data_11268 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal Ubiquitin-like Domain in Mouse Ubiquitin-like Protein SB132 ; _BMRB_accession_number 11268 _BMRB_flat_file_name bmr11268.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 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 603 "13C chemical shifts" 461 "15N chemical shifts" 99 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 ; Solution Structure of the N-terminal Ubiquitin-like Domain in Mouse Ubiquitin-like Protein SB132 ; _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 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ubiquitin-like protein SB132' _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 107 _Mol_residue_sequence ; GSSGSSGMSLSDWHLAVKLA DQPLAPKSILQLPETELGEY SLGGYSISFLKQLIAGKLQE SVPDPELIDLIYCGRKLKDD QTLDFYGIQPGSTVHVLRKS WSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 SER 10 LEU 11 SER 12 ASP 13 TRP 14 HIS 15 LEU 16 ALA 17 VAL 18 LYS 19 LEU 20 ALA 21 ASP 22 GLN 23 PRO 24 LEU 25 ALA 26 PRO 27 LYS 28 SER 29 ILE 30 LEU 31 GLN 32 LEU 33 PRO 34 GLU 35 THR 36 GLU 37 LEU 38 GLY 39 GLU 40 TYR 41 SER 42 LEU 43 GLY 44 GLY 45 TYR 46 SER 47 ILE 48 SER 49 PHE 50 LEU 51 LYS 52 GLN 53 LEU 54 ILE 55 ALA 56 GLY 57 LYS 58 LEU 59 GLN 60 GLU 61 SER 62 VAL 63 PRO 64 ASP 65 PRO 66 GLU 67 LEU 68 ILE 69 ASP 70 LEU 71 ILE 72 TYR 73 CYS 74 GLY 75 ARG 76 LYS 77 LEU 78 LYS 79 ASP 80 ASP 81 GLN 82 THR 83 LEU 84 ASP 85 PHE 86 TYR 87 GLY 88 ILE 89 GLN 90 PRO 91 GLY 92 SER 93 THR 94 VAL 95 HIS 96 VAL 97 LEU 98 ARG 99 LYS 100 SER 101 TRP 102 SER 103 GLY 104 PRO 105 SER 106 SER 107 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1X1M "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In Mouse Ubiquitin-Like Protein Sb132" 100.00 107 100.00 100.00 3.14e-68 DBJ BAB26033 "unnamed protein product [Mus musculus]" 90.65 380 96.91 96.91 1.02e-57 DBJ BAE32627 "unnamed protein product [Mus musculus]" 90.65 380 97.94 97.94 1.13e-58 GB AAH16456 "Ubiquitin-like 7 (bone marrow stromal cell-derived) [Mus musculus]" 90.65 380 97.94 97.94 1.13e-58 GB AAH79221 "Ubiquitin-like 7 (bone marrow stromal cell-derived) [Rattus norvegicus]" 90.65 381 97.94 97.94 1.01e-58 GB AAH94047 "Ubiquitin-like 7 (bone marrow stromal cell-derived) [Mus musculus]" 90.65 380 97.94 97.94 1.13e-58 GB AAI12530 "Ubiquitin-like 7 (bone marrow stromal cell-derived) [Bos taurus]" 90.65 380 96.91 97.94 3.18e-58 GB AAX08728 "bone marrow stromal cell-derived ubiquitin-like protein [Bos taurus]" 90.65 380 96.91 97.94 3.18e-58 REF NP_001004247 "ubiquitin-like protein 7 [Rattus norvegicus]" 90.65 381 97.94 97.94 1.01e-58 REF NP_001015573 "ubiquitin-like protein 7 [Bos taurus]" 90.65 380 96.91 97.94 3.18e-58 REF NP_001116345 "ubiquitin-like protein 7 [Mus musculus]" 90.65 380 97.94 97.94 1.11e-58 REF NP_081362 "ubiquitin-like protein 7 [Mus musculus]" 90.65 380 97.94 97.94 1.11e-58 REF XP_001135544 "PREDICTED: ubiquitin-like protein 7 isoform X3 [Pan troglodytes]" 90.65 380 96.91 97.94 3.32e-58 SP Q2KIS3 "RecName: Full=Ubiquitin-like protein 7" 90.65 380 96.91 97.94 3.18e-58 SP Q91W67 "RecName: Full=Ubiquitin-like protein 7" 90.65 380 97.94 97.94 1.11e-58 TPG DAA17515 "TPA: ubiquitin-like protein 7 [Bos taurus]" 90.65 380 96.91 97.94 3.18e-58 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 P050111-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.35mM protein U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.35 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 20020425 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 0.921 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' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298.0 