data_10291 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the homeobox domain of human homeobox protein TGIF2LX ; _BMRB_accession_number 10291 _BMRB_flat_file_name bmr10291.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 Tochio N. . . 2 Ohnishi S. . . 3 Sasagawa A. . . 4 Saito K. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 432 "13C chemical shifts" 318 "15N chemical shifts" 68 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 'The solution structure of the homeobox domain of human homeobox protein TGIF2LX' _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 Tochio N. . . 2 Ohnishi S. . . 3 Sasagawa A. . . 4 Saito K. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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 'Homeobox protein TGIF2LX' _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 83 _Mol_residue_sequence ; GSSGSSGKKRKGNLPAESVK ILRDWMYKHRFKAYPSEEEK QMLSEKTNLSLLQISNWFIN ARRRILPDMLQQRRNDPSGP SSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 LYS 10 ARG 11 LYS 12 GLY 13 ASN 14 LEU 15 PRO 16 ALA 17 GLU 18 SER 19 VAL 20 LYS 21 ILE 22 LEU 23 ARG 24 ASP 25 TRP 26 MET 27 TYR 28 LYS 29 HIS 30 ARG 31 PHE 32 LYS 33 ALA 34 TYR 35 PRO 36 SER 37 GLU 38 GLU 39 GLU 40 LYS 41 GLN 42 MET 43 LEU 44 SER 45 GLU 46 LYS 47 THR 48 ASN 49 LEU 50 SER 51 LEU 52 LEU 53 GLN 54 ILE 55 SER 56 ASN 57 TRP 58 PHE 59 ILE 60 ASN 61 ALA 62 ARG 63 ARG 64 ARG 65 ILE 66 LEU 67 PRO 68 ASP 69 MET 70 LEU 71 GLN 72 GLN 73 ARG 74 ARG 75 ASN 76 ASP 77 PRO 78 SER 79 GLY 80 PRO 81 SER 82 SER 83 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DMN "The Solution Structure Of The Homeobox Domain Of Human Homeobox Protein Tgif2lx" 100.00 83 100.00 100.00 3.10e-52 DBJ BAF85298 "unnamed protein product [Homo sapiens]" 84.34 185 98.57 100.00 1.29e-42 DBJ BAG74238 "TGFB-induced factor homeobox 2-like, X-linked [synthetic construct]" 84.34 241 100.00 100.00 7.04e-43 DBJ BAG74239 "TGFB-induced factor homeobox 2-like, Y-linked [synthetic construct]" 84.34 185 98.57 100.00 1.29e-42 EMBL CAC87895 "TGIF-like on the X [Pan troglodytes]" 84.34 241 97.14 98.57 7.80e-42 EMBL CAC87896 "TGIF-like on the X [Gorilla gorilla]" 84.34 241 100.00 100.00 8.63e-43 EMBL CAD20750 "putative transcription factor [Homo sapiens]" 84.34 241 100.00 100.00 7.04e-43 EMBL CAD20751 "TG-interacting factor-like [Homo sapiens]" 84.34 185 98.57 100.00 1.29e-42 GB AAI01145 "TGIF2LX protein, partial [Homo sapiens]" 84.34 223 100.00 100.00 6.92e-43 GB AAI01146 "TGIF2LX protein, partial [Homo sapiens]" 84.34 223 100.00 100.00 6.92e-43 GB AAI17399 "TGFB-induced factor homeobox 2-like, X-linked [Homo sapiens]" 84.34 241 100.00 100.00 7.04e-43 GB AAI17401 "TGFB-induced factor homeobox 2-like, X-linked [Homo sapiens]" 84.34 241 100.00 100.00 7.04e-43 GB AAI28605 "TGFB-induced factor homeobox 2-like, Y-linked [Homo sapiens]" 84.34 185 98.57 100.00 1.29e-42 REF NP_001009067 "homeobox protein TGIF2LX [Pan troglodytes]" 84.34 241 97.14 98.57 7.80e-42 REF NP_001266647 "TGFB-induced factor homeobox 2-like, X-linked [Gorilla gorilla]" 84.34 241 100.00 100.00 8.63e-43 REF NP_620410 "homeobox protein TGIF2LX [Homo sapiens]" 84.34 241 100.00 100.00 7.04e-43 REF NP_631960 "homeobox protein TGIF2LY [Homo sapiens]" 84.34 185 98.57 100.00 1.29e-42 REF XP_003810418 "PREDICTED: homeobox protein TGIF2LX [Pan paniscus]" 84.34 241 98.57 98.57 5.78e-42 SP A1YGI6 "RecName: Full=Homeobox protein TGIF2LX; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" 84.34 241 98.57 98.57 5.78e-42 SP Q8IUE0 "RecName: Full=Homeobox protein TGIF2LY; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" 84.34 185 98.57 100.00 1.29e-42 SP Q8IUE1 "RecName: Full=Homeobox protein TGIF2LX; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" 84.34 241 100.00 100.00 7.04e-43 SP Q8MIB7 "RecName: Full=Homeobox protein TGIF2LX; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" 84.34 241 98.57 98.57 4.81e-42 SP Q8MIE9 "RecName: Full=Homeobox protein TGIF2LX; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" 