data_11279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2DZI/Solution Structure of the N-terminal Ubiquitin-like Domain in Human Ubiquitin-like Protein 4A (GDX) ; _BMRB_accession_number 11279 _BMRB_flat_file_name bmr11279.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Zhao C. . . 2 Sato M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 467 "13C chemical shifts" 347 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 2DZI/Solution Structure of the N-terminal Ubiquitin-like Domain in Human Ubiquitin-like Protein 4A (GDX) ; _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 Zhao C. . . 2 Sato M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ubiquitin-like protein 4A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like 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 'ubiquitin-like domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GSSGSSGMQLTVKALQGREC SLQVPEDELVSTLKQLVSEK LNVPVRQQRLLFKGKALADG KRLSDYSIGPNSKLNLVVKP L ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLN 10 LEU 11 THR 12 VAL 13 LYS 14 ALA 15 LEU 16 GLN 17 GLY 18 ARG 19 GLU 20 CYS 21 SER 22 LEU 23 GLN 24 VAL 25 PRO 26 GLU 27 ASP 28 GLU 29 LEU 30 VAL 31 SER 32 THR 33 LEU 34 LYS 35 GLN 36 LEU 37 VAL 38 SER 39 GLU 40 LYS 41 LEU 42 ASN 43 VAL 44 PRO 45 VAL 46 ARG 47 GLN 48 GLN 49 ARG 50 LEU 51 LEU 52 PHE 53 LYS 54 GLY 55 LYS 56 ALA 57 LEU 58 ALA 59 ASP 60 GLY 61 LYS 62 ARG 63 LEU 64 SER 65 ASP 66 TYR 67 SER 68 ILE 69 GLY 70 PRO 71 ASN 72 SER 73 LYS 74 LEU 75 ASN 76 LEU 77 VAL 78 VAL 79 LYS 80 PRO 81 LEU 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 2DZI "2dziSOLUTION STRUCTURE OF THE N-Terminal Ubiquitin-Like Domain In Human Ubiquitin-Like Protein 4a (Gdx)" 100.00 81 100.00 100.00 5.85e-48 DBJ BAG56766 "unnamed protein product [Homo sapiens]" 62.96 151 100.00 100.00 4.92e-25 EMBL CAH93235 "hypothetical protein [Pongo abelii]" 91.36 157 100.00 100.00 9.12e-43 GB AAA36790 "ubiquitin-like protein [Homo sapiens]" 91.36 157 100.00 100.00 8.55e-43 GB AAA92650 "ubiquitin-like protein [Homo sapiens]" 91.36 157 100.00 100.00 8.55e-43 GB AAH43346 "Ubiquitin-like 4A [Homo sapiens]" 91.36 157 100.00 100.00 8.55e-43 GB AAH53589 "Ubiquitin-like 4A [Homo sapiens]" 91.36 157 100.00 100.00 8.55e-43 GB ABZ10495 "ubiquitin-like 4A (predicted) [Callithrix jacchus]" 91.36 157 98.65 100.00 4.73e-42 REF NP_001126901 "ubiquitin-like protein 4A [Pongo abelii]" 91.36 157 100.00 100.00 9.12e-43 REF NP_001164852 "ubiquitin-like protein 4A [Oryctolagus cuniculus]" 91.36 157 97.30 98.65 3.39e-41 REF NP_001229350 "ubiquitin-like protein 4A [Pan troglodytes]" 91.36 157 100.00 100.00 8.55e-43 REF NP_001253630 "ubiquitin-like protein 4A [Macaca mulatta]" 91.36 157 100.00 100.00 8.28e-43 REF NP_055050 "ubiquitin-like protein 4A [Homo sapiens]" 91.36 157 100.00 100.00 8.55e-43 SP B0KWT6 "RecName: Full=Ubiquitin-like protein 4A" 91.36 157 98.65 100.00 4.73e-42 SP B1MTV8 "RecName: Full=Ubiquitin-like protein 4A" 91.36 157 100.00 100.00 8.37e-43 SP B7NZQ9 "RecName: Full=Ubiquitin-like protein 4A" 91.36 157 97.30 98.65 3.39e-41 SP P11441 "RecName: Full=Ubiquitin-like protein 4A; AltName: Full=Ubiquitin-like protein GDX" 91.36 157 100.00 100.00 8.55e-43 SP Q5R4T1 "RecName: Full=Ubiquitin-like protein 4A" 91.36 157 100.00 100.00 9.12e-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' 'E. coli' Escherichia coli . plasmid P060227-19 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.18mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.18 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9748 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 296.