data_5868 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of XPC binding domain of hHR23B ; _BMRB_accession_number 5868 _BMRB_flat_file_name bmr5868.str _Entry_type original _Submission_date 2003-07-14 _Accession_date 2003-07-14 _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 Kim B. K. . 2 Ryu K.-S. . . 3 Kim H. J. . 4 Choi B.-S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 397 "13C chemical shifts" 269 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-05-19 original author . stop_ _Original_release_date 2005-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and backbone dynamics of the XPC-binding domain of the human DNA repair protein hHR23B.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15885096 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim B. K. . 2 Ryu K.-S. . . 3 Kim H. J. . 4 Cho S. J. . 5 Choi B.-S. . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_volume 272 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2467 _Page_last 2476 _Year 2005 _Details . loop_ _Keyword CHAPS hHR23B 'NMR solution structure' 'Nucleotide excision repair' 'XPC binding domain' stop_ save_ ################################## # Molecular system description # ################################## save_system_RAD23 _Saveframe_category molecular_system _Mol_system_name 'UV excision repair protein RAD23 homolog B' _Abbreviation_common 'RAD23 homolog B' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RAD23 homolog B' $RAD23 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RAD23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RAD23 homolog B' _Abbreviation_common 'RAD23 homolog B' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; GSHMPLEFLRNQPQFQQMRQ IIQQNPSLLPALLQQIGREN PQLLQQISQHQEHFIQMLNE PVQEAGGQGGGG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 PRO 6 LEU 7 GLU 8 PHE 9 LEU 10 ARG 11 ASN 12 GLN 13 PRO 14 GLN 15 PHE 16 GLN 17 GLN 18 MET 19 ARG 20 GLN 21 ILE 22 ILE 23 GLN 24 GLN 25 ASN 26 PRO 27 SER 28 LEU 29 LEU 30 PRO 31 ALA 32 LEU 33 LEU 34 GLN 35 GLN 36 ILE 37 GLY 38 ARG 39 GLU 40 ASN 41 PRO 42 GLN 43 LEU 44 LEU 45 GLN 46 GLN 47 ILE 48 SER 49 GLN 50 HIS 51 GLN 52 GLU 53 HIS 54 PHE 55 ILE 56 GLN 57 MET 58 LEU 59 ASN 60 GLU 61 PRO 62 VAL 63 GLN 64 GLU 65 ALA 66 GLY 67 GLY 68 GLN 69 GLY 70 GLY 71 GLY 72 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1PVE "Solution Structure Of Xpc Binding Domain Of Hhr23b" 100.00 72 100.00 100.00 2.05e-39 PDB 2F4M "The Mouse Pngase-Hr23 Complex Reveals A Complete Remodulation Of The Protein-Protein Interface Compared To Its Yeast Orthologs" 80.56 61 100.00 100.00 9.26e-29 PDB 2F4O "The Mouse Pngase-Hr23 Complex Reveals A Complete Remodulation Of The Protein-Protein Interface Compared To Its Yeast Orthologs" 80.56 61 100.00 100.00 9.26e-29 DBJ BAA04652 "XP-C repair complementing protein (p58/HHR23B) [Homo sapiens]" 100.00 409 97.22 97.22 2.98e-37 DBJ BAD97199 "UV excision repair protein RAD23 homolog B variant [Homo sapiens]" 100.00 409 97.22 97.22 4.10e-37 DBJ BAE89144 "unnamed protein product [Macaca fascicularis]" 100.00 217 97.22 97.22 8.05e-37 DBJ BAE89405 "unnamed protein product [Macaca fascicularis]" 100.00 409 97.22 97.22 3.05e-37 DBJ BAG54170 "unnamed protein product [Homo sapiens]" 100.00 409 97.22 97.22 2.98e-37 EMBL CAA63146 "MHR23B [Mus musculus]" 100.00 416 97.22 97.22 1.17e-36 GB AAH20973 "RAD23B protein [Homo sapiens]" 100.00 409 97.22 97.22 3.11e-37 GB AAH27747 "RAD23b homolog (S. cerevisiae) [Mus musculus]" 100.00 416 97.22 97.22 1.17e-36 GB AAH70960 "Rad23b protein [Rattus norvegicus]" 100.00 252 97.22 97.22 1.65e-36 GB AAH90351 "Rad23b protein [Rattus norvegicus]" 100.00 333 97.22 97.22 7.70e-37 GB AAH98674 "RAD23 homolog B (S. cerevisiae) [Rattus norvegicus]" 100.00 415 97.22 97.22 1.09e-36 PRF 2206377B "MHR23B gene" 100.00 416 