84.34 241 100.00 100.00 8.63e-43 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 P050530-26 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.1 mM '[U-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 20031121 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 0.955 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 13 13 ASN HA H 4.787 0.030 1 2 13 13 ASN HB2 H 2.840 0.030 2 3 13 13 ASN HB3 H 2.744 0.030 2 4 13 13 ASN HD21 H 7.591 0.030 2 5 13 13 ASN HD22 H 6.885 0.030 2 6 13 13 ASN CA C 53.148 0.300 1 7 13 13 ASN CB C 39.378 0.300 1 8 13 13 ASN ND2 N 112.863 0.300 1 9 14 14 LEU H H 8.418 0.030 1 10 14 14 LEU HA H 4.654 0.030 1 11 14 14 LEU HB2 H 1.233 0.030 2 12 14 14 LEU HB3 H 1.624 0.030 2 13 14 14 LEU HD1 H 0.912 0.030 1 14 14 14 LEU HD2 H 0.899 0.030 1 15 14 14 LEU HG H 1.804 0.030 1 16 14 14 LEU CA C 52.999 0.300 1 17 14 14 LEU CB C 41.919 0.300 1 18 14 14 LEU CD1 C 25.546 0.300 2 19 14 14 LEU CD2 C 23.609 0.300 2 20 14 14 LEU CG C 27.271 0.300 1 21 14 14 LEU N N 122.671 0.300 1 22 15 15 PRO HA H 4.460 0.030 1 23 15 15 PRO HB2 H 1.997 0.030 2 24 15 15 PRO HB3 H 2.534 0.030 2 25 15 15 PRO HD2 H 4.006 0.030 2 26 15 15 PRO HD3 H 3.479 0.030 2 27 15 15 PRO HG2 H 2.216 0.030 2 28 15 15 PRO HG3 H 2.079 0.030 2 29 15 15 PRO C C 178.156 0.300 1 30 15 15 PRO CA C 63.101 0.300 1 31 15 15 PRO CB C 32.304 0.300 1 32 15 15 PRO CD C 50.904 0.300 1 33 15 15 PRO CG C 27.931 0.300 1 34 16 16 ALA H H 8.973 0.030 1 35 16 16 ALA HA H 4.021 0.030 1 36 16 16 ALA HB H 1.494 0.030 1 37 16 16 ALA C C 180.695 0.300 1 38 16 16 ALA CA C 55.642 0.300 1 39 16 16 ALA CB C 18.552 0.300 1 40 16 16 ALA N N 128.311 0.300 1 41 17 17 GLU H H 9.558 0.030 1 42 17 17 GLU HA H 4.065 0.030 1 43 17 17 GLU HB2 H 2.064 0.030 1 44 17 17 GLU HB3 H 2.064 0.030 1 45 17 17 GLU HG2 H 2.387 0.030 1 46 17 17 GLU HG3 H 2.387 0.030 1 47 17 17 GLU C C 178.886 0.300 1 48 17 17 GLU CA C 59.400 0.300 1 49 17 17 GLU CB C 28.742 0.300 1 50 17 17 GLU CG C 36.227 0.300 1 51 17 17 GLU N N 117.113 0.300 1 52 18 18 SER H H 7.263 0.030 1 53 18 18 SER HA H 4.180 0.030 1 54 18 18 SER HB2 H 3.919 0.030 2 55 18 18 SER HB3 H 3.761 0.030 2 56 18 18 SER C C 174.951 0.300 1 57 18 18 SER CA C 61.969 0.300 1 58 18 18 SER CB C 62.554 0.300 1 59 18 18 SER N N 114.932 0.300 1 60 19 19 VAL H H 7.620 0.030 1 61 19 19 VAL HA H 3.011 0.030 1 62 19 19 VAL HB H 2.001 0.030 1 63 19 19 VAL HG1 H 0.899 0.030 1 64 19 19 VAL HG2 H 0.992 0.030 1 65 19 19 VAL C C 176.953 0.300 1 66 19 19 VAL CA C 66.479 0.300 1 67 19 19 VAL CB C 31.569 0.300 1 68 19 19 VAL CG1 C 23.584 0.300 2 69 19 19 VAL CG2 C 21.834 0.300 2 70 19 19 VAL N N 121.086 0.300 1 71 20 20 LYS H H 7.745 0.030 1 72 20 20 LYS HA H 3.884 0.030 1 73 20 20 LYS HB2 H 1.874 0.030 1 74 20 20 LYS HB3 H 1.874 0.030 1 75 20 20 LYS HD2 H 1.701 0.030 1 76 20 20 LYS HD3 H 1.701 0.030 1 77 20 20 LYS HE2 H 3.012 0.030 1 78 20 20 LYS HE3 H 3.012 0.030 1 79 20 20 LYS HG2 H 1.496 0.030 2 80 20 20 LYS HG3 H 1.387 0.030 2 81 20 20 LYS C C 178.150 0.300 1 82 20 20 LYS CA C 59.984 0.300 1 83 20 20 LYS CB C 32.351 0.300 1 84 20 20 LYS CD C 29.211 0.300 1 85 20 20 LYS CE C 42.255 0.300 1 86 20 20 LYS CG C 25.138 0.300 1 87 20 20 LYS N N 119.366 0.300 1 88 21 21 ILE H H 6.943 0.030 1 89 21 21 ILE HA H 3.783 0.030 1 90 21 21 ILE HB H 1.851 0.030 1 91 21 21 ILE HD1 H 0.845 0.030 1 92 21 21 ILE HG12 H 1.196 0.030 2 93 21 21 ILE HG13 H 1.775 0.030 2 94 21 21 ILE HG2 H 0.786 0.030 1 95 21 21 ILE C C 178.996 0.300 1 96 21 21 ILE CA C 64.642 0.300 1 97 21 21 ILE CB C 38.014 0.300 1 98 21 21 ILE CD1 C 13.676 0.300 1 99 21 21 ILE CG1 C 29.289 0.300 1 100 21 21 ILE CG2 C 17.137 0.300 1 101 21 21 ILE N N 118.163 0.300 1 102 22 22 LEU H H 7.267 0.030 1 103 22 22 LEU HA H 3.748 0.030 1 104 22 22 LEU HB2 H -0.090 0.030 2 105 22 22 LEU HB3 H 0.577 0.030 2 106 22 22 LEU HD1 H -0.268 0.030 1 107 22 22 LEU HD2 H 0.485 0.030 1 108 22 22 LEU HG H 1.338 0.030 1 109 22 22 LEU C C 178.289 0.300 1 110 22 22 LEU CA C 58.092 0.300 1 111 22 22 LEU CB C 38.551 0.300 1 112 22 