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'ubiquitin-like 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 6 6 SER HA H 4.481 0.030 1 2 6 6 SER HB2 H 3.856 0.030 1 3 6 6 SER HB3 H 3.856 0.030 1 4 6 6 SER C C 174.418 0.300 1 5 6 6 SER CA C 58.508 0.300 1 6 6 6 SER CB C 64.003 0.300 1 7 7 7 GLY H H 8.291 0.030 1 8 7 7 GLY HA2 H 3.823 0.030 2 9 7 7 GLY HA3 H 3.863 0.030 2 10 7 7 GLY C C 172.553 0.300 1 11 7 7 GLY CA C 44.961 0.300 1 12 7 7 GLY N N 110.058 0.300 1 13 8 8 MET H H 9.131 0.030 1 14 8 8 MET HA H 4.753 0.030 1 15 8 8 MET HB2 H 1.885 0.030 2 16 8 8 MET HB3 H 1.958 0.030 2 17 8 8 MET HE H 1.850 0.030 1 18 8 8 MET HG2 H 2.114 0.030 2 19 8 8 MET HG3 H 2.616 0.030 2 20 8 8 MET C C 173.231 0.300 1 21 8 8 MET CA C 53.933 0.300 1 22 8 8 MET CB C 35.633 0.300 1 23 8 8 MET CE C 18.994 0.300 1 24 8 8 MET CG C 31.274 0.300 1 25 8 8 MET N N 120.158 0.300 1 26 9 9 GLN H H 8.688 0.030 1 27 9 9 GLN HA H 4.988 0.030 1 28 9 9 GLN HB2 H 1.985 0.030 2 29 9 9 GLN HB3 H 2.094 0.030 2 30 9 9 GLN HE21 H 7.564 0.030 2 31 9 9 GLN HE22 H 6.845 0.030 2 32 9 9 GLN HG2 H 2.343 0.030 2 33 9 9 GLN C C 175.557 0.300 1 34 9 9 GLN CA C 55.270 0.300 1 35 9 9 GLN CB C 29.724 0.300 1 36 9 9 GLN CG C 34.399 0.300 1 37 9 9 GLN N N 122.122 0.300 1 38 9 9 GLN NE2 N 112.043 0.300 1 39 10 10 LEU H H 8.918 0.030 1 40 10 10 LEU HA H 4.800 0.030 1 41 10 10 LEU HB2 H 1.422 0.030 1 42 10 10 LEU HB3 H 1.422 0.030 1 43 10 10 LEU HD1 H 0.692 0.030 1 44 10 10 LEU HD2 H 0.692 0.030 1 45 10 10 LEU HG H 1.453 0.030 1 46 10 10 LEU C C 175.460 0.300 1 47 10 10 LEU CA C 54.356 0.300 1 48 10 10 LEU CB C 46.503 0.300 1 49 10 10 LEU CD1 C 26.776 0.300 2 50 10 10 LEU CD2 C 26.776 0.300 2 51 10 10 LEU CG C 26.505 0.300 1 52 10 10 LEU N N 124.441 0.300 1 53 11 11 THR H H 8.305 0.030 1 54 11 11 THR HA H 5.270 0.030 1 55 11 11 THR HB H 3.891 0.030 1 56 11 11 THR HG2 H 1.149 0.030 1 57 11 11 THR C C 173.061 0.300 1 58 11 11 THR CA C 61.469 0.300 1 59 11 11 THR CB C 71.569 0.300 1 60 11 11 THR CG2 C 21.735 0.300 1 61 11 11 THR N N 117.626 0.300 1 62 12 12 VAL H H 8.903 0.030 1 63 12 12 VAL HA H 4.526 0.030 1 64 12 12 VAL HB H 2.000 0.030 1 65 12 12 VAL HG1 H 0.647 0.030 1 66 12 12 VAL HG2 H 0.682 0.030 1 67 12 12 VAL C C 173.716 0.300 1 68 12 12 VAL CA C 61.393 0.300 1 69 12 12 VAL CB C 33.579 0.300 1 70 12 12 VAL CG1 C 22.151 0.300 2 71 12 12 VAL CG2 C 20.749 0.300 2 72 12 12 VAL N N 125.447 0.300 1 73 13 13 LYS H H 8.754 0.030 1 74 13 13 LYS HA H 4.857 0.030 1 75 13 13 LYS HB2 H 1.696 0.030 2 76 13 13 LYS HB3 H 1.947 0.030 2 77 13 13 LYS HD2 H 1.636 0.030 2 78 13 13 LYS HE2 H 2.953 0.030 2 79 13 13 LYS HG2 H 1.346 0.030 2 80 13 13 LYS HG3 H 1.430 0.030 2 81 13 13 LYS C C 175.242 0.300 1 82 13 13 LYS CA C 54.919 0.300 1 83 13 13 LYS CB C 35.176 0.300 1 84 13 13 LYS CD C 29.465 0.300 1 85 13 13 LYS CE C 42.129 0.300 1 86 13 13 LYS CG C 24.860 0.300 1 87 13 13 LYS N N 126.919 0.300 1 88 14 14 ALA H H 9.003 0.030 1 89 14 14 ALA HA H 5.040 0.030 1 90 14 14 ALA HB H 1.451 0.030 1 91 14 14 ALA C C 177.107 0.300 1 92 14 14 ALA CA C 50.591 0.300 1 93 14 14 ALA CB C 20.428 0.300 1 94 14 14 ALA N N 130.432 0.300 1 95 15 15 LEU H H 8.260 0.030 1 96 15 15 LEU HA H 4.258 0.030 1 97 15 15 LEU HB2 H 1.693 0.030 2 98 15 15 LEU HB3 H 1.808 0.030 2 99 15 15 LEU HD1 H 0.997 0.030 1 100 15 15 LEU HD2 H 0.958 0.030 1 101 15 15 LEU HG H 1.778 0.030 1 102 15 15 LEU C C 178.077 0.300 1 103 15 15 LEU CA C 56.783 0.300 1 104 15 15 LEU CB C 42.129 0.300 1 105 15 15 LEU CD1 C 25.025 0.300 2 106 15 15 LEU CD2 C 23.718 0.300 2 107 15 15 LEU CG C 27.230 0.300 1 108 15 15 LEU N N 121.778 0.300 1 109 16 16 GLN H H 8.731 0.030 1 110 16 16 GLN HA H 4.136 0.030 1 111 16 16 GLN HB2 H 2.149 0.030 2 112 16 16 GLN HB3 H 2.316 0.030 2 113 16 16 GLN HE21 H 7.411 0.030 2 114 16 16 GLN HE22 H 6.806 0.030 2 115 16 16 GLN HG2 H 2.383 0.030 2 116 16 16 GLN C C 176.381 0.300 1 117 16 16 GLN CA C 56.713 0.300 1 118 16 16 GLN CB C 27.409 0.300 1 119 16 16 GLN CG C 34.399 0.300 1 120 16 16 GLN N N 115.616 0.300 1 121 16 16 GLN NE2 N 111.396 0.300 1 122 17 17 GLY H H 8.187 0.030 1 123 17 17 GLY HA2 H 3.890 0.030 2 124 17 17 GLY HA3 H 4.084 0.030 2 125 17 17 GLY C C 174.321 0.300 1 126 17 17 GLY CA C 45.770 0.300 1 127 17 17 GLY N N 106.750 0.300 1 128 18 18 ARG H H 7.688 0.030 1 129 18 18 ARG HA H 4.437 0.030 1 130 18 18 ARG HB2 H 1.791 0.030 1 131 18 18 ARG HB3 H 1.791 0.030 1 132 18 18 ARG HD2 H 3.231 0.030 1 133 18 18 ARG HD3 H 3.231 0.030 1 134 18 18 ARG HG2 H 1.659 0.030 2 135 18 18 ARG HG3 H 1.748 0.030 2 136 18 18 ARG C C 174.467 0.300 1 137 18 18 ARG CA C 56.291 0.300 1 138 18 18 ARG CB C 31.603 0.300 1 139 18 18 ARG CD C 43.610 0.300 1 140 18 18 ARG CG C 27.457 0.300 1 141 18 18 ARG N N 121.122 0.300 1 142 19 19 GLU H H 8.417 0.030 1 143 19 19 GLU HA H 5.427 0.030 1 144 19 19 GLU HB2 H 2.050 0.030 2 145 19 19 GLU HB3 H 1.929 0.030 2 146 19 19 GLU HG2 H 2.062 