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 4.442 0.030 1 2 6 6 SER HB2 H 3.884 0.030 1 3 6 6 SER HB3 H 3.884 0.030 1 4 6 6 SER C C 175.060 0.300 1 5 6 6 SER CA C 58.749 0.300 1 6 6 6 SER CB C 63.910 0.300 1 7 7 7 GLY H H 8.399 0.030 1 8 7 7 GLY HA2 H 3.938 0.030 1 9 7 7 GLY HA3 H 3.938 0.030 1 10 7 7 GLY C C 173.983 0.300 1 11 7 7 GLY CA C 45.418 0.300 1 12 7 7 GLY N N 110.673 0.300 1 13 8 8 MET H H 8.110 0.030 1 14 8 8 MET HA H 4.480 0.030 1 15 8 8 MET HB2 H 1.942 0.030 2 16 8 8 MET HB3 H 2.008 0.030 2 17 8 8 MET HE H 1.974 0.030 1 18 8 8 MET HG2 H 2.463 0.030 1 19 8 8 MET HG3 H 2.463 0.030 1 20 8 8 MET C C 176.114 0.300 1 21 8 8 MET CA C 55.408 0.300 1 22 8 8 MET CB C 33.164 0.300 1 23 8 8 MET CE C 16.963 0.300 1 24 8 8 MET CG C 31.931 0.300 1 25 8 8 MET N N 119.743 0.300 1 26 9 9 SER H H 8.529 0.030 1 27 9 9 SER HA H 4.492 0.030 1 28 9 9 SER HB2 H 3.846 0.030 1 29 9 9 SER HB3 H 3.846 0.030 1 30 9 9 SER C C 174.668 0.300 1 31 9 9 SER CA C 57.905 0.300 1 32 9 9 SER CB C 63.910 0.300 1 33 9 9 SER N N 117.950 0.300 1 34 10 10 LEU H H 8.474 0.030 1 35 10 10 LEU HA H 4.329 0.030 1 36 10 10 LEU HB2 H 1.630 0.030 2 37 10 10 LEU HB3 H 1.529 0.030 2 38 10 10 LEU HD1 H 0.830 0.030 1 39 10 10 LEU HD2 H 0.762 0.030 1 40 10 10 LEU HG H 1.603 0.030 1 41 10 10 LEU C C 177.779 0.300 1 42 10 10 LEU CA C 55.759 0.300 1 43 10 10 LEU CB C 42.289 0.300 1 44 10 10 LEU CG C 26.842 0.300 1 45 10 10 LEU N N 124.525 0.300 1 46 11 11 SER H H 8.300 0.030 1 47 11 11 SER HA H 4.388 0.030 1 48 11 11 SER HB2 H 3.902 0.030 2 49 11 11 SER HB3 H 3.761 0.030 2 50 11 11 SER C C 174.276 0.300 1 51 11 11 SER CA C 58.960 0.300 1 52 11 11 SER CB C 64.075 0.300 1 53 11 11 SER N N 115.659 0.300 1 54 12 12 ASP H H 8.175 0.030 1 55 12 12 ASP HA H 4.638 0.030 1 56 12 12 ASP HB2 H 2.680 0.030 2 57 12 12 ASP HB3 H 2.581 0.030 2 58 12 12 ASP C C 175.869 0.300 1 59 12 12 ASP CA C 54.704 0.300 1 60 12 12 ASP CB C 41.303 0.300 1 61 12 12 ASP N N 120.603 0.300 1 62 13 13 TRP H H 8.410 0.030 1 63 13 13 TRP HA H 4.468 0.030 1 64 13 13 TRP HB2 H 3.310 0.030 2 65 13 13 TRP HB3 H 3.080 0.030 2 66 13 13 TRP HD1 H 7.119 0.030 1 67 13 13 TRP HE1 H 9.743 0.030 1 68 13 13 TRP HE3 H 7.282 0.030 1 69 13 13 TRP HH2 H 7.046 0.030 1 70 13 13 TRP HZ2 H 7.372 0.030 1 71 13 13 TRP HZ3 H 6.825 0.030 1 72 13 13 TRP C C 174.252 0.300 1 73 13 13 TRP CA C 57.202 0.300 1 74 13 13 TRP CB C 29.629 0.300 1 75 13 13 TRP CD1 C 126.721 0.300 1 76 13 13 TRP CE3 C 120.421 0.300 1 77 13 13 TRP CH2 C 124.441 0.300 1 78 13 13 TRP CZ2 C 114.507 0.300 1 79 13 13 TRP CZ3 C 121.673 0.300 1 80 13 13 TRP N N 123.226 0.300 1 81 13 13 TRP NE1 N 127.851 0.300 1 82 14 14 HIS H H 7.536 0.030 1 83 14 14 HIS HA H 5.456 0.030 1 84 14 14 HIS HB2 H 2.890 0.030 2 85 14 14 HIS HB3 H 2.949 0.030 2 86 14 14 HIS HD2 H 6.510 0.030 1 87 14 14 HIS HE1 H 7.723 0.030 1 88 14 14 HIS C C 173.419 0.300 1 89 14 14 HIS CA C 54.755 0.300 1 90 14 14 HIS CB C 32.342 0.300 1 91 14 14 HIS CD2 C 117.790 0.300 1 92 14 14 HIS CE1 C 138.635 0.300 1 93 14 14 HIS N N 119.976 0.300 1 94 15 15 LEU H H 8.844 0.030 1 95 15 15 LEU HA H 4.680 0.030 1 96 15 15 LEU HB2 H 1.304 0.030 2 97 15 15 LEU HB3 H 1.438 0.030 2 98 15 15 LEU HD1 H 0.818 0.030 1 99 15 15 LEU HD2 H 0.713 0.030 1 100 15 15 LEU HG H 1.489 0.030 1 101 15 15 LEU C C 174.472 0.300 1 102 15 15 LEU CA C 53.578 0.300 1 103 15 15 LEU CB C 46.400 0.300 1 104 15 15 LEU CD1 C 25.025 0.300 2 105 15 15 LEU CD2 C 26.601 0.300 2 106 15 15 LEU CG C 27.092 0.300 1 107 15 15 LEU N N 119.742 0.300 1 108 16 16 ALA H H 8.836 0.030 1 109 16 16 ALA HA H 5.177 0.030 1 110 16 16 ALA HB H 1.282 0.030 1 111 16 16 ALA C C 175.771 0.300 1 112 16 