22 LEU CD1 C 23.886 0.300 2 113 22 22 LEU CD2 C 23.549 0.300 2 114 22 22 LEU CG C 25.558 0.300 1 115 22 22 LEU N N 120.609 0.300 1 116 23 23 ARG H H 8.676 0.030 1 117 23 23 ARG HA H 4.030 0.030 1 118 23 23 ARG HB2 H 1.959 0.030 1 119 23 23 ARG HB3 H 1.959 0.030 1 120 23 23 ARG HD2 H 3.342 0.030 2 121 23 23 ARG HD3 H 3.266 0.030 2 122 23 23 ARG HG2 H 1.705 0.030 2 123 23 23 ARG HG3 H 1.953 0.030 2 124 23 23 ARG C C 178.861 0.300 1 125 23 23 ARG CA C 60.404 0.300 1 126 23 23 ARG CB C 30.351 0.300 1 127 23 23 ARG CD C 43.738 0.300 1 128 23 23 ARG CG C 28.946 0.300 1 129 23 23 ARG N N 119.148 0.300 1 130 24 24 ASP H H 8.515 0.030 1 131 24 24 ASP HA H 4.519 0.030 1 132 24 24 ASP HB2 H 2.895 0.030 2 133 24 24 ASP HB3 H 2.707 0.030 2 134 24 24 ASP C C 178.759 0.300 1 135 24 24 ASP CA C 57.556 0.300 1 136 24 24 ASP CB C 40.569 0.300 1 137 24 24 ASP N N 120.027 0.300 1 138 25 25 TRP H H 8.158 0.030 1 139 25 25 TRP HA H 4.181 0.030 1 140 25 25 TRP HB2 H 3.756 0.030 2 141 25 25 TRP HB3 H 3.400 0.030 2 142 25 25 TRP HD1 H 7.349 0.030 1 143 25 25 TRP HE1 H 10.047 0.030 1 144 25 25 TRP HE3 H 7.410 0.030 1 145 25 25 TRP HH2 H 6.488 0.030 1 146 25 25 TRP HZ2 H 6.927 0.030 1 147 25 25 TRP HZ3 H 6.673 0.030 1 148 25 25 TRP C C 179.946 0.300 1 149 25 25 TRP CA C 63.346 0.300 1 150 25 25 TRP CB C 29.433 0.300 1 151 25 25 TRP CD1 C 127.307 0.300 1 152 25 25 TRP CE3 C 120.761 0.300 1 153 25 25 TRP CH2 C 123.226 0.300 1 154 25 25 TRP CZ2 C 113.896 0.300 1 155 25 25 TRP CZ3 C 120.823 0.300 1 156 25 25 TRP N N 121.350 0.300 1 157 25 25 TRP NE1 N 129.880 0.300 1 158 26 26 MET H H 8.977 0.030 1 159 26 26 MET HA H 4.076 0.030 1 160 26 26 MET HB2 H 2.544 0.030 1 161 26 26 MET HB3 H 2.544 0.030 1 162 26 26 MET HE H 2.144 0.030 1 163 26 26 MET HG2 H 2.765 0.030 1 164 26 26 MET HG3 H 2.765 0.030 1 165 26 26 MET C C 177.371 0.300 1 166 26 26 MET CA C 60.454 0.300 1 167 26 26 MET CB C 33.567 0.300 1 168 26 26 MET CE C 18.688 0.300 1 169 26 26 MET CG C 33.134 0.300 1 170 26 26 MET N N 119.977 0.300 1 171 27 27 TYR H H 8.604 0.030 1 172 27 27 TYR HA H 4.138 0.030 1 173 27 27 TYR HB2 H 3.204 0.030 2 174 27 27 TYR HB3 H 3.096 0.030 2 175 27 27 TYR HD1 H 7.140 0.030 1 176 27 27 TYR HD2 H 7.140 0.030 1 177 27 27 TYR HE1 H 6.812 0.030 1 178 27 27 TYR HE2 H 6.812 0.030 1 179 27 27 TYR C C 178.901 0.300 1 180 27 27 TYR CA C 61.846 0.300 1 181 27 27 TYR CB C 38.165 0.300 1 182 27 27 TYR CD1 C 132.800 0.300 1 183 27 27 TYR CD2 C 132.800 0.300 1 184 27 27 TYR CE1 C 117.976 0.300 1 185 27 27 TYR CE2 C 117.976 0.300 1 186 27 27 TYR N N 117.797 0.300 1 187 28 28 LYS H H 7.867 0.030 1 188 28 28 LYS HA H 3.797 0.030 1 189 28 28 LYS HB2 H 1.666 0.030 2 190 28 28 LYS HB3 H 1.486 0.030 2 191 28 28 LYS HD2 H 1.567 0.030 1 192 28 28 LYS HD3 H 1.567 0.030 1 193 28 28 LYS HE2 H 2.933 0.030 1 194 28 28 LYS HE3 H 2.933 0.030 1 195 28 28 LYS HG2 H 1.076 0.030 2 196 28 28 LYS HG3 H 1.377 0.030 2 197 28 28 LYS C C 176.858 0.300 1 198 28 28 LYS CA C 58.174 0.300 1 199 28 28 LYS CB C 32.516 0.300 1 200 28 28 LYS CD C 29.070 0.300 1 201 28 28 LYS CE C 42.187 0.300 1 202 28 28 LYS CG C 25.624 0.300 1 203 28 28 LYS N N 118.982 0.300 1 204 29 29 HIS H H 7.443 0.030 1 205 29 29 HIS HA H 4.386 0.030 1 206 29 29 HIS HB2 H 2.770 0.030 2 207 29 29 HIS HB3 H 1.609 0.030 2 208 29 29 HIS HD2 H 6.378 0.030 1 209 29 29 HIS HE1 H 7.711 0.030 1 210 29 29 HIS C C 176.085 0.300 1 211 29 29 HIS CA C 55.213 0.300 1 212 29 29 HIS CB C 27.085 0.300 1 213 29 29 HIS CD2 C 121.005 0.300 1 214 29 29 HIS CE1 C 135.672 0.300 1 215 29 29 HIS N N 117.138 0.300 1 216 30 30 ARG H H 6.921 0.030 1 217 30 30 ARG HA H 3.898 0.030 1 218 30 30 ARG HB2 H 1.672 0.030 2 219 30 30 ARG HB3 H 1.497 0.030 2 220 30 30 ARG HD2 H 2.666 0.030 1 221 30 30 ARG HD3 H 2.666 0.030 1 222 30 30 ARG HG2 H 1.134 0.030 2 223 30 30 ARG HG3 H 0.579 0.030 2 224 30 30 ARG C C 175.808 0.300 1 225 30 30 ARG CA C 58.609 0.300 1 226 30 30 ARG CB C 28.739 0.300 1 227 30 30 ARG CD C 43.368 0.300 1 228 30 30 ARG CG C 25.218 0.300 1 229 30 30 ARG N N 117.911 