data_10297 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain from human NIL-2-A zinc finger protein, transcription factor 8 ; _BMRB_accession_number 10297 _BMRB_flat_file_name bmr10297.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _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 Ohnishi S. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Harada T. . . 5 Watanabe S. . . 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" 348 "13C chemical shifts" 264 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the homeobox domain from human NIL-2-A zinc finger protein, transcription factor 8 ; _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 Ohnishi S. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Harada T. . . 5 Watanabe S. . . 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 'Transcription factor 8' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'homeobox 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 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; GSSGSSGQPPLKNLLSLLKA YYALNAQPSAEELSKIADSV NLPLDVVKKWFEKMQAGQIS VQSS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 PRO 10 PRO 11 LEU 12 LYS 13 ASN 14 LEU 15 LEU 16 SER 17 LEU 18 LEU 19 LYS 20 ALA 21 TYR 22 TYR 23 ALA 24 LEU 25 ASN 26 ALA 27 GLN 28 PRO 29 SER 30 ALA 31 GLU 32 GLU 33 LEU 34 SER 35 LYS 36 ILE 37 ALA 38 ASP 39 SER 40 VAL 41 ASN 42 LEU 43 PRO 44 LEU 45 ASP 46 VAL 47 VAL 48 LYS 49 LYS 50 TRP 51 PHE 52 GLU 53 LYS 54 MET 55 GLN 56 ALA 57 GLY 58 GLN 59 ILE 60 SER 61 VAL 62 GLN 63 SER 64 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2E19 "Solution Structure Of The Homeobox Domain From Human Nil-2- A Zinc Finger Protein, Transcription Factor 8" 100.00 64 100.00 100.00 1.94e-35 DBJ BAA03259 "deltaEF1 [Gallus gallus]" 93.75 1114 98.33 98.33 1.77e-29 DBJ BAA11178 "transcriptional repressor deltaEF1 [Gallus gallus]" 93.75 1114 98.33 98.33 1.77e-29 GB EMC89439 "Zinc finger E-box-binding homeobox 1, partial [Columba livia]" 93.75 1091 98.33 98.33 2.08e-29 GB EMP31625 "Zinc finger E-box-binding homeobox 1, partial [Chelonia mydas]" 93.75 1084 98.33 98.33 2.61e-29 GB EOA95468 "Zinc finger E-box-binding homeobox 1, partial [Anas platyrhynchos]" 93.75 1091 98.33 98.33 1.75e-29 GB KFM04765 "Zinc finger E-box-binding homeobox 1, partial [Aptenodytes forsteri]" 93.75 1074 98.33 98.33 2.01e-29 GB KFO63461 "Zinc finger E-box-binding homeobox 1, partial [Corvus brachyrhynchos]" 93.75 1073 98.33 98.33 2.33e-29 REF NP_990462 "zinc finger E-box-binding homeobox 1 [Gallus gallus]" 93.75 1114 98.33 98.33 1.77e-29 REF XP_005027918 "PREDICTED: zinc finger E-box-binding homeobox 1 isoform X1 [Anas platyrhynchos]" 93.75 1127 98.33 98.33 1.84e-29 REF XP_005027919 "PREDICTED: zinc finger E-box-binding homeobox 1 isoform X2 [Anas platyrhynchos]" 93.75 1106 98.33 98.33 1.77e-29 REF XP_005027920 "PREDICTED: zinc finger E-box-binding homeobox 1 isoform X4 [Anas platyrhynchos]" 93.75 1094 98.33 98.33 1.81e-29 REF XP_005040695 "PREDICTED: LOW QUALITY PROTEIN: zinc finger E-box-binding homeobox 1 [Ficedula albicollis]" 93.75 1112 98.33 98.33 2.82e-29 SP P36197 "RecName: Full=Zinc finger E-box-binding homeobox 1; AltName: Full=Delta EF1; AltName: Full=Delta-crystallin enhancer-binding fa" 93.75 1114 98.33 98.33 1.77e-29 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 