data_25142 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Hox homeodomain ; _BMRB_accession_number 25142 _BMRB_flat_file_name bmr25142.str _Entry_type original _Submission_date 2014-08-11 _Accession_date 2014-08-11 _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 Kim Hyun-Hwi . . 2 Park 'Sung Jean' . . 3 Han Jung-Hwa . . 4 Lee Bong-Jin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 363 "13C chemical shifts" 285 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-14 original BMRB . stop_ _Original_release_date 2015-09-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25707357 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Hyun-Hwi . . 2 Park 'Sung Jean' . . 3 Han Jung-Hwa . . 4 Pathak Chinar . . 5 Cheong Hae-Kap . . 6 Lee Bong-Jin . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1854 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 449 _Page_last 459 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Hox homeodomain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hox homeodomain' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8677.323 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; ANWIHARSTRKKRCPYTKYQ TLELEKEFLFNMYLTRDRRY EVARVLNLTERQVKIWFQNR RMKMKKMN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASN 3 3 TRP 4 4 ILE 5 5 HIS 6 6 ALA 7 7 ARG 8 8 SER 9 9 THR 10 10 ARG 11 11 LYS 12 12 LYS 13 13 ARG 14 14 CYS 15 15 PRO 16 16 TYR 17 17 THR 18 18 LYS 19 19 TYR 20 20 GLN 21 21 THR 22 22 LEU 23 23 GLU 24 24 LEU 25 25 GLU 26 26 LYS 27 27 GLU 28 28 PHE 29 29 LEU 30 30 PHE 31 31 ASN 32 32 MET 33 33 TYR 34 34 LEU 35 35 THR 36 36 ARG 37 37 ASP 38 38 ARG 39 39 ARG 40 40 TYR 41 41 GLU 42 42 VAL 43 43 ALA 44 44 ARG 45 45 VAL 46 46 LEU 47 47 ASN 48 48 LEU 49 49 THR 50 50 GLU 51 51 ARG 52 52 GLN 53 53 VAL 54 54 LYS 55 55 ILE 56 56 TRP 57 57 PHE 58 58 GLN 59 59 ASN 60 60 ARG 61 61 ARG 62 62 MET 63 63 LYS 64 64 MET 65 65 LYS 66 66 LYS 67 67 MET 68 68 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 BMRB 17407 entity_1 88.24 60 100.00 100.00 9.06e-34 PDB 2LP0 "The Solution Structure Of Homeodomain-Protein Complex" 88.24 60 100.00 100.00 9.06e-34 PDB 2MSY "Solution Structure Of Hox Homeodomain" 100.00 68 100.00 100.00 8.26e-41 DBJ BAA86253 "HOXC9A [Oryzias latipes]" 100.00 262 100.00 100.00 1.58e-40 DBJ BAB28077 "unnamed protein product [Mus musculus]" 100.00 260 100.00 100.00 8.71e-42 DBJ BAC37378 "unnamed protein product [Mus musculus]" 100.00 260 100.00 100.00 8.71e-42 DBJ BAE22140 "unnamed protein product [Mus musculus]" 100.00 339 97.06 100.00 3.82e-42 DBJ BAE26045 "unnamed protein product [Mus musculus]" 100.00 151 97.06 100.00 1.09e-41 EMBL CAA30487 "unnamed protein product [Mus musculus]" 95.59 74 100.00 100.00 2.56e-38 EMBL CAA33528 "Hox5.2 gene product (79 AA) [Homo sapiens]" 100.00 79 97.06 100.00 5.79e-40 EMBL CAA39026 "Hox-3.2 [Mus musculus]" 100.00 260 100.00 100.00 8.71e-42 EMBL CAA42016 "homeobox protein [Homo sapiens]" 100.00 342 97.06 100.00 4.05e-42 EMBL CAA44542 "Hox-4.4 [Mus musculus]" 100.00 339 97.06 100.00 3.82e-42 GB AAA37856 "Hox-3.2 protein, partial [Mus musculus]" 95.59 74 100.00 100.00 2.56e-38 GB AAB04756 "Hoxc-9, partial [Ovis aries]" 100.00 96 100.00 100.00 2.05e-41 GB AAB68680 "homeobox protein HOXC-9 [Takifugu rubripes]" 100.00 261 98.53 100.00 3.21e-39 GB AAD15960 "homeobox protein [Danio rerio]" 100.00 260 100.00 100.00 5.07e-39 GB AAD15961 "homeobox protein [Danio rerio]" 100.00 262 97.06 100.00 4.89e-38 PIR C45187 "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" 54.41 37 97.30 100.00 1.21e-15 PIR D45187 "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" 54.41 37 100.00 100.00 3.72e-16 REF NP_001017256 "homeobox C9 [Xenopus (Silurana) tropicalis]" 100.00 100 100.00 100.00 2.79e-41 REF NP_001094377 "homeobox protein Hox-C9 [Rattus norvegicus]" 100.00 260 100.00 100.00 8.71e-42 REF NP_001132998 "homeobox protein HoxC9aa [Salmo salar]" 100.00 262 97.06 100.00 1.60e-38 REF NP_001133005 "homeobox protein HoxC9ab [Salmo salar]" 100.00 262 98.53 100.00 4.45e-40 REF NP_001133012 "homeobox protein HoxC9ba [Salmo salar]" 100.00 261 98.53 98.53 1.16e-39 SP B5DFK3 "RecName: Full=Homeobox protein Hox-D9" 100.00 343 97.06 100.00 4.14e-42 SP O42502 "RecName: Full=Homeobox protein Hox-C9a; AltName: Full=FrHOXC-9" 100.00 261 98.53 100.00 3.21e-39 SP P09633 "RecName: Full=Homeobox protein Hox-C9; AltName: Full=Homeobox protein Hox-3.2" 100.00 260 100.00 100.00 8.71e-42 SP P28356 "RecName: Full=Homeobox protein Hox-D9; AltName: Full=Homeobox protein Hox-4C; AltName: Full=Homeobox protein Hox-5.2" 100.00 352 97.06 100.00 4.94e-42 SP P28357 "RecName: Full=Homeobox protein Hox-D9; AltName: Full=Homeobox protein Hox-4.4; AltName: Full=Homeobox protein Hox-5.2" 100.00 339 97.06 100.00 3.82e-42 TPG DAA30041 "TPA: homeobox C9-like [Bos taurus]" 100.00 260 100.00 100.00 8.71e-42 TPG DAA32777 "TPA: homeobox D9-like [Bos taurus]" 100.00 484 97.06 100.00 3.51e-41 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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_name $entity 'recombinant technology' . Escherichia coli . 'pET28a (+)' 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 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 external 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D 1H-15N TOCSY' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Hox homeodomain' _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 1 1 ALA HA H 4.132 0.000 . 2 1 1 ALA C C 176.549 0.000 . 3 1 1 ALA CA C 53.821 0.000 . 4 1 1 ALA CB C 19.533 0.000 . 5 1 1 ALA N N 126.251 0.000 . 6 2 2 ASN H H 7.926 0.000 . 7 2 2 ASN HA H 4.137 0.000 . 8 2 2 ASN HB2 H 2.716 0.000 . 9 2 2 ASN C C 170.976 0.000 . 10 2 2 ASN CA C 53.812 0.000 . 11 2 2 ASN CB C 38.888 0.000 . 12 2 2 ASN N N 125.670 0.000 . 13 3 3 TRP H H 7.920 0.000 . 14 3 3 TRP HA H 4.762 0.000 . 15 3 3 TRP HB2 H 3.223 0.000 . 16 3 3 TRP C C 176.062 0.000 . 17 3 3 TRP CA C 57.970 0.000 . 18 3 3 TRP CB C 29.629 0.000 . 19 3 3 TRP N N 122.562 0.000 . 20 4 4 ILE H H 7.893 0.000 . 21 4 4 ILE HA H 4.171 0.000 . 22 4 4 ILE HB H 1.666 0.000 . 23 4 4 ILE HG12 H 1.187 0.000 . 24 4 4 ILE HG2 H 0.683 0.000 . 25 4 4 ILE C C 175.825 0.000 . 26 4 4 ILE CA C 61.409 0.000 . 27 4 4 ILE CB C 38.645 0.000 . 28 4 4 ILE CG1 C 27.262 0.000 . 29 4 4 ILE CG2 C 17.285 0.000 . 30 4 4 ILE N N 122.339 0.000 . 31 5 5 HIS H H 8.015 0.000 . 32 5 5 HIS HA H 4.528 0.000 . 33 5 5 HIS HB2 H 3.098 0.000 . 34 5 5 HIS HB3 H 2.959 0.000 . 35 5 5 HIS C C 175.039 0.000 . 36 5 5 HIS CA C 56.069 0.000 . 37 5 5 HIS CB C 30.634 0.000 . 38 5 5 HIS N N 122.699 0.000 . 39 6 6 ALA H H 8.183 0.000 . 40 6 6 ALA HA H 4.268 0.000 . 41 6 6 ALA C C 177.735 0.000 . 42 6 6 ALA CA C 52.697 0.000 . 43 6 6 ALA CB C 19.253 0.000 . 44 6 6 ALA N N 125.335 0.000 . 45 7 7 ARG H H 8.399 0.000 . 46 7 7 ARG HA H 4.291 0.000 . 47 7 7 ARG HB2 H 1.753 0.000 . 48 7 7 ARG HD2 H 3.161 0.000 . 49 7 7 ARG C C 176.556 0.000 . 50 7 7 ARG CA C 56.226 0.000 . 51 7 7 ARG CB C 30.933 0.000 . 52 7 7 ARG N N 120.137 0.000 . 53 9 9 THR H H 8.081 0.000 . 54 9 9 THR HA H 4.311 0.000 . 55 9 9 THR HB H 4.220 0.000 . 56 9 9 THR HG2 H 1.156 0.000 . 57 9 9 THR C C 174.493 0.000 . 58 9 9 THR CA C 61.970 0.000 . 59 9 9 THR CB C 69.840 0.000 . 60 9 9 THR CG2 C 21.782 0.000 . 61 9 9 THR N N 115.696 0.000 . 62 10 10 ARG H H 8.275 0.000 . 63 10 10 ARG HA H 4.313 0.000 . 64 10 10 ARG HB2 H 1.778 0.000 . 