data_19614 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The basic-helix-loop-helix region of the transcriptional repressor HES-1 is preorganized to bind DNA ; _BMRB_accession_number 19614 _BMRB_flat_file_name bmr19614.str _Entry_type original _Submission_date 2013-11-15 _Accession_date 2013-11-15 _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 Wienk Hans . . 2 Popovic Matija . . 3 Coglievina Maristella . . 4 Boelens Rolf . . 5 Pongor Sandor . . 6 Pintar Alessandro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 828 "13C chemical shifts" 604 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-23 update BMRB 'update entry citation' 2014-02-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The basic helix-loop-helix region of the transcriptional repressor hairy and enhancer of split 1 is preorganized to bind DNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24403087 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Popovic Matija . . 2 Wienk Hans . . 3 Coglievina Maristella . . 4 Boelens Rolf . . 5 Pongor Sandor . . 6 Pintar Alessandro . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 82 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 537 _Page_last 545 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'basic-helix-loop-helix region of the transcriptional repressor HES-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HES-1_1 $entity HES-1_2 $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8227.798 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; MKPKTASEHRKSSKPIMEKR RRARINESLSQLKTLILDAL KKDSSRHSKLEKADILEMTV KHLRNLQRAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 MET 2 27 LYS 3 28 PRO 4 29 LYS 5 30 THR 6 31 ALA 7 32 SER 8 33 GLU 9 34 HIS 10 35 ARG 11 36 LYS 12 37 SER 13 38 SER 14 39 LYS 15 40 PRO 16 41 ILE 17 42 MET 18 43 GLU 19 44 LYS 20 45 ARG 21 46 ARG 22 47 ARG 23 48 ALA 24 49 ARG 25 50 ILE 26 51 ASN 27 52 GLU 28 53 SER 29 54 LEU 30 55 SER 31 56 GLN 32 57 LEU 33 58 LYS 34 59 THR 35 60 LEU 36 61 ILE 37 62 LEU 38 63 ASP 39 64 ALA 40 65 LEU 41 66 LYS 42 67 LYS 43 68 ASP 44 69 SER 45 70 SER 46 71 ARG 47 72 HIS 48 73 SER 49 74 LYS 50 75 LEU 51 76 GLU 52 77 LYS 53 78 ALA 54 79 ASP 55 80 ILE 56 81 LEU 57 82 GLU 58 83 MET 59 84 THR 60 85 VAL 61 86 LYS 62 87 HIS 63 88 LEU 64 89 ARG 65 90 ASN 66 91 LEU 67 92 GLN 68 93 ARG 69 94 ALA 70 95 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2MH3 "Nmr Structure Of The Basic Helix-loop-helix Region Of The Transcriptional Repressor Hes-1" 100.00 70 100.00 100.00 3.05e-39 DBJ BAA02682 "HES-1 factor [Rattus norvegicus]" 98.57 281 100.00 100.00 1.77e-35 DBJ BAA03931 "helix-loop-helix factor HES-1 [Mus musculus]" 98.57 282 100.00 100.00 3.41e-35 DBJ BAA91149 "unnamed protein product [Homo sapiens]" 98.57 280 100.00 100.00 5.18e-36 DBJ BAE21226 "unnamed protein product [Mus musculus]" 98.57 282 100.00 100.00 4.49e-35 DBJ BAE21713 "unnamed protein product [Mus musculus]" 98.57 282 100.00 100.00 3.41e-35 EMBL CAA65998 "HER-6 protein [Danio rerio]" 98.57 334 97.10 98.55 1.89e-36 EMBL CAG08099 "unnamed protein product, partial [Tetraodon nigroviridis]" 98.57 277 98.55 98.55 6.23e-34 EMBL CAG46641 "HES1 [Homo sapiens]" 98.57 280 100.00 100.00 5.18e-36 EMBL CAJ82991 "Helix-loop-helix DNA-binding domain protein with Hairy Orange domain, similar to hes1 [Xenopus (Silurana) tropicalis]" 98.57 267 97.10 97.10 6.09e-37 EMBL CDQ79517 "unnamed protein product [Oncorhynchus mykiss]" 98.57 270 98.55 98.55 1.38e-37 GB AAA41307 "hairy [Rattus norvegicus]" 98.57 281 97.10 97.10 2.52e-34 GB AAA65220 "also called HHL [Homo sapiens]" 98.57 280 100.00 100.00 5.18e-36 GB AAA79185 "hairy1 [Xenopus laevis]" 98.57 266 97.10 97.10 1.65e-33 GB AAF73060 "hairy [Homo sapiens]" 98.57 280 100.00 100.00 5.18e-36 GB AAH18375 "Hairy and enhancer of split 1 (Drosophila) [Mus musculus]" 98.57 282 100.00 100.00 3.41e-35 PRF 1905315A "HES-1 protein" 98.57 281 100.00 100.00 1.77e-35 REF NP_001011194 "transcription factor HES-1 [Xenopus (Silurana) tropicalis]" 98.57 267 97.10 97.10 6.09e-37 REF NP_001029850 "transcription factor HES-1 [Bos taurus]" 98.57 280 100.00 100.00 3.35e-36 REF NP_001079386 "transcription factor HES-1-B [Xenopus laevis]" 98.57 267 97.10 97.10 6.16e-37 REF NP_001081396 "transcription factor HES-1-A [Xenopus laevis]" 98.57 267 97.10 97.10 1.87e-33 REF NP_001098313 "transcription factor HES-1 [Oryzias latipes]" 98.57 277 98.55 98.55 1.82e-37 SP P35428 "RecName: Full=Transcription factor HES-1; AltName: Full=Hairy and enhancer of split 1" 98.57 282 100.00 100.00 3.41e-35 SP Q04666 "RecName: Full=Transcription factor HES-1; AltName: Full=Hairy and enhancer of split 1; AltName: Full=Hairy-like protein; AltNam" 98.57 281 100.00 100.00 1.77e-35 SP Q14469 "RecName: Full=Transcription factor HES-1; AltName: Full=Class B basic helix-loop-helix protein 39; Short=bHLHb39; AltName: Full" 98.57 280 100.00 100.00 5.18e-36 SP Q3ZBG4 "RecName: Full=Transcription factor HES-1; AltName: Full=Hairy and enhancer of split 1" 98.57 280 100.00 100.00 3.35e-36 SP Q5PPM5 "RecName: Full=Transcription factor HES-1; AltName: Full=Hairy and enhancer of split 1; AltName: Full=Protein hairy-1" 98.57 267 97.10 97.10 6.09e-37 TPG DAA33369 "TPA: transcription factor HES-1 [Bos taurus]" 98.57 280 100.00 100.00 3.35e-36 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 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 $entity 'recombinant technology' . Escherichia coli . plasmid 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 2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN_ANALYSIS _Saveframe_category software _Name CCPN_ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CS-Rosetta _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task 'structure model' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address 'Vuister et al' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_triple_resonance_assignment_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'triple resonance assignment' _Sample_label $sample_1 save_ save_relaxation_2 _Saveframe_category NMR_applied_experiment _Experiment_name relaxation _Sample_label $sample_1 save_ save_DNA_titration_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'DNA titration' _Sample_label $sample_1 save_ save_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'triple resonance assignment' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HES-1_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 26 1 MET HA H 4.044 0.006 . 2 26 1 MET HB2 H 2.097 0.004 . 3 26 1 MET HB3 H 2.097 0.004 . 4 26 1 MET HG2 H 2.561 0.007 . 5 26 1 MET HG3 H 2.561 0.007 . 6 26 1 MET CA C 54.863 0.121 . 7 26 1 MET CB C 33.161 0.075 . 8 26 1 MET CG C 30.760 0.047 . 9 27 2 LYS HA H 4.626 0.006 . 10 27 2 LYS HB2 H 1.726 0.003 . 11 27 2 LYS HB3 H 1.798 0.006 . 12 27 2 LYS HG2 H 1.471 0.006 . 13 27 2 LYS HG3 H 1.471 0.006 . 14 27 2 LYS HD2 H 1.675 0.006 . 15 27 2 LYS HD3 H 1.675 0.006 . 16 27 2 LYS HE2 H 2.967 0.004 . 17 27 2 LYS HE3 H 2.967 0.004 . 18 27 2 LYS CA C 54.410 0.043 . 19 27 2 LYS CB C 32.346 0.068 . 20 27 2 LYS CG C 24.615 0.059 . 21 27 2 LYS CD C 29.107 0.000 . 22 27 2 LYS CE C 41.755 0.020 . 23 28 3 PRO HA H 4.402 0.006 . 24 28 3 PRO HB2 H 2.283 0.009 . 25 28 3 PRO HB3 H 1.859 0.005 . 26 28 3 PRO HG2 H 2.000 0.004 . 27 28 3 PRO HG3 H 2.000 0.004 . 28 28 3 PRO HD2 H 3.628 0.005 . 29 28 3 PRO HD3 H 3.852 0.006 . 30 28 3 PRO C C 176.815 0.009 . 31 28 3 PRO CA C 62.876 0.057 . 32 28 3 PRO CB C 32.162 0.077 . 33 28 3 PRO CG C 27.426 0.069 . 34 28 3 PRO CD C 50.721 0.034 . 