data_10044 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of homeobox domain of Arabidopsisthaliana zinc finger homeobox family protein ; _BMRB_accession_number 10044 _BMRB_flat_file_name bmr10044.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-10 _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 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 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" 432 "13C chemical shifts" 308 "15N chemical shifts" 78 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 Arabidopsisthaliana zinc finger homeobox family protein ; _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 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 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 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 ; GSSGSSGSSAEAGGGIRKRH RTKFTAEQKERMLALAERIG WRIQRQDDEVIQRFCQETGV PRQVLKVWLHNNKHSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 SER 10 ALA 11 GLU 12 ALA 13 GLY 14 GLY 15 GLY 16 ILE 17 ARG 18 LYS 19 ARG 20 HIS 21 ARG 22 THR 23 LYS 24 PHE 25 THR 26 ALA 27 GLU 28 GLN 29 LYS 30 GLU 31 ARG 32 MET 33 LEU 34 ALA 35 LEU 36 ALA 37 GLU 38 ARG 39 ILE 40 GLY 41 TRP 42 ARG 43 ILE 44 GLN 45 ARG 46 GLN 47 ASP 48 ASP 49 GLU 50 VAL 51 ILE 52 GLN 53 ARG 54 PHE 55 CYS 56 GLN 57 GLU 58 THR 59 GLY 60 VAL 61 PRO 62 ARG 63 GLN 64 VAL 65 LEU 66 LYS 67 VAL 68 TRP 69 LEU 70 HIS 71 ASN 72 ASN 73 LYS 74 HIS 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-27 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 1WH5 "Solution Structure Of Homeobox Domain Of Arabidopsisthaliana Zinc Finger Homeobox Family Protein" 100.00 80 100.00 100.00 4.65e-50 DBJ BAB11563 "unnamed protein product [Arabidopsis thaliana]" 85.00 279 98.53 100.00 2.21e-40 GB AAO00745 "putative protein [Arabidopsis thaliana]" 85.00 279 98.53 100.00 2.21e-40 GB AAP13412 "At5g65410 [Arabidopsis thaliana]" 85.00 279 98.53 100.00 2.21e-40 GB AED98048 "homeobox protein 25 [Arabidopsis thaliana]" 85.00 279 98.53 100.00 2.21e-40 REF NP_201344 "homeobox protein 25 [Arabidopsis thaliana]" 85.00 279 98.53 100.00 2.21e-40 SP Q9FKP8 "RecName: Full=Zinc-finger homeodomain protein 1; Short=AtZHD1; AltName: Full=Homeobox protein 25; Short=AtHB-25; AltName: Full=" 85.00 279 98.53 100.00 2.21e-40 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 P030107-56 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 1.1 mM '[U-15N, U-13C]' 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 8 8 SER HA H 4.539 0.030 1 2 8 8 SER HB2 H 3.912 0.030 1 3 8 8 SER HB3 H 3.912 0.030 1 4 8 8 SER C C 174.920 0.300 1 5 8 8 SER CA C 58.331 0.300 1 6 8 8 SER CB C 64.101 0.300 1 7 9 9 SER H H 8.441 0.030 1 8 9 9 SER HA H 4.488 0.030 1 9 9 9 SER HB2 H 3.964 0.030 2 10 9 9 SER HB3 H 3.902 0.030 2 11 9 9 SER C C 174.628 0.300 1 12 9 9 SER CA C 58.647 0.300 1 13 9 9 SER CB C 63.772 0.300 1 14 9 9 SER N N 118.084 0.300 1 15 10 10 ALA H H 8.347 0.030 1 16 10 10 ALA HA H 4.327 0.030 1 17 10 10 ALA HB H 1.422 0.030 1 18 10 10 ALA C C 178.029 0.300 1 19 10 10 ALA CA C 52.915 0.300 1 20 10 10 ALA CB C 19.194 0.300 1 21 10 10 ALA N N 125.819 0.300 1 22 11 11 GLU H H 8.271 0.030 1 23 11 11 GLU HA H 4.253 0.030 1 24 11 11 GLU HB2 H 2.066 0.030 2 25 11 11 GLU HB3 H 1.945 0.030 2 26 11 11 GLU HG2 H 2.277 0.030 1 27 11 11 GLU HG3 H 2.277 0.030 1 28 11 11 GLU C C 176.620 0.300 1 29 11 11 GLU CA C 56.653 0.300 1 30 11 11 GLU CB C 30.158 0.300 1 31 11 11 GLU CG C 36.322 0.300 1 32 11 11 GLU N N 119.663 0.300 1 33 12 12 ALA H H 8.304 0.030 1 34 12 12 ALA HA H 4.341 0.030 1 35 12 12 ALA HB H 1.419 0.030 1 36 12 12 ALA C C 178.490 0.300 1 37 12 12 ALA CA C 52.862 0.300 1 38 12 12 ALA CB C 19.094 0.300 1 39 12 12 ALA N N 125.188 0.300 1 40 13 13 GLY H H 8.421 0.030 1 41 13 13 GLY HA2 H 4.000 0.030 1 