0.030 2 147 19 19 GLU HG3 H 2.135 0.030 2 148 19 19 GLU C C 175.097 0.300 1 149 19 19 GLU CA C 54.567 0.300 1 150 19 19 GLU CB C 33.805 0.300 1 151 19 19 GLU CG C 35.797 0.300 1 152 19 19 GLU N N 119.144 0.300 1 153 20 20 CYS H H 8.962 0.030 1 154 20 20 CYS HA H 5.081 0.030 1 155 20 20 CYS HB2 H 2.782 0.030 2 156 20 20 CYS HB3 H 2.947 0.030 2 157 20 20 CYS C C 171.680 0.300 1 158 20 20 CYS CA C 55.869 0.300 1 159 20 20 CYS CB C 31.538 0.300 1 160 20 20 CYS N N 116.008 0.300 1 161 21 21 SER H H 8.653 0.030 1 162 21 21 SER HA H 5.349 0.030 1 163 21 21 SER HB2 H 3.720 0.030 2 164 21 21 SER HB3 H 3.805 0.030 2 165 21 21 SER C C 173.304 0.300 1 166 21 21 SER CA C 56.959 0.300 1 167 21 21 SER CB C 64.466 0.300 1 168 21 21 SER N N 117.964 0.300 1 169 22 22 LEU H H 9.066 0.030 1 170 22 22 LEU HA H 4.768 0.030 1 171 22 22 LEU HB2 H 1.446 0.030 2 172 22 22 LEU HB3 H 1.483 0.030 2 173 22 22 LEU HD1 H 0.692 0.030 1 174 22 22 LEU HD2 H 0.838 0.030 1 175 22 22 LEU HG H 1.493 0.030 1 176 22 22 LEU C C 174.418 0.300 1 177 22 22 LEU CA C 53.546 0.300 1 178 22 22 LEU CB C 46.323 0.300 1 179 22 22 LEU CD1 C 26.997 0.300 2 180 22 22 LEU CD2 C 24.942 0.300 2 181 22 22 LEU CG C 27.245 0.300 1 182 22 22 LEU N N 124.883 0.300 1 183 23 23 GLN H H 8.221 0.030 1 184 23 23 GLN HA H 5.210 0.030 1 185 23 23 GLN HB2 H 1.866 0.030 1 186 23 23 GLN HB3 H 1.866 0.030 1 187 23 23 GLN HE21 H 7.249 0.030 2 188 23 23 GLN HE22 H 6.634 0.030 2 189 23 23 GLN HG2 H 2.085 0.030 2 190 23 23 GLN HG3 H 2.137 0.030 2 191 23 23 GLN C C 175.678 0.300 1 192 23 23 GLN CA C 54.532 0.300 1 193 23 23 GLN CB C 29.794 0.300 1 194 23 23 GLN CG C 33.579 0.300 1 195 23 23 GLN N N 121.223 0.300 1 196 23 23 GLN NE2 N 110.292 0.300 1 197 24 24 VAL H H 8.807 0.030 1 198 24 24 VAL HA H 4.977 0.030 1 199 24 24 VAL HB H 2.095 0.030 1 200 24 24 VAL HG1 H 0.816 0.030 1 201 24 24 VAL HG2 H 0.658 0.030 1 202 24 24 VAL C C 172.649 0.300 1 203 24 24 VAL CA C 57.428 0.300 1 204 24 24 VAL CB C 34.711 0.300 1 205 24 24 VAL CG1 C 22.922 0.300 2 206 24 24 VAL CG2 C 18.898 0.300 2 207 24 24 VAL N N 118.278 0.300 1 208 25 25 PRO HA H 4.513 0.030 1 209 25 25 PRO HB2 H 1.854 0.030 2 210 25 25 PRO HB3 H 2.423 0.030 2 211 25 25 PRO HD2 H 3.861 0.030 2 212 25 25 PRO HD3 H 3.802 0.030 2 213 25 25 PRO HG2 H 2.097 0.030 2 214 25 25 PRO HG3 H 2.013 0.030 2 215 25 25 PRO C C 177.156 0.300 1 216 25 25 PRO CA C 63.152 0.300 1 217 25 25 PRO CB C 32.615 0.300 1 218 25 25 PRO CD C 50.846 0.300 1 219 25 25 PRO CG C 27.903 0.300 1 220 26 26 GLU H H 8.947 0.030 1 221 26 26 GLU HA H 4.030 0.030 1 222 26 26 GLU HB2 H 2.009 0.030 1 223 26 26 GLU HB3 H 2.009 0.030 1 224 26 26 GLU HG2 H 2.316 0.030 2 225 26 26 GLU HG3 H 2.440 0.030 2 226 26 26 GLU C C 175.411 0.300 1 227 26 26 GLU CA C 58.930 0.300 1 228 26 26 GLU CB C 29.712 0.300 1 229 26 26 GLU CG C 36.578 0.300 1 230 26 26 GLU N N 119.682 0.300 1 231 27 27 ASP H H 8.001 0.030 1 232 27 27 ASP HA H 4.764 0.030 1 233 27 27 ASP HB2 H 2.549 0.030 2 234 27 27 ASP HB3 H 2.888 0.030 2 235 27 27 ASP C C 175.630 0.300 1 236 27 27 ASP CA C 51.400 0.300 1 237 27 27 ASP CB C 40.343 0.300 1 238 27 27 ASP N N 113.666 0.300 1 239 28 28 GLU H H 7.240 0.030 1 240 28 28 GLU HA H 4.232 0.030 1 241 28 28 GLU HB2 H 1.638 0.030 2 242 28 28 GLU HB3 H 2.294 0.030 2 243 28 28 GLU HG2 H 2.057 0.030 2 244 28 28 GLU HG3 H 2.962 0.030 2 245 28 28 GLU C C 175.508 0.300 1 246 28 28 GLU CA C 56.115 0.300 1 247 28 28 GLU CB C 30.617 0.300 1 248 28 28 GLU CG C 35.862 0.300 1 249 28 28 GLU N N 118.232 0.300 1 250 29 29 LEU H H 9.720 0.030 1 251 29 29 LEU HA H 4.554 0.030 1 252 29 29 LEU HB2 H 1.868 0.030 1 253 29 29 LEU HB3 H 1.868 0.030 1 254 29 29 LEU HD1 H 0.989 0.030 1 255 29 29 LEU HD2 H 0.892 0.030 1 256 29 29 LEU HG H 1.850 0.030 1 257 29 29 LEU C C 179.167 0.300 1 258 29 29 LEU CA C 55.376 0.300 1 259 29 29 LEU CB C 43.328 0.300 1 260 29 29 LEU CD1 C 25.600 0.300 2 261 29 29 LEU CD2 C 23.873 0.300 2 262 29 29 LEU CG C 27.608 0.300 1 263 29 29 LEU N N 126.202 0.300 1 264 30 30 VAL H H 9.097 0.030 1 265 30 30 VAL HA H 3.349 0.030 1 266 30 30 VAL HB H 2.420 0.030 1 267 30 30 VAL HG1 H 0.670 0.030 1 268 30 30 VAL HG2 H 0.890 0.030 1 269 30 30 VAL C C 178.125 0.300 1 270 30 30 VAL CA C 67.163 0.300 1 271 30 30 VAL CB C 31.357 0.300 