data_10293 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain of LIM/homeobox protein Lhx9 ; _BMRB_accession_number 10293 _BMRB_flat_file_name bmr10293.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohnishi S. . . 2 Tochio N. . . 3 Koshiba S. . . 4 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" 417 "13C chemical shifts" 309 "15N chemical shifts" 73 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 LIM/homeobox protein Lhx9' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohnishi S. . . 2 Tochio N. . . 3 Koshiba S. . . 4 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 'LIM/homeobox protein Lhx9' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'homeobox domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSSGSSGKRMRTSFKHHQLR TMKSYFAINHNPDAKDLKQL AQKTGLTKRVLQVWFQNARA KFRRNLLRQENGGVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ARG 10 MET 11 ARG 12 THR 13 SER 14 PHE 15 LYS 16 HIS 17 HIS 18 GLN 19 LEU 20 ARG 21 THR 22 MET 23 LYS 24 SER 25 TYR 26 PHE 27 ALA 28 ILE 29 ASN 30 HIS 31 ASN 32 PRO 33 ASP 34 ALA 35 LYS 36 ASP 37 LEU 38 LYS 39 GLN 40 LEU 41 ALA 42 GLN 43 LYS 44 THR 45 GLY 46 LEU 47 THR 48 LYS 49 ARG 50 VAL 51 LEU 52 GLN 53 VAL 54 TRP 55 PHE 56 GLN 57 ASN 58 ALA 59 ARG 60 ALA 61 LYS 62 PHE 63 ARG 64 ARG 65 ASN 66 LEU 67 LEU 68 ARG 69 GLN 70 GLU 71 ASN 72 GLY 73 GLY 74 VAL 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2DMQ "Solution Structure Of The Homeobox Domain Of LimHOMEOBOX Protein Lhx9" 100.00 80 100.00 100.00 3.53e-50 DBJ BAA21846 "LIM homeodomain [Gallus gallus]" 83.75 400 98.51 98.51 4.43e-38 DBJ BAC04371 "unnamed protein product [Homo sapiens]" 83.75 397 98.51 98.51 3.99e-38 DBJ BAC35432 "unnamed protein product [Mus musculus]" 83.75 406 98.51 98.51 4.77e-38 DBJ BAE45355 "LIM homeodomain type transcription factor Lhx9 [Danio rerio]" 83.75 395 98.51 100.00 1.24e-38 DBJ BAF46217 "LIM homeobox gene 9 beta protein [Rugosa rugosa]" 56.25 347 97.78 97.78 1.80e-20 EMBL CAB59907 "putative LIM-homeodomain alpha isoform [Mus musculus]" 56.25 321 100.00 100.00 1.20e-21 EMBL CAB59908 "putative LIM homeodomain protein [Mus musculus]" 83.75 366 100.00 100.00 3.35e-39 EMBL CAB59909 "putative LIM homeodomain protein [Mus musculus]" 56.25 299 100.00 100.00 9.64e-22 EMBL CAB97493 "LIM-homeobox 9 [Homo sapiens]" 83.75 388 100.00 100.00 6.11e-39 EMBL CAB98128 "LIM-homeobox 9 [Homo sapiens]" 83.75 257 100.00 100.00 3.42e-40 GB AAA50258 "homeobox protein [Gallus gallus]" 83.75 378 98.51 98.51 4.65e-38 GB AAB08752 "LIM-homeobox domain protein [Homo sapiens]" 83.75 423 98.51 98.51 7.58e-38 GB AAD20012 "LIM-homeodomain protein MLHX2 [Mus musculus]" 83.75 406 98.51 98.51 4.77e-38 GB AAD20013 "LIM-homeodomain protein HLHX2 [Homo sapiens]" 83.75 389 98.51 98.51 4.07e-38 GB AAD22008 "LIM homeobox protein 9 [Mus musculus]" 83.75 378 100.00 100.00 6.42e-39 REF NP_001014434 "LIM/homeobox protein Lhx9 isoform 2 [Homo sapiens]" 83.75 388 100.00 100.00 6.11e-39 REF NP_001017710 "LIM/homeobox protein Lhx9 isoform 1 [Danio rerio]" 56.25 330 100.00 100.00 1.07e-21 REF NP_001019715 "LIM/homeobox protein Lhx9 [Bos taurus]" 83.75 378 100.00 100.00 4.70e-39 REF NP_001020736 "LIM/homeobox protein Lhx9 isoform a [Mus musculus]" 56.25 330 100.00 100.00 1.16e-21 REF NP_001032320 "LIM/homeobox protein Lhx9 isoform 2 [Danio rerio]" 83.75 396 98.51 100.00 1.13e-38 SP A0JNI8 "RecName: Full=LIM/homeobox protein Lhx9; Short=LIM homeobox protein 9" 83.75 397 100.00 100.00 4.53e-39 SP A2I8Z7 "RecName: Full=LIM/homeobox protein Lhx9; Short=LIM homeobox protein 9" 83.75 377 97.01 98.51 7.09e-38 SP P50458 "RecName: Full=LIM/homeobox protein Lhx2; Short=Homeobox protein LH-2; Short=LIM homeobox protein 2" 83.75 406 98.51 98.51 5.18e-38 SP Q1LWV4 "RecName: Full=LIM/homeobox protein Lhx9; Short=LIM homeobox protein 9" 83.75 396 98.51 100.00 1.13e-38 SP Q68EY3 "RecName: Full=LIM/homeobox protein Lhx9; Short=LIM homeobox protein 9" 56.25 331 