data_10282 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain of the human hypothetical protein FLJ21616 ; _BMRB_accession_number 10282 _BMRB_flat_file_name bmr10282.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 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 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" 501 "13C chemical shifts" 380 "15N chemical shifts" 89 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 of the human hypothetical protein FLJ21616 ; _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 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 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 'FLJ21616 protein' _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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GSSGSSGRGSRFTWRKECLA VMESYFNENQYPDEAKREEI ANACNAVIQKPGKKLSDLER VTSLKVYNWFANRRKEIKRR ANIAAILESSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 GLY 10 SER 11 ARG 12 PHE 13 THR 14 TRP 15 ARG 16 LYS 17 GLU 18 CYS 19 LEU 20 ALA 21 VAL 22 MET 23 GLU 24 SER 25 TYR 26 PHE 27 ASN 28 GLU 29 ASN 30 GLN 31 TYR 32 PRO 33 ASP 34 GLU 35 ALA 36 LYS 37 ARG 38 GLU 39 GLU 40 ILE 41 ALA 42 ASN 43 ALA 44 CYS 45 ASN 46 ALA 47 VAL 48 ILE 49 GLN 50 LYS 51 PRO 52 GLY 53 LYS 54 LYS 55 LEU 56 SER 57 ASP 58 LEU 59 GLU 60 ARG 61 VAL 62 THR 63 SER 64 LEU 65 LYS 66 VAL 67 TYR 68 ASN 69 TRP 70 PHE 71 ALA 72 ASN 73 ARG 74 ARG 75 LYS 76 GLU 77 ILE 78 LYS 79 ARG 80 ARG 81 ALA 82 ASN 83 ILE 84 ALA 85 ALA 86 ILE 87 LEU 88 GLU 89 SER 90 SER 91 GLY 92 PRO 93 SER 94 SER 95 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2CUF "Solution Structure Of The Homeobox Domain Of The Human Hypothetical Protein Flj21616" 100.00 95 100.00 100.00 1.96e-61 PDB 4J19 "Structure Of A Novel Telomere Repeat Binding Protein Bound To Dna" 82.11 113 98.72 98.72 3.70e-48 DBJ BAB15099 "unnamed protein product [Homo sapiens]" 89.47 324 97.65 97.65 6.44e-50 DBJ BAC35118 "unnamed protein product [Mus musculus]" 88.42 405 98.81 98.81 6.47e-51 DBJ BAC40961 "unnamed protein product [Mus musculus]" 88.42 419 98.81 98.81 2.31e-51 DBJ BAF83372 "unnamed protein product [Homo sapiens]" 89.47 420 97.65 97.65 1.29e-49 DBJ BAG58297 "unnamed protein product [Homo sapiens]" 88.42 443 98.81 98.81 5.54e-51 GB AAH02212 "Hmbox1 protein, partial [Mus musculus]" 88.42 313 98.81 98.81 2.05e-51 GB AAH09259 "HMBOX1 protein, partial [Homo sapiens]" 88.42 333 98.81 98.81 2.15e-51 GB AAH51457 "Hmbox1 protein [Mus musculus]" 89.47 404 97.65 97.65 2.80e-49 GB AAH69242 "Homeobox containing 1 [Homo sapiens]" 89.47 420 97.65 97.65 1.29e-49 GB AAH77394 "MGC81685 protein [Xenopus laevis]" 88.42 361 97.62 97.62 4.56e-49 REF NP_001086952 "homeobox containing 1 [Xenopus laevis]" 88.42 405 97.62 97.62 4.05e-49 REF NP_001087099 "homeobox containing 1 [Xenopus laevis]" 88.42 361 97.62 97.62 4.56e-49 REF NP_001129198 "homeobox-containing protein 1 [Homo sapiens]" 89.47 420 97.65 97.65 1.29e-49 REF NP_001179100 "homeobox-containing protein 1 [Bos taurus]" 89.47 420 97.65 97.65 1.29e-49 REF NP_001264645 "homeobox-containing protein 1 [Gallus gallus]" 88.42 454 98.81 98.81 1.25e-50 SP Q6NT76 "RecName: Full=Homeobox-containing protein 1" 89.47 420 97.65 97.65 1.29e-49 SP Q8BJA3 "RecName: Full=Homeobox-containing protein 1" 88.42 419 98.81 98.81 2.31e-51 TPG DAA27058 "TPA: homeobox containing 1 [Bos taurus]" 89.47 420 97.65 97.65 1.29e-49 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 P041004-01 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 1.40 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 0.9295 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 11 11 ARG HA H 4.442 0.030 1 2 11 11 ARG HB2 H 1.746 0.030 2 3 11 11 ARG HB3 H 1.867 0.030 2 4 11 11 ARG HD2 H 3.194 0.030 2 5 11 11 ARG HG2 H 1.606 0.030 2 6 11 11 ARG C C 175.365 0.300 1 7 11 11 ARG CA C 55.738 0.300 1 8 11 11 ARG CB C 31.419 0.300 1 9 11 11 ARG CD C 43.436 0.300 1 10 11 11 ARG CG C 26.895 0.300 1 11 12 12 PHE H H 8.430 0.030 1 12 12 12 PHE HA H 4.481 0.030 1 13 12 12 PHE HB2 H 3.075 0.030 2 14 12 12 PHE HB3 H 2.734 0.030 2 15 12 12 PHE HD1 H 6.789 0.030 1 16 12 12 PHE HD2 H 6.789 0.030 1 17 12 12 PHE HE1 H 6.172 0.030 1 18 12 12 PHE HE2 H 6.172 0.030 1 19 12 12 PHE HZ H 6.189 0.030 1 20 12 12 PHE C C 174.869 0.300 1 21 12 12 PHE CA C 58.525 0.300 1 22 12 12 PHE CB C 39.955 0.300 1 23 12 12 PHE CD1 C 131.507 0.300 1 24 12 12 PHE CD2 C 131.507 0.300 1 25 12 12 PHE CE1 C 131.311 0.300 1 26 12 12 PHE CE2 C 131.311 0.300 1 27 12 12 PHE CZ C 129.502 0.300 1 28 12 12 PHE N N 123.637 0.300 1 29 13 13 THR H H 7.543 0.030 