P060417-13 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 1.0 mM '[U-13C; U-15N]' d-TrisHCl 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 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.9742 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 900 _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 296 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 'homeobox 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 4.502 0.030 1 2 6 6 SER HB2 H 3.913 0.030 1 3 6 6 SER HB3 H 3.913 0.030 1 4 6 6 SER C C 175.076 0.300 1 5 6 6 SER CA C 58.733 0.300 1 6 6 6 SER CB C 63.809 0.300 1 7 7 7 GLY H H 8.416 0.030 1 8 7 7 GLY HA2 H 3.966 0.030 1 9 7 7 GLY HA3 H 3.966 0.030 1 10 7 7 GLY C C 173.813 0.300 1 11 7 7 GLY CA C 45.226 0.300 1 12 7 7 GLY N N 110.646 0.300 1 13 8 8 GLN H H 8.187 0.030 1 14 8 8 GLN HA H 4.656 0.030 1 15 8 8 GLN HB2 H 1.928 0.030 2 16 8 8 GLN HB3 H 2.078 0.030 2 17 8 8 GLN HE21 H 7.583 0.030 2 18 8 8 GLN HE22 H 6.861 0.030 2 19 8 8 GLN HG2 H 2.383 0.030 1 20 8 8 GLN HG3 H 2.383 0.030 1 21 8 8 GLN C C 173.741 0.300 1 22 8 8 GLN CA C 53.677 0.300 1 23 8 8 GLN CB C 29.079 0.300 1 24 8 8 GLN CG C 33.430 0.300 1 25 8 8 GLN N N 120.767 0.300 1 26 8 8 GLN NE2 N 112.468 0.300 1 27 9 9 PRO HA H 4.723 0.030 1 28 9 9 PRO HB2 H 2.021 0.030 1 29 9 9 PRO HB3 H 2.021 0.030 1 30 9 9 PRO HD2 H 3.652 0.030 2 31 9 9 PRO HD3 H 3.874 0.030 2 32 9 9 PRO HG2 H 1.836 0.030 2 33 9 9 PRO HG3 H 2.365 0.030 2 34 9 9 PRO CB C 27.766 0.300 1 35 9 9 PRO CD C 50.630 0.300 1 36 9 9 PRO CG C 30.938 0.300 1 37 10 10 PRO HA H 4.444 0.030 1 38 10 10 PRO HB2 H 1.909 0.030 2 39 10 10 PRO HB3 H 2.293 0.030 2 40 10 10 PRO HD2 H 3.622 0.030 2 41 10 10 PRO HD3 H 3.846 0.030 2 42 10 10 PRO HG2 H 2.045 0.030 2 43 10 10 PRO C C 177.309 0.300 1 44 10 10 PRO CA C 63.083 0.300 1 45 10 10 PRO CB C 31.881 0.300 1 46 10 10 PRO CD C 50.463 0.300 1 47 10 10 PRO CG C 27.533 0.300 1 48 11 11 LEU H H 8.323 0.030 1 49 11 11 LEU HA H 4.105 0.030 1 50 11 11 LEU HB2 H 1.568 0.030 2 51 11 11 LEU HB3 H 1.636 0.030 2 52 11 11 LEU HD1 H 0.814 0.030 1 53 11 11 LEU HD2 H 0.848 0.030 1 54 11 11 LEU HG H 1.575 0.030 1 55 11 11 LEU C C 178.232 0.300 1 56 11 11 LEU CA C 56.572 0.300 1 57 11 11 LEU CB C 42.000 0.300 1 58 11 11 LEU CD1 C 24.557 0.300 2 59 11 11 LEU CG C 27.033 0.300 1 60 11 11 LEU N N 122.449 0.300 1 61 12 12 LYS H H 8.319 0.030 1 62 12 12 LYS HA H 3.986 0.030 1 63 12 12 LYS HB2 H 1.850 0.030 2 64 12 12 LYS HB3 H 1.759 0.030 2 65 12 12 LYS HD2 H 1.663 0.030 2 66 12 12 LYS HE2 H 2.922 0.030 2 67 12 12 LYS HG2 H 1.473 0.030 2 68 12 12 LYS HG3 H 1.383 0.030 2 69 12 12 LYS C C 177.722 0.300 1 70 12 12 LYS CA C 58.842 0.300 1 71 12 12 LYS CB C 32.388 0.300 1 72 12 12 LYS CD C 29.318 0.300 1 73 12 12 LYS CE C 41.904 0.300 1 74 12 12 LYS CG C 25.321 0.300 1 75 12 12 LYS N N 118.575 0.300 1 76 13 13 ASN H H 8.076 0.030 1 77 13 13 ASN HA H 4.597 0.030 1 78 13 13 ASN HB2 H 2.841 0.030 2 79 13 13 ASN HB3 H 2.786 0.030 2 80 13 13 ASN HD21 H 7.613 0.030 2 81 13 13 ASN HD22 H 6.999 0.030 2 82 13 13 ASN C C 176.702 0.300 1 83 13 13 ASN CA C 54.525 0.300 1 84 13 13 ASN CB C 38.035 0.300 1 85 13 13 ASN N N 117.381 0.300 1 86 13 13 ASN ND2 N 111.745 0.300 1 87 14 14 LEU H H 7.948 0.030 1 88 14 14 LEU HA H 4.099 0.030 1 89 14 14 LEU HB2 H 1.631 0.030 2 90 14 14 