data_10269 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the Chromo domain of human chromodomain helicase-DNA-binding protein 4 ; _BMRB_accession_number 10269 _BMRB_flat_file_name bmr10269.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _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 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 380 "13C chemical shifts" 285 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the Chromo domain of human chromodomain helicase-DNA-binding protein 4 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Chromodomain helicase-DNA-binding protein 4' _Enzyme_commission_number E.C.3.6.1.- loop_ _Mol_system_component_name _Mol_label 'Chromo domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Chromo domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; GSSGSSGKPEWMMIHRILNH SVDKKGHVHYLIKWRDLPYD QASWESEDVEIQDYDLFKQS YWNH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 PRO 10 GLU 11 TRP 12 MET 13 MET 14 ILE 15 HIS 16 ARG 17 ILE 18 LEU 19 ASN 20 HIS 21 SER 22 VAL 23 ASP 24 LYS 25 LYS 26 GLY 27 HIS 28 VAL 29 HIS 30 TYR 31 LEU 32 ILE 33 LYS 34 TRP 35 ARG 36 ASP 37 LEU 38 PRO 39 TYR 40 ASP 41 GLN 42 ALA 43 SER 44 TRP 45 GLU 46 SER 47 GLU 48 ASP 49 VAL 50 GLU 51 ILE 52 GLN 53 ASP 54 TYR 55 ASP 56 LEU 57 PHE 58 LYS 59 GLN 60 SER 61 TYR 62 TRP 63 ASN 64 HIS 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 2EE1 "Solution Structures Of The Chromo Domain Of Human Chromodomain Helicase-Dna-Binding Protein 4" 100.00 64 100.00 100.00 1.96e-38 DBJ BAC28749 "unnamed protein product [Mus musculus]" 89.06 1045 100.00 100.00 1.68e-31 DBJ BAD90499 "mKIAA4075 protein [Mus musculus]" 89.06 1945 100.00 100.00 6.70e-32 DBJ BAE32198 "unnamed protein product [Mus musculus]" 89.06 895 100.00 100.00 2.44e-31 DBJ BAG54725 "unnamed protein product [Homo sapiens]" 89.06 1886 100.00 100.00 9.09e-32 EMBL CAA60384 "Mi-2 protein [Homo sapiens]" 89.06 1912 100.00 100.00 7.91e-32 GB AAH38596 "CHD4 protein [Homo sapiens]" 89.06 1937 100.00 100.00 7.44e-32 GB AAH58578 "Chromodomain helicase DNA binding protein 4 [Mus musculus]" 89.06 1915 100.00 100.00 7.33e-32 GB ABZ92034 "chromodomain helicase DNA binding protein 4 [synthetic construct]" 89.06 1937 100.00 100.00 7.44e-32 GB EAW88777 "chromodomain helicase DNA binding protein 4, isoform CRA_a [Homo sapiens]" 89.06 1911 100.00 100.00 8.38e-32 GB EAW88778 "chromodomain helicase DNA binding protein 4, isoform CRA_b [Homo sapiens]" 89.06 1912 100.00 100.00 7.91e-32 REF NP_001193430 "chromodomain-helicase-DNA-binding protein 4 [Bos taurus]" 89.06 1912 100.00 100.00 8.07e-32 REF NP_001264 "chromodomain-helicase-DNA-binding protein 4 isoform 1 [Homo sapiens]" 89.06 1912 100.00 100.00 7.91e-32 REF NP_001284482 "chromodomain-helicase-DNA-binding protein 4 isoform 2 [Homo sapiens]" 89.06 1905 100.00 100.00 7.82e-32 REF NP_666091 "chromodomain-helicase-DNA-binding protein 4 [Mus musculus]" 89.06 1915 100.00 100.00 7.33e-32 REF XP_001063352 "PREDICTED: chromodomain-helicase-DNA-binding protein 4 isoform X1 [Rattus norvegicus]" 89.06 1921 100.00 100.00 7.34e-32 SP Q14839 "RecName: Full=Chromodomain-helicase-DNA-binding protein 4; Short=CHD-4; AltName: Full=ATP-dependent helicase CHD4; AltName: Ful" 89.06 1912 100.00 100.00 7.91e-32 SP Q6PDQ2 "RecName: Full=Chromodomain-helicase-DNA-binding protein 4; Short=CHD-4" 89.06 1915 100.00 100.00 7.33e-32 TPG DAA29256 "TPA: chromodomain helicase DNA binding protein 4 [Bos taurus]" 89.06 1912 100.00 100.00 