1 30 13 13 THR HA H 4.216 0.030 1 31 13 13 THR HB H 3.802 0.030 1 32 13 13 THR HG2 H 1.064 0.030 1 33 13 13 THR C C 172.757 0.300 1 34 13 13 THR CA C 60.703 0.300 1 35 13 13 THR CB C 70.578 0.300 1 36 13 13 THR CG2 C 21.341 0.300 1 37 13 13 THR N N 122.237 0.300 1 38 14 14 TRP H H 8.427 0.030 1 39 14 14 TRP HA H 4.195 0.030 1 40 14 14 TRP HB2 H 3.060 0.030 2 41 14 14 TRP HB3 H 2.924 0.030 2 42 14 14 TRP HD1 H 7.570 0.030 1 43 14 14 TRP HE1 H 10.632 0.030 1 44 14 14 TRP HE3 H 7.300 0.030 1 45 14 14 TRP HH2 H 6.940 0.030 1 46 14 14 TRP HZ2 H 7.631 0.030 1 47 14 14 TRP HZ3 H 7.115 0.030 1 48 14 14 TRP C C 177.225 0.300 1 49 14 14 TRP CA C 57.137 0.300 1 50 14 14 TRP CB C 29.919 0.300 1 51 14 14 TRP CD1 C 127.352 0.300 1 52 14 14 TRP CE3 C 119.300 0.300 1 53 14 14 TRP CH2 C 124.582 0.300 1 54 14 14 TRP CZ2 C 114.832 0.300 1 55 14 14 TRP CZ3 C 122.329 0.300 1 56 14 14 TRP N N 125.363 0.300 1 57 14 14 TRP NE1 N 129.125 0.300 1 58 15 15 ARG H H 8.790 0.030 1 59 15 15 ARG HA H 4.436 0.030 1 60 15 15 ARG HB2 H 2.046 0.030 2 61 15 15 ARG HB3 H 2.346 0.030 2 62 15 15 ARG HD2 H 3.326 0.030 2 63 15 15 ARG HG2 H 1.847 0.030 2 64 15 15 ARG HG3 H 1.739 0.030 2 65 15 15 ARG C C 176.254 0.300 1 66 15 15 ARG CA C 54.848 0.300 1 67 15 15 ARG CB C 30.217 0.300 1 68 15 15 ARG CD C 42.514 0.300 1 69 15 15 ARG CG C 27.576 0.300 1 70 15 15 ARG N N 124.453 0.300 1 71 16 16 LYS H H 7.990 0.030 1 72 16 16 LYS HA H 3.949 0.030 1 73 16 16 LYS HB2 H 1.976 0.030 2 74 16 16 LYS HB3 H 1.869 0.030 2 75 16 16 LYS HD2 H 1.726 0.030 2 76 16 16 LYS HE2 H 3.011 0.030 2 77 16 16 LYS HG2 H 1.535 0.030 2 78 16 16 LYS HG3 H 1.536 0.030 2 79 16 16 LYS C C 179.133 0.300 1 80 16 16 LYS CA C 60.206 0.300 1 81 16 16 LYS CB C 32.102 0.300 1 82 16 16 LYS CD C 29.369 0.300 1 83 16 16 LYS CE C 42.164 0.300 1 84 16 16 LYS CG C 24.773 0.300 1 85 16 16 LYS N N 120.654 0.300 1 86 17 17 GLU H H 10.775 0.030 1 87 17 17 GLU HA H 4.126 0.030 1 88 17 17 GLU HB2 H 1.881 0.030 2 89 17 17 GLU HB3 H 2.037 0.030 2 90 17 17 GLU HG2 H 2.390 0.030 2 91 17 17 GLU HG3 H 2.608 0.030 2 92 17 17 GLU C C 179.581 0.300 1 93 17 17 GLU CA C 60.262 0.300 1 94 17 17 GLU CB C 28.944 0.300 1 95 17 17 GLU CG C 36.791 0.300 1 96 17 17 GLU N N 119.914 0.300 1 97 18 18 CYS H H 7.314 0.030 1 98 18 18 CYS HA H 4.166 0.030 1 99 18 18 CYS HB2 H 3.399 0.030 2 100 18 18 CYS HB3 H 3.400 0.030 2 101 18 18 CYS C C 176.250 0.300 1 102 18 18 CYS CA C 61.093 0.300 1 103 18 18 CYS CB C 27.636 0.300 1 104 18 18 CYS N N 115.339 0.300 1 105 19 19 LEU H H 7.975 0.030 1 106 19 19 LEU HA H 3.365 0.030 1 107 19 19 LEU HB2 H 1.884 0.030 2 108 19 19 LEU HB3 H 1.462 0.030 2 109 19 19 LEU HD1 H 0.900 0.030 1 110 19 19 LEU HD2 H 0.397 0.030 1 111 19 19 LEU HG H 1.599 0.030 1 112 19 19 LEU C C 178.119 0.300 1 113 19 19 LEU CA C 58.084 0.300 1 114 19 19 LEU CB C 40.713 0.300 1 115 19 19 LEU CD1 C 25.259 0.300 2 116 19 19 LEU CD2 C 22.644 0.300 2 117 19 19 LEU CG C 26.754 0.300 1 118 19 19 LEU N N 120.346 0.300 1 119 20 20 ALA H H 7.481 0.030 1 120 20 20 ALA HA H 4.079 0.030 1 121 20 20 ALA HB H 1.459 0.030 1 122 20 20 ALA C C 180.800 0.300 1 123 20 20 ALA CA C 55.172 0.300 1 124 20 20 ALA CB C 17.975 0.300 1 125 20 20 ALA N N 119.101 0.300 1 126 21 21 VAL H H 6.932 0.030 1 127 21 21 VAL HA H 3.752 0.030 1 128 21 21 VAL HB H 2.497 0.030 1 129 21 21 VAL HG1 H 1.116 0.030 1 130 21 21 VAL HG2 H 1.174 0.030 1 131 21 21 VAL C C 178.850 0.300 1 132 21 21 VAL CA C 66.018 0.300 1 133 21 21 VAL CB C 32.168 0.300 1 134 21 21 VAL CG1 C 22.615 0.300 2 135 21 21 VAL CG2 C 22.644 0.300 2 136 21 21 VAL N N 118.965 0.300 1 137 22 22 MET H H 7.925 0.030 1 138 22 22 MET HA H 3.894 0.030 1 139 22 22 MET HB2 H 0.945 0.030 2 140 22 22 MET HB3 H 0.550 0.030 2 141 22 22 MET HE H 0.169 0.030 1 142 22 22 MET HG2 H 1.608 0.030 2 143 22 22 MET HG3 H 1.801 0.030 2 144 22 22 MET C C 177.997 0.300 1 145 22 22 MET CA C 60.060 0.300 1 146 22 22 MET CB C 30.494 0.300 1 147 22 22 MET CE C 16.233 0.300 1 148 22 22 MET CG C 32.532 0.300 1 149 22 22 MET N N 118.668 0.300 1 150 23 23 GLU H H 8.452 0.030 1 151 23 23 GLU HA H 4.048 0.030 1 152 23 23 GLU HB2 H 2.041 0.030 2 153 23 23 GLU HB3 H 1.998 0.030 2 154 23 23 GLU HG2 H 2.345 0.030 2 155 23 23 GLU HG3 H 2.306 0.030 2 156 23 23 GLU C C 178.809 0.300 1 157 23 23 GLU CA C 59.676 0.300 1 158 23 23 GLU CB C 29.289 0.300 1 159 23 23 GLU CG C 35.832 0.300 1 160 23 23 GLU N N 118.239 0.300 1 161 24 24 SER H H 7.431 0.030 1 162 24 24 SER HA H 4.279 0.030 1 163 24 24 SER HB2 H 3.984 0.030 2 164 24 24 SER HB3 H 3.950 0.030 2 165 24 24 SER C C 177.916 0.300 1 166 24 