data_10290 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the homeobox domain of human Homeobox protein DLX-5 ; _BMRB_accession_number 10290 _BMRB_flat_file_name bmr10290.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _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 Sasagawa A. . . 2 Ohnishi S. . . 3 Tochio N. . . 4 Saito K. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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" 369 "13C chemical shifts" 280 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The solution structure of the homeobox domain of human Homeobox protein DLX-5' _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 Sasagawa A. . . 2 Ohnishi S. . . 3 Tochio N. . . 4 Saito K. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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 'Homeobox protein DLX-5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'homeobox 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 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGRKPRTIYSSFQLA ALQRRFQKTQYLALPERAEL AASLGLTQTQVKIWFQNKRS KIKKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 LYS 10 PRO 11 ARG 12 THR 13 ILE 14 TYR 15 SER 16 SER 17 PHE 18 GLN 19 LEU 20 ALA 21 ALA 22 LEU 23 GLN 24 ARG 25 ARG 26 PHE 27 GLN 28 LYS 29 THR 30 GLN 31 TYR 32 LEU 33 ALA 34 LEU 35 PRO 36 GLU 37 ARG 38 ALA 39 GLU 40 LEU 41 ALA 42 ALA 43 SER 44 LEU 45 GLY 46 LEU 47 THR 48 GLN 49 THR 50 GLN 51 VAL 52 LYS 53 ILE 54 TRP 55 PHE 56 GLN 57 ASN 58 LYS 59 ARG 60 SER 61 LYS 62 ILE 63 LYS 64 LYS 65 SER 66 GLY 67 PRO 68 SER 69 SER 70 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2DJN "The Solution Structure Of The Homeobox Domain Of Human Homeobox Protein Dlx-5" 100.00 70 100.00 100.00 5.46e-40 DBJ BAA06534 "Dlx-3 hoemeobox protein [Rattus norvegicus]" 81.43 289 100.00 100.00 1.94e-30 DBJ BAB14587 "unnamed protein product [Homo sapiens]" 81.43 289 100.00 100.00 2.52e-30 DBJ BAB69965 "distal-less homeobox protein 5 [Oryctolagus cuniculus]" 81.43 99 100.00 100.00 4.42e-31 DBJ BAB71722 "distal-less homeobox protein 5 [Rattus norvegicus]" 81.43 197 100.00 100.00 9.31e-31 DBJ BAE34656 "unnamed protein product [Mus musculus]" 81.43 289 100.00 100.00 2.17e-30 EMBL CAG09955 "unnamed protein product [Tetraodon nigroviridis]" 62.86 370 100.00 100.00 5.06e-19 EMBL CAJ82666 "distal-less homeo box 5 [Xenopus (Silurana) tropicalis]" 81.43 289 100.00 100.00 3.48e-30 GB AAA02622 "X-DLL3 [Xenopus laevis]" 81.43 298 100.00 100.00 3.01e-30 GB AAA02623 "X-DLL3 [Xenopus laevis]" 81.43 289 100.00 100.00 2.94e-30 GB AAA42026 "homeoprotein [Rattus norvegicus]" 81.43 289 100.00 100.00 2.20e-30 GB AAA96145 "distal-less-5 [Gallus gallus]" 81.43 286 100.00 100.00 3.56e-30 GB AAB30280 "homeobox DLX5 product [human, embryo, Peptide, 66 aa]" 81.43 66 100.00 100.00 5.73e-31 REF NP_001004778 "homeobox protein DLX-5 [Xenopus (Silurana) tropicalis]" 81.43 289 100.00 100.00 3.48e-30 REF NP_001068781 "homeobox protein DLX-5 [Bos taurus]" 81.43 289 100.00 100.00 2.17e-30 REF NP_001084033 "homeobox protein DLL-3 [Xenopus laevis]" 81.43 286 100.00 100.00 2.66e-30 REF NP_001153132 "homeobox protein DLX-5 [Sus scrofa]" 81.43 289 100.00 100.00 2.11e-30 REF NP_005212 "homeobox protein DLX-5 [Homo sapiens]" 81.43 289 100.00 100.00 2.52e-30 SP P50575 "RecName: Full=Homeobox protein DLX-5; AltName: Full=Homeobox protein DLX-3; AltName: Full=RDLX" 81.43 289 100.00 100.00 1.94e-30 SP P50577 "RecName: Full=Homeobox protein DLX-5; Short=cDlx" 81.43 286 100.00 100.00 3.56e-30 SP P54655 "RecName: Full=Homeobox protein