97.22 97.22 1.17e-36 REF NP_001020446 "UV excision repair protein RAD23 homolog B [Rattus norvegicus]" 100.00 415 97.22 97.22 1.09e-36 REF NP_001039775 "UV excision repair protein RAD23 homolog B [Bos taurus]" 100.00 408 97.22 97.22 4.88e-37 REF NP_001231638 "UV excision repair protein RAD23 homolog B [Pan troglodytes]" 100.00 388 97.22 97.22 2.69e-37 REF NP_001231642 "UV excision repair protein RAD23 homolog B isoform 2 [Homo sapiens]" 100.00 388 97.22 97.22 2.43e-37 REF NP_001231653 "UV excision repair protein RAD23 homolog B isoform 3 [Homo sapiens]" 100.00 337 97.22 97.22 1.20e-37 SP P54727 "RecName: Full=UV excision repair protein RAD23 homolog B; Short=HR23B; Short=hHR23B; AltName: Full=XP-C repair-complementing co" 100.00 409 97.22 97.22 2.98e-37 SP Q29RK4 "RecName: Full=UV excision repair protein RAD23 homolog B [Bos taurus]" 100.00 408 97.22 97.22 4.88e-37 SP Q4KMA2 "RecName: Full=UV excision repair protein RAD23 homolog B [Rattus norvegicus]" 100.00 415 97.22 97.22 1.09e-36 TPG DAA26518 "TPA: UV excision repair protein RAD23 homolog B [Bos taurus]" 100.00 408 97.22 97.22 4.88e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RAD23 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_name $RAD23 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)PLYSS PET15B 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 $RAD23 1 mM '[U-15N; U-13C]' 'phosphate buffer NA' 40 mM . 'CHAPS NA' 10 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.3c loop_ _Task collection stop_ _Details Varian save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details 'Frank Delaglio' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.6 loop_ _Task 'structure solution' stop_ _Details 'Peter Guentert' save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7 loop_ _Task refinement stop_ _Details 'David A. Case etc' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 210 . mM pH 7.0 . n/a pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . . . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . . . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . . . . . 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'RAD23 homolog B' _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 . 2 SER H H 8.026 0.003 1 2 . 2 SER N N 121.566 0.034 1 3 . 3 HIS CA C 56.081 0.002 1 4 . 3 HIS CB C 30.624 0.001 1 5 . 3 HIS HA H 4.636 0.000 1 6 . 3 HIS HB2 H 3.092 0.002 1 7 . 3 HIS HB3 H 3.026 0.006 1 8 . 3 HIS H H 8.601 0.000 1 9 . 3 HIS N N 125.058 0.000 1 10 . 4 MET CA C 53.551 0.013 1 11 . 4 MET CB C 32.115 0.016 1 12 . 4 MET CG C 32.134 0.011 1 13 . 4 MET HA H 4.567 0.002 1 14 . 4 MET HB2 H 1.961 0.002 1 15 . 4 MET HB3 H 1.879 0.004 1 16 . 4 MET HG2 H 2.458 0.005 1 17 . 4 MET HG3 H 2.348 0.003 1 18 . 4 MET H H 8.383 0.003 1 19 . 4 MET N N 123.375 0.010 1 20 . 5 PRO CA C 64.300 0.029 1 21 . 5 PRO CB C 31.892 0.012 1 22 . 5 PRO CD C 50.372 0.027 1 23 . 5 PRO CG C 27.366 0.017 1 24 . 5 PRO HA H 4.229 0.002 1 25 . 5 PRO HB2 H 1.928 0.004 1 26 . 5 PRO HB3 H 1.353 0.006 1 27 . 5 PRO HD2 H 3.488 0.003 1 28 . 5 PRO HD3 H 3.075 0.002 1 29 . 5 PRO HG2 H 1.673 0.004 1 30 . 5 PRO HG3 H 1.493 0.005 1 31 . 6 LEU CA C 54.795 0.017 1 32 . 6 LEU CB C 41.065 0.001 1 33 . 6 LEU CD1 C 26.917 0.017 1 34 . 6 LEU CD2 C 23.245 0.019 1 35 . 6 LEU CG C 26.935 0.004 1 36 . 6 LEU C C 177.129 0.000 1 37 . 6 LEU HA H 4.122 0.003 1 38 . 6 LEU HB2 H 1.716 0.003 1 39 . 6 LEU HB3 H 1.472 0.003 1 40 . 6 LEU HG H 1.484 0.005 1 41 . 6 LEU H H 8.412 0.001 1 42 . 6 LEU N N 115.804 0.025 1 43 . 6 LEU HD1 H 0.996 0.004 1 44 . 6 LEU HD2 H 0.790 0.002 1 45 . 7 GLU CA C 59.341 0.015 1 46 . 7 GLU CB C 29.339 0.023 1 47 . 7 GLU CG C 35.933 0.022 1 48 . 7 GLU C C 177.984 0.000 1 49 . 7 GLU HA H 3.820 0.002 1 50 . 7 GLU HB2 H 2.110 0.002 1 51 . 7 GLU HB3 H 1.996 0.004 1 52 . 7 GLU H H 7.755 0.003 1 53 . 