100.00 100.00 9.41e-22 TPG DAA20966 "TPA: LIM/homeobox protein Lhx9 [Bos taurus]" 83.75 378 100.00 100.00 4.70e-39 TPG DAA24308 "TPA: LIM homeobox protein 2-like [Bos taurus]" 83.75 406 98.51 98.51 4.97e-38 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 P050613-31 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 1.2 mM '[U-13C; U-15N]' d-Tris-HCl 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 0.965 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 7 7 GLY HA2 H 3.959 0.030 1 2 7 7 GLY HA3 H 3.959 0.030 1 3 7 7 GLY C C 174.210 0.300 1 4 7 7 GLY CA C 45.270 0.300 1 5 8 8 LYS H H 7.993 0.030 1 6 8 8 LYS C C 176.347 0.300 1 7 8 8 LYS CA C 62.168 0.300 1 8 8 8 LYS CB C 32.974 0.300 1 9 8 8 LYS N N 118.865 0.300 1 10 12 12 THR HA H 4.227 0.030 1 11 12 12 THR HB H 3.964 0.030 1 12 12 12 THR HG2 H 0.982 0.030 1 13 12 12 THR CA C 61.902 0.300 1 14 12 12 THR CB C 69.926 0.300 1 15 12 12 THR CG2 C 21.631 0.300 1 16 13 13 SER HA H 4.401 0.030 1 17 13 13 SER HB2 H 3.669 0.030 1 18 13 13 SER HB3 H 3.669 0.030 1 19 13 13 SER C C 173.627 0.300 1 20 13 13 SER CA C 57.513 0.300 1 21 13 13 SER CB C 63.880 0.300 1 22 14 14 PHE H H 8.197 0.030 1 23 14 14 PHE HA H 4.701 0.030 1 24 14 14 PHE HB2 H 2.620 0.030 2 25 14 14 PHE HB3 H 3.029 0.030 2 26 14 14 PHE HD1 H 7.128 0.030 1 27 14 14 PHE HD2 H 7.128 0.030 1 28 14 14 PHE HE1 H 7.253 0.030 1 29 14 14 PHE HE2 H 7.253 0.030 1 30 14 14 PHE HZ H 7.394 0.030 1 31 14 14 PHE C C 176.177 0.300 1 32 14 14 PHE CA C 57.539 0.300 1 33 14 14 PHE CB C 41.041 0.300 1 34 14 14 PHE CD1 C 131.567 0.300 1 35 14 14 PHE CD2 C 131.567 0.300 1 36 14 14 PHE CE1 C 131.581 0.300 1 37 14 14 PHE CE2 C 131.581 0.300 1 38 14 14 PHE CZ C 129.649 0.300 1 39 14 14 PHE N N 121.084 0.300 1 40 15 15 LYS H H 8.548 0.030 1 41 15 15 LYS HA H 4.449 0.030 1 42 15 15 LYS HB2 H 1.178 0.030 2 43 15 15 LYS HB3 H 2.109 0.030 2 44 15 15 LYS HD2 H 1.684 0.030 2 45 15 15 LYS HD3 H 1.811 0.030 2 46 15 15 LYS HE2 H 3.061 0.030 2 47 15 15 LYS HG2 H 1.571 0.030 2 48 15 15 LYS HG3 H 1.530 0.030 2 49 15 15 LYS C C 178.532 0.300 1 50 15 15 LYS CA C 55.291 0.300 1 51 15 15 LYS CB C 33.993 0.300 1 52 15 15 LYS CD C 29.165 0.300 1 53 15 15 LYS CE C 42.414 0.300 1 54 15 15 LYS CG C 25.488 0.300 1 55 15 15 LYS N N 120.600 0.300 1 56 16 16 HIS HA H 4.238 0.030 1 57 16 16 HIS HB2 H 3.197 0.030 2 58 16 16 HIS HB3 H 3.255 0.030 2 59 16 16 HIS HD2 H 7.023 0.030 1 60 16 16 HIS CA C 60.805 0.300 1 61 16 16 HIS CB C 30.416 0.300 1 62 16 16 HIS CD2 C 119.478 0.300 1 63 17 17 HIS HA H 4.218 0.030 1 64 17 17 HIS HB2 H 3.108 0.030 2 65 17 17 HIS HB3 H 3.223 0.030 2 66 17 17 HIS HD2 H 7.177 0.030 1 67 17 17 HIS C C 177.731 0.300 1 68 17 17 HIS CA C 58.994 0.300 1 69 17 17 HIS CB C 29.627 0.300 1 70 17 17 HIS CD2 C 119.584 0.300 1 71 18 18 GLN H H 6.563 0.030 1 72 18 18 GLN HA H 3.747 0.030 1 73 18 18 GLN HB2 H 1.601 0.030 2 74 18 18 GLN HB3 H 2.458 0.030 2 75 18 18 GLN HE21 H 7.085 0.030 2 76 18 18 GLN HE22 H 7.914 0.030 2 77 18 18 GLN HG2 H 2.392 0.030 1 78 18 18 GLN HG3 H 2.392 0.030 1 79 18 18 GLN C C 177.051 0.300 1 80 18 18 GLN CA C 58.148 0.300 1 81 18 18 GLN CB C 27.752 0.300 1 82 18 18 GLN CG C 33.806 0.300 1 83 18 18 GLN N N 119.371 0.300 1 84 18 18 GLN NE2 N 112.585 0.300 1 85 19 19 LEU H H 7.532 0.030 1 86 19 19 LEU HA H 3.570 0.030 1 87 19 19 LEU HB2 H 1.538 0.030 2 88 19 19 LEU HB3 H 1.439 0.030 2 89 19 19 LEU HD1 H 0.842 0.030 1 90 19 19 LEU HD2 H 0.719 0.030 1 91 19 19 LEU HG H 1.374 0.030 1 92 19 19 LEU C C 178.362 0.300 1 93 19 19 LEU CA C 57.464 0.300 1 94 19 19 LEU CB C 42.092 0.300 1 95 19 19 LEU CD1 C 24.870 0.300 2 96 19 19 LEU CD2 C 23.894 0.300 2 97 19 19 LEU CG C 26.985 0.300 1 98 19 19 LEU N N 118.862 0.300 1 99 20 20 ARG H H 8.168 0.030 1 100 20 20 ARG HA H 3.899 0.030 1 101 20 20 ARG HB2 H 1.724 0.030 2 102 20 20 ARG HB3 H 1.809 0.030 2 103 20 20 ARG HD2 H 3.170 0.030 1 104 20 20 ARG HD3 H 3.170 0.030 1 105 20 20 ARG HG2 H 1.644 0.030 2 106 20 20 