data_11402 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of chromo domain 2 in Chromodomain-helicase-DNA-binding protein 6 ; _BMRB_accession_number 11402 _BMRB_flat_file_name bmr11402.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Tsuda K. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 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" 371 "13C chemical shifts" 287 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of chromo domain 2 in Chromodomain-helicase-DNA-binding protein 6 ; _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 Tsuda K. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 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 6' _Enzyme_commission_number E.C.3.6.1.- loop_ _Mol_system_component_name _Mol_label 'Chromo domain, UNP residues 371-431' $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, UNP residues 371-431' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GSSGSSGNPDYVEVDRILEV AHTKDAETGEEVTHYLVKWC SLPYEESTWELEEDVDPAKV KEFESLQV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 PRO 10 ASP 11 TYR 12 VAL 13 GLU 14 VAL 15 ASP 16 ARG 17 ILE 18 LEU 19 GLU 20 VAL 21 ALA 22 HIS 23 THR 24 LYS 25 ASP 26 ALA 27 GLU 28 THR 29 GLY 30 GLU 31 GLU 32 VAL 33 THR 34 HIS 35 TYR 36 LEU 37 VAL 38 LYS 39 TRP 40 CYS 41 SER 42 LEU 43 PRO 44 TYR 45 GLU 46 GLU 47 SER 48 THR 49 TRP 50 GLU 51 LEU 52 GLU 53 GLU 54 ASP 55 VAL 56 ASP 57 PRO 58 ALA 59 LYS 60 VAL 61 LYS 62 GLU 63 PHE 64 GLU 65 SER 66 LEU 67 GLN 68 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2EPB "Solution Structure Of Chromo Domain 2 In Chromodomain- Helicase-Dna-Binding Protein 6" 100.00 68 100.00 100.00 3.31e-40 DBJ BAG59500 "unnamed protein product [Homo sapiens]" 89.71 1014 100.00 100.00 2.70e-32 GB AAI72397 "Chromodomain helicase DNA binding protein 6 [synthetic construct]" 89.71 2715 100.00 100.00 6.12e-32 GB AAK56405 "chromodomain helicase DNA binding protein 5 [Homo sapiens]" 89.71 2713 100.00 100.00 6.18e-32 GB AAN59903 "RIGB [Homo sapiens]" 89.71 488 100.00 100.00 2.73e-32 GB EAW75974 "chromodomain helicase DNA binding protein 6, isoform CRA_a [Homo sapiens]" 89.71 952 100.00 100.00 3.11e-32 GB EAW75975 "chromodomain helicase DNA binding protein 6, isoform CRA_b [Homo sapiens]" 89.71 2715 100.00 100.00 6.12e-32 REF NP_001230229 "chromodomain-helicase-DNA-binding protein 6 [Bos taurus]" 89.71 2721 100.00 100.00 7.50e-32 REF NP_115597 "chromodomain-helicase-DNA-binding protein 6 [Homo sapiens]" 89.71 2715 100.00 100.00 6.12e-32 REF XP_001502820 "PREDICTED: chromodomain-helicase-DNA-binding protein 6 [Equus caballus]" 89.71 2717 100.00 100.00 6.55e-32 REF XP_002721122 "PREDICTED: chromodomain-helicase-DNA-binding protein 6 [Oryctolagus cuniculus]" 89.71 2717 100.00 100.00 7.28e-32 REF XP_002806815 "PREDICTED: LOW QUALITY PROTEIN: chromodomain-helicase-DNA-binding protein 6 [Callithrix jacchus]" 89.71 2714 100.00 100.00 5.83e-32 SP Q8TD26 "RecName: Full=Chromodomain-helicase-DNA-binding protein 6; Short=CHD-6; AltName: Full=ATP-dependent helicase CHD6; AltName: Ful" 89.71 2715 100.00 100.00 6.12e-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' 'E. coli' Escherichia coli . plasmid P060904-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.16mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.16 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9825 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ 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, UNP residues 