1 272 30 30 VAL CG1 C 21.324 0.300 2 273 30 30 VAL CG2 C 23.829 0.300 2 274 30 30 VAL N N 125.259 0.300 1 275 31 31 SER H H 8.904 0.030 1 276 31 31 SER HA H 3.933 0.030 1 277 31 31 SER HB2 H 3.914 0.030 1 278 31 31 SER HB3 H 3.914 0.030 1 279 31 31 SER C C 177.398 0.300 1 280 31 31 SER CA C 61.619 0.300 1 281 31 31 SER CB C 67.211 0.300 1 282 31 31 SER N N 113.860 0.300 1 283 32 32 THR H H 6.990 0.030 1 284 32 32 THR HA H 4.047 0.030 1 285 32 32 THR HB H 4.375 0.030 1 286 32 32 THR HG2 H 1.205 0.030 1 287 32 32 THR C C 175.654 0.300 1 288 32 32 THR CA C 65.826 0.300 1 289 32 32 THR CB C 68.115 0.300 1 290 32 32 THR CG2 C 22.475 0.300 1 291 32 32 THR N N 121.214 0.300 1 292 33 33 LEU H H 7.985 0.030 1 293 33 33 LEU HA H 3.962 0.030 1 294 33 33 LEU HB2 H 1.342 0.030 2 295 33 33 LEU HB3 H 2.024 0.030 2 296 33 33 LEU HD1 H 0.764 0.030 1 297 33 33 LEU HD2 H 0.769 0.030 1 298 33 33 LEU HG H 1.463 0.030 1 299 33 33 LEU C C 178.173 0.300 1 300 33 33 LEU CA C 58.578 0.300 1 301 33 33 LEU CB C 41.301 0.300 1 302 33 33 LEU CD1 C 27.230 0.300 2 303 33 33 LEU CD2 C 24.962 0.300 2 304 33 33 LEU CG C 27.081 0.300 1 305 33 33 LEU N N 123.327 0.300 1 306 34 34 LYS H H 8.415 0.030 1 307 34 34 LYS HA H 4.358 0.030 1 308 34 34 LYS HB2 H 1.592 0.030 2 309 34 34 LYS HB3 H 1.900 0.030 2 310 34 34 LYS HD2 H 1.580 0.030 2 311 34 34 LYS HD3 H 1.727 0.030 2 312 34 34 LYS HE2 H 2.501 0.030 2 313 34 34 LYS HE3 H 2.648 0.030 2 314 34 34 LYS HG2 H 1.457 0.030 2 315 34 34 LYS HG3 H 1.528 0.030 2 316 34 34 LYS C C 179.700 0.300 1 317 34 34 LYS CA C 59.845 0.300 1 318 34 34 LYS CB C 33.805 0.300 1 319 34 34 LYS CD C 30.452 0.300 1 320 34 34 LYS CE C 42.783 0.300 1 321 34 34 LYS CG C 27.081 0.300 1 322 34 34 LYS N N 115.971 0.300 1 323 35 35 GLN H H 7.619 0.030 1 324 35 35 GLN HA H 3.849 0.030 1 325 35 35 GLN HB2 H 2.337 0.030 2 326 35 35 GLN HB3 H 2.370 0.030 2 327 35 35 GLN HE21 H 6.779 0.030 2 328 35 35 GLN HE22 H 7.820 0.030 2 329 35 35 GLN HG2 H 2.475 0.030 2 330 35 35 GLN HG3 H 2.446 0.030 2 331 35 35 GLN C C 179.070 0.300 1 332 35 35 GLN CA C 59.130 0.300 1 333 35 35 GLN CB C 27.409 0.300 1 334 35 35 GLN CG C 33.166 0.300 1 335 35 35 GLN N N 121.231 0.300 1 336 35 35 GLN NE2 N 112.785 0.300 1 337 36 36 LEU H H 8.133 0.030 1 338 36 36 LEU HA H 4.141 0.030 1 339 36 36 LEU HB2 H 1.478 0.030 2 340 36 36 LEU HB3 H 2.059 0.030 2 341 36 36 LEU HD1 H 0.921 0.030 1 342 36 36 LEU HD2 H 0.921 0.030 1 343 36 36 LEU HG H 1.890 0.030 1 344 36 36 LEU C C 180.257 0.300 1 345 36 36 LEU CA C 58.226 0.300 1 346 36 36 LEU CB C 42.370 0.300 1 347 36 36 LEU CD1 C 25.847 0.300 2 348 36 36 LEU CD2 C 22.722 0.300 2 349 36 36 LEU CG C 26.669 0.300 1 350 36 36 LEU N N 121.590 0.300 1 351 37 37 VAL H H 8.669 0.030 1 352 37 37 VAL HA H 3.441 0.030 1 353 37 37 VAL HB H 2.467 0.030 1 354 37 37 VAL HG1 H 0.751 0.030 1 355 37 37 VAL HG2 H 0.899 0.030 1 356 37 37 VAL C C 178.101 0.300 1 357 37 37 VAL CA C 66.671 0.300 1 358 37 37 VAL CB C 31.274 0.300 1 359 37 37 VAL CG1 C 22.311 0.300 2 360 37 37 VAL CG2 C 24.702 0.300 2 361 37 37 VAL N N 119.675 0.300 1 362 38 38 SER H H 8.506 0.030 1 363 38 38 SER HA H 4.193 0.030 1 364 38 38 SER HB2 H 4.057 0.030 2 365 38 38 SER HB3 H 3.911 0.030 2 366 38 38 SER C C 177.083 0.300 1 367 38 38 SER CA C 61.604 0.300 1 368 38 38 SER CB C 63.230 0.300 1 369 38 38 SER N N 116.861 0.300 1 370 39 39 GLU H H 7.429 0.030 1 371 39 39 GLU HA H 4.154 0.030 1 372 39 39 GLU HB2 H 2.162 0.030 2 373 39 39 GLU HB3 H 2.204 0.030 2 374 39 39 GLU HG2 H 2.281 0.030 2 375 39 39 GLU HG3 H 2.538 0.030 2 376 39 39 GLU C C 178.173 0.300 1 377 39 39 GLU CA C 58.332 0.300 1 378 39 39 GLU CB C 30.041 0.300 1 379 39 39 GLU CG C 36.208 0.300 1 380 39 39 GLU N N 119.498 0.300 1 381 40 40 LYS H H 7.677 0.030 1 382 40 40 LYS HA H 4.348 0.030 1 383 40 40 LYS HB2 H 1.870 0.030 2 384 40 40 LYS HB3 H 1.925 0.030 2 385 40 40 LYS HD2 H 1.641 0.030 2 386 40 40 LYS HD3 H 1.735 0.030 2 387 40 40 LYS HE2 H 2.998 0.030 2 388 40 40 LYS HE3 H 3.098 0.030 2 389 40 40 LYS HG2 H 1.517 0.030 2 390 40 40 LYS HG3 H 1.645 0.030 2 391 40 40 LYS C C 178.125 0.300 1 392 40 40 LYS CA C 57.558 0.300 1 393 40 40 LYS CB C 33.824 0.300 1 394 40 40 LYS CD C 28.590 0.300 1 395 40 40 LYS CE C 42.376 0.300 1 396 40 40 LYS CG C 25.271 0.300 