65 10 10 ARG HB3 H 1.778 0.000 . 66 10 10 ARG HG2 H 1.627 0.000 . 67 10 10 ARG HG3 H 1.627 0.000 . 68 10 10 ARG HD2 H 3.171 0.000 . 69 10 10 ARG HD3 H 3.171 0.000 . 70 10 10 ARG C C 176.173 0.000 . 71 10 10 ARG CA C 56.227 0.000 . 72 10 10 ARG CB C 30.933 0.000 . 73 10 10 ARG CG C 27.201 0.000 . 74 10 10 ARG CD C 43.475 0.000 . 75 10 10 ARG N N 123.599 0.000 . 76 11 11 LYS H H 8.334 0.000 . 77 11 11 LYS HA H 4.298 0.000 . 78 11 11 LYS HB2 H 1.748 0.000 . 79 11 11 LYS CA C 56.648 0.000 . 80 11 11 LYS CB C 33.181 0.000 . 81 11 11 LYS N N 123.132 0.000 . 82 12 12 LYS H H 8.357 0.000 . 83 12 12 LYS HA H 4.254 0.000 . 84 12 12 LYS HB2 H 1.731 0.000 . 85 12 12 LYS HG2 H 1.460 0.000 . 86 12 12 LYS HD2 H 1.685 0.000 . 87 12 12 LYS HE2 H 2.811 0.000 . 88 12 12 LYS C C 176.124 0.000 . 89 12 12 LYS CA C 56.631 0.000 . 90 12 12 LYS CB C 33.164 0.000 . 91 12 12 LYS CG C 24.874 0.000 . 92 12 12 LYS CD C 29.230 0.000 . 93 12 12 LYS CE C 42.017 0.000 . 94 12 12 LYS N N 123.229 0.000 . 95 13 13 ARG H H 8.439 0.000 . 96 13 13 ARG HA H 4.317 0.000 . 97 13 13 ARG HB2 H 1.787 0.000 . 98 13 13 ARG HB3 H 1.787 0.000 . 99 13 13 ARG HG2 H 3.145 0.000 . 100 13 13 ARG HD2 H 1.617 0.000 . 101 13 13 ARG C C 175.831 0.000 . 102 13 13 ARG CA C 56.210 0.000 . 103 13 13 ARG CB C 30.073 0.000 . 104 13 13 ARG CG C 43.422 0.000 . 105 13 13 ARG CD C 27.121 0.000 . 106 13 13 ARG N N 123.166 0.000 . 107 14 14 CYS H H 8.542 0.000 . 108 14 14 CYS HA H 4.614 0.000 . 109 14 14 CYS CA C 56.771 0.000 . 110 14 14 CYS N N 123.412 0.000 . 111 15 15 PRO HA H 4.333 0.000 . 112 15 15 PRO HB2 H 2.154 0.000 . 113 15 15 PRO HB3 H 1.630 0.000 . 114 15 15 PRO HG2 H 1.946 0.000 . 115 15 15 PRO HD2 H 3.807 0.000 . 116 15 15 PRO HD3 H 3.747 0.000 . 117 15 15 PRO C C 175.713 0.000 . 118 15 15 PRO CA C 63.798 0.000 . 119 15 15 PRO CB C 32.040 0.000 . 120 15 15 PRO CG C 26.700 0.000 . 121 15 15 PRO CD C 51.010 0.000 . 122 16 16 TYR H H 7.539 0.000 . 123 16 16 TYR HA H 4.925 0.000 . 124 16 16 TYR HB2 H 2.742 0.000 . 125 16 16 TYR HB3 H 3.034 0.000 . 126 16 16 TYR HD1 H 7.043 0.000 . 127 16 16 TYR HD2 H 7.043 0.000 . 128 16 16 TYR HE1 H 6.788 0.000 . 129 16 16 TYR HE2 H 6.788 0.000 . 130 16 16 TYR C C 176.803 0.000 . 131 16 16 TYR CA C 56.583 0.000 . 132 16 16 TYR CB C 40.045 0.000 . 133 16 16 TYR N N 116.961 0.000 . 134 17 17 THR H H 9.305 0.000 . 135 17 17 THR HA H 4.469 0.000 . 136 17 17 THR HB H 4.845 0.000 . 137 17 17 THR HG2 H 1.373 0.000 . 138 17 17 THR C C 175.593 0.000 . 139 17 17 THR CA C 60.987 0.000 . 140 17 17 THR CB C 71.240 0.000 . 141 17 17 THR CG2 C 21.923 0.000 . 142 17 17 THR N N 115.107 0.000 . 143 18 18 LYS H H 8.990 0.000 . 144 18 18 LYS HA H 4.091 0.000 . 145 18 18 LYS HB2 H 1.923 0.000 . 146 18 18 LYS HB3 H 1.923 0.000 . 147 18 18 LYS HG2 H 1.315 0.000 . 148 18 18 LYS HD2 H 1.685 0.000 . 149 18 18 LYS C C 178.363 0.000 . 150 18 18 LYS CA C 60.004 0.000 . 151 18 18 LYS CB C 32.040 0.000 . 152 18 18 LYS CG C 27.824 0.000 . 153 18 18 LYS CD C 29.229 0.000 . 154 18 18 LYS N N 123.297 0.000 . 155 19 19 TYR H H 8.334 0.000 . 156 19 19 TYR HA H 4.171 0.000 . 157 19 19 TYR HB2 H 2.789 0.000 . 158 19 19 TYR HB3 H 3.242 0.000 . 159 19 19 TYR HD1 H 7.067 0.000 . 160 19 19 TYR HD2 H 7.067 0.000 . 161 19 19 TYR C C 176.959 0.000 . 162 19 19 TYR CA C 61.409 0.000 . 163 19 19 TYR CB C 38.802 0.000 . 164 19 19 TYR CD1 C 133.334 0.000 . 165 19 19 TYR CE2 C 118.469 0.000 . 166 19 19 TYR N N 118.372 0.000 . 167 20 20 GLN H H 7.771 0.000 . 168 20 20 GLN HA H 3.536 0.000 . 169 20 20 GLN HB2 H 2.603 0.000 . 170 20 20 GLN HB3 H 1.602 0.000 . 171 20 20 GLN HG2 H 2.723 0.000 . 172 20 20 GLN HG3 H 2.723 0.000 . 173 20 20 GLN C C 177.491 0.000 . 174 20 20 GLN CA C 59.301 0.000 . 