data_15125 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N.N. ; _BMRB_accession_number 15125 _BMRB_flat_file_name bmr15125.str _Entry_type original _Submission_date 2007-02-01 _Accession_date 2007-02-01 _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 Lin Y. J. . 2 Padmanabhan B. . . 3 Yokoyama S. . . 4 Guntert P. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 549 "13C chemical shifts" 387 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2008-11-25 update BMRB 'update entry citation' 2008-10-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the extraterminal domain of the bromodomain-containing protein BRD4 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18815416 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Yi-Jan . . 2 Umehara Takashi . . 3 Inoue Makoto . . 4 Saito Kohei . . 5 Kigawa Takanori . . 6 Jang Moon-Kyoo . . 7 Ozato Keiko . . 8 Yokoyama Shigeyuki . . 9 Padmanabhan Balasundaram . . 10 Guntert Peter . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 17 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2174 _Page_last 2179 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Brd4-ET domain' $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 'Brd4-ET domain' _Molecular_mass 10328.770 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSSGSSGESEEEDKCKPMSY EEKRQLSLDINKLPGEKLGR VVHIIQSREPSLKNSNPDEI EIDFETLKPSTLRELERYVT SCLRKKRKPQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 SER 10 GLU 11 GLU 12 GLU 13 ASP 14 LYS 15 CYS 16 LYS 17 PRO 18 MET 19 SER 20 TYR 21 GLU 22 GLU 23 LYS 24 ARG 25 GLN 26 LEU 27 SER 28 LEU 29 ASP 30 ILE 31 ASN 32 LYS 33 LEU 34 PRO 35 GLY 36 GLU 37 LYS 38 LEU 39 GLY 40 ARG 41 VAL 42 VAL 43 HIS 44 ILE 45 ILE 46 GLN 47 SER 48 ARG 49 GLU 50 PRO 51 SER 52 LEU 53 LYS 54 ASN 55 SER 56 ASN 57 PRO 58 ASP 59 GLU 60 ILE 61 GLU 62 ILE 63 ASP 64 PHE 65 GLU 66 THR 67 LEU 68 LYS 69 PRO 70 SER 71 THR 72 LEU 73 ARG 74 GLU 75 LEU 76 GLU 77 ARG 78 TYR 79 VAL 80 THR 81 SER 82 CYS 83 LEU 84 ARG 85 LYS 86 LYS 87 ARG 88 LYS 89 PRO 90 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JNS "Solution Structure Of The Bromodomain-Containing Protein 4 Et Domain" 100.00 90 100.00 100.00 1.36e-55 DBJ BAE27987 "unnamed protein product [Mus musculus]" 92.22 1401 100.00 100.00 1.28e-47 DBJ BAE72981 "hypothetical protein [Macaca fascicularis]" 92.22 617 100.00 100.00 1.28e-47 EMBL CAA66186 "fsh-like protein [Mus musculus]" 92.22 128 97.59 98.80 5.39e-50 EMBL CAA72780 "HUNKI [Homo sapiens]" 92.22 722 100.00 100.00 1.46e-47 GB AAC27978 "R31546_1 [Homo sapiens]" 92.22 731 100.00 100.00 2.38e-47 GB AAG02191 "cell proliferation related protein CAP [Mus musculus]" 92.22 1400 100.00 100.00 1.23e-47 GB AAH35266 "BRD4 protein [Homo sapiens]" 92.22 794 100.00 100.00 4.63e-47 GB AAI38835 "Bromodomain containing 4 [Mus musculus]" 92.22 723 100.00 100.00 1.79e-47 GB AAI38836 "Bromodomain containing 4 [Mus musculus]" 92.22 723 100.00 100.00 1.79e-47 REF NP_001094373 "bromodomain-containing protein 4 [Rattus norvegicus]" 92.22 1403 100.00 100.00 1.16e-47 REF NP_001191701 "bromodomain-containing protein 4 [Sus scrofa]" 92.22 1368 97.59 100.00 5.62e-47 REF NP_001273559 "bromodomain-containing protein 4 isoform 3 [Mus musculus]" 92.22 1401 100.00 100.00 1.28e-47 REF NP_055114 "bromodomain-containing protein 4 isoform short [Homo sapiens]" 92.22 722 100.00 100.00 1.46e-47 REF NP_065254 "bromodomain-containing protein 4 isoform 1 [Mus musculus]" 92.22 1400 100.00 100.00 1.19e-47 SP O60885 "RecName: Full=Bromodomain-containing protein 4; AltName: Full=Protein HUNK1" 92.22 1362 100.00 100.00 9.98e-48 SP Q9ESU6 "RecName: Full=Bromodomain-containing protein 4; AltName: Full=Mitotic chromosome-associated protein; Short=MCAP" 92.22 1400 100.00 100.00 1.19e-47 TPG DAA28223 "TPA: bromodomain containing 4 [Bos taurus]" 92.22 1368 100.00 100.00 9.21e-48 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 Mouse 10090 Eukaryota Metazoa Mus musculus 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 'cell free synthesis' . Escherichia coli . n.a. stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.05 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM [U-2H] DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.2.2 loop_ _Vendor _Address _Electronic_address 'P.GUNTERT ET AL.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version 1.4 loop_ _Vendor _Address _Electronic_address 'R.KORADI ET AL.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address B.A.JOHNSON . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address N.KOBAYASHI . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-SEPARATED_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-SEPARATED NOESY' _Sample_label $sample_1 save_ save_3D_13C-SEPARATED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-SEPARATED 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' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-SEPARATED NOESY' 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 'Brd4-ET domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 GLY C C 174.318 0.300 1 2 4 4 GLY CA C 45.318 0.300 1 3 5 5 SER H H 8.211 0.030 1 4 5 5 SER HA H 4.460 0.030 1 5 5 5 SER HB2 H 3.822 0.030 1 6 5 5 SER HB3 H 3.822 0.030 1 7 5 5 SER C C 174.891 0.300 1 8 5 5 SER CA C 58.299 0.300 1 9 5 5 SER CB C 64.052 0.300 1 10 5 5 SER N N 115.510 0.300 1 11 6 6 SER H H 8.444 0.030 1 12 6 6 SER HA H 4.428 0.030 1 13 6 6 SER HB2 H 3.839 0.030 1 14 6 6 SER HB3 H 3.839 0.030 1 15 6 6 SER C C 175.096 0.300 1 16 6 6 SER CA C 58.706 0.300 1 17 6 6 SER CB C 63.920 0.300 1 18 6 6 SER N N 117.613 0.300 1 19 7 7 GLY H H 8.359 0.030 1 20 7 7 GLY HA2 H 3.916 0.030 1 21 7 7 GLY HA3 H 3.916 0.030 1 22 7 7 GLY C C 174.309 0.300 1 23 7 7 GLY CA C 45.399 0.300 1 24 7 7 GLY N N 110.468 0.300 1 25 8 8 GLU H H 8.235 0.030 1 26 8 8 GLU HA H 4.248 0.030 1 27 8 8 GLU HB2 H 1.863 0.030 2 28 8 8 GLU HB3 H 2.004 0.030 2 29 8 8 GLU HG2 H 2.182 0.030 1 30 8 8 GLU HG3 H 2.182 0.030 1 31 8 8 GLU C C 176.732 0.300 1 32 8 8 GLU CA C 56.630 0.300 1 33 8 8 GLU CB C 30.243 0.300 1 34 8 8 GLU CG C 36.228 0.300 1 35 8 8 GLU N N 120.254 0.300 1 36 9 9 SER H H 8.327 0.030 1 37 9 9 SER HA H 4.385 0.030 1 38 9 9 SER HB2 H 3.811 0.030 1 39 9 9 SER HB3 H 3.811 0.030 1 40 9 9 SER C C 174.682 0.300 1 41 9 9 SER CA C 58.470 0.300 1 42 9 9 SER CB C 63.742 0.300 1 43 9 9 SER N N 116.213 0.300 1 44 10 10 GLU H H 8.428 0.030 1 45 10 10 GLU HA H 4.232 0.030 1 46 10 10 GLU HB2 H 1.871 0.030 2 47 10 10 GLU HB3 H 2.002 0.030 2 48 10 10 GLU HG2 H 2.200 0.030 1 49 10 10 GLU HG3 H 2.200 0.030 1 50 10 10 GLU C C 176.769 0.300 1 51 10 10 GLU CA C 56.887 0.300 1 52 10 10 GLU CB C 30.267 0.300 1 53 10 10 GLU CG C 36.389 0.300 1 54 10 10 GLU N N 122.618 0.300 1 55 11 11 GLU H H 8.315 0.030 1 56 11 11 GLU HA H 4.179 0.030 1 57 11 11 GLU HB2 H 1.878 0.030 2 58 11 11 GLU HB3 H 1.986 0.030 2 59 11 11 GLU HG2 H 2.196 0.030 1 60 11 11 GLU HG3 H 2.196 0.030 1 61 11 11 GLU C C 177.182 0.300 1 62 11 11 GLU CA C 56.896 0.300 1 63 11 11 GLU CB C 30.317 0.300 1 64 11 11 GLU CG C 36.336 0.300 1 65 11 11 GLU N N 120.909 0.300 1 66 12 12 GLU H H 8.333 0.030 1 67 12 12 GLU HA H 4.100 0.030 1 68 12 12 GLU HB2 H 1.920 0.030 1 69 12 12 GLU HB3 H 1.920 0.030 1 70 12 12 GLU HG2 H 2.189 0.030 1 71 12 12 GLU HG3 H 2.189 0.030 1 72 12 12 GLU C C 176.860 0.300 1 73 12 12 GLU CA C 57.495 0.300 1 74 12 12 GLU CB C 30.221 0.300 1 75 12 12 GLU CG C 36.296 0.300 1 76 12 12 GLU N N 121.578 0.300 1 77 13 13 ASP H H 8.332 0.030 1 78 13 13 ASP HA H 4.468 0.030 1 79 13 13 ASP HB2 H 2.584 0.030 2 80 13 13 ASP HB3 H 2.657 0.030 2 81 13 13 ASP C C 176.833 0.300 1 82 13 13 ASP CA C 54.921 0.300 1 83 13 13 ASP CB C 40.912 0.300 1 84 13 13 ASP N N 120.147 0.300 1 85 14 14 LYS H H 8.014 0.030 1 86 14 14 LYS HA H 4.204 0.030 1 87 14 14 LYS HB2 H 1.719 0.030 2 88 14 14 LYS HB3 H 1.850 0.030 2 89 14 14 LYS HG2 H 1.332 0.030 2 90 14 14 LYS HG3 H 1.422 0.030 2 91 14 14 LYS HD2 H 1.597 0.030 1 92 14 14 LYS HD3 H 1.597 0.030 1 93 14 14 LYS HE2 H 2.919 0.030 1 94 14 14 LYS HE3 H 2.919 0.030 1 95 14 14 LYS C C 176.568 0.300 1 96 14 14 LYS CA C 56.558 0.300 1 97 14 14 LYS CB C 32.598 0.300 1 98 14 14 LYS CG C 24.913 0.300 1 99 14 14 LYS CD C 28.932 0.300 1 100 14 14 LYS CE C 42.195 0.300 1 101 14 14 LYS N N 120.485 0.300 1 102 15 15 CYS H H 8.013 0.030 1 103 15 15 CYS HA H 4.304 0.030 1 104 15 15 CYS HB2 H 2.728 0.030 2 105 15 15 CYS HB3 H 2.766 0.030 2 106 15 15 CYS C C 173.801 0.300 1 107 15 15 CYS CA C 58.337 0.300 1 108 15 15 CYS CB C 28.061 0.300 1 109 15 15 CYS N N 118.099 0.300 1 110 16 16 LYS H H 8.287 0.030 1 111 16 16 LYS HA H 4.491 0.030 1 112 16 16 LYS HB2 H 1.682 0.030 2 113 16 16 LYS HB3 H 1.750 0.030 2 114 16 16 LYS HG2 H 1.454 0.030 1 115 16 16 LYS HG3 H 1.454 0.030 1 116 16 16 LYS HD2 H 1.600 0.030 1 117 16 16 LYS HD3 H 1.600 0.030 1 118 16 16 LYS HE2 H 2.933 0.030 1 119 16 16 LYS HE3 H 2.933 0.030 1 120 16 16 LYS C C 175.117 0.300 1 121 16 16 LYS CA C 54.512 0.300 1 122 16 16 LYS CB C 32.697 0.300 1 123 16 16 LYS CG C 24.514 0.300 1 124 16 16 LYS N N 125.369 0.300 1 125 17 17 PRO HA H 4.247 0.030 1 126 17 17 PRO HB2 H 1.765 0.030 2 127 17 17 PRO HB3 H 2.289 0.030 2 128 17 17 PRO HG2 H 1.907 0.030 2 129 17 17 PRO HG3 H 1.997 0.030 2 130 17 17 PRO HD2 H 3.582 0.030 2 131 17 17 PRO HD3 H 3.951 0.030 2 132 17 17 PRO C C 176.956 0.300 1 133 17 17 PRO CA C 63.088 0.300 1 134 17 17 PRO CB C 32.244 0.300 1 135 17 17 PRO CG C 27.624 0.300 1 136 17 17 PRO CD C 51.083 0.300 1 137 18 18 MET H H 8.516 0.030 1 138 18 18 MET HA H 4.488 0.030 1 139 18 18 MET HB2 H 1.639 0.030 2 140 18 18 MET HB3 H 1.985 0.030 2 141 18 18 MET HG2 H 2.186 0.030 2 142 18 18 MET HG3 H 2.518 0.030 2 143 18 18 MET HE H 1.736 0.030 1 144 18 18 MET C C 176.759 0.300 1 145 18 18 MET CA C 56.169 0.300 1 146 18 18 MET CB C 35.531 0.300 1 147 18 18 MET CG C 34.380 0.300 1 148 18 18 MET CE C 18.830 0.300 1 149 18 18 MET N N 121.801 0.300 1 