data_10045 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of homeobox domain of Arabidopsis thaliana hypothetical protein F22K18.140 ; _BMRB_accession_number 10045 _BMRB_flat_file_name bmr10045.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-09 _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 Kaneno D. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 450 "13C chemical shifts" 326 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of homeobox domain of Arabidopsis thaliana hypothetical protein F22K18.140 ; _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 Kaneno D. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'ZF-HD homeobox family protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ZF-HD homeobox family protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSSGSSGSNPSSSGGTTKRF RTKFTAEQKEKMLAFAERLG WRIQKHDDVAVEQFCAETGV RRQVLKIWMHNNKNSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 ASN 10 PRO 11 SER 12 SER 13 SER 14 GLY 15 GLY 16 THR 17 THR 18 LYS 19 ARG 20 PHE 21 ARG 22 THR 23 LYS 24 PHE 25 THR 26 ALA 27 GLU 28 GLN 29 LYS 30 GLU 31 LYS 32 MET 33 LEU 34 ALA 35 PHE 36 ALA 37 GLU 38 ARG 39 LEU 40 GLY 41 TRP 42 ARG 43 ILE 44 GLN 45 LYS 46 HIS 47 ASP 48 ASP 49 VAL 50 ALA 51 VAL 52 GLU 53 GLN 54 PHE 55 CYS 56 ALA 57 GLU 58 THR 59 GLY 60 VAL 61 ARG 62 ARG 63 GLN 64 VAL 65 LEU 66 LYS 67 ILE 68 TRP 69 MET 70 HIS 71 ASN 72 ASN 73 LYS 74 ASN 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 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 1WH7 "Solution Structure Of Homeobox Domain Of Arabidopsis Thaliana Hypothetical Protein F22k18.140" 100.00 80 100.00 100.00 8.69e-51 DBJ BAJ34347 "unnamed protein product [Thellungiella halophila]" 86.25 227 97.10 97.10 9.60e-39 EMBL CAA22997 "putative protein [Arabidopsis thaliana]" 85.00 220 100.00 100.00 2.23e-41 EMBL CAB79376 "putative protein [Arabidopsis thaliana]" 85.00 220 100.00 100.00 2.23e-41 GB AAL27510 "AT4g24660/F22K18_140 [Arabidopsis thaliana]" 85.00 220 100.00 100.00 2.23e-41 GB AAM78073 "AT4g24660/F22K18_140 [Arabidopsis thaliana]" 85.00 220 100.00 100.00 2.23e-41 GB AEE84939 "ZF-HD homeobox protein [Arabidopsis thaliana]" 85.00 220 100.00 100.00 2.23e-41 GB EFH43913 "ATHB22/MEE68 [Arabidopsis lyrata subsp. lyrata]" 86.25 214 98.55 98.55 1.29e-39 GB EOA19177 "hypothetical protein CARUB_v10007856mg [Capsella rubella]" 86.25 224 97.10 97.10 7.42e-39 REF NP_194197 "ZF-HD homeobox protein [Arabidopsis thaliana]" 85.00 220 100.00 100.00 2.23e-41 REF XP_002867654 "ATHB22/MEE68 [Arabidopsis lyrata subsp. lyrata]" 86.25 214 98.55 98.55 1.29e-39 REF XP_006286279 "hypothetical protein CARUB_v10007856mg [Capsella rubella]" 86.25 224 97.10 97.10 7.42e-39 REF XP_006413402 "hypothetical protein EUTSA_v10026163mg [Eutrema salsugineum]" 86.25 227 97.10 97.10 9.60e-39 REF XP_010433740 "PREDICTED: zinc-finger homeodomain protein 2-like [Camelina sativa]" 86.25 225 98.55 98.55 1.59e-39 SP Q9SB61 "RecName: Full=Zinc-finger homeodomain protein 2; Short=AtZHD2; AltName: Full=Homeobox protein 22; Short=AtHB-22; AltName: Full=" 85.00 220 100.00 100.00 2.23e-41 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 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 P030107-41 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 0.9 mM '[U-13C; U-15N]' phosphate 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.811 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 6.0 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_ _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 'ZF-HD homeobox family protein' _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 5 5 SER HA H 4.587 0.030 1 2 5 5 SER HB2 H 3.912 0.030 1 3 5 5 SER HB3 H 3.912 0.030 1 4 5 5 SER C C 174.857 0.300 1 5 5 5 SER CA C 58.348 0.300 1 6 5 5 SER CB C 63.926 0.300 1 7 6 6 SER H H 8.597 0.030 1 8 6 6 SER HA H 4.540 0.030 1 9 6 6 SER HB2 H 3.925 0.030 1 10 6 6 SER HB3 H 3.925 0.030 1 11 6 6 SER C C 175.112 0.300 1 12 6 6 SER CA C 58.625 0.300 1 13 6 6 SER CB C 63.903 0.300 1 14 6 6 SER N N 118.141 0.300 1 15 7 7 GLY H H 8.433 0.030 1 16 