371-431' _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 4.402 0.030 1 2 6 6 SER HB2 H 3.883 0.030 2 3 6 6 SER C C 174.988 0.300 1 4 6 6 SER CA C 58.855 0.300 1 5 6 6 SER CB C 63.730 0.300 1 6 7 7 GLY H H 8.371 0.030 1 7 7 7 GLY HA2 H 3.936 0.030 1 8 7 7 GLY HA3 H 3.936 0.030 1 9 7 7 GLY C C 173.494 0.300 1 10 7 7 GLY CA C 45.244 0.300 1 11 7 7 GLY N N 110.611 0.300 1 12 8 8 ASN H H 8.140 0.030 1 13 8 8 ASN HA H 4.944 0.030 1 14 8 8 ASN HB2 H 2.764 0.030 2 15 8 8 ASN HB3 H 2.626 0.030 2 16 8 8 ASN HD21 H 7.518 0.030 2 17 8 8 ASN HD22 H 6.978 0.030 2 18 8 8 ASN C C 173.816 0.300 1 19 8 8 ASN CA C 51.118 0.300 1 20 8 8 ASN CB C 38.962 0.300 1 21 8 8 ASN N N 119.769 0.300 1 22 8 8 ASN ND2 N 112.994 0.300 1 23 9 9 PRO HA H 4.345 0.030 1 24 9 9 PRO HB2 H 2.183 0.030 2 25 9 9 PRO HB3 H 1.785 0.030 2 26 9 9 PRO HD2 H 3.773 0.030 2 27 9 9 PRO HD3 H 3.670 0.030 2 28 9 9 PRO HG2 H 1.959 0.030 2 29 9 9 PRO HG3 H 1.905 0.030 2 30 9 9 PRO C C 176.299 0.300 1 31 9 9 PRO CA C 63.581 0.300 1 32 9 9 PRO CB C 31.978 0.300 1 33 9 9 PRO CD C 50.727 0.300 1 34 9 9 PRO CG C 27.118 0.300 1 35 10 10 ASP H H 8.154 0.030 1 36 10 10 ASP HA H 4.457 0.030 1 37 10 10 ASP HB2 H 2.484 0.030 2 38 10 10 ASP HB3 H 2.353 0.030 2 39 10 10 ASP C C 175.625 0.300 1 40 10 10 ASP CA C 54.638 0.300 1 41 10 10 ASP CB C 40.967 0.300 1 42 10 10 ASP N N 118.878 0.300 1 43 11 11 TYR H H 7.617 0.030 1 44 11 11 TYR HA H 4.302 0.030 1 45 11 11 TYR HB2 H 2.721 0.030 2 46 11 11 TYR HB3 H 2.493 0.030 2 47 11 11 TYR HD1 H 6.705 0.030 1 48 11 11 TYR HD2 H 6.705 0.030 1 49 11 11 TYR HE1 H 6.725 0.030 1 50 11 11 TYR HE2 H 6.725 0.030 1 51 11 11 TYR C C 175.094 0.300 1 52 11 11 TYR CA C 57.085 0.300 1 53 11 11 TYR CB C 37.991 0.300 1 54 11 11 TYR CD1 C 132.882 0.300 1 55 11 11 TYR CD2 C 132.882 0.300 1 56 11 11 TYR CE1 C 118.038 0.300 1 57 11 11 TYR CE2 C 118.038 0.300 1 58 11 11 TYR N N 119.954 0.300 1 59 12 12 VAL H H 7.744 0.030 1 60 12 12 VAL HA H 4.155 0.030 1 61 12 12 VAL HB H 1.949 0.030 1 62 12 12 VAL HG1 H 0.847 0.030 1 63 12 12 VAL HG2 H 0.745 0.030 1 64 12 12 VAL C C 175.282 0.300 1 65 12 12 VAL CA C 62.294 0.300 1 66 12 12 VAL CB C 33.213 0.300 1 67 12 12 VAL CG1 C 21.745 0.300 2 68 12 12 VAL CG2 C 20.523 0.300 2 69 12 12 VAL N N 121.453 0.300 1 70 13 13 GLU H H 8.373 0.030 1 71 13 13 GLU HA H 4.639 0.030 1 72 13 13 GLU HB2 H 2.133 0.030 2 73 13 13 GLU HB3 H 2.036 0.030 2 74 13 13 GLU HG2 H 2.390 0.030 2 75 13 13 GLU HG3 H 2.346 0.030 2 76 13 13 GLU C C 176.066 0.300 1 77 13 13 GLU CA C 55.845 0.300 1 78 13 13 GLU CB C 31.841 0.300 1 79 13 13 GLU CG C 36.455 0.300 1 80 13 13 GLU N N 122.597 0.300 1 81 14 14 VAL H H 8.887 0.030 1 82 14 14 VAL HA H 3.361 0.030 1 83 14 14 VAL HB H 1.888 0.030 1 84 14 14 VAL HG1 H 0.659 0.030 1 85 14 14 VAL HG2 H 0.379 0.030 1 86 14 14 VAL C C 175.194 0.300 1 87 14 14 VAL CA C 63.890 0.300 1 88 14 14 VAL CB C 33.355 0.300 1 89 14 14 VAL CG1 C 22.947 0.300 2 90 14 14 VAL CG2 C 20.824 0.300 2 91 14 14 VAL N N 126.565 0.300 1 92 15 15 ASP H H 9.100 0.030 1 93 15 15 ASP HA H 4.564 0.030 1 94 15 15 ASP HB2 H 2.548 0.030 2 95 15 15 ASP HB3 H 2.447 0.030 2 96 15 15 ASP C C 175.124 0.300 1 97 15 15 ASP CA C 55.227 0.300 1 98 15 15 ASP CB C 42.369 0.300 1 99 15 15 ASP N N 127.610 0.300 1 100 16 16 ARG H H 7.388 0.030 1 101 16 16 ARG HA H 4.424 0.030 1 102 16 16 ARG HB2 H 1.880 0.030 2 103 16 16 ARG HB3 H 1.627 0.030 2 104 16 16 ARG HD2 H 3.131 0.030 1 105 16 16 ARG HD3 H 3.131 0.030 1 106 16 16 ARG HG2 H 1.349 0.030 2 107 16 16 ARG HG3 