35 29 4 LYS H H 8.586 0.005 . 36 29 4 LYS HA H 4.297 0.006 . 37 29 4 LYS HB2 H 1.741 0.006 . 38 29 4 LYS HB3 H 1.797 0.009 . 39 29 4 LYS HG2 H 1.415 0.005 . 40 29 4 LYS HG3 H 1.475 0.005 . 41 29 4 LYS HD2 H 1.665 0.005 . 42 29 4 LYS HD3 H 1.665 0.005 . 43 29 4 LYS HE2 H 2.962 0.004 . 44 29 4 LYS HE3 H 2.962 0.004 . 45 29 4 LYS C C 176.961 0.033 . 46 29 4 LYS CA C 56.463 0.048 . 47 29 4 LYS CB C 32.816 0.112 . 48 29 4 LYS CG C 24.816 0.069 . 49 29 4 LYS CD C 29.035 0.047 . 50 29 4 LYS CE C 41.807 0.096 . 51 29 4 LYS N N 122.449 0.016 . 52 30 5 THR H H 8.219 0.007 . 53 30 5 THR HA H 4.293 0.004 . 54 30 5 THR HB H 4.202 0.011 . 55 30 5 THR HG2 H 1.190 0.004 . 56 30 5 THR C C 174.354 0.003 . 57 30 5 THR CA C 61.555 0.093 . 58 30 5 THR CB C 69.949 0.102 . 59 30 5 THR CG2 C 21.663 0.088 . 60 30 5 THR N N 115.695 0.016 . 61 31 6 ALA H H 8.505 0.003 . 62 31 6 ALA HA H 4.312 0.005 . 63 31 6 ALA HB H 1.388 0.005 . 64 31 6 ALA C C 178.014 0.016 . 65 31 6 ALA CA C 52.781 0.151 . 66 31 6 ALA CB C 19.125 0.137 . 67 31 6 ALA N N 125.923 3.266 . 68 32 7 SER H H 8.365 0.003 . 69 32 7 SER HA H 4.338 0.004 . 70 32 7 SER HB2 H 3.796 0.002 . 71 32 7 SER HB3 H 3.829 0.008 . 72 32 7 SER C C 174.783 0.005 . 73 32 7 SER CA C 58.633 0.079 . 74 32 7 SER CB C 63.475 0.087 . 75 32 7 SER N N 115.249 0.019 . 76 33 8 GLU H H 8.390 0.006 . 77 33 8 GLU HA H 4.205 0.004 . 78 33 8 GLU HB2 H 1.891 0.009 . 79 33 8 GLU HB3 H 1.950 0.004 . 80 33 8 GLU HG2 H 2.136 0.006 . 81 33 8 GLU HG3 H 2.192 0.004 . 82 33 8 GLU C C 176.411 0.014 . 83 33 8 GLU CA C 56.678 0.044 . 84 33 8 GLU CB C 30.241 0.093 . 85 33 8 GLU CG C 36.172 0.043 . 86 33 8 GLU N N 122.748 0.034 . 87 34 9 HIS H H 8.431 0.005 . 88 34 9 HIS HA H 4.605 0.011 . 89 34 9 HIS HB2 H 3.072 0.006 . 90 34 9 HIS HB3 H 3.160 0.004 . 91 34 9 HIS C C 175.167 0.003 . 92 34 9 HIS CA C 56.035 0.082 . 93 34 9 HIS CB C 29.938 0.072 . 94 34 9 HIS N N 120.453 0.020 . 95 35 10 ARG H H 8.419 0.005 . 96 35 10 ARG HA H 4.261 0.005 . 97 35 10 ARG HB2 H 1.747 0.006 . 98 35 10 ARG HB3 H 1.817 0.005 . 99 35 10 ARG HG2 H 1.583 0.006 . 100 35 10 ARG HG3 H 1.680 0.007 . 101 35 10 ARG HD2 H 3.166 0.007 . 102 35 10 ARG HD3 H 3.166 0.007 . 103 35 10 ARG C C 176.411 0.013 . 104 35 10 ARG CA C 56.306 0.069 . 105 35 10 ARG CB C 30.587 0.082 . 106 35 10 ARG CG C 27.105 0.117 . 107 35 10 ARG CD C 43.170 0.066 . 108 35 10 ARG N N 122.797 0.024 . 109 36 11 LYS H H 8.482 0.003 . 110 36 11 LYS HA H 4.288 0.008 . 111 36 11 LYS HB2 H 1.788 0.014 . 112 36 11 LYS HB3 H 1.788 0.014 . 113 36 11 LYS HG2 H 1.456 0.015 . 114 36 11 LYS HG3 H 1.456 0.015 . 115 36 11 LYS HD2 H 1.672 0.006 . 116 36 11 LYS HD3 H 1.672 0.006 . 117 36 11 LYS HE2 H 2.967 0.005 . 118 36 11 LYS HE3 H 2.967 0.005 . 119 36 11 LYS C C 176.738 0.012 . 120 36 11 LYS CA C 56.514 0.060 . 121 36 11 LYS CB C 32.857 0.076 . 122 36 11 LYS CG C 24.785 0.060 . 123 36 11 LYS CD C 29.036 0.028 . 124 36 11 LYS CE C 41.982 0.153 . 125 36 11 LYS N N 122.974 0.029 . 126 37 12 SER H H 8.410 0.007 . 127 37 12 SER HA H 4.469 0.005 . 128 37 12 SER HB2 H 3.820 0.005 . 129 37 12 SER HB3 H 3.878 0.002 . 130 37 12 SER C C 174.495 0.002 . 131 37 12 SER CA C 58.115 0.078 . 132 37 12 SER CB C 63.627 0.212 . 133 37 12 SER N N 117.137 0.021 . 134 38 13 SER H H 8.456 0.006 . 135 38 13 SER HA H 4.467 0.007 . 136 38 13 SER HB2 H 3.875 0.007 . 137 38 13 SER HB3 H 3.875 0.007 . 138 38 13 SER C C 174.332 0.015 . 139 38 13 SER CA C 58.187 0.068 . 140 38 13 SER CB C 63.703 0.111 . 141 38 13 SER N N 118.622 0.019 . 142 39 14 LYS H H 8.489 0.003 . 143 39 14 LYS HA H 4.478 0.005 . 144 39 14 LYS HB2 H 1.775 0.010 . 145 39 14 LYS HB3 H 1.841 0.006 . 146 39 14 LYS HG2 H 1.415 0.006 . 147 39 14 LYS HG3 H 1.511 0.001 . 148 39 14 LYS HD2 H 1.680 0.005 . 149 39 14 LYS HD3 H 1.680 0.005 . 150 39 14 LYS HE2 H 2.968 0.001 . 151 39 14 LYS HE3 H 2.968 0.001 . 152 39 14 LYS C C 174.904 0.000 . 153 39 14 LYS CA C 56.707 0.048 . 154 39 14 LYS CB C 31.595 0.036 . 155 39 14 LYS CG C 24.923 0.050 . 156 39 14 LYS CD C 29.083 0.000 . 157 39 14 LYS CE C 41.815 0.003 . 158 39 14 LYS N N 124.176 0.025 . 159 40 15 PRO HA H 4.401 0.008 . 160 40 15 PRO HB2 H 2.302 0.009 . 161 40 15 PRO HB3 H 1.849 0.017 . 162 40 15 PRO HG2 H 1.999 0.006 . 163 40 15 PRO HG3 H 2.048 0.006 . 164 40 15 PRO HD2 H 3.693 0.009 . 165 40 15 PRO HD3 H 3.795 0.005 . 166 40 15 PRO C C 178.173 0.037 . 167 40 15 PRO CA C 64.315 0.080 . 168 40 15 PRO CB C 31.675 0.135 . 169 40 15 PRO CG C 27.748 0.069 . 170 40 15 PRO CD C 50.419 0.038 . 171 41 16 ILE H H 8.011 0.007 . 172 41 16 ILE HA H 3.967 0.005 . 173 41 16 ILE HB H 1.921 0.012 . 174 41 16 ILE HG12 H 1.235 0.005 . 175 41 16 ILE HG13 H 1.526 0.015 . 176 41 16 ILE HG2 H 0.914 0.007 . 177 41 16 ILE HD1 H 0.867 0.005 . 178 41 16 ILE C C 177.393 0.003 . 179 41 16 ILE CA C 62.575 0.036 . 180 41 16 ILE CB C 37.900 0.068 . 181 41 16 ILE CG1 C 28.159 0.052 . 182 41 16 ILE CG2 C 17.387 0.028 . 183 41 16 ILE CD1 C 12.679 0.053 . 184 41 16 ILE N N 120.414 0.029 . 185 42 17 MET H H 8.335 0.006 . 186 42 17 MET HA H 4.330 0.004 . 187 42 17 MET HB2 H 2.084 0.007 . 188 42 17 MET HB3 H 2.134 0.002 . 189 42 17 MET HG2 H 2.549 0.007 . 190 42 17 MET HG3 H 2.660 0.006 . 191 42 17 MET HE H 1.863 0.007 . 192 42 17 MET C C 178.050 0.002 . 193 42 17 MET CA C 56.959 0.074 . 194 42 17 MET CB C 32.024 0.100 . 195 42 17 MET CG C 32.129 0.046 . 196 42 17 MET N N 122.411 0.029 . 197 43 18 GLU H H 8.397 0.006 . 198 43 18 GLU HA H 4.193 0.012 . 199 43 18 GLU HB2 H 2.030 0.010 . 200 43 18 GLU HB3 H 2.030 0.010 . 201 43 18 GLU HG2 H 2.298 0.007 . 202 43 18 GLU HG3 H 2.298 0.007 . 203 43 18 GLU C C 177.835 0.026 . 204 43 18 GLU CA C 58.157 0.058 . 205 43 18 GLU CB C 29.543 0.099 . 206 43 18 GLU CG C 35.943 0.009 . 207 43 18 GLU N N 121.832 0.044 . 208 44 19 LYS H H 8.124 0.009 . 209 44 19 LYS HA H 4.083 0.028 . 210 44 19 LYS HB2 H 1.880 0.015 . 211 44 19 LYS HB3 H 1.880 0.015 . 212 44 19 LYS HG2 H 1.416 0.007 . 213 44 19 LYS HG3 H 1.528 0.011 . 214 44 19 LYS HD2 H 1.664 0.005 . 215 44 19 LYS HD3 H 1.664 0.005 . 216 44 19 LYS HE2 H 2.950 0.006 . 217 44 19 LYS HE3 H 2.950 0.006 . 218 44 19 LYS C C 178.745 0.003 . 219 44 19 LYS CA C 58.846 0.062 . 220 44 19 LYS CB C 32.493 0.124 . 221 44 19 LYS CG C 25.202 0.102 . 222 44 19 LYS CD C 29.297 0.078 . 223 44 19 LYS CE C 41.982 0.141 . 224 44 19 LYS N N 121.347 0.051 . 225 45 20 ARG H H 8.219 0.009 . 226 45 20 ARG HA H 4.247 0.008 . 227 45 20 ARG HB2 H 1.897 0.010 . 228 45 20 ARG HB3 H 1.897 0.010 . 229 45 20 ARG HG2 H 1.657 0.006 . 230 45 20 ARG HG3 H 1.740 0.009 . 231 45 20 ARG HD2 H 3.182 0.010 . 232 45 20 ARG HD3 H 3.182 0.010 . 233 45 20 ARG C C 178.025 0.004 . 234 45 20 ARG CA C 58.201 0.091 . 235 45 20 ARG CB C 29.888 0.081 . 236 45 20 ARG CG C 27.334 0.114 . 237 45 20 ARG CD C 43.235 0.092 . 238 45 20 ARG N N 120.603 0.040 . 239 46 21 ARG H H 8.245 0.013 . 240 46 21 ARG HA H 3.908 0.023 . 241 46 21 ARG HB2 H 1.835 0.009 . 242 46 21 ARG HB3 H 1.913 0.006 . 243 46 21 ARG HG2 H 1.590 0.007 . 244 46 21 ARG HG3 H 1.693 0.011 . 245 46 21 ARG HD2 H 3.192 0.006 . 246 46 21 ARG HD3 H 3.192 0.006 . 247 46 21 ARG C C 177.855 0.013 . 248 46 21 ARG CA C 59.726 0.082 . 249 46 21 ARG CB C 30.215 0.119 . 250 46 21 ARG CG C 28.016 0.060 . 251 46 21 ARG CD C 43.333 0.065 . 252 46 21 ARG N N 121.714 0.075 . 253 47 22 ARG H H 8.233 0.013 . 254 47 22 ARG HA H 3.961 0.005 . 255 47 22 ARG HB2 H 1.884 0.018 . 256 47 22 ARG HB3 H 1.884 0.018 . 257 47 22 ARG HG2 H 1.694 0.005 . 258 47 22 ARG HG3 H 1.694 0.005 . 259 47 22 ARG HD2 H 3.179 0.015 . 260 47 22 ARG HD3 H 3.179 0.015 . 261 47 22 ARG C C 177.899 0.017 . 