42 13 13 GLY HA3 H 4.000 0.030 1 43 13 13 GLY C C 175.041 0.300 1 44 13 13 GLY CA C 45.543 0.300 1 45 13 13 GLY N N 108.329 0.300 1 46 14 14 GLY H H 8.300 0.030 1 47 14 14 GLY HA2 H 4.000 0.030 1 48 14 14 GLY HA3 H 4.000 0.030 1 49 14 14 GLY C C 174.896 0.300 1 50 14 14 GLY CA C 45.490 0.300 1 51 14 14 GLY N N 108.613 0.300 1 52 15 15 GLY H H 8.318 0.030 1 53 15 15 GLY HA2 H 3.987 0.030 1 54 15 15 GLY HA3 H 3.987 0.030 1 55 15 15 GLY C C 174.313 0.300 1 56 15 15 GLY CA C 45.314 0.300 1 57 15 15 GLY N N 108.842 0.300 1 58 16 16 ILE H H 8.022 0.030 1 59 16 16 ILE HA H 4.138 0.030 1 60 16 16 ILE HB H 1.875 0.030 1 61 16 16 ILE HG12 H 1.483 0.030 2 62 16 16 ILE HG13 H 1.204 0.030 2 63 16 16 ILE HG2 H 0.908 0.030 1 64 16 16 ILE HD1 H 0.872 0.030 1 65 16 16 ILE C C 176.560 0.300 1 66 16 16 ILE CA C 61.504 0.300 1 67 16 16 ILE CB C 38.619 0.300 1 68 16 16 ILE CG1 C 27.502 0.300 1 69 16 16 ILE CG2 C 17.610 0.300 1 70 16 16 ILE CD1 C 12.993 0.300 1 71 16 16 ILE N N 120.136 0.300 1 72 17 17 ARG H H 8.394 0.030 1 73 17 17 ARG HA H 4.338 0.030 1 74 17 17 ARG HB2 H 1.858 0.030 2 75 17 17 ARG HB3 H 1.782 0.030 2 76 17 17 ARG HG2 H 1.669 0.030 1 77 17 17 ARG HG3 H 1.669 0.030 1 78 17 17 ARG HD2 H 3.223 0.030 1 79 17 17 ARG HD3 H 3.223 0.030 1 80 17 17 ARG C C 176.316 0.300 1 81 17 17 ARG CA C 56.178 0.300 1 82 17 17 ARG CB C 30.529 0.300 1 83 17 17 ARG CG C 27.254 0.300 1 84 17 17 ARG CD C 43.329 0.300 1 85 17 17 ARG N N 124.872 0.300 1 86 18 18 LYS H H 8.280 0.030 1 87 18 18 LYS HA H 4.276 0.030 1 88 18 18 LYS HB2 H 1.788 0.030 2 89 18 18 LYS HB3 H 1.731 0.030 2 90 18 18 LYS HG2 H 1.440 0.030 2 91 18 18 LYS HG3 H 1.376 0.030 2 92 18 18 LYS HD2 H 1.731 0.030 1 93 18 18 LYS HD3 H 1.731 0.030 1 94 18 18 LYS HE2 H 3.010 0.030 1 95 18 18 LYS HE3 H 3.010 0.030 1 96 18 18 LYS C C 176.450 0.300 1 97 18 18 LYS CA C 56.354 0.300 1 98 18 18 LYS CB C 33.073 0.300 1 99 18 18 LYS CG C 25.056 0.300 1 100 18 18 LYS CD C 29.068 0.300 1 101 18 18 LYS CE C 42.075 0.300 1 102 18 18 LYS N N 122.766 0.300 1 103 19 19 ARG H H 8.329 0.030 1 104 19 19 ARG HA H 4.308 0.030 1 105 19 19 ARG HB2 H 1.785 0.030 1 106 19 19 ARG HB3 H 1.785 0.030 1 107 19 19 ARG HG2 H 1.618 0.030 1 108 19 19 ARG HG3 H 1.618 0.030 1 109 19 19 ARG HD2 H 3.194 0.030 1 110 19 19 ARG HD3 H 3.194 0.030 1 111 19 19 ARG C C 176.098 0.300 1 112 19 19 ARG CA C 56.107 0.300 1 113 19 19 ARG CB C 30.900 0.300 1 114 19 19 ARG CG C 27.172 0.300 1 115 19 19 ARG CD C 43.411 0.300 1 116 19 19 ARG N N 122.188 0.300 1 117 20 20 HIS H H 8.487 0.030 1 118 20 20 HIS HA H 4.701 0.030 1 119 20 20 HIS HB2 H 3.117 0.030 2 120 20 20 HIS HB3 H 3.194 0.030 2 121 20 20 HIS HD2 H 7.139 0.030 1 122 20 20 HIS C C 174.969 0.300 1 123 20 20 HIS CA C 55.895 0.300 1 124 20 20 HIS CB C 30.405 0.300 1 125 20 20 HIS CD2 C 120.053 0.300 1 126 20 20 HIS N N 121.083 0.300 1 127 21 21 ARG H H 8.507 0.030 1 128 21 21 ARG HA H 4.406 0.030 1 129 21 21 ARG HB2 H 1.851 0.030 2 130 21 21 ARG HB3 H 1.784 0.030 2 131 21 21 ARG HG2 H 1.631 0.030 1 132 21 21 ARG HG3 H 1.631 0.030 1 133 21 21 ARG HD2 H 3.214 0.030 1 134 21 21 ARG HD3 H 3.214 0.030 1 135 21 21 ARG C C 176.171 0.300 1 136 21 21 ARG CA C 56.107 0.300 1 137 21 21 ARG CB C 30.941 0.300 1 138 21 21 ARG CG C 27.090 0.300 1 139 21 21 ARG CD C 43.411 0.300 1 140 21 21 ARG N N 123.451 0.300 1 141 22 22 THR H H 8.297 0.030 1 142 22 22 THR HA H 4.196 0.030 1 143 22 22 THR HB H 4.021 0.030 1 144 22 22 THR HG2 H 1.026 0.030 1 145 22 22 THR C C 173.803 0.300 1 146 22 22 THR CA C 62.350 0.300 1 147 22 22 THR CB C 69.807 0.300 1 148 22 22 THR CG2 C 21.896 0.300 1 149 22 22 THR N N 117.453 0.300 1 150 23 23 LYS H H 8.253 0.030 1 151 23 23 LYS HA H 4.293 0.030 1 152 23 23 LYS HB2 H 1.707 0.030 2 153 23 23 LYS HB3 H 1.617 0.030 2 154 23 23 LYS HG2 H 1.354 