data_11134 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the HMG box domain from human WD repeat and HMG-box DNA binding protein 1 ; _BMRB_accession_number 11134 _BMRB_flat_file_name bmr11134.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Tomizawa T. . . 2 Kigawa T. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kamatari Y. . . 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" 432 "13C chemical shifts" 298 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the HMG box domain from human WD repeat and HMG-box DNA binding protein 1 ; _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 Tomizawa T. . . 2 Kigawa T. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kamatari Y. . . 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 'WD repeat and HMG-box DNA binding protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HMG box 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 'HMG box domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GSSGSSGRPKTGFQMWLEEN RSNILSDNPDFSDEADIIKE GMIRFRVLSTEERKVWANKA KGETASEGTEAKKRKSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 PRO 10 LYS 11 THR 12 GLY 13 PHE 14 GLN 15 MET 16 TRP 17 LEU 18 GLU 19 GLU 20 ASN 21 ARG 22 SER 23 ASN 24 ILE 25 LEU 26 SER 27 ASP 28 ASN 29 PRO 30 ASP 31 PHE 32 SER 33 ASP 34 GLU 35 ALA 36 ASP 37 ILE 38 ILE 39 LYS 40 GLU 41 GLY 42 MET 43 ILE 44 ARG 45 PHE 46 ARG 47 VAL 48 LEU 49 SER 50 THR 51 GLU 52 GLU 53 ARG 54 LYS 55 VAL 56 TRP 57 ALA 58 ASN 59 LYS 60 ALA 61 LYS 62 GLY 63 GLU 64 THR 65 ALA 66 SER 67 GLU 68 GLY 69 THR 70 GLU 71 ALA 72 LYS 73 LYS 74 ARG 75 LYS 76 SER 77 GLY 78 PRO 79 SER 80 SER 81 GLY 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 2D7L "Solution Structure Of The Hmg Box Domain From Human Wd Repeat And Hmg-Box Dna Binding Protein 1" 100.00 81 100.00 100.00 3.50e-49 DBJ BAF85694 "unnamed protein product [Homo sapiens]" 83.95 1129 100.00 100.00 9.05e-37 DBJ BAG50934 "unnamed protein product [Homo sapiens]" 83.95 647 100.00 100.00 9.01e-38 DBJ BAG50944 "unnamed protein product [Homo sapiens]" 83.95 798 100.00 100.00 2.67e-37 DBJ BAG50951 "unnamed protein product [Homo sapiens]" 83.95 364 98.53 98.53 1.08e-38 EMBL CAA06932 "AND-1 protein [Homo sapiens]" 83.95 1129 100.00 100.00 8.96e-37 GB AAH63041 "WD repeat and HMG-box DNA binding protein 1 [Homo sapiens]" 83.95 1129 100.00 100.00 8.96e-37 GB EAW80654 "WD repeat and HMG-box DNA binding protein 1 [Homo sapiens]" 83.95 1129 100.00 100.00 8.96e-37 REF NP_001008397 "WD repeat and HMG-box DNA-binding protein 1 isoform 2 [Homo sapiens]" 83.95 1006 100.00 100.00 6.63e-37 REF NP_009017 "WD repeat and HMG-box DNA-binding protein 1 isoform 1 [Homo sapiens]" 83.95 1129 100.00 100.00 8.96e-37 REF XP_001161792 "PREDICTED: WD repeat and HMG-box DNA-binding protein 1 isoform X3 [Pan troglodytes]" 83.95 1006 100.00 100.00 6.31e-37 REF XP_003831741 "PREDICTED: LOW QUALITY PROTEIN: WD repeat and HMG-box DNA-binding protein 1 [Pan paniscus]" 83.95 1127 100.00 100.00 9.02e-37 REF XP_004055246 "PREDICTED: WD repeat and HMG-box DNA-binding protein 1 [Gorilla gorilla gorilla]" 83.95 1129 98.53 100.00 2.24e-36 SP O75717 "RecName: Full=WD repeat and HMG-box DNA-binding protein 1; AltName: Full=Acidic nucleoplasmic DNA-binding protein 1; Short=And-" 83.95 1129 100.00 100.00 8.96e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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_name $entity_1 'cell free synthesis' . Escherichia coli . P050111-08 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.13mM HMG box domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.13 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 20030801 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 0.932 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 '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_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_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 