8.07e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P060904-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Chromo 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 6 6 SER HA H 4.447 0.030 1 2 6 6 SER HB2 H 3.875 0.030 2 3 6 6 SER C C 174.919 0.300 1 4 6 6 SER CA C 58.632 0.300 1 5 6 6 SER CB C 63.826 0.300 1 6 7 7 GLY H H 8.381 0.030 1 7 7 7 GLY HA2 H 3.956 0.030 2 8 7 7 GLY HA3 H 3.907 0.030 2 9 7 7 GLY C C 173.610 0.300 1 10 7 7 GLY CA C 45.128 0.300 1 11 7 7 GLY N N 110.672 0.300 1 12 8 8 LYS H H 7.989 0.030 1 13 8 8 LYS HA H 4.430 0.030 1 14 8 8 LYS HB2 H 1.503 0.030 2 15 8 8 LYS HB3 H 1.443 0.030 2 16 8 8 LYS HD2 H 1.438 0.030 2 17 8 8 LYS HD3 H 1.366 0.030 2 18 8 8 LYS HE2 H 2.744 0.030 2 19 8 8 LYS HE3 H 2.713 0.030 2 20 8 8 LYS HG2 H 1.178 0.030 1 21 8 8 LYS HG3 H 1.178 0.030 1 22 8 8 LYS C C 174.322 0.300 1 23 8 8 LYS CA C 53.436 0.300 1 24 8 8 LYS CB C 31.892 0.300 1 25 8 8 LYS CD C 28.360 0.300 1 26 8 8 LYS CE C 42.065 0.300 1 27 8 8 LYS CG C 24.449 0.300 1 28 8 8 LYS N N 121.270 0.300 1 29 9 9 PRO HA H 4.131 0.030 1 30 9 9 PRO HB2 H 1.910 0.030 2 31 9 9 PRO HB3 H 0.960 0.030 2 32 9 9 PRO HD2 H 3.604 0.030 2 33 9 9 PRO HD3 H 3.283 0.030 2 34 9 9 PRO HG2 H 1.778 0.030 2 35 9 9 PRO HG3 H 1.537 0.030 2 36 9 9 PRO C C 177.331 0.300 1 37 9 9 PRO CA C 62.970 0.300 1 38 9 9 PRO CB C 31.894 0.300 1 39 9 9 PRO CD C 50.294 0.300 1 40 9 9 PRO CG C 27.461 0.300 1 41 10 10 GLU H H 8.649 0.030 1 42 10 10 GLU HA H 3.960 0.030 1 43 10 10 GLU HB2 H 1.915 0.030 2 44 10 10 GLU HB3 H 1.867 0.030 2 45 10 10 GLU HG2 H 2.205 0.030 2 46 10 10 GLU HG3 H 2.163 0.030 2 47 10 10 GLU C C 175.849 0.300 1 48 10 10 GLU CA C 58.051 0.300 1 49 10 10 GLU CB C 29.627 0.300 1 50 10 10 GLU CG C 36.120 0.300 1 51 10 10 GLU N N 120.707 0.300 1 52 11 11 TRP H H 7.131 0.030 1 53 11 11 TRP HA H 4.548 0.030 1 54 11 11 TRP HB2 H 3.313 0.030 2 55 11 11 TRP HB3 H 3.146 0.030 2 56 11 11 TRP HD1 H 7.183 0.030 1 57 11 11 TRP HE1 H 10.180 0.030 1 58 11 11 TRP HE3 H 7.371 0.030 1 59 11 11 TRP HH2 H 7.105 0.030 1 60 11 11 TRP HZ2 H 7.372 0.030 1 61 11 11 TRP HZ3 H 6.827 0.030 1 62 11 11 TRP C C 176.362 0.300 1 63 11 11 TRP CA C 55.758 0.300 1 64 11 11 TRP CB C 29.285 0.300 1 65 11 11 TRP CD1 C 127.151 0.300 1 66 11 11 TRP CE3 C 121.087 0.300 1 67 11 11 TRP CH2 C 124.876 0.300 1 68 11 11 TRP CZ2 C 114.475 0.300 1 69 11 11 TRP CZ3 C 122.092 0.300 1 70 11 11 TRP N N 115.904 0.300 1 71 11 11 TRP NE1 N 130.020 0.300 1 72 12 12 MET H H 7.289 0.030 1 73 12 12 MET HA H 4.054 0.030 1 74 12 12 MET HB2 H 1.454 0.030 2 75 12 12 MET HB3 H 1.359 0.030 2 76 12 12 MET HE H 1.141 0.030 1 77 12 12 MET HG2 H 1.455 0.030 2 78 12 12 MET HG3 H 1.153 0.030 2 79 12 12 MET C C 174.357 0.300 1 80 12 12 MET CA C 55.900 0.300 1 81 12 12 MET CB C 31.808 0.300 1 82 12 12 MET CE C 15.898 0.300 1 83 12 12 MET CG C 32.253 0.300 1 84 12 12 MET N N 122.155 0.300 1 85 13 13 MET H H 8.569 0.030 1 86 13 13 MET HA H 4.890 0.030 1 87 13 13 MET HB2 H 1.960 0.030 2 88 13 13 MET HB3 H 1.824 0.030 2 89 13 13 MET HE H 2.099 0.030 1 90 13 13 MET HG2 H 2.571 0.030 2 91 13 13 MET HG3 H 2.478 0.030 2 92 13 13 MET C C 175.898 0.300 1 93 13 13 MET CA C 53.784 0.300 1 94 13 13 MET CB C 35.100 0.300 1 95 13 13 MET CE C 17.567 0.300 1 96 13 13 MET CG C 32.306 0.300 1 97 13 13 MET N N 121.084 0.300 1 98 14 14 ILE H H 9.144 0.030 1 99 14 14 ILE HA H 2.912 0.030 1 100 14 14 ILE HB H 0.650 0.030 1 101 14 14 ILE HD1 H 0.401 0.030 1 102 14 14 ILE HG12 H 1.395 0.030 2 103 14 14 ILE HG13 H 0.135 0.030 2 104 14 14 ILE HG2 H -0.436 0.030 1 105 14 14 ILE C C 174.810 0.300 1 106 14 14 ILE CA C 63.803 0.300 1 107 14 