150 19 19 SER H H 9.100 0.030 1 151 19 19 SER HA H 4.459 0.030 1 152 19 19 SER HB2 H 4.006 0.030 1 153 19 19 SER HB3 H 4.006 0.030 1 154 19 19 SER C C 175.018 0.300 1 155 19 19 SER CA C 56.894 0.300 1 156 19 19 SER CB C 65.854 0.300 1 157 19 19 SER N N 119.212 0.300 1 158 20 20 TYR H H 8.959 0.030 1 159 20 20 TYR HA H 4.029 0.030 1 160 20 20 TYR HB2 H 2.905 0.030 2 161 20 20 TYR HB3 H 3.190 0.030 2 162 20 20 TYR HD1 H 7.087 0.030 1 163 20 20 TYR HD2 H 7.087 0.030 1 164 20 20 TYR HE1 H 6.777 0.030 1 165 20 20 TYR HE2 H 6.777 0.030 1 166 20 20 TYR C C 177.960 0.300 1 167 20 20 TYR CA C 62.463 0.300 1 168 20 20 TYR CB C 38.009 0.300 1 169 20 20 TYR CD1 C 133.310 0.300 1 170 20 20 TYR CD2 C 133.310 0.300 1 171 20 20 TYR CE1 C 118.235 0.300 1 172 20 20 TYR CE2 C 118.235 0.300 1 173 20 20 TYR N N 121.218 0.300 1 174 21 21 GLU H H 8.825 0.030 1 175 21 21 GLU HA H 3.811 0.030 1 176 21 21 GLU HB2 H 1.862 0.030 2 177 21 21 GLU HB3 H 2.003 0.030 2 178 21 21 GLU HG2 H 2.244 0.030 2 179 21 21 GLU HG3 H 2.433 0.030 2 180 21 21 GLU C C 179.481 0.300 1 181 21 21 GLU CA C 59.951 0.300 1 182 21 21 GLU CB C 28.823 0.300 1 183 21 21 GLU CG C 36.681 0.300 1 184 21 21 GLU N N 118.696 0.300 1 185 22 22 GLU H H 7.771 0.030 1 186 22 22 GLU HA H 3.899 0.030 1 187 22 22 GLU HB2 H 1.902 0.030 2 188 22 22 GLU HB3 H 2.191 0.030 2 189 22 22 GLU HG2 H 2.151 0.030 2 190 22 22 GLU HG3 H 2.366 0.030 2 191 22 22 GLU C C 179.680 0.300 1 192 22 22 GLU CA C 59.498 0.300 1 193 22 22 GLU CB C 30.385 0.300 1 194 22 22 GLU CG C 38.093 0.300 1 195 22 22 GLU N N 120.141 0.300 1 196 23 23 LYS H H 8.101 0.030 1 197 23 23 LYS HA H 3.662 0.030 1 198 23 23 LYS HB2 H 1.629 0.030 2 199 23 23 LYS HB3 H 1.762 0.030 2 200 23 23 LYS HG2 H 1.112 0.030 2 201 23 23 LYS HG3 H 1.407 0.030 2 202 23 23 LYS HD2 H 1.463 0.030 2 203 23 23 LYS HD3 H 1.619 0.030 2 204 23 23 LYS HE2 H 2.644 0.030 2 205 23 23 LYS HE3 H 2.730 0.030 2 206 23 23 LYS C C 178.250 0.300 1 207 23 23 LYS CA C 60.345 0.300 1 208 23 23 LYS CB C 32.611 0.300 1 209 23 23 LYS CG C 27.601 0.300 1 210 23 23 LYS CD C 29.844 0.300 1 211 23 23 LYS CE C 41.883 0.300 1 212 23 23 LYS N N 120.594 0.300 1 213 24 24 ARG H H 8.030 0.030 1 214 24 24 ARG HA H 3.721 0.030 1 215 24 24 ARG HB2 H 1.453 0.030 2 216 24 24 ARG HB3 H 1.689 0.030 2 217 24 24 ARG HG2 H 1.270 0.030 2 218 24 24 ARG HG3 H 1.446 0.030 2 219 24 24 ARG HD2 H 2.968 0.030 2 220 24 24 ARG HD3 H 3.095 0.030 2 221 24 24 ARG C C 178.992 0.300 1 222 24 24 ARG CA C 59.055 0.300 1 223 24 24 ARG CB C 29.623 0.300 1 224 24 24 ARG CG C 26.817 0.300 1 225 24 24 ARG CD C 43.158 0.300 1 226 24 24 ARG N N 120.100 0.300 1 227 25 25 GLN H H 7.940 0.030 1 228 25 25 GLN HA H 3.706 0.030 1 229 25 25 GLN HB2 H 1.969 0.030 2 230 25 25 GLN HB3 H 2.059 0.030 2 231 25 25 GLN HG2 H 2.308 0.030 1 232 25 25 GLN HG3 H 2.308 0.030 1 233 25 25 GLN HE21 H 6.715 0.030 2 234 25 25 GLN HE22 H 7.803 0.030 2 235 25 25 GLN C C 177.078 0.300 1 236 25 25 GLN CA C 58.104 0.300 1 237 25 25 GLN CB C 28.294 0.300 1 238 25 25 GLN CG C 33.321 0.300 1 239 25 25 GLN N N 118.586 0.300 1 240 25 25 GLN NE2 N 116.268 0.300 1 241 26 26 LEU H H 7.843 0.030 1 242 26 26 LEU HA H 4.182 0.030 1 243 26 26 LEU HB2 H 1.386 0.030 2 244 26 26 LEU HB3 H 1.788 0.030 2 245 26 26 LEU HG H 1.474 0.030 1 246 26 26 LEU HD1 H 0.643 0.030 2 247 26 26 LEU HD2 H 0.845 0.030 2 248 26 26 LEU C C 178.116 0.300 1 249 26 26 LEU CA C 57.867 0.300 1 250 26 26 LEU CB C 41.167 0.300 1 251 26 26 LEU CD1 C 26.935 0.300 1 252 26 26 LEU CD2 C 23.188 0.300 1 253 26 26 LEU N N 119.570 0.300 1 254 27 27 SER H H 7.710 0.030 1 255 27 27 SER HA H 3.869 0.030 1 256 27 27 SER HB2 H 3.597 0.030 2 257 27 27 SER HB3 H 3.668 0.030 2 258 27 27 SER C C 176.845 0.300 1 259 27 27 SER CA C 61.478 0.300 1 260 27 27 SER CB C 62.828 0.300 1 261 27 27 SER N N 112.126 0.300 1 262 28 28 LEU H H 7.613 0.030 1 263 28 28 LEU HA H 3.954 0.030 1 264 28 28 LEU HB2 H 1.339 0.030 2 265 28 28 LEU HB3 H 1.842 0.030 2 266 28 28 LEU HG H 1.679 0.030 1 267 28 28 LEU HD1 H 0.765 0.030 2 268 28 28 LEU HD2 H 0.745 0.030 2 269 28 28 LEU C C 180.044 0.300 1 270 28 28 LEU CA C 57.862 0.300 1 271 28 28 LEU CB C 41.703 0.300 1 272 28 28 LEU CG C 26.451 0.300 1 273 28 28 LEU CD1 C 22.933 0.300 1 274 28 28 LEU CD2 C 25.291 0.300 1 275 28 28 LEU N N 120.774 0.300 1 276 29 29 ASP H H 8.476 0.030 1 277 29 29 ASP HA H 4.236 0.030 1 278 29 29 ASP HB2 H 2.312 0.030 2 279 29 29 ASP HB3 H 2.721 0.030 2 280 29 29 ASP C C 179.532 0.300 1 281 29 29 ASP CA C 57.618 0.300 1 282 29 29 ASP CB C 40.447 0.300 1 283 29 29 ASP N N 120.971 0.300 1 284 30 30 ILE H H 8.558 0.030 1 285 30 30 ILE HA H 3.564 0.030 1 286 30 30 ILE HB H 1.968 0.030 1 287 30 30 ILE HG12 H 0.986 0.030 2 288 30 30 ILE HG13 H 1.939 0.030 2 289 30 30 ILE HG2 H 0.903 0.030 1 290 30 30 ILE HD1 H 0.919 0.030 1 291 30 30 ILE C C 178.098 0.300 1 292 30 30 ILE CA C 65.616 0.300 1 293 30 30 ILE CB C 37.697 0.300 1 294 30 30 ILE CG1 C 31.593 0.300 1 295 30 30 ILE CG2 C 17.350 