7 7 GLY HA2 H 4.035 0.030 1 17 7 7 GLY HA3 H 4.035 0.030 1 18 7 7 GLY C C 174.153 0.300 1 19 7 7 GLY CA C 45.421 0.300 1 20 7 7 GLY N N 110.827 0.300 1 21 8 8 SER H H 8.195 0.030 1 22 8 8 SER HA H 4.483 0.030 1 23 8 8 SER HB2 H 3.847 0.030 1 24 8 8 SER HB3 H 3.847 0.030 1 25 8 8 SER C C 174.011 0.300 1 26 8 8 SER CA C 58.249 0.300 1 27 8 8 SER CB C 63.863 0.300 1 28 8 8 SER N N 115.373 0.300 1 29 9 9 ASN H H 8.504 0.030 1 30 9 9 ASN HA H 5.032 0.030 1 31 9 9 ASN HB2 H 2.881 0.030 2 32 9 9 ASN HB3 H 2.729 0.030 2 33 9 9 ASN HD21 H 7.636 0.030 2 34 9 9 ASN HD22 H 6.964 0.030 2 35 9 9 ASN C C 173.461 0.300 1 36 9 9 ASN CA C 51.521 0.300 1 37 9 9 ASN CB C 38.995 0.300 1 38 9 9 ASN N N 121.361 0.300 1 39 9 9 ASN ND2 N 113.311 0.300 1 40 10 10 PRO HA H 4.470 0.030 1 41 10 10 PRO HB2 H 2.318 0.030 2 42 10 10 PRO HB3 H 2.316 0.030 2 43 10 10 PRO HG2 H 2.018 0.030 1 44 10 10 PRO HG3 H 2.018 0.030 1 45 10 10 PRO HD2 H 3.827 0.030 2 46 10 10 PRO HD3 H 3.761 0.030 2 47 10 10 PRO C C 177.273 0.300 1 48 10 10 PRO CA C 63.679 0.300 1 49 10 10 PRO CB C 32.118 0.300 1 50 10 10 PRO CG C 27.257 0.300 1 51 10 10 PRO CD C 50.742 0.300 1 52 11 11 SER H H 8.506 0.030 1 53 11 11 SER HA H 4.535 0.030 1 54 11 11 SER HB2 H 3.912 0.030 1 55 11 11 SER HB3 H 3.912 0.030 1 56 11 11 SER C C 174.699 0.300 1 57 11 11 SER CA C 58.323 0.300 1 58 11 11 SER CB C 63.844 0.300 1 59 11 11 SER N N 116.295 0.300 1 60 12 12 SER H H 8.483 0.030 1 61 12 12 SER HA H 4.496 0.030 1 62 12 12 SER HB2 H 3.899 0.030 1 63 12 12 SER HB3 H 3.899 0.030 1 64 12 12 SER C C 173.995 0.300 1 65 12 12 SER CA C 58.323 0.300 1 66 12 12 SER CB C 64.091 0.300 1 67 12 12 SER N N 118.023 0.300 1 68 13 13 SER H H 8.065 0.030 1 69 13 13 SER HA H 4.535 0.030 1 70 13 13 SER HB2 H 3.925 0.030 1 71 13 13 SER HB3 H 3.925 0.030 1 72 13 13 SER C C 175.112 0.300 1 73 13 13 SER CA C 58.570 0.300 1 74 13 13 SER CB C 63.762 0.300 1 75 13 13 SER N N 116.845 0.300 1 76 14 14 GLY H H 8.487 0.030 1 77 14 14 GLY HA2 H 4.029 0.030 1 78 14 14 GLY HA3 H 4.029 0.030 1 79 14 14 GLY C C 174.748 0.300 1 80 14 14 GLY CA C 45.491 0.300 1 81 14 14 GLY N N 110.999 0.300 1 82 15 15 GLY H H 8.312 0.030 1 83 15 15 GLY HA2 H 4.055 0.030 1 84 15 15 GLY HA3 H 4.055 0.030 1 85 15 15 GLY C C 174.650 0.300 1 86 15 15 GLY CA C 45.404 0.300 1 87 15 15 GLY N N 108.845 0.300 1 88 16 16 THR H H 8.188 0.030 1 89 16 16 THR HA H 4.443 0.030 1 90 16 16 THR HB H 4.299 0.030 1 91 16 16 THR HG2 H 1.227 0.030 1 92 16 16 THR C C 175.052 0.300 1 93 16 16 THR CA C 62.011 0.300 1 94 16 16 THR CB C 69.808 0.300 1 95 16 16 THR CG2 C 21.488 0.300 1 96 16 16 THR N N 113.580 0.300 1 97 17 17 THR H H 8.210 0.030 1 98 17 17 THR HA H 4.350 0.030 1 99 17 17 THR HB H 4.233 0.030 1 100 17 17 THR HG2 H 1.225 0.030 1 101 17 17 THR C C 174.626 0.300 1 102 17 17 THR CA C 62.275 0.300 1 103 17 17 THR CB C 69.778 0.300 1 104 17 17 THR CG2 C 21.653 0.300 1 105 17 17 THR N N 116.752 0.300 1 106 18 18 LYS H H 8.334 0.030 1 107 18 18 LYS HA H 4.292 0.030 1 108 18 18 LYS HB2 H 1.746 0.030 1 109 18 18 LYS HB3 H 1.746 0.030 1 110 18 18 LYS HG2 H 1.432 0.030 2 111 18 18 LYS HG3 H 1.364 0.030 2 112 18 18 LYS HD2 H 1.666 0.030 1 113 18 18 LYS HD3 H 1.666 0.030 1 114 18 18 LYS HE2 H 2.985 0.030 1 115 18 18 LYS HE3 H 2.985 0.030 1 116 18 18 LYS C C 176.348 0.300 1 117 18 18 LYS CA C 56.538 0.300 1 118 18 18 LYS CB C 32.919 0.300 1 119 18 18 LYS CG C 24.784 0.300 1 120 18 18 LYS CD C 28.987 0.300 1 121 18 18 LYS CE C 42.172 0.300 1 122 18 18 LYS N N 124.116 0.300 1 123 19 19 ARG H H 8.222 0.030 1 124 19 19 ARG HA H 4.293 0.030 1 125 19 19 ARG HB2 H 1.699 0.030 1 126 19 19 ARG HB3 H 1.699 0.030 1 127 19 19 ARG HG2 H 1.524 0.030 2 128 19 19 ARG HG3 H 1.487 0.030 2 129 19 19 ARG HD2 H 3.148 0.030 1 130 19 19 ARG HD3 H 3.148 0.030 1 131 19 19 ARG C C 175.889 0.300 1 132 19 19 ARG CA C 56.140 0.300 1 133 19 19 ARG CB C 30.901 0.300 1 134 19 19 ARG CG C 26.927 0.300 1 135 19 19 ARG CD C 43.325 0.300 1 136 19 19 ARG N N 121.800 0.300 1 137 20 20 PHE H H 8.272 0.030 1 138 20 20 PHE HA H 4.682 0.030 1 139 20 20 PHE HB2 H 3.191 0.030 2 140 20 20 PHE