H 1.194 0.030 2 108 16 16 ARG C C 172.906 0.300 1 109 16 16 ARG CA C 54.275 0.300 1 110 16 16 ARG CB C 32.713 0.300 1 111 16 16 ARG CD C 43.404 0.300 1 112 16 16 ARG CG C 25.717 0.300 1 113 16 16 ARG N N 110.302 0.300 1 114 17 17 ILE H H 8.302 0.030 1 115 17 17 ILE HA H 4.018 0.030 1 116 17 17 ILE HB H 1.241 0.030 1 117 17 17 ILE HD1 H 0.104 0.030 1 118 17 17 ILE HG12 H 1.040 0.030 2 119 17 17 ILE HG13 H 0.525 0.030 2 120 17 17 ILE HG2 H 0.035 0.030 1 121 17 17 ILE C C 174.972 0.300 1 122 17 17 ILE CA C 60.602 0.300 1 123 17 17 ILE CB C 38.474 0.300 1 124 17 17 ILE CD1 C 13.341 0.300 1 125 17 17 ILE CG1 C 28.418 0.300 1 126 17 17 ILE CG2 C 17.771 0.300 1 127 17 17 ILE N N 120.975 0.300 1 128 18 18 LEU H H 9.151 0.030 1 129 18 18 LEU HA H 4.425 0.030 1 130 18 18 LEU HB2 H 1.564 0.030 2 131 18 18 LEU HB3 H 1.355 0.030 2 132 18 18 LEU HD1 H 0.679 0.030 1 133 18 18 LEU HD2 H 0.769 0.030 1 134 18 18 LEU HG H 1.443 0.030 1 135 18 18 LEU C C 177.234 0.300 1 136 18 18 LEU CA C 55.715 0.300 1 137 18 18 LEU CB C 43.742 0.300 1 138 18 18 LEU CD1 C 25.264 0.300 2 139 18 18 LEU CD2 C 22.418 0.300 2 140 18 18 LEU CG C 26.628 0.300 1 141 18 18 LEU N N 123.775 0.300 1 142 19 19 GLU H H 7.007 0.030 1 143 19 19 GLU HA H 4.750 0.030 1 144 19 19 GLU HB2 H 2.060 0.030 2 145 19 19 GLU HB3 H 1.898 0.030 2 146 19 19 GLU HG2 H 2.384 0.030 2 147 19 19 GLU HG3 H 2.344 0.030 2 148 19 19 GLU C C 172.811 0.300 1 149 19 19 GLU CA C 55.384 0.300 1 150 19 19 GLU CB C 34.974 0.300 1 151 19 19 GLU CG C 36.773 0.300 1 152 19 19 GLU N N 115.408 0.300 1 153 20 20 VAL H H 8.961 0.030 1 154 20 20 VAL HA H 5.152 0.030 1 155 20 20 VAL HB H 2.002 0.030 1 156 20 20 VAL HG1 H 0.443 0.030 1 157 20 20 VAL HG2 H 1.107 0.030 1 158 20 20 VAL C C 172.457 0.300 1 159 20 20 VAL CA C 59.308 0.300 1 160 20 20 VAL CB C 35.588 0.300 1 161 20 20 VAL CG1 C 23.353 0.300 2 162 20 20 VAL CG2 C 19.184 0.300 2 163 20 20 VAL N N 121.176 0.300 1 164 21 21 ALA H H 8.981 0.030 1 165 21 21 ALA HA H 4.679 0.030 1 166 21 21 ALA HB H 1.004 0.030 1 167 21 21 ALA C C 175.454 0.300 1 168 21 21 ALA CA C 51.286 0.300 1 169 21 21 ALA CB C 22.864 0.300 1 170 21 21 ALA N N 128.919 0.300 1 171 22 22 HIS H H 8.869 0.030 1 172 22 22 HIS HA H 5.471 0.030 1 173 22 22 HIS HB2 H 3.170 0.030 2 174 22 22 HIS HB3 H 3.052 0.030 2 175 22 22 HIS HD2 H 7.286 0.030 1 176 22 22 HIS HE1 H 8.437 0.030 1 177 22 22 HIS C C 174.701 0.300 1 178 22 22 HIS CA C 54.655 0.300 1 179 22 22 HIS CB C 30.585 0.300 1 180 22 22 HIS CD2 C 120.722 0.300 1 181 22 22 HIS CE1 C 137.345 0.300 1 182 22 22 HIS N N 121.726 0.300 1 183 23 23 THR H H 8.978 0.030 1 184 23 23 THR HA H 4.626 0.030 1 185 23 23 THR HB H 4.100 0.030 1 186 23 23 THR HG2 H 0.985 0.030 1 187 23 23 THR C C 172.964 0.300 1 188 23 23 THR CA C 60.384 0.300 1 189 23 23 THR CB C 71.576 0.300 1 190 23 23 THR CG2 C 21.504 0.300 1 191 23 23 THR N N 117.179 0.300 1 192 24 24 LYS H H 8.470 0.030 1 193 24 24 LYS HA H 4.860 0.030 1 194 24 24 LYS HB2 H 1.565 0.030 1 195 24 24 LYS HB3 H 1.565 0.030 1 196 24 24 LYS HD2 H 1.593 0.030 1 197 24 24 LYS HD3 H 1.593 0.030 1 198 24 24 LYS HE2 H 2.949 0.030 1 199 24 24 LYS HE3 H 2.949 0.030 1 200 24 24 LYS HG2 H 1.236 0.030 2 201 24 24 LYS HG3 H 1.155 0.030 2 202 24 24 LYS C C 176.103 0.300 1 203 24 24 LYS CA C 54.786 0.300 1 204 24 24 LYS CB C 34.523 0.300 1 205 24 24 LYS CD C 29.196 0.300 1 206 24 24 LYS CE C 42.075 0.300 1 207 24 24 LYS CG C 24.849 0.300 1 208 24 24 LYS N N 122.214 0.300 1 209 25 25 ASP H H 8.896 0.030 1 210 