1 397 40 40 LYS N N 115.966 0.300 1 398 41 41 LEU H H 8.650 0.030 1 399 41 41 LEU HA H 4.544 0.030 1 400 41 41 LEU HB2 H 1.501 0.030 1 401 41 41 LEU HB3 H 1.501 0.030 1 402 41 41 LEU HD1 H 0.688 0.030 1 403 41 41 LEU HD2 H 0.682 0.030 1 404 41 41 LEU HG H 1.536 0.030 1 405 41 41 LEU C C 176.599 0.300 1 406 41 41 LEU CA C 53.863 0.300 1 407 41 41 LEU CB C 42.623 0.300 1 408 41 41 LEU CD1 C 26.096 0.300 2 409 41 41 LEU CD2 C 22.887 0.300 2 410 41 41 LEU CG C 27.081 0.300 1 411 41 41 LEU N N 114.782 0.300 1 412 42 42 ASN H H 7.671 0.030 1 413 42 42 ASN HA H 4.574 0.030 1 414 42 42 ASN HB2 H 2.732 0.030 2 415 42 42 ASN HB3 H 3.127 0.030 2 416 42 42 ASN HD21 H 6.773 0.030 2 417 42 42 ASN HD22 H 7.509 0.030 2 418 42 42 ASN C C 174.006 0.300 1 419 42 42 ASN CA C 54.426 0.300 1 420 42 42 ASN CB C 36.889 0.300 1 421 42 42 ASN N N 115.320 0.300 1 422 42 42 ASN ND2 N 111.490 0.300 1 423 43 43 VAL H H 6.399 0.030 1 424 43 43 VAL HA H 4.579 0.030 1 425 43 43 VAL HB H 1.573 0.030 1 426 43 43 VAL HG1 H 0.909 0.030 1 427 43 43 VAL HG2 H 0.787 0.030 1 428 43 43 VAL C C 173.594 0.300 1 429 43 43 VAL CA C 58.414 0.300 1 430 43 43 VAL CB C 34.712 0.300 1 431 43 43 VAL CG1 C 21.788 0.300 2 432 43 43 VAL CG2 C 20.510 0.300 2 433 43 43 VAL N N 116.418 0.300 1 434 44 44 PRO HA H 4.370 0.030 1 435 44 44 PRO HB2 H 1.743 0.030 2 436 44 44 PRO HB3 H 2.469 0.030 2 437 44 44 PRO HD2 H 3.543 0.030 2 438 44 44 PRO HD3 H 3.954 0.030 2 439 44 44 PRO HG2 H 1.979 0.030 2 440 44 44 PRO HG3 H 2.098 0.030 2 441 44 44 PRO C C 178.052 0.300 1 442 44 44 PRO CA C 63.166 0.300 1 443 44 44 PRO CB C 32.943 0.300 1 444 44 44 PRO CD C 51.586 0.300 1 445 44 44 PRO CG C 27.985 0.300 1 446 45 45 VAL H H 8.773 0.030 1 447 45 45 VAL HA H 3.578 0.030 1 448 45 45 VAL HB H 2.054 0.030 1 449 45 45 VAL HG1 H 0.941 0.030 1 450 45 45 VAL HG2 H 1.028 0.030 1 451 45 45 VAL C C 179.506 0.300 1 452 45 45 VAL CA C 67.480 0.300 1 453 45 45 VAL CB C 32.015 0.300 1 454 45 45 VAL CG1 C 21.177 0.300 2 455 45 45 VAL CG2 C 21.788 0.300 2 456 45 45 VAL N N 123.100 0.300 1 457 46 46 ARG H H 8.709 0.030 1 458 46 46 ARG HA H 4.176 0.030 1 459 46 46 ARG HB2 H 1.857 0.030 2 460 46 46 ARG HB3 H 1.898 0.030 2 461 46 46 ARG HD2 H 3.213 0.030 1 462 46 46 ARG HD3 H 3.213 0.030 1 463 46 46 ARG HG2 H 1.615 0.030 2 464 46 46 ARG HG3 H 1.660 0.030 2 465 46 46 ARG C C 176.526 0.300 1 466 46 46 ARG CA C 58.261 0.300 1 467 46 46 ARG CB C 29.724 0.300 1 468 46 46 ARG CD C 43.281 0.300 1 469 46 46 ARG CG C 27.409 0.300 1 470 46 46 ARG N N 116.317 0.300 1 471 47 47 GLN H H 7.694 0.030 1 472 47 47 GLN HA H 4.430 0.030 1 473 47 47 GLN HB2 H 1.798 0.030 2 474 47 47 GLN HB3 H 2.592 0.030 2 475 47 47 GLN HE21 H 6.755 0.030 2 476 47 47 GLN HE22 H 7.635 0.030 2 477 47 47 GLN HG2 H 2.116 0.030 2 478 47 47 GLN HG3 H 2.372 0.030 2 479 47 47 GLN C C 175.024 0.300 1 480 47 47 GLN CA C 55.763 0.300 1 481 47 47 GLN CB C 31.274 0.300 1 482 47 47 GLN CG C 36.299 0.300 1 483 47 47 GLN N N 114.958 0.300 1 484 47 47 GLN NE2 N 110.133 0.300 1 485 48 48 GLN H H 7.390 0.030 1 486 48 48 GLN HA H 4.126 0.030 1 487 48 48 GLN HB2 H 1.807 0.030 2 488 48 48 GLN HB3 H 1.902 0.030 2 489 48 48 GLN HE21 H 6.574 0.030 2 490 48 48 GLN HE22 H 6.375 0.030 2 491 48 48 GLN HG2 H 2.636 0.030 2 492 48 48 GLN HG3 H 1.665 0.030 2 493 48 48 GLN C C 176.381 0.300 1 494 48 48 GLN CA C 57.346 0.300 1 495 48 48 GLN CB C 30.791 0.300 1 496 48 48 GLN CG C 33.495 0.300 1 497 48 48 GLN N N 117.770 0.300 1 498 48 48 GLN NE2 N 103.400 0.300 1 499 49 49 ARG H H 8.649 0.030 1 500 49 49 ARG HA H 4.494 0.030 1 501 49 49 ARG HB2 H 1.609 0.030 2 502 49 49 ARG HB3 H 1.795 0.030 2 503 49 49 ARG HD2 H 3.115 0.030 2 504 49 49 ARG HG2 H 1.337 0.030 2 505 49 49 ARG HG3 H 1.592 0.030 2 506 49 49 ARG C C 174.103 0.300 1 507 49 49 ARG CA C 55.306 0.300 1 508 49 49 ARG CB C 31.538 0.300 1 509 49 49 ARG CD C 43.856 0.300 1 510 49 49 ARG CG C 26.998 0.300 1 511 49 49 ARG N N 124.399 0.300 1 512 50 50 LEU H H 8.638 0.030 1 513 50 50 LEU HA H 5.210 0.030 1 514 50 50 LEU HB2 H 1.143 0.030 2 515 50 50 LEU HB3 H 1.527 0.030 2 516 50 50 LEU HD1 H 0.764 0.030 1 517 50 50 LEU HD2 H 0.796 0.030 1 518 50 50 LEU HG H 1.524 0.030 1 519 50 50 LEU C C 175.097 0.300 1 520 50 50 LEU CA C 52.877 0.300 1 521 50 50 LEU CB C 45.270 