7 GLU N N 120.090 0.038 1 54 . 7 GLU HG2 H 2.282 0.002 1 55 . 8 PHE CA C 58.981 0.026 1 56 . 8 PHE CB C 37.799 0.012 1 57 . 8 PHE C C 176.692 0.000 1 58 . 8 PHE HA H 4.394 0.002 1 59 . 8 PHE HB2 H 3.195 0.001 1 60 . 8 PHE HB3 H 3.093 0.002 1 61 . 8 PHE H H 7.865 0.003 1 62 . 8 PHE N N 115.566 0.033 1 63 . 9 LEU CA C 56.559 0.012 1 64 . 9 LEU CD1 C 25.264 0.023 1 65 . 9 LEU CD2 C 24.059 0.033 1 66 . 9 LEU C C 177.669 0.000 1 67 . 9 LEU HA H 3.643 0.003 1 68 . 9 LEU HB2 H 1.084 0.005 1 69 . 9 LEU HB3 H 0.809 0.003 1 70 . 9 LEU HG H 0.894 0.001 1 71 . 9 LEU H H 7.123 0.003 1 72 . 9 LEU N N 120.815 0.012 1 73 . 9 LEU HD1 H 0.710 0.003 1 74 . 9 LEU HD2 H 0.626 0.002 1 75 . 10 ARG CA C 59.044 0.006 1 76 . 10 ARG CB C 30.498 0.011 1 77 . 10 ARG CD C 43.257 0.012 1 78 . 10 ARG CG C 27.924 0.043 1 79 . 10 ARG C C 176.681 0.000 1 80 . 10 ARG HA H 3.482 0.003 1 81 . 10 ARG HD2 H 3.220 0.002 1 82 . 10 ARG HD3 H 3.114 0.001 1 83 . 10 ARG HE H 7.985 0.000 1 84 . 10 ARG H H 7.252 0.002 1 85 . 10 ARG N N 114.712 0.038 1 86 . 10 ARG NE N 109.629 0.000 1 87 . 10 ARG HB2 H 1.687 0.002 1 88 . 10 ARG HG2 H 1.487 0.004 1 89 . 11 ASN CA C 52.602 0.016 1 90 . 11 ASN CB C 39.084 0.004 1 91 . 11 ASN C C 175.228 0.000 1 92 . 11 ASN HA H 4.851 0.006 1 93 . 11 ASN HB2 H 2.990 0.004 1 94 . 11 ASN HB3 H 2.706 0.003 1 95 . 11 ASN HD21 H 7.544 0.002 1 96 . 11 ASN HD22 H 6.931 0.003 1 97 . 11 ASN H H 7.619 0.002 1 98 . 11 ASN N N 113.025 0.018 1 99 . 11 ASN ND2 N 112.787 0.033 1 100 . 12 GLN CG C 33.796 0.017 1 101 . 12 GLN HA H 4.737 0.000 1 102 . 12 GLN HE21 H 7.447 0.000 1 103 . 12 GLN HE22 H 6.927 0.000 1 104 . 12 GLN HG2 H 2.639 0.003 1 105 . 12 GLN HG3 H 2.467 0.006 1 106 . 12 GLN H H 7.793 0.003 1 107 . 12 GLN N N 121.316 0.027 1 108 . 12 GLN NE2 N 112.278 0.035 1 109 . 12 GLN HB2 H 2.208 0.000 1 110 . 13 PRO CA C 65.667 0.012 1 111 . 13 PRO CB C 31.981 0.062 1 112 . 13 PRO CD C 51.099 0.022 1 113 . 13 PRO CG C 27.748 0.043 1 114 . 13 PRO C C 179.087 0.000 1 115 . 13 PRO HA H 4.385 0.002 1 116 . 13 PRO HB2 H 2.447 0.002 1 117 . 13 PRO HB3 H 2.019 0.002 1 118 . 13 PRO HD2 H 4.077 0.002 1 119 . 13 PRO HD3 H 3.957 0.002 1 120 . 13 PRO HG2 H 2.214 0.004 1 121 . 13 PRO HG3 H 2.131 0.003 1 122 . 14 GLN CA C 58.855 0.013 1 123 . 14 GLN CB C 28.101 0.020 1 124 . 14 GLN CG C 34.572 0.045 1 125 . 14 GLN C C 178.234 0.000 1 126 . 14 GLN HA H 4.322 0.003 1 127 . 14 GLN H H 8.954 0.002 1 128 . 14 GLN N N 115.424 0.031 1 129 . 14 GLN HB2 H 2.144 0.006 1 130 . 14 GLN HG2 H 2.514 0.005 1 131 . 15 PHE CA C 61.245 0.009 1 132 . 15 PHE CB C 39.751 0.019 1 133 . 15 PHE C C 177.085 0.000 1 134 . 15 PHE HA H 4.346 0.002 1 135 . 15 PHE HB2 H 3.373 0.003 1 136 . 15 PHE HB3 H 3.206 0.001 1 137 . 15 PHE H H 7.899 0.002 1 138 . 15 PHE N N 120.048 0.036 1 139 . 16 GLN CA C 58.895 0.006 1 140 . 16 GLN CB C 27.371 0.007 1 141 . 16 GLN CG C 33.516 0.003 1 142 . 16 GLN C C 178.692 0.000 1 143 . 16 GLN HA H 3.833 0.003 1 144 . 16 GLN H H 8.031 0.004 1 145 . 16 GLN N N 117.807 0.024 1 146 . 16 GLN HB2 H 2.197 0.006 1 147 . 16 GLN HG2 H 2.526 0.004 1 148 . 17 GLN CA C 58.875 0.040 1 149 . 17 GLN CB C 28.452 0.049 1 150 . 17 GLN CG C 34.194 0.018 1 151 . 17 GLN C C 178.092 0.000 1 152 . 17 GLN HA H 4.095 0.005 1 153 . 17 GLN HB2 H 2.196 0.004 1 154 . 17 GLN HB3 H 2.064 0.002 1 155 . 17 GLN HE21 H 7.393 0.001 1 156 . 17 GLN HE22 H 6.775 0.003 1 157 . 17 GLN HG2 H 2.476 0.006 1 158 . 17 GLN HG3 H 2.353 0.003 1 159 . 17 GLN H H 7.737 0.002 1 160 . 17 GLN N N 117.841 0.023 1 161 . 17 GLN NE2 N 110.485 0.020 1 162 . 18 MET CA C 59.608 0.005 1 163 . 18 MET CB C 32.750 0.017 1 164 . 18 MET CG C 32.763 0.014 1 165 . 18 MET C C 176.953 0.000 1 166 . 18 MET HA H 3.805 0.004 1 167 . 18 MET HB2 H 2.619 0.002 1 168 . 18 MET HB3 H 2.356 0.003 1 169 . 18 MET HG2 H 2.116 0.006 1 170 . 