0.300 1 230 31 31 PHE H H 7.819 0.030 1 231 31 31 PHE HA H 4.533 0.030 1 232 31 31 PHE HB2 H 2.968 0.030 2 233 31 31 PHE HB3 H 3.344 0.030 2 234 31 31 PHE HD1 H 7.232 0.030 1 235 31 31 PHE HD2 H 7.232 0.030 1 236 31 31 PHE HE1 H 7.314 0.030 1 237 31 31 PHE HE2 H 7.314 0.030 1 238 31 31 PHE HZ H 7.278 0.030 1 239 31 31 PHE C C 175.577 0.300 1 240 31 31 PHE CA C 58.029 0.300 1 241 31 31 PHE CB C 37.792 0.300 1 242 31 31 PHE CD1 C 131.579 0.300 1 243 31 31 PHE CD2 C 131.579 0.300 1 244 31 31 PHE CE1 C 131.538 0.300 1 245 31 31 PHE CE2 C 131.538 0.300 1 246 31 31 PHE CZ C 129.702 0.300 1 247 31 31 PHE N N 115.408 0.300 1 248 32 32 LYS H H 7.858 0.030 1 249 32 32 LYS HA H 4.487 0.030 1 250 32 32 LYS HB2 H 1.924 0.030 2 251 32 32 LYS HB3 H 1.823 0.030 2 252 32 32 LYS HD2 H 1.820 0.030 2 253 32 32 LYS HE2 H 3.100 0.030 1 254 32 32 LYS HE3 H 3.100 0.030 1 255 32 32 LYS HG2 H 1.477 0.030 1 256 32 32 LYS HG3 H 1.477 0.030 1 257 32 32 LYS C C 175.557 0.300 1 258 32 32 LYS CA C 56.329 0.300 1 259 32 32 LYS CB C 32.743 0.300 1 260 32 32 LYS CD C 29.732 0.300 1 261 32 32 LYS CE C 42.104 0.300 1 262 32 32 LYS CG C 25.139 0.300 1 263 32 32 LYS N N 122.453 0.300 1 264 33 33 ALA H H 8.643 0.030 1 265 33 33 ALA HA H 4.403 0.030 1 266 33 33 ALA HB H 1.349 0.030 1 267 33 33 ALA C C 176.273 0.300 1 268 33 33 ALA CA C 53.579 0.300 1 269 33 33 ALA CB C 18.653 0.300 1 270 33 33 ALA N N 127.853 0.300 1 271 34 34 TYR H H 7.878 0.030 1 272 34 34 TYR HA H 4.686 0.030 1 273 34 34 TYR HB2 H 2.698 0.030 2 274 34 34 TYR HB3 H 2.949 0.030 2 275 34 34 TYR HD1 H 7.054 0.030 1 276 34 34 TYR HD2 H 7.054 0.030 1 277 34 34 TYR HE1 H 6.815 0.030 1 278 34 34 TYR HE2 H 6.815 0.030 1 279 34 34 TYR C C 173.133 0.300 1 280 34 34 TYR CA C 54.778 0.300 1 281 34 34 TYR CB C 39.619 0.300 1 282 34 34 TYR CD1 C 133.576 0.300 1 283 34 34 TYR CD2 C 133.576 0.300 1 284 34 34 TYR CE1 C 117.938 0.300 1 285 34 34 TYR CE2 C 117.938 0.300 1 286 34 34 TYR N N 116.539 0.300 1 287 35 35 PRO HA H 4.526 0.030 1 288 35 35 PRO HB2 H 0.816 0.030 2 289 35 35 PRO HB3 H 1.316 0.030 2 290 35 35 PRO HD2 H 3.004 0.030 2 291 35 35 PRO HD3 H 2.271 0.030 2 292 35 35 PRO HG2 H -0.051 0.030 2 293 35 35 PRO HG3 H 0.817 0.030 2 294 35 35 PRO C C 176.837 0.300 1 295 35 35 PRO CA C 61.864 0.300 1 296 35 35 PRO CB C 30.904 0.300 1 297 35 35 PRO CD C 49.909 0.300 1 298 35 35 PRO CG C 26.036 0.300 1 299 36 36 SER H H 9.634 0.030 1 300 36 36 SER HA H 4.518 0.030 1 301 36 36 SER HB2 H 4.099 0.030 2 302 36 36 SER HB3 H 4.479 0.030 2 303 36 36 SER C C 175.001 0.300 1 304 36 36 SER CA C 57.129 0.300 1 305 36 36 SER CB C 65.374 0.300 1 306 36 36 SER N N 119.984 0.300 1 307 37 37 GLU H H 9.091 0.030 1 308 37 37 GLU HA H 3.884 0.030 1 309 37 37 GLU HB2 H 2.106 0.030 2 310 37 37 GLU HB3 H 2.023 0.030 2 311 37 37 GLU HG2 H 2.399 0.030 1 312 37 37 GLU HG3 H 2.399 0.030 1 313 37 37 GLU C C 179.347 0.300 1 314 37 37 GLU CA C 60.454 0.300 1 315 37 37 GLU CB C 28.623 0.300 1 316 37 37 GLU CG C 36.336 0.300 1 317 37 37 GLU N N 120.748 0.300 1 318 38 38 GLU H H 8.760 0.030 1 319 38 38 GLU HA H 4.048 0.030 1 320 38 38 GLU HB2 H 2.064 0.030 2 321 38 38 GLU HB3 H 1.952 0.030 2 322 38 38 GLU HG2 H 2.377 0.030 2 323 38 38 GLU HG3 H 2.301 0.030 2 324 38 38 GLU C C 179.975 0.300 1 325 38 38 GLU CA C 60.243 0.300 1 326 38 38 GLU CB C 29.117 0.300 1 327 38 38 GLU CG C 36.915 0.300 1 328 38 38 GLU N N 119.272 0.300 1 329 39 39 GLU H H 7.856 0.030 1 330 39 39 GLU HA H 3.976 0.030 1 331 39 39 GLU HB2 H 1.473 0.030 2 332 39 39 GLU HB3 H 2.204 0.030 2 333 39 39 GLU HG2 H 2.402 0.030 1 334 39 39 GLU HG3 H 2.402 0.030 1 335 39 39 GLU C C 178.912 0.300 1 336 39 39 GLU CA C 59.131 0.300 1 337 39 39 GLU CB C 29.612 0.300 1 338 39 39 GLU CG C 37.755 0.300 1 339 39 39 GLU N N 121.658 0.300 1 340 40 40 LYS H H 8.653 0.030 1 341 40 40 LYS HA H 3.508 0.030 1 342 40 40 LYS HB2 H 1.586 0.030 2 343 40 40 LYS HB3 H 1.907 0.030 2 344 40 40 LYS HD2 H 1.580 0.030 1 345 40 40 LYS HD3 H 1.580 0.030 1 346 40 40 LYS HE2 H 2.745 0.030 2 347 40 40 LYS HE3 H 