16 ALA CA C 50.483 0.300 1 113 16 16 ALA CB C 20.591 0.300 1 114 16 16 ALA N N 125.060 0.300 1 115 17 17 VAL H H 9.055 0.030 1 116 17 17 VAL HA H 4.830 0.030 1 117 17 17 VAL HB H 1.788 0.030 1 118 17 17 VAL HG1 H 0.675 0.030 1 119 17 17 VAL HG2 H 0.668 0.030 1 120 17 17 VAL C C 175.207 0.300 1 121 17 17 VAL CA C 60.754 0.300 1 122 17 17 VAL CB C 33.904 0.300 1 123 17 17 VAL CG1 C 21.984 0.300 2 124 17 17 VAL CG2 C 20.960 0.300 2 125 17 17 VAL N N 120.724 0.300 1 126 18 18 LYS H H 8.466 0.030 1 127 18 18 LYS HA H 4.718 0.030 1 128 18 18 LYS HB2 H 1.557 0.030 2 129 18 18 LYS HB3 H 0.928 0.030 2 130 18 18 LYS HD2 H 1.495 0.030 2 131 18 18 LYS HD3 H 1.580 0.030 2 132 18 18 LYS HE2 H 3.001 0.030 1 133 18 18 LYS HE3 H 3.001 0.030 1 134 18 18 LYS HG2 H 1.127 0.030 1 135 18 18 LYS HG3 H 1.127 0.030 1 136 18 18 LYS C C 174.913 0.300 1 137 18 18 LYS CA C 53.543 0.300 1 138 18 18 LYS CB C 35.466 0.300 1 139 18 18 LYS CD C 28.805 0.300 1 140 18 18 LYS CE C 42.289 0.300 1 141 18 18 LYS CG C 25.272 0.300 1 142 18 18 LYS N N 126.856 0.300 1 143 19 19 LEU H H 9.083 0.030 1 144 19 19 LEU HA H 4.605 0.030 1 145 19 19 LEU HB2 H 1.830 0.030 2 146 19 19 LEU HB3 H 1.514 0.030 2 147 19 19 LEU HD1 H 0.683 0.030 1 148 19 19 LEU HD2 H 0.856 0.030 1 149 19 19 LEU HG H 1.675 0.030 1 150 19 19 LEU C C 177.461 0.300 1 151 19 19 LEU CA C 54.071 0.300 1 152 19 19 LEU CB C 40.542 0.300 1 153 19 19 LEU CD1 C 22.559 0.300 2 154 19 19 LEU CD2 C 25.129 0.300 2 155 19 19 LEU CG C 26.846 0.300 1 156 19 19 LEU N N 125.876 0.300 1 157 20 20 ALA H H 8.673 0.030 1 158 20 20 ALA HA H 4.089 0.030 1 159 20 20 ALA HB H 1.393 0.030 1 160 20 20 ALA C C 177.853 0.300 1 161 20 20 ALA CA C 54.634 0.300 1 162 20 20 ALA CB C 19.284 0.300 1 163 20 20 ALA N N 127.849 0.300 1 164 21 21 ASP H H 8.463 0.030 1 165 21 21 ASP HA H 4.538 0.030 1 166 21 21 ASP HB2 H 2.581 0.030 2 167 21 21 ASP HB3 H 2.713 0.030 2 168 21 21 ASP C C 175.526 0.300 1 169 21 21 ASP CA C 53.965 0.300 1 170 21 21 ASP CB C 40.645 0.300 1 171 21 21 ASP N N 112.271 0.300 1 172 22 22 GLN H H 7.241 0.030 1 173 22 22 GLN HA H 4.896 0.030 1 174 22 22 GLN HB2 H 2.150 0.030 2 175 22 22 GLN HB3 H 1.834 0.030 2 176 22 22 GLN HE21 H 6.798 0.030 2 177 22 22 GLN HE22 H 7.579 0.030 2 178 22 22 GLN HG2 H 2.241 0.030 1 179 22 22 GLN HG3 H 2.241 0.030 1 180 22 22 GLN C C 174.003 0.300 1 181 22 22 GLN CA C 53.412 0.300 1 182 22 22 GLN CB C 29.876 0.300 1 183 22 22 GLN CG C 33.221 0.300 1 184 22 22 GLN N N 117.253 0.300 1 185 22 22 GLN NE2 N 112.253 0.300 1 186 23 23 PRO HA H 4.345 0.030 1 187 23 23 PRO HB2 H 2.342 0.030 2 188 23 23 PRO HB3 H 1.933 0.030 2 189 23 23 PRO HD2 H 3.444 0.030 2 190 23 23 PRO HD3 H 3.665 0.030 2 191 23 23 PRO HG2 H 1.932 0.030 1 192 23 23 PRO HG3 H 1.932 0.030 1 193 23 23 PRO C C 177.828 0.300 1 194 23 23 PRO CA C 64.924 0.300 1 195 23 23 PRO CB C 32.177 0.300 1 196 23 23 PRO CD C 50.346 0.300 1 197 23 23 PRO CG C 27.245 0.300 1 198 24 24 LEU H H 8.652 0.030 1 199 24 24 LEU HA H 4.328 0.030 1 200 24 24 LEU HB2 H 1.587 0.030 2 201 24 24 LEU HB3 H 1.733 0.030 2 202 24 24 LEU HD1 H 0.866 0.030 1 203 24 24 LEU HD2 H 0.803 0.030 1 204 24 24 LEU HG H 1.562 0.030 1 205 24 24 LEU C C 177.657 0.300 1 206 24 24 LEU CA C 54.669 0.300 1 207 24 24 LEU CB C 40.974 0.300 1 208 24 24 LEU CD1 C 25.107 0.300 2 209 24 24 LEU CD2 C 22.395 0.300 2 210 24 24 LEU CG C 27.087 0.300 1 211 24 24 LEU N N 117.200 0.300 1 212 25 25 ALA H H 7.670 0.030 1 213 25 25 ALA HA H 4.532 0.030 1 214 25 25 ALA HB H 1.454 0.030 1 215 25 25 ALA C C 175.383 0.300 1 216 25 25 ALA CA C 50.694 0.300 1 217 25 25 ALA CB C 18.112 0.300 1 218 25 25 ALA N N 124.782 0.300 1 219 26 26 PRO HA H 4.452 0.030 