24 SER CA C 61.785 0.300 1 167 24 24 SER CB C 62.616 0.300 1 168 24 24 SER N N 113.792 0.300 1 169 25 25 TYR H H 7.845 0.030 1 170 25 25 TYR HA H 4.354 0.030 1 171 25 25 TYR HB2 H 3.151 0.030 2 172 25 25 TYR HB3 H 3.436 0.030 2 173 25 25 TYR HD1 H 7.369 0.030 1 174 25 25 TYR HD2 H 7.369 0.030 1 175 25 25 TYR HE1 H 6.700 0.030 1 176 25 25 TYR HE2 H 6.700 0.030 1 177 25 25 TYR C C 178.789 0.300 1 178 25 25 TYR CA C 63.193 0.300 1 179 25 25 TYR CB C 38.706 0.300 1 180 25 25 TYR CD1 C 133.852 0.300 1 181 25 25 TYR CD2 C 133.852 0.300 1 182 25 25 TYR CE1 C 118.155 0.300 1 183 25 25 TYR CE2 C 118.155 0.300 1 184 25 25 TYR N N 120.184 0.300 1 185 26 26 PHE H H 9.279 0.030 1 186 26 26 PHE HA H 4.237 0.030 1 187 26 26 PHE HB2 H 2.906 0.030 2 188 26 26 PHE HB3 H 3.163 0.030 2 189 26 26 PHE HD1 H 6.899 0.030 1 190 26 26 PHE HD2 H 6.899 0.030 1 191 26 26 PHE HE1 H 7.119 0.030 1 192 26 26 PHE HE2 H 7.119 0.030 1 193 26 26 PHE HZ H 6.762 0.030 1 194 26 26 PHE C C 175.885 0.300 1 195 26 26 PHE CA C 62.008 0.300 1 196 26 26 PHE CB C 39.072 0.300 1 197 26 26 PHE CD1 C 132.382 0.300 1 198 26 26 PHE CD2 C 132.382 0.300 1 199 26 26 PHE CE1 C 130.774 0.300 1 200 26 26 PHE CE2 C 130.774 0.300 1 201 26 26 PHE CZ C 129.468 0.300 1 202 26 26 PHE N N 123.634 0.300 1 203 27 27 ASN H H 7.807 0.030 1 204 27 27 ASN HA H 4.409 0.030 1 205 27 27 ASN HB2 H 2.874 0.030 2 206 27 27 ASN HB3 H 2.874 0.030 2 207 27 27 ASN HD21 H 7.661 0.030 2 208 27 27 ASN HD22 H 7.018 0.030 2 209 27 27 ASN C C 176.108 0.300 1 210 27 27 ASN CA C 55.307 0.300 1 211 27 27 ASN CB C 38.810 0.300 1 212 27 27 ASN N N 112.896 0.300 1 213 27 27 ASN ND2 N 113.238 0.300 1 214 28 28 GLU H H 7.431 0.030 1 215 28 28 GLU HA H 4.274 0.030 1 216 28 28 GLU HB2 H 2.211 0.030 2 217 28 28 GLU HB3 H 2.147 0.030 2 218 28 28 GLU HG2 H 2.394 0.030 2 219 28 28 GLU HG3 H 2.220 0.030 2 220 28 28 GLU C C 176.880 0.300 1 221 28 28 GLU CA C 57.875 0.300 1 222 28 28 GLU CB C 30.965 0.300 1 223 28 28 GLU CG C 36.155 0.300 1 224 28 28 GLU N N 117.899 0.300 1 225 29 29 ASN H H 7.950 0.030 1 226 29 29 ASN HA H 4.562 0.030 1 227 29 29 ASN HB2 H 2.843 0.030 2 228 29 29 ASN HB3 H 2.986 0.030 2 229 29 29 ASN HD21 H 7.740 0.030 2 230 29 29 ASN HD22 H 6.731 0.030 2 231 29 29 ASN C C 174.036 0.300 1 232 29 29 ASN CA C 53.654 0.300 1 233 29 29 ASN CB C 39.361 0.300 1 234 29 29 ASN N N 116.656 0.300 1 235 29 29 ASN ND2 N 111.253 0.300 1 236 30 30 GLN H H 8.658 0.030 1 237 30 30 GLN HA H 3.848 0.030 1 238 30 30 GLN HB2 H 1.545 0.030 2 239 30 30 GLN HB3 H 1.482 0.030 2 240 30 30 GLN HE21 H 7.330 0.030 2 241 30 30 GLN HE22 H 6.414 0.030 2 242 30 30 GLN HG2 H 1.748 0.030 2 243 30 30 GLN HG3 H 0.914 0.030 2 244 30 30 GLN C C 174.503 0.300 1 245 30 30 GLN CA C 57.336 0.300 1 246 30 30 GLN CB C 27.978 0.300 1 247 30 30 GLN CG C 33.631 0.300 1 248 30 30 GLN N N 122.486 0.300 1 249 30 30 GLN NE2 N 109.949 0.300 1 250 31 31 TYR H H 8.181 0.030 1 251 31 31 TYR HA H 4.769 0.030 1 252 31 31 TYR HB2 H 2.690 0.030 2 253 31 31 TYR HB3 H 3.045 0.030 2 254 31 31 TYR HD1 H 7.053 0.030 1 255 31 31 TYR HD2 H 7.053 0.030 1 256 31 31 TYR HE1 H 6.773 0.030 1 257 31 31 TYR HE2 H 6.773 0.030 1 258 31 31 TYR C C 172.816 0.300 1 259 31 31 TYR CA C 55.409 0.300 1 260 31 31 TYR CB C 38.938 0.300 1 261 31 31 TYR CD1 C 133.582 0.300 1 262 31 31 TYR CD2 C 133.582 0.300 1 263 31 31 TYR CE1 C 118.121 0.300 1 264 31 31 TYR CE2 C 118.121 0.300 1 265 31 31 TYR N N 116.012 0.300 1 266 32 32 PRO HA H 4.320 0.030 1 267 32 32 PRO HB2 H 1.424 0.030 2 268 32 32 PRO HB3 H 1.801 0.030 2 269 32 32 PRO HD2 H 3.039 0.030 2 270 32 32 PRO HD3 H 3.161 0.030 2 271 32 32 PRO HG2 H 1.174 0.030 2 272 32 32 PRO HG3 H 0.138 0.030 2 273 32 32 PRO C C 177.530 0.300 1 274 32 32 PRO CA C 63.041 0.300 1 275 32 32 PRO CB C 31.052 0.300 1 276 32 32 PRO CD C 50.996 0.300 1 277 32 32 PRO CG C 25.962 0.300 1 278 33 33 ASP H H 8.439 0.030 1 279 33 33 ASP HA H 4.475 0.030 1 280 33 33 ASP HB2 H 2.840 0.030 2 281 33 33 ASP HB3 H 3.228 0.030 2 282 33 33 ASP C C 175.397 0.300 1 283 33 33 ASP CA C 52.562 0.300 1 284 33 33 ASP CB C 40.363 0.300 1 285 33 33 ASP N N 125.278 0.300 1 286 34 34 GLU H H 8.644 0.030 1 287 34 34 GLU HA H 3.613 0.030 1 288 34 34 GLU HB2 H 1.994 0.030 2 289 34 34 GLU HB3 H 2.063 0.030 2 290 34 34 GLU HG2 H 2.247 0.030 2 291 34 34 GLU HG3 H 2.335 0.030 2 292 34 34 GLU C C 178.261 0.300 1 293 34 34 GLU CA C 61.565 0.300 1 294 34 34 GLU CB C 29.289 0.300 1 295 34 34 GLU CG C 36.565 0.300 1 296 34 34 GLU N N 118.756 0.300 1 297 35 35 ALA H H 8.121 0.030 1 298 35 35 ALA HA H 4.155 0.030 1 299 35 35 ALA HB H 1.451 0.030 