262 47 22 ARG CA C 58.541 0.163 . 263 47 22 ARG CB C 29.704 0.200 . 264 47 22 ARG CG C 27.030 0.157 . 265 47 22 ARG CD C 42.966 0.104 . 266 47 22 ARG N N 118.469 0.083 . 267 48 23 ALA H H 7.962 0.006 . 268 48 23 ALA HA H 4.205 0.005 . 269 48 23 ALA HB H 1.505 0.009 . 270 48 23 ALA C C 180.284 0.013 . 271 48 23 ALA CA C 54.815 0.042 . 272 48 23 ALA CB C 18.025 0.086 . 273 48 23 ALA N N 121.720 0.115 . 274 49 24 ARG H H 8.103 0.007 . 275 49 24 ARG C C 179.589 0.000 . 276 49 24 ARG CA C 59.291 0.062 . 277 49 24 ARG CB C 30.993 0.000 . 278 49 24 ARG N N 119.603 0.075 . 279 50 25 ILE H H 8.145 0.007 . 280 50 25 ILE HA H 3.662 0.005 . 281 50 25 ILE HB H 1.856 0.011 . 282 50 25 ILE HG2 H 0.810 0.005 . 283 50 25 ILE HD1 H 0.824 0.004 . 284 50 25 ILE C C 177.372 0.000 . 285 50 25 ILE CA C 65.302 0.049 . 286 50 25 ILE CB C 38.216 0.200 . 287 50 25 ILE CG1 C 29.848 0.055 . 288 50 25 ILE CG2 C 16.521 0.062 . 289 50 25 ILE CD1 C 13.679 0.142 . 290 50 25 ILE N N 121.545 0.071 . 291 51 26 ASN H H 8.431 0.006 . 292 51 26 ASN HA H 4.407 0.023 . 293 51 26 ASN HB2 H 2.825 0.005 . 294 51 26 ASN HB3 H 2.855 0.002 . 295 51 26 ASN HD21 H 6.991 0.002 . 296 51 26 ASN HD22 H 7.640 0.001 . 297 51 26 ASN C C 178.725 0.009 . 298 51 26 ASN CA C 56.205 0.132 . 299 51 26 ASN CB C 37.594 0.138 . 300 51 26 ASN N N 117.894 0.040 . 301 51 26 ASN ND2 N 112.006 0.041 . 302 52 27 GLU H H 8.299 0.006 . 303 52 27 GLU HA H 4.205 0.006 . 304 52 27 GLU HB2 H 2.078 0.006 . 305 52 27 GLU HB3 H 2.170 0.007 . 306 52 27 GLU HG2 H 2.319 0.006 . 307 52 27 GLU HG3 H 2.319 0.006 . 308 52 27 GLU C C 179.243 0.019 . 309 52 27 GLU CA C 59.291 0.092 . 310 52 27 GLU CB C 29.101 0.124 . 311 52 27 GLU CG C 35.906 0.053 . 312 52 27 GLU N N 121.612 0.053 . 313 53 28 SER H H 8.254 0.007 . 314 53 28 SER C C 176.283 0.000 . 315 53 28 SER CA C 63.032 0.175 . 316 53 28 SER N N 116.604 0.031 . 317 54 29 LEU H H 8.693 0.004 . 318 54 29 LEU HA H 3.962 0.009 . 319 54 29 LEU HB2 H 1.520 0.010 . 320 54 29 LEU HB3 H 1.945 0.013 . 321 54 29 LEU HG H 1.831 0.009 . 322 54 29 LEU HD1 H 0.752 0.009 . 323 54 29 LEU HD2 H 0.825 0.013 . 324 54 29 LEU C C 178.897 0.000 . 325 54 29 LEU CA C 58.116 0.125 . 326 54 29 LEU CB C 41.576 0.163 . 327 54 29 LEU CG C 27.116 0.122 . 328 54 29 LEU CD1 C 25.932 0.123 . 329 54 29 LEU CD2 C 23.511 0.084 . 330 54 29 LEU N N 121.925 0.023 . 331 55 30 SER H H 7.823 0.007 . 332 55 30 SER HA H 4.181 0.011 . 333 55 30 SER HB2 H 4.052 0.015 . 334 55 30 SER HB3 H 4.052 0.015 . 335 55 30 SER C C 177.381 0.000 . 336 55 30 SER CA C 61.568 0.095 . 337 55 30 SER CB C 62.527 0.096 . 338 55 30 SER N N 114.515 0.035 . 339 56 31 GLN H H 7.886 0.007 . 340 56 31 GLN HA H 4.087 0.008 . 341 56 31 GLN HB2 H 2.318 0.003 . 342 56 31 GLN HB3 H 2.318 0.003 . 343 56 31 GLN HG2 H 2.401 0.007 . 344 56 31 GLN HG3 H 2.638 0.007 . 345 56 31 GLN HE21 H 6.809 0.004 . 346 56 31 GLN HE22 H 7.558 0.004 . 347 56 31 GLN C C 178.904 0.015 . 348 56 31 GLN CA C 58.679 0.092 . 349 56 31 GLN CB C 28.669 0.220 . 350 56 31 GLN CG C 33.897 0.047 . 351 56 31 GLN N N 120.605 0.057 . 352 56 31 GLN NE2 N 111.661 0.032 . 353 57 32 LEU H H 8.845 0.006 . 354 57 32 LEU HA H 3.953 0.011 . 355 57 32 LEU HB2 H 1.657 0.011 . 356 57 32 LEU HB3 H 1.657 0.011 . 357 57 32 LEU HD1 H 0.848 0.008 . 358 57 32 LEU HD2 H 0.792 0.006 . 359 57 32 LEU C C 177.406 0.026 . 360 57 32 LEU CA C 57.957 0.156 . 361 57 32 LEU CB C 41.486 0.164 . 362 57 32 LEU CD1 C 24.575 0.000 . 363 57 32 LEU CD2 C 24.541 0.120 . 364 57 32 LEU N N 120.488 0.100 . 365 58 33 LYS H H 8.145 0.007 . 366 58 33 LYS HE2 H 2.865 0.007 . 367 58 33 LYS HE3 H 2.865 0.007 . 368 58 33 LYS C C 176.891 0.018 . 369 58 33 LYS CA C 60.535 0.118 . 370 58 33 LYS CB C 31.903 0.114 . 371 58 33 LYS N N 118.053 0.045 . 372 59 34 THR H H 7.393 0.006 . 373 59 34 THR HA H 3.812 0.003 . 374 59 34 THR HB H 4.181 0.007 . 375 59 34 THR HG2 H 1.214 0.012 . 376 59 34 THR C C 176.273 0.000 . 377 59 34 THR CA C 66.367 0.074 . 378 59 34 THR CB C 68.902 0.111 . 379 59 34 THR CG2 C 21.928 0.048 . 380 59 34 THR N N 112.948 0.046 . 381 60 35 LEU H H 8.005 0.008 . 382 60 35 LEU HA H 4.066 0.011 . 383 60 35 LEU HG H 1.756 0.005 . 384 60 35 LEU HD1 H 0.899 0.015 . 385 60 35 LEU HD2 H 0.817 0.008 . 386 60 35 LEU C C 179.994 0.038 . 387 60 35 LEU CA C 58.096 0.064 . 388 60 35 LEU CB C 43.107 0.095 . 389 60 35 LEU CD1 C 27.686 0.068 . 390 60 35 LEU CD2 C 23.473 0.032 . 391 60 35 LEU N N 120.435 0.051 . 392 61 36 ILE H H 8.847 0.007 . 393 61 36 ILE HA H 3.934 0.009 . 394 61 36 ILE HB H 1.791 0.006 . 395 61 36 ILE HG12 H 1.266 0.011 . 396 61 36 ILE HG13 H 1.335 0.007 . 397 61 36 ILE HG2 H 0.860 0.008 . 398 61 36 ILE HD1 H 0.715 0.008 . 399 61 36 ILE C C 176.957 0.001 . 400 61 36 ILE CA C 60.979 0.132 . 401 61 36 ILE CB C 37.229 0.091 . 402 61 36 ILE CG1 C 28.534 0.085 . 403 61 36 ILE CG2 C 19.083 0.072 . 404 61 36 ILE CD1 C 13.754 0.048 . 405 61 36 ILE N N 120.041 0.074 . 406 62 37 LEU H H 7.944 0.006 . 407 62 37 LEU HA H 3.909 0.007 . 408 62 37 LEU HB2 H 1.320 0.012 . 409 62 37 LEU HB3 H 1.862 0.008 . 410 62 37 LEU HD1 H 0.746 0.008 . 411 62 37 LEU HD2 H 0.602 0.005 . 412 62 37 LEU C C 179.562 0.000 . 413 62 37 LEU CA C 58.035 0.069 . 414 62 37 LEU CB C 40.219 0.115 . 415 62 37 LEU CD1 C 26.023 0.038 . 416 62 37 LEU CD2 C 22.533 0.055 . 417 62 37 LEU N N 121.236 0.025 . 418 63 38 ASP H H 7.844 0.006 . 419 63 38 ASP HA H 4.458 0.012 . 420 63 38 ASP HB2 H 2.592 0.006 . 421 63 38 ASP HB3 H 2.766 0.007 . 422 63 38 ASP C C 178.858 0.008 . 423 63 38 ASP CA C 56.964 0.107 . 424 63 38 ASP CB C 40.822 0.138 . 425 63 38 ASP N N 117.983 0.027 . 426 64 39 ALA H H 7.869 0.007 . 427 64 39 ALA HA H 4.086 0.022 . 428 64 39 ALA HB H 1.244 0.009 . 429 64 39 ALA C C 179.354 0.003 . 430 64 39 ALA CA C 54.396 0.218 . 431 64 39 ALA CB C 17.785 0.111 . 432 64 39 ALA N N 122.425 0.024 . 433 65 40 LEU H H 7.669 0.006 . 434 65 40 LEU HA H 4.222 0.007 . 435 65 40 LEU HB2 H 1.613 0.012 . 436 65 40 LEU HB3 H 1.613 0.012 . 437 65 40 LEU HG H 1.559 0.009 . 438 65 40 LEU HD1 H 0.757 0.008 . 439 65 40 LEU HD2 H 0.757 0.008 . 440 65 40 LEU C C 176.661 0.005 . 441 65 40 LEU CA C 54.642 0.067 . 442 65 40 LEU CB C 41.957 0.121 . 443 65 40 LEU CG C 26.062 0.159 . 444 65 40 LEU CD1 C 22.525 0.050 . 445 65 40 LEU CD2 C 22.525 0.050 . 446 65 40 LEU N N 116.489 0.039 . 447 66 41 LYS H H 7.806 0.007 . 448 66 41 LYS HA H 4.058 0.010 . 449 66 41 LYS HB2 H 1.911 0.035 . 450 66 41 LYS HB3 H 1.911 0.035 . 451 66 41 LYS HG2 H 1.380 0.014 . 452 66 41 LYS HG3 H 1.380 0.014 . 453 66 41 LYS HE2 H 2.966 0.018 . 454 66 41 LYS HE3 H 2.966 0.018 . 455 66 41 LYS C C 176.651 0.012 . 456 66 41 LYS CA C 57.100 0.152 . 457 66 41 LYS CB C 30.249 0.089 . 458 66 41 LYS CG C 24.732 0.067 . 459 66 41 LYS CD C 28.974 0.071 . 460 66 41 LYS CE C 42.404 0.000 . 461 66 41 LYS N N 118.229 0.031 . 462 67 42 LYS H H 8.249 0.005 . 463 67 42 LYS HA H 4.278 0.010 . 464 67 42 LYS HB2 H 1.617 0.026 . 465 67 42 LYS HB3 H 1.617 0.026 . 466 67 42 LYS HG2 H 1.339 0.008 . 467 67 42 LYS HG3 H 1.339 0.008 . 468 67 42 LYS HD2 H 1.538 0.003 . 469 67 42 LYS HD3 H 1.538 0.003 . 470 67 42 LYS HE2 H 2.903 0.008 . 471 67 42 LYS HE3 H 2.903 0.008 . 472 67 42 LYS C C 176.163 0.015 . 473 67 42 LYS CA C 55.658 0.150 . 474 67 42 LYS CB C 33.462 0.086 . 475 67 42 LYS CG C 24.834 0.041 . 476 67 42 LYS CD C 28.699 0.090 . 477 67 42 LYS CE C 41.851 0.122 . 478 67 42 LYS N N 119.380 0.034 . 479 68 43 ASP H H 8.350 0.005 . 480 68 43 ASP HA H 4.601 0.017 . 481 68 43 ASP HB2 H 2.659 0.006 . 482 68 43 ASP HB3 H 2.743 0.008 . 483 68 43 ASP C C 177.001 0.018 . 484 68 43 ASP CA C 54.192 0.153 . 