0.030 2 155 23 23 LYS HG3 H 1.258 0.030 2 156 23 23 LYS HD2 H 1.652 0.030 1 157 23 23 LYS HD3 H 1.652 0.030 1 158 23 23 LYS HE2 H 2.984 0.030 1 159 23 23 LYS HE3 H 2.984 0.030 1 160 23 23 LYS C C 175.515 0.300 1 161 23 23 LYS CA C 55.931 0.300 1 162 23 23 LYS CB C 33.414 0.300 1 163 23 23 LYS CG C 24.699 0.300 1 164 23 23 LYS CD C 29.150 0.300 1 165 23 23 LYS CE C 42.092 0.300 1 166 23 23 LYS N N 125.188 0.300 1 167 24 24 PHE H H 8.108 0.030 1 168 24 24 PHE HA H 5.016 0.030 1 169 24 24 PHE HB2 H 3.185 0.030 2 170 24 24 PHE HB3 H 2.691 0.030 2 171 24 24 PHE HD1 H 7.178 0.030 1 172 24 24 PHE HD2 H 7.178 0.030 1 173 24 24 PHE HE1 H 7.273 0.030 1 174 24 24 PHE HE2 H 7.273 0.030 1 175 24 24 PHE HZ H 7.139 0.030 1 176 24 24 PHE C C 176.948 0.300 1 177 24 24 PHE CA C 56.901 0.300 1 178 24 24 PHE CB C 41.328 0.300 1 179 24 24 PHE CD1 C 131.582 0.300 1 180 24 24 PHE CD2 C 131.582 0.300 1 181 24 24 PHE CE1 C 131.550 0.300 1 182 24 24 PHE CE2 C 131.550 0.300 1 183 24 24 PHE CZ C 129.254 0.300 1 184 24 24 PHE N N 120.556 0.300 1 185 25 25 THR H H 8.901 0.030 1 186 25 25 THR HA H 4.462 0.030 1 187 25 25 THR HB H 4.814 0.030 1 188 25 25 THR HG2 H 1.330 0.030 1 189 25 25 THR C C 175.236 0.300 1 190 25 25 THR CA C 60.851 0.300 1 191 25 25 THR CB C 70.838 0.300 1 192 25 25 THR CG2 C 21.896 0.300 1 193 25 25 THR N N 113.822 0.300 1 194 26 26 ALA H H 9.001 0.030 1 195 26 26 ALA HA H 4.107 0.030 1 196 26 26 ALA HB H 1.524 0.030 1 197 26 26 ALA C C 180.458 0.300 1 198 26 26 ALA CA C 55.772 0.300 1 199 26 26 ALA CB C 17.971 0.300 1 200 26 26 ALA N N 124.083 0.300 1 201 27 27 GLU H H 8.671 0.030 1 202 27 27 GLU HA H 4.096 0.030 1 203 27 27 GLU HB2 H 1.915 0.030 2 204 27 27 GLU HB3 H 2.102 0.030 2 205 27 27 GLU HG2 H 2.304 0.030 1 206 27 27 GLU HG3 H 2.304 0.030 1 207 27 27 GLU C C 179.304 0.300 1 208 27 27 GLU CA C 59.740 0.300 1 209 27 27 GLU CB C 29.334 0.300 1 210 27 27 GLU CG C 36.652 0.300 1 211 27 27 GLU N N 117.872 0.300 1 212 28 28 GLN H H 7.844 0.030 1 213 28 28 GLN HA H 3.743 0.030 1 214 28 28 GLN HB2 H 2.537 0.030 2 215 28 28 GLN HB3 H 1.668 0.030 2 216 28 28 GLN HG2 H 2.216 0.030 2 217 28 28 GLN HG3 H 2.639 0.030 2 218 28 28 GLN HE21 H 7.472 0.030 2 219 28 28 GLN HE22 H 6.857 0.030 2 220 28 28 GLN C C 178.175 0.300 1 221 28 28 GLN CA C 59.617 0.300 1 222 28 28 GLN CB C 28.431 0.300 1 223 28 28 GLN CG C 35.210 0.300 1 224 28 28 GLN N N 118.874 0.300 1 225 28 28 GLN NE2 N 110.375 0.300 1 226 29 29 LYS H H 8.352 0.030 1 227 29 29 LYS HA H 3.523 0.030 1 228 29 29 LYS HB2 H 1.949 0.030 2 229 29 29 LYS HB3 H 1.859 0.030 2 230 29 29 LYS HG2 H 1.535 0.030 2 231 29 29 LYS HG3 H 1.343 0.030 2 232 29 29 LYS HD2 H 1.809 0.030 1 233 29 29 LYS HD3 H 1.809 0.030 1 234 29 29 LYS HE2 H 3.074 0.030 1 235 29 29 LYS HE3 H 3.074 0.030 1 236 29 29 LYS C C 178.272 0.300 1 237 29 29 LYS CA C 60.252 0.300 1 238 29 29 LYS CB C 31.865 0.300 1 239 29 29 LYS CG C 25.606 0.300 1 240 29 29 LYS CD C 29.398 0.300 1 241 29 29 LYS CE C 41.927 0.300 1 242 29 29 LYS N N 118.493 0.300 1 243 30 30 GLU H H 8.067 0.030 1 244 30 30 GLU HA H 4.012 0.030 1 245 30 30 GLU HB2 H 2.171 0.030 2 246 30 30 GLU HB3 H 2.124 0.030 2 247 30 30 GLU HG2 H 2.439 0.030 2 248 30 30 GLU HG3 H 2.311 0.030 2 249 30 30 GLU C C 179.996 0.300 1 250 30 30 GLU CA C 59.652 0.300 1 251 30 30 GLU CB C 29.416 0.300 1 252 30 30 GLU CG C 36.157 0.300 1 253 30 30 GLU N N 118.504 0.300 1 254 31 31 ARG H H 7.937 0.030 1 255 31 31 ARG HA H 4.162 0.030 1 256 31 31 ARG HB2 H 1.999 0.030 1 257 31 31 ARG HB3 H 1.999 0.030 1 258 31 31 ARG HG2 H 1.906 0.030 2 259 31 31 ARG HG3 H 1.781 0.030 2 260 31 31 ARG HD2 H 3.177 0.030 2 261 31 31 ARG HD3 H 3.108 0.030 2 262 31 31 ARG C C 179.486 0.300 1 263 31 31 ARG CA C 58.717 0.300 1 264 31 31 ARG CB C 29.767 0.300 1 265 31 31 ARG CG C 