14 ILE CB C 38.974 0.300 1 108 14 14 ILE CD1 C 14.086 0.300 1 109 14 14 ILE CG1 C 27.608 0.300 1 110 14 14 ILE CG2 C 16.446 0.300 1 111 14 14 ILE N N 125.919 0.300 1 112 15 15 HIS H H 8.926 0.030 1 113 15 15 HIS HA H 4.690 0.030 1 114 15 15 HIS HB2 H 2.816 0.030 2 115 15 15 HIS HB3 H 2.418 0.030 2 116 15 15 HIS HD2 H 6.942 0.030 1 117 15 15 HIS C C 174.715 0.300 1 118 15 15 HIS CA C 55.829 0.300 1 119 15 15 HIS CB C 33.853 0.300 1 120 15 15 HIS CD2 C 116.175 0.300 1 121 15 15 HIS N N 125.470 0.300 1 122 16 16 ARG H H 7.529 0.030 1 123 16 16 ARG HA H 4.193 0.030 1 124 16 16 ARG HB2 H 1.729 0.030 2 125 16 16 ARG HB3 H 1.459 0.030 2 126 16 16 ARG HD2 H 2.986 0.030 2 127 16 16 ARG HD3 H 2.944 0.030 2 128 16 16 ARG HG2 H 1.150 0.030 2 129 16 16 ARG HG3 H 1.034 0.030 2 130 16 16 ARG C C 173.315 0.300 1 131 16 16 ARG CA C 55.329 0.300 1 132 16 16 ARG CB C 33.252 0.300 1 133 16 16 ARG CD C 43.238 0.300 1 134 16 16 ARG CG C 25.960 0.300 1 135 16 16 ARG N N 111.315 0.300 1 136 17 17 ILE H H 8.396 0.030 1 137 17 17 ILE HA H 4.052 0.030 1 138 17 17 ILE HB H 1.455 0.030 1 139 17 17 ILE HD1 H 0.248 0.030 1 140 17 17 ILE HG12 H 1.319 0.030 2 141 17 17 ILE HG13 H 0.578 0.030 2 142 17 17 ILE HG2 H 0.244 0.030 1 143 17 17 ILE C C 175.341 0.300 1 144 17 17 ILE CA C 61.859 0.300 1 145 17 17 ILE CB C 37.952 0.300 1 146 17 17 ILE CD1 C 12.652 0.300 1 147 17 17 ILE CG1 C 28.597 0.300 1 148 17 17 ILE CG2 C 17.933 0.300 1 149 17 17 ILE N N 121.157 0.300 1 150 18 18 LEU H H 9.102 0.030 1 151 18 18 LEU HA H 4.253 0.030 1 152 18 18 LEU HB2 H 1.421 0.030 2 153 18 18 LEU HB3 H 1.211 0.030 2 154 18 18 LEU HD1 H 0.530 0.030 1 155 18 18 LEU HD2 H 0.676 0.030 1 156 18 18 LEU HG H 1.332 0.030 1 157 18 18 LEU C C 176.622 0.300 1 158 18 18 LEU CA C 55.422 0.300 1 159 18 18 LEU CB C 43.410 0.300 1 160 18 18 LEU CD1 C 25.047 0.300 2 161 18 18 LEU CD2 C 22.130 0.300 2 162 18 18 LEU CG C 26.372 0.300 1 163 18 18 LEU N N 124.326 0.300 1 164 19 19 ASN H H 7.343 0.030 1 165 19 19 ASN HA H 5.227 0.030 1 166 19 19 ASN HB2 H 2.733 0.030 2 167 19 19 ASN HB3 H 2.302 0.030 2 168 19 19 ASN HD21 H 7.451 0.030 2 169 19 19 ASN HD22 H 6.992 0.030 2 170 19 19 ASN C C 172.527 0.300 1 171 19 19 ASN CA C 51.140 0.300 1 172 19 19 ASN CB C 40.795 0.300 1 173 19 19 ASN N N 113.895 0.300 1 174 19 19 ASN ND2 N 109.984 0.300 1 175 20 20 HIS H H 8.816 0.030 1 176 20 20 HIS HA H 5.875 0.030 1 177 20 20 HIS HB2 H 2.817 0.030 2 178 20 20 HIS HB3 H 2.643 0.030 2 179 20 20 HIS HD2 H 6.698 0.030 1 180 20 20 HIS HE1 H 7.953 0.030 1 181 20 20 HIS C C 173.013 0.300 1 182 20 20 HIS CA C 55.932 0.300 1 183 20 20 HIS CB C 35.190 0.300 1 184 20 20 HIS CD2 C 116.364 0.300 1 185 20 20 HIS CE1 C 138.772 0.300 1 186 20 20 HIS N N 118.537 0.300 1 187 21 21 SER H H 9.203 0.030 1 188 21 21 SER HA H 4.399 0.030 1 189 21 21 SER HB2 H 3.414 0.030 2 190 21 21 SER HB3 H 3.127 0.030 2 191 21 21 SER C C 172.382 0.300 1 192 21 21 SER CA C 57.063 0.300 1 193 21 21 SER CB C 65.417 0.300 1 194 21 21 SER N N 115.006 0.300 1 195 22 22 VAL H H 8.493 0.030 1 196 22 22 VAL HA H 4.961 0.030 1 197 22 22 VAL HB H 1.979 0.030 1 198 22 22 VAL HG1 H 1.087 0.030 1 199 22 22 VAL HG2 H 1.002 0.030 1 200 22 22 VAL C C 176.199 0.300 1 201 22 22 VAL CA C 61.066 0.300 1 202 22 22 VAL CB C 33.732 0.300 1 203 22 22 VAL CG1 C 21.387 0.300 2 204 22 22 VAL CG2 C 20.885 0.300 2 205 22 22 VAL N N 124.080 0.300 1 206 23 23 ASP H H 8.667 0.030 1 207 23 23 ASP HA H 4.688 0.030 1 208 23 23 ASP HB2 H 3.354 0.030 2 209 23 23 ASP HB3 H 2.695 0.030 2 210 23 23 ASP C C 178.629 0.300 1 211 23 23 ASP