485 68 43 ASP CB C 41.383 0.125 . 486 68 43 ASP N N 120.812 0.040 . 487 69 44 SER H H 8.608 0.007 . 488 69 44 SER HA H 4.199 0.003 . 489 69 44 SER HB2 H 3.864 0.013 . 490 69 44 SER HB3 H 3.864 0.013 . 491 69 44 SER C C 175.643 0.019 . 492 69 44 SER CA C 59.636 0.192 . 493 69 44 SER CB C 63.237 0.163 . 494 69 44 SER N N 119.061 0.107 . 495 70 45 SER H H 8.514 0.006 . 496 70 45 SER HA H 4.335 0.004 . 497 70 45 SER HB2 H 3.878 0.014 . 498 70 45 SER HB3 H 3.939 0.026 . 499 70 45 SER C C 175.275 0.008 . 500 70 45 SER CA C 59.700 0.102 . 501 70 45 SER CB C 63.243 0.157 . 502 70 45 SER N N 118.325 0.026 . 503 71 46 ARG H H 7.965 0.006 . 504 71 46 ARG HA H 4.231 0.012 . 505 71 46 ARG HB2 H 1.755 0.026 . 506 71 46 ARG HB3 H 1.755 0.026 . 507 71 46 ARG HG2 H 1.480 0.002 . 508 71 46 ARG HG3 H 1.480 0.002 . 509 71 46 ARG HD2 H 3.120 0.008 . 510 71 46 ARG HD3 H 3.120 0.008 . 511 71 46 ARG C C 176.223 0.016 . 512 71 46 ARG CA C 56.368 0.109 . 513 71 46 ARG CB C 30.148 0.116 . 514 71 46 ARG CG C 27.047 0.074 . 515 71 46 ARG CD C 43.095 0.078 . 516 71 46 ARG N N 121.317 0.062 . 517 72 47 HIS H H 8.036 0.008 . 518 72 47 HIS HA H 4.663 0.005 . 519 72 47 HIS HB2 H 2.933 0.019 . 520 72 47 HIS HB3 H 3.222 0.014 . 521 72 47 HIS C C 175.122 0.016 . 522 72 47 HIS CA C 55.935 0.120 . 523 72 47 HIS CB C 29.974 0.102 . 524 72 47 HIS N N 118.894 0.045 . 525 73 48 SER H H 8.029 0.006 . 526 73 48 SER HA H 4.313 0.003 . 527 73 48 SER HB2 H 3.835 0.008 . 528 73 48 SER HB3 H 3.835 0.008 . 529 73 48 SER C C 174.559 0.027 . 530 73 48 SER CA C 59.297 0.077 . 531 73 48 SER CB C 63.522 0.027 . 532 73 48 SER N N 116.302 0.051 . 533 74 49 LYS H H 8.394 0.005 . 534 74 49 LYS HA H 4.336 0.008 . 535 74 49 LYS HB2 H 1.764 0.000 . 536 74 49 LYS HB3 H 1.764 0.000 . 537 74 49 LYS HG2 H 1.362 0.014 . 538 74 49 LYS HG3 H 1.362 0.014 . 539 74 49 LYS HD2 H 1.643 0.007 . 540 74 49 LYS HD3 H 1.643 0.007 . 541 74 49 LYS HE2 H 2.938 0.013 . 542 74 49 LYS HE3 H 2.938 0.013 . 543 74 49 LYS C C 175.929 0.042 . 544 74 49 LYS CA C 55.918 0.164 . 545 74 49 LYS CB C 32.143 0.139 . 546 74 49 LYS CG C 24.602 0.000 . 547 74 49 LYS CD C 28.974 0.075 . 548 74 49 LYS CE C 42.197 0.000 . 549 74 49 LYS N N 122.545 0.068 . 550 75 50 LEU H H 7.943 0.008 . 551 75 50 LEU HA H 4.402 0.022 . 552 75 50 LEU HB2 H 1.373 0.009 . 553 75 50 LEU HB3 H 1.608 0.008 . 554 75 50 LEU HG H 1.644 0.010 . 555 75 50 LEU HD1 H 0.843 0.007 . 556 75 50 LEU HD2 H 0.809 0.007 . 557 75 50 LEU C C 176.575 0.008 . 558 75 50 LEU CA C 54.697 0.130 . 559 75 50 LEU CB C 43.481 0.097 . 560 75 50 LEU CG C 26.652 0.166 . 561 75 50 LEU CD1 C 26.206 0.101 . 562 75 50 LEU CD2 C 23.968 0.106 . 563 75 50 LEU N N 123.393 0.022 . 564 76 51 GLU H H 9.136 0.005 . 565 76 51 GLU HA H 4.551 0.004 . 566 76 51 GLU HB2 H 2.008 0.011 . 567 76 51 GLU HB3 H 2.356 0.003 . 568 76 51 GLU HG2 H 2.344 0.011 . 569 76 51 GLU HG3 H 2.379 0.007 . 570 76 51 GLU C C 177.445 0.005 . 571 76 51 GLU CA C 54.962 0.075 . 572 76 51 GLU CB C 31.245 0.098 . 573 76 51 GLU CG C 36.501 0.029 . 574 76 51 GLU N N 123.357 0.038 . 575 77 52 LYS H H 8.858 0.006 . 576 77 52 LYS HA H 3.830 0.009 . 577 77 52 LYS HB2 H 1.863 0.005 . 578 77 52 LYS HB3 H 1.863 0.005 . 579 77 52 LYS HG2 H 1.340 0.009 . 580 77 52 LYS HG3 H 1.527 0.002 . 581 77 52 LYS HD2 H 1.707 0.017 . 582 77 52 LYS HD3 H 1.707 0.017 . 583 77 52 LYS HE2 H 2.934 0.014 . 584 77 52 LYS HE3 H 2.934 0.014 . 585 77 52 LYS C C 177.908 0.025 . 586 77 52 LYS CA C 61.105 0.145 . 587 77 52 LYS CB C 32.423 0.199 . 588 77 52 LYS CG C 24.964 0.132 . 589 77 52 LYS CD C 29.430 0.102 . 590 77 52 LYS CE C 41.891 0.194 . 591 77 52 LYS N N 122.655 0.037 . 592 78 53 ALA H H 9.131 0.004 . 593 78 53 ALA HA H 3.892 0.006 . 594 78 53 ALA HB H 1.278 0.014 . 595 78 53 ALA C C 179.758 0.012 . 596 78 53 ALA CA C 55.456 0.111 . 597 78 53 ALA CB C 17.839 0.097 . 598 78 53 ALA N N 118.008 0.054 . 599 79 54 ASP H H 7.052 0.010 . 600 79 54 ASP HA H 4.346 0.012 . 601 79 54 ASP HB2 H 2.699 0.009 . 602 79 54 ASP HB3 H 2.902 0.006 . 603 79 54 ASP C C 178.104 0.000 . 604 79 54 ASP CA C 57.088 0.182 . 605 79 54 ASP CB C 41.728 0.141 . 606 79 54 ASP N N 114.744 0.044 . 607 80 55 ILE H H 7.983 0.007 . 608 80 55 ILE HA H 3.592 0.007 . 609 80 55 ILE HB H 1.989 0.008 . 610 80 55 ILE HG12 H 0.984 0.010 . 611 80 55 ILE HG13 H 0.984 0.010 . 612 80 55 ILE HG2 H 0.758 0.007 . 613 80 55 ILE HD1 H 0.750 0.004 . 614 80 55 ILE C C 179.567 0.000 . 615 80 55 ILE CA C 64.201 0.098 . 616 80 55 ILE CB C 37.514 0.125 . 617 80 55 ILE CG1 C 28.992 0.091 . 618 80 55 ILE CG2 C 17.262 0.034 . 619 80 55 ILE CD1 C 12.868 0.075 . 620 80 55 ILE N N 119.398 0.062 . 621 81 56 LEU H H 8.171 0.010 . 622 81 56 LEU HA H 3.931 0.019 . 623 81 56 LEU HD1 H 0.861 0.020 . 624 81 56 LEU HD2 H 0.681 0.008 . 625 81 56 LEU C C 178.312 0.000 . 626 81 56 LEU CA C 58.588 0.039 . 627 81 56 LEU CB C 41.727 0.113 . 628 81 56 LEU CD1 C 26.548 0.142 . 629 81 56 LEU CD2 C 22.806 0.048 . 630 81 56 LEU N N 120.930 0.037 . 631 82 57 GLU H H 7.984 0.010 . 632 82 57 GLU HA H 3.917 0.008 . 633 82 57 GLU HB2 H 1.994 0.009 . 634 82 57 GLU HB3 H 2.265 0.015 . 635 82 57 GLU HG2 H 2.297 0.008 . 636 82 57 GLU HG3 H 2.543 0.009 . 637 82 57 GLU C C 180.151 0.002 . 638 82 57 GLU CA C 59.864 0.101 . 639 82 57 GLU CB C 29.364 0.150 . 640 82 57 GLU CG C 37.035 0.110 . 641 82 57 GLU N N 119.314 0.076 . 642 83 58 MET H H 8.639 0.005 . 643 83 58 MET HA H 4.033 0.007 . 644 83 58 MET HG2 H 2.545 0.009 . 645 83 58 MET HG3 H 2.713 0.005 . 646 83 58 MET C C 178.488 0.017 . 647 83 58 MET CA C 59.083 0.045 . 648 83 58 MET CB C 33.883 0.146 . 649 83 58 MET CG C 32.422 0.080 . 650 83 58 MET N N 118.669 0.031 . 651 84 59 THR H H 7.946 0.007 . 652 84 59 THR HA H 3.853 0.014 . 653 84 59 THR HB H 4.448 0.015 . 654 84 59 THR HG2 H 1.169 0.006 . 655 84 59 THR C C 175.659 0.000 . 656 84 59 THR CA C 68.029 0.095 . 657 84 59 THR CB C 67.595 0.122 . 658 84 59 THR CG2 C 22.295 0.136 . 659 84 59 THR N N 118.733 0.051 . 660 85 60 VAL H H 8.089 0.011 . 661 85 60 VAL HA H 3.311 0.005 . 662 85 60 VAL HB H 2.165 0.007 . 663 85 60 VAL HG1 H 1.095 0.006 . 664 85 60 VAL HG2 H 0.865 0.007 . 665 85 60 VAL C C 177.078 0.000 . 666 85 60 VAL CA C 67.381 0.631 . 667 85 60 VAL CB C 32.168 0.149 . 668 85 60 VAL CG1 C 24.532 0.050 . 669 85 60 VAL CG2 C 20.997 0.071 . 670 85 60 VAL N N 122.083 0.072 . 671 86 61 LYS H H 7.785 0.010 . 672 86 61 LYS HA H 3.835 0.009 . 673 86 61 LYS HB2 H 1.891 0.007 . 674 86 61 LYS HB3 H 1.891 0.007 . 675 86 61 LYS HG2 H 1.408 0.004 . 676 86 61 LYS HG3 H 1.568 0.006 . 677 86 61 LYS HD2 H 1.676 0.006 . 678 86 61 LYS HD3 H 1.676 0.006 . 679 86 61 LYS HE2 H 2.945 0.005 . 680 86 61 LYS HE3 H 2.945 0.005 . 681 86 61 LYS C C 178.617 0.003 . 682 86 61 LYS CA C 60.014 0.133 . 683 86 61 LYS CB C 32.336 0.129 . 684 86 61 LYS CG C 25.447 0.107 . 685 86 61 LYS CD C 29.410 0.098 . 686 86 61 LYS N N 117.409 0.052 . 687 87 62 HIS H H 8.055 0.008 . 688 87 62 HIS HA H 4.513 0.012 . 689 87 62 HIS HB2 H 3.102 0.011 . 690 87 62 HIS HB3 H 3.177 0.013 . 691 87 62 HIS C C 177.356 0.020 . 692 87 62 HIS CA C 59.368 0.111 . 693 87 62 HIS CB C 32.047 0.065 . 694 87 62 HIS N N 118.731 0.039 . 695 88 63 LEU H H 8.450 0.005 . 696 88 63 LEU HD1 H 0.858 0.008 . 697 88 63 LEU HD2 H 0.858 0.008 . 698 88 63 LEU C C 180.158 0.000 . 699 88 63 LEU CA C 57.927 0.075 . 700 88 63 LEU CB C 41.748 0.000 . 701 88 63 LEU N N 117.189 0.041 . 702 89 64 ARG H H 8.616 0.006 . 703 89 64 ARG HA H 3.901 0.011 . 704 89 64 ARG HB2 H 1.861 0.004 . 705 89 64 ARG HB3 H 1.861 0.004 . 706 89 64 ARG HD2 H 3.122 0.010 . 707 89 64 ARG HD3 H 3.122 0.010 . 