15N-separated NOESY' '3D 13C-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 'HMG box 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 1 1 GLY HA2 H 3.781 0.030 1 2 1 1 GLY HA3 H 3.781 0.030 1 3 1 1 GLY CA C 41.350 0.300 1 4 7 7 GLY HA2 H 3.877 0.030 1 5 7 7 GLY HA3 H 3.877 0.030 1 6 7 7 GLY CA C 42.872 0.300 1 7 8 8 ARG H H 8.036 0.030 1 8 8 8 ARG HA H 4.562 0.030 1 9 8 8 ARG HB2 H 1.767 0.030 2 10 8 8 ARG HB3 H 1.640 0.030 2 11 8 8 ARG HD2 H 3.135 0.030 1 12 8 8 ARG HD3 H 3.135 0.030 1 13 8 8 ARG HG2 H 1.589 0.030 1 14 8 8 ARG HG3 H 1.589 0.030 1 15 8 8 ARG CA C 51.531 0.300 1 16 8 8 ARG CB C 27.825 0.300 1 17 8 8 ARG CD C 40.996 0.300 1 18 8 8 ARG CG C 24.398 0.300 1 19 8 8 ARG N N 121.137 0.300 1 20 9 9 PRO HA H 4.362 0.030 1 21 9 9 PRO HB2 H 2.214 0.030 2 22 9 9 PRO HB3 H 1.814 0.030 2 23 9 9 PRO HD2 H 3.543 0.030 2 24 9 9 PRO HD3 H 3.759 0.030 2 25 9 9 PRO HG2 H 1.975 0.030 2 26 9 9 PRO HG3 H 1.926 0.030 2 27 9 9 PRO CA C 60.806 0.300 1 28 9 9 PRO CB C 29.894 0.300 1 29 9 9 PRO CD C 48.345 0.300 1 30 9 9 PRO CG C 25.187 0.300 1 31 10 10 LYS H H 8.433 0.030 1 32 10 10 LYS HA H 4.474 0.030 1 33 10 10 LYS HB2 H 1.729 0.030 1 34 10 10 LYS HB3 H 1.729 0.030 1 35 10 10 LYS HD2 H 1.581 0.030 2 36 10 10 LYS HD3 H 1.665 0.030 2 37 10 10 LYS HE2 H 2.911 0.030 1 38 10 10 LYS HE3 H 2.911 0.030 1 39 10 10 LYS HG2 H 1.497 0.030 2 40 10 10 LYS HG3 H 1.406 0.030 2 41 10 10 LYS CA C 53.823 0.300 1 42 10 10 LYS CB C 32.029 0.300 1 43 10 10 LYS CD C 27.214 0.300 1 44 10 10 LYS CE C 39.841 0.300 1 45 10 10 LYS CG C 23.126 0.300 1 46 10 10 LYS N N 121.762 0.300 1 47 11 11 THR H H 7.937 0.030 1 48 11 11 THR HA H 4.528 0.030 1 49 11 11 THR HB H 4.658 0.030 1 50 11 11 THR HG2 H 1.234 0.030 1 51 11 11 THR CA C 57.609 0.300 1 52 11 11 THR CB C 69.666 0.300 1 53 11 11 THR CG2 C 19.522 0.300 1 54 11 11 THR N N 110.500 0.300 1 55 12 12 GLY H H 9.148 0.030 1 56 12 12 GLY HA2 H 3.821 0.030 2 57 12 12 GLY HA3 H 3.940 0.030 2 58 12 12 GLY C C 172.889 0.300 1 59 12 12 GLY CA C 45.182 0.300 1 60 12 12 GLY N N 109.041 0.300 1 61 13 13 PHE H H 8.307 0.030 1 62 13 13 PHE HA H 2.983 0.030 1 63 13 13 PHE HB2 H 2.311 0.030 2 64 13 13 PHE HB3 H 2.431 0.030 2 65 13 13 PHE HD1 H 6.329 0.030 1 66 13 13 PHE HD2 H 6.329 0.030 1 67 13 13 PHE HE1 H 6.901 0.030 1 68 13 13 PHE HE2 H 6.901 0.030 1 69 13 13 PHE HZ H 7.178 0.030 1 70 13 13 PHE C C 173.708 0.300 1 71 13 13 PHE CA C 58.028 0.300 1 72 13 13 PHE CB C 36.352 0.300 1 73 13 13 PHE CD1 C 129.787 0.300 1 74 13 13 PHE CD2 C 129.787 0.300 1 75 13 13 PHE CE1 C 128.086 0.300 1 76 13 13 PHE CE2 C 128.086 0.300 1 77 13 13 PHE CZ C 126.867 0.300 1 78 13 13 PHE N N 119.884 0.300 1 79 14 14 GLN H H 7.627 0.030 1 80 14 14 GLN HA H 3.265 0.030 1 81 14 14 GLN HB2 H 1.874 0.030 2 82 14 14 GLN HB3 H 2.172 0.030 2 83 14 14 GLN HE21 H 6.732 0.030 2 84 14 14 GLN HE22 H 7.589 0.030 2 85 14 14 GLN HG2 H 2.391 0.030 2 86 14 14 GLN HG3 H 2.316 0.030 2 87 14 14 GLN C C 177.007 0.300 1 88 14 14 GLN CA C 56.799 0.300 1 89 14 14 GLN CB C 25.994 0.300 1 90 14 14 GLN CG C 32.211 0.300 1 91 14 14 GLN N N 117.023 0.300 1 92 14 14 GLN NE2 N 110.879 0.300 1 93 15 15 MET H H 7.935 0.030 1 94 15 15 MET HA H 4.096 0.030 1 95 15 15 MET HB2 H 2.432 0.030 2 96 15 15 MET HB3 H 2.370 0.030 2 97 15 15 MET HE H 2.098 0.030 1 98 15 15 MET HG2 H 2.675 0.030 1 99 15 15 MET HG3 H 2.675 0.030 1 100 15 15 MET C C 175.497 0.300 1 101 15 15 MET CA C 56.309 0.300 1 102 15 15 MET CB C 30.285 0.300 1 103 15 15 MET CE C 15.495 0.300 1 104 15 15 MET CG C 30.634 0.300 1 105 15 15 MET N N 118.093 0.300 1 106 16 16 TRP H H 8.156 0.030 1 107 16 16 TRP HA H 2.243 0.030 1 108 16 16 TRP HB2 H 1.690 0.030 2 109 16 16 TRP HB3 H 2.671 0.030 2 110 16 16 TRP HD1 H 5.996 0.030 1 111 16 16 TRP HE1 H 10.221 0.030 1 112 16 16 TRP HE3 H 6.698 0.030 1 113 16 16 TRP HH2 H 6.916 0.030 1 114 16 16 TRP HZ2 H 7.244 0.030 1 115 16 16 TRP HZ3 H 6.662 0.030 1 