1 300 35 35 ALA C C 181.307 0.300 1 301 35 35 ALA CA C 54.953 0.300 1 302 35 35 ALA CB C 17.975 0.300 1 303 35 35 ALA N N 121.196 0.300 1 304 36 36 LYS H H 8.448 0.030 1 305 36 36 LYS HA H 4.157 0.030 1 306 36 36 LYS HB2 H 1.872 0.030 2 307 36 36 LYS HB3 H 1.934 0.030 2 308 36 36 LYS HD2 H 1.761 0.030 2 309 36 36 LYS HD3 H 1.815 0.030 2 310 36 36 LYS HE2 H 2.925 0.030 2 311 36 36 LYS HE3 H 3.090 0.030 2 312 36 36 LYS HG2 H 1.295 0.030 2 313 36 36 LYS HG3 H 1.556 0.030 2 314 36 36 LYS C C 178.769 0.300 1 315 36 36 LYS CA C 56.576 0.300 1 316 36 36 LYS CB C 29.689 0.300 1 317 36 36 LYS CD C 26.929 0.300 1 318 36 36 LYS CE C 41.461 0.300 1 319 36 36 LYS CG C 23.722 0.300 1 320 36 36 LYS N N 121.690 0.300 1 321 37 37 ARG H H 8.977 0.030 1 322 37 37 ARG HA H 3.711 0.030 1 323 37 37 ARG HB2 H 2.189 0.030 2 324 37 37 ARG HB3 H 1.623 0.030 2 325 37 37 ARG HD2 H 3.198 0.030 2 326 37 37 ARG HD3 H 3.383 0.030 2 327 37 37 ARG HG2 H 0.752 0.030 2 328 37 37 ARG HG3 H 2.137 0.030 2 329 37 37 ARG C C 178.444 0.300 1 330 37 37 ARG CA C 61.131 0.300 1 331 37 37 ARG CB C 30.941 0.300 1 332 37 37 ARG CD C 44.403 0.300 1 333 37 37 ARG CG C 30.167 0.300 1 334 37 37 ARG N N 117.588 0.300 1 335 38 38 GLU H H 7.750 0.030 1 336 38 38 GLU HA H 4.083 0.030 1 337 38 38 GLU HB2 H 2.173 0.030 2 338 38 38 GLU HB3 H 2.113 0.030 2 339 38 38 GLU HG2 H 2.363 0.030 2 340 38 38 GLU HG3 H 2.419 0.030 2 341 38 38 GLU C C 178.301 0.300 1 342 38 38 GLU CA C 59.321 0.300 1 343 38 38 GLU CB C 29.013 0.300 1 344 38 38 GLU CG C 35.429 0.300 1 345 38 38 GLU N N 119.080 0.300 1 346 39 39 GLU H H 7.540 0.030 1 347 39 39 GLU HA H 4.048 0.030 1 348 39 39 GLU HB2 H 2.318 0.030 2 349 39 39 GLU HB3 H 2.245 0.030 2 350 39 39 GLU HG2 H 2.485 0.030 2 351 39 39 GLU HG3 H 2.061 0.030 2 352 39 39 GLU C C 179.784 0.300 1 353 39 39 GLU CA C 59.646 0.300 1 354 39 39 GLU CB C 29.409 0.300 1 355 39 39 GLU CG C 35.642 0.300 1 356 39 39 GLU N N 121.188 0.300 1 357 40 40 ILE H H 8.634 0.030 1 358 40 40 ILE HA H 3.133 0.030 1 359 40 40 ILE HB H 1.572 0.030 1 360 40 40 ILE HD1 H 0.715 0.030 1 361 40 40 ILE HG12 H 1.179 0.030 2 362 40 40 ILE HG13 H -0.986 0.030 2 363 40 40 ILE HG2 H 0.341 0.030 1 364 40 40 ILE C C 178.119 0.300 1 365 40 40 ILE CA C 65.462 0.300 1 366 40 40 ILE CB C 37.951 0.300 1 367 40 40 ILE CD1 C 18.983 0.300 1 368 40 40 ILE CG1 C 26.349 0.300 1 369 40 40 ILE CG2 C 14.677 0.300 1 370 40 40 ILE N N 121.126 0.300 1 371 41 41 ALA H H 8.462 0.030 1 372 41 41 ALA HA H 3.713 0.030 1 373 41 41 ALA HB H 1.236 0.030 1 374 41 41 ALA C C 178.850 0.300 1 375 41 41 ALA CA C 56.014 0.300 1 376 41 41 ALA CB C 16.779 0.300 1 377 41 41 ALA N N 123.029 0.300 1 378 42 42 ASN H H 8.264 0.030 1 379 42 42 ASN HA H 4.521 0.030 1 380 42 42 ASN HB2 H 2.977 0.030 2 381 42 42 ASN HB3 H 2.857 0.030 2 382 42 42 ASN HD21 H 7.683 0.030 2 383 42 42 ASN HD22 H 7.104 0.030 2 384 42 42 ASN C C 178.220 0.300 1 385 42 42 ASN CA C 56.193 0.300 1 386 42 42 ASN CB C 37.775 0.300 1 387 42 42 ASN N N 115.462 0.300 1 388 42 42 ASN ND2 N 113.344 0.300 1 389 43 43 ALA H H 8.403 0.030 1 390 43 43 ALA HA H 4.273 0.030 1 391 43 43 ALA HB H 1.743 0.030 1 392 43 43 ALA C C 180.962 0.300 1 393 43 43 ALA CA C 55.200 0.300 1 394 43 43 ALA CB C 18.478 0.300 1 395 43 43 ALA N N 125.139 0.300 1 396 44 44 CYS H H 8.457 0.030 1 397 44 44 CYS HA H 4.156 0.030 1 398 44 44 CYS HB2 H 3.173 0.030 2 399 44 44 CYS HB3 H 3.397 0.030 2 400 44 44 CYS C C 176.534 0.300 1 401 44 44 CYS CA C 64.768 0.300 1 402 44 44 CYS CB C 27.644 0.300 1 403 44 44 CYS N N 116.609 0.300 1 404 45 45 ASN H H 8.346 0.030 1 405 45 45 ASN HA H 4.613 0.030 1 406 45 45 ASN HB2 H 2.749 0.030 2 407 45 45 ASN HB3 H 2.682 0.030 2 408 45 45 ASN HD21 H 7.460 0.030 2 409 45 45 ASN HD22 H 7.384 0.030 2 410 45 45 ASN C C 177.631 0.300 1 411 45 45 ASN CA C 55.723 0.300 1 412 45 45 ASN CB C 37.526 0.300 1 413 45 45 ASN N N 117.491 0.300 1 414 45 45 ASN ND2 N 111.466 0.300 1 415 46 46 ALA H H 8.014 0.030 1 416 46 46 ALA HA H 4.200 0.030 1 417 46 46 ALA HB H 1.548 0.030 1 418 46 46 ALA C C 180.292 0.300 1 419 46 46 ALA CA C 54.805 0.300 1 420 46 46 ALA CB C 18.283 0.300 1 421 46 46 ALA N N 120.198 0.300 1 422 47 47 VAL H H 7.240 0.030 1 423 47 47 VAL HA H 4.306 0.030 1 424 47 47 VAL HB H 2.402 0.030 1 425 47 47 VAL HG1 H 1.054 0.030 1 426 47 47 VAL HG2 H 1.144 0.030 1 427 47 47 VAL C C 177.083 0.300 1 428 47 47 VAL CA C 63.484 0.300 1 429 47 47 VAL CB C 31.935 0.300 1 430 47 47 VAL CG1 C 21.858 0.300 2 431 47 47 VAL CG2 C 21.109 0.300 2 432 47 47 VAL N N 110.165 0.300 1 433 48 48 ILE H H 7.146 0.030 1 434 48 48 ILE