25 25 ASP HA H 4.468 0.030 1 211 25 25 ASP HB2 H 2.995 0.030 2 212 25 25 ASP HB3 H 2.526 0.030 2 213 25 25 ASP C C 177.638 0.300 1 214 25 25 ASP CA C 54.710 0.300 1 215 25 25 ASP CB C 43.271 0.300 1 216 25 25 ASP N N 127.292 0.300 1 217 26 26 ALA H H 8.991 0.030 1 218 26 26 ALA HA H 4.033 0.030 1 219 26 26 ALA HB H 1.475 0.030 1 220 26 26 ALA C C 178.479 0.300 1 221 26 26 ALA CA C 54.791 0.300 1 222 26 26 ALA CB C 19.078 0.300 1 223 26 26 ALA N N 130.417 0.300 1 224 27 27 GLU H H 8.611 0.030 1 225 27 27 GLU HA H 4.339 0.030 1 226 27 27 GLU HB2 H 2.140 0.030 1 227 27 27 GLU HB3 H 2.140 0.030 1 228 27 27 GLU HG2 H 2.301 0.030 2 229 27 27 GLU HG3 H 2.212 0.030 2 230 27 27 GLU C C 178.524 0.300 1 231 27 27 GLU CA C 58.178 0.300 1 232 27 27 GLU CB C 30.607 0.300 1 233 27 27 GLU CG C 36.447 0.300 1 234 27 27 GLU N N 116.038 0.300 1 235 28 28 THR H H 8.477 0.030 1 236 28 28 THR HA H 4.421 0.030 1 237 28 28 THR HB H 4.400 0.030 1 238 28 28 THR HG2 H 1.218 0.030 1 239 28 28 THR C C 176.951 0.300 1 240 28 28 THR CA C 61.957 0.300 1 241 28 28 THR CB C 71.050 0.300 1 242 28 28 THR CG2 C 21.212 0.300 1 243 28 28 THR N N 107.785 0.300 1 244 29 29 GLY H H 8.257 0.030 1 245 29 29 GLY HA2 H 4.202 0.030 2 246 29 29 GLY HA3 H 3.729 0.030 2 247 29 29 GLY C C 173.560 0.300 1 248 29 29 GLY CA C 45.721 0.300 1 249 29 29 GLY N N 110.901 0.300 1 250 30 30 GLU H H 7.777 0.030 1 251 30 30 GLU HA H 4.203 0.030 1 252 30 30 GLU HB2 H 1.997 0.030 2 253 30 30 GLU HB3 H 1.829 0.030 2 254 30 30 GLU HG2 H 2.260 0.030 2 255 30 30 GLU HG3 H 2.171 0.030 2 256 30 30 GLU C C 175.578 0.300 1 257 30 30 GLU CA C 56.412 0.300 1 258 30 30 GLU CB C 30.889 0.300 1 259 30 30 GLU CG C 36.322 0.300 1 260 30 30 GLU N N 120.063 0.300 1 261 31 31 GLU H H 8.671 0.030 1 262 31 31 GLU HA H 4.725 0.030 1 263 31 31 GLU HB2 H 2.002 0.030 2 264 31 31 GLU HB3 H 1.904 0.030 2 265 31 31 GLU HG2 H 2.266 0.030 2 266 31 31 GLU HG3 H 2.122 0.030 2 267 31 31 GLU C C 175.901 0.300 1 268 31 31 GLU CA C 56.581 0.300 1 269 31 31 GLU CB C 30.954 0.300 1 270 31 31 GLU CG C 37.015 0.300 1 271 31 31 GLU N N 122.924 0.300 1 272 32 32 VAL H H 8.883 0.030 1 273 32 32 VAL HA H 4.333 0.030 1 274 32 32 VAL HB H 1.889 0.030 1 275 32 32 VAL HG1 H 0.840 0.030 1 276 32 32 VAL HG2 H 0.744 0.030 1 277 32 32 VAL C C 174.831 0.300 1 278 32 32 VAL CA C 61.333 0.300 1 279 32 32 VAL CB C 34.725 0.300 1 280 32 32 VAL CG1 C 20.747 0.300 2 281 32 32 VAL CG2 C 21.600 0.300 2 282 32 32 VAL N N 125.637 0.300 1 283 33 33 THR H H 8.608 0.030 1 284 33 33 THR HA H 4.874 0.030 1 285 33 33 THR HB H 3.805 0.030 1 286 33 33 THR HG2 H 0.614 0.030 1 287 33 33 THR C C 172.690 0.300 1 288 33 33 THR CA C 62.335 0.300 1 289 33 33 THR CB C 70.449 0.300 1 290 33 33 THR CG2 C 21.957 0.300 1 291 33 33 THR N N 124.199 0.300 1 292 34 34 HIS H H 8.575 0.030 1 293 34 34 HIS HA H 5.351 0.030 1 294 34 34 HIS HB2 H 3.137 0.030 2 295 34 34 HIS HB3 H 2.703 0.030 2 296 34 34 HIS HD2 H 6.994 0.030 1 297 34 34 HIS HE1 H 7.761 0.030 1 298 34 34 HIS C C 173.335 0.300 1 299 34 34 HIS CA C 54.606 0.300 1 300 34 34 HIS CB C 35.229 0.300 1 301 34 34 HIS CD2 C 119.602 0.300 1 302 34 34 HIS CE1 C 137.732 0.300 1 303 34 34 HIS N N 122.766 0.300 1 304 35 35 TYR H H 9.699 0.030 1 305 35 35 TYR HA H 5.197 0.030 1 306 35 35 TYR HB2 H 2.662 0.030 2 307 35 35 TYR HB3 H 2.263 0.030 2 308 35 35 TYR HD1 H 6.683 0.030 1 309 35 35 TYR HD2 H 6.683 0.030 1 310 35 35 TYR HE1 H 6.601 0.030 1 311 35 35 TYR HE2 H 6.601 0.030 1 312 35 35 TYR C C 173.659 0.300 1 