LEU HB3 H 1.480 0.030 2 91 14 14 LEU HD1 H 0.817 0.030 1 92 14 14 LEU HD2 H 0.881 0.030 1 93 14 14 LEU HG H 1.517 0.030 1 94 14 14 LEU C C 177.868 0.300 1 95 14 14 LEU CA C 56.861 0.300 1 96 14 14 LEU CB C 42.012 0.300 1 97 14 14 LEU CD1 C 24.211 0.300 2 98 14 14 LEU CD2 C 24.644 0.300 2 99 14 14 LEU CG C 27.145 0.300 1 100 14 14 LEU N N 121.775 0.300 1 101 15 15 LEU H H 7.996 0.030 1 102 15 15 LEU HA H 3.705 0.030 1 103 15 15 LEU HB2 H 1.503 0.030 2 104 15 15 LEU HB3 H 1.692 0.030 2 105 15 15 LEU HD1 H 0.821 0.030 1 106 15 15 LEU HD2 H 0.706 0.030 1 107 15 15 LEU HG H 1.590 0.030 1 108 15 15 LEU C C 178.887 0.300 1 109 15 15 LEU CA C 58.201 0.300 1 110 15 15 LEU CB C 41.067 0.300 1 111 15 15 LEU CD1 C 24.504 0.300 2 112 15 15 LEU CD2 C 23.548 0.300 2 113 15 15 LEU CG C 26.976 0.300 1 114 15 15 LEU N N 119.072 0.300 1 115 16 16 SER H H 7.968 0.030 1 116 16 16 SER HA H 4.064 0.030 1 117 16 16 SER HB2 H 3.874 0.030 2 118 16 16 SER HB3 H 3.922 0.030 2 119 16 16 SER C C 176.897 0.300 1 120 16 16 SER CA C 61.915 0.300 1 121 16 16 SER CB C 62.496 0.300 1 122 16 16 SER N N 113.400 0.300 1 123 17 17 LEU H H 7.487 0.030 1 124 17 17 LEU HA H 3.980 0.030 1 125 17 17 LEU HB2 H 1.666 0.030 2 126 17 17 LEU HB3 H 1.549 0.030 2 127 17 17 LEU HG H 1.348 0.030 1 128 17 17 LEU C C 178.547 0.300 1 129 17 17 LEU CA C 58.205 0.300 1 130 17 17 LEU CB C 41.973 0.300 1 131 17 17 LEU N N 122.840 0.300 1 132 18 18 LEU H H 7.950 0.030 1 133 18 18 LEU HA H 3.982 0.030 1 134 18 18 LEU HB2 H 0.852 0.030 2 135 18 18 LEU HD1 H 0.136 0.030 1 136 18 18 LEU HD2 H 0.593 0.030 1 137 18 18 LEU HG H 1.405 0.030 1 138 18 18 LEU C C 178.645 0.300 1 139 18 18 LEU CA C 58.203 0.300 1 140 18 18 LEU CB C 38.932 0.300 1 141 18 18 LEU CD1 C 25.058 0.300 2 142 18 18 LEU CD2 C 22.608 0.300 2 143 18 18 LEU CG C 26.416 0.300 1 144 18 18 LEU N N 118.407 0.300 1 145 19 19 LYS H H 8.352 0.030 1 146 19 19 LYS HA H 4.051 0.030 1 147 19 19 LYS HB2 H 1.921 0.030 1 148 19 19 LYS HB3 H 1.921 0.030 1 149 19 19 LYS HD2 H 1.692 0.030 2 150 19 19 LYS HE2 H 2.966 0.030 2 151 19 19 LYS HG2 H 1.492 0.030 2 152 19 19 LYS HG3 H 1.719 0.030 2 153 19 19 LYS C C 178.960 0.300 1 154 19 19 LYS CA C 60.537 0.300 1 155 19 19 LYS CB C 32.332 0.300 1 156 19 19 LYS CD C 29.707 0.300 1 157 19 19 LYS CE C 42.099 0.300 1 158 19 19 LYS CG C 26.329 0.300 1 159 19 19 LYS N N 118.242 0.300 1 160 20 20 ALA H H 7.717 0.030 1 161 20 20 ALA HA H 4.202 0.030 1 162 20 20 ALA HB H 1.349 0.030 1 163 20 20 ALA C C 180.732 0.300 1 164 20 20 ALA CA C 54.879 0.300 1 165 20 20 ALA CB C 17.608 0.300 1 166 20 20 ALA N N 122.505 0.300 1 167 21 21 TYR HA H 4.236 0.030 1 168 21 21 TYR HB2 H 3.351 0.030 2 169 21 21 TYR HB3 H 3.195 0.030 2 170 21 21 TYR HD1 H 7.148 0.030 1 171 21 21 TYR HD2 H 7.148 0.030 1 172 21 21 TYR HE1 H 6.685 0.030 1 173 21 21 TYR HE2 H 6.685 0.030 1 174 21 21 TYR C C 178.839 0.300 1 175 21 21 TYR CA C 63.047 0.300 1 176 21 21 TYR CB C 38.388 0.300 1 177 21 21 TYR CD1 C 133.321 0.300 1 178 21 21 TYR CD2 C 133.321 0.300 1 179 21 21 TYR CE1 C 118.079 0.300 1 180 21 21 TYR CE2 C 118.079 0.300 1 181 22 22 TYR H H 8.857 0.030 1 182 22 22 TYR HA H 4.305 0.030 1 183 22 22 TYR HB2 H 3.112 0.030 2 184 22 22 TYR HB3 H 3.185 0.030 2 185 22 22 TYR HD1 H 7.026 0.030 1 186 22 22 TYR HD2 H 7.026 0.030 1 187 22 22 TYR HE1 H 6.796 0.030 1 188 