HB3 H 3.050 0.030 2 141 20 20 PHE HD1 H 7.306 0.030 1 142 20 20 PHE HD2 H 7.306 0.030 1 143 20 20 PHE HE1 H 7.385 0.030 1 144 20 20 PHE HE2 H 7.385 0.030 1 145 20 20 PHE HZ H 7.348 0.030 1 146 20 20 PHE C C 175.544 0.300 1 147 20 20 PHE CA C 57.561 0.300 1 148 20 20 PHE CB C 39.759 0.300 1 149 20 20 PHE CD1 C 131.883 0.300 1 150 20 20 PHE CD2 C 131.883 0.300 1 151 20 20 PHE CE1 C 131.628 0.300 1 152 20 20 PHE CE2 C 131.628 0.300 1 153 20 20 PHE CZ C 129.770 0.300 1 154 20 20 PHE N N 121.289 0.300 1 155 21 21 ARG H H 8.333 0.030 1 156 21 21 ARG HA H 4.414 0.030 1 157 21 21 ARG HB2 H 1.868 0.030 2 158 21 21 ARG HB3 H 1.781 0.030 2 159 21 21 ARG HG2 H 1.636 0.030 2 160 21 21 ARG HG3 H 1.577 0.030 2 161 21 21 ARG HD2 H 3.209 0.030 1 162 21 21 ARG HD3 H 3.209 0.030 1 163 21 21 ARG C C 175.999 0.300 1 164 21 21 ARG CA C 56.104 0.300 1 165 21 21 ARG CB C 31.096 0.300 1 166 21 21 ARG CG C 27.157 0.300 1 167 21 21 ARG CD C 43.408 0.300 1 168 21 21 ARG N N 123.117 0.300 1 169 22 22 THR H H 8.081 0.030 1 170 22 22 THR HA H 4.197 0.030 1 171 22 22 THR HB H 4.001 0.030 1 172 22 22 THR HG2 H 1.059 0.030 1 173 22 22 THR C C 173.695 0.300 1 174 22 22 THR CA C 62.164 0.300 1 175 22 22 THR CB C 69.923 0.300 1 176 22 22 THR CG2 C 21.900 0.300 1 177 22 22 THR N N 116.425 0.300 1 178 23 23 LYS H H 8.161 0.030 1 179 23 23 LYS HA H 4.297 0.030 1 180 23 23 LYS HB2 H 1.715 0.030 2 181 23 23 LYS HB3 H 1.621 0.030 2 182 23 23 LYS HG2 H 1.277 0.030 2 183 23 23 LYS HG3 H 1.371 0.030 2 184 23 23 LYS HD2 H 1.669 0.030 1 185 23 23 LYS HD3 H 1.669 0.030 1 186 23 23 LYS HE2 H 2.981 0.030 1 187 23 23 LYS HE3 H 2.981 0.030 1 188 23 23 LYS C C 175.398 0.300 1 189 23 23 LYS CA C 55.920 0.300 1 190 23 23 LYS CB C 33.383 0.300 1 191 23 23 LYS CG C 24.620 0.300 1 192 23 23 LYS CD C 29.069 0.300 1 193 23 23 LYS CE C 42.172 0.300 1 194 23 23 LYS N N 124.543 0.300 1 195 24 24 PHE H H 8.028 0.030 1 196 24 24 PHE HA H 5.026 0.030 1 197 24 24 PHE HB2 H 3.193 0.030 2 198 24 24 PHE HB3 H 2.694 0.030 2 199 24 24 PHE HD1 H 7.151 0.030 1 200 24 24 PHE HD2 H 7.151 0.030 1 201 24 24 PHE HE1 H 7.272 0.030 1 202 24 24 PHE HE2 H 7.272 0.030 1 203 24 24 PHE HZ H 7.159 0.030 1 204 24 24 PHE C C 176.848 0.300 1 205 24 24 PHE CA C 56.634 0.300 1 206 24 24 PHE CB C 41.325 0.300 1 207 24 24 PHE CD1 C 131.826 0.300 1 208 24 24 PHE CD2 C 131.826 0.300 1 209 24 24 PHE CE1 C 131.471 0.300 1 210 24 24 PHE CE2 C 131.471 0.300 1 211 24 24 PHE CZ C 129.270 0.300 1 212 24 24 PHE N N 120.419 0.300 1 213 25 25 THR H H 8.973 0.030 1 214 25 25 THR HA H 4.484 0.030 1 215 25 25 THR HB H 4.817 0.030 1 216 25 25 THR HG2 H 1.345 0.030 1 217 25 25 THR C C 175.253 0.300 1 218 25 25 THR CA C 60.859 0.300 1 219 25 25 THR CB C 70.908 0.300 1 220 25 25 THR CG2 C 21.900 0.300 1 221 25 25 THR N N 113.735 0.300 1 222 26 26 ALA H H 9.012 0.030 1 223 26 26 ALA HA H 4.127 0.030 1 224 26 26 ALA HB H 1.541 0.030 1 225 26 26 ALA C C 180.451 0.300 1 226 26 26 ALA CA C 55.726 0.300 1 227 26 26 ALA CB C 18.004 0.300 1 228 26 26 ALA N N 124.163 0.300 1 229 27 27 GLU H H 8.648 0.030 1 230 27 27 GLU HA H 4.106 0.030 1 231 27 27 GLU HB2 H 1.919 0.030 2 232 27 27 GLU HB3 H 2.120 0.030 2 233 27 27 GLU HG2 H 2.329 0.030 2 234 27 27 GLU HG3 H 2.282 0.030 2 235 27 27 GLU C C 179.185 0.300 1 236 27 27 GLU CA C 59.695 0.300 1 237 27 27 GLU CB C 29.418 0.300 1 238 27 27 GLU CG C 36.729 0.300 1 239 27 27 GLU N N 117.866 0.300 1 240 28 28 GLN H H 7.866 0.030 1 241 28 28 GLN HA H 3.706 0.030 1 242 28 28 GLN HB2 H 2.520 0.030 2 243 28 28 GLN HB3 H 1.645 0.030 2 244 28 28 GLN HG2 H 2.625 0.030 2 245 28 28 GLN HG3 H 2.212 0.030 2 246 28 28 GLN HE21 H 7.462 0.030 2 247 28 28 GLN HE22 H 6.812 0.030 2 248 28 28 GLN C C 178.126 0.300 1 249 28 28 GLN CA C 59.554 0.300 1 250 28 28 GLN CB C 28.593 0.300 1 251 28 28 GLN CG C 35.332 0.300 1 252 28 28 GLN N N 118.589 0.300 1 253 28 28 GLN NE2 N 110.496 0.300 1 254 29 29 LYS H H 8.383 0.030 1 255 29 29 LYS HA H 3.556 0.030 1 256 29 29 LYS HB2 H 1.983 0.030 2 257 29 29 LYS HB3 H 1.886 0.030 2 258 29 29 LYS HG2 H 1.568 0.030 2 259 29 29 LYS HG3 H 1.367 0.030 2 260 