313 35 35 TYR CA C 56.652 0.300 1 314 35 35 TYR CB C 41.855 0.300 1 315 35 35 TYR CD1 C 132.102 0.300 1 316 35 35 TYR CD2 C 132.102 0.300 1 317 35 35 TYR CE1 C 117.975 0.300 1 318 35 35 TYR CE2 C 117.975 0.300 1 319 35 35 TYR N N 118.431 0.300 1 320 36 36 LEU H H 8.153 0.030 1 321 36 36 LEU HA H 3.779 0.030 1 322 36 36 LEU HB2 H 0.902 0.030 2 323 36 36 LEU HB3 H -1.411 0.030 2 324 36 36 LEU HD1 H 0.398 0.030 1 325 36 36 LEU HD2 H -0.607 0.030 1 326 36 36 LEU HG H 0.651 0.030 1 327 36 36 LEU C C 174.453 0.300 1 328 36 36 LEU CA C 53.536 0.300 1 329 36 36 LEU CB C 40.241 0.300 1 330 36 36 LEU CD1 C 25.587 0.300 2 331 36 36 LEU CD2 C 19.700 0.300 2 332 36 36 LEU CG C 26.180 0.300 1 333 36 36 LEU N N 127.545 0.300 1 334 37 37 VAL H H 9.155 0.030 1 335 37 37 VAL HA H 3.703 0.030 1 336 37 37 VAL HB H 1.491 0.030 1 337 37 37 VAL HG1 H 0.373 0.030 1 338 37 37 VAL HG2 H -0.459 0.030 1 339 37 37 VAL C C 172.978 0.300 1 340 37 37 VAL CA C 62.118 0.300 1 341 37 37 VAL CB C 33.588 0.300 1 342 37 37 VAL CG1 C 21.337 0.300 2 343 37 37 VAL CG2 C 21.450 0.300 2 344 37 37 VAL N N 128.384 0.300 1 345 38 38 LYS H H 8.059 0.030 1 346 38 38 LYS HA H 4.601 0.030 1 347 38 38 LYS HB2 H 1.732 0.030 2 348 38 38 LYS HB3 H 1.480 0.030 2 349 38 38 LYS HD2 H 1.448 0.030 2 350 38 38 LYS HD3 H 1.319 0.030 2 351 38 38 LYS HE2 H 2.810 0.030 2 352 38 38 LYS HE3 H 2.769 0.030 2 353 38 38 LYS HG2 H 1.324 0.030 2 354 38 38 LYS HG3 H 1.197 0.030 2 355 38 38 LYS C C 176.002 0.300 1 356 38 38 LYS CA C 53.924 0.300 1 357 38 38 LYS CB C 33.606 0.300 1 358 38 38 LYS CD C 29.180 0.300 1 359 38 38 LYS CE C 42.925 0.300 1 360 38 38 LYS CG C 25.546 0.300 1 361 38 38 LYS N N 124.240 0.300 1 362 39 39 TRP H H 8.761 0.030 1 363 39 39 TRP HA H 4.687 0.030 1 364 39 39 TRP HB2 H 3.476 0.030 2 365 39 39 TRP HB3 H 2.925 0.030 2 366 39 39 TRP HD1 H 7.336 0.030 1 367 39 39 TRP HE1 H 10.834 0.030 1 368 39 39 TRP HE3 H 7.391 0.030 1 369 39 39 TRP HH2 H 7.076 0.030 1 370 39 39 TRP HZ2 H 7.274 0.030 1 371 39 39 TRP HZ3 H 6.893 0.030 1 372 39 39 TRP C C 177.528 0.300 1 373 39 39 TRP CA C 56.334 0.300 1 374 39 39 TRP CB C 30.865 0.300 1 375 39 39 TRP CD1 C 127.587 0.300 1 376 39 39 TRP CE3 C 120.281 0.300 1 377 39 39 TRP CH2 C 123.855 0.300 1 378 39 39 TRP CZ2 C 114.208 0.300 1 379 39 39 TRP CZ3 C 122.519 0.300 1 380 39 39 TRP N N 132.106 0.300 1 381 39 39 TRP NE1 N 131.965 0.300 1 382 40 40 CYS H H 9.200 0.030 1 383 40 40 CYS HA H 4.167 0.030 1 384 40 40 CYS HB2 H 3.057 0.030 2 385 40 40 CYS HB3 H 2.897 0.030 2 386 40 40 CYS CA C 62.747 0.300 1 387 40 40 CYS CB C 27.268 0.300 1 388 40 40 CYS N N 122.374 0.300 1 389 41 41 SER H H 8.755 0.030 1 390 41 41 SER HA H 4.184 0.030 1 391 41 41 SER HB2 H 4.161 0.030 2 392 41 41 SER HB3 H 4.006 0.030 2 393 41 41 SER C C 172.820 0.300 1 394 41 41 SER CA C 60.083 0.300 1 395 41 41 SER CB C 63.116 0.300 1 396 41 41 SER N N 112.993 0.300 1 397 42 42 LEU H H 7.440 0.030 1 398 42 42 LEU HA H 4.988 0.030 1 399 42 42 LEU HB2 H 1.773 0.030 2 400 42 42 LEU HB3 H 1.459 0.030 2 401 42 42 LEU HD1 H 0.784 0.030 1 402 42 42 LEU HD2 H 0.886 0.030 1 403 42 42 LEU HG H 1.572 0.030 1 404 42 42 LEU C C 174.294 0.300 1 405 42 42 LEU CA C 51.899 0.300 1 406 42 42 LEU CB C 43.748 0.300 1 407 42 42 LEU CD1 C 25.472 0.300 2 408 42 42 LEU CD2 C 23.096 0.300 2 409 42 42 LEU CG C 26.944 0.300 1 410 42 42 LEU N N 121.503 0.300 1 411 43 43 PRO HA H 4.601 0.030 1 412 43 43 PRO HB2 H 2.525 0.030 2 413 43 43 PRO HB3 H 2.177 0.030 2 414 43 43 PRO HD2 H 3.825 0.030 