0.300 1 296 30 30 ILE CD1 C 14.167 0.300 1 297 30 30 ILE N N 120.240 0.300 1 298 31 31 ASN H H 7.350 0.030 1 299 31 31 ASN HA H 4.560 0.030 1 300 31 31 ASN HB2 H 2.852 0.030 1 301 31 31 ASN HB3 H 2.852 0.030 1 302 31 31 ASN HD21 H 6.858 0.030 2 303 31 31 ASN HD22 H 7.475 0.030 2 304 31 31 ASN C C 175.952 0.300 1 305 31 31 ASN CA C 54.997 0.300 1 306 31 31 ASN CB C 38.769 0.300 1 307 31 31 ASN N N 115.285 0.300 1 308 31 31 ASN ND2 N 111.481 0.300 1 309 32 32 LYS H H 7.509 0.030 1 310 32 32 LYS HA H 4.286 0.030 1 311 32 32 LYS HB2 H 1.919 0.030 2 312 32 32 LYS HB3 H 1.965 0.030 2 313 32 32 LYS HG2 H 1.411 0.030 2 314 32 32 LYS HG3 H 1.663 0.030 2 315 32 32 LYS HD2 H 1.580 0.030 2 316 32 32 LYS HD3 H 1.668 0.030 2 317 32 32 LYS HE2 H 2.830 0.030 1 318 32 32 LYS HE3 H 2.830 0.030 1 319 32 32 LYS C C 177.232 0.300 1 320 32 32 LYS CA C 56.330 0.300 1 321 32 32 LYS CB C 33.570 0.300 1 322 32 32 LYS CG C 25.090 0.300 1 323 32 32 LYS CD C 29.604 0.300 1 324 32 32 LYS CE C 42.365 0.300 1 325 32 32 LYS N N 117.496 0.300 1 326 33 33 LEU H H 7.455 0.030 1 327 33 33 LEU HA H 4.265 0.030 1 328 33 33 LEU HB2 H 1.280 0.030 2 329 33 33 LEU HB3 H 1.955 0.030 2 330 33 33 LEU HG H 2.110 0.030 1 331 33 33 LEU HD1 H 0.764 0.030 2 332 33 33 LEU HD2 H 0.944 0.030 2 333 33 33 LEU CA C 53.436 0.300 1 334 33 33 LEU CB C 41.464 0.300 1 335 33 33 LEU CG C 26.110 0.300 1 336 33 33 LEU CD1 C 23.300 0.300 1 337 33 33 LEU CD2 C 26.790 0.300 1 338 33 33 LEU N N 120.501 0.300 1 339 34 34 PRO HA H 4.561 0.030 1 340 34 34 PRO HB2 H 1.998 0.030 2 341 34 34 PRO HB3 H 2.431 0.030 2 342 34 34 PRO HG2 H 1.946 0.030 2 343 34 34 PRO HG3 H 2.123 0.030 2 344 34 34 PRO HD2 H 3.335 0.030 2 345 34 34 PRO HD3 H 3.873 0.030 2 346 34 34 PRO C C 178.359 0.300 1 347 34 34 PRO CA C 62.251 0.300 1 348 34 34 PRO CB C 32.489 0.300 1 349 34 34 PRO CG C 27.816 0.300 1 350 34 34 PRO CD C 50.319 0.300 1 351 35 35 GLY H H 8.865 0.030 1 352 35 35 GLY HA2 H 3.709 0.030 2 353 35 35 GLY HA3 H 4.005 0.030 2 354 35 35 GLY C C 176.845 0.300 1 355 35 35 GLY CA C 48.165 0.300 1 356 35 35 GLY N N 109.986 0.300 1 357 36 36 GLU H H 9.360 0.030 1 358 36 36 GLU HA H 4.233 0.030 1 359 36 36 GLU HB2 H 2.029 0.030 1 360 36 36 GLU HB3 H 2.029 0.030 1 361 36 36 GLU HG2 H 2.207 0.030 2 362 36 36 GLU HG3 H 2.283 0.030 2 363 36 36 GLU C C 178.326 0.300 1 364 36 36 GLU CA C 58.964 0.300 1 365 36 36 GLU CB C 28.689 0.300 1 366 36 36 GLU CG C 36.015 0.300 1 367 36 36 GLU N N 119.485 0.300 1 368 37 37 LYS H H 7.734 0.030 1 369 37 37 LYS HA H 4.516 0.030 1 370 37 37 LYS HB2 H 1.890 0.030 2 371 37 37 LYS HB3 H 2.300 0.030 2 372 37 37 LYS HG2 H 1.442 0.030 2 373 37 37 LYS HG3 H 1.504 0.030 2 374 37 37 LYS HD2 H 1.703 0.030 1 375 37 37 LYS HD3 H 1.703 0.030 1 376 37 37 LYS HE2 H 2.938 0.030 2 377 37 37 LYS HE3 H 3.004 0.030 2 378 37 37 LYS C C 178.698 0.300 1 379 37 37 LYS CA C 55.977 0.300 1 380 37 37 LYS CB C 32.981 0.300 1 381 37 37 LYS CG C 25.723 0.300 1 382 37 37 LYS CD C 28.142 0.300 1 383 37 37 LYS CE C 42.478 0.300 1 384 37 37 LYS N N 116.668 0.300 1 385 38 38 LEU H H 7.882 0.030 1 386 38 38 LEU HA H 4.103 0.030 1 387 38 38 LEU HB2 H 1.688 0.030 1 388 38 38 LEU HB3 H 1.688 0.030 1 389 38 38 LEU HG H 1.621 0.030 1 390 38 38 LEU HD1 H 0.887 0.030 2 391 38 38 LEU HD2 H 0.903 0.030 2 392 38 38 LEU C C 179.042 0.300 1 393 38 38 LEU CA C 57.832 0.300 1 394 38 38 LEU CB C 41.753 0.300 1 395 38 38 LEU CG C 26.966 0.300 1 396 38 38 LEU CD1 C 24.332 0.300 1 397 38 38 LEU CD2 C 23.875 0.300 1 398 38 38 LEU N N 121.898 0.300 1 399 39 39 GLY H H 8.212 0.030 1 400 39 39 GLY HA2 H 3.720 0.030 2 401 39 39 GLY HA3 H 3.853 0.030 2 402 39 39 GLY C C 176.507 0.300 1 403 39 39 GLY CA C 47.218 0.300 1 404 39 39 GLY N N 106.042 0.300 1 405 40 40 ARG H H 7.416 0.030 1 406 40 40 ARG HA H 4.031 0.030 1 407 40 40 ARG HB2 H 1.579 0.030 2 408 40 40 ARG HB3 H 1.767 0.030 2 409 40 40 ARG HG2 H 1.261 0.030 2 410 40 40 ARG HG3 H 1.330 0.030 2 411 40 40 ARG HD2 H 2.947 0.030 2 412 40 40 ARG HD3 H 3.044 0.030 2 413 40 40 ARG C C 177.974 0.300 1 414 40 40 ARG CA C 57.460 0.300 1 415 40 40 ARG CB C 29.051 0.300 1 416 40 40 ARG CG C 26.202 0.300 1 417 40 40 ARG CD C 42.557 0.300 1 418 40 40 ARG N N 120.046 0.300 1 419 41 41 VAL H H 7.417 0.030 1 420 41 41 VAL HA H 3.285 0.030 1 421 41 41 VAL HB H 2.602 0.030 1 422 41 41 VAL HG1 H 0.887 0.030 2 423 41 41 VAL HG2 H 1.106 0.030 2 424 41 41 VAL C C 177.090 0.300 1 425 41 41 VAL CA C 66.979 0.300 1 426 41 41 VAL CB C 31.059 0.300 1 427 41 41 VAL CG1 C 20.882 0.300 1 428 41 41 VAL CG2 C 23.351 0.300 1 429 41 41 VAL N N 119.285 0.300 1 430 42 42 VAL H H 7.493 0.030 1 431 42 42 VAL HA H 3.395 0.030 1 432 42 42 VAL HB H 2.047 0.030 1 433 42 42 VAL HG1 H 0.830 0.030 2 434 42 42 VAL HG2 H 0.910 0.030 2 435 42 42 VAL C C 177.200 0.300 1 436 42 42 VAL CA C 66.764 0.300 1 437 42 42 VAL CB C 31.296 0.300 1 438 42 42 VAL CG1 C 21.483 0.300 1 439 42 42 VAL CG2 C 22.576 0.300 1 440 42 42 VAL N N 116.606 0.300 1 441 43 43 HIS H H 7.602 