CA C 52.814 0.300 1 212 23 23 ASP CB C 41.525 0.300 1 213 23 23 ASP N N 127.673 0.300 1 214 24 24 LYS H H 8.242 0.030 1 215 24 24 LYS HA H 4.077 0.030 1 216 24 24 LYS HB2 H 1.858 0.030 1 217 24 24 LYS HB3 H 1.858 0.030 1 218 24 24 LYS HD2 H 1.652 0.030 1 219 24 24 LYS HD3 H 1.652 0.030 1 220 24 24 LYS HE2 H 2.944 0.030 1 221 24 24 LYS HE3 H 2.944 0.030 1 222 24 24 LYS HG2 H 1.464 0.030 1 223 24 24 LYS HG3 H 1.464 0.030 1 224 24 24 LYS C C 177.637 0.300 1 225 24 24 LYS CA C 58.419 0.300 1 226 24 24 LYS CB C 32.057 0.300 1 227 24 24 LYS CD C 28.931 0.300 1 228 24 24 LYS CE C 42.113 0.300 1 229 24 24 LYS CG C 24.956 0.300 1 230 24 24 LYS N N 116.378 0.300 1 231 25 25 LYS H H 8.128 0.030 1 232 25 25 LYS HA H 4.379 0.030 1 233 25 25 LYS HB2 H 1.894 0.030 2 234 25 25 LYS HB3 H 1.776 0.030 2 235 25 25 LYS HD2 H 1.645 0.030 1 236 25 25 LYS HD3 H 1.645 0.030 1 237 25 25 LYS HE2 H 2.941 0.030 1 238 25 25 LYS HE3 H 2.941 0.030 1 239 25 25 LYS HG2 H 1.395 0.030 2 240 25 25 LYS HG3 H 1.345 0.030 2 241 25 25 LYS C C 176.600 0.300 1 242 25 25 LYS CA C 55.411 0.300 1 243 25 25 LYS CB C 32.516 0.300 1 244 25 25 LYS CD C 28.927 0.300 1 245 25 25 LYS CE C 42.037 0.300 1 246 25 25 LYS CG C 25.248 0.300 1 247 25 25 LYS N N 118.184 0.300 1 248 26 26 GLY H H 8.040 0.030 1 249 26 26 GLY HA2 H 4.125 0.030 2 250 26 26 GLY HA3 H 3.428 0.030 2 251 26 26 GLY C C 174.048 0.300 1 252 26 26 GLY CA C 45.235 0.300 1 253 26 26 GLY N N 108.208 0.300 1 254 27 27 HIS H H 8.599 0.030 1 255 27 27 HIS HA H 4.491 0.030 1 256 27 27 HIS HB2 H 3.280 0.030 1 257 27 27 HIS HB3 H 3.280 0.030 1 258 27 27 HIS HD2 H 6.853 0.030 1 259 27 27 HIS C C 174.516 0.300 1 260 27 27 HIS CA C 55.935 0.300 1 261 27 27 HIS CB C 29.257 0.300 1 262 27 27 HIS CD2 C 122.434 0.300 1 263 27 27 HIS N N 123.031 0.300 1 264 28 28 VAL H H 8.330 0.030 1 265 28 28 VAL HA H 4.776 0.030 1 266 28 28 VAL HB H 1.616 0.030 1 267 28 28 VAL HG1 H 0.974 0.030 1 268 28 28 VAL HG2 H 0.562 0.030 1 269 28 28 VAL C C 174.798 0.300 1 270 28 28 VAL CA C 62.070 0.300 1 271 28 28 VAL CB C 32.965 0.300 1 272 28 28 VAL CG1 C 22.412 0.300 2 273 28 28 VAL CG2 C 21.649 0.300 2 274 28 28 VAL N N 127.641 0.300 1 275 29 29 HIS H H 8.887 0.030 1 276 29 29 HIS HA H 5.071 0.030 1 277 29 29 HIS HB2 H 2.944 0.030 2 278 29 29 HIS HB3 H 2.848 0.030 2 279 29 29 HIS HD2 H 6.789 0.030 1 280 29 29 HIS HE1 H 7.791 0.030 1 281 29 29 HIS C C 173.998 0.300 1 282 29 29 HIS CA C 54.841 0.300 1 283 29 29 HIS CB C 33.921 0.300 1 284 29 29 HIS CD2 C 120.245 0.300 1 285 29 29 HIS CE1 C 137.943 0.300 1 286 29 29 HIS N N 124.946 0.300 1 287 30 30 TYR H H 9.630 0.030 1 288 30 30 TYR HA H 5.092 0.030 1 289 30 30 TYR HB2 H 2.863 0.030 2 290 30 30 TYR HB3 H 2.671 0.030 2 291 30 30 TYR HD1 H 6.968 0.030 1 292 30 30 TYR HD2 H 6.968 0.030 1 293 30 30 TYR HE1 H 6.503 0.030 1 294 30 30 TYR HE2 H 6.503 0.030 1 295 30 30 TYR C C 173.451 0.300 1 296 30 30 TYR CA C 57.627 0.300 1 297 30 30 TYR CB C 41.124 0.300 1 298 30 30 TYR CD1 C 133.274 0.300 1 299 30 30 TYR CD2 C 133.274 0.300 1 300 30 30 TYR CE1 C 116.851 0.300 1 301 30 30 TYR CE2 C 116.851 0.300 1 302 30 30 TYR N N 119.246 0.300 1 303 31 31 LEU H H 7.804 0.030 1 304 31 31 LEU HA H 3.561 0.030 1 305 31 31 LEU HB2 H 0.657 0.030 2 306 31 31 LEU HB3 H -1.658 0.030 2 307 31 31 LEU HD1 H 0.341 0.030 1 308 31 31 LEU HD2 H -0.623 0.030 1 309 31 31 LEU HG H 0.519 0.030 1 310 31 31 LEU C C 173.742 0.300 1 311 31 31 LEU CA C 53.120 0.300 1 312 31 31 LEU CB C 39.479 0.300 1 313 31 31 LEU CD1 C 25.433 0.300 2 314 31 31 LEU CD2 C 19.751 0.300 2 315 31 31 LEU CG