2.628 0.030 2 348 40 40 LYS HG2 H 1.398 0.030 2 349 40 40 LYS HG3 H 0.837 0.030 2 350 40 40 LYS C C 177.974 0.300 1 351 40 40 LYS CA C 60.948 0.300 1 352 40 40 LYS CB C 32.714 0.300 1 353 40 40 LYS CD C 29.974 0.300 1 354 40 40 LYS CE C 41.866 0.300 1 355 40 40 LYS CG C 26.778 0.300 1 356 40 40 LYS N N 119.152 0.300 1 357 41 41 GLN H H 7.876 0.030 1 358 41 41 GLN HA H 3.911 0.030 1 359 41 41 GLN HB2 H 2.237 0.030 2 360 41 41 GLN HB3 H 2.149 0.030 2 361 41 41 GLN HE21 H 7.800 0.030 2 362 41 41 GLN HE22 H 6.761 0.030 2 363 41 41 GLN HG2 H 2.460 0.030 2 364 41 41 GLN HG3 H 2.422 0.030 2 365 41 41 GLN C C 178.352 0.300 1 366 41 41 GLN CA C 58.973 0.300 1 367 41 41 GLN CB C 27.552 0.300 1 368 41 41 GLN CG C 33.116 0.300 1 369 41 41 GLN N N 118.910 0.300 1 370 41 41 GLN NE2 N 112.434 0.300 1 371 42 42 MET H H 7.771 0.030 1 372 42 42 MET HA H 4.158 0.030 1 373 42 42 MET HB2 H 2.274 0.030 2 374 42 42 MET HB3 H 2.234 0.030 2 375 42 42 MET HE H 2.144 0.030 1 376 42 42 MET HG2 H 2.825 0.030 2 377 42 42 MET HG3 H 2.554 0.030 2 378 42 42 MET C C 179.310 0.300 1 379 42 42 MET CA C 59.079 0.300 1 380 42 42 MET CB C 31.023 0.300 1 381 42 42 MET CE C 16.720 0.300 1 382 42 42 MET CG C 31.593 0.300 1 383 42 42 MET N N 121.131 0.300 1 384 43 43 LEU H H 8.400 0.030 1 385 43 43 LEU HA H 3.888 0.030 1 386 43 43 LEU HB2 H 1.812 0.030 2 387 43 43 LEU HB3 H 0.970 0.030 2 388 43 43 LEU HD1 H -0.047 0.030 1 389 43 43 LEU HD2 H 0.619 0.030 1 390 43 43 LEU HG H 1.474 0.030 1 391 43 43 LEU C C 180.721 0.300 1 392 43 43 LEU CA C 57.916 0.300 1 393 43 43 LEU CB C 42.080 0.300 1 394 43 43 LEU CD1 C 24.059 0.300 2 395 43 43 LEU CD2 C 21.916 0.300 2 396 43 43 LEU CG C 26.423 0.300 1 397 43 43 LEU N N 120.124 0.300 1 398 44 44 SER H H 8.658 0.030 1 399 44 44 SER HA H 4.088 0.030 1 400 44 44 SER HB2 H 4.073 0.030 2 401 44 44 SER HB3 H 3.908 0.030 2 402 44 44 SER C C 176.859 0.300 1 403 44 44 SER CA C 61.371 0.300 1 404 44 44 SER CB C 63.314 0.300 1 405 44 44 SER N N 119.795 0.300 1 406 45 45 GLU H H 7.905 0.030 1 407 45 45 GLU HA H 4.094 0.030 1 408 45 45 GLU HB2 H 2.236 0.030 2 409 45 45 GLU HB3 H 2.157 0.030 2 410 45 45 GLU HG2 H 2.508 0.030 2 411 45 45 GLU HG3 H 2.286 0.030 2 412 45 45 GLU C C 179.095 0.300 1 413 45 45 GLU CA C 59.255 0.300 1 414 45 45 GLU CB C 29.200 0.300 1 415 45 45 GLU CG C 36.419 0.300 1 416 45 45 GLU N N 120.609 0.300 1 417 46 46 LYS H H 7.837 0.030 1 418 46 46 LYS HA H 4.231 0.030 1 419 46 46 LYS HB2 H 1.922 0.030 1 420 46 46 LYS HB3 H 1.922 0.030 1 421 46 46 LYS HD2 H 1.686 0.030 2 422 46 46 LYS HE2 H 3.034 0.030 2 423 46 46 LYS HG2 H 1.686 0.030 2 424 46 46 LYS HG3 H 1.594 0.030 2 425 46 46 LYS C C 177.964 0.300 1 426 46 46 LYS CA C 58.278 0.300 1 427 46 46 LYS CB C 34.110 0.300 1 428 46 46 LYS CD C 29.140 0.300 1 429 46 46 LYS CE C 42.148 0.300 1 430 46 46 LYS CG C 25.459 0.300 1 431 46 46 LYS N N 115.471 0.300 1 432 47 47 THR H H 7.763 0.030 1 433 47 47 THR HA H 4.271 0.030 1 434 47 47 THR HB H 4.097 0.030 1 435 47 47 THR HG2 H 1.204 0.030 1 436 47 47 THR C C 175.472 0.300 1 437 47 47 THR CA C 62.429 0.300 1 438 47 47 THR CB C 71.966 0.300 1 439 47 47 THR CG2 C 21.999 0.300 1 440 47 47 THR N N 104.286 0.300 1 441 48 48 ASN H H 8.169 0.030 1 442 48 48 ASN HA H 4.437 0.030 1 443 48 48 ASN HB2 H 2.901 0.030 2 444 48 48 ASN HB3 H 3.145 0.030 2 445 48 48 ASN HD21 H 7.494 0.030 2 446 48 48 ASN HD22 H 6.818 0.030 2 447 48 48 ASN C C 173.874 0.300 1 448 48 48 ASN CA C 55.377 0.300 1 449 48 48 ASN CB C 37.770 0.300 1 450 48 48 ASN N N 117.458 0.300 1 451 48 48 ASN ND2 N 112.461 0.300 1 452 49 49 LEU H H 7.532 0.030 1 453 49 49 LEU HA H 4.733 0.030 1 454 49 49 LEU HB2 H 1.343 0.030 2 455 49 49 LEU HB3 H 1.675 0.030 2 456 49 49 LEU HD1 H 0.651 0.030 1 457 49 49 LEU HD2 H 0.857 0.030 1 458 49 49 LEU HG H 1.540 0.030 1 459 49 49 LEU C C 176.625 0.300 1 460 49 49 LEU CA C 53.226 0.300 1 461 49 49 LEU CB C 44.114 0.300 1 462 49 49 LEU CD1 C 26.531 0.300 2 463 49 49 LEU CD2 C 23.317 0.300 2 464 49 49 LEU CG C 26.615 0.300 1 465 49 49 LEU N N 118.220 