22 22 TYR HE2 H 6.796 0.030 1 189 22 22 TYR C C 176.338 0.300 1 190 22 22 TYR CA C 61.389 0.300 1 191 22 22 TYR CB C 38.790 0.300 1 192 22 22 TYR CD1 C 133.085 0.300 1 193 22 22 TYR CD2 C 133.085 0.300 1 194 22 22 TYR CE1 C 118.621 0.300 1 195 22 22 TYR CE2 C 118.621 0.300 1 196 22 22 TYR N N 122.639 0.300 1 197 23 23 ALA H H 7.762 0.030 1 198 23 23 ALA HA H 4.047 0.030 1 199 23 23 ALA HB H 1.480 0.030 1 200 23 23 ALA C C 179.179 0.300 1 201 23 23 ALA CA C 53.906 0.300 1 202 23 23 ALA CB C 18.328 0.300 1 203 23 23 ALA N N 117.361 0.300 1 204 24 24 LEU H H 7.267 0.030 1 205 24 24 LEU HA H 4.210 0.030 1 206 24 24 LEU HB2 H 1.665 0.030 2 207 24 24 LEU HB3 H 1.854 0.030 2 208 24 24 LEU HD1 H 0.875 0.030 1 209 24 24 LEU HD2 H 0.858 0.030 1 210 24 24 LEU HG H 1.743 0.030 1 211 24 24 LEU C C 177.673 0.300 1 212 24 24 LEU CA C 56.382 0.300 1 213 24 24 LEU CB C 42.933 0.300 1 214 24 24 LEU CD1 C 25.644 0.300 2 215 24 24 LEU CD2 C 23.883 0.300 2 216 24 24 LEU CG C 26.827 0.300 1 217 24 24 LEU N N 117.259 0.300 1 218 25 25 ASN H H 7.862 0.030 1 219 25 25 ASN HA H 4.466 0.030 1 220 25 25 ASN HB2 H 2.837 0.030 2 221 25 25 ASN HB3 H 2.777 0.030 2 222 25 25 ASN HD21 H 7.697 0.030 2 223 25 25 ASN HD22 H 6.517 0.030 2 224 25 25 ASN C C 173.036 0.300 1 225 25 25 ASN CA C 53.077 0.300 1 226 25 25 ASN CB C 37.853 0.300 1 227 25 25 ASN N N 116.521 0.300 1 228 25 25 ASN ND2 N 110.434 0.300 1 229 26 26 ALA H H 8.283 0.030 1 230 26 26 ALA HA H 3.905 0.030 1 231 26 26 ALA HB H 1.127 0.030 1 232 26 26 ALA C C 177.212 0.300 1 233 26 26 ALA CA C 53.323 0.300 1 234 26 26 ALA CB C 19.548 0.300 1 235 26 26 ALA N N 126.202 0.300 1 236 27 27 GLN H H 7.729 0.030 1 237 27 27 GLN HA H 4.619 0.030 1 238 27 27 GLN HB2 H 2.063 0.030 2 239 27 27 GLN HB3 H 1.823 0.030 2 240 27 27 GLN HE21 H 6.801 0.030 2 241 27 27 GLN HE22 H 7.501 0.030 2 242 27 27 GLN HG2 H 2.253 0.030 1 243 27 27 GLN HG3 H 2.253 0.030 1 244 27 27 GLN C C 172.090 0.300 1 245 27 27 GLN CA C 52.706 0.300 1 246 27 27 GLN CB C 29.636 0.300 1 247 27 27 GLN CG C 33.729 0.300 1 248 27 27 GLN N N 113.721 0.300 1 249 27 27 GLN NE2 N 111.647 0.300 1 250 28 28 PRO HA H 4.485 0.030 1 251 28 28 PRO HB2 H 1.597 0.030 2 252 28 28 PRO HB3 H 1.829 0.030 2 253 28 28 PRO HD2 H 3.150 0.030 2 254 28 28 PRO HD3 H 3.360 0.030 2 255 28 28 PRO HG2 H 1.129 0.030 2 256 28 28 PRO HG3 H 0.853 0.030 2 257 28 28 PRO C C 177.018 0.300 1 258 28 28 PRO CA C 62.562 0.300 1 259 28 28 PRO CB C 31.813 0.300 1 260 28 28 PRO CD C 50.460 0.300 1 261 28 28 PRO CG C 26.922 0.300 1 262 29 29 SER H H 9.097 0.030 1 263 29 29 SER HA H 4.398 0.030 1 264 29 29 SER HB2 H 4.034 0.030 2 265 29 29 SER HB3 H 4.391 0.030 2 266 29 29 SER C C 174.372 0.300 1 267 29 29 SER CA C 56.986 0.300 1 268 29 29 SER CB C 65.661 0.300 1 269 29 29 SER N N 118.156 0.300 1 270 30 30 ALA H H 8.916 0.030 1 271 30 30 ALA HA H 3.965 0.030 1 272 30 30 ALA HB H 1.450 0.030 1 273 30 30 ALA C C 180.732 0.300 1 274 30 30 ALA CA C 56.044 0.300 1 275 30 30 ALA CB C 17.925 0.300 1 276 30 30 ALA N N 123.162 0.300 1 277 31 31 GLU H H 8.591 0.030 1 278 31 31 GLU HA H 4.011 0.030 1 279 31 31 GLU HB2 H 1.889 0.030 2 280 31 31 GLU HB3 H 2.045 0.030 2 281 31 31 GLU HG2 H 2.286 0.030 2 282 31 31 GLU C C 179.519 0.300 1 283 31 31 GLU CA C 59.788 0.300 1 284 31 31 GLU CB C 29.349 0.300 1 285 31 31 GLU CG