0.300 1 346 36 36 LYS CB C 28.917 0.300 1 347 36 36 LYS CD C 29.045 0.300 1 348 36 36 LYS CE C 42.252 0.300 1 349 36 36 LYS CG C 24.987 0.300 1 350 36 36 LYS N N 117.310 0.300 1 351 37 37 ALA H H 7.646 0.030 1 352 37 37 ALA HA H 4.226 0.030 1 353 37 37 ALA HB H 1.352 0.030 1 354 37 37 ALA C C 176.094 0.300 1 355 37 37 ALA CA C 52.143 0.300 1 356 37 37 ALA CB C 20.742 0.300 1 357 37 37 ALA N N 120.112 0.300 1 358 38 38 ASP H H 8.474 0.030 1 359 38 38 ASP HA H 4.387 0.030 1 360 38 38 ASP HB2 H 2.809 0.030 2 361 38 38 ASP HB3 H 2.709 0.030 2 362 38 38 ASP C C 177.481 0.300 1 363 38 38 ASP CA C 54.992 0.300 1 364 38 38 ASP CB C 43.156 0.300 1 365 38 38 ASP N N 119.141 0.300 1 366 39 39 LYS H H 8.703 0.030 1 367 39 39 LYS HA H 3.967 0.030 1 368 39 39 LYS HB2 H 1.911 0.030 1 369 39 39 LYS HB3 H 1.911 0.030 1 370 39 39 LYS HD2 H 1.704 0.030 2 371 39 39 LYS HE2 H 3.011 0.030 2 372 39 39 LYS HG2 H 1.491 0.030 1 373 39 39 LYS HG3 H 1.491 0.030 1 374 39 39 LYS C C 178.806 0.300 1 375 39 39 LYS CA C 59.547 0.300 1 376 39 39 LYS CB C 32.222 0.300 1 377 39 39 LYS CD C 29.437 0.300 1 378 39 39 LYS CE C 42.047 0.300 1 379 39 39 LYS CG C 24.245 0.300 1 380 39 39 LYS N N 124.290 0.300 1 381 40 40 ASN H H 8.873 0.030 1 382 40 40 ASN HA H 4.571 0.030 1 383 40 40 ASN HB2 H 2.957 0.030 2 384 40 40 ASN HB3 H 2.759 0.030 2 385 40 40 ASN HD21 H 7.974 0.030 2 386 40 40 ASN HD22 H 7.059 0.030 2 387 40 40 ASN C C 178.014 0.300 1 388 40 40 ASN CA C 56.091 0.300 1 389 40 40 ASN CB C 37.900 0.300 1 390 40 40 ASN N N 119.722 0.300 1 391 40 40 ASN ND2 N 114.890 0.300 1 392 41 41 GLU H H 7.881 0.030 1 393 41 41 GLU HA H 4.192 0.030 1 394 41 41 GLU HB2 H 2.204 0.030 1 395 41 41 GLU HB3 H 2.204 0.030 1 396 41 41 GLU HG2 H 2.393 0.030 2 397 41 41 GLU HG3 H 2.215 0.030 2 398 41 41 GLU C C 178.917 0.300 1 399 41 41 GLU CA C 59.213 0.300 1 400 41 41 GLU CB C 29.520 0.300 1 401 41 41 GLU CG C 36.360 0.300 1 402 41 41 GLU N N 124.025 0.300 1 403 42 42 VAL H H 8.061 0.030 1 404 42 42 VAL HA H 3.397 0.030 1 405 42 42 VAL HB H 2.001 0.030 1 406 42 42 VAL HG1 H 0.900 0.030 1 407 42 42 VAL HG2 H 0.925 0.030 1 408 42 42 VAL C C 177.701 0.300 1 409 42 42 VAL CA C 67.341 0.300 1 410 42 42 VAL CB C 32.075 0.300 1 411 42 42 VAL CG1 C 23.382 0.300 2 412 42 42 VAL CG2 C 21.855 0.300 2 413 42 42 VAL N N 117.921 0.300 1 414 43 43 ALA H H 8.136 0.030 