175 20 20 GLN CB C 28.105 0.000 . 176 20 20 GLN CG C 34.991 0.000 . 177 20 20 GLN N N 116.238 0.000 . 178 21 21 THR H H 8.468 0.000 . 179 21 21 THR HA H 3.401 0.000 . 180 21 21 THR HB H 4.316 0.000 . 181 21 21 THR HG2 H 1.308 0.000 . 182 21 21 THR C C 175.530 0.000 . 183 21 21 THR CA C 67.451 0.000 . 184 21 21 THR CB C 68.856 0.000 . 185 21 21 THR CG2 C 22.344 0.000 . 186 21 21 THR N N 112.943 0.000 . 187 22 22 LEU H H 8.054 0.000 . 188 22 22 LEU HA H 3.979 0.000 . 189 22 22 LEU HB2 H 1.875 0.000 . 190 22 22 LEU HB3 H 1.492 0.000 . 191 22 22 LEU HG H 1.765 0.000 . 192 22 22 LEU HD1 H 0.875 0.000 . 193 22 22 LEU HD2 H 0.869 0.000 . 194 22 22 LEU C C 180.452 0.000 . 195 22 22 LEU CA C 58.036 0.000 . 196 22 22 LEU CB C 41.877 0.000 . 197 22 22 LEU CG C 27.122 0.000 . 198 22 22 LEU CD1 C 25.436 0.000 . 199 22 22 LEU N N 121.513 0.000 . 200 23 23 GLU H H 7.732 0.000 . 201 23 23 GLU HA H 3.836 0.000 . 202 23 23 GLU HB2 H 1.935 0.000 . 203 23 23 GLU HB3 H 1.645 0.000 . 204 23 23 GLU HG2 H 1.706 0.000 . 205 23 23 GLU HG3 H 1.706 0.000 . 206 23 23 GLU C C 179.824 0.000 . 207 23 23 GLU CA C 58.598 0.000 . 208 23 23 GLU CB C 30.932 0.000 . 209 23 23 GLU CG C 35.834 0.000 . 210 23 23 GLU N N 118.464 0.000 . 211 24 24 LEU H H 8.335 0.000 . 212 24 24 LEU HA H 3.512 0.000 . 213 24 24 LEU HB2 H 0.429 0.000 . 214 24 24 LEU HB3 H -1.030 0.000 . 215 24 24 LEU HG H 1.087 0.000 . 216 24 24 LEU HD1 H -0.558 0.000 . 217 24 24 LEU HD2 H 0.437 0.000 . 218 24 24 LEU C C 177.592 0.000 . 219 24 24 LEU CA C 58.458 0.000 . 220 24 24 LEU CB C 37.520 0.000 . 221 24 24 LEU CG C 25.875 0.000 . 222 24 24 LEU CD1 C 23.187 0.000 . 223 24 24 LEU CD2 C 23.187 0.000 . 224 24 24 LEU N N 124.210 0.000 . 225 25 25 GLU H H 7.912 0.000 . 226 25 25 GLU HA H 4.247 0.000 . 227 25 25 GLU HB2 H 1.977 0.000 . 228 25 25 GLU HB3 H 2.160 0.000 . 229 25 25 GLU HG2 H 2.358 0.000 . 230 25 25 GLU HG3 H 2.454 0.000 . 231 25 25 GLU C C 179.021 0.000 . 232 25 25 GLU CA C 60.003 0.000 . 233 25 25 GLU CB C 28.668 0.000 . 234 25 25 GLU CG C 34.007 0.000 . 235 25 25 GLU N N 119.137 0.000 . 236 26 26 LYS H H 7.537 0.000 . 237 26 26 LYS HA H 3.917 0.000 . 238 26 26 LYS HB2 H 1.869 0.000 . 239 26 26 LYS HB3 H 1.869 0.000 . 240 26 26 LYS HG2 H 1.603 0.000 . 241 26 26 LYS HG3 H 1.603 0.000 . 242 26 26 LYS HD2 H 1.346 0.000 . 243 26 26 LYS HD3 H 1.346 0.000 . 244 26 26 LYS HE2 H 2.887 0.000 . 245 26 26 LYS C C 179.351 0.000 . 246 26 26 LYS CA C 60.003 0.000 . 247 26 26 LYS CB C 32.602 0.000 . 248 26 26 LYS CG C 25.014 0.000 . 249 26 26 LYS CD C 29.229 0.000 . 250 26 26 LYS CE C 42.017 0.000 . 251 26 26 LYS N N 118.579 0.000 . 252 27 27 GLU H H 7.849 0.000 . 253 27 27 GLU HA H 4.145 0.000 . 254 27 27 GLU HB2 H 2.373 0.000 . 255 27 27 GLU HG2 H 2.275 0.000 . 256 27 27 GLU HG3 H 2.223 0.000 . 257 27 27 GLU C C 178.189 0.000 . 258 27 27 GLU CA C 59.020 0.000 . 259 27 27 GLU CB C 28.527 0.000 . 260 27 27 GLU CG C 36.537 0.000 . 261 27 27 GLU N N 120.048 0.000 . 262 28 28 PHE H H 8.893 0.000 . 263 28 28 PHE HA H 4.358 0.000 . 264 28 28 PHE HB2 H 3.204 0.000 . 265 28 28 PHE HB3 H 2.944 0.000 . 266 28 28 PHE HD1 H 7.568 0.000 . 267 28 28 PHE HD2 H 7.568 0.000 . 268 28 28 PHE HE1 H 7.226 0.000 . 269 28 28 PHE HE2 H 7.226 0.000 . 270 28 28 PHE C C 176.148 0.000 . 271 28 28 PHE CA C 61.830 0.000 . 272 28 28 PHE CB C 39.347 0.000 . 273 28 28 PHE CD1 C 132.561 0.000 . 274 28 28 PHE CE2 C 131.425 0.000 . 275 28 28 PHE N N 122.074 0.000 . 276 29 29 LEU H H 7.919 0.000 . 277 29 29 LEU HA H 3.963 0.000 . 278 29 29 LEU HB2 H 1.492 0.000 . 279 29 29 LEU HB3 H 1.801 0.000 . 280 29 29 LEU HG H 1.946 0.000 . 281 29 29 LEU HD1 H 0.945 0.000 . 282 29 29 LEU HD2 H 0.908 0.000 . 283 29 29 LEU C C 179.362 0.000 . 