DLL-3; Short=XDLL-3" 81.43 289 100.00 100.00 2.94e-30 SP P56178 "RecName: Full=Homeobox protein DLX-5" 81.43 289 100.00 100.00 2.52e-30 SP P70396 "RecName: Full=Homeobox protein DLX-5" 81.43 289 100.00 100.00 2.17e-30 TPG DAA30786 "TPA: distal-less homeobox 5 [Bos taurus]" 81.43 289 100.00 100.00 2.17e-30 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 P050509-13 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 1.35 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 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMNMRView _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 0.933 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 800 _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 298 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 'homeobox 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 8 8 ARG HA H 4.360 0.030 1 2 8 8 ARG HB2 H 1.805 0.030 1 3 8 8 ARG HB3 H 1.805 0.030 1 4 8 8 ARG HD2 H 3.217 0.030 1 5 8 8 ARG HD3 H 3.217 0.030 1 6 8 8 ARG HG2 H 1.644 0.030 2 7 8 8 ARG HG3 H 1.680 0.030 2 8 8 8 ARG C C 176.260 0.300 1 9 8 8 ARG CA C 55.966 0.300 1 10 8 8 ARG CB C 30.838 0.300 1 11 8 8 ARG CD C 43.413 0.300 1 12 8 8 ARG CG C 27.180 0.300 1 13 9 9 LYS H H 8.400 0.030 1 14 9 9 LYS C C 174.555 0.300 1 15 9 9 LYS CA C 54.274 0.300 1 16 9 9 LYS CB C 32.440 0.300 1 17 9 9 LYS N N 124.470 0.300 1 18 10 10 PRO HA H 4.441 0.030 1 19 10 10 PRO HB2 H 2.314 0.030 2 20 10 10 PRO HB3 H 1.901 0.030 2 21 10 10 PRO HD2 H 3.845 0.030 2 22 10 10 PRO HD3 H 3.652 0.030 2 23 10 10 PRO HG2 H 2.026 0.030 1 24 10 10 PRO HG3 H 2.026 0.030 1 25 10 10 PRO C C 176.789 0.300 1 26 10 10 PRO CA C 63.088 0.300 1 27 10 10 PRO CB C 32.156 0.300 1 28 10 10 PRO CD C 50.749 0.300 1 29 10 10 PRO CG C 27.427 0.300 1 30 11 11 ARG H H 8.471 0.030 1 31 11 11 ARG HA H 4.370 0.030 1 32 11 11 ARG HB2 H 1.894 0.030 1 33 11 11 ARG HB3 H 1.894 0.030 1 34 11 11 ARG HD2 H 3.207 0.030 1 35 11 11 ARG HD3 H 3.207 0.030 1 36 11 11 ARG C C 176.400 0.300 1 37 11 11 ARG CA C 56.439 0.300 1 38 11 11 ARG CB C 30.710 0.300 1 39 11 11 ARG CD C 43.934 0.300 1 40 11 11 ARG N N 121.881 0.300 1 41 12 12 THR HA H 4.270 0.030 1 42 12 12 THR HB H 4.063 0.030 1 43 12 12 THR HG2 H 1.019 0.030 1 44 12 12 THR C C 173.737 0.300 1 45 12 12 THR CA C 62.101 0.300 1 46 12 12 THR CB C 69.896 0.300 1 47 12 12 THR CG2 C 21.577 0.300 1 48 13 13 ILE H H 8.215 0.030 1 49 13 13 ILE HA H 4.063 0.030 1 50 13 13 ILE HB H 1.698 0.030 1 51 13 13 ILE HD1 H 0.775 0.030 1 52 13 13 ILE HG12 H 1.288 0.030 2 53 13 13 ILE HG13 H 1.045 0.030 2 54 13 13 ILE HG2 H 0.656 0.030 1 55 13 13 ILE C C 175.361 0.300 1 56 13 13 ILE CA C 61.109 0.300 1 57 13 13 ILE CB C 38.748 0.300 1 58 13 13 ILE CD1 C 12.768 0.300 1 59 13 13 ILE CG1 C 26.998 0.300 1 60 13 13 ILE CG2 C 17.247 0.300 1 61 13 13 ILE N N 124.648 0.300 1 62 14 14 TYR H H 7.928 0.030 1 63 14 14 TYR HA H 4.923 0.030 1 64 14 14 TYR HB2 H 2.756 0.030 2 65 14 14 TYR HB3 H 2.985 0.030 2 66 14 14 TYR HD1 H 7.014 0.030 1 67 14 14 TYR HD2 H 7.014 0.030 1 68 14 14 TYR HE1 H 6.732 0.030 1 69 14 14 TYR HE2 H 6.732 0.030 1 70 14 14 TYR C C 176.009 0.300 1 71 14 14 TYR CA C 56.425 0.300 1 72 14 14 TYR CB C 39.984 0.300 1 73 14 14 TYR CD1 C 133.071 0.300 1 74 14 14 TYR CD2 C 133.071 0.300 1 75 14 14 TYR CE1 C 117.917 0.300 1 76 14 14 TYR CE2 C 117.917 0.300 1 77 14 14 TYR N N 122.287 0.300 1 78 15 15 SER H H 9.368 0.030 1 79 15 15 SER HA H 4.639 0.030 1 80 15 15 SER HB2 H 4.054 0.030 2 81 15 15 SER HB3 H 4.470 0.030 2 82 15 15 SER C C 175.065 0.300 1 83 15 15 SER CA C 56.918 0.300 1 84 15 15 SER