29 29 LYS HD2 H 1.856 0.030 1 261 29 29 LYS HD3 H 1.856 0.030 1 262 29 29 LYS HE2 H 3.120 0.030 2 263 29 29 LYS HE3 H 3.074 0.030 2 264 29 29 LYS C C 178.321 0.300 1 265 29 29 LYS CA C 60.198 0.300 1 266 29 29 LYS CB C 31.849 0.300 1 267 29 29 LYS CG C 25.581 0.300 1 268 29 29 LYS CD C 29.463 0.300 1 269 29 29 LYS CE C 42.026 0.300 1 270 29 29 LYS N N 118.605 0.300 1 271 30 30 GLU H H 7.976 0.030 1 272 30 30 GLU HA H 4.054 0.030 1 273 30 30 GLU HB2 H 2.174 0.030 1 274 30 30 GLU HB3 H 2.174 0.030 1 275 30 30 GLU HG2 H 2.482 0.030 2 276 30 30 GLU HG3 H 2.348 0.030 2 277 30 30 GLU C C 179.952 0.300 1 278 30 30 GLU CA C 59.695 0.300 1 279 30 30 GLU CB C 29.541 0.300 1 280 30 30 GLU CG C 36.156 0.300 1 281 30 30 GLU N N 118.393 0.300 1 282 31 31 LYS H H 7.878 0.030 1 283 31 31 LYS HA H 4.190 0.030 1 284 31 31 LYS HB2 H 1.973 0.030 2 285 31 31 LYS HB3 H 1.924 0.030 2 286 31 31 LYS HG2 H 1.744 0.030 2 287 31 31 LYS HG3 H 1.517 0.030 2 288 31 31 LYS HD2 H 1.517 0.030 2 289 31 31 LYS HD3 H 1.594 0.030 2 290 31 31 LYS HE2 H 2.898 0.030 1 291 31 31 LYS HE3 H 2.898 0.030 1 292 31 31 LYS C C 179.984 0.300 1 293 31 31 LYS CA C 59.554 0.300 1 294 31 31 LYS CB C 32.576 0.300 1 295 31 31 LYS CG C 26.185 0.300 1 296 31 31 LYS CD C 29.481 0.300 1 297 31 31 LYS CE C 42.257 0.300 1 298 31 31 LYS N N 119.040 0.300 1 299 32 32 MET H H 8.712 0.030 1 300 32 32 MET HA H 3.723 0.030 1 301 32 32 MET HB2 H 1.320 0.030 2 302 32 32 MET HB3 H 1.059 0.030 2 303 32 32 MET HG2 H 2.341 0.030 2 304 32 32 MET HG3 H 1.762 0.030 2 305 32 32 MET HE H 0.123 0.030 1 306 32 32 MET C C 176.750 0.300 1 307 32 32 MET CA C 60.242 0.300 1 308 32 32 MET CB C 33.057 0.300 1 309 32 32 MET CG C 31.605 0.300 1 310 32 32 MET CE C 13.797 0.300 1 311 32 32 MET N N 120.969 0.300 1 312 33 33 LEU H H 8.117 0.030 1 313 33 33 LEU HA H 4.191 0.030 1 314 33 33 LEU HB2 H 1.927 0.030 1 315 33 33 LEU HB3 H 1.927 0.030 1 316 33 33 LEU HG H 1.914 0.030 1 317 33 33 LEU HD1 H 1.258 0.030 1 318 33 33 LEU HD2 H 1.328 0.030 1 319 33 33 LEU C C 178.199 0.300 1 320 33 33 LEU CA C 58.654 0.300 1 321 33 33 LEU CB C 42.190 0.300 1 322 33 33 LEU CG C 27.504 0.300 1 323 33 33 LEU CD1 C 25.024 0.300 2 324 33 33 LEU CD2 C 24.802 0.300 2 325 33 33 LEU N N 119.863 0.300 1 326 34 34 ALA H H 7.413 0.030 1 327 34 34 ALA HA H 4.168 0.030 1 328 34 34 ALA HB H 1.544 0.030 1 329 34 34 ALA C C 180.549 0.300 1 330 34 34 ALA CA C 54.774 0.300 1 331 34 34 ALA CB C 18.169 0.300 1 332 34 34 ALA N N 118.967 0.300 1 333 35 35 PHE H H 8.069 0.030 1 334 35 35 PHE HA H 4.169 0.030 1 335 35 35 PHE HB2 H 2.829 0.030 2 336 35 35 PHE HB3 H 2.230 0.030 2 337 35 35 PHE HD1 H 6.512 0.030 1 338 35 35 PHE HD2 H 6.512 0.030 1 339 35 35 PHE HE1 H 6.905 0.030 1 340 35 35 PHE HE2 H 6.905 0.030 1 341 35 35 PHE HZ H 6.719 0.030 1 342 35 35 PHE C C 176.251 0.300 1 343 35 35 PHE CA C 60.348 0.300 1 344 35 35 PHE CB C 40.336 0.300 1 345 35 35 PHE CD1 C 130.913 0.300 1 346 35 35 PHE CD2 C 130.913 0.300 1 347 35 35 PHE CE1 C 130.300 0.300 1 348 35 35 PHE CE2 C 130.300 0.300 1 349 35 35 PHE CZ C 128.337 0.300 1 350 35 35 PHE N N 120.699 0.300 1 351 36 36 ALA H H 8.554 0.030 1 352 36 36 ALA HA H 3.185 0.030 1 353 36 36 ALA HB H 0.259 0.030 1 354 36 36 ALA C C 179.786 0.300 1 355 36 36 ALA CA C 55.100 0.300 1 356 36 36 ALA CB C 16.892 0.300 1 357 36 36 ALA N N 120.760 0.300 1 358 37 37 GLU H H 7.760 0.030 1 359 37 37 GLU HA H 3.811 0.030 1 360 37 37 GLU HB2 H 2.206 0.030 2 361 37 37 GLU HB3 H 2.052 0.030 2 362 37 37 GLU HG2 H 2.522 0.030 2 363 37 37 GLU HG3 H 2.479 0.030 2 364 37 37 GLU C C 180.244 0.300 1 365 37 37 GLU CA C 59.342 0.300 1 366 37 37 GLU CB C 29.500 0.300 1 367 37 37 GLU CG C 36.321 0.300 1 368 37 37 GLU N N 115.822 0.300 1 369 38 38 ARG H H 7.555 0.030 1 370 38 38 ARG HA H 4.021 0.030 1 371 38 38 ARG HB2 H 1.929 0.030 1 372 38 38 ARG HB3 H 1.929 0.030 1 373 38 38 ARG HG2 H 1.771 0.030 2 374 38 38 ARG HG3 H 1.568 0.030 2 375 38 38 ARG HD2 H 3.207 0.030 2 376 38 38 ARG HD3 H 3.179 0.030 2 377 38 38 ARG C C 178.393 0.300 1 378 38 38 ARG CA C 59.128 0.300 1 379 38 38 ARG CB C 29.623 0.300 1 380 38 