C 36.782 0.300 1 286 31 31 GLU N N 118.280 0.300 1 287 32 32 GLU H H 7.702 0.030 1 288 32 32 GLU HA H 3.844 0.030 1 289 32 32 GLU HB2 H 1.863 0.030 2 290 32 32 GLU HB3 H 2.220 0.030 2 291 32 32 GLU HG2 H 2.277 0.030 2 292 32 32 GLU C C 179.446 0.300 1 293 32 32 GLU CA C 59.408 0.300 1 294 32 32 GLU CB C 29.829 0.300 1 295 32 32 GLU CG C 37.546 0.300 1 296 32 32 GLU N N 121.025 0.300 1 297 33 33 LEU H H 8.679 0.030 1 298 33 33 LEU HA H 3.645 0.030 1 299 33 33 LEU HB2 H 1.146 0.030 2 300 33 33 LEU HB3 H 1.826 0.030 2 301 33 33 LEU HD1 H 0.625 0.030 1 302 33 33 LEU HD2 H 0.308 0.030 1 303 33 33 LEU HG H 1.300 0.030 1 304 33 33 LEU C C 178.378 0.300 1 305 33 33 LEU CA C 58.218 0.300 1 306 33 33 LEU CB C 42.339 0.300 1 307 33 33 LEU CD1 C 25.741 0.300 2 308 33 33 LEU CD2 C 24.673 0.300 2 309 33 33 LEU CG C 26.838 0.300 1 310 33 33 LEU N N 119.993 0.300 1 311 34 34 SER H H 7.727 0.030 1 312 34 34 SER HA H 4.116 0.030 1 313 34 34 SER HB2 H 3.994 0.030 2 314 34 34 SER HB3 H 3.949 0.030 2 315 34 34 SER C C 176.484 0.300 1 316 34 34 SER CA C 62.063 0.300 1 317 34 34 SER CB C 62.725 0.300 1 318 34 34 SER N N 113.341 0.300 1 319 35 35 LYS H H 7.525 0.030 1 320 35 35 LYS HA H 4.122 0.030 1 321 35 35 LYS HB2 H 1.966 0.030 1 322 35 35 LYS HB3 H 1.966 0.030 1 323 35 35 LYS HD2 H 1.583 0.030 1 324 35 35 LYS HD3 H 1.583 0.030 1 325 35 35 LYS HE2 H 2.930 0.030 1 326 35 35 LYS HE3 H 2.930 0.030 1 327 35 35 LYS HG2 H 1.631 0.030 2 328 35 35 LYS HG3 H 1.463 0.030 2 329 35 35 LYS C C 180.368 0.300 1 330 35 35 LYS CA C 59.502 0.300 1 331 35 35 LYS CB C 32.414 0.300 1 332 35 35 LYS CD C 29.366 0.300 1 333 35 35 LYS CE C 42.076 0.300 1 334 35 35 LYS CG C 25.553 0.300 1 335 35 35 LYS N N 120.812 0.300 1 336 36 36 ILE H H 8.219 0.030 1 337 36 36 ILE HA H 3.280 0.030 1 338 36 36 ILE HB H 1.672 0.030 1 339 36 36 ILE HD1 H 0.418 0.030 1 340 36 36 ILE HG12 H -0.040 0.030 2 341 36 36 ILE HG13 H 1.508 0.030 2 342 36 36 ILE HG2 H 0.427 0.030 1 343 36 36 ILE C C 178.159 0.300 1 344 36 36 ILE CA C 65.794 0.300 1 345 36 36 ILE CB C 38.008 0.300 1 346 36 36 ILE CD1 C 13.715 0.300 1 347 36 36 ILE CG1 C 28.365 0.300 1 348 36 36 ILE CG2 C 16.883 0.300 1 349 36 36 ILE N N 122.240 0.300 1 350 37 37 ALA H H 8.438 0.030 1 351 37 37 ALA HA H 3.862 0.030 1 352 37 37 ALA HB H 1.545 0.030 1 353 37 37 ALA C C 179.276 0.300 1 354 37 37 ALA CA C 56.223 0.300 1 355 37 37 ALA CB C 17.186 0.300 1 356 37 37 ALA N N 122.058 0.300 1 357 38 38 ASP H H 8.072 0.030 1 358 38 38 ASP HA H 4.495 0.030 1 359 38 38 ASP HB2 H 2.796 0.030 2 360 38 38 ASP HB3 H 2.658 0.030 2 361 38 38 ASP C C 178.984 0.300 1 362 38 38 ASP CA C 56.857 0.300 1 363 38 38 ASP CB C 40.813 0.300 1 364 38 38 ASP N N 115.894 0.300 1 365 39 39 SER H H 7.954 0.030 1 366 39 39 SER HA H 4.247 0.030 1 367 39 39 SER HB2 H 4.056 0.030 2 368 39 39 SER C C 175.610 0.300 1 369 39 39 SER CA C 61.580 0.300 1 370 39 39 SER CB C 63.373 0.300 1 371 39 39 SER N N 114.432 0.300 1 372 40 40 VAL H H 7.850 0.030 1 373 40 40 VAL HA H 4.456 0.030 1 374 40 40 VAL HB H 2.429 0.030 1 375 40 40 VAL HG1 H 0.944 0.030 1 376 40 40 VAL HG2 H 0.888 0.030 1 377 40 40 VAL C C 174.445 0.300 1 378 40 40 VAL CA C 60.913 0.300 1 379 40 40 VAL CB C 31.778 0.300 1 380 40 40 VAL CG1 C 22.279 0.300 2 381 40 40 VAL CG2 C 19.316 0.300 2 382 40 40 VAL N N 111.349 0.300 1 383 41 