CB C 65.646 0.300 1 85 15 15 SER N N 119.482 0.300 1 86 16 16 SER HA H 4.181 0.030 1 87 16 16 SER HB2 H 4.001 0.030 1 88 16 16 SER HB3 H 4.001 0.030 1 89 16 16 SER CA C 62.192 0.300 1 90 16 16 SER CB C 62.188 0.300 1 91 17 17 PHE H H 7.815 0.030 1 92 17 17 PHE HA H 4.313 0.030 1 93 17 17 PHE HB2 H 2.954 0.030 2 94 17 17 PHE HB3 H 3.318 0.030 2 95 17 17 PHE HD1 H 7.213 0.030 1 96 17 17 PHE HD2 H 7.213 0.030 1 97 17 17 PHE HE1 H 7.366 0.030 1 98 17 17 PHE HE2 H 7.366 0.030 1 99 17 17 PHE HZ H 7.339 0.030 1 100 17 17 PHE C C 177.979 0.300 1 101 17 17 PHE CA C 60.981 0.300 1 102 17 17 PHE CB C 39.519 0.300 1 103 17 17 PHE CD1 C 131.945 0.300 1 104 17 17 PHE CD2 C 131.945 0.300 1 105 17 17 PHE CE1 C 131.733 0.300 1 106 17 17 PHE CE2 C 131.733 0.300 1 107 17 17 PHE CZ C 130.326 0.300 1 108 17 17 PHE N N 119.320 0.300 1 109 18 18 GLN H H 7.816 0.030 1 110 18 18 GLN HA H 3.720 0.030 1 111 18 18 GLN HB2 H 1.604 0.030 2 112 18 18 GLN HB3 H 2.668 0.030 2 113 18 18 GLN HE21 H 7.782 0.030 2 114 18 18 GLN HE22 H 6.922 0.030 2 115 18 18 GLN HG2 H 2.640 0.030 2 116 18 18 GLN HG3 H 2.469 0.030 2 117 18 18 GLN C C 177.456 0.300 1 118 18 18 GLN CA C 58.902 0.300 1 119 18 18 GLN CB C 28.118 0.300 1 120 18 18 GLN CG C 34.654 0.300 1 121 18 18 GLN N N 119.339 0.300 1 122 18 18 GLN NE2 N 111.014 0.300 1 123 19 19 LEU H H 8.583 0.030 1 124 19 19 LEU HA H 3.570 0.030 1 125 19 19 LEU HB2 H 1.691 0.030 2 126 19 19 LEU HB3 H 1.517 0.030 2 127 19 19 LEU HD1 H 0.923 0.030 1 128 19 19 LEU HD2 H 0.839 0.030 1 129 19 19 LEU HG H 1.626 0.030 1 130 19 19 LEU C C 178.761 0.300 1 131 19 19 LEU CA C 57.837 0.300 1 132 19 19 LEU CB C 41.883 0.300 1 133 19 19 LEU CD1 C 24.873 0.300 2 134 19 19 LEU CD2 C 23.851 0.300 2 135 19 19 LEU CG C 26.882 0.300 1 136 19 19 LEU N N 117.368 0.300 1 137 20 20 ALA H H 7.918 0.030 1 138 20 20 ALA HA H 4.019 0.030 1 139 20 20 ALA HB H 1.394 0.030 1 140 20 20 ALA C C 180.256 0.300 1 141 20 20 ALA CA C 54.944 0.300 1 142 20 20 ALA CB C 17.731 0.300 1 143 20 20 ALA N N 120.010 0.300 1 144 21 21 ALA H H 7.313 0.030 1 145 21 21 ALA HA H 3.945 0.030 1 146 21 21 ALA HB H 1.276 0.030 1 147 21 21 ALA C C 181.088 0.300 1 148 21 21 ALA CA C 54.749 0.300 1 149 21 21 ALA CB C 19.723 0.300 1 150 21 21 ALA N N 120.493 0.300 1 151 22 22 LEU H H 8.049 0.030 1 152 22 22 LEU HA H 3.507 0.030 1 153 22 22 LEU HB2 H -0.856 0.030 2 154 22 22 LEU HB3 H 0.578 0.030 2 155 22 22 LEU HD1 H 0.500 0.030 1 156 22 22 LEU HD2 H -0.501 0.030 1 157 22 22 LEU HG H 1.204 0.030 1 158 22 22 LEU C C 177.768 0.300 1 159 22 22 LEU CA C 58.418 0.300 1 160 22 22 LEU CB C 38.280 0.300 1 161 22 22 LEU CD1 C 23.004 0.300 2 162 22 22 LEU CD2 C 23.604 0.300 2 163 22 22 LEU CG C 25.791 0.300 1 164 22 22 LEU N N 121.618 0.300 1 165 23 23 GLN H H 8.047 0.030 1 166 23 23 GLN HA H 4.042 0.030 1 167 23 23 GLN HB2 H 2.245 0.030 2 168 23 23 GLN HB3 H 2.050 0.030 2 169 23 23 GLN HE21 H 7.297 0.030 2 170 23 23 GLN HE22 H 6.875 0.030 2 171 23 23 GLN HG2 H 2.533 0.030 2 172 23 23 GLN HG3 H 2.470 0.030 2 173 23 23 GLN C C 178.945 0.300 1 174 23 23 GLN CA C 59.172 0.300 1 175 23 23 GLN CB C 28.225 0.300 1 176 23 23 GLN CG C 34.051 0.300 1 177 23 23 GLN N N 117.012 0.300 1 178 23 23 GLN NE2 N 110.510 0.300 1 179 24 24 ARG H H 7.956 0.030 1 180 24 24 ARG HA H 4.098 0.030 1 181 24 24 ARG HB2 H 1.943 0.030 2 182 24 24 ARG HB3 H 1.856 0.030 2 183 24 24 ARG HD2 H 3.269 0.030 2 184 24 24 ARG HD3 H 3.205 0.030 2 185 24 24 ARG HG2 H 1.821 0.030 2 186 24 24 ARG HG3 H 1.627 0.030 2 187 24 24 ARG C C 179.440 0.300 1 188 24 24 ARG CA C 59.443 0.300 1 189 24 24 ARG