0.030 1 442 43 43 HIS HA H 4.264 0.030 1 443 43 43 HIS HB2 H 3.090 0.030 1 444 43 43 HIS HB3 H 3.090 0.030 1 445 43 43 HIS HD2 H 6.806 0.030 1 446 43 43 HIS HE1 H 7.662 0.030 1 447 43 43 HIS C C 178.854 0.300 1 448 43 43 HIS CA C 59.824 0.300 1 449 43 43 HIS CB C 30.605 0.300 1 450 43 43 HIS CD2 C 119.490 0.300 1 451 43 43 HIS CE1 C 138.440 0.300 1 452 43 43 HIS N N 118.867 0.300 1 453 44 44 ILE H H 8.344 0.030 1 454 44 44 ILE HA H 3.375 0.030 1 455 44 44 ILE HB H 1.840 0.030 1 456 44 44 ILE HG12 H 0.869 0.030 2 457 44 44 ILE HG13 H 1.646 0.030 2 458 44 44 ILE HG2 H 0.660 0.030 1 459 44 44 ILE HD1 H 0.428 0.030 1 460 44 44 ILE C C 178.054 0.300 1 461 44 44 ILE CA C 65.922 0.300 1 462 44 44 ILE CB C 37.950 0.300 1 463 44 44 ILE CG1 C 29.300 0.300 1 464 44 44 ILE CG2 C 16.948 0.300 1 465 44 44 ILE CD1 C 14.050 0.300 1 466 44 44 ILE N N 121.530 0.300 1 467 45 45 ILE H H 7.604 0.030 1 468 45 45 ILE HA H 3.311 0.030 1 469 45 45 ILE HB H 1.825 0.030 1 470 45 45 ILE HG12 H 1.822 0.030 2 471 45 45 ILE HG13 H 0.706 0.030 2 472 45 45 ILE HG2 H 0.740 0.030 1 473 45 45 ILE HD1 H 0.699 0.030 1 474 45 45 ILE C C 177.378 0.300 1 475 45 45 ILE CA C 66.577 0.300 1 476 45 45 ILE CB C 38.168 0.300 1 477 45 45 ILE CG1 C 29.716 0.300 1 478 45 45 ILE CG2 C 17.915 0.300 1 479 45 45 ILE CD1 C 14.407 0.300 1 480 45 45 ILE N N 117.572 0.300 1 481 46 46 GLN H H 8.626 0.030 1 482 46 46 GLN HA H 3.719 0.030 1 483 46 46 GLN HB2 H 1.891 0.030 2 484 46 46 GLN HB3 H 1.989 0.030 2 485 46 46 GLN HG2 H 2.112 0.030 2 486 46 46 GLN HG3 H 2.417 0.030 2 487 46 46 GLN HE21 H 6.474 0.030 2 488 46 46 GLN HE22 H 7.181 0.030 2 489 46 46 GLN C C 177.483 0.300 1 490 46 46 GLN CA C 59.443 0.300 1 491 46 46 GLN CB C 28.832 0.300 1 492 46 46 GLN CG C 34.987 0.300 1 493 46 46 GLN N N 115.916 0.300 1 494 46 46 GLN NE2 N 110.914 0.300 1 495 47 47 SER H H 7.862 0.030 1 496 47 47 SER HA H 4.064 0.030 1 497 47 47 SER HB2 H 3.641 0.030 2 498 47 47 SER HB3 H 3.779 0.030 2 499 47 47 SER C C 175.615 0.300 1 500 47 47 SER CA C 60.602 0.300 1 501 47 47 SER CB C 63.313 0.300 1 502 47 47 SER N N 110.902 0.300 1 503 48 48 ARG H H 7.362 0.030 1 504 48 48 ARG HA H 4.306 0.030 1 505 48 48 ARG HB2 H 1.728 0.030 2 506 48 48 ARG HB3 H 1.976 0.030 2 507 48 48 ARG HG2 H 1.598 0.030 2 508 48 48 ARG HG3 H 1.722 0.030 2 509 48 48 ARG HD2 H 2.994 0.030 1 510 48 48 ARG HD3 H 2.994 0.030 1 511 48 48 ARG C C 176.365 0.300 1 512 48 48 ARG CA C 55.992 0.300 1 513 48 48 ARG CB C 33.000 0.300 1 514 48 48 ARG CG C 27.659 0.300 1 515 48 48 ARG CD C 42.517 0.300 1 516 48 48 ARG N N 118.403 0.300 1 517 49 49 GLU H H 7.714 0.030 1 518 49 49 GLU HA H 4.806 0.030 1 519 49 49 GLU HB2 H 1.860 0.030 2 520 49 49 GLU HB3 H 1.951 0.030 2 521 49 49 GLU HG2 H 2.163 0.030 1 522 49 49 GLU HG3 H 2.163 0.030 1 523 49 49 GLU C C 174.213 0.300 1 524 49 49 GLU CA C 52.903 0.300 1 525 49 49 GLU CB C 28.835 0.300 1 526 49 49 GLU CG C 35.650 0.300 1 527 49 49 GLU N N 118.387 0.300 1 528 50 50 PRO HA H 4.273 0.030 1 529 50 50 PRO HB2 H 1.901 0.030 2 530 50 50 PRO HB3 H 2.299 0.030 2 531 50 50 PRO HG2 H 1.918 0.030 2 532 50 50 PRO HG3 H 1.995 0.030 2 533 50 50 PRO HD2 H 3.645 0.030 2 534 50 50 PRO HD3 H 3.763 0.030 2 535 50 50 PRO C C 178.412 0.300 1 536 50 50 PRO CA C 64.641 0.300 1 537 50 50 PRO CB C 32.045 0.300 1 538 50 50 PRO CG C 27.248 0.300 1 539 50 50 PRO CD C 50.661 0.300 1 540 51 51 SER H H 8.290 0.030 1 541 51 51 SER HA H 4.271 0.030 1 542 51 51 SER HB2 H 3.842 0.030 2 543 51 51 SER HB3 H 3.884 0.030 2 544 51 51 SER C C 175.130 0.300 1 545 51 51 SER CA C 59.824 0.300 1 546 51 51 SER CB C 63.071 0.300 1 547 51 51 SER N N 112.214 0.300 1 548 52 52 LEU H H 7.882 0.030 1 549 52 52 LEU HA H 4.479 0.030 1 550 52 52 LEU HB2 H 1.539 0.030 2 551 52 52 LEU HB3 H 1.587 0.030 2 552 52 52 LEU HG H 1.533 0.030 1 553 52 52 LEU HD1 H 0.752 0.030 2 554 52 52 LEU HD2 H 0.728 0.030 2 555 52 52 LEU C C 177.843 0.300 1 556 52 52 LEU CA C 54.734 0.300 1 557 52 52 LEU CB C 42.500 0.300 1 558 52 52 LEU CG C 26.700 0.300 1 559 52 52 LEU CD1 C 23.034 0.300 1 560 52 52 LEU CD2 C 25.725 0.300 1 561 52 52 LEU N N 121.800 0.300 1 562 53 53 LYS H H 7.638 0.030 1 563 53 53 LYS HA H 4.022 0.030 1 564 53 53 LYS HB2 H 1.711 0.030 2 565 53 53 LYS HB3 H 1.813 0.030 2 566 53 53 LYS HG2 H 1.336 0.030 1 567 53 53 LYS HG3 H 1.336 0.030 1 568 53 53 LYS HD2 H 1.597 0.030 1 569 53 53 LYS HD3 H 1.597 0.030 1 570 53 53 LYS HE2 H 2.895 0.030 1 571 53 53 LYS HE3 H 2.895 0.030 1 572 53 53 LYS C C 176.270 0.300 1 573 53 53 LYS CA C 58.288 0.300 1 574 53 53 LYS CB C 32.924 0.300 1 575 53 53 LYS CG C 24.390 0.300 1 576 53 53 LYS CD C 29.053 0.300 1 577 53 53 LYS CE C 42.115 0.300 1 578 53 53 LYS N N 121.559 0.300 1 579 54 54 ASN H H 8.266 0.030 1 580 54 54 ASN HA H 4.732 0.030 1 581 54 54 ASN HB2 H 2.592 0.030 2 582 54 54 ASN HB3 H 2.827 0.030 2 583 54 54 ASN HD21 H 6.853 0.030 2 584 54 54 ASN HD22 H 7.522 0.030 2 585 54 54 ASN C C 175.097 0.300 1 586 54 54 ASN CA C 53.020 0.300 1 587 54 54 ASN