284 29 29 LEU CA C 56.350 0.000 . 285 29 29 LEU CB C 41.756 0.000 . 286 29 29 LEU CG C 26.700 0.000 . 287 29 29 LEU CD1 C 25.155 0.000 . 288 29 29 LEU CD2 C 22.766 0.000 . 289 29 29 LEU N N 115.649 0.000 . 290 30 30 PHE H H 7.584 0.000 . 291 30 30 PHE HA H 4.445 0.000 . 292 30 30 PHE HB2 H 3.285 0.000 . 293 30 30 PHE HD1 H 7.324 0.000 . 294 30 30 PHE HD2 H 7.324 0.000 . 295 30 30 PHE C C 176.451 0.000 . 296 30 30 PHE CA C 59.582 0.000 . 297 30 30 PHE CB C 39.628 0.000 . 298 30 30 PHE CD1 C 131.954 0.000 . 299 30 30 PHE N N 119.314 0.000 . 300 31 31 ASN H H 8.375 0.000 . 301 31 31 ASN HA H 4.592 0.000 . 302 31 31 ASN HB2 H 2.846 0.000 . 303 31 31 ASN HB3 H 2.846 0.000 . 304 31 31 ASN HD21 H 8.087 0.000 . 305 31 31 ASN HD22 H 7.361 0.000 . 306 31 31 ASN C C 173.302 0.000 . 307 31 31 ASN CA C 53.961 0.000 . 308 31 31 ASN CB C 39.347 0.000 . 309 31 31 ASN N N 116.457 0.000 . 310 31 31 ASN ND2 N 115.725 0.000 . 311 32 32 MET H H 8.185 0.000 . 312 32 32 MET HA H 3.761 0.000 . 313 32 32 MET HB2 H 1.388 0.000 . 314 32 32 MET HB3 H 1.676 0.000 . 315 32 32 MET HG2 H 1.976 0.000 . 316 32 32 MET C C 174.112 0.000 . 317 32 32 MET CA C 57.474 0.000 . 318 32 32 MET CB C 33.586 0.000 . 319 32 32 MET CG C 31.338 0.000 . 320 32 32 MET N N 121.247 0.000 . 321 33 33 TYR H H 7.758 0.000 . 322 33 33 TYR HA H 4.677 0.000 . 323 33 33 TYR HB2 H 2.697 0.000 . 324 33 33 TYR HB3 H 2.829 0.000 . 325 33 33 TYR HD1 H 7.150 0.000 . 326 33 33 TYR HD2 H 7.150 0.000 . 327 33 33 TYR C C 175.017 0.000 . 328 33 33 TYR CA C 57.193 0.000 . 329 33 33 TYR CB C 40.190 0.000 . 330 33 33 TYR CD2 C 133.774 0.000 . 331 33 33 TYR CE2 C 117.892 0.000 . 332 33 33 TYR N N 115.333 0.000 . 333 34 34 LEU H H 8.293 0.000 . 334 34 34 LEU HA H 4.592 0.000 . 335 34 34 LEU HB2 H 1.472 0.000 . 336 34 34 LEU HB3 H 1.223 0.000 . 337 34 34 LEU HG H 0.803 0.000 . 338 34 34 LEU HD1 H 0.183 0.000 . 339 34 34 LEU HD2 H 0.512 0.000 . 340 34 34 LEU C C 178.373 0.000 . 341 34 34 LEU CA C 53.961 0.000 . 342 34 34 LEU CB C 43.844 0.000 . 343 34 34 LEU CG C 26.559 0.000 . 344 34 34 LEU CD1 C 25.875 0.000 . 345 34 34 LEU CD2 C 23.890 0.000 . 346 34 34 LEU N N 122.393 0.000 . 347 35 35 THR H H 7.729 0.000 . 348 35 35 THR HA H 4.445 0.000 . 349 35 35 THR HB H 4.691 0.000 . 350 35 35 THR HG2 H 1.367 0.000 . 351 35 35 THR C C 175.115 0.000 . 352 35 35 THR CA C 59.582 0.000 . 353 35 35 THR CB C 70.823 0.000 . 354 35 35 THR CG2 C 22.204 0.000 . 355 35 35 THR N N 113.078 0.000 . 356 36 36 ARG H H 8.951 0.000 . 357 36 36 ARG HA H 3.829 0.000 . 358 36 36 ARG HB2 H 1.810 0.000 . 359 36 36 ARG HB3 H 1.977 0.000 . 360 36 36 ARG HG2 H 1.592 0.000 . 361 36 36 ARG HG3 H 1.472 0.000 . 362 36 36 ARG HD2 H 3.186 0.000 . 363 36 36 ARG C C 178.596 0.000 . 364 36 36 ARG CA C 60.144 0.000 . 365 36 36 ARG CB C 29.089 0.000 . 366 36 36 ARG CG C 27.122 0.000 . 367 36 36 ARG CD C 43.422 0.000 . 368 36 36 ARG N N 122.118 0.000 . 369 37 37 ASP H H 8.454 0.000 . 370 37 37 ASP HA H 4.426 0.000 . 371 37 37 ASP HB2 H 2.698 0.000 . 372 37 37 ASP HB3 H 2.521 0.000 . 373 37 37 ASP C C 178.603 0.000 . 374 37 37 ASP CA C 57.755 0.000 . 375 37 37 ASP CB C 40.190 0.000 . 376 37 37 ASP N N 116.410 0.000 . 377 38 38 ARG H H 7.795 0.000 . 378 38 38 ARG HA H 4.217 0.000 . 379 38 38 ARG HB2 H 1.825 0.000 . 380 38 38 ARG HB3 H 1.929 0.000 . 381 38 38 ARG HG2 H 1.588 0.000 . 382 38 38 ARG HD2 H 3.413 0.000 . 383 38 38 ARG HD3 H 3.102 0.000 . 384 38 38 ARG C C 177.751 0.000 . 385 38 38 ARG CA C 57.614 0.000 . 386 38 38 ARG CB C 29.932 0.000 . 387 38 38 ARG CG C 26.776 0.000 . 388 38 38 ARG CD C 43.001 0.000 . 389 38 38 ARG N N 121.073 0.000 . 390 39 39 ARG H H 8.650 0.000 . 391 39 39 ARG HA H 3.674 0.000 . 392 39 39 ARG HB2 H 2.012 0.000 . 