708 89 64 ARG C C 178.875 0.009 . 709 89 64 ARG CA C 59.667 0.171 . 710 89 64 ARG CB C 29.542 0.170 . 711 89 64 ARG CG C 28.348 0.000 . 712 89 64 ARG CD C 43.420 0.058 . 713 89 64 ARG N N 119.542 0.050 . 714 90 65 ASN H H 7.935 0.006 . 715 90 65 ASN HA H 4.478 0.008 . 716 90 65 ASN HB2 H 2.850 0.004 . 717 90 65 ASN HB3 H 3.036 0.006 . 718 90 65 ASN HD21 H 7.931 0.001 . 719 90 65 ASN HD22 H 6.870 0.002 . 720 90 65 ASN C C 177.824 0.023 . 721 90 65 ASN CA C 55.393 0.111 . 722 90 65 ASN CB C 37.874 0.110 . 723 90 65 ASN N N 118.676 0.034 . 724 90 65 ASN ND2 N 112.593 0.024 . 725 91 66 LEU H H 7.890 0.008 . 726 91 66 LEU HA H 4.045 0.007 . 727 91 66 LEU HB2 H 1.556 0.014 . 728 91 66 LEU HB3 H 1.696 0.009 . 729 91 66 LEU HG H 1.393 0.006 . 730 91 66 LEU HD1 H 0.585 0.001 . 731 91 66 LEU HD2 H 0.682 0.004 . 732 91 66 LEU C C 178.707 0.008 . 733 91 66 LEU CA C 56.705 0.135 . 734 91 66 LEU CB C 41.918 0.113 . 735 91 66 LEU CG C 26.145 0.023 . 736 91 66 LEU CD1 C 25.472 0.064 . 737 91 66 LEU CD2 C 22.386 0.075 . 738 91 66 LEU N N 119.885 0.036 . 739 92 67 GLN H H 7.683 0.009 . 740 92 67 GLN HA H 4.149 0.008 . 741 92 67 GLN HB2 H 2.081 0.003 . 742 92 67 GLN HB3 H 2.152 0.002 . 743 92 67 GLN HG2 H 2.315 0.005 . 744 92 67 GLN HG3 H 2.493 0.006 . 745 92 67 GLN HE21 H 6.872 0.003 . 746 92 67 GLN HE22 H 7.532 0.002 . 747 92 67 GLN C C 176.562 0.008 . 748 92 67 GLN CA C 57.055 0.104 . 749 92 67 GLN CB C 28.937 0.112 . 750 92 67 GLN CG C 34.182 0.013 . 751 92 67 GLN N N 118.288 0.029 . 752 92 67 GLN NE2 N 111.598 0.027 . 753 93 68 ARG H H 7.786 0.005 . 754 93 68 ARG HA H 4.238 0.009 . 755 93 68 ARG HB2 H 1.863 0.005 . 756 93 68 ARG HB3 H 1.863 0.005 . 757 93 68 ARG HG2 H 1.790 0.046 . 758 93 68 ARG HG3 H 1.790 0.046 . 759 93 68 ARG HD2 H 3.194 0.005 . 760 93 68 ARG HD3 H 3.194 0.005 . 761 93 68 ARG C C 175.928 0.014 . 762 93 68 ARG CA C 56.467 0.092 . 763 93 68 ARG CB C 30.459 0.116 . 764 93 68 ARG CG C 27.092 0.000 . 765 93 68 ARG CD C 43.397 0.028 . 766 93 68 ARG N N 119.664 0.019 . 767 94 69 ALA H H 8.017 0.005 . 768 94 69 ALA HA H 4.308 0.012 . 769 94 69 ALA HB H 1.386 0.006 . 770 94 69 ALA C C 176.753 0.010 . 771 94 69 ALA CA C 52.465 0.118 . 772 94 69 ALA CB C 19.023 0.072 . 773 94 69 ALA N N 124.562 0.026 . 774 95 70 GLN H H 7.860 0.005 . 775 95 70 GLN HA H 4.102 0.008 . 776 95 70 GLN HB2 H 1.912 0.006 . 777 95 70 GLN HB3 H 1.912 0.006 . 778 95 70 GLN HG2 H 2.097 0.004 . 779 95 70 GLN HG3 H 2.309 0.005 . 780 95 70 GLN HE21 H 6.858 0.006 . 781 95 70 GLN HE22 H 7.561 0.003 . 782 95 70 GLN C C 180.615 0.000 . 783 95 70 GLN CA C 57.324 0.054 . 784 95 70 GLN CB C 30.359 0.035 . 785 95 70 GLN CG C 34.330 0.000 . 786 95 70 GLN N N 124.520 0.018 . 787 95 70 GLN NE2 N 112.689 0.070 . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'triple resonance assignment' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HES-1_2 _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 1 126 1 MET HA H 4.044 0.006 . 2 126 1 MET HB2 H 2.097 0.004 . 3 126 1 MET HB3 H 2.097 0.004 . 4 126 1 MET HG2 H 2.561 0.007 . 5 126 1 MET HG3 H 2.561 0.007 . 6 126 1 MET CA C 54.863 0.121 . 7 126 1 MET CB C 33.161 0.075 . 8 126 1 MET CG C 30.760 0.047 . 9 127 2 LYS HA H 4.626 0.006 . 10 127 2 LYS HB2 H 1.798 0.006 . 11 127 2 LYS HB3 H 1.726 0.003 . 12 127 2 LYS HG2 H 1.471 0.006 . 13 127 2 LYS HG3 H 1.471 0.006 . 14 127 2 LYS HD2 H 1.675 0.006 . 15 127 2 LYS HD3 H 1.675 0.006 . 16 127 2 LYS HE2 H 2.967 0.004 . 17 127 2 LYS HE3 H 2.967 0.004 . 18 127 2 LYS CA C 54.410 0.043 . 19 127 2 LYS CB C 32.346 0.068 . 20 127 2 LYS CG C 24.615 0.059 . 21 127 2 LYS CD C 29.107 0.000 . 22 127 2 LYS CE C 41.755 0.020 . 23 128 3 PRO HA H 4.402 0.006 . 24 128 3 PRO HB2 H 2.283 0.009 . 25 128 3 PRO HB3 H 1.859 0.005 . 26 128 3 PRO HG2 H 2.000 0.004 . 27 128 3 PRO HG3 H 2.000 0.004 . 28 128 3 PRO HD2 H 3.852 0.006 . 29 128 3 PRO HD3 H 3.628 0.005 . 30 128 3 PRO C C 176.815 0.009 . 31 128 3 PRO CA C 62.876 0.057 . 32 128 3 PRO CB C 32.162 0.077 . 33 128 3 PRO CG C 27.426 0.069 . 34 128 3 PRO CD C 50.721 0.034 . 35 129 4 LYS H H 8.586 0.005 . 36 129 4 LYS HA H 4.297 0.006 . 37 129 4 LYS HB2 H 1.797 0.009 . 38 129 4 LYS HB3 H 1.741 0.006 . 39 129 4 LYS HG2 H 1.475 0.005 . 40 129 4 LYS HG3 H 1.415 0.005 . 41 129 4 LYS HD2 H 1.665 0.005 . 42 129 4 LYS HD3 H 1.665 0.005 . 43 129 4 LYS HE2 H 2.962 0.004 . 44 129 4 LYS HE3 H 2.962 0.004 . 45 129 4 LYS C C 176.961 0.033 . 46 129 4 LYS CA C 56.463 0.048 . 47 129 4 LYS CB C 32.816 0.112 . 48 129 4 LYS CG C 24.816 0.069 . 49 129 4 LYS CD C 29.035 0.047 . 50 129 4 LYS CE C 41.807 0.096 . 51 129 4 LYS N N 122.449 0.016 . 52 130 5 THR H H 8.219 0.007 . 53 130 5 THR HA H 4.293 0.004 . 54 130 5 THR HB H 4.202 0.011 . 55 130 5 THR HG2 H 1.190 0.004 . 56 130 5 THR C C 174.354 0.003 . 57 130 5 THR CA C 61.555 0.093 . 58 130 5 THR CB C 69.949 0.102 . 59 130 5 THR CG2 C 21.663 0.088 . 60 130 5 THR N N 115.695 0.016 . 61 131 6 ALA H H 8.505 0.003 . 62 131 6 ALA HA H 4.312 0.005 . 63 131 6 ALA HB H 1.388 0.005 . 64 131 6 ALA C C 178.014 0.016 . 65 131 6 ALA CA C 52.781 0.151 . 66 131 6 ALA CB C 19.125 0.137 . 67 131 6 ALA N N 125.923 3.266 . 68 132 7 SER H H 8.365 0.003 . 69 132 7 SER HA H 4.338 0.004 . 70 132 7 SER HB2 H 3.829 0.008 . 71 132 7 SER HB3 H 3.796 0.002 . 72 132 7 SER C C 174.783 0.005 . 73 132 7 SER CA C 58.633 0.079 . 74 132 7 SER CB C 63.475 0.087 . 75 132 7 SER N N 115.249 0.019 . 76 133 8 GLU H H 8.390 0.006 . 77 133 8 GLU HA H 4.205 0.004 . 78 133 8 GLU HB2 H 1.950 0.004 . 79 133 8 GLU HB3 H 1.891 0.009 . 80 133 8 GLU HG2 H 2.192 0.004 . 81 133 8 GLU HG3 H 2.136 0.006 . 82 133 8 GLU C C 176.411 0.014 . 83 133 8 GLU CA C 56.678 0.044 . 84 133 8 GLU CB C 30.241 0.093 . 85 133 8 GLU CG C 36.172 0.043 . 86 133 8 GLU N N 122.748 0.034 . 87 134 9 HIS H H 8.431 0.005 . 88 134 9 HIS HA H 4.605 0.011 . 89 134 9 HIS HB2 H 3.160 0.004 . 90 134 9 HIS HB3 H 3.072 0.006 . 91 134 9 HIS C C 175.167 0.003 . 92 134 9 HIS CA C 56.035 0.082 . 93 134 9 HIS CB C 29.938 0.072 . 94 134 9 HIS N N 120.453 0.020 . 95 135 10 ARG H H 8.419 0.005 . 96 135 10 ARG HA H 4.261 0.005 . 97 135 10 ARG HB2 H 1.817 0.005 . 98 135 10 ARG HB3 H 1.747 0.006 . 99 135 10 ARG HG2 H 1.680 0.007 . 100 135 10 ARG HG3 H 1.583 0.006 . 101 135 10 ARG HD2 H 3.166 0.007 . 102 135 10 ARG HD3 H 3.166 0.007 . 103 135 10 ARG C C 176.411 0.013 . 104 135 10 ARG CA C 56.306 0.069 . 105 135 10 ARG CB C 30.587 0.082 . 106 135 10 ARG CG C 27.105 0.117 . 107 135 10 ARG CD C 43.170 0.066 . 108 135 10 ARG N N 122.797 0.024 . 109 136 11 LYS H H 8.482 0.003 . 110 136 11 LYS HA H 4.288 0.008 . 111 136 11 LYS HB2 H 1.788 0.014 . 112 136 11 LYS HB3 H 1.788 0.014 . 113 136 11 LYS HG2 H 1.456 0.015 . 114 136 11 LYS HG3 H 1.456 0.015 . 115 136 11 LYS HD2 H 1.672 0.006 . 116 136 11 LYS HD3 H 1.672 0.006 . 117 136 11 LYS HE2 H 2.967 0.005 . 118 136 11 LYS HE3 H 2.967 0.005 . 119 136 11 LYS C C 176.738 0.012 . 120 136 11 LYS CA C 56.514 0.060 . 121 136 11 LYS CB C 32.857 0.076 . 122 136 11 LYS CG C 24.785 0.060 . 123 136 11 LYS CD C 29.036 0.028 . 124 136 11 LYS CE C 41.982 0.153 . 125 136 11 LYS N N 122.974 0.029 . 126 137 12 SER H H 8.410 0.007 . 127 137 12 SER HA H 4.469 0.005 . 128 137 12 SER HB2 H 3.878 0.002 . 129 137 12 SER HB3 H 3.820 0.005 . 130 137 12 SER C C 174.495 0.002 . 131 137 12 SER CA C 58.115 0.078 . 132 137 12 SER CB C 63.627 0.212 . 133 137 12 SER N N 117.137 0.021 . 134 138 13 SER H H 8.456 0.006 . 135 138 13 SER HA H 4.467 0.007 . 136 138 13 SER HB2 H 3.875 0.007 . 137 138 13 SER HB3 H 3.875 0.007 . 138 138 13 SER C C 174.332 0.015 . 