1 415 43 43 ALA HA H 4.101 0.030 1 416 43 43 ALA HB H 1.523 0.030 1 417 43 43 ALA C C 180.808 0.300 1 418 43 43 ALA CA C 55.404 0.300 1 419 43 43 ALA CB C 17.722 0.300 1 420 43 43 ALA N N 119.833 0.300 1 421 44 44 ALA H H 7.664 0.030 1 422 44 44 ALA HA H 4.234 0.030 1 423 44 44 ALA HB H 1.541 0.030 1 424 44 44 ALA C C 180.953 0.300 1 425 44 44 ALA CA C 55.122 0.300 1 426 44 44 ALA CB C 18.229 0.300 1 427 44 44 ALA N N 121.026 0.300 1 428 45 45 GLU H H 7.837 0.030 1 429 45 45 GLU HA H 4.447 0.030 1 430 45 45 GLU HB2 H 1.955 0.030 2 431 45 45 GLU HB3 H 1.872 0.030 2 432 45 45 GLU HG2 H 2.590 0.030 2 433 45 45 GLU HG3 H 2.257 0.030 2 434 45 45 GLU C C 180.357 0.300 1 435 45 45 GLU CA C 57.467 0.300 1 436 45 45 GLU CB C 28.255 0.300 1 437 45 45 GLU CG C 34.478 0.300 1 438 45 45 GLU N N 118.409 0.300 1 439 46 46 VAL H H 9.024 0.030 1 440 46 46 VAL HA H 3.638 0.030 1 441 46 46 VAL HB H 2.197 0.030 1 442 46 46 VAL HG1 H 1.096 0.030 1 443 46 46 VAL HG2 H 0.975 0.030 1 444 46 46 VAL C C 177.712 0.300 1 445 46 46 VAL CA C 66.961 0.300 1 446 46 46 VAL CB C 31.910 0.300 1 447 46 46 VAL CG1 C 24.481 0.300 2 448 46 46 VAL CG2 C 21.132 0.300 2 449 46 46 VAL N N 124.975 0.300 1 450 47 47 ALA H H 8.130 0.030 1 451 47 47 ALA HA H 4.093 0.030 1 452 47 47 ALA HB H 1.523 0.030 1 453 47 47 ALA C C 180.853 0.300 1 454 47 47 ALA CA C 55.545 0.300 1 455 47 47 ALA CB C 17.683 0.300 1 456 47 47 ALA N N 122.493 0.300 1 457 48 48 LYS H H 7.442 0.030 1 458 48 48 LYS HA H 4.183 0.030 1 459 48 48 LYS HB2 H 1.918 0.030 1 460 48 48 LYS HB3 H 1.918 0.030 1 461 48 48 LYS HD2 H 1.730 0.030 1 462 48 48 LYS HD3 H 1.730 0.030 1 463 48 48 LYS HE2 H 2.873 0.030 1 464 48 48 LYS HE3 H 2.873 0.030 1 465 48 48 LYS HG2 H 1.623 0.030 2 466 48 48 LYS HG3 H 1.293 0.030 2 467 48 48 LYS C C 178.698 0.300 1 468 48 48 LYS CA C 59.389 0.300 1 469 48 48 LYS CB C 32.610 0.300 1 470 48 48 LYS CD C 29.552 0.300 1 471 48 48 LYS CE C 42.047 0.300 1 472 48 48 LYS CG C 25.256 0.300 1 473 48 48 LYS N N 118.186 0.300 1 474 49 49 LEU H H 7.822 0.030 1 475 49 49 LEU HA H 4.012 0.030 1 476 49 49 LEU HB2 H 2.585 0.030 2 477 49 49 LEU HB3 H 1.459 0.030 2 478 49 49 LEU HD1 H 1.006 0.030 1 479 49 49 LEU HD2 H 1.051 0.030 1 480 49 49 LEU HG H 1.567 0.030 1 481 49 49 LEU C C 177.582 0.300 1 482 49 49 LEU CA C 58.490 0.300 1 483 49 49 LEU CB C 42.119 0.300 1 484 49 