1 220 26 26 PRO HB2 H 1.899 0.030 2 221 26 26 PRO HB3 H 2.299 0.030 2 222 26 26 PRO HD2 H 3.636 0.030 2 223 26 26 PRO HD3 H 3.839 0.030 2 224 26 26 PRO HG2 H 2.006 0.030 1 225 26 26 PRO HG3 H 2.006 0.030 1 226 26 26 PRO C C 177.216 0.300 1 227 26 26 PRO CA C 62.490 0.300 1 228 26 26 PRO CB C 32.240 0.300 1 229 26 26 PRO CD C 50.592 0.300 1 230 26 26 PRO CG C 27.333 0.300 1 231 27 27 LYS H H 8.495 0.030 1 232 27 27 LYS HA H 4.427 0.030 1 233 27 27 LYS HB2 H 1.587 0.030 2 234 27 27 LYS HB3 H 1.650 0.030 2 235 27 27 LYS HD2 H 1.563 0.030 2 236 27 27 LYS HD3 H 1.517 0.030 2 237 27 27 LYS HE2 H 2.883 0.030 2 238 27 27 LYS HE3 H 2.767 0.030 2 239 27 27 LYS HG2 H 1.286 0.030 1 240 27 27 LYS HG3 H 1.286 0.030 1 241 27 27 LYS C C 176.065 0.300 1 242 27 27 LYS CA C 56.463 0.300 1 243 27 27 LYS CB C 33.164 0.300 1 244 27 27 LYS CD C 29.786 0.300 1 245 27 27 LYS CE C 41.808 0.300 1 246 27 27 LYS CG C 24.807 0.300 1 247 27 27 LYS N N 121.096 0.300 1 248 28 28 SER H H 8.640 0.030 1 249 28 28 SER HA H 4.707 0.030 1 250 28 28 SER HB2 H 3.611 0.030 2 251 28 28 SER HB3 H 3.680 0.030 2 252 28 28 SER C C 173.003 0.300 1 253 28 28 SER CA C 57.905 0.300 1 254 28 28 SER CB C 65.029 0.300 1 255 28 28 SER N N 118.629 0.300 1 256 29 29 ILE H H 8.688 0.030 1 257 29 29 ILE HA H 4.543 0.030 1 258 29 29 ILE HB H 1.849 0.030 1 259 29 29 ILE HD1 H 0.604 0.030 1 260 29 29 ILE HG12 H 1.259 0.030 2 261 29 29 ILE HG13 H 1.324 0.030 2 262 29 29 ILE HG2 H 0.619 0.030 1 263 29 29 ILE C C 175.109 0.300 1 264 29 29 ILE CA C 59.523 0.300 1 265 29 29 ILE CB C 37.153 0.300 1 266 29 29 ILE CD1 C 10.570 0.300 1 267 29 29 ILE CG1 C 26.842 0.300 1 268 29 29 ILE CG2 C 17.626 0.300 1 269 29 29 ILE N N 124.188 0.300 1 270 30 30 LEU H H 9.162 0.030 1 271 30 30 LEU HA H 4.585 0.030 1 272 30 30 LEU HB2 H 1.623 0.030 2 273 30 30 LEU HB3 H 1.174 0.030 2 274 30 30 LEU HD1 H 0.709 0.030 1 275 30 30 LEU HD2 H 0.623 0.030 1 276 30 30 LEU HG H 1.377 0.030 1 277 30 30 LEU C C 174.938 0.300 1 278 30 30 LEU CA C 53.192 0.300 1 279 30 30 LEU CB C 44.729 0.300 1 280 30 30 LEU CD1 C 25.125 0.300 2 281 30 30 LEU CD2 C 26.111 0.300 2 282 30 30 LEU CG C 27.043 0.300 1 283 30 30 LEU N N 130.095 0.300 1 284 31 31 GLN H H 8.655 0.030 1 285 31 31 GLN HA H 4.530 0.030 1 286 31 31 GLN HB2 H 1.945 0.030 2 287 31 31 GLN HB3 H 2.088 0.030 2 288 31 31 GLN HE21 H 6.904 0.030 2 289 31 31 GLN HE22 H 7.715 0.030 2 290 31 31 GLN HG2 H 2.309 0.030 2 291 31 31 GLN HG3 H 2.264 0.030 2 292 31 31 GLN C C 175.550 0.300 1 293 31 31 GLN CA C 55.302 0.300 1 294 31 31 GLN CB C 29.786 0.300 1 295 31 31 GLN CG C 33.986 0.300 1 296 31 31 GLN N N 125.157 0.300 1 297 31 31 GLN NE2 N 112.499 0.300 1 298 32 32 LEU H H 8.342 0.030 1 299 32 32 LEU HA H 4.476 0.030 1 300 32 32 LEU HB2 H 1.365 0.030 2 301 32 32 LEU HB3 H 1.181 0.030 2 302 32 32 LEU HD1 H 0.472 0.030 1 303 32 32 LEU HD2 H 0.273 0.030 1 304 32 32 LEU HG H 1.384 0.030 1 305 32 32 LEU C C 174.535 0.300 1 306 32 32 LEU CA C 52.840 0.300 1 307 32 32 LEU CB C 40.581 0.300 1 308 32 32 LEU CD1 C 22.922 0.300 2 309 32 32 LEU CD2 C 25.129 0.300 2 310 32 32 LEU CG C 27.578 0.300 1 311 32 32 LEU N N 125.365 0.300 1 312 33 33 PRO HA H 4.600 0.030 1 313 33 33 PRO HB2 H 2.068 0.030 2 314 33 33 PRO HB3 H 2.343 0.030 2 315 33 33 PRO HD2 H 3.749 0.030 2 316 33 33 PRO HD3 H 3.489 0.030 2 317 33 33 PRO HG2 H 2.135 0.030 1 318 33 33 PRO HG3 H 2.135 0.030 1 319 33 33 PRO C C 176.750 0.300 1 320 33 33 PRO CA C 62.633 0.300 1 321 33 33 PRO CB C 32.177 0.300 1 322 33 33 PRO CD C 50.510 0.300 1 323 33 33 PRO CG C 27.409 0.300 1 324 34 34 GLU H H 8.668 0.030 1 325 34 34 GLU HA H 4.151 0.030 1 326 34 34 GLU HB2 H 1.873 0.030 2 327 34 34 