2 415 43 43 PRO HD3 H 3.576 0.030 2 416 43 43 PRO HG2 H 2.125 0.030 2 417 43 43 PRO HG3 H 1.906 0.030 2 418 43 43 PRO CA C 62.342 0.300 1 419 43 43 PRO CB C 33.198 0.300 1 420 43 43 PRO CD C 50.587 0.300 1 421 43 43 PRO CG C 27.870 0.300 1 422 44 44 TYR H H 9.042 0.030 1 423 44 44 TYR HA H 3.726 0.030 1 424 44 44 TYR HB2 H 3.109 0.030 2 425 44 44 TYR HB3 H 2.973 0.030 2 426 44 44 TYR HD1 H 7.086 0.030 1 427 44 44 TYR HD2 H 7.086 0.030 1 428 44 44 TYR HE1 H 6.800 0.030 1 429 44 44 TYR HE2 H 6.800 0.030 1 430 44 44 TYR C C 178.690 0.300 1 431 44 44 TYR CA C 62.833 0.300 1 432 44 44 TYR CB C 38.591 0.300 1 433 44 44 TYR CD1 C 132.970 0.300 1 434 44 44 TYR CD2 C 132.970 0.300 1 435 44 44 TYR CE1 C 118.593 0.300 1 436 44 44 TYR CE2 C 118.593 0.300 1 437 44 44 TYR N N 122.414 0.300 1 438 45 45 GLU H H 10.023 0.030 1 439 45 45 GLU HA H 4.209 0.030 1 440 45 45 GLU HB2 H 2.198 0.030 2 441 45 45 GLU HB3 H 2.136 0.030 2 442 45 45 GLU HG2 H 2.496 0.030 2 443 45 45 GLU HG3 H 2.423 0.030 2 444 45 45 GLU C C 176.570 0.300 1 445 45 45 GLU CA C 59.447 0.300 1 446 45 45 GLU CB C 28.606 0.300 1 447 45 45 GLU CG C 37.015 0.300 1 448 45 45 GLU N N 118.254 0.300 1 449 46 46 GLU H H 7.683 0.030 1 450 46 46 GLU HA H 4.604 0.030 1 451 46 46 GLU HB2 H 2.563 0.030 2 452 46 46 GLU HB3 H 1.736 0.030 2 453 46 46 GLU HG2 H 2.222 0.030 1 454 46 46 GLU HG3 H 2.222 0.030 1 455 46 46 GLU C C 175.234 0.300 1 456 46 46 GLU CA C 55.619 0.300 1 457 46 46 GLU CB C 29.656 0.300 1 458 46 46 GLU CG C 36.673 0.300 1 459 46 46 GLU N N 119.144 0.300 1 460 47 47 SER H H 7.264 0.030 1 461 47 47 SER HA H 4.872 0.030 1 462 47 47 SER HB2 H 3.433 0.030 2 463 47 47 SER HB3 H 3.369 0.030 2 464 47 47 SER C C 174.149 0.300 1 465 47 47 SER CA C 60.582 0.300 1 466 47 47 SER CB C 63.583 0.300 1 467 47 47 SER N N 116.702 0.300 1 468 48 48 THR H H 8.194 0.030 1 469 48 48 THR HA H 4.765 0.030 1 470 48 48 THR HB H 4.380 0.030 1 471 48 48 THR HG2 H 1.312 0.030 1 472 48 48 THR C C 173.417 0.300 1 473 48 48 THR CA C 59.438 0.300 1 474 48 48 THR CB C 71.403 0.300 1 475 48 48 THR CG2 C 23.221 0.300 1 476 48 48 THR N N 112.520 0.300 1 477 49 49 TRP H H 8.693 0.030 1 478 49 49 TRP HA H 5.051 0.030 1 479 49 49 TRP HB2 H 2.995 0.030 2 480 49 49 TRP HB3 H 2.711 0.030 2 481 49 49 TRP HD1 H 7.200 0.030 1 482 49 49 TRP HE1 H 10.136 0.030 1 483 49 49 TRP HE3 H 6.996 0.030 1 484 49 49 TRP HH2 H 6.890 0.030 1 485 49 49 TRP HZ2 H 7.379 0.030 1 486 49 49 TRP HZ3 H 6.621 0.030 1 487 49 49 TRP C C 176.748 0.300 1 488 49 49 TRP CA C 56.474 0.300 1 489 49 49 TRP CB C 29.438 0.300 1 490 49 49 TRP CD1 C 127.657 0.300 1 491 49 49 TRP CE3 C 119.617 0.300 1 492 49 49 TRP CH2 C 124.109 0.300 1 493 49 49 TRP CZ2 C 115.410 0.300 1 494 49 49 TRP CZ3 C 122.550 0.300 1 495 49 49 TRP N N 122.530 0.300 1 496 49 49 TRP NE1 N 129.697 0.300 1 497 50 50 GLU H H 9.715 0.030 1 498 50 50 GLU HA H 4.959 0.030 1 499 50 50 GLU HB2 H 2.265 0.030 2 500 50 50 GLU HB3 H 1.538 0.030 2 501 50 50 GLU HG2 H 2.441 0.030 2 502 50 50 GLU HG3 H 2.276 0.030 2 503 50 50 GLU C C 176.282 0.300 1 504 50 50 GLU CA C 53.309 0.300 1 505 50 50 GLU CB C 32.830 0.300 1 506 50 50 GLU CG C 35.215 0.300 1 507 50 50 GLU N N 123.504 0.300 1 508 51 51 LEU H H 9.554 0.030 1 509 51 51 LEU HA H 4.204 0.030 1 510 51 51 LEU HB2 H 1.729 0.030 1 511 51 51 LEU HB3 H 1.729 0.030 1 512 51 51 LEU HD1 H 0.922 0.030 1 513 51 51 LEU HD2 H 0.643 0.030 1 514 51 51 LEU HG H 1.730 0.030 1 515 51 51 LEU C C 178.613 0.300 1 516 51 51 LEU CA C 55.135 0.300 1 517 