CB C 30.290 0.300 1 190 24 24 ARG CD C 43.549 0.300 1 191 24 24 ARG CG C 27.926 0.300 1 192 24 24 ARG N N 118.511 0.300 1 193 25 25 ARG H H 7.768 0.030 1 194 25 25 ARG HA H 4.380 0.030 1 195 25 25 ARG HB2 H 2.219 0.030 2 196 25 25 ARG HB3 H 2.092 0.030 2 197 25 25 ARG HD2 H 3.352 0.030 2 198 25 25 ARG HD3 H 3.541 0.030 2 199 25 25 ARG HG2 H 1.846 0.030 2 200 25 25 ARG HG3 H 1.784 0.030 2 201 25 25 ARG C C 177.933 0.300 1 202 25 25 ARG CA C 56.993 0.300 1 203 25 25 ARG CB C 28.118 0.300 1 204 25 25 ARG CD C 40.901 0.300 1 205 25 25 ARG CG C 27.172 0.300 1 206 25 25 ARG N N 119.018 0.300 1 207 26 26 PHE H H 8.739 0.030 1 208 26 26 PHE HA H 4.680 0.030 1 209 26 26 PHE HB2 H 3.148 0.030 2 210 26 26 PHE HB3 H 3.067 0.030 2 211 26 26 PHE HD1 H 6.953 0.030 1 212 26 26 PHE HD2 H 6.953 0.030 1 213 26 26 PHE HE1 H 7.206 0.030 1 214 26 26 PHE HE2 H 7.206 0.030 1 215 26 26 PHE HZ H 6.819 0.030 1 216 26 26 PHE C C 175.842 0.300 1 217 26 26 PHE CA C 60.339 0.300 1 218 26 26 PHE CB C 39.477 0.300 1 219 26 26 PHE CD1 C 132.495 0.300 1 220 26 26 PHE CD2 C 132.495 0.300 1 221 26 26 PHE CE1 C 131.088 0.300 1 222 26 26 PHE CE2 C 131.088 0.300 1 223 26 26 PHE CZ C 129.053 0.300 1 224 26 26 PHE N N 121.838 0.300 1 225 27 27 GLN H H 7.712 0.030 1 226 27 27 GLN HA H 3.979 0.030 1 227 27 27 GLN HB2 H 2.250 0.030 1 228 27 27 GLN HB3 H 2.250 0.030 1 229 27 27 GLN HE21 H 7.524 0.030 2 230 27 27 GLN HE22 H 6.919 0.030 2 231 27 27 GLN HG2 H 2.690 0.030 2 232 27 27 GLN HG3 H 2.573 0.030 2 233 27 27 GLN C C 177.336 0.300 1 234 27 27 GLN CA C 57.877 0.300 1 235 27 27 GLN CB C 28.809 0.300 1 236 27 27 GLN CG C 34.431 0.300 1 237 27 27 GLN N N 113.533 0.300 1 238 27 27 GLN NE2 N 111.796 0.300 1 239 28 28 LYS H H 7.469 0.030 1 240 28 28 LYS HA H 4.316 0.030 1 241 28 28 LYS HB2 H 2.049 0.030 1 242 28 28 LYS HB3 H 2.049 0.030 1 243 28 28 LYS HD2 H 1.713 0.030 1 244 28 28 LYS HD3 H 1.713 0.030 1 245 28 28 LYS HE2 H 3.023 0.030 1 246 28 28 LYS HE3 H 3.023 0.030 1 247 28 28 LYS HG2 H 1.630 0.030 2 248 28 28 LYS HG3 H 1.499 0.030 2 249 28 28 LYS C C 177.011 0.300 1 250 28 28 LYS CA C 57.805 0.300 1 251 28 28 LYS CB C 33.639 0.300 1 252 28 28 LYS CD C 29.157 0.300 1 253 28 28 LYS CE C 42.177 0.300 1 254 28 28 LYS CG C 24.993 0.300 1 255 28 28 LYS N N 117.851 0.300 1 256 29 29 THR H H 8.373 0.030 1 257 29 29 THR HA H 4.457 0.030 1 258 29 29 THR HB H 4.213 0.030 1 259 29 29 THR HG2 H 1.222 0.030 1 260 29 29 THR C C 171.650 0.300 1 261 29 29 THR CA C 59.598 0.300 1 262 29 29 THR CB C 70.546 0.300 1 263 29 29 THR CG2 C 20.523 0.300 1 264 29 29 THR N N 113.944 0.300 1 265 30 30 GLN H H 8.210 0.030 1 266 30 30 GLN HA H 3.863 0.030 1 267 30 30 GLN HB2 H 1.690 0.030 1 268 30 30 GLN HB3 H 1.690 0.030 1 269 30 30 GLN HE21 H 7.318 0.030 2 270 30 30 GLN HE22 H 6.503 0.030 2 271 30 30 GLN HG2 H 1.733 0.030 2 272 30 30 GLN HG3 H 1.369 0.030 2 273 30 30 GLN C C 174.111 0.300 1 274 30 30 GLN CA C 56.868 0.300 1 275 30 30 GLN CB C 27.841 0.300 1 276 30 30 GLN CG C 34.291 0.300 1 277 30 30 GLN N N 121.138 0.300 1 278 30 30 GLN NE2 N 110.778 0.300 1 279 31 31 TYR H H 7.532 0.030 1 280 31 31 TYR HA H 4.700 0.030 1 281 31 31 TYR HB2 H 2.895 0.030 2 282 31 31 TYR HB3 H 2.712 0.030 2 283 31 31 TYR HD1 H 7.110 0.030 1 284 31 31 TYR HD2 H 7.110 0.030 1 285 31 31 TYR HE1 H 6.800 0.030 1 286 31 31 TYR HE2 H 6.800 0.030 1 287 31 31 TYR C C 174.485 0.300 1 288 31 31 TYR CA C 56.954 0.300 1 289 31 31 TYR CB C 41.374 0.300 1 290 31 31 TYR CD1 C 133.447 0.300 1 291 31 31 TYR CD2 C 133.447 0.300 1 292 31 31 TYR CE1 C 117.997 0.300 1 293 31 31 TYR CE2 C 