139 138 13 SER CA C 58.187 0.068 . 140 138 13 SER CB C 63.703 0.111 . 141 138 13 SER N N 118.622 0.019 . 142 139 14 LYS H H 8.489 0.003 . 143 139 14 LYS HA H 4.478 0.005 . 144 139 14 LYS HB2 H 1.841 0.006 . 145 139 14 LYS HB3 H 1.775 0.010 . 146 139 14 LYS HG2 H 1.511 0.001 . 147 139 14 LYS HG3 H 1.415 0.006 . 148 139 14 LYS HD2 H 1.680 0.005 . 149 139 14 LYS HD3 H 1.680 0.005 . 150 139 14 LYS HE2 H 2.968 0.001 . 151 139 14 LYS HE3 H 2.968 0.001 . 152 139 14 LYS C C 174.904 0.000 . 153 139 14 LYS CA C 56.707 0.048 . 154 139 14 LYS CB C 31.595 0.036 . 155 139 14 LYS CG C 24.923 0.050 . 156 139 14 LYS CD C 29.083 0.000 . 157 139 14 LYS CE C 41.815 0.003 . 158 139 14 LYS N N 124.176 0.025 . 159 140 15 PRO HA H 4.401 0.008 . 160 140 15 PRO HB2 H 2.302 0.009 . 161 140 15 PRO HB3 H 1.849 0.017 . 162 140 15 PRO HG2 H 2.048 0.006 . 163 140 15 PRO HG3 H 1.999 0.006 . 164 140 15 PRO HD2 H 3.795 0.005 . 165 140 15 PRO HD3 H 3.693 0.009 . 166 140 15 PRO C C 178.173 0.037 . 167 140 15 PRO CA C 64.315 0.080 . 168 140 15 PRO CB C 31.675 0.135 . 169 140 15 PRO CG C 27.748 0.069 . 170 140 15 PRO CD C 50.419 0.038 . 171 141 16 ILE H H 8.011 0.007 . 172 141 16 ILE HA H 3.967 0.005 . 173 141 16 ILE HB H 1.921 0.012 . 174 141 16 ILE HG12 H 1.526 0.015 . 175 141 16 ILE HG13 H 1.235 0.005 . 176 141 16 ILE HG2 H 0.914 0.007 . 177 141 16 ILE HD1 H 0.867 0.005 . 178 141 16 ILE C C 177.393 0.003 . 179 141 16 ILE CA C 62.575 0.036 . 180 141 16 ILE CB C 37.900 0.068 . 181 141 16 ILE CG1 C 28.159 0.052 . 182 141 16 ILE CG2 C 17.387 0.028 . 183 141 16 ILE CD1 C 12.679 0.053 . 184 141 16 ILE N N 120.414 0.029 . 185 142 17 MET H H 8.335 0.006 . 186 142 17 MET HA H 4.330 0.004 . 187 142 17 MET HB2 H 2.134 0.002 . 188 142 17 MET HB3 H 2.084 0.007 . 189 142 17 MET HG2 H 2.660 0.006 . 190 142 17 MET HG3 H 2.549 0.007 . 191 142 17 MET HE H 1.863 0.007 . 192 142 17 MET C C 178.050 0.002 . 193 142 17 MET CA C 56.959 0.074 . 194 142 17 MET CB C 32.024 0.100 . 195 142 17 MET CG C 32.129 0.046 . 196 142 17 MET N N 122.411 0.029 . 197 143 18 GLU H H 8.397 0.006 . 198 143 18 GLU HA H 4.193 0.012 . 199 143 18 GLU HB2 H 2.030 0.010 . 200 143 18 GLU HB3 H 2.030 0.010 . 201 143 18 GLU HG2 H 2.298 0.007 . 202 143 18 GLU HG3 H 2.298 0.007 . 203 143 18 GLU C C 177.835 0.026 . 204 143 18 GLU CA C 58.157 0.058 . 205 143 18 GLU CB C 29.543 0.099 . 206 143 18 GLU CG C 35.943 0.009 . 207 143 18 GLU N N 121.832 0.044 . 208 144 19 LYS H H 8.124 0.009 . 209 144 19 LYS HA H 4.083 0.028 . 210 144 19 LYS HB2 H 1.880 0.015 . 211 144 19 LYS HB3 H 1.880 0.015 . 212 144 19 LYS HG2 H 1.528 0.011 . 213 144 19 LYS HG3 H 1.416 0.007 . 214 144 19 LYS HD2 H 1.664 0.005 . 215 144 19 LYS HD3 H 1.664 0.005 . 216 144 19 LYS HE2 H 2.950 0.006 . 217 144 19 LYS HE3 H 2.950 0.006 . 218 144 19 LYS C C 178.745 0.003 . 219 144 19 LYS CA C 58.846 0.062 . 220 144 19 LYS CB C 32.493 0.124 . 221 144 19 LYS CG C 25.202 0.102 . 222 144 19 LYS CD C 29.297 0.078 . 223 144 19 LYS CE C 41.982 0.141 . 224 144 19 LYS N N 121.347 0.051 . 225 145 20 ARG H H 8.219 0.009 . 226 145 20 ARG HA H 4.247 0.008 . 227 145 20 ARG HB2 H 1.897 0.010 . 228 145 20 ARG HB3 H 1.897 0.010 . 229 145 20 ARG HG2 H 1.740 0.009 . 230 145 20 ARG HG3 H 1.657 0.006 . 231 145 20 ARG HD2 H 3.182 0.010 . 232 145 20 ARG HD3 H 3.182 0.010 . 233 145 20 ARG C C 178.025 0.004 . 234 145 20 ARG CA C 58.201 0.091 . 235 145 20 ARG CB C 29.888 0.081 . 236 145 20 ARG CG C 27.334 0.114 . 237 145 20 ARG CD C 43.235 0.092 . 238 145 20 ARG N N 120.603 0.040 . 239 146 21 ARG H H 8.245 0.013 . 240 146 21 ARG HA H 3.908 0.023 . 241 146 21 ARG HB2 H 1.913 0.006 . 242 146 21 ARG HB3 H 1.835 0.009 . 243 146 21 ARG HG2 H 1.693 0.011 . 244 146 21 ARG HG3 H 1.590 0.007 . 245 146 21 ARG HD2 H 3.192 0.006 . 246 146 21 ARG HD3 H 3.192 0.006 . 247 146 21 ARG C C 177.855 0.013 . 248 146 21 ARG CA C 59.726 0.082 . 249 146 21 ARG CB C 30.215 0.119 . 250 146 21 ARG CG C 28.016 0.060 . 251 146 21 ARG CD C 43.333 0.065 . 252 146 21 ARG N N 121.714 0.075 . 253 147 22 ARG H H 8.233 0.013 . 254 147 22 ARG HA H 3.961 0.005 . 255 147 22 ARG HB2 H 1.884 0.018 . 256 147 22 ARG HB3 H 1.884 0.018 . 257 147 22 ARG HG2 H 1.694 0.005 . 258 147 22 ARG HG3 H 1.694 0.005 . 259 147 22 ARG HD2 H 3.179 0.015 . 260 147 22 ARG HD3 H 3.179 0.015 . 261 147 22 ARG C C 177.899 0.017 . 262 147 22 ARG CA C 58.541 0.163 . 263 147 22 ARG CB C 29.704 0.200 . 264 147 22 ARG CG C 27.030 0.157 . 265 147 22 ARG CD C 42.966 0.104 . 266 147 22 ARG N N 118.469 0.083 . 267 148 23 ALA H H 7.962 0.006 . 268 148 23 ALA HA H 4.205 0.005 . 269 148 23 ALA HB H 1.505 0.009 . 270 148 23 ALA C C 180.284 0.013 . 271 148 23 ALA CA C 54.815 0.042 . 272 148 23 ALA CB C 18.025 0.086 . 273 148 23 ALA N N 121.720 0.115 . 274 149 24 ARG H H 8.103 0.007 . 275 149 24 ARG C C 179.589 0.000 . 276 149 24 ARG CA C 59.291 0.062 . 277 149 24 ARG CB C 30.993 0.000 . 278 149 24 ARG N N 119.603 0.075 . 279 150 25 ILE H H 8.145 0.007 . 280 150 25 ILE HA H 3.662 0.005 . 281 150 25 ILE HB H 1.856 0.011 . 282 150 25 ILE HG2 H 0.810 0.005 . 283 150 25 ILE HD1 H 0.824 0.004 . 284 150 25 ILE C C 177.372 0.000 . 285 150 25 ILE CA C 65.302 0.049 . 286 150 25 ILE CB C 38.216 0.200 . 287 150 25 ILE CG1 C 29.848 0.055 . 288 150 25 ILE CG2 C 16.521 0.062 . 289 150 25 ILE CD1 C 13.679 0.142 . 290 150 25 ILE N N 121.545 0.071 . 291 151 26 ASN H H 8.431 0.006 . 292 151 26 ASN HA H 4.407 0.023 . 293 151 26 ASN HB2 H 2.855 0.002 . 294 151 26 ASN HB3 H 2.825 0.005 . 295 151 26 ASN HD21 H 7.640 0.001 . 296 151 26 ASN HD22 H 6.991 0.002 . 297 151 26 ASN C C 178.725 0.009 . 298 151 26 ASN CA C 56.205 0.132 . 299 151 26 ASN CB C 37.594 0.138 . 300 151 26 ASN N N 117.894 0.040 . 301 151 26 ASN ND2 N 112.006 0.041 . 302 152 27 GLU H H 8.299 0.006 . 303 152 27 GLU HA H 4.205 0.006 . 304 152 27 GLU HB2 H 2.170 0.007 . 305 152 27 GLU HB3 H 2.078 0.006 . 306 152 27 GLU HG2 H 2.319 0.006 . 307 152 27 GLU HG3 H 2.319 0.006 . 308 152 27 GLU C C 179.243 0.019 . 309 152 27 GLU CA C 59.291 0.092 . 310 152 27 GLU CB C 29.101 0.124 . 311 152 27 GLU CG C 35.906 0.053 . 312 152 27 GLU N N 121.612 0.053 . 313 153 28 SER H H 8.254 0.007 . 314 153 28 SER C C 176.283 0.000 . 315 153 28 SER CA C 63.032 0.175 . 316 153 28 SER N N 116.604 0.031 . 317 154 29 LEU H H 8.693 0.004 . 318 154 29 LEU HA H 3.962 0.009 . 319 154 29 LEU HB2 H 1.945 0.013 . 320 154 29 LEU HB3 H 1.520 0.010 . 321 154 29 LEU HG H 1.831 0.009 . 322 154 29 LEU HD1 H 0.752 0.009 . 323 154 29 LEU HD2 H 0.825 0.013 . 324 154 29 LEU C C 178.897 0.000 . 325 154 29 LEU CA C 58.116 0.125 . 326 154 29 LEU CB C 41.576 0.163 . 327 154 29 LEU CG C 27.116 0.122 . 328 154 29 LEU CD1 C 25.932 0.123 . 329 154 29 LEU CD2 C 23.511 0.084 . 330 154 29 LEU N N 121.925 0.023 . 331 155 30 SER H H 7.823 0.007 . 332 155 30 SER HA H 4.181 0.011 . 333 155 30 SER HB2 H 4.052 0.015 . 334 155 30 SER HB3 H 4.052 0.015 . 335 155 30 SER C C 177.381 0.000 . 336 155 30 SER CA C 61.568 0.095 . 337 155 30 SER CB C 62.527 0.096 . 338 155 30 SER N N 114.515 0.035 . 339 156 31 GLN H H 7.886 0.007 . 340 156 31 GLN HA H 4.087 0.008 . 341 156 31 GLN HB2 H 2.318 0.003 . 342 156 31 GLN HB3 H 2.318 0.003 . 343 156 31 GLN HG2 H 2.638 0.007 . 344 156 31 GLN HG3 H 2.401 0.007 . 345 156 31 GLN HE21 H 7.558 0.004 . 346 156 31 GLN HE22 H 6.809 0.004 . 347 156 31 GLN C C 178.904 0.015 . 348 156 31 GLN CA C 58.679 0.092 . 349 156 31 GLN CB C 28.669 0.220 . 350 156 31 GLN CG C 33.897 0.047 . 351 156 31 GLN N N 120.605 0.057 . 352 156 31 GLN NE2 N 111.661 0.032 . 353 157 32 LEU H H 8.845 0.006 . 354 157 32 LEU HA H 3.953 0.011 . 355 157 32 LEU HB2 H 1.657 0.011 . 