GLU HB3 H 1.974 0.030 2 328 34 34 GLU HG2 H 2.158 0.030 1 329 34 34 GLU HG3 H 2.158 0.030 1 330 34 34 GLU C C 176.824 0.300 1 331 34 34 GLU CA C 56.532 0.300 1 332 34 34 GLU CB C 30.035 0.300 1 333 34 34 GLU CG C 36.370 0.300 1 334 34 34 GLU N N 122.049 0.300 1 335 35 35 THR H H 8.116 0.030 1 336 35 35 THR HA H 4.399 0.030 1 337 35 35 THR HB H 4.266 0.030 1 338 35 35 THR HG2 H 1.036 0.030 1 339 35 35 THR C C 175.085 0.300 1 340 35 35 THR CA C 61.218 0.300 1 341 35 35 THR CB C 70.222 0.300 1 342 35 35 THR CG2 C 21.483 0.300 1 343 35 35 THR N N 113.296 0.300 1 344 36 36 GLU H H 8.511 0.030 1 345 36 36 GLU HA H 4.212 0.030 1 346 36 36 GLU HB2 H 2.051 0.030 2 347 36 36 GLU HB3 H 1.914 0.030 2 348 36 36 GLU HG2 H 2.150 0.030 2 349 36 36 GLU HG3 H 2.232 0.030 2 350 36 36 GLU C C 176.677 0.300 1 351 36 36 GLU CA C 57.237 0.300 1 352 36 36 GLU CB C 30.032 0.300 1 353 36 36 GLU CG C 36.411 0.300 1 354 36 36 GLU N N 121.682 0.300 1 355 37 37 LEU H H 8.028 0.030 1 356 37 37 LEU HA H 4.200 0.030 1 357 37 37 LEU HB2 H 1.543 0.030 1 358 37 37 LEU HB3 H 1.543 0.030 1 359 37 37 LEU HD1 H 0.798 0.030 1 360 37 37 LEU HD2 H 0.765 0.030 1 361 37 37 LEU HG H 1.549 0.030 1 362 37 37 LEU C C 177.755 0.300 1 363 37 37 LEU CA C 55.337 0.300 1 364 37 37 LEU CB C 42.053 0.300 1 365 37 37 LEU CD1 C 24.943 0.300 2 366 37 37 LEU CD2 C 23.381 0.300 2 367 37 37 LEU CG C 27.163 0.300 1 368 37 37 LEU N N 120.138 0.300 1 369 38 38 GLY H H 8.106 0.030 1 370 38 38 GLY HA2 H 3.948 0.030 2 371 38 38 GLY HA3 H 3.738 0.030 2 372 38 38 GLY C C 174.221 0.300 1 373 38 38 GLY CA C 45.664 0.300 1 374 38 38 GLY N N 109.227 0.300 1 375 39 39 GLU HA H 4.151 0.030 1 376 39 39 GLU HB2 H 1.767 0.030 2 377 39 39 GLU HB3 H 1.852 0.030 2 378 39 39 GLU HG2 H 2.003 0.030 1 379 39 39 GLU HG3 H 2.003 0.030 1 380 39 39 GLU C C 175.942 0.300 1 381 39 39 GLU CA C 56.498 0.300 1 382 39 39 GLU CB C 30.277 0.300 1 383 39 39 GLU CG C 35.920 0.300 1 384 40 40 TYR H H 8.076 0.030 1 385 40 40 TYR HA H 4.438 0.030 1 386 40 40 TYR HB2 H 2.675 0.030 2 387 40 40 TYR HB3 H 2.801 0.030 2 388 40 40 TYR HD1 H 6.882 0.030 1 389 40 40 TYR HD2 H 6.882 0.030 1 390 40 40 TYR HE1 H 6.667 0.030 1 391 40 40 TYR HE2 H 6.667 0.030 1 392 40 40 TYR C C 175.501 0.300 1 393 40 40 TYR CA C 57.624 0.300 1 394 40 40 TYR CB C 38.287 0.300 1 395 40 40 TYR CD1 C 133.095 0.300 1 396 40 40 TYR CD2 C 133.095 0.300 1 397 40 40 TYR CE1 C 118.102 0.300 1 398 40 40 TYR CE2 C 118.102 0.300 1 399 40 40 TYR N N 119.866 0.300 1 400 41 41 SER H H 7.912 0.030 1 401 41 41 SER HA H 4.442 0.030 1 402 41 41 SER HB2 H 3.716 0.030 2 403 41 41 SER HB3 H 3.822 0.030 2 404 41 41 SER C C 175.305 0.300 1 405 41 41 SER CA C 57.588 0.300 1 406 41 41 SER CB C 63.992 0.300 1 407 41 41 SER N N 115.690 0.300 1 408 42 42 LEU H H 8.058 0.030 1 409 42 42 LEU HA H 3.731 0.030 1 410 42 42 LEU HB2 H 1.115 0.030 2 411 42 42 LEU HB3 H 1.202 0.030 2 412 42 42 LEU HD1 H 0.660 0.030 1 413 42 42 LEU HD2 H 0.543 0.030 1 414 42 42 LEU HG H 1.479 0.030 1 415 42 42 LEU C C 177.167 0.300 1 416 42 42 LEU CA C 56.640 0.300 1 417 42 42 LEU CB C 41.068 0.300 1 418 42 42 LEU CD1 C 25.370 0.300 2 419 42 42 LEU CD2 C 24.148 0.300 2 420 42 42 LEU CG C 27.092 0.300 1 421 42 42 LEU N N 124.581 0.300 1 422 43 43 GLY H H 7.982 0.030 1 423 43 43 GLY HA2 H 3.696 0.030 2 424 43 43 GLY HA3 H 3.864 0.030 2 425 43 43 GLY C C 174.374 0.300 1 426 43 43 GLY CA C 46.156 0.300 1 427 43 43 GLY N N 104.059 0.300 1 428 44 44 GLY H H 7.657 0.030 1 429 44 44 GLY HA2 H 3.526 0.030 2 430 44 44 GLY HA3 H 4.112 0.030 2 431 44 44 GLY C C 174.521 0.300 1 432 44 44 GLY CA C 44.749 0.300 1 433 44 44 GLY N N 104.570 0.300 1 434 45 45 TYR H H 7.450 0.030 