ARG HG3 H 1.509 0.030 2 107 20 20 ARG C C 179.358 0.300 1 108 20 20 ARG CA C 59.641 0.300 1 109 20 20 ARG CB C 29.869 0.300 1 110 20 20 ARG CD C 43.405 0.300 1 111 20 20 ARG CG C 27.042 0.300 1 112 20 20 ARG N N 118.228 0.300 1 113 21 21 THR H H 7.592 0.030 1 114 21 21 THR HA H 3.854 0.030 1 115 21 21 THR HB H 4.076 0.030 1 116 21 21 THR HG2 H 1.055 0.030 1 117 21 21 THR C C 176.662 0.300 1 118 21 21 THR CA C 66.646 0.300 1 119 21 21 THR CB C 68.271 0.300 1 120 21 21 THR CG2 C 22.624 0.300 1 121 21 21 THR N N 117.730 0.300 1 122 22 22 MET H H 7.910 0.030 1 123 22 22 MET HA H 3.537 0.030 1 124 22 22 MET HB2 H 0.905 0.030 2 125 22 22 MET HB3 H 0.398 0.030 2 126 22 22 MET HE H 0.061 0.030 1 127 22 22 MET HG2 H 1.396 0.030 2 128 22 22 MET HG3 H 2.116 0.030 2 129 22 22 MET C C 177.099 0.300 1 130 22 22 MET CA C 61.053 0.300 1 131 22 22 MET CB C 31.655 0.300 1 132 22 22 MET CE C 14.216 0.300 1 133 22 22 MET CG C 31.233 0.300 1 134 22 22 MET N N 121.373 0.300 1 135 23 23 LYS H H 8.663 0.030 1 136 23 23 LYS HA H 4.037 0.030 1 137 23 23 LYS HB2 H 1.875 0.030 2 138 23 23 LYS HB3 H 1.913 0.030 2 139 23 23 LYS HD2 H 1.685 0.030 1 140 23 23 LYS HD3 H 1.685 0.030 1 141 23 23 LYS HE2 H 2.943 0.030 1 142 23 23 LYS HE3 H 2.943 0.030 1 143 23 23 LYS HG2 H 1.543 0.030 2 144 23 23 LYS HG3 H 1.707 0.030 2 145 23 23 LYS C C 180.183 0.300 1 146 23 23 LYS CA C 60.743 0.300 1 147 23 23 LYS CB C 32.386 0.300 1 148 23 23 LYS CD C 29.673 0.300 1 149 23 23 LYS CE C 42.104 0.300 1 150 23 23 LYS CG C 26.958 0.300 1 151 23 23 LYS N N 117.749 0.300 1 152 24 24 SER H H 8.182 0.030 1 153 24 24 SER HA H 4.291 0.030 1 154 24 24 SER HB2 H 3.970 0.030 2 155 24 24 SER HB3 H 4.046 0.030 2 156 24 24 SER C C 176.298 0.300 1 157 24 24 SER CA C 61.850 0.300 1 158 24 24 SER CB C 62.661 0.300 1 159 24 24 SER N N 115.784 0.300 1 160 25 25 TYR H H 7.860 0.030 1 161 25 25 TYR HA H 4.168 0.030 1 162 25 25 TYR HB2 H 3.203 0.030 2 163 25 25 TYR HB3 H 3.323 0.030 2 164 25 25 TYR HD1 H 7.253 0.030 1 165 25 25 TYR HD2 H 7.253 0.030 1 166 25 25 TYR HE1 H 6.630 0.030 1 167 25 25 TYR HE2 H 6.630 0.030 1 168 25 25 TYR C C 177.731 0.300 1 169 25 25 TYR CA C 62.168 0.300 1 170 25 25 TYR CB C 38.810 0.300 1 171 25 25 TYR CD1 C 133.789 0.300 1 172 25 25 TYR CD2 C 133.789 0.300 1 173 25 25 TYR CE1 C 117.904 0.300 1 174 25 25 TYR CE2 C 117.904 0.300 1 175 25 25 TYR N N 122.606 0.300 1 176 26 26 PHE H H 9.057 0.030 1 177 26 26 PHE HA H 4.587 0.030 1 178 26 26 PHE HB2 H 3.207 0.030 2 179 26 26 PHE HB3 H 3.434 0.030 2 180 26 26 PHE HD1 H 7.313 0.030 1 181 26 26 PHE HD2 H 7.313 0.030 1 182 26 26 PHE HE1 H 6.954 0.030 1 183 26 26 PHE HE2 H 6.954 0.030 1 184 26 26 PHE HZ H 6.129 0.030 1 185 26 26 PHE C C 174.987 0.300 1 186 26 26 PHE CA C 61.043 0.300 1 187 26 26 PHE CB C 39.600 0.300 1 188 26 26 PHE CD1 C 131.717 0.300 1 189 26 26 PHE CD2 C 131.717 0.300 1 190 26 26 PHE CE1 C 130.921 0.300 1 191 26 26 PHE CE2 C 130.921 0.300 1 192 26 26 PHE CZ C 127.851 0.300 1 193 26 26 PHE N N 121.419 0.300 1 194 27 27 ALA H H 7.459 0.030 1 195 27 27 ALA HA H 4.051 0.030 1 196 27 27 ALA HB H 1.519 0.030 1 197 27 27 ALA C C 178.775 0.300 1 198 27 27 ALA CA C 54.233 0.300 1 199 27 27 ALA CB C 18.405 0.300 1 200 27 27 ALA N N 114.718 0.300 1 201 28 28 ILE H H 7.405 0.030 1 202 28 28 ILE HA H 3.985 0.030 1 203 28 28 ILE HB H 1.770 0.030 1 204 28 28 ILE HD1 H 0.690 0.030 1 205 28 28 ILE HG12 H 1.074 0.030 2 206 28 28 ILE HG13 H 1.357 0.030 2 207 28 28 ILE HG2 H 0.732 0.030 1 208 28 28 ILE C C 176.055 0.300 1 209 28 28 ILE CA C 61.603 0.300 1 210 28 28 ILE CB C 39.090 0.300 1 211 28 28 ILE CD1 C 12.887 0.300 1 212 28 28 ILE CG1 C 27.457 0.300 1 213 28 28 ILE CG2 C 17.773 0.300 1 214 28 28 ILE N N 115.025 0.300 1 215 29 29 ASN H H 8.087 0.030 1 216 29 29 ASN HA H 4.511 0.030 1 217 29 29 ASN HB2 H 2.472 0.030 2 218 29 29 ASN HB3 H 2.544 0.030 2 219 29 29 ASN HD21 H 6.343 0.030 2 220 29 29 ASN HD22 H 7.422 0.030 2 221 29 29 ASN C C 172.947 0.300 