393 39 39 ARG HB3 H 1.802 0.000 . 394 39 39 ARG HG2 H 1.472 0.000 . 395 39 39 ARG HG3 H 1.536 0.000 . 396 39 39 ARG HD2 H 3.440 0.000 . 397 39 39 ARG HD3 H 3.306 0.000 . 398 39 39 ARG C C 177.405 0.000 . 399 39 39 ARG CA C 60.285 0.000 . 400 39 39 ARG CB C 30.073 0.000 . 401 39 39 ARG CG C 27.965 0.000 . 402 39 39 ARG CD C 43.844 0.000 . 403 39 39 ARG N N 119.603 0.000 . 404 40 40 TYR H H 7.893 0.000 . 405 40 40 TYR HA H 4.071 0.000 . 406 40 40 TYR HB2 H 3.182 0.000 . 407 40 40 TYR HB3 H 3.182 0.000 . 408 40 40 TYR HD1 H 7.266 0.000 . 409 40 40 TYR HD2 H 7.266 0.000 . 410 40 40 TYR C C 177.632 0.000 . 411 40 40 TYR CA C 62.392 0.000 . 412 40 40 TYR CB C 37.801 0.000 . 413 40 40 TYR CD2 C 133.622 0.000 . 414 40 40 TYR CE2 C 118.277 0.000 . 415 40 40 TYR N N 116.995 0.000 . 416 41 41 GLU H H 7.687 0.000 . 417 41 41 GLU HA H 4.139 0.000 . 418 41 41 GLU HB2 H 2.221 0.000 . 419 41 41 GLU HB3 H 2.076 0.000 . 420 41 41 GLU HG2 H 2.390 0.000 . 421 41 41 GLU HG3 H 2.390 0.000 . 422 41 41 GLU C C 178.263 0.000 . 423 41 41 GLU CA C 58.036 0.000 . 424 41 41 GLU CB C 30.073 0.000 . 425 41 41 GLU CG C 35.272 0.000 . 426 41 41 GLU N N 120.324 0.000 . 427 42 42 VAL H H 8.675 0.000 . 428 42 42 VAL HA H 3.521 0.000 . 429 42 42 VAL HB H 1.869 0.000 . 430 42 42 VAL HG1 H 0.908 0.000 . 431 42 42 VAL HG2 H 0.789 0.000 . 432 42 42 VAL C C 177.248 0.000 . 433 42 42 VAL CA C 66.186 0.000 . 434 42 42 VAL CB C 32.602 0.000 . 435 42 42 VAL CG1 C 22.765 0.000 . 436 42 42 VAL CG2 C 22.203 0.000 . 437 42 42 VAL N N 120.030 0.000 . 438 43 43 ALA H H 8.026 0.000 . 439 43 43 ALA HA H 3.568 0.000 . 440 43 43 ALA HB H 1.306 0.000 . 441 43 43 ALA C C 179.037 0.000 . 442 43 43 ALA CA C 56.069 0.000 . 443 43 43 ALA CB C 17.426 0.000 . 444 43 43 ALA N N 119.887 0.000 . 445 44 44 ARG H H 7.771 0.000 . 446 44 44 ARG HA H 4.001 0.000 . 447 44 44 ARG HB2 H 1.932 0.000 . 448 44 44 ARG HB3 H 1.747 0.000 . 449 44 44 ARG HG2 H 1.584 0.000 . 450 44 44 ARG HG3 H 1.436 0.000 . 451 44 44 ARG HD2 H 3.013 0.000 . 452 44 44 ARG HD3 H 3.307 0.000 . 453 44 44 ARG C C 180.290 0.000 . 454 44 44 ARG CA C 59.301 0.000 . 455 44 44 ARG CB C 30.073 0.000 . 456 44 44 ARG CG C 27.129 0.000 . 457 44 44 ARG CD C 43.703 0.000 . 458 44 44 ARG N N 116.238 0.000 . 459 45 45 VAL H H 8.250 0.000 . 460 45 45 VAL HA H 3.810 0.000 . 461 45 45 VAL HB H 2.153 0.000 . 462 45 45 VAL HG1 H 1.087 0.000 . 463 45 45 VAL HG2 H 0.992 0.000 . 464 45 45 VAL C C 177.986 0.000 . 465 45 45 VAL CA C 65.203 0.000 . 466 45 45 VAL CB C 32.602 0.000 . 467 45 45 VAL CG1 C 22.485 0.000 . 468 45 45 VAL CG2 C 21.220 0.000 . 469 45 45 VAL N N 118.391 0.000 . 470 46 46 LEU H H 7.896 0.000 . 471 46 46 LEU HA H 4.507 0.000 . 472 46 46 LEU HB2 H 1.701 0.000 . 473 46 46 LEU HB3 H 1.419 0.000 . 474 46 46 LEU HD1 H 0.646 0.000 . 475 46 46 LEU HD2 H 0.742 0.000 . 476 46 46 LEU C C 176.657 0.000 . 477 46 46 LEU CA C 54.664 0.000 . 478 46 46 LEU CB C 42.175 0.000 . 479 46 46 LEU CD1 C 26.560 0.000 . 480 46 46 LEU CD2 C 22.643 0.000 . 481 46 46 LEU N N 116.008 0.000 . 482 47 47 ASN H H 7.992 0.000 . 483 47 47 ASN HA H 4.441 0.000 . 484 47 47 ASN HB2 H 3.246 0.000 . 485 47 47 ASN HB3 H 2.806 0.000 . 486 47 47 ASN C C 173.788 0.000 . 487 47 47 ASN CA C 54.804 0.000 . 488 47 47 ASN CB C 36.818 0.000 . 489 47 47 ASN N N 117.881 0.000 . 490 47 47 ASN ND2 N 111.600 0.000 . 491 48 48 LEU H H 8.517 0.000 . 492 48 48 LEU HA H 4.877 0.000 . 493 48 48 LEU HB2 H 1.259 0.000 . 494 48 48 LEU HB3 H 1.694 0.000 . 495 48 48 LEU HG H 1.528 0.000 . 496 48 48 LEU HD1 H 0.868 0.000 . 497 48 48 LEU HD2 H 0.710 0.000 . 498 48 48 LEU C C 176.505 0.000 . 499 48 48 LEU CA C 52.832 0.000 . 500 48 48 LEU CB C 47.919 0.000 . 501 48 48 LEU CG C 26.700 0.000 . 