1 435 45 45 TYR HA H 4.568 0.030 1 436 45 45 TYR HB2 H 2.894 0.030 2 437 45 45 TYR HB3 H 2.993 0.030 2 438 45 45 TYR HD1 H 6.780 0.030 1 439 45 45 TYR HD2 H 6.780 0.030 1 440 45 45 TYR HE1 H 6.509 0.030 1 441 45 45 TYR HE2 H 6.509 0.030 1 442 45 45 TYR C C 174.913 0.300 1 443 45 45 TYR CA C 56.850 0.300 1 444 45 45 TYR CB C 38.630 0.300 1 445 45 45 TYR CD1 C 132.148 0.300 1 446 45 45 TYR CD2 C 132.148 0.300 1 447 45 45 TYR CE1 C 117.736 0.300 1 448 45 45 TYR CE2 C 117.736 0.300 1 449 45 45 TYR N N 120.108 0.300 1 450 46 46 SER H H 8.366 0.030 1 451 46 46 SER HA H 5.010 0.030 1 452 46 46 SER HB2 H 4.430 0.030 2 453 46 46 SER HB3 H 4.013 0.030 2 454 46 46 SER C C 175.501 0.300 1 455 46 46 SER CA C 56.763 0.300 1 456 46 46 SER CB C 65.719 0.300 1 457 46 46 SER N N 115.488 0.300 1 458 47 47 ILE H H 8.579 0.030 1 459 47 47 ILE HA H 3.825 0.030 1 460 47 47 ILE HB H 2.726 0.030 1 461 47 47 ILE HD1 H 0.673 0.030 1 462 47 47 ILE HG12 H 1.385 0.030 2 463 47 47 ILE HG13 H 1.854 0.030 2 464 47 47 ILE HG2 H 0.773 0.030 1 465 47 47 ILE C C 178.979 0.300 1 466 47 47 ILE CA C 61.749 0.300 1 467 47 47 ILE CB C 34.202 0.300 1 468 47 47 ILE CD1 C 9.967 0.300 1 469 47 47 ILE CG1 C 27.843 0.300 1 470 47 47 ILE CG2 C 18.284 0.300 1 471 47 47 ILE N N 122.270 0.300 1 472 48 48 SER H H 8.861 0.030 1 473 48 48 SER HA H 3.946 0.030 1 474 48 48 SER HB2 H 3.858 0.030 2 475 48 48 SER HB3 H 3.942 0.030 2 476 48 48 SER C C 176.971 0.300 1 477 48 48 SER CA C 62.232 0.300 1 478 48 48 SER CB C 62.677 0.300 1 479 48 48 SER N N 115.797 0.300 1 480 49 49 PHE H H 8.072 0.030 1 481 49 49 PHE HA H 4.292 0.030 1 482 49 49 PHE HB2 H 3.221 0.030 2 483 49 49 PHE HB3 H 3.349 0.030 2 484 49 49 PHE HD1 H 6.971 0.030 1 485 49 49 PHE HD2 H 6.971 0.030 1 486 49 49 PHE HE1 H 6.868 0.030 1 487 49 49 PHE HE2 H 6.868 0.030 1 488 49 49 PHE HZ H 7.034 0.030 1 489 49 49 PHE C C 177.559 0.300 1 490 49 49 PHE CA C 60.650 0.300 1 491 49 49 PHE CB C 38.742 0.300 1 492 49 49 PHE CD1 C 131.562 0.300 1 493 49 49 PHE CD2 C 131.562 0.300 1 494 49 49 PHE CE1 C 131.069 0.300 1 495 49 49 PHE CE2 C 131.069 0.300 1 496 49 49 PHE CZ C 129.450 0.300 1 497 49 49 PHE N N 123.401 0.300 1 498 50 50 LEU H H 8.214 0.030 1 499 50 50 LEU HA H 3.780 0.030 1 500 50 50 LEU HB2 H 1.937 0.030 2 501 50 50 LEU HB3 H 1.518 0.030 2 502 50 50 LEU HD1 H 0.701 0.030 1 503 50 50 LEU HD2 H 0.766 0.030 1 504 50 50 LEU HG H 1.564 0.030 1 505 50 50 LEU C C 178.636 0.300 1 506 50 50 LEU CA C 57.729 0.300 1 507 50 50 LEU CB C 41.509 0.300 1 508 50 50 LEU CD1 C 25.370 0.300 2 509 50 50 LEU CD2 C 23.898 0.300 2 510 50 50 LEU CG C 26.842 0.300 1 511 50 50 LEU N N 120.707 0.300 1 512 51 51 LYS H H 8.616 0.030 1 513 51 51 LYS HA H 3.632 0.030 1 514 51 51 LYS HB2 H 2.141 0.030 2 515 51 51 LYS HB3 H 1.705 0.030 2 516 51 51 LYS HD2 H 1.674 0.030 2 517 51 51 LYS HD3 H 1.872 0.030 2 518 51 51 LYS HE2 H 2.773 0.030 2 519 51 51 LYS HE3 H 2.645 0.030 2 520 51 51 LYS HG2 H 0.877 0.030 2 521 51 51 LYS HG3 H 1.753 0.030 2 522 51 51 LYS C C 178.147 0.300 1 523 51 51 LYS CA C 61.581 0.300 1 524 51 51 LYS CB C 33.221 0.300 1 525 51 51 LYS CD C 30.032 0.300 1 526 51 51 LYS CE C 43.276 0.300 1 527 51 51 LYS CG C 28.069 0.300 1 528 51 51 LYS N N 117.627 0.300 1 529 52 52 GLN H H 7.567 0.030 1 530 52 52 GLN HA H 3.742 0.030 1 531 52 52 GLN HB2 H 2.187 0.030 2 532 52 52 GLN HB3 H 2.017 0.030 2 533 52 52 GLN HE21 H 7.316 0.030 2 534 52 52 GLN HE22 H 6.821 0.030 2 535 52 52 GLN HG2 H 2.300 0.030 2 536 52 52 GLN HG3 H 2.463 0.030 2 537 52 52 GLN C C 179.077 0.300 1 538 52 52 GLN CA C 59.098 0.300 1 539 52 52 GLN CB C 27.835 0.300 1 540 52 52 GLN CG C 33.712 0.300 1 541 52 52 GLN N N 117.805 0.300 1 