41 ASN H H 7.804 0.030 1 384 41 41 ASN HA H 4.348 0.030 1 385 41 41 ASN HB2 H 2.669 0.030 2 386 41 41 ASN HB3 H 3.221 0.030 2 387 41 41 ASN HD21 H 7.489 0.030 2 388 41 41 ASN HD22 H 6.804 0.030 2 389 41 41 ASN C C 174.008 0.300 1 390 41 41 ASN CA C 54.066 0.300 1 391 41 41 ASN CB C 37.225 0.300 1 392 41 41 ASN N N 117.410 0.300 1 393 41 41 ASN ND2 N 111.879 0.300 1 394 42 42 LEU H H 7.904 0.030 1 395 42 42 LEU HA H 5.001 0.030 1 396 42 42 LEU HB2 H 1.208 0.030 2 397 42 42 LEU HB3 H 1.168 0.030 2 398 42 42 LEU HD1 H 0.694 0.030 1 399 42 42 LEU HD2 H 0.981 0.030 1 400 42 42 LEU HG H 1.586 0.030 1 401 42 42 LEU C C 173.886 0.300 1 402 42 42 LEU CA C 51.484 0.300 1 403 42 42 LEU CB C 45.928 0.300 1 404 42 42 LEU CD1 C 26.253 0.300 2 405 42 42 LEU CD2 C 23.317 0.300 2 406 42 42 LEU CG C 26.199 0.300 1 407 42 42 LEU N N 117.347 0.300 1 408 43 43 PRO HA H 4.423 0.030 1 409 43 43 PRO HB2 H 1.887 0.030 2 410 43 43 PRO HB3 H 2.522 0.030 2 411 43 43 PRO HD2 H 3.336 0.030 2 412 43 43 PRO HD3 H 3.927 0.030 2 413 43 43 PRO HG2 H 2.160 0.030 2 414 43 43 PRO HG3 H 2.047 0.030 2 415 43 43 PRO C C 178.013 0.300 1 416 43 43 PRO CA C 62.234 0.300 1 417 43 43 PRO CB C 32.616 0.300 1 418 43 43 PRO CD C 50.805 0.300 1 419 43 43 PRO CG C 28.032 0.300 1 420 44 44 LEU H H 8.758 0.030 1 421 44 44 LEU HA H 3.780 0.030 1 422 44 44 LEU HB2 H 1.761 0.030 2 423 44 44 LEU HB3 H 1.641 0.030 2 424 44 44 LEU HD1 H 0.845 0.030 1 425 44 44 LEU HD2 H 0.906 0.030 1 426 44 44 LEU HG H 1.515 0.030 1 427 44 44 LEU C C 178.208 0.300 1 428 44 44 LEU CA C 58.592 0.300 1 429 44 44 LEU CB C 41.747 0.300 1 430 44 44 LEU CD1 C 23.563 0.300 2 431 44 44 LEU CD2 C 25.434 0.300 2 432 44 44 LEU CG C 27.205 0.300 1 433 44 44 LEU N N 125.847 0.300 1 434 45 45 ASP H H 8.822 0.030 1 435 45 45 ASP HA H 4.270 0.030 1 436 45 45 ASP HB2 H 2.594 0.030 1 437 45 45 ASP HB3 H 2.594 0.030 1 438 45 45 ASP C C 178.523 0.300 1 439 45 45 ASP CA C 57.621 0.300 1 440 45 45 ASP CB C 40.612 0.300 1 441 45 45 ASP N N 114.687 0.300 1 442 46 46 VAL H H 7.098 0.030 1 443 46 46 VAL HA H 3.707 0.030 1 444 46 46 VAL HB H 2.227 0.030 1 445 46 46 VAL HG1 H 1.001 0.030 1 446 46 46 VAL HG2 H 1.098 0.030 1 447 46 46 VAL C C 178.353 0.300 1 448 46 46 VAL CA C 65.770 0.300 1 449 46 46 VAL CB C 32.179 0.300 1 450 46 46 VAL CG1 C 21.433 0.300 2 451 46 46 VAL CG2 C 22.617 0.300 2 452 46 46 VAL N N 118.849 0.300 1 453 47 47 VAL H H 7.429 0.030 1 454 47 47 VAL HA H 3.633 0.030 1 455 47 47 VAL HB H 2.169 0.030 1 456 47 47 VAL HG1 H 1.062 0.030 1 457 47 47 VAL HG2 H 0.877 0.030 1 458 47 47 VAL C C 177.698 0.300 1 459 47 47 VAL CA C 67.413 0.300 1 460 47 47 VAL CB C 32.258 0.300 1 461 47 47 VAL CG1 C 22.104 0.300 2 462 47 47 VAL CG2 C 24.282 0.300 2 463 47 47 VAL N N 120.616 0.300 1 464 48 48 LYS H H 9.110 0.030 1 465 48 48 LYS HA H 4.005 0.030 1 466 48 48 LYS HB2 H 1.775 0.030 2 467 48 48 LYS HB3 H 1.963 0.030 2 468 48 48 LYS HD2 H 1.646 0.030 2 469 48 48 LYS HE2 H 2.911 0.030 1 470 48 48 LYS HE3 H 2.911 0.030 1 471 48 48 LYS HG2 H 1.493 0.030 2 472 48 48 LYS HG3 H 1.386 0.030 2 473 48 48 LYS C C 178.717 0.300 1 474 48 48 LYS CA C 60.749 0.300 1 475 48 48 LYS CB C 33.140 0.300 1 476 48 48 LYS CD C 29.835 0.300 1 477 48 48 LYS CE C 42.043 0.300 1 478 48 48 LYS CG C 25.321 0.300 1 479 48 48 LYS N N 119.748 0.300 1 480 49 49 LYS H H 7.901 