1 222 29 29 ASN CA C 52.594 0.300 1 223 29 29 ASN CB C 39.402 0.300 1 224 29 29 ASN N N 119.219 0.300 1 225 29 29 ASN ND2 N 112.413 0.300 1 226 30 30 HIS H H 8.408 0.030 1 227 30 30 HIS HA H 4.499 0.030 1 228 30 30 HIS HB2 H 2.830 0.030 1 229 30 30 HIS HB3 H 2.830 0.030 1 230 30 30 HIS HD2 H 6.365 0.030 1 231 30 30 HIS C C 175.472 0.300 1 232 30 30 HIS CA C 55.538 0.300 1 233 30 30 HIS CB C 31.578 0.300 1 234 30 30 HIS CD2 C 118.442 0.300 1 235 30 30 HIS N N 120.962 0.300 1 236 31 31 ASN H H 7.931 0.030 1 237 31 31 ASN HA H 5.099 0.030 1 238 31 31 ASN HB2 H 2.629 0.030 2 239 31 31 ASN HB3 H 2.497 0.030 2 240 31 31 ASN HD21 H 6.969 0.030 2 241 31 31 ASN HD22 H 7.771 0.030 2 242 31 31 ASN C C 170.762 0.300 1 243 31 31 ASN CA C 51.130 0.300 1 244 31 31 ASN CB C 40.625 0.300 1 245 31 31 ASN N N 114.800 0.300 1 246 31 31 ASN ND2 N 114.803 0.300 1 247 32 32 PRO HA H 4.565 0.030 1 248 32 32 PRO HB2 H 1.478 0.030 2 249 32 32 PRO HB3 H 1.824 0.030 2 250 32 32 PRO HD2 H 3.036 0.030 2 251 32 32 PRO HD3 H 3.377 0.030 2 252 32 32 PRO HG2 H 0.246 0.030 2 253 32 32 PRO HG3 H 1.215 0.030 2 254 32 32 PRO C C 176.832 0.300 1 255 32 32 PRO CA C 63.120 0.300 1 256 32 32 PRO CB C 31.715 0.300 1 257 32 32 PRO CD C 51.013 0.300 1 258 32 32 PRO CG C 26.232 0.300 1 259 33 33 ASP H H 8.758 0.030 1 260 33 33 ASP HA H 4.526 0.030 1 261 33 33 ASP HB2 H 2.756 0.030 2 262 33 33 ASP HB3 H 3.142 0.030 2 263 33 33 ASP C C 175.667 0.300 1 264 33 33 ASP CA C 51.908 0.300 1 265 33 33 ASP CB C 41.113 0.300 1 266 33 33 ASP N N 123.573 0.300 1 267 34 34 ALA H H 8.274 0.030 1 268 34 34 ALA HA H 3.914 0.030 1 269 34 34 ALA HB H 1.417 0.030 1 270 34 34 ALA C C 180.742 0.300 1 271 34 34 ALA CA C 56.073 0.300 1 272 34 34 ALA CB C 18.510 0.300 1 273 34 34 ALA N N 119.222 0.300 1 274 35 35 LYS H H 7.931 0.030 1 275 35 35 LYS HA H 4.019 0.030 1 276 35 35 LYS HB2 H 1.925 0.030 1 277 35 35 LYS HB3 H 1.925 0.030 1 278 35 35 LYS HD2 H 1.684 0.030 1 279 35 35 LYS HD3 H 1.684 0.030 1 280 35 35 LYS HE2 H 2.996 0.030 1 281 35 35 LYS HE3 H 2.996 0.030 1 282 35 35 LYS HG2 H 1.388 0.030 2 283 35 35 LYS HG3 H 1.557 0.030 2 284 35 35 LYS C C 179.430 0.300 1 285 35 35 LYS CA C 59.485 0.300 1 286 35 35 LYS CB C 31.535 0.300 1 287 35 35 LYS CD C 29.244 0.300 1 288 35 35 LYS CE C 42.157 0.300 1 289 35 35 LYS CG C 24.853 0.300 1 290 35 35 LYS N N 119.343 0.300 1 291 36 36 ASP H H 8.611 0.030 1 292 36 36 ASP HA H 4.408 0.030 1 293 36 36 ASP HB2 H 2.750 0.030 2 294 36 36 ASP HB3 H 2.407 0.030 2 295 36 36 ASP C C 179.479 0.300 1 296 36 36 ASP CA C 57.090 0.300 1 297 36 36 ASP CB C 39.930 0.300 1 298 36 36 ASP N N 123.478 0.300 1 299 37 37 LEU H H 8.743 0.030 1 300 37 37 LEU HA H 3.805 0.030 1 301 37 37 LEU HB2 H 1.223 0.030 2 302 37 37 LEU HB3 H 1.824 0.030 2 303 37 37 LEU HD1 H 0.727 0.030 1 304 37 37 LEU HD2 H 0.613 0.030 1 305 37 37 LEU HG H 1.477 0.030 1 306 37 37 LEU C C 178.799 0.300 1 307 37 37 LEU CA C 58.148 0.300 1 308 37 37 LEU CB C 42.233 0.300 1 309 37 37 LEU CD1 C 25.894 0.300 2 310 37 37 LEU CD2 C 23.839 0.300 2 311 37 37 LEU CG C 27.150 0.300 1 312 37 37 LEU N N 120.010 0.300 1 313 38 38 LYS H H 7.756 0.030 1 314 38 38 LYS HA H 3.956 0.030 1 315 38 38 LYS HB2 H 1.936 0.030 2 316 38 38 LYS HB3 H 2.020 0.030 2 317 38 38 LYS HD2 H 1.686 0.030 2 318 38 38 LYS HE2 H 2.952 0.030 2 319 38 38 LYS HG2 H 1.370 0.030 2 320 38 38 LYS HG3 H 1.541 0.030 2 321 38 38 LYS C C 179.090 0.300 1 322 38 38 LYS CA C 59.950 0.300 1 323 38 38 LYS CB C 32.315 0.300 1 324 38 38 LYS CD C 29.472 0.300 1 325 38 38 LYS CE C 42.150 0.300 1 326 38 38 LYS CG C 25.145 0.300 1 327 38 38 LYS N N 120.326 0.300 1 328 39 39 GLN H H 7.634 0.030 1 329 39 39 GLN HA H 4.156 0.030 1 330 39 39 GLN HB2 H 2.231 0.030 2 331 39 39 GLN HB3 H 2.179 0.030 2 332 39 39 GLN HE21 H 7.454 0.030 2 333 39 39 GLN HE22 H 6.893 0.030 2 334 39 39 GLN HG2 H 2.371 0.030 2 335 39 39 GLN HG3 H 2.569 0.030 2 336 39 39 GLN C C 178.896 0.300 1 337 39 39 GLN CA C 58.888 