38 ARG CG C 27.210 0.300 1 381 38 38 ARG CD C 43.985 0.300 1 382 38 38 ARG N N 121.740 0.300 1 383 39 39 LEU H H 7.564 0.030 1 384 39 39 LEU HA H 4.064 0.030 1 385 39 39 LEU HB2 H 2.074 0.030 2 386 39 39 LEU HB3 H 1.044 0.030 2 387 39 39 LEU HG H 0.984 0.030 1 388 39 39 LEU HD1 H 0.053 0.030 1 389 39 39 LEU HD2 H 0.455 0.030 1 390 39 39 LEU C C 177.759 0.300 1 391 39 39 LEU CA C 55.416 0.300 1 392 39 39 LEU CB C 41.124 0.300 1 393 39 39 LEU CG C 27.257 0.300 1 394 39 39 LEU CD1 C 24.867 0.300 2 395 39 39 LEU CD2 C 22.553 0.300 2 396 39 39 LEU N N 118.733 0.300 1 397 40 40 GLY H H 7.744 0.030 1 398 40 40 GLY HA2 H 3.971 0.030 1 399 40 40 GLY HA3 H 3.971 0.030 1 400 40 40 GLY C C 175.828 0.300 1 401 40 40 GLY CA C 47.308 0.300 1 402 40 40 GLY N N 108.810 0.300 1 403 41 41 TRP H H 8.631 0.030 1 404 41 41 TRP HA H 3.563 0.030 1 405 41 41 TRP HB2 H 3.516 0.030 2 406 41 41 TRP HB3 H 3.305 0.030 2 407 41 41 TRP HD1 H 7.090 0.030 1 408 41 41 TRP HE1 H 10.406 0.030 1 409 41 41 TRP HE3 H 7.477 0.030 1 410 41 41 TRP HZ2 H 7.527 0.030 1 411 41 41 TRP HZ3 H 6.462 0.030 1 412 41 41 TRP HH2 H 6.975 0.030 1 413 41 41 TRP C C 173.376 0.300 1 414 41 41 TRP CA C 59.560 0.300 1 415 41 41 TRP CB C 24.584 0.300 1 416 41 41 TRP CD1 C 127.238 0.300 1 417 41 41 TRP CE3 C 119.704 0.300 1 418 41 41 TRP CZ2 C 114.724 0.300 1 419 41 41 TRP CZ3 C 122.343 0.300 1 420 41 41 TRP CH2 C 124.854 0.300 1 421 41 41 TRP N N 110.408 0.300 1 422 41 41 TRP NE1 N 129.960 0.300 1 423 42 42 ARG H H 7.202 0.030 1 424 42 42 ARG HA H 4.588 0.030 1 425 42 42 ARG HB2 H 1.871 0.030 2 426 42 42 ARG HB3 H 1.762 0.030 2 427 42 42 ARG HG2 H 1.562 0.030 1 428 42 42 ARG HG3 H 1.562 0.030 1 429 42 42 ARG HD2 H 3.151 0.030 1 430 42 42 ARG HD3 H 3.151 0.030 1 431 42 42 ARG C C 172.477 0.300 1 432 42 42 ARG CA C 54.915 0.300 1 433 42 42 ARG CB C 32.960 0.300 1 434 42 42 ARG CG C 25.866 0.300 1 435 42 42 ARG CD C 43.902 0.300 1 436 42 42 ARG N N 115.655 0.300 1 437 43 43 ILE H H 8.414 0.030 1 438 43 43 ILE HA H 4.259 0.030 1 439 43 43 ILE HB H 1.676 0.030 1 440 43 43 ILE HG12 H 0.726 0.030 2 441 43 43 ILE HG13 H 1.534 0.030 2 442 43 43 ILE HG2 H 0.864 0.030 1 443 43 43 ILE HD1 H 0.819 0.030 1 444 43 43 ILE C C 176.496 0.300 1 445 43 43 ILE CA C 61.146 0.300 1 446 43 43 ILE CB C 39.322 0.300 1 447 43 43 ILE CG1 C 27.764 0.300 1 448 43 43 ILE CG2 C 18.592 0.300 1 449 43 43 ILE CD1 C 13.569 0.300 1 450 43 43 ILE N N 119.156 0.300 1 451 44 44 GLN H H 10.055 0.030 1 452 44 44 GLN HA H 4.650 0.030 1 453 44 44 GLN HB2 H 2.110 0.030 2 454 44 44 GLN HB3 H 1.433 0.030 2 455 44 44 GLN HG2 H 2.358 0.030 2 456 44 44 GLN HG3 H 2.091 0.030 2 457 44 44 GLN HE21 H 8.366 0.030 2 458 44 44 GLN HE22 H 7.007 0.030 2 459 44 44 GLN C C 177.749 0.300 1 460 44 44 GLN CA C 54.456 0.300 1 461 44 44 GLN CB C 31.661 0.300 1 462 44 44 GLN CG C 35.070 0.300 1 463 44 44 GLN N N 129.131 0.300 1 464 44 44 GLN NE2 N 114.113 0.300 1 465 45 45 LYS H H 8.981 0.030 1 466 45 45 LYS HA H 4.070 0.030 1 467 45 45 LYS HB2 H 1.929 0.030 1 468 45 45 LYS HB3 H 1.929 0.030 1 469 45 45 LYS HG2 H 1.485 0.030 1 470 45 45 LYS HG3 H 1.485 0.030 1 471 45 45 LYS HE2 H 3.027 0.030 1 472 45 45 LYS HE3 H 3.027 0.030 1 473 45 45 LYS C C 176.326 0.300 1 474 45 45 LYS CA C 59.824 0.300 1 475 45 45 LYS CB C 31.624 0.300 1 476 45 45 LYS CG C 24.712 0.300 1 477 45 45 LYS CD C 28.740 0.300 1 478 45 45 LYS CE C 42.172 0.300 1 479 45 45 LYS N N 124.104 0.300 1 480 46 46 HIS H H 7.865 0.030 1 481 46 46 HIS HA H 4.664 0.030 1 482 46 46 HIS HB2 H 3.448 0.030 2 483 46 46 HIS HB3 H 3.117 0.030 2 484 46 46 HIS HD2 H 7.087 0.030 1 485 46 46 HIS HE1 H 7.955 0.030 1 486 46 46 HIS C C 175.947 0.300 1 487 46 46 HIS CA C 57.067 0.300 1 488 46 46 HIS CB C 28.929 0.300 1 489 46 46 HIS CD2 C 119.470 0.300 1 490 46 46 HIS CE1 C 137.771 0.300 1 491 46 46 HIS N N 112.097 0.300 1 492 47 47 ASP H H 7.769 0.030 1 493 47 47 ASP HA H 4.950 0.030 1 494 47 47 ASP HB2 H 2.915 0.030 2 495 47 47 ASP HB3 H 2.823 0.030 2 496 47 47 ASP C C 175.484 0.300 1 497 47 47 ASP CA C 55.197 0.300 1 498 47 47 ASP CB C 42.240 0.300 1 499 47 47 ASP N N 120.098 