HA H 4.473 0.030 1 435 48 48 ILE HB H 2.045 0.030 1 436 48 48 ILE HD1 H 0.953 0.030 1 437 48 48 ILE HG12 H 1.450 0.030 2 438 48 48 ILE HG13 H 1.497 0.030 2 439 48 48 ILE HG2 H 0.923 0.030 1 440 48 48 ILE C C 175.966 0.300 1 441 48 48 ILE CA C 62.055 0.300 1 442 48 48 ILE CB C 39.444 0.300 1 443 48 48 ILE CD1 C 14.568 0.300 1 444 48 48 ILE CG1 C 26.276 0.300 1 445 48 48 ILE CG2 C 19.713 0.300 1 446 48 48 ILE N N 112.085 0.300 1 447 49 49 GLN H H 7.671 0.030 1 448 49 49 GLN HA H 4.254 0.030 1 449 49 49 GLN HB2 H 2.114 0.030 2 450 49 49 GLN HB3 H 2.072 0.030 2 451 49 49 GLN HE21 H 7.535 0.030 2 452 49 49 GLN HE22 H 6.763 0.030 2 453 49 49 GLN HG2 H 2.435 0.030 2 454 49 49 GLN HG3 H 2.255 0.030 2 455 49 49 GLN C C 175.417 0.300 1 456 49 49 GLN CA C 56.370 0.300 1 457 49 49 GLN CB C 29.289 0.300 1 458 49 49 GLN CG C 33.921 0.300 1 459 49 49 GLN N N 123.076 0.300 1 460 49 49 GLN NE2 N 112.362 0.300 1 461 50 50 LYS H H 8.932 0.030 1 462 50 50 LYS HA H 4.760 0.030 1 463 50 50 LYS HB2 H 1.639 0.030 2 464 50 50 LYS HB3 H 1.837 0.030 2 465 50 50 LYS HD2 H 1.527 0.030 2 466 50 50 LYS HE2 H 3.009 0.030 2 467 50 50 LYS HG2 H 1.457 0.030 2 468 50 50 LYS C C 174.497 0.300 1 469 50 50 LYS CA C 53.341 0.300 1 470 50 50 LYS CB C 32.860 0.300 1 471 50 50 LYS CE C 42.202 0.300 1 472 50 50 LYS N N 127.505 0.300 1 473 51 51 PRO HA H 4.328 0.030 1 474 51 51 PRO HB2 H 1.903 0.030 2 475 51 51 PRO HB3 H 2.297 0.030 2 476 51 51 PRO HD2 H 3.632 0.030 2 477 51 51 PRO HD3 H 3.882 0.030 2 478 51 51 PRO HG2 H 2.027 0.030 2 479 51 51 PRO HG3 H 2.143 0.030 2 480 51 51 PRO CA C 64.015 0.300 1 481 51 51 PRO CB C 31.590 0.300 1 482 51 51 PRO CD C 50.656 0.300 1 483 51 51 PRO CG C 27.827 0.300 1 484 52 52 GLY H H 8.752 0.030 1 485 52 52 GLY HA2 H 4.113 0.030 2 486 52 52 GLY HA3 H 3.728 0.030 2 487 52 52 GLY C C 173.732 0.300 1 488 52 52 GLY CA C 45.646 0.300 1 489 53 53 LYS H H 7.734 0.030 1 490 53 53 LYS HA H 4.621 0.030 1 491 53 53 LYS HB2 H 1.707 0.030 2 492 53 53 LYS HB3 H 1.799 0.030 2 493 53 53 LYS HD2 H 1.650 0.030 2 494 53 53 LYS HE2 H 2.985 0.030 2 495 53 53 LYS HG2 H 1.301 0.030 2 496 53 53 LYS HG3 H 1.362 0.030 2 497 53 53 LYS C C 175.681 0.300 1 498 53 53 LYS CA C 54.451 0.300 1 499 53 53 LYS CB C 34.466 0.300 1 500 53 53 LYS CD C 28.901 0.300 1 501 53 53 LYS CE C 42.256 0.300 1 502 53 53 LYS CG C 24.547 0.300 1 503 53 53 LYS N N 120.205 0.300 1 504 54 54 LYS H H 8.536 0.030 1 505 54 54 LYS HA H 4.412 0.030 1 506 54 54 LYS HB2 H 1.732 0.030 2 507 54 54 LYS HB3 H 1.692 0.030 2 508 54 54 LYS HD2 H 1.661 0.030 2 509 54 54 LYS HD3 H 1.661 0.030 2 510 54 54 LYS HE2 H 2.981 0.030 2 511 54 54 LYS HG2 H 1.410 0.030 2 512 54 54 LYS C C 177.022 0.300 1 513 54 54 LYS CA C 55.691 0.300 1 514 54 54 LYS CB C 33.453 0.300 1 515 54 54 LYS CD C 29.101 0.300 1 516 54 54 LYS CE C 42.177 0.300 1 517 54 54 LYS CG C 24.715 0.300 1 518 54 54 LYS N N 124.424 0.300 1 519 55 55 LEU H H 8.656 0.030 1 520 55 55 LEU HA H 4.407 0.030 1 521 55 55 LEU HB2 H 1.589 0.030 2 522 55 55 LEU HB3 H 1.404 0.030 2 523 55 55 LEU HD1 H 0.898 0.030 1 524 55 55 LEU HD2 H 0.812 0.030 1 525 55 55 LEU HG H 1.703 0.030 1 526 55 55 LEU C C 177.448 0.300 1 527 55 55 LEU CA C 54.670 0.300 1 528 55 55 LEU CB C 43.243 0.300 1 529 55 55 LEU CD1 C 25.710 0.300 2 530 55 55 LEU CD2 C 23.841 0.300 2 531 55 55 LEU CG C 26.702 0.300 1 532 55 55 LEU N N 126.145 0.300 1 533 56 56 SER H H 9.313 0.030 1 534 56 56 SER HA H 4.496 0.030 1 535 56 56 SER HB2 H 4.275 0.030 2 536 56 56 SER HB3 H 3.959 0.030 2 537 56 56 SER C C 175.226 0.300 1 538 56 56 SER CA C 57.507 0.300 1 539 56 56 SER CB C 64.802 0.300 1 540 56 56 SER N N 121.790 0.300 1 541 57 57 ASP H H 8.929 0.030 1 542 57 57 ASP HA H 4.314 0.030 1 543 57 57 ASP HB2 H 2.620 0.030 2 544 57 57 ASP HB3 H 2.698 0.030 2 545 57 57 ASP C C 177.855 0.300 1 546 57 57 ASP CA C 57.403 0.300 1 547 57 57 ASP CB C 40.353 0.300 1 548 58 58 LEU H H 7.824 0.030 1 549 58 58 LEU HA H 4.194 0.030 1 550 58 58 LEU HB2 H 1.566 0.030 2 551 58 58 LEU HB3 H 1.597 0.030 2 552 58 58 LEU HD1 H 0.896 0.030 1 553 58 58 LEU HD2 H 0.831 0.030 1 554 58 58 LEU HG H 1.642 0.030 1 555 58 58 LEU C C 177.509 0.300 1 556 58 58 LEU CA C 56.754 0.300 1 557 58 58 LEU CB C 42.259 0.300 1 558 58 58 LEU CD1 C 24.747 0.300 2 559 58 58 LEU CD2 C 23.789 0.300 2 560 58 58 LEU CG C 27.128 0.300 1 561 58 58 LEU N N 117.552 0.300 1 562 59 59 GLU H H 7.325 0.030 1 563 59 59 GLU HA H 4.286 0.030 1 564 59 59 GLU HB2 H 2.079 0.030 2 565 59 59 GLU HB3 H 1.957 0.030 2 566 59 59 GLU HG2 H 2.127 0.030 2 567 59 59 GLU HG3 H 2.287 0.030 2 568 59 59 GLU C C 175.661 