116 16 16 TRP C C 177.217 0.300 1 117 16 16 TRP CA C 59.251 0.300 1 118 16 16 TRP CB C 26.115 0.300 1 119 16 16 TRP CD1 C 123.965 0.300 1 120 16 16 TRP CE3 C 117.205 0.300 1 121 16 16 TRP CH2 C 121.784 0.300 1 122 16 16 TRP CZ2 C 111.432 0.300 1 123 16 16 TRP CZ3 C 118.701 0.300 1 124 16 16 TRP N N 123.216 0.300 1 125 16 16 TRP NE1 N 131.161 0.300 1 126 17 17 LEU H H 8.851 0.030 1 127 17 17 LEU HA H 3.110 0.030 1 128 17 17 LEU HB2 H 0.557 0.030 2 129 17 17 LEU HB3 H 1.352 0.030 2 130 17 17 LEU HD1 H 0.628 0.030 1 131 17 17 LEU HD2 H 0.684 0.030 1 132 17 17 LEU HG H 1.254 0.030 1 133 17 17 LEU C C 175.896 0.300 1 134 17 17 LEU CA C 55.414 0.300 1 135 17 17 LEU CB C 38.256 0.300 1 136 17 17 LEU CD1 C 21.568 0.300 2 137 17 17 LEU CD2 C 23.856 0.300 2 138 17 17 LEU CG C 24.332 0.300 1 139 17 17 LEU N N 122.498 0.300 1 140 18 18 GLU H H 7.370 0.030 1 141 18 18 GLU HA H 3.796 0.030 1 142 18 18 GLU HB2 H 1.980 0.030 1 143 18 18 GLU HB3 H 1.980 0.030 1 144 18 18 GLU HG2 H 2.226 0.030 2 145 18 18 GLU HG3 H 2.360 0.030 2 146 18 18 GLU C C 176.986 0.300 1 147 18 18 GLU CA C 56.920 0.300 1 148 18 18 GLU CB C 26.634 0.300 1 149 18 18 GLU CG C 33.736 0.300 1 150 18 18 GLU N N 116.898 0.300 1 151 19 19 GLU H H 6.778 0.030 1 152 19 19 GLU HA H 4.122 0.030 1 153 19 19 GLU HB2 H 1.725 0.030 2 154 19 19 GLU HB3 H 1.883 0.030 2 155 19 19 GLU HG2 H 2.309 0.030 2 156 19 19 GLU HG3 H 2.175 0.030 2 157 19 19 GLU C C 174.853 0.300 1 158 19 19 GLU CA C 55.319 0.300 1 159 19 19 GLU CB C 27.628 0.300 1 160 19 19 GLU CG C 34.090 0.300 1 161 19 19 GLU N N 115.197 0.300 1 162 20 20 ASN H H 7.261 0.030 1 163 20 20 ASN HA H 4.423 0.030 1 164 20 20 ASN HB2 H 0.491 0.030 2 165 20 20 ASN HB3 H 1.736 0.030 2 166 20 20 ASN HD21 H 5.603 0.030 2 167 20 20 ASN HD22 H 6.350 0.030 2 168 20 20 ASN C C 172.713 0.300 1 169 20 20 ASN CA C 52.245 0.300 1 170 20 20 ASN CB C 37.908 0.300 1 171 20 20 ASN N N 115.460 0.300 1 172 20 20 ASN ND2 N 113.092 0.300 1 173 21 21 ARG H H 7.945 0.030 1 174 21 21 ARG HA H 3.486 0.030 1 175 21 21 ARG HB2 H 1.597 0.030 2 176 21 21 ARG HB3 H 1.828 0.030 2 177 21 21 ARG HD2 H 3.161 0.030 2 178 21 21 ARG HD3 H 2.971 0.030 2 179 21 21 ARG HE H 7.659 0.030 1 180 21 21 ARG HG2 H 1.413 0.030 2 181 21 21 ARG HG3 H 1.321 0.030 2 182 21 21 ARG C C 174.819 0.300 1 183 21 21 ARG CA C 58.774 0.300 1 184 21 21 ARG CB C 27.514 0.300 1 185 21 21 ARG CD C 40.487 0.300 1 186 21 21 ARG CG C 25.599 0.300 1 187 21 21 ARG N N 124.351 0.300 1 188 21 21 ARG NE N 82.468 0.300 1 189 22 22 SER H H 8.467 0.030 1 190 22 22 SER HA H 3.985 0.030 1 191 22 22 SER HB2 H 3.756 0.030 1 192 22 22 SER HB3 H 3.756 0.030 1 193 22 22 SER C C 174.615 0.300 1 194 22 22 SER CA C 59.485 0.300 1 195 22 22 SER CB C 59.534 0.300 1 196 22 22 SER N N 112.516 0.300 1 197 23 23 ASN H H 7.569 0.030 1 198 23 23 ASN HA H 4.374 0.030 1 199 23 23 ASN HB2 H 2.806 0.030 2 200 23 23 ASN HB3 H 2.772 0.030 2 201 23 23 ASN HD21 H 7.335 0.030 2 202 23 23 ASN HD22 H 6.923 0.030 2 203 23 23 ASN C C 174.852 0.300 1 204 23 23 ASN CA C 53.602 0.300 1 205 23 23 ASN CB C 35.678 0.300 1 206 23 23 ASN N N 121.647 0.300 1 207 23 23 ASN ND2 N 112.019 0.300 1 208 24 24 ILE H H 7.766 0.030 1 209 24 24 ILE HA H 3.410 0.030 1 210 24 24 ILE HB H 1.927 0.030 1 211 24 24 ILE HD1 H 0.819 0.030 1 212 24 24 ILE HG12 H 0.722 0.030 2 213 24 24 ILE HG13 H 1.799 0.030 2 214 24 24 ILE HG2 H 1.021 0.030 1 215 24 24 ILE C C 176.263 0.300 1 216 24 24 ILE CA C 63.797 0.300 1 217 24 24 ILE CB C 35.990 0.300 1 218 24 24 ILE CD1 C 11.856 0.300 1 219 24 24 ILE CG1 C 26.982 0.300 1 220 24 24 ILE CG2 C 15.451 0.300 1 221 24 24 ILE N N 120.046 0.300 1 222 25 25 LEU H H 8.075 0.030 1 223 25 25 LEU HA H 3.939 0.030 1 224 25 25 LEU HB2 H 1.436 0.030 2 225 25 25 LEU HB3 H 1.643 0.030 2 226 25 25 LEU HD1 H 0.819 0.030 1 227 25 25 LEU HD2 H 0.883 0.030 1 228 25 25 LEU HG H 1.608 0.030 1 229 25 25 LEU C C 177.017 0.300 1 230 25 25 LEU CA C 54.881 