27.487 0.300 1 266 31 31 ARG CD C 42.999 0.300 1 267 31 31 ARG N N 118.716 0.300 1 268 32 32 MET H H 8.516 0.030 1 269 32 32 MET HA H 3.467 0.030 1 270 32 32 MET HB2 H 1.299 0.030 2 271 32 32 MET HB3 H 0.929 0.030 2 272 32 32 MET HG2 H 2.190 0.030 2 273 32 32 MET HG3 H 1.574 0.030 2 274 32 32 MET HE H 0.091 0.030 1 275 32 32 MET C C 176.839 0.300 1 276 32 32 MET CA C 60.093 0.300 1 277 32 32 MET CB C 32.657 0.300 1 278 32 32 MET CG C 32.035 0.300 1 279 32 32 MET CE C 13.909 0.300 1 280 32 32 MET N N 121.661 0.300 1 281 33 33 LEU H H 8.060 0.030 1 282 33 33 LEU HA H 4.031 0.030 1 283 33 33 LEU HB2 H 1.869 0.030 2 284 33 33 LEU HB3 H 1.758 0.030 2 285 33 33 LEU HG H 1.856 0.030 1 286 33 33 LEU HD1 H 1.209 0.030 1 287 33 33 LEU HD2 H 1.209 0.030 1 288 33 33 LEU C C 178.503 0.300 1 289 33 33 LEU CA C 58.223 0.300 1 290 33 33 LEU CB C 42.011 0.300 1 291 33 33 LEU CG C 27.419 0.300 1 292 33 33 LEU CD1 C 24.695 0.300 2 293 33 33 LEU CD2 C 24.995 0.300 2 294 33 33 LEU N N 119.979 0.300 1 295 34 34 ALA H H 7.457 0.030 1 296 34 34 ALA HA H 4.116 0.030 1 297 34 34 ALA HB H 1.468 0.030 1 298 34 34 ALA C C 180.956 0.300 1 299 34 34 ALA CA C 54.732 0.300 1 300 34 34 ALA CB C 17.999 0.300 1 301 34 34 ALA N N 119.950 0.300 1 302 35 35 LEU H H 7.755 0.030 1 303 35 35 LEU HA H 3.857 0.030 1 304 35 35 LEU HB2 H 1.362 0.030 2 305 35 35 LEU HB3 H 1.184 0.030 2 306 35 35 LEU HG H 1.022 0.030 1 307 35 35 LEU HD1 H 0.569 0.030 1 308 35 35 LEU HD2 H 0.014 0.030 1 309 35 35 LEU C C 177.823 0.300 1 310 35 35 LEU CA C 57.570 0.300 1 311 35 35 LEU CB C 41.011 0.300 1 312 35 35 LEU CG C 26.265 0.300 1 313 35 35 LEU CD1 C 23.298 0.300 2 314 35 35 LEU CD2 C 25.276 0.300 2 315 35 35 LEU N N 120.556 0.300 1 316 36 36 ALA H H 8.284 0.030 1 317 36 36 ALA HA H 3.052 0.030 1 318 36 36 ALA HB H 0.089 0.030 1 319 36 36 ALA C C 179.255 0.300 1 320 36 36 ALA CA C 55.155 0.300 1 321 36 36 ALA CB C 17.175 0.300 1 322 36 36 ALA N N 120.680 0.300 1 323 37 37 GLU H H 7.461 0.030 1 324 37 37 GLU HA H 3.990 0.030 1 325 37 37 GLU HB2 H 2.093 0.030 1 326 37 37 GLU HB3 H 2.093 0.030 1 327 37 37 GLU HG2 H 2.503 0.030 2 328 37 37 GLU HG3 H 2.466 0.030 2 329 37 37 GLU C C 179.389 0.300 1 330 37 37 GLU CA C 58.657 0.300 1 331 37 37 GLU CB C 29.622 0.300 1 332 37 37 GLU CG C 36.075 0.300 1 333 37 37 GLU N N 113.567 0.300 1 334 38 38 ARG H H 7.539 0.030 1 335 38 38 ARG HA H 4.172 0.030 1 336 38 38 ARG HB2 H 2.047 0.030 1 337 38 38 ARG HB3 H 2.047 0.030 1 338 38 38 ARG HG2 H 1.760 0.030 2 339 38 38 ARG HG3 H 1.652 0.030 2 340 38 38 ARG HD2 H 3.129 0.030 2 341 38 38 ARG HD3 H 3.230 0.030 2 342 38 38 ARG C C 178.709 0.300 1 343 38 38 ARG CA C 58.911 0.300 1 344 38 38 ARG CB C 30.158 0.300 1 345 38 38 ARG CG C 27.172 0.300 1 346 38 38 ARG CD C 43.658 0.300 1 347 38 38 ARG N N 120.452 0.300 1 348 39 39 ILE H H 7.916 0.030 1 349 39 39 ILE HA H 4.547 0.030 1 350 39 39 ILE HB H 2.520 0.030 1 351 39 39 ILE HG12 H 1.432 0.030 2 352 39 39 ILE HG13 H 1.067 0.030 2 353 39 39 ILE HG2 H 0.730 0.030 1 354 39 39 ILE HD1 H 0.503 0.030 1 355 39 39 ILE C C 176.147 0.300 1 356 39 39 ILE CA C 61.168 0.300 1 357 39 39 ILE CB C 37.618 0.300 1 358 39 39 ILE CG1 C 25.194 0.300 1 359 39 39 ILE CG2 C 16.505 0.300 1 360 39 39 ILE CD1 C 13.479 0.300 1 361 39 39 ILE N N 110.622 0.300 1 362 40 40 GLY H H 7.597 0.030 1 363 40 40 GLY HA2 H 4.045 0.030 2 364 40 40 GLY HA3 H 3.982 0.030 2 365 40 40 GLY C C 175.770 0.300 1 366 40 40 GLY CA C 47.642 0.300 1 367 40 40 GLY N N 111.074 0.300 1 368 41 41 TRP H H 8.753 0.030 1 369 41 41 TRP HA H 3.377 0.030 1 370 41 41 TRP HB2 H 3.557 0.030 2 371 41 41 TRP HB3 H 3.323 0.030 2 372 41 41 TRP HD1 H 7.096 0.030 1 373 41 41 TRP HE1 H 10.289 0.030 1 374 41 41 TRP HE3 H 7.499 0.030 1 375 41 41 TRP HZ2 H 7.429 0.030 1 376 41 41 TRP HZ3 H 6.487 