0.300 1 500 48 48 ASP H H 7.532 0.030 1 501 48 48 ASP HA H 4.239 0.030 1 502 48 48 ASP HB2 H 2.901 0.030 2 503 48 48 ASP HB3 H 2.790 0.030 2 504 48 48 ASP C C 177.955 0.300 1 505 48 48 ASP CA C 59.448 0.300 1 506 48 48 ASP CB C 41.325 0.300 1 507 48 48 ASP N N 120.009 0.300 1 508 49 49 VAL H H 8.352 0.030 1 509 49 49 VAL HA H 3.781 0.030 1 510 49 49 VAL HB H 2.111 0.030 1 511 49 49 VAL HG1 H 1.113 0.030 1 512 49 49 VAL HG2 H 0.996 0.030 1 513 49 49 VAL C C 178.211 0.300 1 514 49 49 VAL CA C 66.715 0.300 1 515 49 49 VAL CB C 31.560 0.300 1 516 49 49 VAL CG1 C 22.724 0.300 2 517 49 49 VAL CG2 C 21.000 0.300 2 518 49 49 VAL N N 119.012 0.300 1 519 50 50 ALA H H 8.156 0.030 1 520 50 50 ALA HA H 4.311 0.030 1 521 50 50 ALA HB H 1.711 0.030 1 522 50 50 ALA C C 181.741 0.300 1 523 50 50 ALA CA C 55.127 0.300 1 524 50 50 ALA CB C 18.144 0.300 1 525 50 50 ALA N N 123.465 0.300 1 526 51 51 VAL H H 8.879 0.030 1 527 51 51 VAL HA H 3.839 0.030 1 528 51 51 VAL HB H 2.360 0.030 1 529 51 51 VAL HG1 H 1.187 0.030 1 530 51 51 VAL HG2 H 1.025 0.030 1 531 51 51 VAL C C 177.456 0.300 1 532 51 51 VAL CA C 66.774 0.300 1 533 51 51 VAL CB C 32.055 0.300 1 534 51 51 VAL CG1 C 24.174 0.300 2 535 51 51 VAL CG2 C 22.261 0.300 2 536 51 51 VAL N N 119.519 0.300 1 537 52 52 GLU H H 8.563 0.030 1 538 52 52 GLU HA H 4.021 0.030 1 539 52 52 GLU HB2 H 2.213 0.030 1 540 52 52 GLU HB3 H 2.213 0.030 1 541 52 52 GLU HG2 H 2.405 0.030 1 542 52 52 GLU HG3 H 2.405 0.030 1 543 52 52 GLU C C 180.134 0.300 1 544 52 52 GLU CA C 59.818 0.300 1 545 52 52 GLU CB C 29.129 0.300 1 546 52 52 GLU CG C 35.991 0.300 1 547 52 52 GLU N N 120.947 0.300 1 548 53 53 GLN H H 8.259 0.030 1 549 53 53 GLN HA H 4.096 0.030 1 550 53 53 GLN HB2 H 2.225 0.030 2 551 53 53 GLN HB3 H 2.116 0.030 2 552 53 53 GLN HG2 H 2.567 0.030 2 553 53 53 GLN HG3 H 2.382 0.030 2 554 53 53 GLN HE21 H 7.629 0.030 2 555 53 53 GLN HE22 H 6.803 0.030 2 556 53 53 GLN C C 177.785 0.300 1 557 53 53 GLN CA C 58.990 0.300 1 558 53 53 GLN CB C 28.156 0.300 1 559 53 53 GLN CG C 33.688 0.300 1 560 53 53 GLN N N 119.014 0.300 1 561 53 53 GLN NE2 N 112.017 0.300 1 562 54 54 PHE H H 8.246 0.030 1 563 54 54 PHE HA H 3.975 0.030 1 564 54 54 PHE HB2 H 2.695 0.030 2 565 54 54 PHE HB3 H 2.445 0.030 2 566 54 54 PHE HD1 H 6.816 0.030 1 567 54 54 PHE HD2 H 6.816 0.030 1 568 54 54 PHE HE1 H 6.824 0.030 1 569 54 54 PHE HE2 H 6.824 0.030 1 570 54 54 PHE HZ H 6.581 0.030 1 571 54 54 PHE C C 179.313 0.300 1 572 54 54 PHE CA C 61.777 0.300 1 573 54 54 PHE CB C 39.677 0.300 1 574 54 54 PHE CD1 C 131.940 0.300 1 575 54 54 PHE CD2 C 131.940 0.300 1 576 54 54 PHE CE1 C 130.478 0.300 1 577 54 54 PHE CE2 C 130.478 0.300 1 578 54 54 PHE CZ C 127.785 0.300 1 579 54 54 PHE N N 121.527 0.300 1 580 55 55 CYS H H 8.999 0.030 1 581 55 55 CYS HA H 3.900 0.030 1 582 55 55 CYS HB2 H 3.344 0.030 2 583 55 55 CYS HB3 H 2.877 0.030 2 584 55 55 CYS C C 177.443 0.300 1 585 55 55 CYS CA C 64.594 0.300 1 586 55 55 CYS CB C 27.739 0.300 1 587 55 55 CYS N N 121.360 0.300 1 588 56 56 ALA H H 7.866 0.030 1 589 56 56 ALA HA H 4.091 0.030 1 590 56 56 ALA HB H 1.505 0.030 1 591 56 56 ALA C C 180.029 0.300 1 592 56 56 ALA CA C 54.835 0.300 1 593 56 56 ALA CB C 18.169 0.300 1 594 56 56 ALA N N 122.325 0.300 1 595 57 57 GLU H H 7.945 0.030 1 596 57 57 GLU HA H 4.009 0.030 1 597 57 57 GLU HB2 H 2.024 0.030 2 598 57 57 GLU HB3 H 1.876 0.030 2 599 57 57 GLU HG2 H 2.342 0.030 2 600 57 57 GLU HG3 H 2.128 0.030 2 601 57 57 GLU C C 178.621 0.300 1 602 57 57 GLU CA C 58.643 0.300 1 603 57 57 GLU CB C 30.160 0.300 1 604 57 57 GLU CG C 36.239 0.300 1 605 57 57 GLU N N 116.754 0.300 1 606 58 58 THR H H 7.730 0.030 1 607 58 58 THR HA H 4.075 0.030 1 608 58 58 THR HB H 3.604 0.030 1 609 58 58 THR HG2 H 0.646 0.030 1 610 58 58 THR C C 176.265 0.300 1 611 58 58 THR CA C 63.015 0.300 1 612 58 58 THR CB C 71.089 0.300 1 613 58 58 THR CG2 C 21.433 0.300 1 614 58 58 THR N N 107.530 0.300 1 615 59 59 GLY H H 7.878 0.030 1 616 59 59 GLY HA2 H 4.101 0.030 2 617 59 59 GLY HA3 H 3.768 0.030 2 618 59 59 GLY C C 174.007 0.300 1 619 59 59 GLY CA C 45.933 