0.300 1 522 50 50 LEU CD1 C 26.777 0.300 2 523 50 50 LEU CD2 C 24.736 0.300 2 524 50 50 LEU CG C 26.916 0.300 1 525 50 50 LEU N N 125.605 0.300 1 526 51 51 LEU H H 9.192 0.030 1 527 51 51 LEU HA H 5.186 0.030 1 528 51 51 LEU HB2 H 1.194 0.030 2 529 51 51 LEU HB3 H 1.707 0.030 2 530 51 51 LEU HD1 H 0.763 0.030 1 531 51 51 LEU HD2 H 0.605 0.030 1 532 51 51 LEU HG H 1.395 0.030 1 533 51 51 LEU C C 176.235 0.300 1 534 51 51 LEU CA C 53.758 0.300 1 535 51 51 LEU CB C 46.488 0.300 1 536 51 51 LEU CD1 C 26.012 0.300 2 537 51 51 LEU CD2 C 24.367 0.300 2 538 51 51 LEU CG C 27.693 0.300 1 539 51 51 LEU N N 121.698 0.300 1 540 52 52 PHE H H 8.831 0.030 1 541 52 52 PHE HA H 5.174 0.030 1 542 52 52 PHE HB2 H 2.795 0.030 1 543 52 52 PHE HB3 H 2.795 0.030 1 544 52 52 PHE HD1 H 7.328 0.030 1 545 52 52 PHE HD2 H 7.328 0.030 1 546 52 52 PHE HE1 H 7.520 0.030 1 547 52 52 PHE HE2 H 7.520 0.030 1 548 52 52 PHE HZ H 7.470 0.030 1 549 52 52 PHE C C 174.903 0.300 1 550 52 52 PHE CA C 55.798 0.300 1 551 52 52 PHE CB C 42.648 0.300 1 552 52 52 PHE CD1 C 131.938 0.300 1 553 52 52 PHE CD2 C 131.938 0.300 1 554 52 52 PHE CE1 C 132.348 0.300 1 555 52 52 PHE CE2 C 132.348 0.300 1 556 52 52 PHE CZ C 130.252 0.300 1 557 52 52 PHE N N 119.932 0.300 1 558 53 53 LYS H H 9.242 0.030 1 559 53 53 LYS HA H 3.629 0.030 1 560 53 53 LYS HB2 H 1.391 0.030 2 561 53 53 LYS HB3 H 1.652 0.030 2 562 53 53 LYS HD2 H 1.397 0.030 2 563 53 53 LYS HD3 H 1.325 0.030 2 564 53 53 LYS HE2 H 2.867 0.030 2 565 53 53 LYS HE3 H 2.797 0.030 2 566 53 53 LYS HG2 H 0.189 0.030 2 567 53 53 LYS HG3 H 0.728 0.030 2 568 53 53 LYS C C 176.720 0.300 1 569 53 53 LYS CA C 57.346 0.300 1 570 53 53 LYS CB C 29.959 0.300 1 571 53 53 LYS CD C 29.497 0.300 1 572 53 53 LYS CE C 42.129 0.300 1 573 53 53 LYS CG C 24.614 0.300 1 574 53 53 LYS N N 127.791 0.300 1 575 54 54 GLY H H 8.556 0.030 1 576 54 54 GLY HA2 H 3.484 0.030 2 577 54 54 GLY HA3 H 4.153 0.030 2 578 54 54 GLY C C 173.473 0.300 1 579 54 54 GLY CA C 45.313 0.300 1 580 54 54 GLY N N 103.247 0.300 1 581 55 55 LYS H H 7.830 0.030 1 582 55 55 LYS HA H 4.573 0.030 1 583 55 55 LYS HB2 H 1.944 0.030 1 584 55 55 LYS HB3 H 1.944 0.030 1 585 55 55 LYS HD2 H 1.865 0.030 1 586 55 55 LYS HD3 H 1.865 0.030 1 587 55 55 LYS HE2 H 3.153 0.030 1 588 55 55 LYS HE3 H 3.153 0.030 1 589 55 55 LYS HG2 H 1.522 0.030 1 590 55 55 LYS HG3 H 1.522 0.030 1 591 55 55 LYS C C 175.097 0.300 1 592 55 55 LYS CA C 54.743 0.300 1 593 55 55 LYS CB C 33.988 0.300 1 594 55 55 LYS CD C 29.136 0.300 1 595 55 55 LYS CE C 42.293 0.300 1 596 55 55 LYS CG C 24.778 0.300 1 597 55 55 LYS N N 122.076 0.300 1 598 56 56 ALA H H 8.569 0.030 1 599 56 56 ALA HA H 4.707 0.030 1 600 56 56 ALA HB H 1.274 0.030 1 601 56 56 ALA C C 177.568 0.300 1 602 56 56 ALA CA C 51.717 0.300 1 603 56 56 ALA CB C 18.520 0.300 1 604 56 56 ALA N N 126.538 0.300 1 605 57 57 LEU H H 8.471 0.030 1 606 57 57 LEU HA H 3.879 0.030 1 607 57 57 LEU HB2 H 1.056 0.030 2 608 57 57 LEU HB3 H 1.394 0.030 2 609 57 57 LEU HD1 H 0.432 0.030 1 610 57 57 LEU HD2 H -0.096 0.030 1 611 57 57 LEU HG H 1.314 0.030 1 612 57 57 LEU C C 176.090 0.300 1 613 57 57 LEU CA C 54.286 0.300 1 614 57 57 LEU CB C 42.047 0.300 1 615 57 57 LEU CD1 C 25.644 0.300 2 616 57 57 LEU CD2 C 20.926 0.300 2 617 57 57 LEU CG C 26.574 0.300 1 618 57 57 LEU N N 122.591 0.300 1 619 58 58 ALA H H 8.419 0.030 1 620 58 58 ALA HA H 4.519 0.030 1 621 58 58 ALA HB H 1.481 0.030 1 622 58 58 ALA C C 177.447 0.300 1 623 58 58 ALA CA C 51.576 0.300 1 624 58 58 ALA CB C 20.147 0.300 1 625 58 58 ALA N N 127.039 0.300 1 626 59 59 ASP H H 8.166 0.030 1 627 59 59 ASP HA H 4.129 0.030 1 628 59 59 ASP HB2 H 2.524 0.030 2 629 59 59 ASP HB3 H 2.561 0.030 2 630 59 59 ASP C C 176.502 0.300 1 631 59 59 ASP CA C 57.382 0.300 1 632 59 59 ASP CB C 41.225 0.300 1 633 59 59 ASP N N 120.799 0.300 1 634 60 60 GLY H H 8.432 0.030 1 635 60 60 GLY HA2 H 3.991 0.030 2 636 60 60 GLY HA3 H 4.119 0.030 2 637 60 60 GLY C C 174.685 0.300 1 638 60 60 GLY CA C 44.915 0.300 1 639 60 60 GLY N N 105.920 0.300 1 640 61 61 LYS H H 7.563 0.030 1 641 61 61 LYS HA H 4.673 0.030 1 642 61 61 LYS HB2 H 2.252 0.030 2 643 61 61 LYS HB3 H 2.395 0.030 2 644 61 61 LYS HD2 H 1.667 0.030 1 645 61 61 LYS HD3 H 1.667 0.030 1 646 61 61 LYS HE2 H 2.874 