356 157 32 LEU HB3 H 1.657 0.011 . 357 157 32 LEU HD1 H 0.848 0.008 . 358 157 32 LEU HD2 H 0.792 0.006 . 359 157 32 LEU C C 177.406 0.026 . 360 157 32 LEU CA C 57.957 0.156 . 361 157 32 LEU CB C 41.486 0.164 . 362 157 32 LEU CD1 C 24.575 0.000 . 363 157 32 LEU CD2 C 24.541 0.120 . 364 157 32 LEU N N 120.488 0.100 . 365 158 33 LYS H H 8.145 0.007 . 366 158 33 LYS HE2 H 2.865 0.007 . 367 158 33 LYS HE3 H 2.865 0.007 . 368 158 33 LYS C C 176.891 0.018 . 369 158 33 LYS CA C 60.535 0.118 . 370 158 33 LYS CB C 31.903 0.114 . 371 158 33 LYS N N 118.053 0.045 . 372 159 34 THR H H 7.393 0.006 . 373 159 34 THR HA H 3.812 0.003 . 374 159 34 THR HB H 4.181 0.007 . 375 159 34 THR HG2 H 1.214 0.012 . 376 159 34 THR C C 176.273 0.000 . 377 159 34 THR CA C 66.367 0.074 . 378 159 34 THR CB C 68.902 0.111 . 379 159 34 THR CG2 C 21.928 0.048 . 380 159 34 THR N N 112.948 0.046 . 381 160 35 LEU H H 8.005 0.008 . 382 160 35 LEU HA H 4.066 0.011 . 383 160 35 LEU HG H 1.756 0.005 . 384 160 35 LEU HD1 H 0.899 0.015 . 385 160 35 LEU HD2 H 0.817 0.008 . 386 160 35 LEU C C 179.994 0.038 . 387 160 35 LEU CA C 58.096 0.064 . 388 160 35 LEU CB C 43.107 0.095 . 389 160 35 LEU CD1 C 27.686 0.068 . 390 160 35 LEU CD2 C 23.473 0.032 . 391 160 35 LEU N N 120.435 0.051 . 392 161 36 ILE H H 8.847 0.007 . 393 161 36 ILE HA H 3.934 0.009 . 394 161 36 ILE HB H 1.791 0.006 . 395 161 36 ILE HG12 H 1.335 0.007 . 396 161 36 ILE HG13 H 1.266 0.011 . 397 161 36 ILE HG2 H 0.860 0.008 . 398 161 36 ILE HD1 H 0.715 0.008 . 399 161 36 ILE C C 176.957 0.001 . 400 161 36 ILE CA C 60.979 0.132 . 401 161 36 ILE CB C 37.229 0.091 . 402 161 36 ILE CG1 C 28.534 0.085 . 403 161 36 ILE CG2 C 19.083 0.072 . 404 161 36 ILE CD1 C 13.754 0.048 . 405 161 36 ILE N N 120.041 0.074 . 406 162 37 LEU H H 7.944 0.006 . 407 162 37 LEU HA H 3.909 0.007 . 408 162 37 LEU HB2 H 1.862 0.008 . 409 162 37 LEU HB3 H 1.320 0.012 . 410 162 37 LEU HD1 H 0.746 0.008 . 411 162 37 LEU HD2 H 0.602 0.005 . 412 162 37 LEU C C 179.562 0.000 . 413 162 37 LEU CA C 58.035 0.069 . 414 162 37 LEU CB C 40.219 0.115 . 415 162 37 LEU CD1 C 26.023 0.038 . 416 162 37 LEU CD2 C 22.533 0.055 . 417 162 37 LEU N N 121.236 0.025 . 418 163 38 ASP H H 7.844 0.006 . 419 163 38 ASP HA H 4.458 0.012 . 420 163 38 ASP HB2 H 2.766 0.007 . 421 163 38 ASP HB3 H 2.592 0.006 . 422 163 38 ASP C C 178.858 0.008 . 423 163 38 ASP CA C 56.964 0.107 . 424 163 38 ASP CB C 40.822 0.138 . 425 163 38 ASP N N 117.983 0.027 . 426 164 39 ALA H H 7.869 0.007 . 427 164 39 ALA HA H 4.086 0.022 . 428 164 39 ALA HB H 1.244 0.009 . 429 164 39 ALA C C 179.354 0.003 . 430 164 39 ALA CA C 54.396 0.218 . 431 164 39 ALA CB C 17.785 0.111 . 432 164 39 ALA N N 122.425 0.024 . 433 165 40 LEU H H 7.669 0.006 . 434 165 40 LEU HA H 4.222 0.007 . 435 165 40 LEU HB2 H 1.613 0.012 . 436 165 40 LEU HB3 H 1.613 0.012 . 437 165 40 LEU HG H 1.559 0.009 . 438 165 40 LEU HD1 H 0.757 0.008 . 439 165 40 LEU HD2 H 0.757 0.008 . 440 165 40 LEU C C 176.661 0.005 . 441 165 40 LEU CA C 54.642 0.067 . 442 165 40 LEU CB C 41.957 0.121 . 443 165 40 LEU CG C 26.062 0.159 . 444 165 40 LEU CD1 C 22.525 0.050 . 445 165 40 LEU CD2 C 22.525 0.050 . 446 165 40 LEU N N 116.489 0.039 . 447 166 41 LYS H H 7.806 0.007 . 448 166 41 LYS HA H 4.058 0.010 . 449 166 41 LYS HB2 H 1.911 0.035 . 450 166 41 LYS HB3 H 1.911 0.035 . 451 166 41 LYS HG2 H 1.380 0.014 . 452 166 41 LYS HG3 H 1.380 0.014 . 453 166 41 LYS HE2 H 2.966 0.018 . 454 166 41 LYS HE3 H 2.966 0.018 . 455 166 41 LYS C C 176.651 0.012 . 456 166 41 LYS CA C 57.100 0.152 . 457 166 41 LYS CB C 30.249 0.089 . 458 166 41 LYS CG C 24.732 0.067 . 459 166 41 LYS CD C 28.974 0.071 . 460 166 41 LYS CE C 42.404 0.000 . 461 166 41 LYS N N 118.229 0.031 . 462 167 42 LYS H H 8.249 0.005 . 463 167 42 LYS HA H 4.278 0.010 . 464 167 42 LYS HB2 H 1.617 0.026 . 465 167 42 LYS HB3 H 1.617 0.026 . 466 167 42 LYS HG2 H 1.339 0.008 . 467 167 42 LYS HG3 H 1.339 0.008 . 468 167 42 LYS HD2 H 1.538 0.003 . 469 167 42 LYS HD3 H 1.538 0.003 . 470 167 42 LYS HE2 H 2.903 0.008 . 471 167 42 LYS HE3 H 2.903 0.008 . 472 167 42 LYS C C 176.163 0.015 . 473 167 42 LYS CA C 55.658 0.150 . 474 167 42 LYS CB C 33.462 0.086 . 475 167 42 LYS CG C 24.834 0.041 . 476 167 42 LYS CD C 28.699 0.090 . 477 167 42 LYS CE C 41.851 0.122 . 478 167 42 LYS N N 119.380 0.034 . 479 168 43 ASP H H 8.350 0.005 . 480 168 43 ASP HA H 4.601 0.017 . 481 168 43 ASP HB2 H 2.743 0.008 . 482 168 43 ASP HB3 H 2.659 0.006 . 483 168 43 ASP C C 177.001 0.018 . 484 168 43 ASP CA C 54.192 0.153 . 485 168 43 ASP CB C 41.383 0.125 . 486 168 43 ASP N N 120.812 0.040 . 487 169 44 SER H H 8.608 0.007 . 488 169 44 SER HA H 4.199 0.003 . 489 169 44 SER HB2 H 3.864 0.013 . 490 169 44 SER HB3 H 3.864 0.013 . 491 169 44 SER C C 175.643 0.019 . 492 169 44 SER CA C 59.636 0.192 . 493 169 44 SER CB C 63.237 0.163 . 494 169 44 SER N N 119.061 0.107 . 495 170 45 SER H H 8.514 0.006 . 496 170 45 SER HA H 4.335 0.004 . 497 170 45 SER HB2 H 3.939 0.026 . 498 170 45 SER HB3 H 3.878 0.014 . 499 170 45 SER C C 175.275 0.008 . 500 170 45 SER CA C 59.700 0.102 . 501 170 45 SER CB C 63.243 0.157 . 502 170 45 SER N N 118.325 0.026 . 503 171 46 ARG H H 7.965 0.006 . 504 171 46 ARG HA H 4.231 0.012 . 505 171 46 ARG HB2 H 1.755 0.026 . 506 171 46 ARG HB3 H 1.755 0.026 . 507 171 46 ARG HG2 H 1.480 0.002 . 508 171 46 ARG HG3 H 1.480 0.002 . 509 171 46 ARG HD2 H 3.120 0.008 . 510 171 46 ARG HD3 H 3.120 0.008 . 511 171 46 ARG C C 176.223 0.016 . 512 171 46 ARG CA C 56.368 0.109 . 513 171 46 ARG CB C 30.148 0.116 . 514 171 46 ARG CG C 27.047 0.074 . 515 171 46 ARG CD C 43.095 0.078 . 516 171 46 ARG N N 121.317 0.062 . 517 172 47 HIS H H 8.036 0.008 . 518 172 47 HIS HA H 4.663 0.005 . 519 172 47 HIS HB2 H 3.222 0.014 . 520 172 47 HIS HB3 H 2.933 0.019 . 521 172 47 HIS C C 175.122 0.016 . 522 172 47 HIS CA C 55.935 0.120 . 523 172 47 HIS CB C 29.974 0.102 . 524 172 47 HIS N N 118.894 0.045 . 525 173 48 SER H H 8.029 0.006 . 526 173 48 SER HA H 4.313 0.003 . 527 173 48 SER HB2 H 3.835 0.008 . 528 173 48 SER HB3 H 3.835 0.008 . 529 173 48 SER C C 174.559 0.027 . 530 173 48 SER CA C 59.297 0.077 . 531 173 48 SER CB C 63.522 0.027 . 532 173 48 SER N N 116.302 0.051 . 533 174 49 LYS H H 8.394 0.005 . 534 174 49 LYS HA H 4.336 0.008 . 535 174 49 LYS HB2 H 1.764 0.000 . 536 174 49 LYS HB3 H 1.764 0.000 . 537 174 49 LYS HG2 H 1.362 0.014 . 538 174 49 LYS HG3 H 1.362 0.014 . 539 174 49 LYS HD2 H 1.643 0.007 . 540 174 49 LYS HD3 H 1.643 0.007 . 541 174 49 LYS HE2 H 2.938 0.013 . 542 174 49 LYS HE3 H 2.938 0.013 . 543 174 49 LYS C C 175.929 0.042 . 544 174 49 LYS CA C 55.918 0.164 . 545 174 49 LYS CB C 32.143 0.139 . 546 174 49 LYS CG C 24.602 0.000 . 547 174 49 LYS CD C 28.974 0.075 . 548 174 49 LYS CE C 42.197 0.000 . 549 174 49 LYS N N 122.545 0.068 . 550 175 50 LEU H H 7.943 0.008 . 551 175 50 LEU HA H 4.402 0.022 . 552 175 50 LEU HB2 H 1.608 0.008 . 553 175 50 LEU HB3 H 1.373 0.009 . 554 175 50 LEU HG H 1.644 0.010 . 555 175 50 LEU HD1 H 0.843 0.007 . 556 175 50 LEU HD2 H 0.809 0.007 . 557 175 50 LEU C C 176.575 0.008 . 558 175 50 LEU CA C 54.697 0.130 . 559 175 50 LEU CB C 43.481 0.097 . 560 175 50 LEU CG C 26.652 0.166 . 561 175 50 LEU CD1 C 26.206 0.101 . 562 175 50 LEU CD2 C 23.968 0.106 . 563 175 50 LEU N N 123.393 0.022 . 564 176 51 GLU H H 9.136 0.005 . 565 176 51 GLU HA H 4.551 0.004 . 566 176 51 GLU HB2 H 2.356 0.003 . 567 176 51 GLU HB3 H 2.008 0.011 . 568 176 51 GLU HG2 H 2.379 0.007 . 569 176 51 GLU HG3 H 2.344 0.011 . 570 176 51 GLU C C 177.445 0.005 . 571 176 51 GLU CA C 54.962 0.075 . 