0.300 1 338 39 39 GLN CB C 28.441 0.300 1 339 39 39 GLN CG C 34.069 0.300 1 340 39 39 GLN N N 119.272 0.300 1 341 39 39 GLN NE2 N 111.558 0.300 1 342 40 40 LEU H H 8.541 0.030 1 343 40 40 LEU HA H 3.848 0.030 1 344 40 40 LEU HB2 H 1.186 0.030 2 345 40 40 LEU HB3 H 1.722 0.030 2 346 40 40 LEU HD1 H 0.236 0.030 1 347 40 40 LEU HD2 H 0.601 0.030 1 348 40 40 LEU HG H 1.364 0.030 1 349 40 40 LEU C C 180.256 0.300 1 350 40 40 LEU CA C 57.866 0.300 1 351 40 40 LEU CB C 43.074 0.300 1 352 40 40 LEU CD1 C 24.870 0.300 2 353 40 40 LEU CD2 C 24.131 0.300 2 354 40 40 LEU CG C 26.960 0.300 1 355 40 40 LEU N N 120.555 0.300 1 356 41 41 ALA H H 8.633 0.030 1 357 41 41 ALA HA H 4.032 0.030 1 358 41 41 ALA HB H 1.464 0.030 1 359 41 41 ALA C C 179.722 0.300 1 360 41 41 ALA CA C 55.923 0.300 1 361 41 41 ALA CB C 17.836 0.300 1 362 41 41 ALA N N 127.288 0.300 1 363 42 42 GLN H H 7.698 0.030 1 364 42 42 GLN HA H 4.034 0.030 1 365 42 42 GLN HB2 H 2.229 0.030 1 366 42 42 GLN HB3 H 2.229 0.030 1 367 42 42 GLN HE21 H 6.836 0.030 2 368 42 42 GLN HE22 H 7.457 0.030 2 369 42 42 GLN HG2 H 2.534 0.030 2 370 42 42 GLN HG3 H 2.398 0.030 2 371 42 42 GLN C C 178.848 0.300 1 372 42 42 GLN CA C 58.853 0.300 1 373 42 42 GLN CB C 28.276 0.300 1 374 42 42 GLN CG C 33.953 0.300 1 375 42 42 GLN N N 118.543 0.300 1 376 42 42 GLN NE2 N 111.733 0.300 1 377 43 43 LYS H H 8.099 0.030 1 378 43 43 LYS HA H 4.172 0.030 1 379 43 43 LYS HB2 H 1.939 0.030 2 380 43 43 LYS HB3 H 1.873 0.030 2 381 43 43 LYS HD2 H 1.637 0.030 1 382 43 43 LYS HD3 H 1.637 0.030 1 383 43 43 LYS HE2 H 2.991 0.030 1 384 43 43 LYS HE3 H 2.991 0.030 1 385 43 43 LYS HG2 H 1.537 0.030 2 386 43 43 LYS HG3 H 1.663 0.030 2 387 43 43 LYS C C 178.581 0.300 1 388 43 43 LYS CA C 58.741 0.300 1 389 43 43 LYS CB C 34.128 0.300 1 390 43 43 LYS CD C 29.263 0.300 1 391 43 43 LYS CE C 42.122 0.300 1 392 43 43 LYS CG C 25.554 0.300 1 393 43 43 LYS N N 116.650 0.300 1 394 44 44 THR H H 8.053 0.030 1 395 44 44 THR HA H 4.517 0.030 1 396 44 44 THR HB H 3.980 0.030 1 397 44 44 THR HG2 H 1.288 0.030 1 398 44 44 THR C C 176.104 0.300 1 399 44 44 THR CA C 63.114 0.300 1 400 44 44 THR CB C 72.379 0.300 1 401 44 44 THR CG2 C 21.640 0.300 1 402 44 44 THR N N 105.200 0.300 1 403 45 45 GLY H H 8.327 0.030 1 404 45 45 GLY HA2 H 3.882 0.030 2 405 45 45 GLY HA3 H 4.257 0.030 2 406 45 45 GLY C C 174.283 0.300 1 407 45 45 GLY CA C 45.950 0.300 1 408 45 45 GLY N N 111.805 0.300 1 409 46 46 LEU H H 7.710 0.030 1 410 46 46 LEU HA H 4.692 0.030 1 411 46 46 LEU HB2 H 1.307 0.030 2 412 46 46 LEU HB3 H 1.690 0.030 2 413 46 46 LEU HD1 H 0.686 0.030 1 414 46 46 LEU HD2 H 0.986 0.030 1 415 46 46 LEU HG H 1.358 0.030 1 416 46 46 LEU C C 176.249 0.300 1 417 46 46 LEU CA C 53.293 0.300 1 418 46 46 LEU CB C 44.084 0.300 1 419 46 46 LEU CD1 C 26.607 0.300 2 420 46 46 LEU CD2 C 22.952 0.300 2 421 46 46 LEU CG C 27.230 0.300 1 422 46 46 LEU N N 121.162 0.300 1 423 47 47 THR H H 7.718 0.030 1 424 47 47 THR HA H 4.379 0.030 1 425 47 47 THR HB H 4.678 0.030 1 426 47 47 THR HG2 H 1.366 0.030 1 427 47 47 THR C C 175.594 0.300 1 428 47 47 THR CA C 60.475 0.300 1 429 47 47 THR CB C 71.045 0.300 1 430 47 47 THR CG2 C 22.376 0.300 1 431 47 47 THR N N 107.953 0.300 1 432 48 48 LYS H H 8.750 0.030 1 433 48 48 LYS HA H 3.788 0.030 1 434 48 48 LYS HB2 H 1.764 0.030 2 435 48 48 LYS HB3 H 1.879 0.030 2 436 48 48 LYS HD2 H 1.663 0.030 1 437 48 48 LYS HD3 H 1.663 0.030 1 438 48 48 LYS HE2 H 2.912 0.030 1 439 48 48 LYS HE3 H 2.912 0.030 1 440 48 48 LYS HG2 H 1.245 0.030 2 441 48 48 LYS HG3 H 1.469 0.030 2 442 48 48 LYS C C 178.119 0.300 1 443 48 48 LYS CA C 60.816 0.300 1 444 48 48 LYS CB C 32.050 0.300 1 445 48 48 LYS CD C 29.588 0.300 1 446 48 48 LYS CE C 41.726 0.300 1 447 48 48 LYS CG C 25.456 0.300 1 448 48 48 LYS N N 120.566 0.300 1 449 49 49 ARG H H 8.274 0.030 1 450 49 49 ARG HA H 4.214 0.030 1 451 49 49 ARG HB2 H 1.940 0.030 2 452 49 49 ARG HB3 H 1.808 0.030 2 453 49 49 ARG HD2 H 3.299 