51 51 LEU CB C 42.938 0.300 1 518 51 51 LEU CD1 C 25.297 0.300 2 519 51 51 LEU CD2 C 23.586 0.300 2 520 51 51 LEU CG C 27.379 0.300 1 521 51 51 LEU N N 124.182 0.300 1 522 52 52 GLU H H 8.139 0.030 1 523 52 52 GLU HA H 3.875 0.030 1 524 52 52 GLU HB2 H 2.128 0.030 1 525 52 52 GLU HB3 H 2.128 0.030 1 526 52 52 GLU HG2 H 2.310 0.030 1 527 52 52 GLU HG3 H 2.310 0.030 1 528 52 52 GLU C C 177.966 0.300 1 529 52 52 GLU CA C 60.470 0.300 1 530 52 52 GLU CB C 30.360 0.300 1 531 52 52 GLU CG C 35.976 0.300 1 532 52 52 GLU N N 121.022 0.300 1 533 53 53 GLU H H 8.961 0.030 1 534 53 53 GLU HA H 4.252 0.030 1 535 53 53 GLU HB2 H 2.147 0.030 2 536 53 53 GLU HB3 H 2.085 0.030 2 537 53 53 GLU HG2 H 2.227 0.030 1 538 53 53 GLU HG3 H 2.227 0.030 1 539 53 53 GLU C C 176.381 0.300 1 540 53 53 GLU CA C 58.308 0.300 1 541 53 53 GLU CB C 29.147 0.300 1 542 53 53 GLU CG C 35.787 0.300 1 543 53 53 GLU N N 114.959 0.300 1 544 54 54 ASP H H 7.967 0.030 1 545 54 54 ASP HA H 4.958 0.030 1 546 54 54 ASP HB2 H 3.108 0.030 2 547 54 54 ASP HB3 H 2.871 0.030 2 548 54 54 ASP C C 175.577 0.300 1 549 54 54 ASP CA C 54.733 0.300 1 550 54 54 ASP CB C 42.090 0.300 1 551 54 54 ASP N N 118.653 0.300 1 552 55 55 VAL H H 7.466 0.030 1 553 55 55 VAL HA H 4.107 0.030 1 554 55 55 VAL HB H 1.712 0.030 1 555 55 55 VAL HG1 H 0.763 0.030 1 556 55 55 VAL HG2 H 0.633 0.030 1 557 55 55 VAL C C 174.459 0.300 1 558 55 55 VAL CA C 61.335 0.300 1 559 55 55 VAL CB C 33.584 0.300 1 560 55 55 VAL CG1 C 22.321 0.300 2 561 55 55 VAL CG2 C 22.172 0.300 2 562 55 55 VAL N N 119.785 0.300 1 563 56 56 ASP H H 8.160 0.030 1 564 56 56 ASP HA H 4.528 0.030 1 565 56 56 ASP HB2 H 2.752 0.030 2 566 56 56 ASP HB3 H 2.526 0.030 2 567 56 56 ASP C C 175.897 0.300 1 568 56 56 ASP CA C 52.348 0.300 1 569 56 56 ASP CB C 42.582 0.300 1 570 56 56 ASP N N 127.697 0.300 1 571 57 57 PRO HA H 4.137 0.030 1 572 57 57 PRO HB2 H 2.424 0.030 2 573 57 57 PRO HB3 H 2.010 0.030 2 574 57 57 PRO HD2 H 4.024 0.030 2 575 57 57 PRO HD3 H 3.938 0.030 2 576 57 57 PRO HG2 H 2.121 0.030 1 577 57 57 PRO HG3 H 2.121 0.030 1 578 57 57 PRO C C 179.024 0.300 1 579 57 57 PRO CA C 64.901 0.300 1 580 57 57 PRO CB C 32.381 0.300 1 581 57 57 PRO CD C 51.704 0.300 1 582 57 57 PRO CG C 27.311 0.300 1 583 58 58 ALA H H 8.628 0.030 1 584 58 58 ALA HA H 4.151 0.030 1 585 58 58 ALA HB H 1.459 0.030 1 586 58 58 ALA C C 181.643 0.300 1 587 58 58 ALA CA C 55.159 0.300 1 588 58 58 ALA CB C 18.296 0.300 1 589 58 58 ALA N N 120.943 0.300 1 590 59 59 LYS H H 7.587 0.030 1 591 59 59 LYS HA H 4.134 0.030 1 592 59 59 LYS HB2 H 1.993 0.030 2 593 59 59 LYS HB3 H 1.491 0.030 2 594 59 59 LYS HD2 H 1.683 0.030 2 595 59 59 LYS HD3 H 1.339 0.030 2 596 59 59 LYS HE2 H 2.976 0.030 2 597 59 59 LYS HE3 H 2.867 0.030 2 598 59 59 LYS HG2 H 1.417 0.030 2 599 59 59 LYS HG3 H 1.310 0.030 2 600 59 59 LYS C C 179.825 0.300 1 601 59 59 LYS CA C 56.591 0.300 1 602 59 59 LYS CB C 31.164 0.300 1 603 59 59 LYS CD C 28.047 0.300 1 604 59 59 LYS CE C 42.324 0.300 1 605 59 59 LYS CG C 24.672 0.300 1 606 59 59 LYS N N 116.926 0.300 1 607 60 60 VAL H H 7.288 0.030 1 608 60 60 VAL HA H 3.182 0.030 1 609 60 60 VAL HB H 2.071 0.030 1 610 60 60 VAL HG1 H 0.890 0.030 1 611 60 60 VAL HG2 H 0.442 0.030 1 612 60 60 VAL C C 177.341 0.300 1 613 60 60 VAL CA C 67.026 0.300 1 614 60 60 VAL CB C 31.473 0.300 1 615 60 60 VAL CG1 C 21.403 0.300 2 616 60 60 VAL CG2 C 22.280 0.300 2 617 60 60 VAL N N 123.134 0.300 1 618 61 61 LYS H H 7.941 0.030 1 619 61 61 LYS HA H 4.094 0.030 1 