0.300 1 231 25 25 LEU CB C 39.393 0.300 1 232 25 25 LEU CD1 C 22.747 0.300 2 233 25 25 LEU CD2 C 20.957 0.300 2 234 25 25 LEU CG C 25.055 0.300 1 235 25 25 LEU N N 119.181 0.300 1 236 26 26 SER H H 7.975 0.030 1 237 26 26 SER HA H 3.994 0.030 1 238 26 26 SER HB2 H 3.871 0.030 1 239 26 26 SER HB3 H 3.871 0.030 1 240 26 26 SER C C 174.094 0.300 1 241 26 26 SER CA C 59.006 0.300 1 242 26 26 SER CB C 60.422 0.300 1 243 26 26 SER N N 114.851 0.300 1 244 27 27 ASP H H 7.218 0.030 1 245 27 27 ASP HA H 4.396 0.030 1 246 27 27 ASP HB2 H 2.446 0.030 2 247 27 27 ASP HB3 H 2.546 0.030 2 248 27 27 ASP C C 173.469 0.300 1 249 27 27 ASP CA C 52.998 0.300 1 250 27 27 ASP CB C 39.507 0.300 1 251 27 27 ASP N N 117.284 0.300 1 252 28 28 ASN H H 7.198 0.030 1 253 28 28 ASN HA H 4.709 0.030 1 254 28 28 ASN HB2 H 0.607 0.030 2 255 28 28 ASN HB3 H 1.780 0.030 2 256 28 28 ASN HD21 H 7.118 0.030 1 257 28 28 ASN HD22 H 7.118 0.030 1 258 28 28 ASN C C 168.748 0.300 1 259 28 28 ASN CA C 48.905 0.300 1 260 28 28 ASN CB C 36.679 0.300 1 261 28 28 ASN N N 116.665 0.300 1 262 28 28 ASN ND2 N 113.382 0.300 1 263 29 29 PRO HA H 4.388 0.030 1 264 29 29 PRO HB2 H 1.848 0.030 2 265 29 29 PRO HB3 H 2.197 0.030 2 266 29 29 PRO HD2 H 3.432 0.030 2 267 29 29 PRO HD3 H 3.166 0.030 2 268 29 29 PRO HG2 H 1.845 0.030 2 269 29 29 PRO HG3 H 1.741 0.030 2 270 29 29 PRO C C 174.856 0.300 1 271 29 29 PRO CA C 62.127 0.300 1 272 29 29 PRO CB C 29.558 0.300 1 273 29 29 PRO CD C 47.741 0.300 1 274 29 29 PRO CG C 24.762 0.300 1 275 30 30 ASP H H 8.416 0.030 1 276 30 30 ASP HA H 4.538 0.030 1 277 30 30 ASP HB2 H 2.549 0.030 2 278 30 30 ASP HB3 H 2.664 0.030 2 279 30 30 ASP C C 174.948 0.300 1 280 30 30 ASP CA C 51.776 0.300 1 281 30 30 ASP CB C 38.001 0.300 1 282 30 30 ASP N N 115.300 0.300 1 283 31 31 PHE H H 7.715 0.030 1 284 31 31 PHE HA H 4.869 0.030 1 285 31 31 PHE HB2 H 2.824 0.030 2 286 31 31 PHE HB3 H 3.329 0.030 2 287 31 31 PHE HD1 H 6.872 0.030 1 288 31 31 PHE HD2 H 6.872 0.030 1 289 31 31 PHE HE1 H 7.083 0.030 1 290 31 31 PHE HE2 H 7.083 0.030 1 291 31 31 PHE HZ H 7.080 0.030 1 292 31 31 PHE C C 173.748 0.300 1 293 31 31 PHE CA C 52.941 0.300 1 294 31 31 PHE CB C 34.772 0.300 1 295 31 31 PHE CD1 C 126.680 0.300 1 296 31 31 PHE CD2 C 126.680 0.300 1 297 31 31 PHE CE1 C 129.183 0.300 1 298 31 31 PHE CE2 C 129.183 0.300 1 299 31 31 PHE CZ C 127.297 0.300 1 300 31 31 PHE N N 120.404 0.300 1 301 32 32 SER H H 8.863 0.030 1 302 32 32 SER HA H 4.443 0.030 1 303 32 32 SER HB2 H 3.693 0.030 2 304 32 32 SER HB3 H 3.858 0.030 2 305 32 32 SER C C 171.220 0.300 1 306 32 32 SER CA C 56.259 0.300 1 307 32 32 SER CB C 62.567 0.300 1 308 32 32 SER N N 115.719 0.300 1 309 33 33 ASP H H 8.194 0.030 1 310 33 33 ASP HA H 4.728 0.030 1 311 33 33 ASP HB2 H 2.534 0.030 2 312 33 33 ASP HB3 H 2.690 0.030 2 313 33 33 ASP C C 174.473 0.300 1 314 33 33 ASP CA C 51.110 0.300 1 315 33 33 ASP CB C 40.938 0.300 1 316 33 33 ASP N N 123.098 0.300 1 317 34 34 GLU H H 8.787 0.030 1 318 34 34 GLU HA H 3.977 0.030 1 319 34 34 GLU HB2 H 1.832 0.030 2 320 34 34 GLU HB3 H 2.006 0.030 2 321 34 34 GLU HG2 H 2.267 0.030 1 322 34 34 GLU HG3 H 2.267 0.030 1 323 34 34 GLU C C 175.647 0.300 1 324 34 34 GLU CA C 56.412 0.300 1 325 34 34 GLU CB C 27.195 0.300 1 326 34 34 GLU CG C 32.381 0.300 1 327 34 34 GLU N N 127.123 0.300 1 328 35 35 ALA H H 8.694 0.030 1 329 35 35 ALA HA H 3.895 0.030 1 330 35 35 ALA HB H 1.257 0.030 1 331 35 35 ALA C C 178.657 0.300 1 332 35 35 ALA CA C 52.991 0.300 1 333 35 35 ALA CB C 15.984 0.300 1 334 35 35 ALA N N 118.648 0.300 1 335 36 36 ASP H H 7.247 0.030 1 336 36 36 ASP HA H 4.061 0.030 1 337 36 36 ASP HB2 H 2.076 0.030 2 338 36 36 ASP HB3 H 1.090 0.030 2 339 36 36 ASP C C 175.588 0.300 1 340 36 36 ASP CA C 54.774 0.300 1 341 36 36 ASP CB C 37.489 0.300 1 342 36 36 ASP N N 116.500 0.300 1 343 37 37 ILE H H 6.912 0.030 1 344 37 37 ILE HA H 3.462 0.030 1 345 37 37 ILE HB H 2.035 0.030 1 346 37 