0.300 1 466 50 50 SER H H 9.140 0.030 1 467 50 50 SER HA H 4.475 0.030 1 468 50 50 SER HB2 H 4.022 0.030 2 469 50 50 SER HB3 H 4.418 0.030 2 470 50 50 SER C C 174.907 0.300 1 471 50 50 SER CA C 56.964 0.300 1 472 50 50 SER CB C 65.372 0.300 1 473 50 50 SER N N 117.569 0.300 1 474 51 51 LEU H H 8.756 0.030 1 475 51 51 LEU HA H 3.874 0.030 1 476 51 51 LEU HB2 H 1.594 0.030 2 477 51 51 LEU HB3 H 1.776 0.030 2 478 51 51 LEU HD1 H 0.968 0.030 1 479 51 51 LEU HD2 H 0.835 0.030 1 480 51 51 LEU HG H 1.781 0.030 1 481 51 51 LEU C C 179.910 0.300 1 482 51 51 LEU CA C 58.916 0.300 1 483 51 51 LEU CB C 41.148 0.300 1 484 51 51 LEU CD1 C 25.077 0.300 2 485 51 51 LEU CD2 C 23.541 0.300 2 486 51 51 LEU CG C 27.774 0.300 1 487 51 51 LEU N N 120.905 0.300 1 488 52 52 LEU H H 8.146 0.030 1 489 52 52 LEU HA H 4.179 0.030 1 490 52 52 LEU HB2 H 1.626 0.030 1 491 52 52 LEU HB3 H 1.626 0.030 1 492 52 52 LEU HD1 H 0.959 0.030 1 493 52 52 LEU HD2 H 0.910 0.030 1 494 52 52 LEU HG H 1.615 0.030 1 495 52 52 LEU C C 178.936 0.300 1 496 52 52 LEU CA C 58.162 0.300 1 497 52 52 LEU CB C 42.137 0.300 1 498 52 52 LEU CD1 C 23.870 0.300 2 499 52 52 LEU CD2 C 24.883 0.300 2 500 52 52 LEU CG C 26.941 0.300 1 501 52 52 LEU N N 120.685 0.300 1 502 53 53 GLN H H 7.924 0.030 1 503 53 53 GLN HA H 4.102 0.030 1 504 53 53 GLN HB2 H 1.837 0.030 2 505 53 53 GLN HB3 H 2.552 0.030 2 506 53 53 GLN HE21 H 7.663 0.030 2 507 53 53 GLN HE22 H 7.012 0.030 2 508 53 53 GLN HG2 H 2.487 0.030 1 509 53 53 GLN HG3 H 2.487 0.030 1 510 53 53 GLN C C 180.308 0.300 1 511 53 53 GLN CA C 59.326 0.300 1 512 53 53 GLN CB C 29.900 0.300 1 513 53 53 GLN CG C 35.430 0.300 1 514 53 53 GLN N N 118.473 0.300 1 515 53 53 GLN NE2 N 113.238 0.300 1 516 54 54 ILE H H 8.380 0.030 1 517 54 54 ILE HA H 3.677 0.030 1 518 54 54 ILE HB H 2.075 0.030 1 519 54 54 ILE HD1 H 0.630 0.030 1 520 54 54 ILE HG12 H 1.544 0.030 2 521 54 54 ILE HG13 H 1.135 0.030 2 522 54 54 ILE HG2 H 0.977 0.030 1 523 54 54 ILE C C 177.673 0.300 1 524 54 54 ILE CA C 64.650 0.300 1 525 54 54 ILE CB C 37.476 0.300 1 526 54 54 ILE CD1 C 12.440 0.300 1 527 54 54 ILE CG1 C 29.085 0.300 1 528 54 54 ILE CG2 C 17.714 0.300 1 529 54 54 ILE N N 120.113 0.300 1 530 55 55 SER H H 8.854 0.030 1 531 55 55 SER HA H 4.267 0.030 1 532 55 55 SER HB2 H 4.140 0.030 2 533 55 55 SER HB3 H 4.015 0.030 2 534 55 55 SER C C 177.127 0.300 1 535 55 55 SER CA C 62.852 0.300 1 536 55 55 SER CB C 62.727 0.300 1 537 55 55 SER N N 116.646 0.300 1 538 56 56 ASN H H 8.634 0.030 1 539 56 56 ASN HA H 4.549 0.030 1 540 56 56 ASN HB2 H 2.966 0.030 2 541 56 56 ASN HB3 H 2.804 0.030 2 542 56 56 ASN HD21 H 7.651 0.030 2 543 56 56 ASN HD22 H 6.889 0.030 2 544 56 56 ASN C C 177.481 0.300 1 545 56 56 ASN CA C 55.951 0.300 1 546 56 56 ASN CB C 37.852 0.300 1 547 56 56 ASN N N 119.048 0.300 1 548 56 56 ASN ND2 N 111.948 0.300 1 549 57 57 TRP H H 8.373 0.030 1 550 57 57 TRP HA H 4.065 0.030 1 551 57 57 TRP HB2 H 3.376 0.030 2 552 57 57 TRP HB3 H 3.185 0.030 2 553 57 57 TRP HD1 H 7.054 0.030 1 554 57 57 TRP HE1 H 9.911 0.030 1 555 57 57 TRP HE3 H 6.161 0.030 1 556 57 57 TRP HH2 H 6.654 0.030 1 557 57 57 TRP HZ2 H 7.137 0.030 1 558 57 57 TRP HZ3 H 6.105 0.030 1 559 57 57 TRP C C 179.392 0.300 1 560 57 57 TRP CA C 63.204 0.300 1 561 57 57 TRP CB C 28.376 0.300 1 562 57 57 TRP CD1 C 126.966 0.300 1 563 57 57 TRP CE3 C 120.467 0.300 1 564 57 57 TRP CH2 C 123.360 0.300 1 565 57 57 TRP CZ2 C 113.739 0.300 1 566 57 57 TRP CZ3 C 122.437 0.300 1 567 57 57 TRP N N 122.950 0.300 1 568 57 57 TRP NE1 N 128.696 0.300 1 569 58 58 PHE H H 8.428 0.030 1 570 58 58 PHE HA H 3.922 0.030 1 571 58 58 PHE HB2 H 3.305 0.030 2 572 58 58 PHE HB3 H 3.213 0.030 2 573 58 58 PHE HD1 H 7.635 0.030 1 574 58 58 PHE HD2 H 7.635 0.030 1 575 58 58 PHE HE1 H 7.249 0.030 1 576 58 58 PHE HE2 H 7.249 0.030 1 577 58 58 PHE HZ H 7.009 0.030 1 578 58 58 PHE C C 178.237 0.300 1 579 58 58 PHE CA C 64.015 0.300 1 580 58 58 PHE CB C 39.602 0.300 1 581 58 58 PHE CD1 C 131.940 0.300 1 582 58 58 PHE CD2 C 131.940 0.300 1 583 58 58 