117.997 0.300 1 294 31 31 TYR N N 114.987 0.300 1 295 32 32 LEU H H 8.382 0.030 1 296 32 32 LEU HA H 4.486 0.030 1 297 32 32 LEU HB2 H 1.103 0.030 2 298 32 32 LEU HB3 H 1.345 0.030 2 299 32 32 LEU HD1 H 0.180 0.030 1 300 32 32 LEU HD2 H 0.501 0.030 1 301 32 32 LEU HG H 0.741 0.030 1 302 32 32 LEU C C 176.526 0.300 1 303 32 32 LEU CA C 53.216 0.300 1 304 32 32 LEU CB C 44.134 0.300 1 305 32 32 LEU CD1 C 26.544 0.300 2 306 32 32 LEU CD2 C 23.346 0.300 2 307 32 32 LEU CG C 26.112 0.300 1 308 32 32 LEU N N 123.429 0.300 1 309 33 33 ALA H H 8.805 0.030 1 310 33 33 ALA HA H 4.469 0.030 1 311 33 33 ALA HB H 1.559 0.030 1 312 33 33 ALA C C 178.230 0.300 1 313 33 33 ALA CA C 51.183 0.300 1 314 33 33 ALA CB C 19.852 0.300 1 315 33 33 ALA N N 126.131 0.300 1 316 34 34 LEU H H 8.898 0.030 1 317 34 34 LEU HA H 4.088 0.030 1 318 34 34 LEU HB2 H 1.795 0.030 1 319 34 34 LEU HB3 H 1.795 0.030 1 320 34 34 LEU HD1 H 0.976 0.030 1 321 34 34 LEU HD2 H 0.926 0.030 1 322 34 34 LEU HG H 1.707 0.030 1 323 34 34 LEU C C 178.245 0.300 1 324 34 34 LEU CA C 60.712 0.300 1 325 34 34 LEU CB C 39.135 0.300 1 326 34 34 LEU CD1 C 24.424 0.300 2 327 34 34 LEU CD2 C 24.227 0.300 2 328 34 34 LEU CG C 27.642 0.300 1 329 34 34 LEU N N 122.061 0.300 1 330 35 35 PRO HA H 4.378 0.030 1 331 35 35 PRO HB2 H 1.895 0.030 2 332 35 35 PRO HB3 H 2.342 0.030 2 333 35 35 PRO HD2 H 3.840 0.030 2 334 35 35 PRO HD3 H 3.691 0.030 2 335 35 35 PRO HG2 H 2.000 0.030 2 336 35 35 PRO HG3 H 2.100 0.030 2 337 35 35 PRO C C 179.888 0.300 1 338 35 35 PRO CA C 65.894 0.300 1 339 35 35 PRO CB C 30.618 0.300 1 340 35 35 PRO CD C 50.059 0.300 1 341 35 35 PRO CG C 28.482 0.300 1 342 36 36 GLU H H 6.984 0.030 1 343 36 36 GLU HA H 4.192 0.030 1 344 36 36 GLU HB2 H 1.957 0.030 2 345 36 36 GLU HB3 H 2.292 0.030 2 346 36 36 GLU HG2 H 2.296 0.030 1 347 36 36 GLU HG3 H 2.296 0.030 1 348 36 36 GLU C C 179.230 0.300 1 349 36 36 GLU CA C 58.631 0.300 1 350 36 36 GLU CB C 30.290 0.300 1 351 36 36 GLU CG C 36.956 0.300 1 352 36 36 GLU N N 116.910 0.300 1 353 37 37 ARG H H 8.489 0.030 1 354 37 37 ARG HA H 3.741 0.030 1 355 37 37 ARG HB2 H 1.901 0.030 1 356 37 37 ARG HB3 H 1.901 0.030 1 357 37 37 ARG HD2 H 3.491 0.030 2 358 37 37 ARG HD3 H 3.204 0.030 2 359 37 37 ARG HG2 H 1.586 0.030 2 360 37 37 ARG HG3 H 1.365 0.030 2 361 37 37 ARG C C 177.835 0.300 1 362 37 37 ARG CA C 60.076 0.300 1 363 37 37 ARG CB C 30.775 0.300 1 364 37 37 ARG CD C 44.189 0.300 1 365 37 37 ARG CG C 27.592 0.300 1 366 37 37 ARG N N 121.545 0.300 1 367 38 38 ALA H H 8.308 0.030 1 368 38 38 ALA HA H 3.941 0.030 1 369 38 38 ALA HB H 1.504 0.030 1 370 38 38 ALA C C 180.311 0.300 1 371 38 38 ALA CA C 55.446 0.300 1 372 38 38 ALA CB C 18.082 0.300 1 373 38 38 ALA N N 120.571 0.300 1 374 39 39 GLU H H 7.819 0.030 1 375 39 39 GLU HA H 4.125 0.030 1 376 39 39 GLU HB2 H 2.144 0.030 1 377 39 39 GLU HB3 H 2.144 0.030 1 378 39 39 GLU HG2 H 2.429 0.030 2 379 39 39 GLU HG3 H 2.239 0.030 2 380 39 39 GLU C C 178.851 0.300 1 381 39 39 GLU CA C 59.257 0.300 1 382 39 39 GLU CB C 29.806 0.300 1 383 39 39 GLU CG C 36.078 0.300 1 384 39 39 GLU N N 119.614 0.300 1 385 40 40 LEU H H 8.251 0.030 1 386 40 40 LEU HA H 4.149 0.030 1 387 40 40 LEU HB2 H 1.756 0.030 2 388 40 40 LEU HB3 H 1.607 0.030 2 389 40 40 LEU HD1 H 0.873 0.030 1 390 40 40 LEU HD2 H 0.887 0.030 1 391 40 40 LEU HG H 1.461 0.030 1 392 40 40 LEU C C 178.939 0.300 1 393 40 40 LEU CA C 57.625 0.300 1 394 40 40 LEU CB C 42.239 0.300 1 395 40 40 LEU CD1 C 26.997 0.300 2 396 40 40 LEU CD2 C 23.460 0.300 2 397 40 40 LEU CG C 27.015 0.300 1 398 40 40 LEU N N 