37 ILE HD1 H 0.817 0.030 1 347 37 37 ILE HG12 H 1.645 0.030 2 348 37 37 ILE HG13 H 0.891 0.030 2 349 37 37 ILE HG2 H 0.838 0.030 1 350 37 37 ILE C C 175.576 0.300 1 351 37 37 ILE CA C 63.233 0.300 1 352 37 37 ILE CB C 35.860 0.300 1 353 37 37 ILE CD1 C 11.856 0.300 1 354 37 37 ILE CG1 C 27.665 0.300 1 355 37 37 ILE CG2 C 14.859 0.300 1 356 37 37 ILE N N 121.090 0.300 1 357 38 38 ILE H H 8.404 0.030 1 358 38 38 ILE HA H 3.622 0.030 1 359 38 38 ILE HB H 1.717 0.030 1 360 38 38 ILE HD1 H 0.814 0.030 1 361 38 38 ILE HG12 H 1.051 0.030 2 362 38 38 ILE HG13 H 1.699 0.030 2 363 38 38 ILE HG2 H 0.908 0.030 1 364 38 38 ILE C C 175.337 0.300 1 365 38 38 ILE CA C 63.520 0.300 1 366 38 38 ILE CB C 36.056 0.300 1 367 38 38 ILE CD1 C 11.174 0.300 1 368 38 38 ILE CG1 C 27.446 0.300 1 369 38 38 ILE CG2 C 15.145 0.300 1 370 38 38 ILE N N 119.033 0.300 1 371 39 39 LYS H H 7.657 0.030 1 372 39 39 LYS HA H 3.865 0.030 1 373 39 39 LYS HB2 H 1.838 0.030 1 374 39 39 LYS HB3 H 1.838 0.030 1 375 39 39 LYS HD2 H 1.614 0.030 2 376 39 39 LYS HD3 H 1.699 0.030 2 377 39 39 LYS HE2 H 2.850 0.030 1 378 39 39 LYS HE3 H 2.850 0.030 1 379 39 39 LYS HG2 H 1.294 0.030 2 380 39 39 LYS HG3 H 1.453 0.030 2 381 39 39 LYS C C 176.769 0.300 1 382 39 39 LYS CA C 57.969 0.300 1 383 39 39 LYS CB C 29.993 0.300 1 384 39 39 LYS CD C 27.165 0.300 1 385 39 39 LYS CE C 39.688 0.300 1 386 39 39 LYS CG C 22.593 0.300 1 387 39 39 LYS N N 119.300 0.300 1 388 40 40 GLU H H 7.571 0.030 1 389 40 40 GLU HA H 4.474 0.030 1 390 40 40 GLU HB2 H 1.969 0.030 2 391 40 40 GLU HB3 H 2.384 0.030 2 392 40 40 GLU HG2 H 2.449 0.030 2 393 40 40 GLU HG3 H 2.072 0.030 2 394 40 40 GLU C C 176.417 0.300 1 395 40 40 GLU CA C 55.265 0.300 1 396 40 40 GLU CB C 26.460 0.300 1 397 40 40 GLU CG C 33.184 0.300 1 398 40 40 GLU N N 118.553 0.300 1 399 41 41 GLY H H 9.173 0.030 1 400 41 41 GLY HA2 H 4.042 0.030 2 401 41 41 GLY HA3 H 3.917 0.030 2 402 41 41 GLY C C 172.344 0.300 1 403 41 41 GLY CA C 46.147 0.300 1 404 41 41 GLY N N 107.882 0.300 1 405 42 42 MET H H 8.948 0.030 1 406 42 42 MET HA H 3.771 0.030 1 407 42 42 MET HB2 H 1.772 0.030 2 408 42 42 MET HB3 H 1.960 0.030 2 409 42 42 MET HE H 1.530 0.030 1 410 42 42 MET HG2 H 2.344 0.030 2 411 42 42 MET HG3 H 1.802 0.030 2 412 42 42 MET C C 176.273 0.300 1 413 42 42 MET CA C 56.564 0.300 1 414 42 42 MET CB C 29.291 0.300 1 415 42 42 MET CE C 13.834 0.300 1 416 42 42 MET CG C 30.442 0.300 1 417 42 42 MET N N 121.450 0.300 1 418 43 43 ILE H H 7.361 0.030 1 419 43 43 ILE HA H 3.481 0.030 1 420 43 43 ILE HB H 2.071 0.030 1 421 43 43 ILE HD1 H 0.831 0.030 1 422 43 43 ILE HG12 H 1.708 0.030 2 423 43 43 ILE HG13 H 0.998 0.030 2 424 43 43 ILE HG2 H 0.843 0.030 1 425 43 43 ILE C C 176.251 0.300 1 426 43 43 ILE CA C 63.058 0.300 1 427 43 43 ILE CB C 35.742 0.300 1 428 43 43 ILE CD1 C 11.238 0.300 1 429 43 43 ILE CG1 C 27.096 0.300 1 430 43 43 ILE CG2 C 14.648 0.300 1 431 43 43 ILE N N 120.094 0.300 1 432 44 44 ARG H H 7.749 0.030 1 433 44 44 ARG HA H 3.953 0.030 1 434 44 44 ARG HB2 H 1.919 0.030 2 435 44 44 ARG HB3 H 2.141 0.030 2 436 44 44 ARG HD2 H 2.965 0.030 2 437 44 44 ARG HD3 H 3.507 0.030 2 438 44 44 ARG HE H 9.357 0.030 1 439 44 44 ARG HG2 H 1.652 0.030 2 440 44 44 ARG HG3 H 2.143 0.030 2 441 44 44 ARG C C 176.856 0.300 1 442 44 44 ARG CA C 56.680 0.300 1 443 44 44 ARG CB C 29.067 0.300 1 444 44 44 ARG CD C 42.168 0.300 1 445 44 44 ARG CG C 25.903 0.300 1 446 44 44 ARG N N 117.786 0.300 1 447 44 44 ARG NE N 87.900 0.300 1 448 45 45 PHE H H 8.762 0.030 1 449 45 45 PHE HA H 3.175 0.030 1 450 45 45 PHE HB2 H 2.139 0.030 2 451 45 45 PHE HB3 H 2.506 0.030 2 452 45 45 PHE HD1 H 6.070 0.030 1 453 45 45 PHE HD2 H 6.070 0.030 1 454 45 45 PHE HE1 H 6.861 0.030 1 455 45 45 PHE HE2 H 6.861 0.030 1 456 45 45 PHE HZ H 7.169 0.030 1 457 45 45 PHE C C 174.891 0.300 1 458 45 45 PHE CA C 57.972 0.300 1 459 45 45 PHE CB C 37.724 0.300 1 460 45 45 PHE CD1 C 130.206 0.300 1 461 45 