542 52 52 GLN NE2 N 111.741 0.300 1 543 53 53 LEU H H 8.088 0.030 1 544 53 53 LEU HA H 3.885 0.030 1 545 53 53 LEU HB2 H 1.396 0.030 2 546 53 53 LEU HB3 H 1.454 0.030 2 547 53 53 LEU HD1 H 0.642 0.030 1 548 53 53 LEU HD2 H 0.602 0.030 1 549 53 53 LEU HG H 1.198 0.030 1 550 53 53 LEU C C 179.837 0.300 1 551 53 53 LEU CA C 57.496 0.300 1 552 53 53 LEU CB C 42.207 0.300 1 553 53 53 LEU CD1 C 23.874 0.300 2 554 53 53 LEU CD2 C 25.129 0.300 2 555 53 53 LEU CG C 26.152 0.300 1 556 53 53 LEU N N 122.127 0.300 1 557 54 54 ILE H H 8.363 0.030 1 558 54 54 ILE HA H 3.287 0.030 1 559 54 54 ILE HB H 1.750 0.030 1 560 54 54 ILE HD1 H 0.593 0.030 1 561 54 54 ILE HG12 H 0.650 0.030 2 562 54 54 ILE HG13 H 1.792 0.030 2 563 54 54 ILE HG2 H 0.736 0.030 1 564 54 54 ILE C C 176.848 0.300 1 565 54 54 ILE CA C 66.073 0.300 1 566 54 54 ILE CB C 38.348 0.300 1 567 54 54 ILE CD1 C 15.154 0.300 1 568 54 54 ILE CG1 C 31.013 0.300 1 569 54 54 ILE CG2 C 17.380 0.300 1 570 54 54 ILE N N 119.926 0.300 1 571 55 55 ALA H H 8.184 0.030 1 572 55 55 ALA HA H 4.095 0.030 1 573 55 55 ALA HB H 1.281 0.030 1 574 55 55 ALA C C 179.322 0.300 1 575 55 55 ALA CA C 54.599 0.300 1 576 55 55 ALA CB C 18.367 0.300 1 577 55 55 ALA N N 121.020 0.300 1 578 56 56 GLY H H 7.692 0.030 1 579 56 56 GLY HA2 H 3.766 0.030 2 580 56 56 GLY HA3 H 3.896 0.030 2 581 56 56 GLY C C 175.526 0.300 1 582 56 56 GLY CA C 46.227 0.300 1 583 56 56 GLY N N 102.158 0.300 1 584 57 57 LYS H H 7.590 0.030 1 585 57 57 LYS HA H 4.396 0.030 1 586 57 57 LYS HB2 H 1.789 0.030 2 587 57 57 LYS HB3 H 1.839 0.030 2 588 57 57 LYS HD2 H 1.650 0.030 2 589 57 57 LYS HD3 H 1.716 0.030 2 590 57 57 LYS HE2 H 2.988 0.030 1 591 57 57 LYS HE3 H 2.988 0.030 1 592 57 57 LYS HG2 H 1.459 0.030 1 593 57 57 LYS HG3 H 1.459 0.030 1 594 57 57 LYS C C 177.436 0.300 1 595 57 57 LYS CA C 56.533 0.300 1 596 57 57 LYS CB C 33.575 0.300 1 597 57 57 LYS CD C 28.314 0.300 1 598 57 57 LYS CE C 42.125 0.300 1 599 57 57 LYS CG C 24.696 0.300 1 600 57 57 LYS N N 119.581 0.300 1 601 58 58 LEU H H 8.313 0.030 1 602 58 58 LEU HA H 4.722 0.030 1 603 58 58 LEU HB2 H 1.618 0.030 1 604 58 58 LEU HB3 H 1.618 0.030 1 605 58 58 LEU HD1 H 0.767 0.030 1 606 58 58 LEU HD2 H 0.798 0.030 1 607 58 58 LEU HG H 1.524 0.030 1 608 58 58 LEU C C 177.069 0.300 1 609 58 58 LEU CA C 53.403 0.300 1 610 58 58 LEU CB C 40.398 0.300 1 611 58 58 LEU CD1 C 25.765 0.300 2 612 58 58 LEU CD2 C 23.299 0.300 2 613 58 58 LEU CG C 27.080 0.300 1 614 58 58 LEU N N 122.312 0.300 1 615 59 59 GLN H H 7.471 0.030 1 616 59 59 GLN HA H 4.031 0.030 1 617 59 59 GLN HB2 H 2.061 0.030 1 618 59 59 GLN HB3 H 2.061 0.030 1 619 59 59 GLN HE21 H 7.605 0.030 2 620 59 59 GLN HE22 H 6.766 0.030 2 621 59 59 GLN HG2 H 2.387 0.030 1 622 59 59 GLN HG3 H 2.387 0.030 1 623 59 59 GLN C C 176.946 0.300 1 624 59 59 GLN CA C 58.795 0.300 1 625 59 59 GLN CB C 28.805 0.300 1 626 59 59 GLN CG C 33.957 0.300 1 627 59 59 GLN N N 119.287 0.300 1 628 59 59 GLN NE2 N 111.968 0.300 1 629 60 60 GLU H H 8.602 0.030 1 630 60 60 GLU HA H 4.081 0.030 1 631 60 60 GLU HB2 H 1.963 0.030 2 632 60 60 GLU HB3 H 2.014 0.030 2 633 60 60 GLU HG2 H 2.250 0.030 1 634 60 60 GLU HG3 H 2.250 0.030 1 635 60 60 GLU C C 177.485 0.300 1 636 60 60 GLU CA C 58.451 0.300 1 637 60 60 GLU CB C 29.053 0.300 1 638 60 60 GLU CG C 36.452 0.300 1 639 60 60 GLU N N 116.352 0.300 1 640 61 61 SER H H 7.714 0.030 1 641 61 61 SER HA H 4.485 0.030 1 642 61 61 SER HB2 H 3.815 0.030 2 643 61 61 SER HB3 H 3.672 0.030 2 644 61 61 SER C C 173.836 0.300 1 645 61 61 SER CA C 59.699 0.300 1 646 61 61 SER CB C 64.868 0.300 1 647 61 61 SER N N 112.917 0.300 1 648 62 62 VAL H H 8.076 0.030 1 649 62 62 VAL HA H 