C 26.143 0.300 1 316 31 31 LEU N N 125.982 0.300 1 317 32 32 ILE H H 8.861 0.030 1 318 32 32 ILE HA H 3.402 0.030 1 319 32 32 ILE HB H 1.066 0.030 1 320 32 32 ILE HD1 H 0.244 0.030 1 321 32 32 ILE HG12 H 1.133 0.030 2 322 32 32 ILE HG13 H 0.497 0.030 2 323 32 32 ILE HG2 H -1.137 0.030 1 324 32 32 ILE C C 173.769 0.300 1 325 32 32 ILE CA C 61.356 0.300 1 326 32 32 ILE CB C 39.405 0.300 1 327 32 32 ILE CD1 C 12.668 0.300 1 328 32 32 ILE CG1 C 27.649 0.300 1 329 32 32 ILE CG2 C 16.400 0.300 1 330 32 32 ILE N N 129.827 0.300 1 331 33 33 LYS H H 7.951 0.030 1 332 33 33 LYS HA H 4.111 0.030 1 333 33 33 LYS HB2 H 1.732 0.030 2 334 33 33 LYS HB3 H 1.302 0.030 2 335 33 33 LYS HD2 H 1.322 0.030 2 336 33 33 LYS HD3 H 1.273 0.030 2 337 33 33 LYS HE2 H 2.737 0.030 2 338 33 33 LYS HE3 H 2.668 0.030 2 339 33 33 LYS HG2 H 1.194 0.030 1 340 33 33 LYS HG3 H 1.194 0.030 1 341 33 33 LYS C C 174.920 0.300 1 342 33 33 LYS CA C 54.849 0.300 1 343 33 33 LYS CB C 33.162 0.300 1 344 33 33 LYS CD C 29.140 0.300 1 345 33 33 LYS CE C 42.656 0.300 1 346 33 33 LYS CG C 26.125 0.300 1 347 33 33 LYS N N 124.612 0.300 1 348 34 34 TRP H H 8.145 0.030 1 349 34 34 TRP HA H 4.690 0.030 1 350 34 34 TRP HB2 H 3.446 0.030 2 351 34 34 TRP HB3 H 2.851 0.030 2 352 34 34 TRP HD1 H 7.208 0.030 1 353 34 34 TRP HE1 H 10.514 0.030 1 354 34 34 TRP HE3 H 7.171 0.030 1 355 34 34 TRP HH2 H 6.666 0.030 1 356 34 34 TRP HZ2 H 7.246 0.030 1 357 34 34 TRP HZ3 H 6.482 0.030 1 358 34 34 TRP C C 177.144 0.300 1 359 34 34 TRP CA C 55.582 0.300 1 360 34 34 TRP CB C 30.832 0.300 1 361 34 34 TRP CD1 C 128.077 0.300 1 362 34 34 TRP CE3 C 120.604 0.300 1 363 34 34 TRP CH2 C 123.495 0.300 1 364 34 34 TRP CZ2 C 113.821 0.300 1 365 34 34 TRP CZ3 C 120.880 0.300 1 366 34 34 TRP N N 132.766 0.300 1 367 34 34 TRP NE1 N 130.136 0.300 1 368 35 35 ARG H H 9.199 0.030 1 369 35 35 ARG HA H 3.742 0.030 1 370 35 35 ARG HB2 H 1.706 0.030 2 371 35 35 ARG HB3 H 1.569 0.030 2 372 35 35 ARG HD2 H 3.043 0.030 1 373 35 35 ARG HD3 H 3.043 0.030 1 374 35 35 ARG HG2 H 1.375 0.030 2 375 35 35 ARG HG3 H 1.306 0.030 2 376 35 35 ARG C C 176.307 0.300 1 377 35 35 ARG CA C 58.738 0.300 1 378 35 35 ARG CB C 30.254 0.300 1 379 35 35 ARG CD C 43.349 0.300 1 380 35 35 ARG CG C 26.951 0.300 1 381 35 35 ARG N N 124.433 0.300 1 382 36 36 ASP H H 8.812 0.030 1 383 36 36 ASP HA H 4.294 0.030 1 384 36 36 ASP HB2 H 2.903 0.030 2 385 36 36 ASP HB3 H 2.806 0.030 2 386 36 36 ASP C C 174.269 0.300 1 387 36 36 ASP CA C 55.948 0.300 1 388 36 36 ASP CB C 39.960 0.300 1 389 36 36 ASP N N 115.622 0.300 1 390 37 37 LEU H H 7.372 0.030 1 391 37 37 LEU HA H 4.966 0.030 1 392 37 37 LEU HB2 H 1.711 0.030 2 393 37 37 LEU HB3 H 1.346 0.030 2 394 37 37 LEU HD1 H 0.812 0.030 1 395 37 37 LEU HD2 H 0.909 0.030 1 396 37 37 LEU HG H 1.586 0.030 1 397 37 37 LEU C C 174.638 0.300 1 398 37 37 LEU CA C 51.968 0.300 1 399 37 37 LEU CB C 44.421 0.300 1 400 37 37 LEU CD1 C 25.483 0.300 2 401 37 37 LEU CD2 C 23.199 0.300 2 402 37 37 LEU CG C 27.043 0.300 1 403 37 37 LEU N N 119.137 0.300 1 404 38 38 PRO HA H 4.559 0.030 1 405 38 38 PRO HB2 H 2.442 0.030 2 406 38 38 PRO HB3 H 2.171 0.030 2 407 38 38 PRO HD2 H 3.812 0.030 2 408 38 38 PRO HD3 H 3.444 0.030 2 409 38 38 PRO HG2 H 2.048 0.030 2 410 38 38 PRO HG3 H 1.990 0.030 2 411 38 38 PRO C C 178.256 0.300 1 412 38 38 PRO CA C 62.332 0.300 1 413 38 38 PRO CB C 33.232 0.300 1 414 38 38 PRO CD C 50.632 0.300 1 415 38 38 PRO CG C 27.804 0.300 1 416 39 39 TYR H H 8.933 0.030 1 417 39 39 TYR HA H 3.758 0.030 1 418 39 39 TYR HB2 H 3.030 0.030 2 419 39 39 TYR HB3 H 