121.912 0.300 1 399 41 41 ALA H H 8.449 0.030 1 400 41 41 ALA HA H 3.629 0.030 1 401 41 41 ALA HB H 1.352 0.030 1 402 41 41 ALA C C 179.199 0.300 1 403 41 41 ALA CA C 56.202 0.300 1 404 41 41 ALA CB C 17.819 0.300 1 405 41 41 ALA N N 120.020 0.300 1 406 42 42 ALA H H 7.800 0.030 1 407 42 42 ALA HA H 4.240 0.030 1 408 42 42 ALA HB H 1.567 0.030 1 409 42 42 ALA C C 181.146 0.300 1 410 42 42 ALA CA C 54.991 0.300 1 411 42 42 ALA CB C 17.983 0.300 1 412 42 42 ALA N N 118.414 0.300 1 413 43 43 SER H H 8.172 0.030 1 414 43 43 SER HA H 4.314 0.030 1 415 43 43 SER HB2 H 4.069 0.030 1 416 43 43 SER HB3 H 4.069 0.030 1 417 43 43 SER C C 175.817 0.300 1 418 43 43 SER CA C 61.138 0.300 1 419 43 43 SER CB C 63.341 0.300 1 420 43 43 SER N N 113.508 0.300 1 421 44 44 LEU H H 7.701 0.030 1 422 44 44 LEU HA H 4.662 0.030 1 423 44 44 LEU HB2 H 1.717 0.030 2 424 44 44 LEU HB3 H 1.515 0.030 2 425 44 44 LEU HD1 H 0.685 0.030 1 426 44 44 LEU HD2 H 0.746 0.030 1 427 44 44 LEU HG H 2.005 0.030 1 428 44 44 LEU C C 177.588 0.300 1 429 44 44 LEU CA C 54.556 0.300 1 430 44 44 LEU CB C 44.134 0.300 1 431 44 44 LEU CD1 C 26.114 0.300 2 432 44 44 LEU CD2 C 22.510 0.300 2 433 44 44 LEU CG C 26.273 0.300 1 434 44 44 LEU N N 117.384 0.300 1 435 45 45 GLY H H 7.971 0.030 1 436 45 45 GLY HA2 H 4.130 0.030 2 437 45 45 GLY HA3 H 3.991 0.030 2 438 45 45 GLY C C 174.538 0.300 1 439 45 45 GLY CA C 46.623 0.300 1 440 45 45 GLY N N 110.156 0.300 1 441 46 46 LEU H H 8.012 0.030 1 442 46 46 LEU HA H 4.914 0.030 1 443 46 46 LEU HB2 H 1.324 0.030 2 444 46 46 LEU HB3 H 1.777 0.030 2 445 46 46 LEU HD1 H 0.692 0.030 1 446 46 46 LEU HD2 H 0.835 0.030 1 447 46 46 LEU HG H 1.504 0.030 1 448 46 46 LEU C C 176.613 0.300 1 449 46 46 LEU CA C 52.652 0.300 1 450 46 46 LEU CB C 46.882 0.300 1 451 46 46 LEU CD1 C 27.058 0.300 2 452 46 46 LEU CD2 C 23.426 0.300 2 453 46 46 LEU CG C 27.001 0.300 1 454 46 46 LEU N N 119.755 0.300 1 455 47 47 THR H H 8.846 0.030 1 456 47 47 THR HA H 4.681 0.030 1 457 47 47 THR HB H 4.830 0.030 1 458 47 47 THR HG2 H 1.299 0.030 1 459 47 47 THR C C 176.869 0.300 1 460 47 47 THR CA C 60.326 0.300 1 461 47 47 THR CB C 70.720 0.300 1 462 47 47 THR CG2 C 21.675 0.300 1 463 47 47 THR N N 109.908 0.300 1 464 48 48 GLN H H 9.324 0.030 1 465 48 48 GLN HA H 3.708 0.030 1 466 48 48 GLN HB2 H 2.105 0.030 1 467 48 48 GLN HB3 H 2.105 0.030 1 468 48 48 GLN HE21 H 7.696 0.030 2 469 48 48 GLN HE22 H 6.996 0.030 2 470 48 48 GLN HG2 H 2.716 0.030 2 471 48 48 GLN HG3 H 2.087 0.030 2 472 48 48 GLN C C 178.548 0.300 1 473 48 48 GLN CA C 60.839 0.300 1 474 48 48 GLN CB C 27.998 0.300 1 475 48 48 GLN CG C 35.204 0.300 1 476 48 48 GLN N N 120.589 0.300 1 477 48 48 GLN NE2 N 111.765 0.300 1 478 49 49 THR H H 8.172 0.030 1 479 49 49 THR HA H 3.908 0.030 1 480 49 49 THR HB H 4.104 0.030 1 481 49 49 THR HG2 H 1.290 0.030 1 482 49 49 THR CA C 66.920 0.300 1 483 49 49 THR CB C 68.671 0.300 1 484 49 49 THR CG2 C 22.247 0.300 1 485 49 49 THR N N 115.925 0.300 1 486 50 50 GLN H H 8.005 0.030 1 487 50 50 GLN HA H 4.049 0.030 1 488 50 50 GLN HB2 H 2.024 0.030 2 489 50 50 GLN HB3 H 2.617 0.030 2 490 50 50 GLN HE21 H 7.346 0.030 2 491 50 50 GLN HE22 H 6.851 0.030 2 492 50 50 GLN HG2 H 2.572 0.030 2 493 50 50 GLN HG3 H 2.472 0.030 2 494 50 50 GLN C C 180.191 0.300 1 495 50 50 GLN CA C 59.633 0.300 1 496 50 50 GLN CB C 28.965 0.300 1 497 50 50 GLN CG C 35.420 0.300 1 498 50 50 GLN N N 120.680 0.300 1 499 50 50 GLN NE2 N 111.563 0.300 1 500 51 51 VAL H H 7.759 0.030 1 501 51 51 VAL HA H 3.754 0.030 1 502 51 51 VAL HB H 2.192 0.030 1 503 51 51 VAL HG1 H 