CB C 38.863 0.300 1 588 54 54 ASN N N 116.053 0.300 1 589 54 54 ASN ND2 N 112.735 0.300 1 590 55 55 SER H H 7.692 0.030 1 591 55 55 SER HA H 4.288 0.030 1 592 55 55 SER HB2 H 3.681 0.030 2 593 55 55 SER HB3 H 3.733 0.030 2 594 55 55 SER C C 173.418 0.300 1 595 55 55 SER CA C 58.900 0.300 1 596 55 55 SER CB C 63.914 0.300 1 597 55 55 SER N N 115.901 0.300 1 598 56 56 ASN H H 8.574 0.030 1 599 56 56 ASN HA H 4.857 0.030 1 600 56 56 ASN HB2 H 2.672 0.030 2 601 56 56 ASN HB3 H 2.827 0.030 2 602 56 56 ASN HD21 H 7.025 0.030 2 603 56 56 ASN HD22 H 7.651 0.030 2 604 56 56 ASN C C 174.843 0.300 1 605 56 56 ASN CA C 50.974 0.300 1 606 56 56 ASN CB C 38.744 0.300 1 607 56 56 ASN N N 122.245 0.300 1 608 56 56 ASN ND2 N 112.974 0.300 1 609 57 57 PRO HA H 4.079 0.030 1 610 57 57 PRO HB2 H 1.896 0.030 2 611 57 57 PRO HB3 H 2.144 0.030 2 612 57 57 PRO HG2 H 1.942 0.030 1 613 57 57 PRO HG3 H 1.942 0.030 1 614 57 57 PRO HD2 H 3.770 0.030 2 615 57 57 PRO HD3 H 3.835 0.030 2 616 57 57 PRO C C 176.856 0.300 1 617 57 57 PRO CA C 64.733 0.300 1 618 57 57 PRO CB C 31.968 0.300 1 619 57 57 PRO CG C 27.177 0.300 1 620 57 57 PRO CD C 50.782 0.300 1 621 58 58 ASP H H 8.024 0.030 1 622 58 58 ASP HA H 4.445 0.030 1 623 58 58 ASP HB2 H 2.506 0.030 2 624 58 58 ASP HB3 H 2.650 0.030 2 625 58 58 ASP C C 176.369 0.300 1 626 58 58 ASP CA C 55.247 0.300 1 627 58 58 ASP CB C 40.828 0.300 1 628 58 58 ASP N N 114.883 0.300 1 629 59 59 GLU H H 7.663 0.030 1 630 59 59 GLU HA H 4.341 0.030 1 631 59 59 GLU HB2 H 1.797 0.030 2 632 59 59 GLU HB3 H 2.057 0.030 2 633 59 59 GLU HG2 H 2.051 0.030 2 634 59 59 GLU HG3 H 2.108 0.030 2 635 59 59 GLU C C 175.690 0.300 1 636 59 59 GLU CA C 55.425 0.300 1 637 59 59 GLU CB C 31.140 0.300 1 638 59 59 GLU CG C 36.282 0.300 1 639 59 59 GLU N N 117.763 0.300 1 640 60 60 ILE H H 7.457 0.030 1 641 60 60 ILE HA H 3.962 0.030 1 642 60 60 ILE HB H 1.733 0.030 1 643 60 60 ILE HG12 H 1.022 0.030 2 644 60 60 ILE HG13 H 1.451 0.030 2 645 60 60 ILE HG2 H 0.709 0.030 1 646 60 60 ILE HD1 H 0.714 0.030 1 647 60 60 ILE C C 174.951 0.300 1 648 60 60 ILE CA C 61.416 0.300 1 649 60 60 ILE CB C 38.693 0.300 1 650 60 60 ILE CG1 C 27.617 0.300 1 651 60 60 ILE CG2 C 16.895 0.300 1 652 60 60 ILE CD1 C 13.561 0.300 1 653 60 60 ILE N N 120.600 0.300 1 654 61 61 GLU H H 8.267 0.030 1 655 61 61 GLU HA H 4.333 0.030 1 656 61 61 GLU HB2 H 1.765 0.030 2 657 61 61 GLU HB3 H 1.823 0.030 2 658 61 61 GLU HG2 H 1.999 0.030 2 659 61 61 GLU HG3 H 2.095 0.030 2 660 61 61 GLU C C 175.576 0.300 1 661 61 61 GLU CA C 55.085 0.300 1 662 61 61 GLU CB C 30.717 0.300 1 663 61 61 GLU CG C 36.120 0.300 1 664 61 61 GLU N N 126.935 0.300 1 665 62 62 ILE H H 8.425 0.030 1 666 62 62 ILE HA H 3.570 0.030 1 667 62 62 ILE HB H 1.433 0.030 1 668 62 62 ILE HG12 H 0.644 0.030 2 669 62 62 ILE HG13 H 1.378 0.030 2 670 62 62 ILE HG2 H 0.178 0.030 1 671 62 62 ILE HD1 H 0.640 0.030 1 672 62 62 ILE C C 174.594 0.300 1 673 62 62 ILE CA C 61.570 0.300 1 674 62 62 ILE CB C 38.187 0.300 1 675 62 62 ILE CG1 C 27.421 0.300 1 676 62 62 ILE CG2 C 17.372 0.300 1 677 62 62 ILE CD1 C 13.139 0.300 1 678 62 62 ILE N N 124.857 0.300 1 679 63 63 ASP H H 8.459 0.030 1 680 63 63 ASP HA H 4.691 0.030 1 681 63 63 ASP HB2 H 2.347 0.030 2 682 63 63 ASP HB3 H 2.763 0.030 2 683 63 63 ASP C C 177.284 0.300 1 684 63 63 ASP CA C 52.272 0.300 1 685 63 63 ASP CB C 41.160 0.300 1 686 63 63 ASP N N 126.597 0.300 1 687 64 64 PHE H H 8.609 0.030 1 688 64 64 PHE HA H 4.016 0.030 1 689 64 64 PHE HB2 H 3.021 0.030 2 690 64 64 PHE HB3 H 3.090 0.030 2 691 64 64 PHE HD1 H 7.057 0.030 1 692 64 64 PHE HD2 H 7.057 0.030 1 693 64 64 PHE HE1 H 7.102 0.030 1 694 64 64 PHE HE2 H 7.102 0.030 1 695 64 64 PHE HZ H 6.978 0.030 1 696 64 64 PHE C C 177.010 0.300 1 697 64 64 PHE CA C 59.795 0.300 1 698 64 64 PHE CB C 38.084 0.300 1 699 64 64 PHE CD1 C 130.570 0.300 1 700 64 64 PHE CD2 C 130.570 0.300 1 701 64 64 PHE CE1 C 131.120 0.300 1 702 64 64 PHE CE2 C 131.120 0.300 1 703 64 64 PHE CZ C 128.900 0.300 1 704 64 64 PHE N N 123.270 0.300 1 705 65 65 GLU H H 8.317 0.030 1 706 65 65 GLU HA H 4.171 0.030 1 707 65 65 GLU HB2 H 2.136 0.030 1 708 65 65 GLU HB3 H 2.136 0.030 1 709 65 65 GLU HG2 H 2.272 0.030 2 710 65 65 GLU HG3 H 2.393 0.030 2 711 65 65 GLU C C 177.913 0.300 1 712 65 65 GLU CA C 57.524 0.300 1 713 65 65 GLU CB C 29.440 0.300 1 714 65 65 GLU CG C 36.255 0.300 1 715 65 65 GLU N N 114.355 0.300 1 716 66 66 THR H H 7.388 0.030 1 717 66 66 THR HA H 4.396 0.030 1 718 66 66 THR HB H 4.320 0.030 1 719 66 66 THR HG2 H 1.065 0.030 1 720 66 66 THR C C 174.662 0.300 1 721 66 66 THR CA C 61.316 0.300 1 722 66 66 THR CB C 69.711 0.300 1 723 66 66 THR CG2 C 21.669 0.300 1 724 66 66 THR N N 106.424 0.300 1 725 67 67 LEU H H 6.677 0.030 1 726 67 67 LEU HA H 4.350 0.030 1 727 67 67 LEU HB2 H 1.213 0.030 2 728 67 67 LEU HB3 H 1.536 0.030 2 729 67 67 LEU HG H 1.827 0.030 1 730 67 67 LEU HD1 H 0.587 0.030 2 731 67 67 LEU HD2 H 0.707 0.030 2 732 67 67 LEU C C 176.647 0.300 1 733 