572 176 51 GLU CB C 31.245 0.098 . 573 176 51 GLU CG C 36.501 0.029 . 574 176 51 GLU N N 123.357 0.038 . 575 177 52 LYS H H 8.858 0.006 . 576 177 52 LYS HA H 3.830 0.009 . 577 177 52 LYS HB2 H 1.863 0.005 . 578 177 52 LYS HB3 H 1.863 0.005 . 579 177 52 LYS HG2 H 1.527 0.002 . 580 177 52 LYS HG3 H 1.340 0.009 . 581 177 52 LYS HD2 H 1.707 0.017 . 582 177 52 LYS HD3 H 1.707 0.017 . 583 177 52 LYS HE2 H 2.934 0.014 . 584 177 52 LYS HE3 H 2.934 0.014 . 585 177 52 LYS C C 177.908 0.025 . 586 177 52 LYS CA C 61.105 0.145 . 587 177 52 LYS CB C 32.423 0.199 . 588 177 52 LYS CG C 24.964 0.132 . 589 177 52 LYS CD C 29.430 0.102 . 590 177 52 LYS CE C 41.891 0.194 . 591 177 52 LYS N N 122.655 0.037 . 592 178 53 ALA H H 9.131 0.004 . 593 178 53 ALA HA H 3.892 0.006 . 594 178 53 ALA HB H 1.278 0.014 . 595 178 53 ALA C C 179.758 0.012 . 596 178 53 ALA CA C 55.456 0.111 . 597 178 53 ALA CB C 17.839 0.097 . 598 178 53 ALA N N 118.008 0.054 . 599 179 54 ASP H H 7.052 0.010 . 600 179 54 ASP HA H 4.346 0.012 . 601 179 54 ASP HB2 H 2.902 0.006 . 602 179 54 ASP HB3 H 2.699 0.009 . 603 179 54 ASP C C 178.104 0.000 . 604 179 54 ASP CA C 57.088 0.182 . 605 179 54 ASP CB C 41.728 0.141 . 606 179 54 ASP N N 114.744 0.044 . 607 180 55 ILE H H 7.983 0.007 . 608 180 55 ILE HA H 3.592 0.007 . 609 180 55 ILE HB H 1.989 0.008 . 610 180 55 ILE HG12 H 0.984 0.010 . 611 180 55 ILE HG13 H 0.984 0.010 . 612 180 55 ILE HG2 H 0.758 0.007 . 613 180 55 ILE HD1 H 0.750 0.004 . 614 180 55 ILE C C 179.567 0.000 . 615 180 55 ILE CA C 64.201 0.098 . 616 180 55 ILE CB C 37.514 0.125 . 617 180 55 ILE CG1 C 28.992 0.091 . 618 180 55 ILE CG2 C 17.262 0.034 . 619 180 55 ILE CD1 C 12.868 0.075 . 620 180 55 ILE N N 119.398 0.062 . 621 181 56 LEU H H 8.171 0.010 . 622 181 56 LEU HA H 3.931 0.019 . 623 181 56 LEU HD1 H 0.861 0.020 . 624 181 56 LEU HD2 H 0.681 0.008 . 625 181 56 LEU C C 178.312 0.000 . 626 181 56 LEU CA C 58.588 0.039 . 627 181 56 LEU CB C 41.727 0.113 . 628 181 56 LEU CD1 C 26.548 0.142 . 629 181 56 LEU CD2 C 22.806 0.048 . 630 181 56 LEU N N 120.930 0.037 . 631 182 57 GLU H H 7.984 0.010 . 632 182 57 GLU HA H 3.917 0.008 . 633 182 57 GLU HB2 H 2.265 0.015 . 634 182 57 GLU HB3 H 1.994 0.009 . 635 182 57 GLU HG2 H 2.543 0.009 . 636 182 57 GLU HG3 H 2.297 0.008 . 637 182 57 GLU C C 180.151 0.002 . 638 182 57 GLU CA C 59.864 0.101 . 639 182 57 GLU CB C 29.364 0.150 . 640 182 57 GLU CG C 37.035 0.110 . 641 182 57 GLU N N 119.314 0.076 . 642 183 58 MET H H 8.639 0.005 . 643 183 58 MET HA H 4.033 0.007 . 644 183 58 MET HG2 H 2.713 0.005 . 645 183 58 MET HG3 H 2.545 0.009 . 646 183 58 MET C C 178.488 0.017 . 647 183 58 MET CA C 59.083 0.045 . 648 183 58 MET CB C 33.883 0.146 . 649 183 58 MET CG C 32.422 0.080 . 650 183 58 MET N N 118.669 0.031 . 651 184 59 THR H H 7.946 0.007 . 652 184 59 THR HA H 3.853 0.014 . 653 184 59 THR HB H 4.448 0.015 . 654 184 59 THR HG2 H 1.169 0.006 . 655 184 59 THR C C 175.659 0.000 . 656 184 59 THR CA C 68.029 0.095 . 657 184 59 THR CB C 67.595 0.122 . 658 184 59 THR CG2 C 22.295 0.136 . 659 184 59 THR N N 118.733 0.051 . 660 185 60 VAL H H 8.089 0.011 . 661 185 60 VAL HA H 3.311 0.005 . 662 185 60 VAL HB H 2.165 0.007 . 663 185 60 VAL HG1 H 1.095 0.006 . 664 185 60 VAL HG2 H 0.865 0.007 . 665 185 60 VAL C C 177.078 0.000 . 666 185 60 VAL CA C 67.381 0.631 . 667 185 60 VAL CB C 32.168 0.149 . 668 185 60 VAL CG1 C 24.532 0.050 . 669 185 60 VAL CG2 C 20.997 0.071 . 670 185 60 VAL N N 122.083 0.072 . 671 186 61 LYS H H 7.785 0.010 . 672 186 61 LYS HA H 3.835 0.009 . 673 186 61 LYS HB2 H 1.891 0.007 . 674 186 61 LYS HB3 H 1.891 0.007 . 675 186 61 LYS HG2 H 1.568 0.006 . 676 186 61 LYS HG3 H 1.408 0.004 . 677 186 61 LYS HD2 H 1.676 0.006 . 678 186 61 LYS HD3 H 1.676 0.006 . 679 186 61 LYS HE2 H 2.945 0.005 . 680 186 61 LYS HE3 H 2.945 0.005 . 681 186 61 LYS C C 178.617 0.003 . 682 186 61 LYS CA C 60.014 0.133 . 683 186 61 LYS CB C 32.336 0.129 . 684 186 61 LYS CG C 25.447 0.107 . 685 186 61 LYS CD C 29.410 0.098 . 686 186 61 LYS N N 117.409 0.052 . 687 187 62 HIS H H 8.055 0.008 . 688 187 62 HIS HA H 4.513 0.012 . 689 187 62 HIS HB2 H 3.177 0.013 . 690 187 62 HIS HB3 H 3.102 0.011 . 691 187 62 HIS C C 177.356 0.020 . 692 187 62 HIS CA C 59.368 0.111 . 693 187 62 HIS CB C 32.047 0.065 . 694 187 62 HIS N N 118.731 0.039 . 695 188 63 LEU H H 8.450 0.005 . 696 188 63 LEU HD1 H 0.858 0.008 . 697 188 63 LEU HD2 H 0.858 0.008 . 698 188 63 LEU C C 180.158 0.000 . 699 188 63 LEU CA C 57.927 0.075 . 700 188 63 LEU CB C 41.748 0.000 . 701 188 63 LEU N N 117.189 0.041 . 702 189 64 ARG H H 8.616 0.006 . 703 189 64 ARG HA H 3.901 0.011 . 704 189 64 ARG HB2 H 1.861 0.004 . 705 189 64 ARG HB3 H 1.861 0.004 . 706 189 64 ARG HD2 H 3.122 0.010 . 707 189 64 ARG HD3 H 3.122 0.010 . 708 189 64 ARG C C 178.875 0.009 . 709 189 64 ARG CA C 59.667 0.171 . 710 189 64 ARG CB C 29.542 0.170 . 711 189 64 ARG CG C 28.348 0.000 . 712 189 64 ARG CD C 43.420 0.058 . 713 189 64 ARG N N 119.542 0.050 . 714 190 65 ASN H H 7.935 0.006 . 715 190 65 ASN HA H 4.478 0.008 . 716 190 65 ASN HB2 H 3.036 0.006 . 717 190 65 ASN HB3 H 2.850 0.004 . 718 190 65 ASN HD21 H 6.870 0.002 . 719 190 65 ASN HD22 H 7.931 0.001 . 720 190 65 ASN C C 177.824 0.023 . 721 190 65 ASN CA C 55.393 0.111 . 722 190 65 ASN CB C 37.874 0.110 . 723 190 65 ASN N N 118.676 0.034 . 724 190 65 ASN ND2 N 112.593 0.024 . 725 191 66 LEU H H 7.890 0.008 . 726 191 66 LEU HA H 4.045 0.007 . 727 191 66 LEU HB2 H 1.696 0.009 . 728 191 66 LEU HB3 H 1.556 0.014 . 729 191 66 LEU HG H 1.393 0.006 . 730 191 66 LEU HD1 H 0.585 0.001 . 731 191 66 LEU HD2 H 0.682 0.004 . 732 191 66 LEU C C 178.707 0.008 . 733 191 66 LEU CA C 56.705 0.135 . 734 191 66 LEU CB C 41.918 0.113 . 735 191 66 LEU CG C 26.145 0.023 . 736 191 66 LEU CD1 C 25.472 0.064 . 737 191 66 LEU CD2 C 22.386 0.075 . 738 191 66 LEU N N 119.885 0.036 . 739 192 67 GLN H H 7.683 0.009 . 740 192 67 GLN HA H 4.149 0.008 . 741 192 67 GLN HB2 H 2.152 0.002 . 742 192 67 GLN HB3 H 2.081 0.003 . 743 192 67 GLN HG2 H 2.493 0.006 . 744 192 67 GLN HG3 H 2.315 0.005 . 745 192 67 GLN HE21 H 7.532 0.002 . 746 192 67 GLN HE22 H 6.872 0.003 . 747 192 67 GLN C C 176.562 0.008 . 748 192 67 GLN CA C 57.055 0.104 . 749 192 67 GLN CB C 28.937 0.112 . 750 192 67 GLN CG C 34.182 0.013 . 751 192 67 GLN N N 118.288 0.029 . 752 192 67 GLN NE2 N 111.598 0.027 . 753 193 68 ARG H H 7.786 0.005 . 754 193 68 ARG HA H 4.238 0.009 . 755 193 68 ARG HB2 H 1.863 0.005 . 756 193 68 ARG HB3 H 1.863 0.005 . 757 193 68 ARG HG2 H 1.790 0.046 . 758 193 68 ARG HG3 H 1.790 0.046 . 759 193 68 ARG HD2 H 3.194 0.005 . 760 193 68 ARG HD3 H 3.194 0.005 . 761 193 68 ARG C C 175.928 0.014 . 762 193 68 ARG CA C 56.467 0.092 . 763 193 68 ARG CB C 30.459 0.116 . 764 193 68 ARG CG C 27.092 0.000 . 765 193 68 ARG CD C 43.397 0.028 . 766 193 68 ARG N N 119.664 0.019 . 767 194 69 ALA H H 8.017 0.005 . 768 194 69 ALA HA H 4.308 0.012 . 769 194 69 ALA HB H 1.386 0.006 . 770 194 69 ALA C C 176.753 0.010 . 771 194 69 ALA CA C 52.465 0.118 . 772 194 69 ALA CB C 19.023 0.072 . 773 194 69 ALA N N 124.562 0.026 . 774 195 70 GLN H H 7.860 0.005 . 775 195 70 GLN HA H 4.102 0.008 . 776 195 70 GLN HB2 H 1.912 0.006 . 777 195 70 GLN HB3 H 1.912 0.006 . 778 195 70 GLN HG2 H 2.309 0.005 . 779 195 70 GLN HG3 H 2.097 0.004 . 780 195 70 GLN HE21 H 7.561 0.003 . 781 195 70 GLN HE22 H 6.858 0.006 . 782 195 70 GLN C C 180.615 0.000 . 783 195 70 GLN CA C 57.324 0.054 . 784 195 70 GLN CB C 30.359 0.035 . 785 195 70 GLN CG C 34.330 0.000 . 786 195 70 GLN N N 124.520 0.018 . 787 195 70 GLN NE2 N 112.689 0.070 . stop_ save_