0.030 2 454 49 49 ARG HD3 H 3.181 0.030 2 455 49 49 ARG HG2 H 1.698 0.030 2 456 49 49 ARG C C 178.216 0.300 1 457 49 49 ARG CA C 59.170 0.300 1 458 49 49 ARG CB C 30.181 0.300 1 459 49 49 ARG CD C 43.127 0.300 1 460 49 49 ARG CG C 26.973 0.300 1 461 49 49 ARG N N 116.915 0.300 1 462 50 50 VAL H H 7.310 0.030 1 463 50 50 VAL HA H 3.730 0.030 1 464 50 50 VAL HB H 2.241 0.030 1 465 50 50 VAL HG1 H 1.198 0.030 1 466 50 50 VAL HG2 H 1.109 0.030 1 467 50 50 VAL C C 179.406 0.300 1 468 50 50 VAL CA C 66.576 0.300 1 469 50 50 VAL CB C 31.655 0.300 1 470 50 50 VAL CG1 C 22.205 0.300 2 471 50 50 VAL CG2 C 23.930 0.300 2 472 50 50 VAL N N 119.540 0.300 1 473 51 51 LEU H H 8.115 0.030 1 474 51 51 LEU HA H 4.133 0.030 1 475 51 51 LEU HB2 H 1.292 0.030 2 476 51 51 LEU HB3 H 2.158 0.030 2 477 51 51 LEU HD1 H 0.662 0.030 1 478 51 51 LEU HD2 H 0.830 0.030 1 479 51 51 LEU HG H 1.646 0.030 1 480 51 51 LEU C C 178.726 0.300 1 481 51 51 LEU CA C 58.465 0.300 1 482 51 51 LEU CB C 43.173 0.300 1 483 51 51 LEU CD1 C 26.454 0.300 2 484 51 51 LEU CD2 C 24.973 0.300 2 485 51 51 LEU CG C 26.933 0.300 1 486 51 51 LEU N N 120.715 0.300 1 487 52 52 GLN H H 8.981 0.030 1 488 52 52 GLN HA H 4.131 0.030 1 489 52 52 GLN HB2 H 2.169 0.030 2 490 52 52 GLN HB3 H 2.385 0.030 2 491 52 52 GLN HE21 H 7.377 0.030 2 492 52 52 GLN HE22 H 6.853 0.030 2 493 52 52 GLN HG2 H 2.333 0.030 2 494 52 52 GLN HG3 H 2.573 0.030 2 495 52 52 GLN C C 179.600 0.300 1 496 52 52 GLN CA C 60.226 0.300 1 497 52 52 GLN CB C 29.018 0.300 1 498 52 52 GLN CG C 34.917 0.300 1 499 52 52 GLN N N 118.651 0.300 1 500 52 52 GLN NE2 N 111.895 0.300 1 501 53 53 VAL H H 8.057 0.030 1 502 53 53 VAL HA H 3.723 0.030 1 503 53 53 VAL HB H 2.274 0.030 1 504 53 53 VAL HG1 H 1.013 0.030 1 505 53 53 VAL HG2 H 1.128 0.030 1 506 53 53 VAL C C 177.755 0.300 1 507 53 53 VAL CA C 66.646 0.300 1 508 53 53 VAL CB C 32.196 0.300 1 509 53 53 VAL CG1 C 21.543 0.300 2 510 53 53 VAL CG2 C 23.092 0.300 2 511 53 53 VAL N N 120.778 0.300 1 512 54 54 TRP H H 8.377 0.030 1 513 54 54 TRP HA H 4.036 0.030 1 514 54 54 TRP HB2 H 3.112 0.030 2 515 54 54 TRP HB3 H 3.397 0.030 2 516 54 54 TRP HD1 H 6.934 0.030 1 517 54 54 TRP HE1 H 9.459 0.030 1 518 54 54 TRP HE3 H 5.597 0.030 1 519 54 54 TRP HH2 H 6.226 0.030 1 520 54 54 TRP HZ2 H 6.864 0.030 1 521 54 54 TRP HZ3 H 6.304 0.030 1 522 54 54 TRP C C 180.110 0.300 1 523 54 54 TRP CA C 63.543 0.300 1 524 54 54 TRP CB C 28.771 0.300 1 525 54 54 TRP CD1 C 126.957 0.300 1 526 54 54 TRP CE3 C 120.926 0.300 1 527 54 54 TRP CH2 C 122.318 0.300 1 528 54 54 TRP CZ2 C 113.147 0.300 1 529 54 54 TRP CZ3 C 121.068 0.300 1 530 54 54 TRP N N 122.326 0.300 1 531 54 54 TRP NE1 N 127.802 0.300 1 532 55 55 PHE H H 9.196 0.030 1 533 55 55 PHE HA H 3.808 0.030 1 534 55 55 PHE HB2 H 3.382 0.030 2 535 55 55 PHE HB3 H 3.308 0.030 2 536 55 55 PHE HD1 H 7.929 0.030 1 537 55 55 PHE HD2 H 7.929 0.030 1 538 55 55 PHE HE1 H 7.491 0.030 1 539 55 55 PHE HE2 H 7.491 0.030 1 540 55 55 PHE HZ H 7.377 0.030 1 541 55 55 PHE C C 177.973 0.300 1 542 55 55 PHE CA C 63.557 0.300 1 543 55 55 PHE CB C 39.139 0.300 1 544 55 55 PHE CD1 C 132.720 0.300 1 545 55 55 PHE CD2 C 132.720 0.300 1 546 55 55 PHE CE1 C 131.226 0.300 1 547 55 55 PHE CE2 C 131.226 0.300 1 548 55 55 PHE CZ C 130.076 0.300 1 549 55 55 PHE N N 118.085 0.300 1 550 56 56 GLN H H 8.289 0.030 1 551 56 56 GLN HA H 3.992 0.030 1 552 56 56 GLN HB2 H 2.225 0.030 2 553 56 56 GLN HB3 H 2.314 0.030 2 554 56 56 GLN HE21 H 6.871 0.030 2 555 56 56 GLN HE22 H 7.496 0.030 2 556 56 56 GLN HG2 H 2.528 0.030 2 557 56 56 GLN HG3 H 2.444 0.030 2 558 56 56 GLN C C 179.212 0.300 1 559 56 56 GLN CA C 59.699 0.300 1 560 56 56 GLN CB C 28.236 0.300 1 561 56 56 GLN CG C 33.740 0.300 1 562 56 56 GLN N N 119.990 0.300 1 563 56 56 GLN NE2 N 111.279 0.300 1 564 57 57 ASN H H 8.244 0.030 1 565 57 57 ASN HA H 4.341 0.030 1 566 57 57 ASN HB2 H 2.482 0.030 2 567 57 57 ASN HB3 H 2.677 0.030 2 568 57 57 ASN HD21 H 6.931 