502 48 48 LEU CD1 C 27.824 0.000 . 503 48 48 LEU CD2 C 23.889 0.000 . 504 48 48 LEU N N 119.211 0.000 . 505 49 49 THR H H 8.694 0.000 . 506 49 49 THR HA H 4.648 0.000 . 507 49 49 THR HB H 4.691 0.000 . 508 49 49 THR HG2 H 1.296 0.000 . 509 49 49 THR C C 176.663 0.000 . 510 49 49 THR CA C 60.566 0.000 . 511 49 49 THR CB C 70.824 0.000 . 512 49 49 THR CG2 C 21.782 0.000 . 513 49 49 THR N N 109.223 0.000 . 514 50 50 GLU H H 9.184 0.000 . 515 50 50 GLU HA H 3.653 0.000 . 516 50 50 GLU HB2 H 1.935 0.000 . 517 50 50 GLU HB3 H 1.935 0.000 . 518 50 50 GLU HG2 H 2.286 0.000 . 519 50 50 GLU C C 178.500 0.000 . 520 50 50 GLU CA C 60.987 0.000 . 521 50 50 GLU CB C 29.932 0.000 . 522 50 50 GLU CG C 37.239 0.000 . 523 50 50 GLU N N 121.200 0.000 . 524 51 51 ARG H H 8.220 0.000 . 525 51 51 ARG HA H 4.003 0.000 . 526 51 51 ARG HB2 H 1.748 0.000 . 527 51 51 ARG HB3 H 1.748 0.000 . 528 51 51 ARG HG2 H 1.618 0.000 . 529 51 51 ARG HD2 H 3.186 0.000 . 530 51 51 ARG C C 177.979 0.000 . 531 51 51 ARG CA C 59.301 0.000 . 532 51 51 ARG CB C 30.073 0.000 . 533 51 51 ARG CG C 27.121 0.000 . 534 51 51 ARG CD C 43.422 0.000 . 535 51 51 ARG N N 119.168 0.000 . 536 52 52 GLN H H 8.029 0.000 . 537 52 52 GLN HA H 4.089 0.000 . 538 52 52 GLN HB2 H 2.018 0.000 . 539 52 52 GLN HB3 H 2.018 0.000 . 540 52 52 GLN HG2 H 2.631 0.000 . 541 52 52 GLN HG3 H 2.390 0.000 . 542 52 52 GLN C C 180.689 0.000 . 543 52 52 GLN CA C 59.863 0.000 . 544 52 52 GLN CB C 30.213 0.000 . 545 52 52 GLN CG C 35.272 0.000 . 546 52 52 GLN N N 117.548 0.000 . 547 53 53 VAL H H 8.004 0.000 . 548 53 53 VAL HA H 3.813 0.000 . 549 53 53 VAL HB H 2.153 0.000 . 550 53 53 VAL HG1 H 0.967 0.000 . 551 53 53 VAL HG2 H 0.908 0.000 . 552 53 53 VAL C C 176.662 0.000 . 553 53 53 VAL CA C 68.154 0.000 . 554 53 53 VAL CB C 32.602 0.000 . 555 53 53 VAL CG1 C 23.749 0.000 . 556 53 53 VAL CG2 C 22.766 0.000 . 557 53 53 VAL N N 121.408 0.000 . 558 54 54 LYS H H 8.527 0.000 . 559 54 54 LYS HA H 4.247 0.000 . 560 54 54 LYS HB2 H 1.869 0.000 . 561 54 54 LYS HB3 H 2.153 0.000 . 562 54 54 LYS HG2 H 1.336 0.000 . 563 54 54 LYS HG3 H 1.273 0.000 . 564 54 54 LYS HD2 H 1.685 0.000 . 565 54 54 LYS HE2 H 3.002 0.000 . 566 54 54 LYS C C 179.996 0.000 . 567 54 54 LYS CA C 60.004 0.000 . 568 54 54 LYS CB C 32.602 0.000 . 569 54 54 LYS CG C 24.733 0.000 . 570 54 54 LYS CD C 29.230 0.000 . 571 54 54 LYS CE C 42.158 0.000 . 572 54 54 LYS N N 121.266 0.000 . 573 55 55 ILE H H 8.748 0.000 . 574 55 55 ILE HA H 3.860 0.000 . 575 55 55 ILE HB H 1.953 0.000 . 576 55 55 ILE HG12 H 1.685 0.000 . 577 55 55 ILE HG13 H 1.346 0.000 . 578 55 55 ILE HG2 H 1.023 0.000 . 579 55 55 ILE HD1 H 0.867 0.000 . 580 55 55 ILE C C 177.548 0.000 . 581 55 55 ILE CA C 63.938 0.000 . 582 55 55 ILE CB C 38.223 0.000 . 583 55 55 ILE CG1 C 29.230 0.000 . 584 55 55 ILE CG2 C 17.426 0.000 . 585 55 55 ILE CD1 C 12.929 0.000 . 586 55 55 ILE N N 119.453 0.000 . 587 56 56 TRP H H 8.076 0.000 . 588 56 56 TRP HA H 3.907 0.000 . 589 56 56 TRP HB2 H 3.485 0.000 . 590 56 56 TRP HB3 H 3.252 0.000 . 591 56 56 TRP C C 180.094 0.000 . 592 56 56 TRP CA C 63.938 0.000 . 593 56 56 TRP CB C 29.370 0.000 . 594 56 56 TRP CD1 C 127.025 0.000 . 595 56 56 TRP CZ2 C 114.569 0.000 . 596 56 56 TRP CZ3 C 123.814 0.000 . 597 56 56 TRP N N 122.220 0.000 . 598 56 56 TRP NE1 N 128.878 0.000 . 599 57 57 PHE H H 8.859 0.000 . 600 57 57 PHE HA H 3.860 0.000 . 601 57 57 PHE HB2 H 3.284 0.000 . 602 57 57 PHE HB3 H 3.587 0.000 . 603 57 57 PHE HD1 H 7.817 0.000 . 604 57 57 PHE HD2 H 7.817 0.000 . 605 57 57 PHE C C 177.749 0.000 . 606 57 57 PHE CA C 63.938 0.000 . 607 57 57 PHE CB C 39.628 0.000 . 608 57 57 PHE N N 119.464 0.000 . 609 58 58 GLN H H 8.240 0.000 . 610 58 58 GLN HA H 4.003 0.000 . 