2.949 0.030 2 420 39 39 TYR HD1 H 7.062 0.030 1 421 39 39 TYR HD2 H 7.062 0.030 1 422 39 39 TYR HE1 H 6.722 0.030 1 423 39 39 TYR HE2 H 6.722 0.030 1 424 39 39 TYR C C 177.241 0.300 1 425 39 39 TYR CA C 62.934 0.300 1 426 39 39 TYR CB C 38.451 0.300 1 427 39 39 TYR CD1 C 132.901 0.300 1 428 39 39 TYR CD2 C 132.901 0.300 1 429 39 39 TYR CE1 C 118.389 0.300 1 430 39 39 TYR CE2 C 118.389 0.300 1 431 39 39 TYR N N 122.113 0.300 1 432 40 40 ASP H H 8.439 0.030 1 433 40 40 ASP HA H 4.407 0.030 1 434 40 40 ASP HB2 H 2.844 0.030 2 435 40 40 ASP HB3 H 2.632 0.030 2 436 40 40 ASP C C 176.645 0.300 1 437 40 40 ASP CA C 55.335 0.300 1 438 40 40 ASP CB C 39.476 0.300 1 439 40 40 ASP N N 115.019 0.300 1 440 41 41 GLN H H 7.761 0.030 1 441 41 41 GLN HA H 4.457 0.030 1 442 41 41 GLN HB2 H 2.558 0.030 2 443 41 41 GLN HB3 H 1.701 0.030 2 444 41 41 GLN HE21 H 7.760 0.030 2 445 41 41 GLN HE22 H 6.753 0.030 2 446 41 41 GLN HG2 H 2.314 0.030 1 447 41 41 GLN HG3 H 2.314 0.030 1 448 41 41 GLN C C 175.665 0.300 1 449 41 41 GLN CA C 55.031 0.300 1 450 41 41 GLN CB C 29.606 0.300 1 451 41 41 GLN CG C 34.449 0.300 1 452 41 41 GLN N N 117.630 0.300 1 453 41 41 GLN NE2 N 112.841 0.300 1 454 42 42 ALA H H 7.379 0.030 1 455 42 42 ALA HA H 4.776 0.030 1 456 42 42 ALA HB H 0.908 0.030 1 457 42 42 ALA C C 177.103 0.300 1 458 42 42 ALA CA C 53.572 0.300 1 459 42 42 ALA CB C 18.951 0.300 1 460 42 42 ALA N N 123.425 0.300 1 461 43 43 SER H H 8.521 0.030 1 462 43 43 SER HA H 4.861 0.030 1 463 43 43 SER HB2 H 4.202 0.030 2 464 43 43 SER HB3 H 3.846 0.030 2 465 43 43 SER C C 172.947 0.300 1 466 43 43 SER CA C 56.852 0.300 1 467 43 43 SER CB C 66.734 0.300 1 468 43 43 SER N N 115.967 0.300 1 469 44 44 TRP H H 8.699 0.030 1 470 44 44 TRP HA H 5.081 0.030 1 471 44 44 TRP HB2 H 3.033 0.030 2 472 44 44 TRP HB3 H 2.866 0.030 2 473 44 44 TRP HD1 H 7.258 0.030 1 474 44 44 TRP HE1 H 10.186 0.030 1 475 44 44 TRP HE3 H 6.628 0.030 1 476 44 44 TRP HH2 H 6.630 0.030 1 477 44 44 TRP HZ2 H 7.366 0.030 1 478 44 44 TRP HZ3 H 7.020 0.030 1 479 44 44 TRP C C 177.207 0.300 1 480 44 44 TRP CA C 56.648 0.300 1 481 44 44 TRP CB C 29.592 0.300 1 482 44 44 TRP CD1 C 127.735 0.300 1 483 44 44 TRP CE3 C 122.256 0.300 1 484 44 44 TRP CH2 C 122.666 0.300 1 485 44 44 TRP CZ2 C 115.195 0.300 1 486 44 44 TRP CZ3 C 119.695 0.300 1 487 44 44 TRP N N 123.015 0.300 1 488 44 44 TRP NE1 N 130.168 0.300 1 489 45 45 GLU H H 9.773 0.030 1 490 45 45 GLU HA H 5.156 0.030 1 491 45 45 GLU HB2 H 2.291 0.030 2 492 45 45 GLU HB3 H 1.736 0.030 2 493 45 45 GLU HG2 H 2.435 0.030 2 494 45 45 GLU HG3 H 2.263 0.030 2 495 45 45 GLU C C 176.249 0.300 1 496 45 45 GLU CA C 53.378 0.300 1 497 45 45 GLU CB C 31.950 0.300 1 498 45 45 GLU CG C 34.985 0.300 1 499 45 45 GLU N N 122.799 0.300 1 500 46 46 SER H H 9.121 0.030 1 501 46 46 SER HA H 4.106 0.030 1 502 46 46 SER HB2 H 4.119 0.030 2 503 46 46 SER HB3 H 3.884 0.030 2 504 46 46 SER C C 178.218 0.300 1 505 46 46 SER CA C 58.791 0.300 1 506 46 46 SER CB C 63.100 0.300 1 507 46 46 SER N N 116.892 0.300 1 508 47 47 GLU H H 8.588 0.030 1 509 47 47 GLU HA H 4.327 0.030 1 510 47 47 GLU HB2 H 2.189 0.030 2 511 47 47 GLU HB3 H 2.104 0.030 2 512 47 47 GLU HG2 H 2.290 0.030 2 513 47 47 GLU HG3 H 2.112 0.030 2 514 47 47 GLU C C 174.707 0.300 1 515 47 47 GLU CA C 58.693 0.300 1 516 47 47 GLU CB C 29.990 0.300 1 517 47 47 GLU CG C 34.620 0.300 1 518 47 47 GLU N N 125.534 0.300 1 519 48 48 ASP H H 8.415 0.030 1 520 48 48 ASP HA H 4.847 0.030 1 521 48 48 ASP HB2 H 2.829 0.030 2 522 48 48 ASP HB3 H 2.616 0.030 2 523 48 48 ASP C C 