0.030 2 569 57 57 ASN HD22 H 7.495 0.030 2 570 57 57 ASN C C 177.124 0.300 1 571 57 57 ASN CA C 55.820 0.300 1 572 57 57 ASN CB C 38.025 0.300 1 573 57 57 ASN N N 119.713 0.300 1 574 57 57 ASN ND2 N 113.576 0.300 1 575 58 58 ALA H H 8.224 0.030 1 576 58 58 ALA HA H 3.323 0.030 1 577 58 58 ALA HB H -0.417 0.030 1 578 58 58 ALA C C 180.814 0.300 1 579 58 58 ALA CA C 54.712 0.300 1 580 58 58 ALA CB C 16.697 0.300 1 581 58 58 ALA N N 125.439 0.300 1 582 59 59 ARG H H 8.404 0.030 1 583 59 59 ARG HA H 4.009 0.030 1 584 59 59 ARG HB2 H 1.891 0.030 2 585 59 59 ARG HB3 H 2.233 0.030 2 586 59 59 ARG HD2 H 3.584 0.030 2 587 59 59 ARG HD3 H 3.274 0.030 2 588 59 59 ARG HG2 H 1.572 0.030 2 589 59 59 ARG HG3 H 2.490 0.030 2 590 59 59 ARG C C 178.678 0.300 1 591 59 59 ARG CA C 60.969 0.300 1 592 59 59 ARG CB C 31.491 0.300 1 593 59 59 ARG CD C 44.095 0.300 1 594 59 59 ARG CG C 30.344 0.300 1 595 59 59 ARG N N 118.829 0.300 1 596 60 60 ALA H H 7.711 0.030 1 597 60 60 ALA HA H 4.162 0.030 1 598 60 60 ALA HB H 1.511 0.030 1 599 60 60 ALA C C 180.086 0.300 1 600 60 60 ALA CA C 55.116 0.300 1 601 60 60 ALA CB C 17.993 0.300 1 602 60 60 ALA N N 122.099 0.300 1 603 61 61 LYS H H 7.845 0.030 1 604 61 61 LYS HA H 3.912 0.030 1 605 61 61 LYS HB2 H 1.662 0.030 2 606 61 61 LYS HB3 H 1.697 0.030 2 607 61 61 LYS HD2 H 1.496 0.030 1 608 61 61 LYS HD3 H 1.496 0.030 1 609 61 61 LYS HE2 H 2.807 0.030 1 610 61 61 LYS HE3 H 2.807 0.030 1 611 61 61 LYS HG2 H 1.261 0.030 2 612 61 61 LYS HG3 H 1.375 0.030 2 613 61 61 LYS C C 177.876 0.300 1 614 61 61 LYS CA C 58.699 0.300 1 615 61 61 LYS CB C 32.412 0.300 1 616 61 61 LYS CD C 29.137 0.300 1 617 61 61 LYS CE C 42.045 0.300 1 618 61 61 LYS CG C 24.896 0.300 1 619 61 61 LYS N N 118.453 0.300 1 620 62 62 PHE H H 7.986 0.030 1 621 62 62 PHE HA H 4.249 0.030 1 622 62 62 PHE HB2 H 3.322 0.030 2 623 62 62 PHE HB3 H 3.205 0.030 2 624 62 62 PHE HD1 H 7.347 0.030 1 625 62 62 PHE HD2 H 7.347 0.030 1 626 62 62 PHE HE1 H 7.444 0.030 1 627 62 62 PHE HE2 H 7.444 0.030 1 628 62 62 PHE HZ H 7.441 0.030 1 629 62 62 PHE C C 177.148 0.300 1 630 62 62 PHE CA C 60.592 0.300 1 631 62 62 PHE CB C 39.439 0.300 1 632 62 62 PHE CD1 C 132.079 0.300 1 633 62 62 PHE CD2 C 132.079 0.300 1 634 62 62 PHE CE1 C 131.843 0.300 1 635 62 62 PHE CE2 C 131.843 0.300 1 636 62 62 PHE CZ C 131.405 0.300 1 637 62 62 PHE N N 120.207 0.300 1 638 63 63 ARG H H 8.034 0.030 1 639 63 63 ARG HA H 4.071 0.030 1 640 63 63 ARG HB2 H 1.937 0.030 1 641 63 63 ARG HB3 H 1.937 0.030 1 642 63 63 ARG HD2 H 3.249 0.030 1 643 63 63 ARG HD3 H 3.249 0.030 1 644 63 63 ARG HG2 H 1.828 0.030 2 645 63 63 ARG HG3 H 1.689 0.030 2 646 63 63 ARG C C 177.342 0.300 1 647 63 63 ARG CA C 58.068 0.300 1 648 63 63 ARG CB C 30.282 0.300 1 649 63 63 ARG CD C 43.446 0.300 1 650 63 63 ARG CG C 27.583 0.300 1 651 63 63 ARG N N 119.257 0.300 1 652 64 64 ARG H H 7.956 0.030 1 653 64 64 ARG HA H 4.096 0.030 1 654 64 64 ARG HB2 H 1.849 0.030 1 655 64 64 ARG HB3 H 1.849 0.030 1 656 64 64 ARG HD2 H 3.174 0.030 1 657 64 64 ARG HD3 H 3.174 0.030 1 658 64 64 ARG HG2 H 1.609 0.030 1 659 64 64 ARG HG3 H 1.609 0.030 1 660 64 64 ARG C C 177.366 0.300 1 661 64 64 ARG CA C 57.971 0.300 1 662 64 64 ARG CB C 30.419 0.300 1 663 64 64 ARG CD C 43.446 0.300 1 664 64 64 ARG CG C 27.511 0.300 1 665 64 64 ARG N N 119.492 0.300 1 666 65 65 ASN H H 8.042 0.030 1 667 65 65 ASN HA H 4.537 0.030 1 668 65 65 ASN HB2 H 2.783 0.030 2 669 65 65 ASN HB3 H 2.711 0.030 2 670 65 65 ASN HD21 H 7.548 0.030 2 671 65 65 ASN HD22 H 6.861 0.030 2 672 65 65 ASN C C 176.152 0.300 1 673 65 65 ASN CA C 54.348 0.300 1 674 65 65 ASN CB C 38.466 0.300 1 675 65 65 ASN N N 117.555 0.300 1 676 65 65 ASN ND2 N 112.706 0.300 1 677 66 66 LEU H H 7.777 0.030 1 678 66 66 LEU HA H 4.140 0.030 1 679 66 66 LEU HB2 H 1.571 0.030 1 680 66 66 LEU HB3 H 1.571 0.030 1 681 66 66 LEU HD1 H 0.828 0.030 1 682 66 66 LEU HD2 H 0.786 0.030 1 683 66 66 LEU HG H 1.537 0.030 1 684 66 66 LEU C C 