611 58 58 GLN HB2 H 2.160 0.000 . 612 58 58 GLN HB3 H 2.292 0.000 . 613 58 58 GLN HG2 H 2.548 0.000 . 614 58 58 GLN C C 178.888 0.000 . 615 58 58 GLN CA C 59.301 0.000 . 616 58 58 GLN CB C 28.667 0.000 . 617 58 58 GLN CG C 33.867 0.000 . 618 58 58 GLN N N 118.649 0.000 . 619 58 58 GLN NE2 N 111.332 0.000 . 620 59 59 ASN H H 8.320 0.000 . 621 59 59 ASN HA H 4.317 0.000 . 622 59 59 ASN HB2 H 2.617 0.000 . 623 59 59 ASN HB3 H 2.425 0.000 . 624 59 59 ASN HD21 H 7.407 0.000 . 625 59 59 ASN HD22 H 6.885 0.000 . 626 59 59 ASN C C 177.504 0.000 . 627 59 59 ASN CA C 56.210 0.000 . 628 59 59 ASN CB C 37.801 0.000 . 629 59 59 ASN N N 118.104 0.000 . 630 59 59 ASN ND2 N 112.749 0.000 . 631 60 60 ARG H H 8.113 0.000 . 632 60 60 ARG HA H 3.396 0.000 . 633 60 60 ARG HB2 H 0.792 0.000 . 634 60 60 ARG HB3 H -0.237 0.000 . 635 60 60 ARG HD2 H 1.597 0.000 . 636 60 60 ARG C C 179.229 0.000 . 637 60 60 ARG CA C 56.631 0.000 . 638 60 60 ARG CB C 28.387 0.000 . 639 60 60 ARG CG C 24.171 0.000 . 640 60 60 ARG N N 122.957 0.000 . 641 61 61 ARG H H 7.902 0.000 . 642 61 61 ARG HA H 4.089 0.000 . 643 61 61 ARG HB2 H 1.851 0.000 . 644 61 61 ARG HB3 H 1.851 0.000 . 645 61 61 ARG HG2 H 1.617 0.000 . 646 61 61 ARG HG3 H 1.617 0.000 . 647 61 61 ARG HD2 H 3.186 0.000 . 648 61 61 ARG C C 178.883 0.000 . 649 61 61 ARG CA C 59.863 0.000 . 650 61 61 ARG CB C 30.915 0.000 . 651 61 61 ARG CG C 27.122 0.000 . 652 61 61 ARG CD C 43.422 0.000 . 653 61 61 ARG N N 117.860 0.000 . 654 62 62 MET H H 7.535 0.000 . 655 62 62 MET HA H 4.263 0.000 . 656 62 62 MET HB2 H 2.043 0.000 . 657 62 62 MET HB3 H 2.043 0.000 . 658 62 62 MET HG2 H 2.630 0.000 . 659 62 62 MET HG3 H 2.778 0.000 . 660 62 62 MET C C 177.644 0.000 . 661 62 62 MET CA C 57.474 0.000 . 662 62 62 MET CB C 30.494 0.000 . 663 62 62 MET CG C 32.180 0.000 . 664 62 62 MET N N 117.859 0.000 . 665 63 63 LYS H H 7.426 0.000 . 666 63 63 LYS HA H 4.132 0.000 . 667 63 63 LYS HB2 H 1.801 0.000 . 668 63 63 LYS HB3 H 1.671 0.000 . 669 63 63 LYS HG2 H 1.411 0.000 . 670 63 63 LYS HG3 H 1.411 0.000 . 671 63 63 LYS HD2 H 1.685 0.000 . 672 63 63 LYS HE2 H 3.002 0.000 . 673 63 63 LYS C C 177.090 0.000 . 674 63 63 LYS CA C 57.615 0.000 . 675 63 63 LYS CB C 33.024 0.000 . 676 63 63 LYS CG C 24.873 0.000 . 677 63 63 LYS CD C 29.230 0.000 . 678 63 63 LYS CE C 42.157 0.000 . 679 63 63 LYS N N 118.415 0.000 . 680 64 64 MET H H 7.538 0.000 . 681 64 64 MET HA H 4.271 0.000 . 682 64 64 MET HB2 H 2.160 0.000 . 683 64 64 MET HG2 H 2.740 0.000 . 684 64 64 MET C C 176.223 0.000 . 685 64 64 MET CA C 57.632 0.000 . 686 64 64 MET CG C 31.899 0.000 . 687 64 64 MET N N 117.987 0.000 . 688 65 65 LYS H H 7.930 0.000 . 689 65 65 LYS HA H 4.299 0.000 . 690 65 65 LYS HB2 H 1.801 0.000 . 691 65 65 LYS HB3 H 1.801 0.000 . 692 65 65 LYS HG2 H 1.459 0.000 . 693 65 65 LYS HD2 H 1.685 0.000 . 694 65 65 LYS HE2 H 2.747 0.000 . 695 65 65 LYS C C 175.950 0.000 . 696 65 65 LYS CA C 57.632 0.000 . 697 65 65 LYS CB C 33.024 0.000 . 698 65 65 LYS CG C 24.873 0.000 . 699 65 65 LYS CD C 29.230 0.000 . 700 65 65 LYS CE C 38.925 0.000 . 701 65 65 LYS N N 120.643 0.000 . 702 66 66 LYS H H 8.172 0.000 . 703 66 66 LYS HA H 4.271 0.000 . 704 66 66 LYS HB2 H 1.792 0.000 . 705 66 66 LYS HB3 H 1.792 0.000 . 706 66 66 LYS HG2 H 1.445 0.000 . 707 66 66 LYS HG3 H 1.445 0.000 . 708 66 66 LYS C C 176.302 0.000 . 709 66 66 LYS CA C 57.491 0.000 . 710 66 66 LYS CB C 32.620 0.000 . 711 66 66 LYS CG C 24.891 0.000 . 712 66 66 LYS N N 122.089 0.000 . 713 67 67 MET H H 8.056 0.000 . 714 67 67 MET HA H 4.765 0.000 . 715 67 67 MET C C 175.047 0.000 . 716 67 67 MET N N 119.918 0.000 . 717 68 68 ASN H H 8.382 0.000 . 718 68 68 ASN C C 179.337 0.000 . 719 68 68 ASN N N 122.034 0.000 . stop_ save_