18 MET HG3 H 2.009 0.006 1 171 . 18 MET H H 7.761 0.003 1 172 . 18 MET N N 118.413 0.020 1 173 . 19 ARG CA C 59.851 0.024 1 174 . 19 ARG CB C 29.907 0.020 1 175 . 19 ARG CD C 43.939 0.027 1 176 . 19 ARG C C 177.540 0.000 1 177 . 19 ARG HA H 3.642 0.002 1 178 . 19 ARG HD2 H 3.119 0.003 1 179 . 19 ARG HD3 H 2.928 0.001 1 180 . 19 ARG HE H 6.985 0.004 1 181 . 19 ARG HG2 H 1.407 0.003 1 182 . 19 ARG HG3 H 1.343 0.006 1 183 . 19 ARG H H 7.954 0.002 1 184 . 19 ARG N N 117.376 0.034 1 185 . 19 ARG NE N 108.139 0.027 1 186 . 19 ARG HB2 H 1.607 0.005 1 187 . 20 GLN CA C 59.227 0.015 1 188 . 20 GLN CB C 28.600 0.055 1 189 . 20 GLN CG C 34.126 0.040 1 190 . 20 GLN C C 178.459 0.000 1 191 . 20 GLN HA H 3.910 0.002 1 192 . 20 GLN HE21 H 7.353 0.001 1 193 . 20 GLN HE22 H 6.788 0.005 1 194 . 20 GLN HG2 H 2.463 0.006 1 195 . 20 GLN HG3 H 2.324 0.007 1 196 . 20 GLN H H 7.628 0.001 1 197 . 20 GLN N N 117.343 0.030 1 198 . 20 GLN NE2 N 111.190 0.048 1 199 . 20 GLN HB2 H 2.131 0.004 1 200 . 21 ILE CA C 64.547 0.007 1 201 . 21 ILE CB C 38.145 0.014 1 202 . 21 ILE CD1 C 13.912 0.010 1 203 . 21 ILE CG1 C 29.347 0.005 1 204 . 21 ILE CG2 C 18.044 0.020 1 205 . 21 ILE C C 178.316 0.000 1 206 . 21 ILE HA H 3.740 0.001 1 207 . 21 ILE HB H 1.889 0.002 1 208 . 21 ILE HG12 H 1.733 0.002 1 209 . 21 ILE HG13 H 1.192 0.002 1 210 . 21 ILE H H 7.855 0.003 1 211 . 21 ILE N N 118.800 0.011 1 212 . 21 ILE HD1 H 0.843 0.004 1 213 . 21 ILE HG2 H 0.886 0.005 1 214 . 22 ILE CA C 62.012 0.016 1 215 . 22 ILE CB C 36.331 0.052 1 216 . 22 ILE CD1 C 11.949 0.023 1 217 . 22 ILE CG1 C 28.521 0.019 1 218 . 22 ILE CG2 C 18.302 0.026 1 219 . 22 ILE C C 177.076 0.000 1 220 . 22 ILE HA H 3.776 0.002 1 221 . 22 ILE HB H 1.944 0.004 1 222 . 22 ILE H H 7.926 0.003 1 223 . 22 ILE N N 119.048 0.015 1 224 . 22 ILE HD1 H 0.734 0.002 1 225 . 22 ILE HG12 H 1.429 0.005 1 226 . 22 ILE HG2 H 0.912 0.004 1 227 . 23 GLN CA C 58.736 0.020 1 228 . 23 GLN CB C 28.128 0.028 1 229 . 23 GLN CG C 34.527 0.009 1 230 . 23 GLN C C 178.360 0.000 1 231 . 23 GLN HA H 3.969 0.005 1 232 . 23 GLN HE21 H 7.546 0.002 1 233 . 23 GLN HE22 H 6.574 0.002 1 234 . 23 GLN HG2 H 2.640 0.005 1 235 . 23 GLN HG3 H 2.381 0.004 1 236 . 23 GLN H H 7.988 0.003 1 237 . 23 GLN N N 117.262 0.032 1 238 . 23 GLN NE2 N 110.716 0.032 1 239 . 23 GLN HB2 H 2.073 0.004 1 240 . 24 GLN CA C 57.312 0.011 1 241 . 24 GLN CB C 29.553 0.027 1 242 . 24 GLN CG C 34.159 0.011 1 243 . 24 GLN C C 176.508 0.000 1 244 . 24 GLN HA H 4.230 0.002 1 245 . 24 GLN HB2 H 2.130 0.006 1 246 . 24 GLN HB3 H 2.103 0.008 1 247 . 24 GLN HG2 H 2.540 0.004 1 248 . 24 GLN HG3 H 2.412 0.003 1 249 . 24 GLN H H 7.473 0.001 1 250 . 24 GLN N N 115.098 0.014 1 251 . 25 ASN CA C 50.960 0.026 1 252 . 25 ASN CB C 38.714 0.012 1 253 . 25 ASN HA H 5.045 0.002 1 254 . 25 ASN HB2 H 2.900 0.002 1 255 . 25 ASN HB3 H 2.743 0.002 1 256 . 25 ASN HD21 H 7.670 0.002 1 257 . 25 ASN HD22 H 7.047 0.002 1 258 . 25 ASN H H 8.008 0.003 1 259 . 25 ASN N N 114.544 0.024 1 260 . 25 ASN ND2 N 111.946 0.020 1 261 . 26 PRO CA C 65.158 0.026 1 262 . 26 PRO CB C 31.775 0.013 1 263 . 26 PRO CD C 50.195 0.017 1 264 . 26 PRO CG C 27.201 0.041 1 265 . 26 PRO C C 179.029 0.000 1 266 . 26 PRO HA H 4.458 0.004 1 267 . 26 PRO HB2 H 2.444 0.004 1 268 . 26 PRO HB3 H 2.020 0.003 1 269 . 26 PRO HD2 H 3.834 0.004 1 270 . 26 PRO HD3 H 3.519 0.004 1 271 . 26 PRO HG2 H 2.168 0.006 1 272 . 26 PRO HG3 H 2.083 0.005 1 273 . 27 SER CA C 60.680 0.014 1 274 . 27 SER CB C 62.818 0.000 1 275 . 27 SER C C 175.349 0.000 1 276 . 27 SER HA H 4.321 0.002 1 277 . 27 SER H H 8.053 0.002 1 278 . 27 SER N N 113.293 0.026 1 279 . 27 SER HB2 H 4.020 0.003 1 280 . 28 LEU CA C 55.213 0.017 1 281 . 28 LEU CB C 42.440 0.014 1 282 . 28 LEU CD1 C 26.038 0.026 1 283 . 28 LEU CD2 C 22.409 0.011 1 284 . 28 LEU CG C 26.820 0.036 1 285 . 28 LEU C C 177.275 0.000 1 286 . 