49 LEU CD1 C 23.916 0.300 2 485 49 49 LEU CD2 C 26.636 0.300 2 486 49 49 LEU CG C 27.123 0.300 1 487 49 49 LEU N N 120.499 0.300 1 488 50 50 LEU H H 8.565 0.030 1 489 50 50 LEU HA H 3.994 0.030 1 490 50 50 LEU HB2 H 1.899 0.030 2 491 50 50 LEU HB3 H 1.609 0.030 2 492 50 50 LEU HD1 H 0.870 0.030 1 493 50 50 LEU HD2 H 0.920 0.030 1 494 50 50 LEU HG H 1.884 0.030 1 495 50 50 LEU C C 180.128 0.300 1 496 50 50 LEU CA C 58.330 0.300 1 497 50 50 LEU CB C 41.060 0.300 1 498 50 50 LEU CD1 C 22.783 0.300 2 499 50 50 LEU CD2 C 25.016 0.300 2 500 50 50 LEU CG C 26.965 0.300 1 501 50 50 LEU N N 118.622 0.300 1 502 51 51 ASP H H 7.962 0.030 1 503 51 51 ASP HA H 4.480 0.030 1 504 51 51 ASP HB2 H 2.795 0.030 1 505 51 51 ASP HB3 H 2.795 0.030 1 506 51 51 ASP C C 178.808 0.300 1 507 51 51 ASP CA C 57.802 0.300 1 508 51 51 ASP CB C 41.435 0.300 1 509 51 51 ASP N N 120.483 0.300 1 510 52 52 LEU H H 8.228 0.030 1 511 52 52 LEU HA H 4.006 0.030 1 512 52 52 LEU HB2 H 2.080 0.030 2 513 52 52 LEU HB3 H 1.370 0.030 2 514 52 52 LEU HD1 H 0.820 0.030 1 515 52 52 LEU HD2 H 0.857 0.030 1 516 52 52 LEU HG H 1.884 0.030 1 517 52 52 LEU C C 179.173 0.300 1 518 52 52 LEU CA C 58.190 0.300 1 519 52 52 LEU CB C 43.222 0.300 1 520 52 52 LEU CD1 C 26.691 0.300 2 521 52 52 LEU CD2 C 22.514 0.300 2 522 52 52 LEU CG C 26.887 0.300 1 523 52 52 LEU N N 121.105 0.300 1 524 53 53 LYS H H 8.531 0.030 1 525 53 53 LYS HA H 3.872 0.030 1 526 53 53 LYS HB2 H 1.956 0.030 2 527 53 53 LYS HB3 H 1.882 0.030 2 528 53 53 LYS HD2 H 1.634 0.030 1 529 53 53 LYS HD3 H 1.634 0.030 1 530 53 53 LYS HE2 H 2.885 0.030 2 531 53 53 LYS HE3 H 2.750 0.030 2 532 53 53 LYS HG2 H 1.829 0.030 2 533 53 53 LYS HG3 H 1.436 0.030 2 534 53 53 LYS C C 179.984 0.300 1 535 53 53 LYS CA C 60.699 0.300 1 536 53 53 LYS CB C 32.239 0.300 1 537 53 53 LYS CD C 29.767 0.300 1 538 53 53 LYS CE C 41.816 0.300 1 539 53 53 LYS CG C 26.965 0.300 1 540 53 53 LYS N N 118.013 0.300 1 541 54 54 LYS H H 8.090 0.030 1 542 54 54 LYS HA H 4.165 0.030 1 543 54 54 LYS HB2 H 2.064 0.030 1 544 54 54 LYS HB3 H 2.064 0.030 1 545 54 54 LYS HD2 H 1.713 0.030 2 546 54 54 LYS HD3 H 1.622 0.030 2 547 54 54 LYS HE2 H 2.939 0.030 2 548 54 54 LYS HG2 H 1.631 0.030 2 549 54 54 LYS HG3 H 1.445 0.030 2 550 54 54 LYS C C 178.638 0.300 1 551 54 54 LYS CA C 59.847 0.300 1 552 54 54 LYS CB C 32.116 0.300 1 553 