0.030 1 377 41 41 TRP HH2 H 6.914 0.030 1 378 41 41 TRP C C 172.952 0.300 1 379 41 41 TRP CA C 60.027 0.300 1 380 41 41 TRP CB C 25.441 0.300 1 381 41 41 TRP CD1 C 127.338 0.300 1 382 41 41 TRP CE3 C 120.253 0.300 1 383 41 41 TRP CZ2 C 114.659 0.300 1 384 41 41 TRP CZ3 C 122.479 0.300 1 385 41 41 TRP CH2 C 124.901 0.300 1 386 41 41 TRP N N 111.033 0.300 1 387 41 41 TRP NE1 N 129.877 0.300 1 388 42 42 ARG H H 7.358 0.030 1 389 42 42 ARG HA H 4.608 0.030 1 390 42 42 ARG HB2 H 1.873 0.030 2 391 42 42 ARG HB3 H 1.785 0.030 2 392 42 42 ARG HG2 H 1.578 0.030 1 393 42 42 ARG HG3 H 1.578 0.030 1 394 42 42 ARG HD2 H 3.167 0.030 1 395 42 42 ARG HD3 H 3.167 0.030 1 396 42 42 ARG C C 173.110 0.300 1 397 42 42 ARG CA C 55.233 0.300 1 398 42 42 ARG CB C 32.710 0.300 1 399 42 42 ARG CG C 26.174 0.300 1 400 42 42 ARG CD C 43.823 0.300 1 401 42 42 ARG N N 115.874 0.300 1 402 43 43 ILE H H 8.563 0.030 1 403 43 43 ILE HA H 4.089 0.030 1 404 43 43 ILE HB H 1.741 0.030 1 405 43 43 ILE HG12 H 1.495 0.030 2 406 43 43 ILE HG13 H 0.771 0.030 2 407 43 43 ILE HG2 H 0.812 0.030 1 408 43 43 ILE HD1 H 0.756 0.030 1 409 43 43 ILE C C 176.086 0.300 1 410 43 43 ILE CA C 61.574 0.300 1 411 43 43 ILE CB C 38.255 0.300 1 412 43 43 ILE CG1 C 27.625 0.300 1 413 43 43 ILE CG2 C 17.874 0.300 1 414 43 43 ILE CD1 C 13.262 0.300 1 415 43 43 ILE N N 120.926 0.300 1 416 44 44 GLN H H 9.551 0.030 1 417 44 44 GLN HA H 4.701 0.030 1 418 44 44 GLN HB2 H 2.319 0.030 2 419 44 44 GLN HB3 H 1.954 0.030 2 420 44 44 GLN HG2 H 2.390 0.030 2 421 44 44 GLN HG3 H 2.203 0.030 2 422 44 44 GLN HE21 H 8.076 0.030 2 423 44 44 GLN HE22 H 6.909 0.030 2 424 44 44 GLN C C 177.300 0.300 1 425 44 44 GLN CA C 54.626 0.300 1 426 44 44 GLN CB C 32.046 0.300 1 427 44 44 GLN CG C 34.767 0.300 1 428 44 44 GLN N N 128.445 0.300 1 429 44 44 GLN NE2 N 113.074 0.300 1 430 45 45 ARG H H 8.920 0.030 1 431 45 45 ARG HA H 4.137 0.030 1 432 45 45 ARG HB2 H 1.936 0.030 2 433 45 45 ARG HB3 H 1.884 0.030 2 434 45 45 ARG HG2 H 1.731 0.030 1 435 45 45 ARG HG3 H 1.731 0.030 1 436 45 45 ARG HD2 H 3.269 0.030 1 437 45 45 ARG HD3 H 3.269 0.030 1 438 45 45 ARG C C 178.709 0.300 1 439 45 45 ARG CA C 58.999 0.300 1 440 45 45 ARG CB C 29.727 0.300 1 441 45 45 ARG CG C 26.842 0.300 1 442 45 45 ARG CD C 43.081 0.300 1 443 45 45 ARG N N 123.746 0.300 1 444 46 46 GLN H H 8.975 0.030 1 445 46 46 GLN HA H 4.269 0.030 1 446 46 46 GLN HB2 H 2.131 0.030 1 447 46 46 GLN HB3 H 2.131 0.030 1 448 46 46 GLN HG2 H 2.429 0.030 2 449 46 46 GLN HG3 H 2.291 0.030 2 450 46 46 GLN HE21 H 7.759 0.030 2 451 46 46 GLN HE22 H 6.736 0.030 2 452 46 46 GLN C C 176.292 0.300 1 453 46 46 GLN CA C 57.677 0.300 1 454 46 46 GLN CB C 27.636 0.300 1 455 46 46 GLN CG C 32.929 0.300 1 456 46 46 GLN N N 116.664 0.300 1 457 46 46 GLN NE2 N 112.460 0.300 1 458 47 47 ASP H H 7.846 0.030 1 459 47 47 ASP HA H 4.952 0.030 1 460 47 47 ASP HB2 H 2.865 0.030 2 461 47 47 ASP HB3 H 2.781 0.030 2 462 47 47 ASP C C 176.061 0.300 1 463 47 47 ASP CA C 54.467 0.300 1 464 47 47 ASP CB C 41.740 0.300 1 465 47 47 ASP N N 118.874 0.300 1 466 48 48 ASP H H 7.634 0.030 1 467 48 48 ASP HA H 4.280 0.030 1 468 48 48 ASP HB2 H 2.908 0.030 2 469 48 48 ASP HB3 H 2.664 0.030 2 470 48 48 ASP C C 177.859 0.300 1 471 48 48 ASP CA C 59.035 0.300 1 472 48 48 ASP CB C 41.890 0.300 1 473 48 48 ASP N N 120.452 0.300 1 474 49 49 GLU H H 8.773 0.030 1 475 49 49 GLU HA H 4.067 0.030 1 476 49 49 GLU HB2 H 2.089 0.030 1 477 49 49 GLU HB3 H 2.089 0.030 1 478 49 49 GLU HG2 H 2.293 0.030 2 479 49 49 GLU HG3 H 2.381 0.030 2 480 49 49 GLU C C 179.037 0.300 1 481 49 49 GLU CA C 60.234 0.300 1 482 49 49 GLU CB C 29.242 0.300 1 483 49 49 GLU CG C 36.652 0.300 1 484 49 49 GLU N N 118.558 0.300 1 485 50 50 VAL H H 7.725 0.030 1 486 50 50 VAL HA H 3.773 0.030 1 487 50 50 