PHE CE1 C 131.312 0.300 1 584 58 58 PHE CE2 C 131.312 0.300 1 585 58 58 PHE CZ C 129.890 0.300 1 586 58 58 PHE N N 116.774 0.300 1 587 59 59 ILE H H 7.925 0.030 1 588 59 59 ILE HA H 3.773 0.030 1 589 59 59 ILE HB H 1.903 0.030 1 590 59 59 ILE HD1 H 0.910 0.030 1 591 59 59 ILE HG12 H 1.161 0.030 2 592 59 59 ILE HG13 H 1.858 0.030 2 593 59 59 ILE HG2 H 0.923 0.030 1 594 59 59 ILE C C 178.745 0.300 1 595 59 59 ILE CA C 65.531 0.300 1 596 59 59 ILE CB C 38.480 0.300 1 597 59 59 ILE CD1 C 13.346 0.300 1 598 59 59 ILE CG1 C 29.457 0.300 1 599 59 59 ILE CG2 C 16.894 0.300 1 600 59 59 ILE N N 119.560 0.300 1 601 60 60 ASN H H 7.506 0.030 1 602 60 60 ASN HA H 4.407 0.030 1 603 60 60 ASN HB2 H 2.653 0.030 2 604 60 60 ASN HB3 H 2.582 0.030 2 605 60 60 ASN HD21 H 7.502 0.030 2 606 60 60 ASN HD22 H 6.931 0.030 2 607 60 60 ASN C C 177.163 0.300 1 608 60 60 ASN CA C 55.871 0.300 1 609 60 60 ASN CB C 38.878 0.300 1 610 60 60 ASN N N 116.868 0.300 1 611 60 60 ASN ND2 N 114.239 0.300 1 612 61 61 ALA H H 8.410 0.030 1 613 61 61 ALA HA H 3.667 0.030 1 614 61 61 ALA HB H 0.396 0.030 1 615 61 61 ALA C C 180.061 0.300 1 616 61 61 ALA CA C 54.601 0.300 1 617 61 61 ALA CB C 18.241 0.300 1 618 61 61 ALA N N 123.022 0.300 1 619 62 62 ARG H H 8.036 0.030 1 620 62 62 ARG HA H 4.092 0.030 1 621 62 62 ARG HB2 H 1.995 0.030 2 622 62 62 ARG HB3 H 1.902 0.030 2 623 62 62 ARG HD2 H 3.055 0.030 1 624 62 62 ARG HD3 H 3.055 0.030 1 625 62 62 ARG HG2 H 1.564 0.030 2 626 62 62 ARG HG3 H 1.943 0.030 2 627 62 62 ARG C C 176.756 0.300 1 628 62 62 ARG CA C 58.762 0.300 1 629 62 62 ARG CB C 30.601 0.300 1 630 62 62 ARG CD C 43.333 0.300 1 631 62 62 ARG CG C 29.003 0.300 1 632 62 62 ARG N N 117.168 0.300 1 633 63 63 ARG H H 7.214 0.030 1 634 63 63 ARG HA H 4.249 0.030 1 635 63 63 ARG HB2 H 1.909 0.030 1 636 63 63 ARG HB3 H 1.909 0.030 1 637 63 63 ARG HD2 H 3.218 0.030 1 638 63 63 ARG HD3 H 3.218 0.030 1 639 63 63 ARG HG2 H 1.780 0.030 2 640 63 63 ARG HG3 H 1.635 0.030 2 641 63 63 ARG C C 176.945 0.300 1 642 63 63 ARG CA C 57.669 0.300 1 643 63 63 ARG CB C 30.765 0.300 1 644 63 63 ARG CD C 43.487 0.300 1 645 63 63 ARG CG C 27.519 0.300 1 646 63 63 ARG N N 116.514 0.300 1 647 64 64 ARG H H 7.913 0.030 1 648 64 64 ARG HA H 4.351 0.030 1 649 64 64 ARG HB2 H 1.840 0.030 2 650 64 64 ARG HB3 H 1.727 0.030 2 651 64 64 ARG HD2 H 3.168 0.030 1 652 64 64 ARG HD3 H 3.168 0.030 1 653 64 64 ARG HG2 H 1.641 0.030 2 654 64 64 ARG HG3 H 1.560 0.030 2 655 64 64 ARG C C 176.413 0.300 1 656 64 64 ARG CA C 57.105 0.300 1 657 64 64 ARG CB C 31.672 0.300 1 658 64 64 ARG CD C 43.258 0.300 1 659 64 64 ARG CG C 27.355 0.300 1 660 64 64 ARG N N 116.818 0.300 1 661 65 65 ILE H H 8.169 0.030 1 662 65 65 ILE HA H 4.285 0.030 1 663 65 65 ILE HB H 1.884 0.030 1 664 65 65 ILE HD1 H 0.850 0.030 1 665 65 65 ILE HG12 H 1.455 0.030 2 666 65 65 ILE HG13 H 1.135 0.030 2 667 65 65 ILE HG2 H 0.923 0.030 1 668 65 65 ILE C C 176.208 0.300 1 669 65 65 ILE CA C 62.005 0.300 1 670 65 65 ILE CB C 39.088 0.300 1 671 65 65 ILE CD1 C 13.429 0.300 1 672 65 65 ILE CG1 C 27.602 0.300 1 673 65 65 ILE CG2 C 17.549 0.300 1 674 65 65 ILE N N 119.185 0.300 1 675 66 66 LEU H H 7.962 0.030 1 676 66 66 LEU HA H 4.485 0.030 1 677 66 66 LEU HB2 H 1.649 0.030 2 678 66 66 LEU HB3 H 1.952 0.030 2 679 66 66 LEU HD1 H 1.010 0.030 1 680 66 66 LEU HD2 H 0.972 0.030 1 681 66 66 LEU HG H 1.677 0.030 1 682 66 66 LEU C C 176.216 0.300 1 683 66 66 LEU CA C 56.153 0.300 1 684 66 66 LEU CB C 40.792 0.300 1 685 66 66 LEU CD1 C 24.370 0.300 2 686 66 66 LEU CD2 C 25.034 0.300 2 687 66 66 LEU CG C 27.194 0.300 1 688 66 66 LEU N N 124.389 0.300 1 689 67 67 PRO HA H 4.283 0.030 1 690 67 67 PRO HB2 H 1.861 0.030 2 691 67 67 PRO HB3 H 2.302 0.030 2 692 67 67 PRO HD2 H 3.767 0.030 2 693 67 67 PRO HD3 H 3.395 0.030 2 694 67 67 PRO HG2 H 1.963 0.030 2 695 67 67 PRO HG3 H 2.066 0.030 2 696 67 67 PRO C C 178.294 0.300 1 697 67 67 PRO CA C 65.390 0.300 1 698 67 67 PRO CB C 31.095 0.300 1 699 67 67 PRO CD C 50.262 0.300 1 700 67 67 PRO CG C 28.096 0.300 1 701 