0.300 1 569 59 59 GLU CA C 56.370 0.300 1 570 59 59 GLU CB C 32.314 0.300 1 571 59 59 GLU CG C 36.707 0.300 1 572 59 59 GLU N N 115.631 0.300 1 573 60 60 ARG H H 7.408 0.030 1 574 60 60 ARG HA H 3.948 0.030 1 575 60 60 ARG HB2 H 1.694 0.030 2 576 60 60 ARG HB3 H 1.694 0.030 2 577 60 60 ARG HD2 H 3.194 0.030 2 578 60 60 ARG HD3 H 3.174 0.030 2 579 60 60 ARG HG2 H 1.429 0.030 2 580 60 60 ARG HG3 H 1.519 0.030 2 581 60 60 ARG C C 175.194 0.300 1 582 60 60 ARG CA C 57.167 0.300 1 583 60 60 ARG CB C 31.083 0.300 1 584 60 60 ARG CD C 43.306 0.300 1 585 60 60 ARG CG C 27.827 0.300 1 586 60 60 ARG N N 118.018 0.300 1 587 61 61 VAL H H 10.175 0.030 1 588 61 61 VAL HA H 3.462 0.030 1 589 61 61 VAL HB H 2.149 0.030 1 590 61 61 VAL HG1 H 1.247 0.030 1 591 61 61 VAL HG2 H 1.181 0.030 1 592 61 61 VAL C C 175.681 0.300 1 593 61 61 VAL CA C 65.077 0.300 1 594 61 61 VAL CB C 31.702 0.300 1 595 61 61 VAL CG1 C 24.276 0.300 2 596 61 61 VAL CG2 C 23.203 0.300 2 597 61 61 VAL N N 128.658 0.300 1 598 62 62 THR H H 6.270 0.030 1 599 62 62 THR HA H 4.780 0.030 1 600 62 62 THR HB H 4.684 0.030 1 601 62 62 THR HG2 H 1.107 0.030 1 602 62 62 THR C C 175.064 0.300 1 603 62 62 THR CA C 58.600 0.300 1 604 62 62 THR CB C 72.355 0.300 1 605 62 62 THR CG2 C 21.555 0.300 1 606 62 62 THR N N 114.178 0.300 1 607 63 63 SER HA H 3.869 0.030 1 608 63 63 SER HB2 H 3.794 0.030 2 609 63 63 SER HB3 H 3.903 0.030 2 610 63 63 SER C C 176.656 0.300 1 611 63 63 SER CA C 61.433 0.300 1 612 63 63 SER CB C 62.197 0.300 1 613 64 64 LEU H H 8.062 0.030 1 614 64 64 LEU HA H 4.367 0.030 1 615 64 64 LEU HB2 H 1.661 0.030 2 616 64 64 LEU HB3 H 1.622 0.030 2 617 64 64 LEU HD1 H 0.938 0.030 1 618 64 64 LEU HD2 H 0.900 0.030 1 619 64 64 LEU HG H 1.621 0.030 1 620 64 64 LEU C C 178.789 0.300 1 621 64 64 LEU CA C 57.964 0.300 1 622 64 64 LEU CB C 42.052 0.300 1 623 64 64 LEU CD1 C 23.486 0.300 2 624 64 64 LEU CD2 C 25.212 0.300 2 625 64 64 LEU CG C 27.057 0.300 1 626 64 64 LEU N N 123.294 0.300 1 627 65 65 LYS H H 7.524 0.030 1 628 65 65 LYS HA H 4.292 0.030 1 629 65 65 LYS HB2 H 1.682 0.030 2 630 65 65 LYS HB3 H 2.004 0.030 2 631 65 65 LYS HD2 H 1.057 0.030 2 632 65 65 LYS HD3 H 0.306 0.030 2 633 65 65 LYS HE2 H 2.285 0.030 2 634 65 65 LYS HE3 H 2.458 0.030 2 635 65 65 LYS HG2 H 1.144 0.030 2 636 65 65 LYS HG3 H 1.266 0.030 2 637 65 65 LYS C C 180.779 0.300 1 638 65 65 LYS CA C 60.266 0.300 1 639 65 65 LYS CB C 32.808 0.300 1 640 65 65 LYS CD C 29.332 0.300 1 641 65 65 LYS CE C 42.292 0.300 1 642 65 65 LYS CG C 26.086 0.300 1 643 65 65 LYS N N 119.262 0.300 1 644 66 66 VAL H H 8.290 0.030 1 645 66 66 VAL HA H 4.075 0.030 1 646 66 66 VAL HB H 2.438 0.030 1 647 66 66 VAL HG1 H 0.938 0.030 1 648 66 66 VAL HG2 H 1.182 0.030 1 649 66 66 VAL C C 177.509 0.300 1 650 66 66 VAL CA C 66.963 0.300 1 651 66 66 VAL CB C 32.419 0.300 1 652 66 66 VAL CG1 C 22.558 0.300 2 653 66 66 VAL CG2 C 22.701 0.300 2 654 66 66 VAL N N 119.900 0.300 1 655 67 67 TYR H H 8.893 0.030 1 656 67 67 TYR HA H 3.857 0.030 1 657 67 67 TYR HB2 H 3.056 0.030 2 658 67 67 TYR HB3 H 3.631 0.030 2 659 67 67 TYR HD1 H 7.039 0.030 1 660 67 67 TYR HD2 H 7.039 0.030 1 661 67 67 TYR HE1 H 6.902 0.030 1 662 67 67 TYR HE2 H 6.902 0.030 1 663 67 67 TYR C C 177.956 0.300 1 664 67 67 TYR CA C 62.897 0.300 1 665 67 67 TYR CB C 38.326 0.300 1 666 67 67 TYR CD1 C 133.127 0.300 1 667 67 67 TYR CD2 C 133.127 0.300 1 668 67 67 TYR CE1 C 118.604 0.300 1 669 67 67 TYR CE2 C 118.604 0.300 1 670 67 67 TYR N N 120.861 0.300 1 671 68 68 ASN H H 8.561 0.030 1 672 68 68 ASN HA H 4.545 0.030 1 673 68 68 ASN HB2 H 3.045 0.030 2 674 68 68 ASN HB3 H 3.175 0.030 2 675 68 68 ASN HD21 H 7.819 0.030 2 676 68 68 ASN HD22 H 6.989 0.030 2 677 68 68 ASN C C 177.570 0.300 1 678 68 68 ASN CA C 56.222 0.300 1 679 68 68 ASN CB C 38.465 0.300 1 680 68 68 ASN N N 117.386 0.300 1 681 68 68 ASN ND2 N 112.278 0.300 1 682 69 69 TRP H H 8.655 0.030 1 683 69 69 TRP HA H 4.151 0.030 1 684 69 69 TRP HB2 H 3.337 0.030 2 685 69 69 TRP HB3 H 3.430 0.030 2 686 69 69 TRP HD1 H 6.287 0.030 1 687 69 69 TRP HE1 H 9.118 0.030 1 688 69 69 TRP HE3 H 6.912 0.030 1 689 69 69 TRP HH2 H 6.320 0.030 1 690 69 69 TRP HZ2 H 7.002 0.030 1 691 69 69 TRP HZ3 H 5.596 0.030 1 692 69 69 TRP C C 179.764 0.300 1 693 69 69 TRP CA C 63.194 0.300 1 694 69 69 TRP CB C 29.720 0.300 1 695 69 69 TRP CD1 C 126.672 0.300 1 696 69 69 TRP CE3 C 121.923 0.300 1 697 69 69 TRP CH2 C 122.920 0.300 1 698 69 69 TRP CZ2 C 113.613 0.300 1 699 69 69 TRP CZ3 C 120.039 0.300 1 700 69 69 TRP N N 123.454 0.300 1 701 69 69 TRP NE1 N 128.961 0.300 1 702 70 70 PHE H