28 LEU HA H 4.388 0.003 1 287 . 28 LEU HB2 H 1.804 0.004 1 288 . 28 LEU HB3 H 1.578 0.003 1 289 . 28 LEU HG H 1.683 0.003 1 290 . 28 LEU H H 7.871 0.002 1 291 . 28 LEU N N 120.096 0.028 1 292 . 28 LEU HD1 H 0.939 0.004 1 293 . 28 LEU HD2 H 0.829 0.003 1 294 . 29 LEU CA C 60.355 0.016 1 295 . 29 LEU CB C 39.368 0.010 1 296 . 29 LEU CD1 C 23.992 0.028 1 297 . 29 LEU CD2 C 25.889 0.047 1 298 . 29 LEU HA H 4.182 0.001 1 299 . 29 LEU HB2 H 2.114 0.001 1 300 . 29 LEU HB3 H 1.642 0.006 1 301 . 29 LEU HG H 1.683 0.003 1 302 . 29 LEU H H 7.607 0.002 1 303 . 29 LEU N N 119.293 0.011 1 304 . 29 LEU HD1 H 1.026 0.002 1 305 . 29 LEU HD2 H 1.005 0.004 1 306 . 30 PRO CA C 66.875 0.025 1 307 . 30 PRO CB C 30.539 0.029 1 308 . 30 PRO CD C 49.355 0.016 1 309 . 30 PRO CG C 28.596 0.034 1 310 . 30 PRO C C 179.014 0.000 1 311 . 30 PRO HA H 4.183 0.003 1 312 . 30 PRO HB2 H 2.336 0.005 1 313 . 30 PRO HB3 H 1.960 0.002 1 314 . 30 PRO HD2 H 3.825 0.003 1 315 . 30 PRO HD3 H 3.676 0.002 1 316 . 30 PRO HG2 H 2.220 0.003 1 317 . 30 PRO HG3 H 1.959 0.003 1 318 . 31 ALA CA C 54.901 0.017 1 319 . 31 ALA CB C 18.327 0.017 1 320 . 31 ALA C C 180.863 0.000 1 321 . 31 ALA HA H 4.189 0.004 1 322 . 31 ALA H H 7.561 0.001 1 323 . 31 ALA N N 119.798 0.007 1 324 . 31 ALA HB H 1.506 0.001 1 325 . 32 LEU CA C 58.233 0.041 1 326 . 32 LEU CB C 41.641 0.023 1 327 . 32 LEU CD1 C 24.852 0.023 1 328 . 32 LEU CD2 C 25.195 0.057 1 329 . 32 LEU CG C 27.434 0.054 1 330 . 32 LEU C C 178.926 0.000 1 331 . 32 LEU HA H 4.147 0.005 1 332 . 32 LEU HB2 H 1.940 0.003 1 333 . 32 LEU HB3 H 1.707 0.003 1 334 . 32 LEU HG H 1.720 0.004 1 335 . 32 LEU H H 8.276 0.003 1 336 . 32 LEU N N 120.606 0.022 1 337 . 32 LEU HD1 H 0.953 0.002 1 338 . 32 LEU HD2 H 0.935 0.005 1 339 . 33 LEU CA C 58.216 0.037 1 340 . 33 LEU CB C 40.574 0.022 1 341 . 33 LEU CD1 C 25.892 0.023 1 342 . 33 LEU CD2 C 22.730 0.005 1 343 . 33 LEU CG C 27.084 0.022 1 344 . 33 LEU C C 179.077 0.000 1 345 . 33 LEU HA H 3.933 0.005 1 346 . 33 LEU HB2 H 1.961 0.004 1 347 . 33 LEU HB3 H 1.399 0.001 1 348 . 33 LEU HG H 1.848 0.003 1 349 . 33 LEU H H 8.494 0.001 1 350 . 33 LEU N N 118.528 0.014 1 351 . 33 LEU HD1 H 0.864 0.003 1 352 . 33 LEU HD2 H 0.740 0.003 1 353 . 34 GLN CA C 58.763 0.015 1 354 . 34 GLN CB C 28.198 0.077 1 355 . 34 GLN CG C 34.513 0.019 1 356 . 34 GLN C C 178.919 0.000 1 357 . 34 GLN HA H 3.969 0.002 1 358 . 34 GLN HG2 H 2.639 0.001 1 359 . 34 GLN HG3 H 2.381 0.004 1 360 . 34 GLN H H 8.038 0.002 1 361 . 34 GLN N N 117.795 0.026 1 362 . 34 GLN HB2 H 2.074 0.002 1 363 . 35 GLN CA C 59.069 0.043 1 364 . 35 GLN CB C 27.615 0.043 1 365 . 35 GLN CG C 33.048 0.029 1 366 . 35 GLN C C 178.676 0.000 1 367 . 35 GLN HA H 4.026 0.005 1 368 . 35 GLN HE21 H 7.974 0.001 1 369 . 35 GLN HE22 H 6.825 0.004 1 370 . 35 GLN H H 7.830 0.002 1 371 . 35 GLN N N 120.296 0.018 1 372 . 35 GLN NE2 N 112.243 0.036 1 373 . 35 GLN HB2 H 2.243 0.006 1 374 . 35 GLN HG2 H 2.422 0.004 1 375 . 36 ILE CA C 66.166 0.014 1 376 . 36 ILE CB C 37.717 0.025 1 377 . 36 ILE CD1 C 13.614 0.016 1 378 . 36 ILE CG1 C 29.652 0.020 1 379 . 36 ILE CG2 C 17.771 0.017 1 380 . 36 ILE C C 177.696 0.000 1 381 . 36 ILE HA H 3.598 0.003 1 382 . 36 ILE HB H 1.966 0.007 1 383 . 36 ILE HG12 H 2.042 0.003 1 384 . 36 ILE HG13 H 1.007 0.005 1 385 . 36 ILE H H 8.486 0.002 1 386 . 36 ILE N N 120.040 0.022 1 387 . 36 ILE HD1 H 0.792 0.005 1 388 . 36 ILE HG2 H 0.836 0.004 1 389 . 37 GLY CA C 48.162 0.028 1 390 . 37 GLY C C 174.502 0.000 1 391 . 37 GLY HA2 H 3.815 0.003 1 392 . 37 GLY HA3 H 3.572 0.005 1 393 . 37 GLY H H 8.365 0.002 1 394 . 37 GLY N N 104.802 0.011 1 395 . 38 ARG CA C 58.498 0.017 1 396 . 38 ARG CB C 30.793 0.033 1 397 . 38 ARG CD C 43.538 0.012 1 398 . 38 ARG CG C 27.958 0.017 1 399 . 38 ARG C C 177.936 0.000 1 400 . 38 ARG HA H 4.165 0.002 1 401 . 38 ARG HD2 H 3.254 0.000 1 402 . 