67 67 LEU CA C 54.104 0.300 1 734 67 67 LEU CB C 43.365 0.300 1 735 67 67 LEU CG C 26.271 0.300 1 736 67 67 LEU CD1 C 25.965 0.300 1 737 67 67 LEU CD2 C 23.455 0.300 1 738 67 67 LEU N N 120.589 0.300 1 739 68 68 LYS H H 9.947 0.030 1 740 68 68 LYS HA H 4.387 0.030 1 741 68 68 LYS HB2 H 1.778 0.030 2 742 68 68 LYS HB3 H 1.982 0.030 2 743 68 68 LYS HG2 H 1.623 0.030 2 744 68 68 LYS HG3 H 1.973 0.030 2 745 68 68 LYS HD2 H 1.597 0.030 2 746 68 68 LYS HD3 H 1.712 0.030 2 747 68 68 LYS HE2 H 2.998 0.030 1 748 68 68 LYS HE3 H 2.998 0.030 1 749 68 68 LYS C C 176.786 0.300 1 750 68 68 LYS CA C 55.574 0.300 1 751 68 68 LYS CB C 31.897 0.300 1 752 68 68 LYS CG C 25.468 0.300 1 753 68 68 LYS CD C 29.600 0.300 1 754 68 68 LYS CE C 42.190 0.300 1 755 68 68 LYS N N 123.363 0.300 1 756 69 69 PRO HA H 4.091 0.030 1 757 69 69 PRO HB2 H 1.888 0.030 2 758 69 69 PRO HB3 H 2.072 0.030 2 759 69 69 PRO HG2 H 2.048 0.030 2 760 69 69 PRO HG3 H 2.194 0.030 2 761 69 69 PRO HD2 H 3.843 0.030 2 762 69 69 PRO HD3 H 3.931 0.030 2 763 69 69 PRO C C 178.646 0.300 1 764 69 69 PRO CA C 66.153 0.300 1 765 69 69 PRO CB C 31.985 0.300 1 766 69 69 PRO CG C 27.793 0.300 1 767 69 69 PRO CD C 50.342 0.300 1 768 70 70 SER H H 8.490 0.030 1 769 70 70 SER HA H 4.231 0.030 1 770 70 70 SER HB2 H 3.876 0.030 2 771 70 70 SER HB3 H 3.951 0.030 2 772 70 70 SER C C 177.784 0.300 1 773 70 70 SER CA C 60.787 0.300 1 774 70 70 SER CB C 61.797 0.300 1 775 70 70 SER N N 109.802 0.300 1 776 71 71 THR H H 7.340 0.030 1 777 71 71 THR HA H 3.735 0.030 1 778 71 71 THR HB H 4.440 0.030 1 779 71 71 THR HG2 H 1.113 0.030 1 780 71 71 THR C C 176.072 0.300 1 781 71 71 THR CA C 65.913 0.300 1 782 71 71 THR CB C 67.239 0.300 1 783 71 71 THR CG2 C 24.393 0.300 1 784 71 71 THR N N 122.295 0.300 1 785 72 72 LEU H H 7.839 0.030 1 786 72 72 LEU HA H 3.713 0.030 1 787 72 72 LEU HB2 H 1.547 0.030 2 788 72 72 LEU HB3 H 1.918 0.030 2 789 72 72 LEU HG H 1.516 0.030 1 790 72 72 LEU HD1 H 0.690 0.030 2 791 72 72 LEU HD2 H 0.845 0.030 2 792 72 72 LEU C C 178.998 0.300 1 793 72 72 LEU CA C 58.622 0.300 1 794 72 72 LEU CB C 40.911 0.300 1 795 72 72 LEU CD1 C 24.300 0.300 1 796 72 72 LEU CD2 C 26.270 0.300 1 797 72 72 LEU N N 120.539 0.300 1 798 73 73 ARG H H 8.244 0.030 1 799 73 73 ARG HA H 4.100 0.030 1 800 73 73 ARG HB2 H 1.881 0.030 2 801 73 73 ARG HB3 H 1.993 0.030 2 802 73 73 ARG HG2 H 1.697 0.030 2 803 73 73 ARG HG3 H 1.775 0.030 2 804 73 73 ARG HD2 H 3.058 0.030 2 805 73 73 ARG HD3 H 3.102 0.030 2 806 73 73 ARG HE H 7.146 0.030 1 807 73 73 ARG C C 178.935 0.300 1 808 73 73 ARG CA C 57.649 0.300 1 809 73 73 ARG CB C 28.923 0.300 1 810 73 73 ARG CG C 26.333 0.300 1 811 73 73 ARG CD C 42.718 0.300 1 812 73 73 ARG N N 115.473 0.300 1 813 73 73 ARG NE N 83.197 0.300 1 814 74 74 GLU H H 7.758 0.030 1 815 74 74 GLU HA H 4.139 0.030 1 816 74 74 GLU HB2 H 1.975 0.030 2 817 74 74 GLU HB3 H 2.058 0.030 2 818 74 74 GLU HG2 H 2.211 0.030 1 819 74 74 GLU HG3 H 2.211 0.030 1 820 74 74 GLU C C 179.640 0.300 1 821 74 74 GLU CA C 59.519 0.300 1 822 74 74 GLU CB C 28.670 0.300 1 823 74 74 GLU CG C 35.777 0.300 1 824 74 74 GLU N N 122.400 0.300 1 825 75 75 LEU H H 8.387 0.030 1 826 75 75 LEU HA H 4.070 0.030 1 827 75 75 LEU HB2 H 1.310 0.030 2 828 75 75 LEU HB3 H 2.203 0.030 2 829 75 75 LEU HG H 1.880 0.030 1 830 75 75 LEU HD1 H 0.763 0.030 2 831 75 75 LEU HD2 H 0.923 0.030 2 832 75 75 LEU C C 178.024 0.300 1 833 75 75 LEU CA C 58.147 0.300 1 834 75 75 LEU CB C 42.673 0.300 1 835 75 75 LEU CG C 26.588 0.300 1 836 75 75 LEU CD1 C 25.480 0.300 1 837 75 75 LEU CD2 C 25.000 0.300 1 838 75 75 LEU N N 119.699 0.300 1 839 76 76 GLU H H 8.537 0.030 1 840 76 76 GLU HA H 3.751 0.030 1 841 76 76 GLU HB2 H 1.855 0.030 2 842 76 76 GLU HB3 H 2.329 0.030 2 843 76 76 GLU HG2 H 2.033 0.030 2 844 76 76 GLU HG3 H 2.164 0.030 2 845 76 76 GLU C C 178.799 0.300 1 846 76 76 GLU CA C 59.871 0.300 1 847 76 76 GLU CB C 30.145 0.300 1 848 76 76 GLU CG C 35.831 0.300 1 849 76 76 GLU N N 120.074 0.300 1 850 77 77 ARG H H 8.032 0.030 1 851 77 77 ARG HA H 3.934 0.030 1 852 77 77 ARG HB2 H 1.866 0.030 2 853 77 77 ARG HB3 H 1.968 0.030 2 854 77 77 ARG HG2 H 1.542 0.030 2 855 77 77 ARG HG3 H 1.856 0.030 2 856 77 77 ARG HD2 H 3.161 0.030 2 857 77 77 ARG HD3 H 3.234 0.030 2 858 77 77 ARG C C 179.220 0.300 1 859 77 77 ARG CA C 59.974 0.300 1 860 77 77 ARG CB C 30.413 0.300 1 861 77 77 ARG CG C 27.909 0.300 1 862 77 77 ARG CD C 43.520 0.300 1 863 77 77 ARG N N 120.100 0.300 1 864 78 78 TYR H H 8.084 0.030 1 865 78 78 TYR HA H 4.260 0.030 1 866 78 78 TYR HB2 H 2.899 0.030 2 867 78 78 TYR HB3 H 3.282 0.030 2 868 78 78 TYR HD1 H 6.868 0.030 1 869 78 78 TYR HD2 H 6.868 0.030 1 870 78 78 TYR HE1 H 6.643 0.030 1 871 78 78 TYR HE2 H 6.643 0.030 1 872 78 78 TYR C C 178.620 0.300 1 873 78 78 TYR CA C 61.507 0.300 1 874 78 78 TYR CB C 38.440 0.300 1 875 78 78 TYR CD1 C 132.375 0.300 1 876 78 78 TYR CD2 C 132.375 0.300 1 877 78 78 TYR CE1 C 118.270 0.300 1 878 78 78 TYR CE2 C 118.270 0.300 