177.779 0.300 1 685 66 66 LEU CA C 56.138 0.300 1 686 66 66 LEU CB C 42.160 0.300 1 687 66 66 LEU CD1 C 25.050 0.300 2 688 66 66 LEU CD2 C 23.483 0.300 2 689 66 66 LEU CG C 26.665 0.300 1 690 66 66 LEU N N 121.103 0.300 1 691 67 67 LEU H H 7.861 0.030 1 692 67 67 LEU HA H 4.252 0.030 1 693 67 67 LEU HB2 H 1.683 0.030 2 694 67 67 LEU HB3 H 1.570 0.030 2 695 67 67 LEU HD1 H 0.834 0.030 1 696 67 67 LEU HD2 H 0.892 0.030 1 697 67 67 LEU HG H 1.640 0.030 1 698 67 67 LEU C C 177.245 0.300 1 699 67 67 LEU CA C 55.445 0.300 1 700 67 67 LEU CB C 42.122 0.300 1 701 67 67 LEU CD1 C 23.230 0.300 2 702 67 67 LEU CD2 C 25.086 0.300 2 703 67 67 LEU CG C 27.031 0.300 1 704 67 67 LEU N N 120.121 0.300 1 705 68 68 ARG H H 7.963 0.030 1 706 68 68 ARG HA H 4.265 0.030 1 707 68 68 ARG HB2 H 1.745 0.030 2 708 68 68 ARG HB3 H 1.808 0.030 2 709 68 68 ARG HD2 H 3.162 0.030 1 710 68 68 ARG HD3 H 3.162 0.030 1 711 68 68 ARG HG2 H 1.597 0.030 1 712 68 68 ARG HG3 H 1.597 0.030 1 713 68 68 ARG C C 175.934 0.300 1 714 68 68 ARG CA C 56.208 0.300 1 715 68 68 ARG CB C 30.839 0.300 1 716 68 68 ARG CD C 43.352 0.300 1 717 68 68 ARG CG C 27.126 0.300 1 718 68 68 ARG N N 120.189 0.300 1 719 69 69 GLN H H 8.303 0.030 1 720 69 69 GLN HA H 4.320 0.030 1 721 69 69 GLN HB2 H 1.972 0.030 2 722 69 69 GLN HB3 H 2.091 0.030 2 723 69 69 GLN HE21 H 6.810 0.030 2 724 69 69 GLN HE22 H 7.536 0.030 2 725 69 69 GLN HG2 H 2.338 0.030 1 726 69 69 GLN HG3 H 2.338 0.030 1 727 69 69 GLN C C 175.740 0.300 1 728 69 69 GLN CA C 55.891 0.300 1 729 69 69 GLN CB C 29.556 0.300 1 730 69 69 GLN CG C 33.894 0.300 1 731 69 69 GLN N N 121.097 0.300 1 732 69 69 GLN NE2 N 112.552 0.300 1 733 70 70 GLU H H 8.391 0.030 1 734 70 70 GLU HA H 4.290 0.030 1 735 70 70 GLU HB2 H 1.877 0.030 2 736 70 70 GLU HB3 H 2.052 0.030 2 737 70 70 GLU HG2 H 2.251 0.030 2 738 70 70 GLU HG3 H 2.213 0.030 2 739 70 70 GLU C C 175.254 0.300 1 740 70 70 GLU CA C 56.490 0.300 1 741 70 70 GLU CB C 30.636 0.300 1 742 70 70 GLU CG C 36.277 0.300 1 743 70 70 GLU N N 122.138 0.300 1 744 71 71 ASN H H 8.095 0.030 1 745 71 71 ASN HA H 4.462 0.030 1 746 71 71 ASN HB2 H 2.688 0.030 2 747 71 71 ASN HB3 H 2.777 0.030 2 748 71 71 ASN HD21 H 7.609 0.030 2 749 71 71 ASN HD22 H 6.908 0.030 2 750 71 71 ASN C C 179.333 0.300 1 751 71 71 ASN CA C 55.009 0.300 1 752 71 71 ASN CB C 41.051 0.300 1 753 71 71 ASN N N 124.912 0.300 1 754 71 71 ASN ND2 N 113.022 0.300 1 755 72 72 GLY HA2 H 3.944 0.030 2 756 72 72 GLY HA3 H 3.872 0.030 2 757 72 72 GLY C C 175.060 0.300 1 758 72 72 GLY CA C 45.579 0.300 1 759 73 73 GLY H H 8.416 0.030 1 760 73 73 GLY HA2 H 3.947 0.030 1 761 73 73 GLY HA3 H 3.947 0.030 1 762 73 73 GLY C C 174.356 0.300 1 763 73 73 GLY CA C 45.280 0.300 1 764 73 73 GLY N N 108.960 0.300 1 765 74 74 VAL H H 8.059 0.030 1 766 74 74 VAL HA H 4.181 0.030 1 767 74 74 VAL HB H 2.102 0.030 1 768 74 74 VAL HG1 H 0.911 0.030 1 769 74 74 VAL HG2 H 0.901 0.030 1 770 74 74 VAL C C 176.419 0.300 1 771 74 74 VAL CA C 62.309 0.300 1 772 74 74 VAL CB C 32.843 0.300 1 773 74 74 VAL CG1 C 21.189 0.300 2 774 74 74 VAL CG2 C 20.267 0.300 2 775 74 74 VAL N N 118.980 0.300 1 776 75 75 SER H H 8.430 0.030 1 777 75 75 SER HA H 4.493 0.030 1 778 75 75 SER HB2 H 3.850 0.030 1 779 75 75 SER HB3 H 3.850 0.030 1 780 75 75 SER C C 174.525 0.300 1 781 75 75 SER CA C 58.349 0.300 1 782 75 75 SER CB C 63.880 0.300 1 783 75 75 SER N N 119.288 0.300 1 784 76 76 GLY H H 8.206 0.030 1 785 76 76 GLY C C 171.757 0.300 1 786 76 76 GLY CA C 44.642 0.300 1 787 76 76 GLY N N 110.769 0.300 1 788 79 79 SER HA H 4.474 0.030 1 789 79 79 SER HB2 H 3.852 0.030 2 790 79 79 SER HB3 H 3.901 0.030 2 791 79 79 SER C C 173.918 0.300 1 792 79 79 SER CA C 58.430 0.300 1 793 79 79 SER CB C 64.045 0.300 1 794 80 80 GLY H H 8.043 0.030 1 795 80 80 GLY HA2 H 3.778 0.030 2 796 80 80 GLY HA3 H 3.732 0.030 2 797 80 80 GLY C C 178.969 0.300 1 798 80 80 GLY CA C 46.223 0.300 1 799 80 80 GLY N N 116.799 0.300 1 stop_ save_