45 PHE CD2 C 130.206 0.300 1 462 45 45 PHE CE1 C 128.478 0.300 1 463 45 45 PHE CE2 C 128.478 0.300 1 464 45 45 PHE CZ C 126.523 0.300 1 465 45 45 PHE N N 120.995 0.300 1 466 46 46 ARG H H 7.490 0.030 1 467 46 46 ARG HA H 3.727 0.030 1 468 46 46 ARG HB2 H 1.800 0.030 2 469 46 46 ARG HB3 H 1.763 0.030 2 470 46 46 ARG HD2 H 3.022 0.030 1 471 46 46 ARG HD3 H 3.022 0.030 1 472 46 46 ARG HG2 H 1.647 0.030 1 473 46 46 ARG HG3 H 1.647 0.030 1 474 46 46 ARG C C 174.875 0.300 1 475 46 46 ARG CA C 55.880 0.300 1 476 46 46 ARG CB C 27.908 0.300 1 477 46 46 ARG CD C 41.390 0.300 1 478 46 46 ARG CG C 25.470 0.300 1 479 46 46 ARG N N 113.321 0.300 1 480 47 47 VAL H H 6.840 0.030 1 481 47 47 VAL HA H 4.045 0.030 1 482 47 47 VAL HB H 2.229 0.030 1 483 47 47 VAL HG1 H 0.876 0.030 1 484 47 47 VAL HG2 H 0.922 0.030 1 485 47 47 VAL C C 174.813 0.300 1 486 47 47 VAL CA C 59.691 0.300 1 487 47 47 VAL CB C 29.213 0.300 1 488 47 47 VAL CG1 C 19.144 0.300 2 489 47 47 VAL CG2 C 18.263 0.300 2 490 47 47 VAL N N 111.481 0.300 1 491 48 48 LEU H H 6.765 0.030 1 492 48 48 LEU HA H 4.119 0.030 1 493 48 48 LEU HB2 H 1.341 0.030 2 494 48 48 LEU HB3 H 1.235 0.030 2 495 48 48 LEU HD1 H 0.384 0.030 1 496 48 48 LEU HD2 H 0.764 0.030 1 497 48 48 LEU HG H 1.641 0.030 1 498 48 48 LEU C C 175.027 0.300 1 499 48 48 LEU CA C 52.806 0.300 1 500 48 48 LEU CB C 39.983 0.300 1 501 48 48 LEU CD1 C 23.373 0.300 2 502 48 48 LEU CD2 C 20.240 0.300 2 503 48 48 LEU CG C 24.350 0.300 1 504 48 48 LEU N N 120.947 0.300 1 505 49 49 SER H H 8.857 0.030 1 506 49 49 SER HA H 4.324 0.030 1 507 49 49 SER HB2 H 4.044 0.030 2 508 49 49 SER HB3 H 4.357 0.030 2 509 49 49 SER C C 172.807 0.300 1 510 49 49 SER CA C 55.485 0.300 1 511 49 49 SER CB C 62.717 0.300 1 512 49 49 SER N N 117.494 0.300 1 513 50 50 THR H H 8.750 0.030 1 514 50 50 THR HA H 3.620 0.030 1 515 50 50 THR HB H 4.028 0.030 1 516 50 50 THR HG2 H 1.171 0.030 1 517 50 50 THR C C 174.870 0.300 1 518 50 50 THR CA C 64.252 0.300 1 519 50 50 THR CB C 66.270 0.300 1 520 50 50 THR CG2 C 19.856 0.300 1 521 50 50 THR N N 116.986 0.300 1 522 51 51 GLU H H 8.573 0.030 1 523 51 51 GLU HA H 3.881 0.030 1 524 51 51 GLU HB2 H 1.886 0.030 2 525 51 51 GLU HB3 H 1.958 0.030 2 526 51 51 GLU HG2 H 2.202 0.030 2 527 51 51 GLU HG3 H 2.315 0.030 2 528 51 51 GLU C C 176.576 0.300 1 529 51 51 GLU CA C 57.793 0.300 1 530 51 51 GLU CB C 26.641 0.300 1 531 51 51 GLU CG C 34.342 0.300 1 532 51 51 GLU N N 120.249 0.300 1 533 52 52 GLU H H 7.891 0.030 1 534 52 52 GLU HA H 4.033 0.030 1 535 52 52 GLU HB2 H 2.194 0.030 2 536 52 52 GLU HB3 H 2.006 0.030 2 537 52 52 GLU HG2 H 2.388 0.030 2 538 52 52 GLU HG3 H 2.350 0.030 2 539 52 52 GLU C C 177.210 0.300 1 540 52 52 GLU CA C 57.147 0.300 1 541 52 52 GLU CB C 27.699 0.300 1 542 52 52 GLU CG C 35.256 0.300 1 543 52 52 GLU N N 120.766 0.300 1 544 53 53 ARG H H 8.328 0.030 1 545 53 53 ARG HA H 3.857 0.030 1 546 53 53 ARG HB2 H 1.705 0.030 1 547 53 53 ARG HB3 H 1.705 0.030 1 548 53 53 ARG HD2 H 2.675 0.030 2 549 53 53 ARG HD3 H 2.606 0.030 2 550 53 53 ARG HG2 H 0.494 0.030 2 551 53 53 ARG HG3 H 1.256 0.030 2 552 53 53 ARG C C 177.135 0.300 1 553 53 53 ARG CA C 58.661 0.300 1 554 53 53 ARG CB C 27.646 0.300 1 555 53 53 ARG CD C 40.607 0.300 1 556 53 53 ARG CG C 27.202 0.300 1 557 53 53 ARG N N 117.870 0.300 1 558 54 54 LYS H H 7.888 0.030 1 559 54 54 LYS HA H 4.048 0.030 1 560 54 54 LYS HB2 H 1.884 0.030 1 561 54 54 LYS HB3 H 1.884 0.030 1 562 54 54 LYS HD2 H 1.597 0.030 1 563 54 54 LYS HD3 H 1.597 0.030 1 564 54 54 LYS HE2 H 2.888 0.030 1 565 54 54 LYS HE3 H 2.888 0.030 1 566 54 54 LYS HG2 H 1.358 0.030 2 567 54 54 LYS HG3 H 1.528 0.030 2 568 54 54 LYS C C 176.087 0.300 1 569 54 54 LYS CA C 57.154 0.300 1 570 54 54 LYS CB C 29.845 0.300 1 571 54 54 LYS CD C 27.467 0.300 1 572 54 54 LYS CE C 39.860 0.300 1 573 54 54 LYS CG C 22.777 0.300 1 574 54 54 LYS N N 120.662 0.300 1 575 55 55 VAL H H 7.459 0.030 1 576 55 55 VAL HA