VAL HB H 2.212 0.030 1 488 50 50 VAL HG1 H 1.079 0.030 1 489 50 50 VAL HG2 H 0.915 0.030 1 490 50 50 VAL C C 179.049 0.300 1 491 50 50 VAL CA C 65.859 0.300 1 492 50 50 VAL CB C 31.889 0.300 1 493 50 50 VAL CG1 C 22.473 0.300 2 494 50 50 VAL CG2 C 20.825 0.300 2 495 50 50 VAL N N 120.043 0.300 1 496 51 51 ILE H H 8.217 0.030 1 497 51 51 ILE HA H 3.736 0.030 1 498 51 51 ILE HB H 2.098 0.030 1 499 51 51 ILE HG12 H 1.555 0.030 2 500 51 51 ILE HG13 H 1.335 0.030 2 501 51 51 ILE HG2 H 0.901 0.030 1 502 51 51 ILE HD1 H 0.754 0.030 1 503 51 51 ILE C C 177.507 0.300 1 504 51 51 ILE CA C 63.796 0.300 1 505 51 51 ILE CB C 36.837 0.300 1 506 51 51 ILE CG1 C 28.542 0.300 1 507 51 51 ILE CG2 C 18.022 0.300 1 508 51 51 ILE CD1 C 12.005 0.300 1 509 51 51 ILE N N 121.557 0.300 1 510 52 52 GLN H H 8.697 0.030 1 511 52 52 GLN HA H 4.048 0.030 1 512 52 52 GLN HB2 H 2.186 0.030 1 513 52 52 GLN HB3 H 2.186 0.030 1 514 52 52 GLN HG2 H 2.486 0.030 2 515 52 52 GLN HG3 H 2.415 0.030 2 516 52 52 GLN HE21 H 7.554 0.030 2 517 52 52 GLN HE22 H 6.842 0.030 2 518 52 52 GLN C C 179.134 0.300 1 519 52 52 GLN CA C 59.634 0.300 1 520 52 52 GLN CB C 28.420 0.300 1 521 52 52 GLN CG C 33.684 0.300 1 522 52 52 GLN N N 120.294 0.300 1 523 52 52 GLN NE2 N 111.845 0.300 1 524 53 53 ARG H H 7.962 0.030 1 525 53 53 ARG HA H 4.099 0.030 1 526 53 53 ARG HB2 H 1.947 0.030 1 527 53 53 ARG HB3 H 1.947 0.030 1 528 53 53 ARG HG2 H 1.783 0.030 2 529 53 53 ARG HG3 H 1.636 0.030 2 530 53 53 ARG HD2 H 3.248 0.030 1 531 53 53 ARG HD3 H 3.248 0.030 1 532 53 53 ARG C C 177.993 0.300 1 533 53 53 ARG CA C 59.511 0.300 1 534 53 53 ARG CB C 29.931 0.300 1 535 53 53 ARG CG C 27.502 0.300 1 536 53 53 ARG CD C 43.493 0.300 1 537 53 53 ARG N N 118.558 0.300 1 538 54 54 PHE H H 8.067 0.030 1 539 54 54 PHE HA H 4.215 0.030 1 540 54 54 PHE HB2 H 3.372 0.030 2 541 54 54 PHE HB3 H 3.245 0.030 2 542 54 54 PHE HD1 H 7.315 0.030 1 543 54 54 PHE HD2 H 7.315 0.030 1 544 54 54 PHE HE1 H 6.941 0.030 1 545 54 54 PHE HE2 H 6.941 0.030 1 546 54 54 PHE HZ H 6.761 0.030 1 547 54 54 PHE C C 179.243 0.300 1 548 54 54 PHE CA C 61.856 0.300 1 549 54 54 PHE CB C 39.134 0.300 1 550 54 54 PHE CD1 C 132.622 0.300 1 551 54 54 PHE CD2 C 132.622 0.300 1 552 54 54 PHE CE1 C 131.255 0.300 1 553 54 54 PHE CE2 C 131.255 0.300 1 554 54 54 PHE CZ C 128.875 0.300 1 555 54 54 PHE N N 120.610 0.300 1 556 55 55 CYS H H 9.139 0.030 1 557 55 55 CYS HA H 3.989 0.030 1 558 55 55 CYS HB2 H 3.271 0.030 2 559 55 55 CYS HB3 H 2.870 0.030 2 560 55 55 CYS C C 177.798 0.300 1 561 55 55 CYS CA C 64.132 0.300 1 562 55 55 CYS CB C 27.825 0.300 1 563 55 55 CYS N N 122.504 0.300 1 564 56 56 GLN H H 8.085 0.030 1 565 56 56 GLN HA H 4.011 0.030 1 566 56 56 GLN HB2 H 2.235 0.030 2 567 56 56 GLN HB3 H 2.170 0.030 2 568 56 56 GLN HG2 H 2.496 0.030 2 569 56 56 GLN HG3 H 2.422 0.030 2 570 56 56 GLN HE21 H 7.476 0.030 2 571 56 56 GLN HE22 H 6.845 0.030 2 572 56 56 GLN C C 178.405 0.300 1 573 56 56 GLN CA C 58.629 0.300 1 574 56 56 GLN CB C 28.585 0.300 1 575 56 56 GLN CG C 33.849 0.300 1 576 56 56 GLN N N 119.919 0.300 1 577 56 56 GLN NE2 N 111.677 0.300 1 578 57 57 GLU H H 8.323 0.030 1 579 57 57 GLU HA H 4.016 0.030 1 580 57 57 GLU HB2 H 1.944 0.030 2 581 57 57 GLU HB3 H 2.049 0.030 2 582 57 57 GLU HG2 H 2.204 0.030 2 583 57 57 GLU HG3 H 2.500 0.030 2 584 57 57 GLU C C 178.806 0.300 1 585 57 57 GLU CA C 58.929 0.300 1 586 57 57 GLU CB C 30.364 0.300 1 587 57 57 GLU CG C 36.734 0.300 1 588 57 57 GLU N N 117.611 0.300 1 589 58 58 THR H H 7.830 0.030 1 590 58 58 THR HA H 4.170 0.030 1 591 58 58 THR HB H 3.787 0.030 1 592 58 58 THR HG2 H 0.716 0.030 1 593 58 58 THR C C 176.547 0.300 1 594 58 58 THR CA C 62.844 0.300 1 595 58 58 THR CB C 71.424 0.300 1 596 58 58 THR CG2 C 20.825 0.300 1 597 58 58 THR N N 105.932 0.300 