0.030 1 647 61 61 LYS HE3 H 2.874 0.030 1 648 61 61 LYS HG2 H 1.393 0.030 2 649 61 61 LYS HG3 H 1.672 0.030 2 650 61 61 LYS C C 174.903 0.300 1 651 61 61 LYS CA C 54.426 0.300 1 652 61 61 LYS CB C 34.482 0.300 1 653 61 61 LYS CD C 28.137 0.300 1 654 61 61 LYS CE C 42.376 0.300 1 655 61 61 LYS CG C 25.683 0.300 1 656 61 61 LYS N N 119.689 0.300 1 657 62 62 ARG H H 9.219 0.030 1 658 62 62 ARG HA H 5.286 0.030 1 659 62 62 ARG HB2 H 1.493 0.030 2 660 62 62 ARG HB3 H 1.647 0.030 2 661 62 62 ARG HD2 H 3.125 0.030 2 662 62 62 ARG HD3 H 3.359 0.030 2 663 62 62 ARG HE H 7.229 0.030 1 664 62 62 ARG HG2 H 1.593 0.030 2 665 62 62 ARG HG3 H 1.708 0.030 2 666 62 62 ARG C C 179.579 0.300 1 667 62 62 ARG CA C 54.621 0.300 1 668 62 62 ARG CB C 33.805 0.300 1 669 62 62 ARG CD C 43.198 0.300 1 670 62 62 ARG CG C 29.383 0.300 1 671 62 62 ARG N N 118.821 0.300 1 672 62 62 ARG NE N 85.306 0.300 1 673 63 63 LEU H H 9.186 0.030 1 674 63 63 LEU HA H 3.970 0.030 1 675 63 63 LEU HB2 H 1.298 0.030 2 676 63 63 LEU HB3 H 2.061 0.030 2 677 63 63 LEU HD1 H 0.662 0.030 1 678 63 63 LEU HD2 H 0.598 0.030 1 679 63 63 LEU HG H 1.951 0.030 1 680 63 63 LEU C C 179.118 0.300 1 681 63 63 LEU CA C 58.895 0.300 1 682 63 63 LEU CB C 39.958 0.300 1 683 63 63 LEU CD1 C 27.230 0.300 2 684 63 63 LEU CD2 C 22.513 0.300 2 685 63 63 LEU CG C 26.323 0.300 1 686 63 63 LEU N N 119.420 0.300 1 687 64 64 SER H H 7.430 0.030 1 688 64 64 SER HA H 4.331 0.030 1 689 64 64 SER HB2 H 3.749 0.030 2 690 64 64 SER HB3 H 3.964 0.030 2 691 64 64 SER C C 178.416 0.300 1 692 64 64 SER CA C 59.704 0.300 1 693 64 64 SER CB C 61.825 0.300 1 694 64 64 SER N N 108.772 0.300 1 695 65 65 ASP H H 7.787 0.030 1 696 65 65 ASP HA H 4.472 0.030 1 697 65 65 ASP HB2 H 2.387 0.030 2 698 65 65 ASP HB3 H 2.825 0.030 2 699 65 65 ASP C C 176.332 0.300 1 700 65 65 ASP CA C 57.276 0.300 1 701 65 65 ASP CB C 40.567 0.300 1 702 65 65 ASP N N 123.424 0.300 1 703 66 66 TYR H H 7.438 0.030 1 704 66 66 TYR HA H 4.652 0.030 1 705 66 66 TYR HB2 H 2.564 0.030 2 706 66 66 TYR HB3 H 3.395 0.030 2 707 66 66 TYR HD1 H 7.211 0.030 1 708 66 66 TYR HD2 H 7.211 0.030 1 709 66 66 TYR HE1 H 6.823 0.030 1 710 66 66 TYR HE2 H 6.823 0.030 1 711 66 66 TYR C C 174.782 0.300 1 712 66 66 TYR CA C 57.487 0.300 1 713 66 66 TYR CB C 40.124 0.300 1 714 66 66 TYR CD1 C 133.883 0.300 1 715 66 66 TYR CD2 C 133.883 0.300 1 716 66 66 TYR CE1 C 118.464 0.300 1 717 66 66 TYR CE2 C 118.464 0.300 1 718 66 66 TYR N N 116.549 0.300 1 719 67 67 SER H H 7.637 0.030 1 720 67 67 SER HA H 4.032 0.030 1 721 67 67 SER HB2 H 4.136 0.030 1 722 67 67 SER HB3 H 4.136 0.030 1 723 67 67 SER C C 173.716 0.300 1 724 67 67 SER CA C 58.930 0.300 1 725 67 67 SER CB C 61.157 0.300 1 726 67 67 SER N N 110.746 0.300 1 727 68 68 ILE H H 6.706 0.030 1 728 68 68 ILE HA H 3.331 0.030 1 729 68 68 ILE HB H 1.320 0.030 1 730 68 68 ILE HD1 H 0.449 0.030 1 731 68 68 ILE HG12 H 1.072 0.030 2 732 68 68 ILE HG13 H -0.789 0.030 2 733 68 68 ILE HG2 H 0.484 0.030 1 734 68 68 ILE C C 174.685 0.300 1 735 68 68 ILE CA C 61.921 0.300 1 736 68 68 ILE CB C 37.278 0.300 1 737 68 68 ILE CD1 C 15.097 0.300 1 738 68 68 ILE CG1 C 27.574 0.300 1 739 68 68 ILE CG2 C 17.374 0.300 1 740 68 68 ILE N N 119.961 0.300 1 741 69 69 GLY H H 7.730 0.030 1 742 69 69 GLY HA2 H 3.746 0.030 2 743 69 69 GLY HA3 H 4.621 0.030 2 744 69 69 GLY C C 172.141 0.300 1 745 69 69 GLY CA C 43.976 0.300 1 746 69 69 GLY N N 114.862 0.300 1 747 70 70 PRO HA H 4.295 0.030 1 748 70 70 PRO HB2 H 1.929 0.030 2 749 70 70 PRO HB3 H 2.501 0.030 2 750 70 70 PRO HD2 H 3.584 0.030 2 751 70 70 PRO HD3 H 3.723 0.030 2 752 70 70 PRO HG2 H 1.987 0.030 2 753 70 70 PRO HG3 H 2.138 0.030 2 754 70 70 PRO C C 176.865 0.300 1 755 70 70 PRO CA C 64.489 0.300 1 756 70 70 PRO CB C 32.408 0.300 1 757 70 70 PRO CD C 49.777 0.300 1 758 70 70 PRO CG C 27.738 0.300 1 759 71 71 ASN H H 9.109 0.030 1 760 71 71 ASN HA H 4.360 0.030 1 761 71 71 ASN HB2 H 3.037 0.030 2 762 71 71 ASN HB3 H 3.088 0.030 2 763 71 71 ASN HD21 H 7.016 0.030 2 764 71 71 ASN HD22 H 7.662 0.030 2 765 71 71 ASN C C 175.315 0.300 1 766 71 71 ASN CA C 54.743 0.300 1 767 71 71 ASN CB C 36.960 0.300 1 768 71 71 ASN N N 116.029 0.300 1 769 71 71 ASN ND2 N 114.226 0.300 1 770 72 72 SER H H 7.947 0.030 1 771 72 72 SER