0.030 1 481 49 49 LYS HA H 4.116 0.030 1 482 49 49 LYS HB2 H 1.981 0.030 2 483 49 49 LYS HB3 H 1.874 0.030 2 484 49 49 LYS HD2 H 1.607 0.030 2 485 49 49 LYS HE2 H 2.924 0.030 1 486 49 49 LYS HE3 H 2.924 0.030 1 487 49 49 LYS HG2 H 1.448 0.030 2 488 49 49 LYS HG3 H 1.581 0.030 2 489 49 49 LYS C C 178.863 0.300 1 490 49 49 LYS CA C 59.087 0.300 1 491 49 49 LYS CB C 32.085 0.300 1 492 49 49 LYS CD C 29.277 0.300 1 493 49 49 LYS CE C 42.125 0.300 1 494 49 49 LYS CG C 25.658 0.300 1 495 49 49 LYS N N 117.787 0.300 1 496 50 50 TRP H H 8.060 0.030 1 497 50 50 TRP HA H 4.089 0.030 1 498 50 50 TRP HB2 H 3.430 0.030 2 499 50 50 TRP HB3 H 3.194 0.030 2 500 50 50 TRP HD1 H 7.108 0.030 1 501 50 50 TRP HE1 H 9.706 0.030 1 502 50 50 TRP HE3 H 6.041 0.030 1 503 50 50 TRP HH2 H 6.527 0.030 1 504 50 50 TRP HZ2 H 7.089 0.030 1 505 50 50 TRP HZ3 H 6.953 0.030 1 506 50 50 TRP C C 178.547 0.300 1 507 50 50 TRP CA C 62.575 0.300 1 508 50 50 TRP CB C 28.755 0.300 1 509 50 50 TRP CD1 C 126.473 0.300 1 510 50 50 TRP CE3 C 120.897 0.300 1 511 50 50 TRP CH2 C 122.840 0.300 1 512 50 50 TRP CZ2 C 114.244 0.300 1 513 50 50 TRP CZ3 C 120.708 0.300 1 514 50 50 TRP N N 121.102 0.300 1 515 50 50 TRP NE1 N 127.914 0.300 1 516 51 51 PHE H H 8.695 0.030 1 517 51 51 PHE HA H 3.750 0.030 1 518 51 51 PHE HB2 H 3.172 0.030 2 519 51 51 PHE HB3 H 3.305 0.030 2 520 51 51 PHE HD1 H 7.671 0.030 1 521 51 51 PHE HD2 H 7.671 0.030 1 522 51 51 PHE HE1 H 7.434 0.030 1 523 51 51 PHE HE2 H 7.434 0.030 1 524 51 51 PHE HZ H 7.292 0.030 1 525 51 51 PHE C C 178.620 0.300 1 526 51 51 PHE CA C 63.542 0.300 1 527 51 51 PHE CB C 39.112 0.300 1 528 51 51 PHE CD1 C 132.234 0.300 1 529 51 51 PHE CD2 C 132.234 0.300 1 530 51 51 PHE CE1 C 131.471 0.300 1 531 51 51 PHE CE2 C 131.471 0.300 1 532 51 51 PHE CZ C 129.368 0.300 1 533 51 51 PHE N N 118.773 0.300 1 534 52 52 GLU H H 8.399 0.030 1 535 52 52 GLU HA H 4.077 0.030 1 536 52 52 GLU HB2 H 2.043 0.030 2 537 52 52 GLU HB3 H 2.213 0.030 2 538 52 52 GLU HG2 H 2.557 0.030 2 539 52 52 GLU HG3 H 2.226 0.030 2 540 52 52 GLU C C 179.834 0.300 1 541 52 52 GLU CA C 59.657 0.300 1 542 52 52 GLU CB C 29.561 0.300 1 543 52 52 GLU CG C 36.782 0.300 1 544 52 52 GLU N N 118.518 0.300 1 545 53 53 LYS H H 7.957 0.030 1 546 53 53 LYS HA H 3.981 0.030 1 547 53 53 LYS HB2 H 1.653 0.030 2 548 53 53 LYS HB3 H 1.797 0.030 2 549 53 53 LYS HD2 H 1.492 0.030 1 550 53 53 LYS HD3 H 1.492 0.030 1 551 53 53 LYS HE2 H 2.788 0.030 2 552 53 53 LYS HG2 H 1.305 0.030 1 553 53 53 LYS HG3 H 1.305 0.030 1 554 53 53 LYS C C 179.349 0.300 1 555 53 53 LYS CA C 59.087 0.300 1 556 53 53 LYS CB C 32.091 0.300 1 557 53 53 LYS CD C 29.200 0.300 1 558 53 53 LYS CE C 42.027 0.300 1 559 53 53 LYS CG C 25.163 0.300 1 560 53 53 LYS N N 120.286 0.300 1 561 54 54 MET H H 7.762 0.030 1 562 54 54 MET HA H 3.853 0.030 1 563 54 54 MET HB2 H 1.221 0.030 2 564 54 54 MET HB3 H 1.012 0.030 2 565 54 54 MET HE H 1.364 0.030 1 566 54 54 MET C C 179.349 0.300 1 567 54 54 MET CA C 57.071 0.300 1 568 54 54 MET CB C 31.158 0.300 1 569 54 54 MET CE C 16.667 0.300 1 570 54 54 MET CG C 31.261 0.300 1 571 54 54 MET N N 119.874 0.300 1 572 55 55 GLN H H 8.284 0.030 1 573 55 55 GLN HA H 4.172 0.030 1 574 55 55 GLN HB2 H 2.095 0.030 2 575 55 55 GLN HB3 H 2.330 0.030 2 576 55 55 GLN HE21 H 7.084 0.030 2 577 55 55 GLN HE22 H 8.108 0.030 