38 ARG HD3 H 3.212 0.002 1 403 . 38 ARG HE H 7.299 0.000 1 404 . 38 ARG HG2 H 1.821 0.003 1 405 . 38 ARG HG3 H 1.641 0.002 1 406 . 38 ARG H H 7.435 0.002 1 407 . 38 ARG N N 118.043 0.011 1 408 . 38 ARG NE N 109.569 0.000 1 409 . 38 ARG HB2 H 1.948 0.005 1 410 . 39 GLU CA C 57.684 0.011 1 411 . 39 GLU CB C 31.392 0.022 1 412 . 39 GLU CG C 36.508 0.016 1 413 . 39 GLU C C 177.155 0.000 1 414 . 39 GLU HA H 4.332 0.002 1 415 . 39 GLU HB2 H 2.155 0.002 1 416 . 39 GLU HB3 H 1.917 0.003 1 417 . 39 GLU HG2 H 2.431 0.003 1 418 . 39 GLU HG3 H 2.311 0.002 1 419 . 39 GLU H H 7.703 0.001 1 420 . 39 GLU N N 116.284 0.021 1 421 . 40 ASN CA C 51.001 0.027 1 422 . 40 ASN CB C 38.673 0.027 1 423 . 40 ASN HA H 4.985 0.004 1 424 . 40 ASN HB2 H 3.034 0.003 1 425 . 40 ASN HB3 H 2.554 0.002 1 426 . 40 ASN HD21 H 7.690 0.002 1 427 . 40 ASN HD22 H 6.938 0.004 1 428 . 40 ASN H H 9.045 0.001 1 429 . 40 ASN N N 115.993 0.030 1 430 . 40 ASN ND2 N 111.711 0.024 1 431 . 41 PRO CA C 65.416 0.012 1 432 . 41 PRO CB C 31.744 0.026 1 433 . 41 PRO CD C 50.070 0.031 1 434 . 41 PRO CG C 27.329 0.044 1 435 . 41 PRO C C 179.624 0.000 1 436 . 41 PRO HA H 4.292 0.002 1 437 . 41 PRO HB2 H 2.511 0.004 1 438 . 41 PRO HB3 H 2.013 0.005 1 439 . 41 PRO HD2 H 3.858 0.005 1 440 . 41 PRO HD3 H 3.408 0.003 1 441 . 41 PRO HG2 H 2.179 0.005 1 442 . 41 PRO HG3 H 2.113 0.005 1 443 . 42 GLN CA C 59.237 0.039 1 444 . 42 GLN CB C 27.982 0.014 1 445 . 42 GLN CG C 34.445 0.038 1 446 . 42 GLN C C 178.430 0.000 1 447 . 42 GLN HA H 4.105 0.002 1 448 . 42 GLN HB2 H 2.180 0.006 1 449 . 42 GLN HB3 H 2.084 0.004 1 450 . 42 GLN H H 8.523 0.001 1 451 . 42 GLN N N 118.023 0.026 1 452 . 42 GLN HG2 H 2.443 0.003 1 453 . 43 LEU CA C 57.170 0.019 1 454 . 43 LEU CB C 41.113 0.014 1 455 . 43 LEU CD1 C 23.304 0.007 1 456 . 43 LEU CD2 C 26.177 0.057 1 457 . 43 LEU CG C 27.224 0.033 1 458 . 43 LEU C C 178.751 0.000 1 459 . 43 LEU HA H 4.283 0.003 1 460 . 43 LEU HB2 H 1.788 0.003 1 461 . 43 LEU HB3 H 1.501 0.002 1 462 . 43 LEU HG H 1.498 0.004 1 463 . 43 LEU H H 7.608 0.002 1 464 . 43 LEU N N 121.844 0.008 1 465 . 43 LEU HD1 H 1.053 0.003 1 466 . 43 LEU HD2 H 0.957 0.006 1 467 . 44 LEU CA C 57.702 0.019 1 468 . 44 LEU CB C 40.614 0.015 1 469 . 44 LEU CD1 C 25.161 0.013 1 470 . 44 LEU CD2 C 23.562 0.009 1 471 . 44 LEU CG C 27.234 0.070 1 472 . 44 LEU C C 178.568 0.000 1 473 . 44 LEU HA H 3.965 0.004 1 474 . 44 LEU HB2 H 1.960 0.003 1 475 . 44 LEU HB3 H 1.282 0.003 1 476 . 44 LEU HG H 1.637 0.006 1 477 . 44 LEU H H 7.428 0.002 1 478 . 44 LEU N N 118.048 0.022 1 479 . 44 LEU HD1 H 0.899 0.001 1 480 . 44 LEU HD2 H 0.872 0.004 1 481 . 45 GLN CA C 58.888 0.016 1 482 . 45 GLN CB C 28.034 0.046 1 483 . 45 GLN CG C 33.726 0.014 1 484 . 45 GLN C C 178.659 0.000 1 485 . 45 GLN HA H 4.001 0.006 1 486 . 45 GLN HG2 H 2.457 0.002 1 487 . 45 GLN HG3 H 2.384 0.005 1 488 . 45 GLN H H 7.944 0.002 1 489 . 45 GLN N N 118.904 0.027 1 490 . 45 GLN HB2 H 2.206 0.004 1 491 . 46 GLN CA C 59.276 0.015 1 492 . 46 GLN CB C 28.964 0.031 1 493 . 46 GLN C C 178.686 0.000 1 494 . 46 GLN HA H 4.158 0.004 1 495 . 46 GLN HB2 H 2.344 0.003 1 496 . 46 GLN HB3 H 2.156 0.003 1 497 . 46 GLN HE21 H 7.345 0.001 1 498 . 46 GLN HE22 H 6.635 0.003 1 499 . 46 GLN HG2 H 2.555 0.002 1 500 . 46 GLN HG3 H 2.462 0.005 1 501 . 46 GLN H H 7.787 0.002 1 502 . 46 GLN N N 119.000 0.024 1 503 . 46 GLN NE2 N 110.172 0.030 1 504 . 47 ILE CA C 66.017 0.017 1 505 . 47 ILE CB C 37.800 0.021 1 506 . 47 ILE CD1 C 14.182 0.019 1 507 . 47 ILE CG1 C 29.461 0.020 1 508 . 47 ILE CG2 C 16.018 0.014 1 509 . 47 ILE C C 177.290 0.000 1 510 . 47 ILE HA H 3.378 0.003 1 511 . 47 ILE HB H 1.656 0.004 1 512 . 47 ILE HG12 H 1.598 0.003 1 513 . 47 ILE HG13 H 0.301 0.004 1 514 . 47 ILE H H 8.325 0.002 1 515 . 47 ILE N N 119.557 0.018 1 516 . 47 ILE HD1 H 0.312 0.004 1 517 . 