1 598 59 59 GLY H H 7.666 0.030 1 599 59 59 GLY HA2 H 4.120 0.030 2 600 59 59 GLY HA3 H 3.750 0.030 2 601 59 59 GLY C C 173.973 0.300 1 602 59 59 GLY CA C 45.790 0.300 1 603 59 59 GLY N N 111.139 0.300 1 604 60 60 VAL H H 7.493 0.030 1 605 60 60 VAL HA H 4.295 0.030 1 606 60 60 VAL HB H 1.997 0.030 1 607 60 60 VAL HG1 H 0.825 0.030 1 608 60 60 VAL HG2 H 0.998 0.030 1 609 60 60 VAL C C 173.365 0.300 1 610 60 60 VAL CA C 60.128 0.300 1 611 60 60 VAL CB C 33.309 0.300 1 612 60 60 VAL CG1 C 21.189 0.300 2 613 60 60 VAL CG2 C 20.818 0.300 2 614 60 60 VAL N N 123.702 0.300 1 615 61 61 PRO HA H 4.563 0.030 1 616 61 61 PRO HB2 H 2.580 0.030 2 617 61 61 PRO HB3 H 1.885 0.030 2 618 61 61 PRO HG2 H 2.117 0.030 2 619 61 61 PRO HG3 H 2.078 0.030 2 620 61 61 PRO HD2 H 4.331 0.030 2 621 61 61 PRO HD3 H 3.503 0.030 2 622 61 61 PRO C C 178.296 0.300 1 623 61 61 PRO CA C 62.350 0.300 1 624 61 61 PRO CB C 33.183 0.300 1 625 61 61 PRO CG C 28.079 0.300 1 626 61 61 PRO CD C 51.047 0.300 1 627 62 62 ARG H H 9.139 0.030 1 628 62 62 ARG HA H 3.812 0.030 1 629 62 62 ARG HB2 H 2.040 0.030 2 630 62 62 ARG HB3 H 1.834 0.030 2 631 62 62 ARG HG2 H 1.638 0.030 2 632 62 62 ARG HG3 H 1.498 0.030 2 633 62 62 ARG HD2 H 3.248 0.030 1 634 62 62 ARG HD3 H 3.248 0.030 1 635 62 62 ARG C C 177.871 0.300 1 636 62 62 ARG CA C 60.728 0.300 1 637 62 62 ARG CB C 30.281 0.300 1 638 62 62 ARG CG C 27.914 0.300 1 639 62 62 ARG CD C 43.658 0.300 1 640 62 62 ARG N N 125.873 0.300 1 641 63 63 GLN H H 9.129 0.030 1 642 63 63 GLN HA H 4.109 0.030 1 643 63 63 GLN HB2 H 2.084 0.030 2 644 63 63 GLN HB3 H 2.157 0.030 2 645 63 63 GLN HG2 H 2.533 0.030 1 646 63 63 GLN HG3 H 2.533 0.030 1 647 63 63 GLN HE21 H 7.537 0.030 2 648 63 63 GLN HE22 H 6.983 0.030 2 649 63 63 GLN C C 178.272 0.300 1 650 63 63 GLN CA C 59.035 0.300 1 651 63 63 GLN CB C 27.891 0.300 1 652 63 63 GLN CG C 33.437 0.300 1 653 63 63 GLN N N 115.978 0.300 1 654 63 63 GLN NE2 N 111.978 0.300 1 655 64 64 VAL H H 6.923 0.030 1 656 64 64 VAL HA H 3.846 0.030 1 657 64 64 VAL HB H 2.271 0.030 1 658 64 64 VAL HG1 H 1.137 0.030 1 659 64 64 VAL HG2 H 1.183 0.030 1 660 64 64 VAL C C 178.223 0.300 1 661 64 64 VAL CA C 65.419 0.300 1 662 64 64 VAL CB C 31.994 0.300 1 663 64 64 VAL CG1 C 22.588 0.300 2 664 64 64 VAL CG2 C 21.746 0.300 2 665 64 64 VAL N N 119.189 0.300 1 666 65 65 LEU H H 8.041 0.030 1 667 65 65 LEU HA H 4.078 0.030 1 668 65 65 LEU HB2 H 2.065 0.030 2 669 65 65 LEU HB3 H 1.375 0.030 2 670 65 65 LEU HG H 0.701 0.030 1 671 65 65 LEU HD1 H 0.676 0.030 1 672 65 65 LEU HD2 H 1.460 0.030 1 673 65 65 LEU C C 177.616 0.300 1 674 65 65 LEU CA C 58.153 0.300 1 675 65 65 LEU CB C 41.740 0.300 1 676 65 65 LEU CG C 26.486 0.300 1 677 65 65 LEU CD1 C 23.064 0.300 2 678 65 65 LEU CD2 C 27.153 0.300 2 679 65 65 LEU N N 122.242 0.300 1 680 66 66 LYS H H 8.439 0.030 1 681 66 66 LYS HA H 3.829 0.030 1 682 66 66 LYS HB2 H 1.977 0.030 2 683 66 66 LYS HB3 H 1.875 0.030 2 684 66 66 LYS HG2 H 1.580 0.030 2 685 66 66 LYS HG3 H 1.400 0.030 2 686 66 66 LYS HD2 H 1.736 0.030 1 687 66 66 LYS HD3 H 1.736 0.030 1 688 66 66 LYS HE2 H 2.996 0.030 1 689 66 66 LYS HE3 H 2.996 0.030 1 690 66 66 LYS C C 179.110 0.300 1 691 66 66 LYS CA C 60.833 0.300 1 692 66 66 LYS CB C 32.734 0.300 1 693 66 66 LYS CG C 25.476 0.300 1 694 66 66 LYS CD C 29.727 0.300 1 695 66 66 LYS CE C 42.092 0.300 1 696 66 66 LYS N N 117.295 0.300 1 697 67 67 VAL H H 7.440 0.030 1 698 67 67 VAL HA H 3.805 0.030 1 699 67 67 VAL HB H 2.274 0.030 1 700 67 67 VAL HG1 H 1.186 0.030 1 701 67 67 VAL HG2 H 1.090 0.030 1 702 67 67 VAL C C 177.616 0.300 1 703 67 67 VAL CA C 66.300 0.300 1 704 67 67 VAL CB C 32.342 0.300 1 705 67 67 VAL CG1 C 23.018 0.300 2 706 67 67 VAL CG2 C 21.567 0.300 2 707 67 67 VAL N N 119.759 0.300 1 708 68 68 TRP H H 8.518 