54 54 LYS CD C 29.602 0.300 1 554 54 54 LYS CE C 42.193 0.300 1 555 54 54 LYS CG C 25.029 0.300 1 556 54 54 LYS N N 122.616 0.300 1 557 55 55 GLN H H 8.214 0.030 1 558 55 55 GLN HA H 3.976 0.030 1 559 55 55 GLN HB2 H 2.280 0.030 2 560 55 55 GLN HB3 H 2.152 0.030 2 561 55 55 GLN HE21 H 7.327 0.030 2 562 55 55 GLN HE22 H 6.807 0.030 2 563 55 55 GLN HG2 H 2.641 0.030 2 564 55 55 GLN HG3 H 2.317 0.030 2 565 55 55 GLN C C 179.696 0.300 1 566 55 55 GLN CA C 59.177 0.300 1 567 55 55 GLN CB C 29.400 0.300 1 568 55 55 GLN CG C 34.531 0.300 1 569 55 55 GLN N N 119.132 0.300 1 570 55 55 GLN NE2 N 112.125 0.300 1 571 56 56 LEU H H 8.506 0.030 1 572 56 56 LEU HA H 4.116 0.030 1 573 56 56 LEU HB2 H 2.021 0.030 2 574 56 56 LEU HB3 H 1.393 0.030 2 575 56 56 LEU HD1 H 0.943 0.030 1 576 56 56 LEU HD2 H 0.974 0.030 1 577 56 56 LEU HG H 1.650 0.030 1 578 56 56 LEU C C 176.782 0.300 1 579 56 56 LEU CA C 57.925 0.300 1 580 56 56 LEU CB C 41.465 0.300 1 581 56 56 LEU CD1 C 27.047 0.300 2 582 56 56 LEU CD2 C 24.143 0.300 2 583 56 56 LEU CG C 27.130 0.300 1 584 56 56 LEU N N 122.033 0.300 1 585 57 57 ALA H H 7.896 0.030 1 586 57 57 ALA HA H 4.232 0.030 1 587 57 57 ALA HB H 1.521 0.030 1 588 57 57 ALA C C 180.928 0.300 1 589 57 57 ALA CA C 55.246 0.300 1 590 57 57 ALA CB C 17.776 0.300 1 591 57 57 ALA N N 121.379 0.300 1 592 58 58 VAL H H 7.973 0.030 1 593 58 58 VAL HA H 3.761 0.030 1 594 58 58 VAL HB H 2.134 0.030 1 595 58 58 VAL HG1 H 1.084 0.030 1 596 58 58 VAL HG2 H 0.950 0.030 1 597 58 58 VAL C C 179.410 0.300 1 598 58 58 VAL CA C 65.807 0.300 1 599 58 58 VAL CB C 31.978 0.300 1 600 58 58 VAL CG1 C 22.592 0.300 2 601 58 58 VAL CG2 C 21.173 0.300 2 602 58 58 VAL N N 117.592 0.300 1 603 59 59 ALA H H 8.024 0.030 1 604 59 59 ALA HA H 4.133 0.030 1 605 59 59 ALA HB H 1.447 0.030 1 606 59 59 ALA C C 179.359 0.300 1 607 59 59 ALA CA C 54.805 0.300 1 608 59 59 ALA CB C 18.513 0.300 1 609 59 59 ALA N N 124.023 0.300 1 610 60 60 GLU H H 8.334 0.030 1 611 60 60 GLU HA H 4.143 0.030 1 612 60 60 GLU HB2 H 2.154 0.030 2 613 60 60 GLU HB3 H 2.056 0.030 2 614 60 60 GLU HG2 H 2.506 0.030 2 615 60 60 GLU HG3 H 2.127 0.030 2 616 60 60 GLU C C 177.391 0.300 1 617 60 60 GLU CA C 57.915 0.300 1 618 60 60 GLU CB C 30.962 0.300 1 619 60 60 GLU CG C 37.479 0.300 1 620 60 60 GLU N N 115.335 0.300 1 621 61 61 GLY H H 7.845 0.030 1 622 61 