H 9.166 0.030 1 703 70 70 PHE HA H 3.745 0.030 1 704 70 70 PHE HB2 H 2.888 0.030 2 705 70 70 PHE HB3 H 3.409 0.030 2 706 70 70 PHE HD1 H 7.831 0.030 1 707 70 70 PHE HD2 H 7.831 0.030 1 708 70 70 PHE HE1 H 7.580 0.030 1 709 70 70 PHE HE2 H 7.580 0.030 1 710 70 70 PHE HZ H 7.400 0.030 1 711 70 70 PHE C C 177.469 0.300 1 712 70 70 PHE CA C 62.862 0.300 1 713 70 70 PHE CB C 39.115 0.300 1 714 70 70 PHE CD1 C 132.675 0.300 1 715 70 70 PHE CD2 C 132.675 0.300 1 716 70 70 PHE CE1 C 131.748 0.300 1 717 70 70 PHE CE2 C 131.748 0.300 1 718 70 70 PHE CZ C 130.055 0.300 1 719 70 70 PHE N N 120.259 0.300 1 720 71 71 ALA H H 8.169 0.030 1 721 71 71 ALA HA H 3.868 0.030 1 722 71 71 ALA HB H 1.287 0.030 1 723 71 71 ALA C C 180.698 0.300 1 724 71 71 ALA CA C 55.307 0.300 1 725 71 71 ALA CB C 17.697 0.300 1 726 71 71 ALA N N 120.051 0.300 1 727 72 72 ASN H H 7.789 0.030 1 728 72 72 ASN HA H 4.280 0.030 1 729 72 72 ASN HB2 H 2.558 0.030 2 730 72 72 ASN HB3 H 2.634 0.030 2 731 72 72 ASN HD21 H 7.517 0.030 2 732 72 72 ASN HD22 H 6.867 0.030 2 733 72 72 ASN C C 177.022 0.300 1 734 72 72 ASN CA C 56.222 0.300 1 735 72 72 ASN CB C 38.363 0.300 1 736 72 72 ASN N N 116.515 0.300 1 737 72 72 ASN ND2 N 114.221 0.300 1 738 73 73 ARG H H 7.999 0.030 1 739 73 73 ARG HA H 3.416 0.030 1 740 73 73 ARG HB2 H -0.162 0.030 2 741 73 73 ARG HB3 H 0.776 0.030 2 742 73 73 ARG HD2 H 2.295 0.030 2 743 73 73 ARG HD3 H 1.622 0.030 2 744 73 73 ARG HE H 7.329 0.030 1 745 73 73 ARG HG2 H -0.345 0.030 2 746 73 73 ARG HG3 H 0.012 0.030 2 747 73 73 ARG C C 178.708 0.300 1 748 73 73 ARG CA C 57.403 0.300 1 749 73 73 ARG CB C 28.264 0.300 1 750 73 73 ARG CD C 41.326 0.300 1 751 73 73 ARG CG C 25.179 0.300 1 752 73 73 ARG N N 123.203 0.300 1 753 73 73 ARG NE N 85.200 0.300 1 754 74 74 ARG H H 8.033 0.030 1 755 74 74 ARG HA H 4.017 0.030 1 756 74 74 ARG HB2 H 1.746 0.030 2 757 74 74 ARG HB3 H 2.047 0.030 2 758 74 74 ARG HD2 H 2.648 0.030 2 759 74 74 ARG HD3 H 2.795 0.030 2 760 74 74 ARG HG2 H 2.298 0.030 2 761 74 74 ARG HG3 H 1.532 0.030 2 762 74 74 ARG C C 178.850 0.300 1 763 74 74 ARG CA C 60.414 0.300 1 764 74 74 ARG CB C 31.221 0.300 1 765 74 74 ARG CD C 43.660 0.300 1 766 74 74 ARG CG C 28.640 0.300 1 767 74 74 ARG N N 116.187 0.300 1 768 75 75 LYS H H 7.359 0.030 1 769 75 75 LYS HA H 4.054 0.030 1 770 75 75 LYS HB2 H 1.910 0.030 2 771 75 75 LYS HD2 H 1.690 0.030 2 772 75 75 LYS HD3 H 1.690 0.030 2 773 75 75 LYS HE2 H 2.984 0.030 2 774 75 75 LYS HG2 H 1.415 0.030 2 775 75 75 LYS HG3 H 1.621 0.030 2 776 75 75 LYS C C 178.301 0.300 1 777 75 75 LYS CA C 58.908 0.300 1 778 75 75 LYS CB C 32.463 0.300 1 779 75 75 LYS CD C 29.540 0.300 1 780 75 75 LYS CE C 42.170 0.300 1 781 75 75 LYS CG C 25.182 0.300 1 782 75 75 LYS N N 118.329 0.300 1 783 76 76 GLU H H 7.769 0.030 1 784 76 76 GLU HA H 4.051 0.030 1 785 76 76 GLU HB2 H 1.953 0.030 2 786 76 76 GLU HB3 H 1.915 0.030 2 787 76 76 GLU HG2 H 2.106 0.030 2 788 76 76 GLU HG3 H 2.232 0.030 2 789 76 76 GLU C C 178.261 0.300 1 790 76 76 GLU CA C 58.200 0.300 1 791 76 76 GLU CB C 29.841 0.300 1 792 76 76 GLU CG C 35.926 0.300 1 793 76 76 GLU N N 119.947 0.300 1 794 77 77 ILE H H 7.826 0.030 1 795 77 77 ILE HA H 3.856 0.030 1 796 77 77 ILE HB H 1.941 0.030 1 797 77 77 ILE HD1 H 0.919 0.030 1 798 77 77 ILE HG12 H 1.274 0.030 2 799 77 77 ILE HG13 H 1.570 0.030 2 800 77 77 ILE HG2 H 0.949 0.030 1 801 77 77 ILE C C 177.794 0.300 1 802 77 77 ILE CA C 63.454 0.300 1 803 77 77 ILE CB C 38.016 0.300 1 804 77 77 ILE CD1 C 13.447 0.300 1 805 77 77 ILE CG1 C 28.289 0.300 1 806 77 77 ILE CG2 C 17.454 0.300 1 807 77 77 ILE N N 119.278 0.300 1 808 78 78 LYS H H 7.802 0.030 1 809 78 78 LYS HA H 4.196 0.030 1 810 78 78 LYS HB2 H 1.892 0.030 2 811 78 78 LYS HB3 H 1.860 0.030 2 812 78 78 LYS HD2 H 1.702 0.030 2 813 78 78 LYS HE2 H 2.990 0.030 2 814 78 78 LYS HG2 H 1.535 0.030 2 815 78 78 LYS HG3 H 1.449 0.030 2 816 78 78 LYS C C 177.591 0.300 1 817 78 78 LYS CA C 57.728 0.300 1 818 78 78 LYS CB C 32.601 0.300 1 819 78 78 LYS CD C 29.043 0.300 1 820 78 78 LYS CE C 42.241 0.300 1 821 78 78 LYS CG C 24.928 0.300 1 822 78 78 LYS N N 122.041 0.300 1 823 79 79 ARG H H 8.053 0.030 1 824 79 79 ARG HA H 4.196 0.030 1 825 79 79 ARG HB2 H 1.887 0.030 2 826 79 79 ARG HB3 H 1.821 0.030 2 827 79 79 ARG HD2 H 3.181 0.030 2 828 79 79 ARG HG2 H 1.634 0.030 2 829 79 79 ARG C C 177.448 0.300 1 830 79 79 ARG CA C 57.639 0.300 1 831 79 79 ARG CB C 30.531 0.300 1 832 79 79 ARG CD C 43.447 0.300 1 833 79 79 ARG CG C 27.269 0.300 1 834 79 79 ARG N N 120.496 0.300 1 835 80 80 ARG H H 8.083 0.030 1 836 80 80 ARG HA H 4.193 