0.030 1 709 68 68 TRP HA H 4.223 0.030 1 710 68 68 TRP HB2 H 3.498 0.030 2 711 68 68 TRP HB3 H 3.273 0.030 2 712 68 68 TRP HD1 H 7.270 0.030 1 713 68 68 TRP HE1 H 10.059 0.030 1 714 68 68 TRP HE3 H 7.180 0.030 1 715 68 68 TRP HZ2 H 7.316 0.030 1 716 68 68 TRP HZ3 H 6.544 0.030 1 717 68 68 TRP HH2 H 6.875 0.030 1 718 68 68 TRP C C 180.349 0.300 1 719 68 68 TRP CA C 63.161 0.300 1 720 68 68 TRP CB C 28.913 0.300 1 721 68 68 TRP CD1 C 127.432 0.300 1 722 68 68 TRP CE3 C 119.822 0.300 1 723 68 68 TRP CZ2 C 113.825 0.300 1 724 68 68 TRP CZ3 C 121.731 0.300 1 725 68 68 TRP CH2 C 123.627 0.300 1 726 68 68 TRP N N 122.820 0.300 1 727 68 68 TRP NE1 N 129.162 0.300 1 728 69 69 LEU H H 9.080 0.030 1 729 69 69 LEU HA H 4.040 0.030 1 730 69 69 LEU HB2 H 2.065 0.030 2 731 69 69 LEU HB3 H 1.581 0.030 2 732 69 69 LEU HG H 2.082 0.030 1 733 69 69 LEU HD1 H 0.675 0.030 1 734 69 69 LEU HD2 H 0.701 0.030 1 735 69 69 LEU C C 178.369 0.300 1 736 69 69 LEU CA C 58.311 0.300 1 737 69 69 LEU CB C 42.441 0.300 1 738 69 69 LEU CG C 26.729 0.300 1 739 69 69 LEU CD1 C 26.760 0.300 2 740 69 69 LEU CD2 C 24.534 0.300 2 741 69 69 LEU N N 119.189 0.300 1 742 70 70 HIS H H 7.638 0.030 1 743 70 70 HIS HA H 4.317 0.030 1 744 70 70 HIS HB2 H 3.378 0.030 2 745 70 70 HIS HB3 H 3.332 0.030 2 746 70 70 HIS HD2 H 7.204 0.030 1 747 70 70 HIS C C 177.179 0.300 1 748 70 70 HIS CA C 59.194 0.300 1 749 70 70 HIS CB C 29.581 0.300 1 750 70 70 HIS CD2 C 120.289 0.300 1 751 70 70 HIS N N 115.874 0.300 1 752 71 71 ASN H H 8.213 0.030 1 753 71 71 ASN HA H 4.502 0.030 1 754 71 71 ASN HB2 H 2.764 0.030 2 755 71 71 ASN HB3 H 2.704 0.030 2 756 71 71 ASN HD21 H 7.705 0.030 2 757 71 71 ASN HD22 H 7.053 0.030 2 758 71 71 ASN C C 176.207 0.300 1 759 71 71 ASN CA C 54.344 0.300 1 760 71 71 ASN CB C 39.078 0.300 1 761 71 71 ASN N N 115.085 0.300 1 762 71 71 ASN ND2 N 113.144 0.300 1 763 72 72 ASN H H 7.520 0.030 1 764 72 72 ASN HA H 4.413 0.030 1 765 72 72 ASN HB2 H 2.101 0.030 2 766 72 72 ASN HB3 H 1.484 0.030 2 767 72 72 ASN HD21 H 6.674 0.030 2 768 72 72 ASN HD22 H 6.533 0.030 2 769 72 72 ASN C C 173.195 0.300 1 770 72 72 ASN CA C 53.991 0.300 1 771 72 72 ASN CB C 39.391 0.300 1 772 72 72 ASN N N 116.348 0.300 1 773 72 72 ASN ND2 N 115.332 0.300 1 774 73 73 LYS H H 7.154 0.030 1 775 73 73 LYS HA H 2.884 0.030 1 776 73 73 LYS HB2 H 1.605 0.030 2 777 73 73 LYS HB3 H 1.526 0.030 2 778 73 73 LYS HG2 H 1.051 0.030 2 779 73 73 LYS HG3 H 0.841 0.030 2 780 73 73 LYS HD2 H 1.519 0.030 1 781 73 73 LYS HD3 H 1.519 0.030 1 782 73 73 LYS HE2 H 2.819 0.030 1 783 73 73 LYS HE3 H 2.819 0.030 1 784 73 73 LYS C C 175.697 0.300 1 785 73 73 LYS CA C 56.883 0.300 1 786 73 73 LYS CB C 32.266 0.300 1 787 73 73 LYS CG C 23.812 0.300 1 788 73 73 LYS CD C 29.315 0.300 1 789 73 73 LYS CE C 42.092 0.300 1 790 73 73 LYS N N 120.294 0.300 1 791 74 74 HIS H H 7.609 0.030 1 792 74 74 HIS HA H 4.442 0.030 1 793 74 74 HIS HB2 H 3.010 0.030 2 794 74 74 HIS HB3 H 2.859 0.030 2 795 74 74 HIS HD2 H 6.981 0.030 1 796 74 74 HIS C C 174.459 0.300 1 797 74 74 HIS CA C 55.190 0.300 1 798 74 74 HIS CB C 29.107 0.300 1 799 74 74 HIS CD2 C 120.114 0.300 1 800 74 74 HIS N N 119.505 0.300 1 801 75 75 SER H H 8.054 0.030 1 802 75 75 SER HA H 3.776 0.030 1 803 75 75 SER C C 174.337 0.300 1 804 75 75 SER CA C 63.966 0.300 1 805 75 75 SER N N 116.821 0.300 1 806 76 76 GLY H H 8.189 0.030 1 807 76 76 GLY N N 110.750 0.300 1 808 77 77 PRO HA H 4.476 0.030 1 809 77 77 PRO HB2 H 2.305 0.030 2 810 77 77 PRO HB3 H 1.987 0.030 2 811 77 77 PRO HD2 H 3.634 0.030 2 812 77 77 PRO HD3 H 3.611 0.030 2 813 77 77 PRO CA C 63.329 0.300 1 814 77 77 PRO CB C 32.218 0.300 1 815 77 77 PRO CD C 49.833 0.300 1 816 78 78 SER H H 8.519 0.030 1 817 78 78 SER HA H 3.889 0.030 1 818 78 78 SER N N 116.356 0.300 1 stop_ save_