HA H 4.589 0.030 1 772 72 72 SER HB2 H 3.710 0.030 2 773 72 72 SER HB3 H 3.788 0.030 2 774 72 72 SER C C 171.777 0.300 1 775 72 72 SER CA C 60.971 0.300 1 776 72 72 SER CB C 64.482 0.300 1 777 72 72 SER N N 115.890 0.300 1 778 73 73 LYS H H 8.679 0.030 1 779 73 73 LYS HA H 5.211 0.030 1 780 73 73 LYS HB2 H 1.718 0.030 2 781 73 73 LYS HB3 H 1.798 0.030 2 782 73 73 LYS HD2 H 1.654 0.030 2 783 73 73 LYS HD3 H 1.866 0.030 2 784 73 73 LYS HE2 H 2.978 0.030 2 785 73 73 LYS HG2 H 1.436 0.030 2 786 73 73 LYS HG3 H 1.296 0.030 2 787 73 73 LYS C C 175.315 0.300 1 788 73 73 LYS CA C 54.919 0.300 1 789 73 73 LYS CB C 33.824 0.300 1 790 73 73 LYS CD C 29.630 0.300 1 791 73 73 LYS CE C 42.212 0.300 1 792 73 73 LYS CG C 24.962 0.300 1 793 73 73 LYS N N 122.313 0.300 1 794 74 74 LEU H H 9.106 0.030 1 795 74 74 LEU HA H 5.111 0.030 1 796 74 74 LEU HB2 H 1.532 0.030 2 797 74 74 LEU HB3 H 1.644 0.030 2 798 74 74 LEU HD1 H 0.723 0.030 1 799 74 74 LEU HD2 H 0.771 0.030 1 800 74 74 LEU HG H 1.749 0.030 1 801 74 74 LEU C C 175.848 0.300 1 802 74 74 LEU CA C 53.511 0.300 1 803 74 74 LEU CB C 44.428 0.300 1 804 74 74 LEU CD1 C 26.094 0.300 2 805 74 74 LEU CD2 C 25.564 0.300 2 806 74 74 LEU CG C 28.807 0.300 1 807 74 74 LEU N N 124.043 0.300 1 808 75 75 ASN H H 8.949 0.030 1 809 75 75 ASN HA H 5.508 0.030 1 810 75 75 ASN HB2 H 2.508 0.030 2 811 75 75 ASN HB3 H 2.785 0.030 2 812 75 75 ASN HD21 H 6.967 0.030 2 813 75 75 ASN HD22 H 7.530 0.030 2 814 75 75 ASN C C 173.110 0.300 1 815 75 75 ASN CA C 52.878 0.300 1 816 75 75 ASN CB C 41.718 0.300 1 817 75 75 ASN N N 119.168 0.300 1 818 75 75 ASN ND2 N 111.587 0.300 1 819 76 76 LEU H H 8.531 0.030 1 820 76 76 LEU HA H 5.114 0.030 1 821 76 76 LEU HB2 H 0.982 0.030 2 822 76 76 LEU HB3 H 1.481 0.030 2 823 76 76 LEU HD1 H 0.740 0.030 1 824 76 76 LEU HD2 H 0.628 0.030 1 825 76 76 LEU HG H 1.296 0.030 1 826 76 76 LEU C C 174.903 0.300 1 827 76 76 LEU CA C 53.687 0.300 1 828 76 76 LEU CB C 44.009 0.300 1 829 76 76 LEU CD1 C 24.055 0.300 2 830 76 76 LEU CD2 C 26.587 0.300 2 831 76 76 LEU CG C 27.457 0.300 1 832 76 76 LEU N N 123.931 0.300 1 833 77 77 VAL H H 9.299 0.030 1 834 77 77 VAL HA H 4.242 0.030 1 835 77 77 VAL HB H 1.929 0.030 1 836 77 77 VAL HG1 H 0.899 0.030 1 837 77 77 VAL HG2 H 0.899 0.030 1 838 77 77 VAL C C 173.885 0.300 1 839 77 77 VAL CA C 61.393 0.300 1 840 77 77 VAL CB C 34.482 0.300 1 841 77 77 VAL CG1 C 21.335 0.300 2 842 77 77 VAL CG2 C 21.489 0.300 2 843 77 77 VAL N N 130.099 0.300 1 844 78 78 VAL H H 8.410 0.030 1 845 78 78 VAL HA H 4.448 0.030 1 846 78 78 VAL HB H 1.979 0.030 1 847 78 78 VAL HG1 H 0.890 0.030 1 848 78 78 VAL HG2 H 0.893 0.030 1 849 78 78 VAL C C 176.478 0.300 1 850 78 78 VAL CA C 61.850 0.300 1 851 78 78 VAL CB C 32.097 0.300 1 852 78 78 VAL CG1 C 21.816 0.300 2 853 78 78 VAL CG2 C 21.490 0.300 2 854 78 78 VAL N N 125.800 0.300 1 855 79 79 LYS H H 9.171 0.030 1 856 79 79 LYS HA H 4.567 0.030 1 857 79 79 LYS HB2 H 1.806 0.030 2 858 79 79 LYS HB3 H 1.600 0.030 2 859 79 79 LYS HD2 H 1.602 0.030 2 860 79 79 LYS HD3 H 1.705 0.030 2 861 79 79 LYS HE2 H 3.109 0.030 2 862 79 79 LYS HG2 H 1.388 0.030 2 863 79 79 LYS C C 173.861 0.300 1 864 79 79 LYS CA C 53.969 0.300 1 865 79 79 LYS CB C 32.837 0.300 1 866 79 79 LYS CD C 29.271 0.300 1 867 79 79 LYS CE C 42.630 0.300 1 868 79 79 LYS CG C 24.799 0.300 1 869 79 79 LYS N N 130.826 0.300 1 870 80 80 PRO HA H 4.415 0.030 1 871 80 80 PRO HB2 H 1.982 0.030 2 872 80 80 PRO HB3 H 2.269 0.030 2 873 80 80 PRO HD2 H 3.670 0.030 2 874 80 80 PRO HD3 H 3.855 0.030 2 875 80 80 PRO HG2 H 1.999 0.030 2 876 80 80 PRO HG3 H 2.036 0.030 2 877 80 80 PRO C C 176.017 0.300 1 878 80 80 PRO CA C 62.906 0.300 1 879 80 80 PRO CB C 32.015 0.300 1 880 80 80 PRO CD C 50.629 0.300 1 881 80 80 PRO CG C 27.327 0.300 1 882 81 81 LEU H H 7.858 0.030 1 883 81 81 LEU HA H 4.064 0.030 1 884 81 81 LEU HB2 H 1.534 0.030 1 885 81 81 LEU HB3 H 1.534 0.030 1 886 81 81 LEU HD1 H 0.833 0.030 1 887 81 81 LEU HD2 H 0.877 0.030 1 888 81 81 LEU HG H 1.593 0.030 1 889 81 81 LEU C C 182.486 0.300 1 890 81 81 LEU CA C 57.017 0.300 1 891 81 81 LEU CB C 43.406 0.300 1 892 81 81 LEU CD1 C 23.873 0.300 2 893 81 81 LEU CD2 C 25.228 0.300 2 894 81 81 LEU CG C 27.266 0.300 1 895 81 81 LEU N N 127.211 0.300 1 stop_ save_