47 ILE HG2 H 0.125 0.002 1 518 . 48 SER CA C 61.579 0.024 1 519 . 48 SER CB C 63.120 0.023 1 520 . 48 SER C C 176.490 0.000 1 521 . 48 SER HA H 4.092 0.002 1 522 . 48 SER HB2 H 3.963 0.008 1 523 . 48 SER HB3 H 3.926 0.007 1 524 . 48 SER H H 8.273 0.002 1 525 . 48 SER N N 112.459 0.023 1 526 . 49 GLN CA C 57.315 0.013 1 527 . 49 GLN CB C 29.170 0.032 1 528 . 49 GLN CG C 33.911 0.042 1 529 . 49 GLN C C 176.034 0.000 1 530 . 49 GLN HA H 4.095 0.002 1 531 . 49 GLN HB2 H 1.978 0.003 1 532 . 49 GLN HB3 H 1.793 0.002 1 533 . 49 GLN HE21 H 7.303 0.003 1 534 . 49 GLN HE22 H 6.812 0.005 1 535 . 49 GLN HG2 H 2.315 0.005 1 536 . 49 GLN HG3 H 2.151 0.005 1 537 . 49 GLN H H 7.645 0.002 1 538 . 49 GLN N N 119.274 0.042 1 539 . 49 GLN NE2 N 111.310 0.054 1 540 . 50 HIS CA C 54.497 0.012 1 541 . 50 HIS CB C 30.202 0.055 1 542 . 50 HIS C C 176.388 0.000 1 543 . 50 HIS HA H 5.152 0.002 1 544 . 50 HIS HB2 H 3.398 0.006 1 545 . 50 HIS HB3 H 2.905 0.003 1 546 . 50 HIS H H 7.674 0.003 1 547 . 50 HIS N N 119.298 0.025 1 548 . 51 GLN CA C 60.750 0.007 1 549 . 51 GLN CB C 29.278 0.014 1 550 . 51 GLN CG C 34.314 0.019 1 551 . 51 GLN C C 177.817 0.000 1 552 . 51 GLN HA H 4.077 0.002 1 553 . 51 GLN HB2 H 2.264 0.003 1 554 . 51 GLN HB3 H 2.170 0.003 1 555 . 51 GLN HE21 H 7.453 0.002 1 556 . 51 GLN HE22 H 6.621 0.002 1 557 . 51 GLN H H 7.590 0.002 1 558 . 51 GLN N N 121.426 0.031 1 559 . 51 GLN NE2 N 109.915 0.026 1 560 . 51 GLN HG2 H 2.414 0.004 1 561 . 52 GLU CA C 59.984 0.039 1 562 . 52 GLU CB C 28.710 0.036 1 563 . 52 GLU CG C 36.587 0.026 1 564 . 52 GLU C C 179.246 0.000 1 565 . 52 GLU HA H 4.078 0.004 1 566 . 52 GLU HB2 H 2.056 0.005 1 567 . 52 GLU HB3 H 2.011 0.006 1 568 . 52 GLU H H 8.919 0.001 1 569 . 52 GLU N N 118.365 0.022 1 570 . 52 GLU HG2 H 2.282 0.005 1 571 . 53 HIS CA C 58.979 0.030 1 572 . 53 HIS CB C 31.013 0.005 1 573 . 53 HIS C C 177.505 0.000 1 574 . 53 HIS HA H 4.433 0.002 1 575 . 53 HIS H H 8.028 0.001 1 576 . 53 HIS N N 119.542 0.026 1 577 . 53 HIS HB2 H 3.212 0.003 1 578 . 54 PHE CA C 61.274 0.019 1 579 . 54 PHE CB C 39.392 0.038 1 580 . 54 PHE C C 176.253 0.000 1 581 . 54 PHE HA H 4.190 0.003 1 582 . 54 PHE HB2 H 3.293 0.003 1 583 . 54 PHE HB3 H 3.102 0.004 1 584 . 54 PHE H H 8.363 0.001 1 585 . 54 PHE N N 119.991 0.034 1 586 . 55 ILE CA C 64.335 0.022 1 587 . 55 ILE CB C 37.319 0.049 1 588 . 55 ILE CD1 C 12.304 0.008 1 589 . 55 ILE CG1 C 29.057 0.009 1 590 . 55 ILE CG2 C 17.589 0.020 1 591 . 55 ILE C C 178.423 0.000 1 592 . 55 ILE HA H 3.427 0.002 1 593 . 55 ILE HB H 2.005 0.003 1 594 . 55 ILE HG12 H 1.776 0.005 1 595 . 55 ILE HG13 H 1.381 0.002 1 596 . 55 ILE H H 8.394 0.001 1 597 . 55 ILE N N 118.006 0.017 1 598 . 55 ILE HD1 H 0.884 0.004 1 599 . 55 ILE HG2 H 0.900 0.003 1 600 . 56 GLN CA C 59.233 0.026 1 601 . 56 GLN CB C 28.105 0.000 1 602 . 56 GLN CG C 33.945 0.049 1 603 . 56 GLN C C 179.259 0.000 1 604 . 56 GLN HA H 4.028 0.005 1 605 . 56 GLN HG2 H 2.524 0.004 1 606 . 56 GLN HG3 H 2.400 0.002 1 607 . 56 GLN H H 7.839 0.001 1 608 . 56 GLN N N 119.330 0.014 1 609 . 56 GLN HB2 H 2.204 0.005 1 610 . 57 MET CA C 58.879 0.027 1 611 . 57 MET CB C 33.466 0.013 1 612 . 57 MET C C 179.096 0.000 1 613 . 57 MET HA H 4.127 0.003 1 614 . 57 MET HB2 H 2.222 0.008 1 615 . 57 MET HB3 H 2.039 0.003 1 616 . 57 MET HG2 H 2.535 0.010 1 617 . 57 MET HG3 H 2.395 0.003 1 618 . 57 MET H H 8.085 0.002 1 619 . 57 MET N N 118.442 0.029 1 620 . 58 LEU CA C 56.890 0.021 1 621 . 58 LEU CB C 42.086 0.030 1 622 . 58 LEU CD1 C 26.121 0.010 1 623 . 58 LEU CD2 C 23.507 0.016 1 624 . 58 LEU CG C 26.041 0.035 1 625 . 58 LEU C C 176.899 0.000 1 626 . 58 LEU HA H 3.798 0.002 1 627 . 58 LEU HB2 H 1.691 0.001 1 628 . 58 LEU HB3 H 1.232 0.003 1 629 . 58 LEU HG H 1.285 0.005 1 630 . 58 LEU H H 7.891 0.003 1 631 . 58 LEU N N 118.837 0.029 1 632 . 58 LEU HD1 H 0.456 0.004 1 633 . 