68 68 ASP H H 7.913 0.030 1 702 68 68 ASP HA H 4.507 0.030 1 703 68 68 ASP HB2 H 2.708 0.030 1 704 68 68 ASP HB3 H 2.708 0.030 1 705 68 68 ASP C C 177.927 0.300 1 706 68 68 ASP CA C 55.906 0.300 1 707 68 68 ASP CB C 40.736 0.300 1 708 68 68 ASP N N 117.231 0.300 1 709 69 69 MET H H 8.083 0.030 1 710 69 69 MET HA H 4.362 0.030 1 711 69 69 MET HB2 H 2.815 0.030 2 712 69 69 MET HB3 H 2.563 0.030 2 713 69 69 MET HE H 2.142 0.030 1 714 69 69 MET HG2 H 2.217 0.030 2 715 69 69 MET HG3 H 2.069 0.030 2 716 69 69 MET C C 177.374 0.300 1 717 69 69 MET CA C 57.634 0.300 1 718 69 69 MET CB C 32.816 0.300 1 719 69 69 MET CE C 17.890 0.300 1 720 69 69 MET CG C 32.879 0.300 1 721 69 69 MET N N 119.391 0.300 1 722 70 70 LEU H H 7.907 0.030 1 723 70 70 LEU HA H 4.232 0.030 1 724 70 70 LEU HB2 H 1.615 0.030 2 725 70 70 LEU HB3 H 1.765 0.030 2 726 70 70 LEU HD1 H 0.904 0.030 1 727 70 70 LEU HD2 H 0.727 0.030 1 728 70 70 LEU HG H 1.621 0.030 1 729 70 70 LEU C C 177.745 0.300 1 730 70 70 LEU CA C 55.835 0.300 1 731 70 70 LEU CB C 42.174 0.300 1 732 70 70 LEU CD1 C 25.200 0.300 2 733 70 70 LEU CD2 C 22.972 0.300 2 734 70 70 LEU CG C 26.982 0.300 1 735 70 70 LEU N N 119.266 0.300 1 736 71 71 GLN H H 7.865 0.030 1 737 71 71 GLN HA H 4.287 0.030 1 738 71 71 GLN HB2 H 2.074 0.030 2 739 71 71 GLN HB3 H 2.146 0.030 2 740 71 71 GLN HE21 H 7.546 0.030 2 741 71 71 GLN HE22 H 6.857 0.030 2 742 71 71 GLN HG2 H 2.414 0.030 2 743 71 71 GLN C C 178.855 0.300 1 744 71 71 GLN CA C 56.383 0.300 1 745 71 71 GLN CB C 29.092 0.300 1 746 71 71 GLN CG C 33.903 0.300 1 747 71 71 GLN N N 118.603 0.300 1 748 71 71 GLN NE2 N 112.310 0.300 1 749 72 72 GLN H H 8.189 0.030 1 750 72 72 GLN HA H 4.302 0.030 1 751 72 72 GLN HB2 H 2.153 0.030 2 752 72 72 GLN HB3 H 2.069 0.030 2 753 72 72 GLN HG2 H 2.421 0.030 1 754 72 72 GLN HG3 H 2.421 0.030 1 755 72 72 GLN CA C 56.206 0.300 1 756 72 72 GLN CB C 29.298 0.300 1 757 72 72 GLN CG C 33.893 0.300 1 758 72 72 GLN N N 120.267 0.300 1 759 73 73 ARG C C 176.105 0.300 1 760 74 74 ARG HA H 4.334 0.030 1 761 74 74 ARG HB2 H 1.877 0.030 2 762 74 74 ARG HB3 H 1.782 0.030 2 763 74 74 ARG HD2 H 3.195 0.030 1 764 74 74 ARG HD3 H 3.195 0.030 1 765 74 74 ARG HG2 H 1.628 0.030 1 766 74 74 ARG HG3 H 1.628 0.030 1 767 74 74 ARG C C 176.188 0.300 1 768 74 74 ARG CA C 56.300 0.300 1 769 74 74 ARG CB C 30.668 0.300 1 770 74 74 ARG CD C 43.443 0.300 1 771 74 74 ARG CG C 27.101 0.300 1 772 75 75 ASN C C 174.462 0.300 1 773 75 75 ASN CA C 53.148 0.300 1 774 75 75 ASN CB C 39.046 0.300 1 775 76 76 ASP H H 8.257 0.030 1 776 76 76 ASP HA H 4.877 0.030 1 777 76 76 ASP HB2 H 2.757 0.030 2 778 76 76 ASP HB3 H 2.527 0.030 2 779 76 76 ASP C C 174.759 0.300 1 780 76 76 ASP CA C 52.380 0.300 1 781 76 76 ASP CB C 41.267 0.300 1 782 76 76 ASP N N 122.030 0.300 1 783 77 77 PRO HA H 4.466 0.030 1 784 77 77 PRO HB2 H 1.996 0.030 2 785 77 77 PRO HB3 H 2.296 0.030 2 786 77 77 PRO HD2 H 3.834 0.030 2 787 77 77 PRO HD3 H 3.779 0.030 2 788 77 77 PRO HG2 H 2.022 0.030 1 789 77 77 PRO HG3 H 2.022 0.030 1 790 77 77 PRO C C 177.133 0.300 1 791 77 77 PRO CA C 63.733 0.300 1 792 77 77 PRO CB C 31.919 0.300 1 793 77 77 PRO CD C 50.839 0.300 1 794 77 77 PRO CG C 27.190 0.300 1 795 78 78 SER H H 8.457 0.030 1 796 78 78 SER HA H 4.479 0.030 1 797 78 78 SER HB2 H 3.914 0.030 1 798 78 78 SER HB3 H 3.914 0.030 1 799 78 78 SER C C 174.731 0.300 1 800 78 78 SER CA C 58.691 0.300 1 801 78 78 SER CB C 63.973 0.300 1 802 78 78 SER N N 115.711 0.300 1 803 79 79 GLY H H 8.090 0.030 1 804 79 79 GLY HA2 H 4.179 0.030 2 805 79 79 GLY HA3 H 4.065 0.030 2 806 79 79 GLY CA C 44.746 0.300 1 807 79 79 GLY N N 110.429 0.300 1 808 80 80 PRO HA H 4.464 0.030 1 809 80 80 PRO HB2 H 1.986 0.030 2 810 80 80 PRO HB3 H 2.293 0.030 2 811 80 80 PRO HD2 H 3.630 0.030 1 812 80 80 PRO HD3 H 3.630 0.030 1 813 80 80 PRO HG2 H 2.025 0.030 2 814 80 80 PRO C C 177.499 0.300 1 815 80 80 PRO CA C 63.275 0.300 1 816 80 80 PRO CB C 32.249 0.300 1 817 80 80 PRO CD C 49.846 0.300 1 818 80 80 PRO CG C 27.190 0.300 1 stop_ save_