61 GLY HA2 H 3.958 0.030 1 623 61 61 GLY HA3 H 3.958 0.030 1 624 61 61 GLY C C 174.090 0.300 1 625 61 61 GLY CA C 45.654 0.300 1 626 61 61 GLY N N 107.486 0.300 1 627 62 62 LYS H H 8.068 0.030 1 628 62 62 LYS HA H 4.612 0.030 1 629 62 62 LYS HB2 H 1.813 0.030 2 630 62 62 LYS HB3 H 1.688 0.030 2 631 62 62 LYS HD2 H 1.686 0.030 1 632 62 62 LYS HD3 H 1.686 0.030 1 633 62 62 LYS HE2 H 2.969 0.030 1 634 62 62 LYS HE3 H 2.969 0.030 1 635 62 62 LYS HG2 H 1.449 0.030 1 636 62 62 LYS HG3 H 1.449 0.030 1 637 62 62 LYS C C 174.023 0.300 1 638 62 62 LYS CA C 54.147 0.300 1 639 62 62 LYS CB C 32.651 0.300 1 640 62 62 LYS CD C 29.365 0.300 1 641 62 62 LYS CE C 42.263 0.300 1 642 62 62 LYS CG C 24.659 0.300 1 643 62 62 LYS N N 121.672 0.300 1 644 63 63 PRO HA H 4.692 0.030 1 645 63 63 PRO HB2 H 2.347 0.030 2 646 63 63 PRO HB3 H 1.912 0.030 2 647 63 63 PRO HD2 H 3.833 0.030 2 648 63 63 PRO HD3 H 3.595 0.030 2 649 63 63 PRO HG2 H 2.043 0.030 1 650 63 63 PRO HG3 H 2.043 0.030 1 651 63 63 PRO CA C 61.351 0.300 1 652 63 63 PRO CB C 30.892 0.300 1 653 63 63 PRO CD C 50.542 0.300 1 654 63 63 PRO CG C 27.448 0.300 1 655 64 64 PRO HA H 4.408 0.030 1 656 64 64 PRO HB2 H 2.290 0.030 2 657 64 64 PRO HB3 H 1.908 0.030 2 658 64 64 PRO HD2 H 3.809 0.030 2 659 64 64 PRO HD3 H 3.660 0.030 2 660 64 64 PRO HG2 H 2.031 0.030 1 661 64 64 PRO HG3 H 2.031 0.030 1 662 64 64 PRO C C 176.775 0.300 1 663 64 64 PRO CA C 62.926 0.300 1 664 64 64 PRO CB C 32.074 0.300 1 665 64 64 PRO CD C 50.535 0.300 1 666 64 64 PRO CG C 27.459 0.300 1 667 65 65 GLU H H 8.396 0.030 1 668 65 65 GLU HA H 4.243 0.030 1 669 65 65 GLU HB2 H 1.992 0.030 2 670 65 65 GLU HB3 H 1.902 0.030 2 671 65 65 GLU HG2 H 2.263 0.030 1 672 65 65 GLU HG3 H 2.263 0.030 1 673 65 65 GLU C C 175.888 0.300 1 674 65 65 GLU CA C 56.083 0.300 1 675 65 65 GLU CB C 30.722 0.300 1 676 65 65 GLU CG C 36.360 0.300 1 677 65 65 GLU N N 121.093 0.300 1 678 66 66 ALA H H 8.434 0.030 1 679 66 66 ALA HA H 4.583 0.030 1 680 66 66 ALA HB H 1.354 0.030 1 681 66 66 ALA C C 175.504 0.300 1 682 66 66 ALA CA C 50.482 0.300 1 683 66 66 ALA CB C 18.108 0.300 1 684 66 66 ALA N N 127.348 0.300 1 685 67 67 PRO HA H 4.408 0.030 1 686 67 67 PRO HB2 H 2.299 0.030 2 687 67 67 PRO HB3 H 1.875 0.030 2 688 67 67 PRO HD2 H 3.804 0.030 2 689 67 67 PRO HD3 H 3.597 0.030 2 690 67 67 PRO HG2 H 2.019 0.030 1 691 67 67 