58 LEU HD2 H 0.444 0.004 1 634 . 59 ASN CA C 53.428 0.027 1 635 . 59 ASN CB C 40.189 0.014 1 636 . 59 ASN C C 175.082 0.000 1 637 . 59 ASN HA H 4.593 0.004 1 638 . 59 ASN HB2 H 2.836 0.004 1 639 . 59 ASN HB3 H 2.633 0.004 1 640 . 59 ASN HD21 H 7.444 0.002 1 641 . 59 ASN HD22 H 6.793 0.003 1 642 . 59 ASN H H 7.450 0.002 1 643 . 59 ASN N N 114.427 0.042 1 644 . 59 ASN ND2 N 112.395 0.039 1 645 . 60 GLU CA C 55.163 0.015 1 646 . 60 GLU CB C 29.504 0.016 1 647 . 60 GLU CG C 36.111 0.010 1 648 . 60 GLU HA H 4.443 0.002 1 649 . 60 GLU HG2 H 2.520 0.001 1 650 . 60 GLU HG3 H 2.331 0.003 1 651 . 60 GLU H H 7.354 0.002 1 652 . 60 GLU N N 122.591 0.005 1 653 . 60 GLU HB2 H 2.010 0.003 1 654 . 61 PRO CA C 63.094 0.010 1 655 . 61 PRO CB C 32.132 0.020 1 656 . 61 PRO CD C 50.733 0.025 1 657 . 61 PRO CG C 27.505 0.021 1 658 . 61 PRO C C 176.994 0.000 1 659 . 61 PRO HA H 4.481 0.002 1 660 . 61 PRO HB2 H 2.286 0.003 1 661 . 61 PRO HB3 H 1.851 0.004 1 662 . 61 PRO HD2 H 3.897 0.001 1 663 . 61 PRO HD3 H 3.648 0.002 1 664 . 61 PRO HG2 H 2.022 0.003 1 665 . 62 VAL CA C 62.584 0.060 1 666 . 62 VAL CB C 32.654 0.018 1 667 . 62 VAL CG1 C 20.932 0.011 1 668 . 62 VAL CG2 C 21.294 0.016 1 669 . 62 VAL C C 176.140 0.000 1 670 . 62 VAL HA H 4.000 0.005 1 671 . 62 VAL HB H 2.019 0.001 1 672 . 62 VAL H H 8.401 0.003 1 673 . 62 VAL N N 121.326 0.002 1 674 . 62 VAL HG1 H 0.929 0.003 1 675 . 62 VAL HG2 H 0.904 0.005 1 676 . 63 GLN CA C 55.556 0.009 1 677 . 63 GLN CB C 29.670 0.009 1 678 . 63 GLN CG C 33.801 0.043 1 679 . 63 GLN C C 175.679 0.000 1 680 . 63 GLN HA H 4.353 0.002 1 681 . 63 GLN HB2 H 2.055 0.004 1 682 . 63 GLN HB3 H 1.947 0.004 1 683 . 63 GLN HE21 H 7.528 0.000 1 684 . 63 GLN HG2 H 2.372 0.000 1 685 . 63 GLN HG3 H 2.333 0.004 1 686 . 63 GLN H H 8.430 0.001 1 687 . 63 GLN N N 124.838 0.021 1 688 . 63 GLN NE2 N 111.796 0.000 1 689 . 64 GLU CA C 56.516 0.019 1 690 . 64 GLU CB C 30.402 0.013 1 691 . 64 GLU CG C 36.214 0.017 1 692 . 64 GLU C C 176.242 0.000 1 693 . 64 GLU HA H 4.252 0.003 1 694 . 64 GLU HB2 H 2.033 0.002 1 695 . 64 GLU HB3 H 1.921 0.004 1 696 . 64 GLU H H 8.517 0.001 1 697 . 64 GLU N N 123.320 0.017 1 698 . 64 GLU HG2 H 2.242 0.003 1 699 . 65 ALA CA C 52.696 0.012 1 700 . 65 ALA CB C 19.241 0.015 1 701 . 65 ALA C C 178.259 0.000 1 702 . 65 ALA HA H 4.329 0.002 1 703 . 65 ALA H H 8.463 0.001 1 704 . 65 ALA N N 125.792 0.021 1 705 . 65 ALA HB H 1.397 0.001 1 706 . 66 GLY CA C 45.311 0.000 1 707 . 66 GLY C C 174.900 0.000 1 708 . 66 GLY HA2 H 4.746 0.000 1 709 . 66 GLY HA3 H 3.985 0.002 1 710 . 66 GLY H H 8.426 0.000 1 711 . 66 GLY N N 108.363 0.012 1 712 . 67 GLY CA C 45.311 0.000 1 713 . 67 GLY C C 174.495 0.000 1 714 . 67 GLY HA2 H 4.742 0.000 1 715 . 67 GLY HA3 H 3.985 0.002 1 716 . 67 GLY H H 8.284 0.001 1 717 . 67 GLY N N 108.621 0.014 1 718 . 68 GLN C C 176.745 0.000 1 719 . 68 GLN HA H 4.389 0.000 1 720 . 68 GLN HB2 H 2.165 0.000 1 721 . 68 GLN HB3 H 2.008 0.000 1 722 . 68 GLN HE21 H 7.533 0.000 1 723 . 68 GLN HE22 H 6.847 0.000 1 724 . 68 GLN H H 8.395 0.003 1 725 . 68 GLN N N 119.858 0.038 1 726 . 68 GLN NE2 N 112.436 0.030 1 727 . 68 GLN HG2 H 2.359 0.000 1 728 . 69 GLY CA C 45.311 0.000 1 729 . 69 GLY C C 174.787 0.000 1 730 . 69 GLY HA2 H 4.747 0.000 1 731 . 69 GLY HA3 H 3.985 0.002 1 732 . 69 GLY H H 8.529 0.002 1 733 . 69 GLY N N 110.143 0.001 1 734 . 70 GLY CA C 45.303 0.000 1 735 . 70 GLY C C 174.811 0.000 1 736 . 70 GLY HA2 H 4.743 0.000 1 737 . 70 GLY HA3 H 3.978 0.001 1 738 . 70 GLY H H 8.345 0.002 1 739 . 70 GLY N N 109.210 0.026 1 740 . 71 GLY CA C 45.311 0.000 1 741 . 71 GLY C C 173.831 0.000 1 742 . 71 GLY HA2 H 4.744 0.000 1 743 . 71 GLY HA3 H 3.985 0.002 1 744 . 71 GLY H H 8.313 0.004 1 745 . 71 GLY N N 108.905 0.000 1 746 . 72 GLY HA2 H 4.745 0.000 1 747 . 72 GLY H H 8.001 0.002 1 748 . 72 GLY N N 115.294 0.038 1 stop_ save_