0.030 1 837 80 80 ARG HB2 H 1.886 0.030 2 838 80 80 ARG HB3 H 1.827 0.030 2 839 80 80 ARG HD2 H 3.169 0.030 2 840 80 80 ARG HG2 H 1.698 0.030 2 841 80 80 ARG HG3 H 1.608 0.030 2 842 80 80 ARG C C 176.786 0.300 1 843 80 80 ARG CA C 57.196 0.300 1 844 80 80 ARG CB C 30.531 0.300 1 845 80 80 ARG CD C 43.518 0.300 1 846 80 80 ARG CG C 27.269 0.300 1 847 80 80 ARG N N 120.092 0.300 1 848 81 81 ALA H H 8.062 0.030 1 849 81 81 ALA HA H 4.256 0.030 1 850 81 81 ALA HB H 1.428 0.030 1 851 81 81 ALA C C 178.013 0.300 1 852 81 81 ALA CA C 53.141 0.300 1 853 81 81 ALA CB C 19.003 0.300 1 854 81 81 ALA N N 123.434 0.300 1 855 82 82 ASN H H 8.219 0.030 1 856 82 82 ASN HA H 4.661 0.030 1 857 82 82 ASN HB2 H 2.868 0.030 2 858 82 82 ASN HB3 H 2.792 0.030 2 859 82 82 ASN HD21 H 7.607 0.030 2 860 82 82 ASN HD22 H 6.910 0.030 2 861 82 82 ASN C C 175.620 0.300 1 862 82 82 ASN CA C 53.686 0.300 1 863 82 82 ASN CB C 38.672 0.300 1 864 82 82 ASN N N 117.551 0.300 1 865 82 82 ASN ND2 N 112.599 0.300 1 866 83 83 ILE H H 7.949 0.030 1 867 83 83 ILE HA H 4.077 0.030 1 868 83 83 ILE HB H 1.890 0.030 1 869 83 83 ILE HD1 H 0.854 0.030 1 870 83 83 ILE HG12 H 1.192 0.030 2 871 83 83 ILE HG13 H 1.505 0.030 2 872 83 83 ILE HG2 H 0.906 0.030 1 873 83 83 ILE C C 176.291 0.300 1 874 83 83 ILE CA C 61.695 0.300 1 875 83 83 ILE CB C 38.672 0.300 1 876 83 83 ILE CD1 C 12.999 0.300 1 877 83 83 ILE CG1 C 27.532 0.300 1 878 83 83 ILE CG2 C 17.541 0.300 1 879 83 83 ILE N N 120.666 0.300 1 880 84 84 ALA H H 8.184 0.030 1 881 84 84 ALA HA H 4.262 0.030 1 882 84 84 ALA HB H 1.398 0.030 1 883 84 84 ALA C C 177.794 0.300 1 884 84 84 ALA CA C 53.005 0.300 1 885 84 84 ALA CB C 18.941 0.300 1 886 84 84 ALA N N 126.306 0.300 1 887 85 85 ALA H H 8.019 0.030 1 888 85 85 ALA HA H 4.263 0.030 1 889 85 85 ALA HB H 1.376 0.030 1 890 85 85 ALA C C 178.143 0.300 1 891 85 85 ALA CA C 52.857 0.300 1 892 85 85 ALA CB C 19.170 0.300 1 893 85 85 ALA N N 122.320 0.300 1 894 86 86 ILE H H 7.959 0.030 1 895 86 86 ILE HA H 4.077 0.030 1 896 86 86 ILE HB H 1.890 0.030 1 897 86 86 ILE HD1 H 0.855 0.030 1 898 86 86 ILE HG12 H 1.189 0.030 2 899 86 86 ILE HG13 H 1.504 0.030 2 900 86 86 ILE HG2 H 0.907 0.030 1 901 86 86 ILE C C 176.697 0.300 1 902 86 86 ILE CA C 61.654 0.300 1 903 86 86 ILE CB C 38.603 0.300 1 904 86 86 ILE CD1 C 12.936 0.300 1 905 86 86 ILE CG1 C 27.553 0.300 1 906 86 86 ILE CG2 C 17.478 0.300 1 907 86 86 ILE N N 119.762 0.300 1 908 87 87 LEU H H 8.219 0.030 1 909 87 87 LEU HA H 4.340 0.030 1 910 87 87 LEU HB2 H 1.669 0.030 2 911 87 87 LEU HB3 H 1.584 0.030 2 912 87 87 LEU HD1 H 0.899 0.030 1 913 87 87 LEU HD2 H 0.859 0.030 1 914 87 87 LEU HG H 1.624 0.030 1 915 87 87 LEU C C 177.616 0.300 1 916 87 87 LEU CA C 55.425 0.300 1 917 87 87 LEU CB C 42.328 0.300 1 918 87 87 LEU CD1 C 24.935 0.300 2 919 87 87 LEU CD2 C 23.502 0.300 2 920 87 87 LEU CG C 27.057 0.300 1 921 87 87 LEU N N 125.404 0.300 1 922 88 88 GLU H H 8.321 0.030 1 923 88 88 GLU HA H 4.287 0.030 1 924 88 88 GLU HB2 H 2.070 0.030 2 925 88 88 GLU HB3 H 1.968 0.030 2 926 88 88 GLU HG2 H 2.284 0.030 2 927 88 88 GLU HG3 H 2.121 0.030 2 928 88 88 GLU C C 176.636 0.300 1 929 88 88 GLU CA C 56.872 0.300 1 930 88 88 GLU CB C 30.186 0.300 1 931 88 88 GLU CG C 36.281 0.300 1 932 88 88 GLU N N 121.673 0.300 1 933 89 89 SER H H 8.254 0.030 1 934 89 89 SER HA H 4.483 0.030 1 935 89 89 SER HB2 H 3.919 0.030 2 936 89 89 SER HB3 H 3.864 0.030 2 937 89 89 SER C C 174.693 0.300 1 938 89 89 SER CA C 58.395 0.300 1 939 89 89 SER CB C 64.017 0.300 1 940 89 89 SER N N 116.276 0.300 1 941 90 90 SER H H 8.346 0.030 1 942 90 90 SER HA H 4.478 0.030 1 943 90 90 SER HB2 H 3.919 0.030 2 944 90 90 SER C C 174.564 0.300 1 945 90 90 SER CA C 58.525 0.300 1 946 90 90 SER CB C 64.129 0.300 1 947 90 90 SER N N 117.689 0.300 1 948 91 91 GLY H H 8.213 0.030 1 949 91 91 GLY HA2 H 4.112 0.030 2 950 91 91 GLY HA3 H 4.112 0.030 2 951 91 91 GLY C C 171.803 0.300 1 952 91 91 GLY CA C 44.743 0.300 1 953 91 91 GLY N N 110.570 0.300 1 954 92 92 PRO HA H 4.530 0.030 1 955 93 93 SER HA H 4.498 0.030 1 956 93 93 SER HB2 H 3.881 0.030 2 957 93 93 SER C C 173.981 0.300 1 958 93 93 SER CA C 57.378 0.300 1 959 93 93 SER CB C 58.505 0.300 1 960 94 94 SER H H 8.032 0.030 1 961 94 94 SER HA H 4.498 0.030 1 962 94 94 SER HB2 H 3.873 0.030 2 963 94 94 SER C C 173.955 0.300 1 964 94 94 SER CA C 58.436 0.300 1 965 94 94 SER CB C 64.017 0.300 1 966 94 94 SER N N 116.327 0.300 1 967 95 95 GLY H H 8.046 0.030 1 968 95 95 GLY C C 179.013 0.300 1 969 95 95 GLY CA C 46.250 0.300 1 970 95 95 GLY N N 116.859 0.300 1 stop_ save_