0.981 0.030 1 504 51 51 VAL HG2 H 0.984 0.030 1 505 51 51 VAL C C 176.534 0.300 1 506 51 51 VAL CA C 67.618 0.300 1 507 51 51 VAL CB C 32.052 0.300 1 508 51 51 VAL CG1 C 23.792 0.300 2 509 51 51 VAL CG2 C 23.512 0.300 2 510 51 51 VAL N N 119.814 0.300 1 511 52 52 LYS H H 8.504 0.030 1 512 52 52 LYS HA H 4.301 0.030 1 513 52 52 LYS HB2 H 1.868 0.030 2 514 52 52 LYS HB3 H 2.217 0.030 2 515 52 52 LYS HD2 H 1.771 0.030 2 516 52 52 LYS HD3 H 1.705 0.030 2 517 52 52 LYS HE2 H 3.021 0.030 1 518 52 52 LYS HE3 H 3.021 0.030 1 519 52 52 LYS HG2 H 1.377 0.030 2 520 52 52 LYS HG3 H 1.631 0.030 2 521 52 52 LYS C C 179.918 0.300 1 522 52 52 LYS CA C 60.046 0.300 1 523 52 52 LYS CB C 33.392 0.300 1 524 52 52 LYS CD C 30.035 0.300 1 525 52 52 LYS CE C 42.259 0.300 1 526 52 52 LYS CG C 24.955 0.300 1 527 52 52 LYS N N 121.422 0.300 1 528 53 53 ILE H H 8.775 0.030 1 529 53 53 ILE HA H 3.866 0.030 1 530 53 53 ILE HB H 1.981 0.030 1 531 53 53 ILE HD1 H 0.869 0.030 1 532 53 53 ILE HG12 H 1.354 0.030 2 533 53 53 ILE HG13 H 1.746 0.030 2 534 53 53 ILE HG2 H 1.017 0.030 1 535 53 53 ILE C C 177.447 0.300 1 536 53 53 ILE CA C 64.285 0.300 1 537 53 53 ILE CB C 38.066 0.300 1 538 53 53 ILE CD1 C 12.959 0.300 1 539 53 53 ILE CG1 C 29.095 0.300 1 540 53 53 ILE CG2 C 17.456 0.300 1 541 53 53 ILE N N 119.411 0.300 1 542 54 54 TRP H H 8.052 0.030 1 543 54 54 TRP HA H 4.005 0.030 1 544 54 54 TRP HB2 H 3.477 0.030 2 545 54 54 TRP HB3 H 3.338 0.030 2 546 54 54 TRP HD1 H 6.606 0.030 1 547 54 54 TRP HE1 H 9.193 0.030 1 548 54 54 TRP HE3 H 6.934 0.030 1 549 54 54 TRP HH2 H 6.294 0.030 1 550 54 54 TRP HZ2 H 7.106 0.030 1 551 54 54 TRP HZ3 H 5.762 0.030 1 552 54 54 TRP C C 179.712 0.300 1 553 54 54 TRP CA C 63.406 0.300 1 554 54 54 TRP CB C 28.935 0.300 1 555 54 54 TRP CD1 C 126.899 0.300 1 556 54 54 TRP CE3 C 121.350 0.300 1 557 54 54 TRP CH2 C 122.748 0.300 1 558 54 54 TRP CZ2 C 113.813 0.300 1 559 54 54 TRP CZ3 C 120.938 0.300 1 560 54 54 TRP N N 122.233 0.300 1 561 54 54 TRP NE1 N 128.310 0.300 1 562 55 55 PHE H H 8.720 0.030 1 563 55 55 PHE HA H 3.786 0.030 1 564 55 55 PHE HB2 H 3.252 0.030 2 565 55 55 PHE HB3 H 3.534 0.030 2 566 55 55 PHE HD1 H 7.789 0.030 1 567 55 55 PHE HD2 H 7.789 0.030 1 568 55 55 PHE HE1 H 7.498 0.030 1 569 55 55 PHE HE2 H 7.498 0.030 1 570 55 55 PHE HZ H 7.124 0.030 1 571 55 55 PHE C C 177.753 0.300 1 572 55 55 PHE CA C 63.194 0.300 1 573 55 55 PHE CB C 39.739 0.300 1 574 55 55 PHE CD1 C 132.010 0.300 1 575 55 55 PHE CD2 C 132.010 0.300 1 576 55 55 PHE CE1 C 131.997 0.300 1 577 55 55 PHE CE2 C 131.997 0.300 1 578 55 55 PHE CZ C 129.150 0.300 1 579 55 55 PHE N N 118.671 0.300 1 580 56 56 GLN H H 8.294 0.030 1 581 56 56 GLN HA H 3.952 0.030 1 582 56 56 GLN HB2 H 2.268 0.030 2 583 56 56 GLN HB3 H 2.174 0.030 2 584 56 56 GLN HE21 H 7.571 0.030 2 585 56 56 GLN HE22 H 6.923 0.030 2 586 56 56 GLN HG2 H 2.516 0.030 2 587 56 56 GLN HG3 H 2.458 0.030 2 588 56 56 GLN C C 179.029 0.300 1 589 56 56 GLN CA C 59.414 0.300 1 590 56 56 GLN CB C 28.724 0.300 1 591 56 56 GLN CG C 34.019 0.300 1 592 56 56 GLN N N 118.357 0.300 1 593 56 56 GLN NE2 N 111.645 0.300 1 594 57 57 ASN H H 8.580 0.030 1 595 57 57 ASN HA H 4.315 0.030 1 596 57 57 ASN HB2 H 2.720 0.030 2 597 57 57 ASN HB3 H 2.524 0.030 2 598 57 57 ASN HD21 H 7.462 0.030 2 599 57 57 ASN HD22 H 6.885 0.030 2 600 57 57 ASN C C 177.717 0.300 1 601 57 57 ASN CA C 55.541 0.300 1 602 57 57 ASN CB C 37.796 0.300 1 603 57 57 ASN N N 118.858 0.300 1 604 57 57 ASN ND2 N 112.405 0.300 1 605 58 58 LYS H H 7.761 0.030 1 606 58 58 LYS HA H 3.416 0.030 1 607 58 58 LYS HB2 H 