0.300 1 620 59 59 GLY N N 111.492 0.300 1 621 60 60 VAL H H 7.404 0.030 1 622 60 60 VAL HA H 4.168 0.030 1 623 60 60 VAL HB H 1.890 0.030 1 624 60 60 VAL HG1 H 0.985 0.030 1 625 60 60 VAL HG2 H 0.826 0.030 1 626 60 60 VAL C C 174.777 0.300 1 627 60 60 VAL CA C 61.283 0.300 1 628 60 60 VAL CB C 33.526 0.300 1 629 60 60 VAL CG1 C 21.390 0.300 2 630 60 60 VAL CG2 C 21.079 0.300 2 631 60 60 VAL N N 120.673 0.300 1 632 61 61 ARG H H 8.292 0.030 1 633 61 61 ARG HA H 4.407 0.030 1 634 61 61 ARG HB2 H 1.806 0.030 2 635 61 61 ARG HB3 H 2.167 0.030 2 636 61 61 ARG HG2 H 1.895 0.030 2 637 61 61 ARG HG3 H 1.815 0.030 2 638 61 61 ARG HD2 H 3.294 0.030 1 639 61 61 ARG HD3 H 3.294 0.030 1 640 61 61 ARG C C 178.256 0.300 1 641 61 61 ARG CA C 55.893 0.300 1 642 61 61 ARG CB C 31.107 0.300 1 643 61 61 ARG CG C 28.062 0.300 1 644 61 61 ARG CD C 43.408 0.300 1 645 61 61 ARG N N 123.837 0.300 1 646 62 62 ARG H H 9.182 0.030 1 647 62 62 ARG HA H 3.870 0.030 1 648 62 62 ARG HB2 H 2.020 0.030 2 649 62 62 ARG HB3 H 1.851 0.030 2 650 62 62 ARG HG2 H 1.607 0.030 2 651 62 62 ARG HG3 H 1.466 0.030 2 652 62 62 ARG HD2 H 3.250 0.030 1 653 62 62 ARG HD3 H 3.250 0.030 1 654 62 62 ARG C C 177.722 0.300 1 655 62 62 ARG CA C 60.970 0.300 1 656 62 62 ARG CB C 30.188 0.300 1 657 62 62 ARG CG C 27.458 0.300 1 658 62 62 ARG CD C 43.930 0.300 1 659 62 62 ARG N N 125.440 0.300 1 660 63 63 GLN H H 9.056 0.030 1 661 63 63 GLN HA H 4.094 0.030 1 662 63 63 GLN HB2 H 2.154 0.030 2 663 63 63 GLN HB3 H 2.050 0.030 2 664 63 63 GLN HG2 H 2.547 0.030 1 665 63 63 GLN HG3 H 2.547 0.030 1 666 63 63 GLN HE21 H 7.547 0.030 2 667 63 63 GLN HE22 H 7.001 0.030 2 668 63 63 GLN C C 178.235 0.300 1 669 63 63 GLN CA C 59.307 0.300 1 670 63 63 GLN CB C 28.426 0.300 1 671 63 63 GLN CG C 33.766 0.300 1 672 63 63 GLN N N 116.506 0.300 1 673 63 63 GLN NE2 N 112.016 0.300 1 674 64 64 VAL H H 6.853 0.030 1 675 64 64 VAL HA H 3.844 0.030 1 676 64 64 VAL HB H 2.417 0.030 1 677 64 64 VAL HG1 H 1.178 0.030 1 678 64 64 VAL HG2 H 1.228 0.030 1 679 64 64 VAL C C 178.065 0.300 1 680 64 64 VAL CA C 65.481 0.300 1 681 64 64 VAL CB C 31.766 0.300 1 682 64 64 VAL CG1 C 22.724 0.300 2 683 64 64 VAL CG2 C 21.653 0.300 2 684 64 64 VAL N N 117.776 0.300 1 685 65 65 LEU H H 8.173 0.030 1 686 65 65 LEU HA H 4.154 0.030 1 687 65 65 LEU HB2 H 2.110 0.030 2 688 65 65 LEU HB3 H 1.418 0.030 2 689 65 65 LEU HG H 1.589 0.030 1 690 65 65 LEU HD1 H 0.893 0.030 1 691 65 65 LEU HD2 H 0.899 0.030 1 692 65 65 LEU C C 178.065 0.300 1 693 65 65 LEU CA C 58.407 0.300 1 694 65 65 LEU CB C 41.860 0.300 1 695 65 65 LEU CG C 27.389 0.300 1 696 65 65 LEU CD1 C 23.219 0.300 2 697 65 65 LEU CD2 C 26.752 0.300 2 698 65 65 LEU N N 122.055 0.300 1 699 66 66 LYS H H 8.347 0.030 1 700 66 66 LYS HA H 3.900 0.030 1 701 66 66 LYS HB2 H 1.989 0.030 2 702 66 66 LYS HB3 H 1.880 0.030 2 703 66 66 LYS HG2 H 1.396 0.030 2 704 66 66 LYS HG3 H 1.590 0.030 2 705 66 66 LYS HD2 H 1.752 0.030 1 706 66 66 LYS HD3 H 1.752 0.030 1 707 66 66 LYS HE2 H 3.004 0.030 1 708 66 66 LYS HE3 H 3.004 0.030 1 709 66 66 LYS C C 179.355 0.300 1 710 66 66 LYS CA C 60.701 0.300 1 711 66 66 LYS CB C 32.714 0.300 1 712 66 66 LYS CG C 25.526 0.300 1 713 66 66 LYS CD C 29.646 0.300 1 714 66 66 LYS CE C 42.007 0.300 1 715 66 66 LYS N N 117.681 0.300 1 716 67 67 ILE H H 7.710 0.030 1 717 67 67 ILE HA H 3.902 0.030 1 718 67 67 ILE HB H 2.047 0.030 1 719 67 67 ILE HG12 H 1.323 0.030 2 720 67 67 ILE HG13 H 1.807 0.030 2 721 67 67 ILE HG2 H 1.059 0.030 1 722 67 67 ILE HD1 H 0.925 0.030 1 723 67 67 ILE C C 177.809 0.300 1 724 67 67 ILE CA C 64.571 0.300 1 725 67 67 ILE CB C 38.487 0.300 1 726 67 67 ILE CG1 C 29.234 0.300 1 727 67 67 ILE CG2 C 17.730 0.300 1 728 67 67 ILE CD1 C 13.030 0.300 1 729 67 67 ILE N N 120.400 0.300 1 730 68 68 TRP H H 8.851 0.030 1 731 68 68 TRP HA H 4.248 0.030 1 732 68 68 TRP HB2 H 3.544 0.030 2 733 68 68 TRP HB3 H 3.342 0.030 2 734 68 68 TRP HD1 H 7.313 0.030 1 735 68 68 TRP HE1 H 10.085 0.030 1 736 68 68 TRP HE3 H 7.301 0.030 1 737 68 68 TRP HZ2 H 7.389 0.030 1 738 68 68 TRP HZ3 H 6.655 0.030 1 739 68 68 TRP HH2 H 6.982 