H 3.517 0.030 1 577 55 55 VAL HB H 2.110 0.030 1 578 55 55 VAL HG1 H 0.387 0.030 1 579 55 55 VAL HG2 H 0.941 0.030 1 580 55 55 VAL C C 177.214 0.300 1 581 55 55 VAL CA C 64.375 0.300 1 582 55 55 VAL CB C 29.006 0.300 1 583 55 55 VAL CG1 C 18.197 0.300 2 584 55 55 VAL CG2 C 20.155 0.300 2 585 55 55 VAL N N 119.900 0.300 1 586 56 56 TRP H H 7.390 0.030 1 587 56 56 TRP HA H 4.217 0.030 1 588 56 56 TRP HB2 H 3.230 0.030 2 589 56 56 TRP HB3 H 3.743 0.030 2 590 56 56 TRP HD1 H 7.461 0.030 1 591 56 56 TRP HE1 H 10.964 0.030 1 592 56 56 TRP HE3 H 7.572 0.030 1 593 56 56 TRP HH2 H 7.124 0.030 1 594 56 56 TRP HZ2 H 7.634 0.030 1 595 56 56 TRP HZ3 H 6.917 0.030 1 596 56 56 TRP C C 175.748 0.300 1 597 56 56 TRP CA C 58.753 0.300 1 598 56 56 TRP CB C 26.236 0.300 1 599 56 56 TRP CD1 C 125.702 0.300 1 600 56 56 TRP CE3 C 117.685 0.300 1 601 56 56 TRP CH2 C 122.504 0.300 1 602 56 56 TRP CZ2 C 113.086 0.300 1 603 56 56 TRP CZ3 C 119.611 0.300 1 604 56 56 TRP N N 119.968 0.300 1 605 56 56 TRP NE1 N 129.669 0.300 1 606 57 57 ALA H H 8.201 0.030 1 607 57 57 ALA HA H 4.056 0.030 1 608 57 57 ALA HB H 1.597 0.030 1 609 57 57 ALA C C 178.444 0.300 1 610 57 57 ALA CA C 53.112 0.300 1 611 57 57 ALA CB C 15.963 0.300 1 612 57 57 ALA N N 121.576 0.300 1 613 58 58 ASN H H 8.427 0.030 1 614 58 58 ASN HA H 4.455 0.030 1 615 58 58 ASN HB2 H 2.741 0.030 2 616 58 58 ASN HB3 H 2.879 0.030 2 617 58 58 ASN HD21 H 6.786 0.030 2 618 58 58 ASN HD22 H 7.522 0.030 2 619 58 58 ASN C C 176.321 0.300 1 620 58 58 ASN CA C 53.220 0.300 1 621 58 58 ASN CB C 35.405 0.300 1 622 58 58 ASN N N 117.312 0.300 1 623 58 58 ASN ND2 N 111.266 0.300 1 624 59 59 LYS H H 8.132 0.030 1 625 59 59 LYS HA H 3.963 0.030 1 626 59 59 LYS HB2 H 1.921 0.030 2 627 59 59 LYS HB3 H 1.827 0.030 2 628 59 59 LYS HD2 H 1.102 0.030 2 629 59 59 LYS HD3 H 1.316 0.030 2 630 59 59 LYS HE2 H 2.355 0.030 2 631 59 59 LYS HE3 H 2.472 0.030 2 632 59 59 LYS HG2 H 1.426 0.030 2 633 59 59 LYS HG3 H 1.280 0.030 2 634 59 59 LYS C C 176.481 0.300 1 635 59 59 LYS CA C 57.099 0.300 1 636 59 59 LYS CB C 30.501 0.300 1 637 59 59 LYS CD C 27.413 0.300 1 638 59 59 LYS CE C 39.321 0.300 1 639 59 59 LYS CG C 23.380 0.300 1 640 59 59 LYS N N 122.046 0.300 1 641 60 60 ALA H H 7.820 0.030 1 642 60 60 ALA HA H 4.174 0.030 1 643 60 60 ALA HB H 1.358 0.030 1 644 60 60 ALA C C 176.228 0.300 1 645 60 60 ALA CA C 51.742 0.300 1 646 60 60 ALA CB C 16.147 0.300 1 647 60 60 ALA N N 120.874 0.300 1 648 61 61 LYS H H 7.542 0.030 1 649 61 61 LYS HA H 4.174 0.030 1 650 61 61 LYS HB2 H 1.877 0.030 1 651 61 61 LYS HB3 H 1.877 0.030 1 652 61 61 LYS HD2 H 1.663 0.030 2 653 61 61 LYS HD3 H 1.599 0.030 2 654 61 61 LYS HE2 H 2.878 0.030 1 655 61 61 LYS HE3 H 2.878 0.030 1 656 61 61 LYS HG2 H 1.557 0.030 2 657 61 61 LYS HG3 H 1.468 0.030 2 658 61 61 LYS C C 175.382 0.300 1 659 61 61 LYS CA C 55.243 0.300 1 660 61 61 LYS CB C 30.548 0.300 1 661 61 61 LYS CD C 26.918 0.300 1 662 61 61 LYS CE C 39.942 0.300 1 663 61 61 LYS CG C 22.714 0.300 1 664 61 61 LYS N N 117.172 0.300 1 665 62 62 GLY H H 7.844 0.030 1 666 62 62 GLY HA2 H 3.897 0.030 1 667 62 62 GLY HA3 H 3.897 0.030 1 668 62 62 GLY C C 172.057 0.300 1 669 62 62 GLY CA C 43.240 0.300 1 670 62 62 GLY N N 106.988 0.300 1 671 63 63 GLU H H 8.041 0.030 1 672 63 63 GLU HA H 4.297 0.030 1 673 63 63 GLU HB2 H 2.005 0.030 2 674 63 63 GLU HB3 H 1.863 0.030 2 675 63 63 GLU HG2 H 2.159 0.030 2 676 63 63 GLU HG3 H 2.211 0.030 2 677 63 63 GLU C C 174.551 0.300 1 678 63 63 GLU CA C 54.273 0.300 1 679 63 63 GLU CB C 28.033 0.300 1 680 63 63 GLU CG C 33.971 0.300 1 681 63 63 GLU N N 120.197 0.300 1 682 64 64 THR H H 8.127 0.030 1 683 64 64 THR HA H 4.249 0.030 1 684 64 64 THR HB H 4.136 0.030 1 685 64 64 THR HG2 H 1.121 0.030 1 686 64 64 THR CA C 59.670 0.300 1 687 64 64 THR CB C 67.606 0.300 1 688 64 64 THR CG2 C 19.367 0.300 1 689 64 64 THR N N 114.906 0.300 1 690 65 65 ALA H H 8.285 0.030 1 691 65 65 ALA HA H 