0.078 0.030 2 608 58 58 LYS HB3 H 0.617 0.030 2 609 58 58 LYS HD2 H 0.846 0.030 2 610 58 58 LYS HD3 H 0.446 0.030 2 611 58 58 LYS HE2 H 2.280 0.030 2 612 58 58 LYS HE3 H 2.246 0.030 2 613 58 58 LYS HG2 H -0.403 0.030 2 614 58 58 LYS HG3 H -0.504 0.030 2 615 58 58 LYS C C 178.937 0.300 1 616 58 58 LYS CA C 57.292 0.300 1 617 58 58 LYS CB C 30.746 0.300 1 618 58 58 LYS CD C 27.262 0.300 1 619 58 58 LYS CE C 42.040 0.300 1 620 58 58 LYS CG C 21.989 0.300 1 621 58 58 LYS N N 122.418 0.300 1 622 59 59 ARG H H 7.965 0.030 1 623 59 59 ARG HA H 4.078 0.030 1 624 59 59 ARG HB2 H 1.823 0.030 2 625 59 59 ARG HB3 H 2.111 0.030 2 626 59 59 ARG HD2 H 2.803 0.030 2 627 59 59 ARG HD3 H 2.909 0.030 2 628 59 59 ARG HG2 H 1.549 0.030 2 629 59 59 ARG HG3 H 2.262 0.030 2 630 59 59 ARG C C 178.804 0.300 1 631 59 59 ARG CA C 60.056 0.300 1 632 59 59 ARG CB C 31.573 0.300 1 633 59 59 ARG CD C 43.631 0.300 1 634 59 59 ARG CG C 29.554 0.300 1 635 59 59 ARG N N 116.992 0.300 1 636 60 60 SER H H 7.733 0.030 1 637 60 60 SER HA H 4.308 0.030 1 638 60 60 SER HB2 H 3.996 0.030 1 639 60 60 SER HB3 H 3.996 0.030 1 640 60 60 SER C C 175.262 0.300 1 641 60 60 SER CA C 60.550 0.300 1 642 60 60 SER CB C 63.304 0.300 1 643 60 60 SER N N 113.717 0.300 1 644 61 61 LYS H H 7.622 0.030 1 645 61 61 LYS HA H 4.218 0.030 1 646 61 61 LYS HB2 H 1.869 0.030 2 647 61 61 LYS HB3 H 1.745 0.030 2 648 61 61 LYS HD2 H 1.551 0.030 1 649 61 61 LYS HD3 H 1.551 0.030 1 650 61 61 LYS HE2 H 2.895 0.030 1 651 61 61 LYS HE3 H 2.895 0.030 1 652 61 61 LYS HG2 H 1.438 0.030 2 653 61 61 LYS HG3 H 1.393 0.030 2 654 61 61 LYS C C 177.402 0.300 1 655 61 61 LYS CA C 56.989 0.300 1 656 61 61 LYS CB C 32.486 0.300 1 657 61 61 LYS CD C 28.828 0.300 1 658 61 61 LYS CE C 42.177 0.300 1 659 61 61 LYS CG C 24.790 0.300 1 660 61 61 LYS N N 121.107 0.300 1 661 62 62 ILE H H 7.632 0.030 1 662 62 62 ILE HA H 4.074 0.030 1 663 62 62 ILE HB H 1.959 0.030 1 664 62 62 ILE HD1 H 0.946 0.030 1 665 62 62 ILE HG12 H 1.579 0.030 2 666 62 62 ILE HG13 H 1.314 0.030 2 667 62 62 ILE HG2 H 0.948 0.030 1 668 62 62 ILE C C 176.614 0.300 1 669 62 62 ILE CA C 61.960 0.300 1 670 62 62 ILE CB C 38.231 0.300 1 671 62 62 ILE CD1 C 13.419 0.300 1 672 62 62 ILE CG1 C 27.561 0.300 1 673 62 62 ILE CG2 C 17.539 0.300 1 674 62 62 ILE N N 119.268 0.300 1 675 63 63 LYS H H 8.100 0.030 1 676 63 63 LYS HA H 4.304 0.030 1 677 63 63 LYS HB2 H 1.867 0.030 2 678 63 63 LYS HB3 H 1.815 0.030 2 679 63 63 LYS HD2 H 1.752 0.030 2 680 63 63 LYS HE2 H 3.020 0.030 1 681 63 63 LYS HE3 H 3.020 0.030 1 682 63 63 LYS HG2 H 1.503 0.030 2 683 63 63 LYS C C 176.623 0.300 1 684 63 63 LYS CA C 56.672 0.300 1 685 63 63 LYS CB C 32.898 0.300 1 686 63 63 LYS CD C 29.240 0.300 1 687 63 63 LYS CE C 42.259 0.300 1 688 63 63 LYS CG C 24.790 0.300 1 689 63 63 LYS N N 124.673 0.300 1 690 64 64 LYS H H 8.272 0.030 1 691 64 64 LYS C C 176.619 0.300 1 692 64 64 LYS CA C 56.531 0.300 1 693 64 64 LYS CB C 33.017 0.300 1 694 64 64 LYS N N 122.722 0.300 1 695 65 65 SER HA H 4.533 0.030 1 696 65 65 SER HB2 H 3.910 0.030 1 697 65 65 SER HB3 H 3.910 0.030 1 698 65 65 SER C C 174.501 0.300 1 699 65 65 SER CA C 58.364 0.300 1 700 65 65 SER CB C 64.210 0.300 1 701 66 66 GLY H H 8.264 0.030 1 702 66 66 GLY C C 171.884 0.300 1 703 66 66 GLY CA C 44.719 0.300 1 704 66 66 GLY N N 110.727 0.300 1 705 67 67 PRO HD2 H 3.652 0.030 1 706 67 67 PRO HD3 H 3.652 0.030 1 707 67 67 PRO HG2 H 2.031 0.030 2 708 67 67 PRO CA C 63.385 0.300 1 709 67 67 PRO CB C 32.419 0.300 1 710 67 67 PRO CD C 49.820 0.300 1 711 67 67 PRO CG C 27.237 0.300 1 stop_ save_