1 879 78 78 TYR N N 120.327 0.300 1 880 79 79 VAL H H 9.136 0.030 1 881 79 79 VAL HA H 3.161 0.030 1 882 79 79 VAL HB H 2.062 0.030 1 883 79 79 VAL HG1 H 0.865 0.030 2 884 79 79 VAL HG2 H 1.068 0.030 2 885 79 79 VAL C C 178.067 0.300 1 886 79 79 VAL CA C 67.306 0.300 1 887 79 79 VAL CB C 31.505 0.300 1 888 79 79 VAL CG1 C 22.179 0.300 1 889 79 79 VAL CG2 C 23.546 0.300 1 890 79 79 VAL N N 120.576 0.300 1 891 80 80 THR H H 8.297 0.030 1 892 80 80 THR HA H 3.721 0.030 1 893 80 80 THR HB H 4.159 0.030 1 894 80 80 THR HG2 H 1.146 0.030 1 895 80 80 THR C C 176.623 0.300 1 896 80 80 THR CA C 66.823 0.300 1 897 80 80 THR CB C 68.508 0.300 1 898 80 80 THR CG2 C 21.825 0.300 1 899 80 80 THR N N 115.107 0.300 1 900 81 81 SER H H 7.537 0.030 1 901 81 81 SER HA H 4.165 0.030 1 902 81 81 SER HB2 H 3.948 0.030 1 903 81 81 SER HB3 H 3.948 0.030 1 904 81 81 SER C C 176.196 0.300 1 905 81 81 SER CA C 61.371 0.300 1 906 81 81 SER CB C 62.826 0.300 1 907 81 81 SER N N 116.178 0.300 1 908 82 82 CYS H H 7.523 0.030 1 909 82 82 CYS HA H 4.084 0.030 1 910 82 82 CYS HB2 H 2.366 0.030 2 911 82 82 CYS HB3 H 2.779 0.030 2 912 82 82 CYS C C 176.363 0.300 1 913 82 82 CYS CA C 62.173 0.300 1 914 82 82 CYS CB C 27.872 0.300 1 915 82 82 CYS N N 118.207 0.300 1 916 83 83 LEU H H 7.652 0.030 1 917 83 83 LEU HA H 4.216 0.030 1 918 83 83 LEU HB2 H 1.444 0.030 2 919 83 83 LEU HB3 H 1.579 0.030 2 920 83 83 LEU HG H 1.559 0.030 1 921 83 83 LEU HD1 H 0.682 0.030 2 922 83 83 LEU HD2 H 0.726 0.030 2 923 83 83 LEU C C 177.349 0.300 1 924 83 83 LEU CA C 55.521 0.300 1 925 83 83 LEU CB C 42.550 0.300 1 926 83 83 LEU CG C 26.435 0.300 1 927 83 83 LEU CD1 C 22.547 0.300 1 928 83 83 LEU CD2 C 25.725 0.300 1 929 83 83 LEU N N 118.141 0.300 1 930 84 84 ARG H H 7.754 0.030 1 931 84 84 ARG HA H 4.153 0.030 1 932 84 84 ARG HB2 H 1.784 0.030 1 933 84 84 ARG HB3 H 1.784 0.030 1 934 84 84 ARG HG2 H 1.550 0.030 1 935 84 84 ARG HG3 H 1.550 0.030 1 936 84 84 ARG HD2 H 3.104 0.030 1 937 84 84 ARG HD3 H 3.104 0.030 1 938 84 84 ARG C C 176.300 0.300 1 939 84 84 ARG CA C 56.829 0.300 1 940 84 84 ARG CB C 29.926 0.300 1 941 84 84 ARG CG C 27.316 0.300 1 942 84 84 ARG CD C 43.420 0.300 1 943 84 84 ARG N N 118.881 0.300 1 944 85 85 LYS H H 7.904 0.030 1 945 85 85 LYS HA H 4.178 0.030 1 946 85 85 LYS HB2 H 1.665 0.030 2 947 85 85 LYS HB3 H 1.743 0.030 2 948 85 85 LYS HG2 H 1.356 0.030 1 949 85 85 LYS HG3 H 1.356 0.030 1 950 85 85 LYS HD2 H 1.610 0.030 1 951 85 85 LYS HD3 H 1.610 0.030 1 952 85 85 LYS HE2 H 2.904 0.030 1 953 85 85 LYS HE3 H 2.904 0.030 1 954 85 85 LYS C C 176.549 0.300 1 955 85 85 LYS CA C 56.514 0.300 1 956 85 85 LYS CB C 32.931 0.300 1 957 85 85 LYS CG C 24.886 0.300 1 958 85 85 LYS CD C 29.073 0.300 1 959 85 85 LYS CE C 42.064 0.300 1 960 85 85 LYS N N 120.528 0.300 1 961 86 86 LYS H H 8.139 0.030 1 962 86 86 LYS HA H 4.194 0.030 1 963 86 86 LYS HB2 H 1.648 0.030 2 964 86 86 LYS HB3 H 1.751 0.030 2 965 86 86 LYS HG2 H 1.356 0.030 1 966 86 86 LYS HG3 H 1.356 0.030 1 967 86 86 LYS HD2 H 1.610 0.030 1 968 86 86 LYS HD3 H 1.610 0.030 1 969 86 86 LYS HE2 H 2.927 0.030 1 970 86 86 LYS HE3 H 2.927 0.030 1 971 86 86 LYS C C 176.395 0.300 1 972 86 86 LYS CA C 56.244 0.300 1 973 86 86 LYS CB C 32.971 0.300 1 974 86 86 LYS CG C 24.792 0.300 1 975 86 86 LYS CD C 29.173 0.300 1 976 86 86 LYS CE C 42.075 0.300 1 977 86 86 LYS N N 121.979 0.300 1 978 87 87 ARG H H 8.242 0.030 1 979 87 87 ARG HA H 4.223 0.030 1 980 87 87 ARG HB2 H 1.667 0.030 2 981 87 87 ARG HB3 H 1.734 0.030 2 982 87 87 ARG HG2 H 1.546 0.030 1 983 87 87 ARG HG3 H 1.546 0.030 1 984 87 87 ARG HD2 H 3.104 0.030 1 985 87 87 ARG HD3 H 3.104 0.030 1 986 87 87 ARG C C 175.989 0.300 1 987 87 87 ARG CA C 55.953 0.300 1 988 87 87 ARG CB C 31.019 0.300 1 989 87 87 ARG CG C 27.043 0.300 1 990 87 87 ARG CD C 43.361 0.300 1 991 87 87 ARG N N 122.606 0.300 1 992 88 88 LYS H H 8.318 0.030 1 993 88 88 LYS HA H 4.506 0.030 1 994 88 88 LYS HB2 H 1.682 0.030 2 995 88 88 LYS HB3 H 1.742 0.030 2 996 88 88 LYS HE2 H 2.925 0.030 1 997 88 88 LYS HE3 H 2.925 0.030 1 998 88 88 LYS C C 174.589 0.300 1 999 88 88 LYS CA C 54.349 0.300 1 1000 88 88 LYS CB C 32.576 0.300 1 1001 88 88 LYS N N 124.253 0.300 1 1002 89 89 PRO HA H 4.327 0.030 1 1003 89 89 PRO HB2 H 1.890 0.030 2 1004 89 89 PRO HB3 H 2.214 0.030 2 1005 89 89 PRO HG2 H 1.920 0.030 2 1006 89 89 PRO HG3 H 1.980 0.030 2 1007 89 89 PRO HD2 H 3.591 0.030 2 1008 89 89 PRO HD3 H 3.756 0.030 2 1009 89 89 PRO C C 176.044 0.300 1 1010 89 89 PRO CA C 63.489 0.300 1 1011 89 89 PRO CB C 31.921 0.300 1 1012 89 89 PRO CG C 27.391 0.300 1 1013 89 89 PRO CD C 50.722 0.300 1 1014 90 90 GLN H H 7.894 0.030 1 1015 90 90 GLN HA H 4.055 0.030 1 1016 90 90 GLN HB2 H 1.849 0.030 1 1017 90 90 GLN HB3 H 1.849 0.030 1 1018 90 90 GLN HE21 H 6.764 0.030 2 1019 90 90 GLN HE22 H 7.490 0.030 2 1020 90 90 GLN CA C 57.397 0.300 1 1021 90 90 GLN CB C 30.551 0.300 1 1022 90 90 GLN N N 124.990 0.300 1 1023 90 90 GLN NE2 N 112.144 0.300 1 stop_ save_