176.853 0.300 1 524 48 48 ASP CA C 54.472 0.300 1 525 48 48 ASP CB C 41.795 0.300 1 526 48 48 ASP N N 117.812 0.300 1 527 49 49 VAL H H 7.192 0.030 1 528 49 49 VAL HA H 4.137 0.030 1 529 49 49 VAL HB H 2.146 0.030 1 530 49 49 VAL HG1 H 1.089 0.030 1 531 49 49 VAL HG2 H 1.206 0.030 1 532 49 49 VAL C C 175.326 0.300 1 533 49 49 VAL CA C 62.987 0.300 1 534 49 49 VAL CB C 32.759 0.300 1 535 49 49 VAL CG1 C 21.942 0.300 2 536 49 49 VAL CG2 C 21.485 0.300 2 537 49 49 VAL N N 118.329 0.300 1 538 50 50 GLU H H 8.417 0.030 1 539 50 50 GLU HA H 4.526 0.030 1 540 50 50 GLU HB2 H 2.006 0.030 2 541 50 50 GLU HB3 H 1.949 0.030 2 542 50 50 GLU HG2 H 2.285 0.030 2 543 50 50 GLU HG3 H 2.189 0.030 2 544 50 50 GLU C C 175.395 0.300 1 545 50 50 GLU CA C 56.376 0.300 1 546 50 50 GLU CB C 29.216 0.300 1 547 50 50 GLU CG C 36.229 0.300 1 548 50 50 GLU N N 124.475 0.300 1 549 51 51 ILE H H 7.483 0.030 1 550 51 51 ILE HA H 4.068 0.030 1 551 51 51 ILE HB H 0.819 0.030 1 552 51 51 ILE HD1 H -0.032 0.030 1 553 51 51 ILE HG12 H 1.063 0.030 2 554 51 51 ILE HG13 H 0.550 0.030 2 555 51 51 ILE HG2 H 0.892 0.030 1 556 51 51 ILE C C 175.838 0.300 1 557 51 51 ILE CA C 60.572 0.300 1 558 51 51 ILE CB C 41.701 0.300 1 559 51 51 ILE CD1 C 13.256 0.300 1 560 51 51 ILE CG1 C 27.554 0.300 1 561 51 51 ILE CG2 C 18.103 0.300 1 562 51 51 ILE N N 125.565 0.300 1 563 52 52 GLN H H 9.055 0.030 1 564 52 52 GLN HA H 4.042 0.030 1 565 52 52 GLN HB2 H 2.154 0.030 2 566 52 52 GLN HB3 H 2.015 0.030 2 567 52 52 GLN HE21 H 7.615 0.030 2 568 52 52 GLN HE22 H 6.876 0.030 2 569 52 52 GLN HG2 H 2.355 0.030 1 570 52 52 GLN HG3 H 2.355 0.030 1 571 52 52 GLN C C 176.011 0.300 1 572 52 52 GLN CA C 58.264 0.300 1 573 52 52 GLN CB C 28.458 0.300 1 574 52 52 GLN CG C 33.551 0.300 1 575 52 52 GLN N N 130.354 0.300 1 576 52 52 GLN NE2 N 113.203 0.300 1 577 53 53 ASP H H 9.244 0.030 1 578 53 53 ASP HA H 4.529 0.030 1 579 53 53 ASP HB2 H 3.254 0.030 2 580 53 53 ASP HB3 H 3.210 0.030 2 581 53 53 ASP C C 176.419 0.300 1 582 53 53 ASP CA C 56.605 0.300 1 583 53 53 ASP CB C 39.788 0.300 1 584 53 53 ASP N N 119.289 0.300 1 585 54 54 TYR H H 7.920 0.030 1 586 54 54 TYR HA H 4.388 0.030 1 587 54 54 TYR HB2 H 3.666 0.030 2 588 54 54 TYR HB3 H 3.508 0.030 2 589 54 54 TYR HD1 H 7.251 0.030 1 590 54 54 TYR HD2 H 7.251 0.030 1 591 54 54 TYR HE1 H 6.594 0.030 1 592 54 54 TYR HE2 H 6.594 0.030 1 593 54 54 TYR C C 178.807 0.300 1 594 54 54 TYR CA C 57.557 0.300 1 595 54 54 TYR CB C 37.745 0.300 1 596 54 54 TYR CD1 C 131.193 0.300 1 597 54 54 TYR CD2 C 131.193 0.300 1 598 54 54 TYR CE1 C 118.061 0.300 1 599 54 54 TYR CE2 C 118.061 0.300 1 600 54 54 TYR N N 120.852 0.300 1 601 55 55 ASP H H 8.942 0.030 1 602 55 55 ASP HA H 4.155 0.030 1 603 55 55 ASP HB2 H 2.633 0.030 1 604 55 55 ASP HB3 H 2.633 0.030 1 605 55 55 ASP C C 178.492 0.300 1 606 55 55 ASP CA C 57.839 0.300 1 607 55 55 ASP CB C 39.955 0.300 1 608 55 55 ASP N N 114.884 0.300 1 609 56 56 LEU H H 7.585 0.030 1 610 56 56 LEU HA H 3.968 0.030 1 611 56 56 LEU HB2 H 1.620 0.030 2 612 56 56 LEU HB3 H 1.389 0.030 2 613 56 56 LEU HD1 H 0.736 0.030 1 614 56 56 LEU HD2 H 0.609 0.030 1 615 56 56 LEU HG H 1.433 0.030 1 616 56 56 LEU C C 180.237 0.300 1 617 56 56 LEU CA C 57.892 0.300 1 618 56 56 LEU CB C 41.204 0.300 1 619 56 56 LEU CD1 C 24.784 0.300 2 620 56 56 LEU CD2 C 23.126 0.300 2 621 56 56 LEU CG C 26.713 0.300 1 622 56 56 LEU N N 121.328 0.300 1 623 57 57 PHE H H 7.735 0.030 1 624 57 57 PHE HA H 4.182 0.030 1 625 57 57 PHE HB2 H 2.959 0.030 2 626 57 57 PHE HB3 H 2.874 0.030 2 627 57 57 PHE HD1 H 7.387 