0.030 1 740 68 68 TRP C C 180.341 0.300 1 741 68 68 TRP CA C 62.976 0.300 1 742 68 68 TRP CB C 28.759 0.300 1 743 68 68 TRP CD1 C 127.455 0.300 1 744 68 68 TRP CE3 C 119.704 0.300 1 745 68 68 TRP CZ2 C 113.958 0.300 1 746 68 68 TRP CZ3 C 121.492 0.300 1 747 68 68 TRP CH2 C 123.748 0.300 1 748 68 68 TRP N N 122.527 0.300 1 749 68 68 TRP NE1 N 129.334 0.300 1 750 69 69 MET H H 9.102 0.030 1 751 69 69 MET HA H 4.001 0.030 1 752 69 69 MET HB2 H 2.418 0.030 2 753 69 69 MET HB3 H 2.196 0.030 2 754 69 69 MET HG2 H 3.065 0.030 2 755 69 69 MET HG3 H 2.435 0.030 2 756 69 69 MET HE H 1.726 0.030 1 757 69 69 MET C C 177.407 0.300 1 758 69 69 MET CA C 60.600 0.300 1 759 69 69 MET CB C 33.744 0.300 1 760 69 69 MET CG C 32.942 0.300 1 761 69 69 MET CE C 15.748 0.300 1 762 69 69 MET N N 118.313 0.300 1 763 70 70 HIS H H 7.858 0.030 1 764 70 70 HIS HA H 4.373 0.030 1 765 70 70 HIS HB2 H 3.390 0.030 2 766 70 70 HIS HB3 H 3.347 0.030 2 767 70 70 HIS HD2 H 7.181 0.030 1 768 70 70 HIS HE1 H 8.171 0.030 1 769 70 70 HIS C C 177.164 0.300 1 770 70 70 HIS CA C 59.296 0.300 1 771 70 70 HIS CB C 29.500 0.300 1 772 70 70 HIS CD2 C 120.393 0.300 1 773 70 70 HIS CE1 C 137.833 0.300 1 774 70 70 HIS N N 116.796 0.300 1 775 71 71 ASN H H 8.158 0.030 1 776 71 71 ASN HA H 4.508 0.030 1 777 71 71 ASN HB2 H 2.784 0.030 2 778 71 71 ASN HB3 H 2.715 0.030 2 779 71 71 ASN HD21 H 7.672 0.030 2 780 71 71 ASN HD22 H 7.042 0.030 2 781 71 71 ASN C C 176.205 0.300 1 782 71 71 ASN CA C 54.395 0.300 1 783 71 71 ASN CB C 39.065 0.300 1 784 71 71 ASN N N 114.979 0.300 1 785 71 71 ASN ND2 N 112.951 0.300 1 786 72 72 ASN H H 7.515 0.030 1 787 72 72 ASN HA H 4.438 0.030 1 788 72 72 ASN HB2 H 2.099 0.030 2 789 72 72 ASN HB3 H 1.483 0.030 2 790 72 72 ASN HD21 H 6.604 0.030 2 791 72 72 ASN HD22 H 6.551 0.030 2 792 72 72 ASN C C 173.561 0.300 1 793 72 72 ASN CA C 54.139 0.300 1 794 72 72 ASN CB C 39.430 0.300 1 795 72 72 ASN N N 116.583 0.300 1 796 72 72 ASN ND2 N 115.010 0.300 1 797 73 73 LYS H H 7.178 0.030 1 798 73 73 LYS HA H 2.797 0.030 1 799 73 73 LYS HB2 H 1.616 0.030 2 800 73 73 LYS HB3 H 1.520 0.030 2 801 73 73 LYS HG2 H 1.088 0.030 2 802 73 73 LYS HG3 H 0.862 0.030 2 803 73 73 LYS HD2 H 1.522 0.030 1 804 73 73 LYS HD3 H 1.522 0.030 1 805 73 73 LYS HE2 H 2.814 0.030 1 806 73 73 LYS HE3 H 2.814 0.030 1 807 73 73 LYS C C 175.812 0.300 1 808 73 73 LYS CA C 57.173 0.300 1 809 73 73 LYS CB C 32.219 0.300 1 810 73 73 LYS CG C 23.779 0.300 1 811 73 73 LYS CD C 29.399 0.300 1 812 73 73 LYS CE C 42.007 0.300 1 813 73 73 LYS N N 120.515 0.300 1 814 74 74 ASN H H 7.607 0.030 1 815 74 74 ASN HA H 4.499 0.030 1 816 74 74 ASN HB2 H 2.671 0.030 2 817 74 74 ASN HB3 H 2.484 0.030 2 818 74 74 ASN HD21 H 7.443 0.030 2 819 74 74 ASN HD22 H 6.823 0.030 2 820 74 74 ASN C C 174.942 0.300 1 821 74 74 ASN CA C 53.178 0.300 1 822 74 74 ASN CB C 38.606 0.300 1 823 74 74 ASN N N 118.788 0.300 1 824 74 74 ASN ND2 N 112.980 0.300 1 825 75 75 SER H H 7.890 0.030 1 826 75 75 SER HA H 4.352 0.030 1 827 75 75 SER HB2 H 3.839 0.030 2 828 75 75 SER HB3 H 3.776 0.030 2 829 75 75 SER C C 174.530 0.300 1 830 75 75 SER CA C 58.485 0.300 1 831 75 75 SER CB C 63.863 0.300 1 832 75 75 SER N N 115.609 0.300 1 833 76 76 GLY H H 8.134 0.030 1 834 76 76 GLY HA2 H 4.116 0.030 2 835 76 76 GLY HA3 H 4.054 0.030 2 836 76 76 GLY C C 171.883 0.300 1 837 76 76 GLY CA C 44.716 0.300 1 838 76 76 GLY N N 110.572 0.300 1 839 77 77 PRO HA H 4.486 0.030 1 840 77 77 PRO HB2 H 2.307 0.030 2 841 77 77 PRO HB3 H 1.998 0.030 2 842 77 77 PRO HG2 H 2.036 0.030 1 843 77 77 PRO HG3 H 2.036 0.030 1 844 77 77 PRO HD2 H 3.626 0.030 1 845 77 77 PRO HD3 H 3.626 0.030 1 846 77 77 PRO CA C 63.410 0.300 1 847 77 77 PRO CB C 32.159 0.300 1 848 77 77 PRO CG C 27.239 0.300 1 849 77 77 PRO CD C 49.868 0.300 1 850 78 78 SER H H 8.430 0.030 1 851 78 78 SER HA H 4.496 0.030 1 852 78 78 SER HB2 H 3.912 0.030 1 853 78 78 SER HB3 H 3.912 0.030 1 854 78 78 SER CA C 58.570 0.300 1 855 78 78 SER CB C 63.762 0.300 1 856 78 78 SER N N 115.577 0.300 1 857 79 79 SER H H 8.322 0.030 1 858 79 79 SER N N 117.895 0.300 1 stop_ save_