4.276 0.030 1 692 65 65 ALA HB H 1.323 0.030 1 693 65 65 ALA CA C 50.367 0.300 1 694 65 65 ALA CB C 16.929 0.300 1 695 65 65 ALA N N 126.306 0.300 1 696 66 66 SER H H 8.241 0.030 1 697 66 66 SER HA H 4.340 0.030 1 698 66 66 SER HB2 H 3.798 0.030 1 699 66 66 SER HB3 H 3.798 0.030 1 700 66 66 SER CA C 56.137 0.300 1 701 66 66 SER CB C 61.375 0.300 1 702 66 66 SER N N 115.026 0.300 1 703 67 67 GLU H H 8.394 0.030 1 704 67 67 GLU HA H 4.226 0.030 1 705 67 67 GLU HB2 H 1.880 0.030 2 706 67 67 GLU HB3 H 1.991 0.030 2 707 67 67 GLU HG2 H 2.183 0.030 1 708 67 67 GLU HG3 H 2.183 0.030 1 709 67 67 GLU CA C 54.636 0.300 1 710 67 67 GLU CB C 28.072 0.300 1 711 67 67 GLU CG C 33.860 0.300 1 712 67 67 GLU N N 122.531 0.300 1 713 68 68 GLY H H 8.392 0.030 1 714 68 68 GLY HA2 H 3.946 0.030 1 715 68 68 GLY HA3 H 3.946 0.030 1 716 68 68 GLY CA C 43.115 0.300 1 717 68 68 GLY N N 109.366 0.300 1 718 69 69 THR H H 8.005 0.030 1 719 69 69 THR HA H 4.161 0.030 1 720 69 69 THR HB H 4.171 0.030 1 721 69 69 THR HG2 H 1.123 0.030 1 722 69 69 THR CA C 60.372 0.300 1 723 69 69 THR CB C 67.279 0.300 1 724 69 69 THR CG2 C 19.373 0.300 1 725 69 69 THR N N 113.193 0.300 1 726 70 70 GLU H H 8.451 0.030 1 727 70 70 GLU HA H 4.120 0.030 1 728 70 70 GLU HB2 H 1.882 0.030 2 729 70 70 GLU HB3 H 1.960 0.030 2 730 70 70 GLU HG2 H 2.170 0.030 1 731 70 70 GLU HG3 H 2.170 0.030 1 732 70 70 GLU CA C 54.983 0.300 1 733 70 70 GLU CB C 27.466 0.300 1 734 70 70 GLU CG C 33.925 0.300 1 735 70 70 GLU N N 122.545 0.300 1 736 71 71 ALA H H 8.133 0.030 1 737 71 71 ALA HA H 4.114 0.030 1 738 71 71 ALA HB H 1.296 0.030 1 739 71 71 ALA CA C 50.910 0.300 1 740 71 71 ALA CB C 16.566 0.300 1 741 71 71 ALA N N 123.968 0.300 1 742 72 72 LYS H H 8.004 0.030 1 743 72 72 LYS HA H 4.164 0.030 1 744 72 72 LYS HB2 H 1.676 0.030 2 745 72 72 LYS HB3 H 1.748 0.030 2 746 72 72 LYS HD2 H 1.587 0.030 1 747 72 72 LYS HD3 H 1.587 0.030 1 748 72 72 LYS HE2 H 2.881 0.030 1 749 72 72 LYS HE3 H 2.881 0.030 1 750 72 72 LYS HG2 H 1.357 0.030 2 751 72 72 LYS HG3 H 1.314 0.030 2 752 72 72 LYS CA C 54.368 0.300 1 753 72 72 LYS CB C 30.380 0.300 1 754 72 72 LYS CD C 26.754 0.300 1 755 72 72 LYS CE C 39.860 0.300 1 756 72 72 LYS CG C 22.632 0.300 1 757 72 72 LYS N N 118.940 0.300 1 758 73 73 LYS H H 8.008 0.030 1 759 73 73 LYS HA H 4.137 0.030 1 760 73 73 LYS HB2 H 1.750 0.030 2 761 73 73 LYS HB3 H 1.674 0.030 2 762 73 73 LYS CA C 54.368 0.300 1 763 73 73 LYS CB C 30.628 0.300 1 764 73 73 LYS CD C 26.918 0.300 1 765 73 73 LYS CE C 39.860 0.300 1 766 73 73 LYS CG C 22.549 0.300 1 767 73 73 LYS N N 121.237 0.300 1 768 74 74 ARG H H 8.137 0.030 1 769 74 74 ARG HA H 4.207 0.030 1 770 74 74 ARG HB2 H 1.755 0.030 2 771 74 74 ARG HB3 H 1.686 0.030 2 772 74 74 ARG HD2 H 3.110 0.030 1 773 74 74 ARG HD3 H 3.110 0.030 1 774 74 74 ARG HG2 H 1.522 0.030 2 775 74 74 ARG HG3 H 1.573 0.030 2 776 74 74 ARG CA C 53.915 0.300 1 777 74 74 ARG CB C 28.559 0.300 1 778 74 74 ARG CD C 41.034 0.300 1 779 74 74 ARG CG C 24.857 0.300 1 780 74 74 ARG N N 121.727 0.300 1 781 75 75 LYS H H 8.279 0.030 1 782 75 75 LYS HB2 H 1.635 0.030 2 783 75 75 LYS CA C 54.121 0.300 1 784 75 75 LYS CB C 30.710 0.300 1 785 75 75 LYS N N 122.719 0.300 1 786 77 77 GLY HA2 H 4.052 0.030 2 787 78 78 PRO HA H 4.384 0.030 1 788 78 78 PRO HB2 H 1.879 0.030 2 789 78 78 PRO HB3 H 2.195 0.030 2 790 78 78 PRO HD2 H 3.540 0.030 1 791 78 78 PRO HD3 H 3.540 0.030 1 792 78 78 PRO HG2 H 1.930 0.030 1 793 78 78 PRO HG3 H 1.930 0.030 1 794 78 78 PRO CA C 60.971 0.300 1 795 78 78 PRO CB C 29.891 0.300 1 796 78 78 PRO CD C 47.459 0.300 1 797 78 78 PRO CG C 24.826 0.300 1 798 80 80 SER HA H 4.403 0.030 1 799 80 80 SER HB2 H 3.812 0.030 2 800 80 80 SER CA C 55.956 0.300 1 801 80 80 SER CB C 61.637 0.300 1 802 81 81 GLY H H 7.960 0.030 1 803 81 81 GLY HA2 H 3.664 0.030 2 804 81 81 GLY HA3 H 3.703 0.030 2 805 81 81 GLY CA C 43.870 0.300 1 806 81 81 GLY N N 116.464 0.300 1 stop_ save_