0.030 1 628 57 57 PHE HD2 H 7.387 0.030 1 629 57 57 PHE HE1 H 7.361 0.030 1 630 57 57 PHE HE2 H 7.361 0.030 1 631 57 57 PHE HZ H 7.316 0.030 1 632 57 57 PHE C C 179.437 0.300 1 633 57 57 PHE CA C 62.756 0.300 1 634 57 57 PHE CB C 38.803 0.300 1 635 57 57 PHE CD1 C 131.761 0.300 1 636 57 57 PHE CD2 C 131.761 0.300 1 637 57 57 PHE CE1 C 131.833 0.300 1 638 57 57 PHE CE2 C 131.833 0.300 1 639 57 57 PHE CZ C 131.336 0.300 1 640 57 57 PHE N N 118.200 0.300 1 641 58 58 LYS H H 8.834 0.030 1 642 58 58 LYS HA H 3.515 0.030 1 643 58 58 LYS HB2 H 1.860 0.030 2 644 58 58 LYS HB3 H 1.801 0.030 2 645 58 58 LYS HD2 H 1.357 0.030 2 646 58 58 LYS HD3 H 1.220 0.030 2 647 58 58 LYS HE2 H 2.010 0.030 2 648 58 58 LYS HE3 H 1.184 0.030 2 649 58 58 LYS HG2 H 1.023 0.030 2 650 58 58 LYS HG3 H 0.244 0.030 2 651 58 58 LYS C C 177.565 0.300 1 652 58 58 LYS CA C 60.851 0.300 1 653 58 58 LYS CB C 33.102 0.300 1 654 58 58 LYS CD C 30.793 0.300 1 655 58 58 LYS CE C 40.403 0.300 1 656 58 58 LYS CG C 25.272 0.300 1 657 58 58 LYS N N 123.283 0.300 1 658 59 59 GLN H H 7.955 0.030 1 659 59 59 GLN HA H 4.104 0.030 1 660 59 59 GLN HB2 H 2.136 0.030 1 661 59 59 GLN HB3 H 2.136 0.030 1 662 59 59 GLN HE21 H 7.476 0.030 2 663 59 59 GLN HE22 H 6.795 0.030 2 664 59 59 GLN HG2 H 2.496 0.030 2 665 59 59 GLN HG3 H 2.385 0.030 2 666 59 59 GLN C C 178.948 0.300 1 667 59 59 GLN CA C 59.249 0.300 1 668 59 59 GLN CB C 28.185 0.300 1 669 59 59 GLN CG C 33.979 0.300 1 670 59 59 GLN N N 117.353 0.300 1 671 59 59 GLN NE2 N 111.771 0.300 1 672 60 60 SER H H 7.821 0.030 1 673 60 60 SER HA H 4.233 0.030 1 674 60 60 SER HB2 H 3.926 0.030 2 675 60 60 SER HB3 H 3.883 0.030 2 676 60 60 SER C C 176.403 0.300 1 677 60 60 SER CA C 60.954 0.300 1 678 60 60 SER CB C 63.007 0.300 1 679 60 60 SER N N 112.660 0.300 1 680 61 61 TYR H H 7.858 0.030 1 681 61 61 TYR HA H 4.084 0.030 1 682 61 61 TYR HB2 H 2.909 0.030 2 683 61 61 TYR HB3 H 2.802 0.030 2 684 61 61 TYR C C 177.358 0.300 1 685 61 61 TYR CA C 61.217 0.300 1 686 61 61 TYR CB C 38.470 0.300 1 687 61 61 TYR CD1 C 135.210 0.300 1 688 61 61 TYR CD2 C 135.210 0.300 1 689 61 61 TYR N N 122.550 0.300 1 690 62 62 TRP H H 7.754 0.030 1 691 62 62 TRP HA H 4.273 0.030 1 692 62 62 TRP HB2 H 3.258 0.030 2 693 62 62 TRP HB3 H 2.898 0.030 2 694 62 62 TRP HD1 H 7.345 0.030 1 695 62 62 TRP HE1 H 10.659 0.030 1 696 62 62 TRP HE3 H 7.576 0.030 1 697 62 62 TRP HH2 H 6.020 0.030 1 698 62 62 TRP HZ2 H 7.106 0.030 1 699 62 62 TRP HZ3 H 6.917 0.030 1 700 62 62 TRP C C 176.694 0.300 1 701 62 62 TRP CA C 58.061 0.300 1 702 62 62 TRP CB C 30.047 0.300 1 703 62 62 TRP CD1 C 129.026 0.300 1 704 62 62 TRP CE3 C 120.872 0.300 1 705 62 62 TRP CH2 C 123.916 0.300 1 706 62 62 TRP CZ2 C 113.434 0.300 1 707 62 62 TRP CZ3 C 121.599 0.300 1 708 62 62 TRP N N 116.320 0.300 1 709 62 62 TRP NE1 N 127.952 0.300 1 710 63 63 ASN H H 7.800 0.030 1 711 63 63 ASN HA H 4.688 0.030 1 712 63 63 ASN HB2 H 2.842 0.030 2 713 63 63 ASN HB3 H 2.752 0.030 2 714 63 63 ASN HD21 H 7.601 0.030 2 715 63 63 ASN HD22 H 6.873 0.030 2 716 63 63 ASN C C 174.055 0.300 1 717 63 63 ASN CA C 53.484 0.300 1 718 63 63 ASN CB C 38.645 0.300 1 719 63 63 ASN N N 117.543 0.300 1 720 63 63 ASN ND2 N 112.718 0.300 1 721 64 64 HIS H H 7.732 0.030 1 722 64 64 HIS HA H 4.396 0.030 1 723 64 64 HIS HB2 H 3.183 0.030 2 724 64 64 HIS HB3 H 3.078 0.030 2 725 64 64 HIS HD2 H 7.055 0.030 1 726 64 64 HIS C C 179.203 0.300 1 727 64 64 HIS CA C 57.398 0.300 1 728 64 64 HIS CB C 30.081 0.300 1 729 64 64 HIS CD2 C 120.088 0.300 1 730 64 64 HIS N N 123.554 0.300 1 stop_ save_