620 61 61 LYS HB2 H 1.887 0.030 1 621 61 61 LYS HB3 H 1.887 0.030 1 622 61 61 LYS HD2 H 1.690 0.030 1 623 61 61 LYS HD3 H 1.690 0.030 1 624 61 61 LYS HE2 H 2.972 0.030 1 625 61 61 LYS HE3 H 2.972 0.030 1 626 61 61 LYS HG2 H 1.556 0.030 2 627 61 61 LYS HG3 H 1.473 0.030 2 628 61 61 LYS C C 179.608 0.300 1 629 61 61 LYS CA C 59.218 0.300 1 630 61 61 LYS CB C 31.873 0.300 1 631 61 61 LYS CD C 28.863 0.300 1 632 61 61 LYS CE C 42.069 0.300 1 633 61 61 LYS CG C 24.854 0.300 1 634 61 61 LYS N N 119.137 0.300 1 635 62 62 GLU H H 7.572 0.030 1 636 62 62 GLU HA H 4.022 0.030 1 637 62 62 GLU HB2 H 2.125 0.030 1 638 62 62 GLU HB3 H 2.125 0.030 1 639 62 62 GLU HG2 H 2.434 0.030 2 640 62 62 GLU HG3 H 2.237 0.030 2 641 62 62 GLU C C 178.444 0.300 1 642 62 62 GLU CA C 59.394 0.300 1 643 62 62 GLU CB C 30.096 0.300 1 644 62 62 GLU CG C 36.406 0.300 1 645 62 62 GLU N N 118.927 0.300 1 646 63 63 PHE H H 7.644 0.030 1 647 63 63 PHE HA H 4.339 0.030 1 648 63 63 PHE HB2 H 3.221 0.030 2 649 63 63 PHE HB3 H 3.178 0.030 2 650 63 63 PHE HD1 H 7.200 0.030 1 651 63 63 PHE HD2 H 7.200 0.030 1 652 63 63 PHE HE1 H 7.211 0.030 1 653 63 63 PHE HE2 H 7.211 0.030 1 654 63 63 PHE HZ H 7.253 0.030 1 655 63 63 PHE C C 178.040 0.300 1 656 63 63 PHE CA C 60.968 0.300 1 657 63 63 PHE CB C 39.841 0.300 1 658 63 63 PHE CD1 C 132.284 0.300 1 659 63 63 PHE CD2 C 132.284 0.300 1 660 63 63 PHE CE1 C 131.243 0.300 1 661 63 63 PHE CE2 C 131.243 0.300 1 662 63 63 PHE CZ C 129.433 0.300 1 663 63 63 PHE N N 120.716 0.300 1 664 64 64 GLU H H 8.707 0.030 1 665 64 64 GLU HA H 3.875 0.030 1 666 64 64 GLU HB2 H 2.102 0.030 1 667 64 64 GLU HB3 H 2.102 0.030 1 668 64 64 GLU HG2 H 2.678 0.030 2 669 64 64 GLU HG3 H 2.385 0.030 2 670 64 64 GLU C C 179.024 0.300 1 671 64 64 GLU CA C 58.810 0.300 1 672 64 64 GLU CB C 29.662 0.300 1 673 64 64 GLU CG C 36.738 0.300 1 674 64 64 GLU N N 119.046 0.300 1 675 65 65 SER H H 7.871 0.030 1 676 65 65 SER HA H 4.334 0.030 1 677 65 65 SER HB2 H 3.995 0.030 1 678 65 65 SER HB3 H 3.995 0.030 1 679 65 65 SER C C 174.589 0.300 1 680 65 65 SER CA C 60.270 0.300 1 681 65 65 SER CB C 63.534 0.300 1 682 65 65 SER N N 114.055 0.300 1 683 66 66 LEU H H 7.363 0.030 1 684 66 66 LEU HA H 4.295 0.030 1 685 66 66 LEU HB2 H 1.683 0.030 2 686 66 66 LEU HB3 H 1.540 0.030 2 687 66 66 LEU HD1 H 0.854 0.030 1 688 66 66 LEU HD2 H 0.855 0.030 1 689 66 66 LEU HG H 1.778 0.030 1 690 66 66 LEU C C 177.450 0.300 1 691 66 66 LEU CA C 55.392 0.300 1 692 66 66 LEU CB C 42.313 0.300 1 693 66 66 LEU CD1 C 23.503 0.300 2 694 66 66 LEU CD2 C 22.963 0.300 2 695 66 66 LEU CG C 26.469 0.300 1 696 66 66 LEU N N 121.403 0.300 1 697 67 67 GLN H H 7.688 0.030 1 698 67 67 GLN HA H 4.273 0.030 1 699 67 67 GLN HB2 H 2.109 0.030 2 700 67 67 GLN HB3 H 1.948 0.030 2 701 67 67 GLN HE21 H 7.028 0.030 2 702 67 67 GLN HE22 H 6.683 0.030 2 703 67 67 GLN HG2 H 2.230 0.030 2 704 67 67 GLN HG3 H 2.195 0.030 2 705 67 67 GLN C C 175.084 0.300 1 706 67 67 GLN CA C 55.349 0.300 1 707 67 67 GLN CB C 28.776 0.300 1 708 67 67 GLN CG C 33.461 0.300 1 709 67 67 GLN N N 119.910 0.300 1 710 67 67 GLN NE2 N 113.925 0.300 1 711 68 68 VAL H H 7.569 0.030 1 712 68 68 VAL HA H 4.043 0.030 1 713 68 68 VAL HB H 2.105 0.030 1 714 68 68 VAL HG1 H 0.884 0.030 1 715 68 68 VAL HG2 H 0.884 0.030 1 716 68 68 VAL C C 181.043 0.300 1 717 68 68 VAL CA C 63.579 0.300 1 718 68 68 VAL CB C 33.189 0.300 1 719 68 68 VAL CG1 C 21.459 0.300 2 720 68 68 VAL CG2 C 19.958 0.300 2 721 68 68 VAL N N 124.498 0.300 1 stop_ save_