2 578 55 55 GLN HG2 H 2.710 0.030 2 579 55 55 GLN HG3 H 2.811 0.030 2 580 55 55 GLN C C 178.013 0.300 1 581 55 55 GLN CA C 57.906 0.300 1 582 55 55 GLN CB C 28.308 0.300 1 583 55 55 GLN CG C 34.182 0.300 1 584 55 55 GLN N N 119.171 0.300 1 585 55 55 GLN NE2 N 110.489 0.300 1 586 56 56 ALA H H 7.665 0.030 1 587 56 56 ALA HA H 4.289 0.030 1 588 56 56 ALA HB H 1.464 0.030 1 589 56 56 ALA C C 178.572 0.300 1 590 56 56 ALA CA C 53.041 0.300 1 591 56 56 ALA CB C 18.784 0.300 1 592 56 56 ALA N N 120.252 0.300 1 593 57 57 GLY H H 7.802 0.030 1 594 57 57 GLY HA2 H 3.945 0.030 1 595 57 57 GLY HA3 H 3.945 0.030 1 596 57 57 GLY C C 174.809 0.300 1 597 57 57 GLY CA C 45.748 0.300 1 598 57 57 GLY N N 106.361 0.300 1 599 58 58 GLN H H 7.961 0.030 1 600 58 58 GLN HA H 4.280 0.030 1 601 58 58 GLN HB2 H 1.913 0.030 2 602 58 58 GLN HB3 H 2.137 0.030 2 603 58 58 GLN HE21 H 7.476 0.030 2 604 58 58 GLN HE22 H 6.835 0.030 2 605 58 58 GLN HG2 H 2.325 0.030 1 606 58 58 GLN HG3 H 2.325 0.030 1 607 58 58 GLN C C 175.877 0.300 1 608 58 58 GLN CA C 55.890 0.300 1 609 58 58 GLN CB C 29.211 0.300 1 610 58 58 GLN CG C 33.847 0.300 1 611 58 58 GLN N N 118.690 0.300 1 612 58 58 GLN NE2 N 112.319 0.300 1 613 59 59 ILE H H 7.828 0.030 1 614 59 59 ILE HA H 4.178 0.030 1 615 59 59 ILE HB H 1.802 0.030 1 616 59 59 ILE HD1 H 0.756 0.030 1 617 59 59 ILE HG12 H 1.066 0.030 2 618 59 59 ILE HG13 H 1.317 0.030 2 619 59 59 ILE HG2 H 0.849 0.030 1 620 59 59 ILE C C 175.950 0.300 1 621 59 59 ILE CA C 60.796 0.300 1 622 59 59 ILE CB C 38.884 0.300 1 623 59 59 ILE CD1 C 12.831 0.300 1 624 59 59 ILE CG1 C 27.145 0.300 1 625 59 59 ILE CG2 C 17.569 0.300 1 626 59 59 ILE N N 119.986 0.300 1 627 60 60 SER H H 8.358 0.030 1 628 60 60 SER HA H 4.485 0.030 1 629 60 60 SER HB2 H 3.823 0.030 1 630 60 60 SER HB3 H 3.823 0.030 1 631 60 60 SER C C 174.542 0.300 1 632 60 60 SER CA C 58.000 0.300 1 633 60 60 SER CB C 63.869 0.300 1 634 60 60 SER N N 119.848 0.300 1 635 61 61 VAL H H 8.223 0.030 1 636 61 61 VAL HA H 4.132 0.030 1 637 61 61 VAL HB H 2.088 0.030 1 638 61 61 VAL HG1 H 0.895 0.030 1 639 61 61 VAL HG2 H 0.900 0.030 1 640 61 61 VAL C C 176.023 0.300 1 641 61 61 VAL CA C 62.254 0.300 1 642 61 61 VAL CB C 32.702 0.300 1 643 61 61 VAL CG1 C 21.218 0.300 2 644 61 61 VAL CG2 C 20.372 0.300 2 645 61 61 VAL N N 121.796 0.300 1 646 62 62 GLN H H 8.405 0.030 1 647 62 62 GLN HA H 4.389 0.030 1 648 62 62 GLN HB2 H 1.976 0.030 2 649 62 62 GLN HB3 H 2.117 0.030 2 650 62 62 GLN HE21 H 6.839 0.030 2 651 62 62 GLN HE22 H 7.542 0.030 2 652 62 62 GLN HG2 H 2.368 0.030 1 653 62 62 GLN HG3 H 2.368 0.030 1 654 62 62 GLN C C 175.901 0.300 1 655 62 62 GLN CA C 55.792 0.300 1 656 62 62 GLN CB C 29.530 0.300 1 657 62 62 GLN CG C 33.774 0.300 1 658 62 62 GLN N N 123.728 0.300 1 659 62 62 GLN NE2 N 112.652 0.300 1 660 63 63 SER H H 8.396 0.030 1 661 63 63 SER HA H 4.482 0.030 1 662 63 63 SER HB2 H 3.918 0.030 2 663 63 63 SER HB3 H 3.861 0.030 2 664 63 63 SER C C 173.668 0.300 1 665 63 63 SER CA C 58.445 0.300 1 666 63 63 SER CB C 63.964 0.300 1 667 63 63 SER N N 118.100 0.300 1 668 64 64 SER H H 8.014 0.030 1 669 64 64 SER HA H 4.269 0.030 1 670 64 64 SER HB2 H 3.847 0.030 2 671 64 64 SER C C 178.645 0.300 1 672 64 64 SER CA C 60.042 0.300 1 673 64 64 SER CB C 64.837 0.300 1 674 64 64 SER N N 123.200 0.300 1 stop_ save_