PRO HG3 H 2.019 0.030 1 692 67 67 PRO C C 177.111 0.300 1 693 67 67 PRO CA C 63.056 0.300 1 694 67 67 PRO CB C 32.074 0.300 1 695 67 67 PRO CD C 50.535 0.300 1 696 67 67 PRO CG C 27.624 0.300 1 697 68 68 LYS H H 8.479 0.030 1 698 68 68 LYS HA H 4.291 0.030 1 699 68 68 LYS HB2 H 1.803 0.030 1 700 68 68 LYS HB3 H 1.803 0.030 1 701 68 68 LYS HD2 H 1.693 0.030 1 702 68 68 LYS HD3 H 1.693 0.030 1 703 68 68 LYS HE2 H 3.002 0.030 1 704 68 68 LYS HE3 H 3.002 0.030 1 705 68 68 LYS HG2 H 1.478 0.030 1 706 68 68 LYS HG3 H 1.478 0.030 1 707 68 68 LYS C C 177.292 0.300 1 708 68 68 LYS CA C 56.322 0.300 1 709 68 68 LYS CB C 33.146 0.300 1 710 68 68 LYS CD C 29.190 0.300 1 711 68 68 LYS CE C 42.129 0.300 1 712 68 68 LYS CG C 24.839 0.300 1 713 68 68 LYS N N 121.836 0.300 1 714 69 69 GLY H H 8.387 0.030 1 715 69 69 GLY HA2 H 3.948 0.030 1 716 69 69 GLY HA3 H 3.948 0.030 1 717 69 69 GLY C C 173.940 0.300 1 718 69 69 GLY CA C 45.160 0.300 1 719 69 69 GLY N N 109.796 0.300 1 720 70 70 LYS H H 8.196 0.030 1 721 70 70 LYS HA H 4.318 0.030 1 722 70 70 LYS HB2 H 1.812 0.030 1 723 70 70 LYS HB3 H 1.812 0.030 1 724 70 70 LYS HD2 H 1.668 0.030 1 725 70 70 LYS HD3 H 1.668 0.030 1 726 70 70 LYS HE2 H 2.984 0.030 1 727 70 70 LYS HE3 H 2.984 0.030 1 728 70 70 LYS HG2 H 1.397 0.030 1 729 70 70 LYS HG3 H 1.397 0.030 1 730 70 70 LYS C C 176.642 0.300 1 731 70 70 LYS CA C 56.127 0.300 1 732 70 70 LYS CB C 33.272 0.300 1 733 70 70 LYS CD C 29.190 0.300 1 734 70 70 LYS CE C 42.212 0.300 1 735 70 70 LYS CG C 24.740 0.300 1 736 70 70 LYS N N 121.044 0.300 1 737 71 71 LYS H H 8.348 0.030 1 738 71 71 LYS HA H 4.273 0.030 1 739 71 71 LYS HB2 H 1.749 0.030 1 740 71 71 LYS HB3 H 1.749 0.030 1 741 71 71 LYS HD2 H 1.695 0.030 1 742 71 71 LYS HD3 H 1.695 0.030 1 743 71 71 LYS HE2 H 2.993 0.030 1 744 71 71 LYS HE3 H 2.993 0.030 1 745 71 71 LYS HG2 H 1.424 0.030 1 746 71 71 LYS HG3 H 1.424 0.030 1 747 71 71 LYS C C 176.548 0.300 1 748 71 71 LYS CA C 56.285 0.300 1 749 71 71 LYS CB C 33.270 0.300 1 750 71 71 LYS CD C 29.190 0.300 1 751 71 71 LYS CE C 42.129 0.300 1 752 71 71 LYS CG C 24.822 0.300 1 753 71 71 LYS N N 123.152 0.300 1 754 72 72 LYS H H 8.405 0.030 1 755 72 72 LYS HA H 4.273 0.030 1 756 72 72 LYS C C 176.499 0.300 1 757 72 72 LYS CA C 56.356 0.300 1 758 72 72 LYS CB C 33.146 0.300 1 759 72 72 LYS N N 123.826 0.300 1 stop_ save_