4.337 0.030 1 650 62 62 VAL HB H 1.997 0.030 1 651 62 62 VAL HG1 H 0.705 0.030 1 652 62 62 VAL HG2 H 0.734 0.030 1 653 62 62 VAL C C 171.435 0.300 1 654 62 62 VAL CA C 59.105 0.300 1 655 62 62 VAL CB C 32.753 0.300 1 656 62 62 VAL CG1 C 22.431 0.300 2 657 62 62 VAL CG2 C 20.780 0.300 2 658 62 62 VAL N N 119.996 0.300 1 659 63 63 PRO HA H 4.426 0.030 1 660 63 63 PRO HB2 H 1.899 0.030 2 661 63 63 PRO HB3 H 2.297 0.030 2 662 63 63 PRO HD2 H 3.275 0.030 2 663 63 63 PRO HD3 H 3.460 0.030 2 664 63 63 PRO HG2 H 1.824 0.030 2 665 63 63 PRO HG3 H 1.907 0.030 2 666 63 63 PRO C C 176.334 0.300 1 667 63 63 PRO CA C 63.674 0.300 1 668 63 63 PRO CB C 32.095 0.300 1 669 63 63 PRO CD C 49.935 0.300 1 670 63 63 PRO CG C 27.092 0.300 1 671 64 64 ASP H H 7.543 0.030 1 672 64 64 ASP HA H 4.971 0.030 1 673 64 64 ASP HB2 H 2.455 0.030 2 674 64 64 ASP HB3 H 2.660 0.030 2 675 64 64 ASP C C 175.698 0.300 1 676 64 64 ASP CA C 50.929 0.300 1 677 64 64 ASP CB C 43.029 0.300 1 678 64 64 ASP N N 115.434 0.300 1 679 65 65 PRO HA H 3.960 0.030 1 680 65 65 PRO HB2 H 1.935 0.030 2 681 65 65 PRO HB3 H 2.046 0.030 2 682 65 65 PRO HD2 H 3.475 0.030 2 683 65 65 PRO HD3 H 4.072 0.030 2 684 65 65 PRO HG2 H 1.900 0.030 2 685 65 65 PRO HG3 H 2.045 0.030 2 686 65 65 PRO C C 176.946 0.300 1 687 65 65 PRO CA C 64.617 0.300 1 688 65 65 PRO CB C 31.749 0.300 1 689 65 65 PRO CD C 51.088 0.300 1 690 65 65 PRO CG C 26.842 0.300 1 691 66 66 GLU H H 8.606 0.030 1 692 66 66 GLU HA H 4.161 0.030 1 693 66 66 GLU HB2 H 2.040 0.030 2 694 66 66 GLU HB3 H 1.944 0.030 2 695 66 66 GLU HG2 H 2.218 0.030 2 696 66 66 GLU HG3 H 2.336 0.030 2 697 66 66 GLU C C 177.363 0.300 1 698 66 66 GLU CA C 57.835 0.300 1 699 66 66 GLU CB C 29.053 0.300 1 700 66 66 GLU CG C 36.656 0.300 1 701 66 66 GLU N N 116.356 0.300 1 702 67 67 LEU H H 7.604 0.030 1 703 67 67 LEU HA H 4.418 0.030 1 704 67 67 LEU HB2 H 1.918 0.030 2 705 67 67 LEU HB3 H 1.655 0.030 2 706 67 67 LEU HD1 H 0.911 0.030 1 707 67 67 LEU HD2 H 0.761 0.030 1 708 67 67 LEU HG H 1.464 0.030 1 709 67 67 LEU C C 176.530 0.300 1 710 67 67 LEU CA C 54.106 0.300 1 711 67 67 LEU CB C 42.544 0.300 1 712 67 67 LEU CD1 C 25.601 0.300 2 713 67 67 LEU CD2 C 22.395 0.300 2 714 67 67 LEU CG C 27.087 0.300 1 715 67 67 LEU N N 116.216 0.300 1 716 68 68 ILE H H 7.129 0.030 1 717 68 68 ILE HA H 5.038 0.030 1 718 68 68 ILE HB H 1.791 0.030 1 719 68 68 ILE HD1 H 0.712 0.030 1 720 68 68 ILE HG12 H 1.034 0.030 2 721 68 68 ILE HG13 H 1.527 0.030 2 722 68 68 ILE HG2 H 0.718 0.030 1 723 68 68 ILE C C 174.056 0.300 1 724 68 68 ILE CA C 59.429 0.300 1 725 68 68 ILE CB C 41.796 0.300 1 726 68 68 ILE CD1 C 14.164 0.300 1 727 68 68 ILE CG1 C 25.620 0.300 1 728 68 68 ILE CG2 C 19.626 0.300 1 729 68 68 ILE N N 111.393 0.300 1 730 69 69 ASP H H 9.089 0.030 1 731 69 69 ASP HA H 4.925 0.030 1 732 69 69 ASP HB2 H 2.341 0.030 1 733 69 69 ASP HB3 H 2.341 0.030 1 734 69 69 ASP C C 175.109 0.300 1 735 69 69 ASP CA C 52.992 0.300 1 736 69 69 ASP CB C 45.108 0.300 1 737 69 69 ASP N N 119.576 0.300 1 738 70 70 LEU H H 8.841 0.030 1 739 70 70 LEU HA H 5.437 0.030 1 740 70 70 LEU HB2 H 1.493 0.030 2 741 70 70 LEU HB3 H 1.130 0.030 2 742 70 70 LEU HD1 H 0.763 0.030 1 743 70 70 LEU HD2 H 0.754 0.030 1 744 70 70 LEU HG H 1.455 0.030 1 745 70 70 LEU C C 174.938 0.300 1 746 70 70 LEU CA C 52.746 0.300 1 747 70 70 LEU CB C 45.167 0.300 1 748 70 70 LEU CD1 C 24.696 0.300 2 749 70 70 LEU CD2 C 26.601 0.300 2 750 70 70 LEU CG C 27.089 0.300 1 751 70 70 LEU N N 117.544 0.300 1 752 71 71 ILE H H 9.142 0.030 1 753 71 71 ILE HA H 4.919 0.030 1 754 71 71 ILE HB H 1.656 0.030 1 755 71 71 ILE HD1 H 0.620 0.030 1 756 71 71 ILE HG12 H 1.223 0.030 2 757 71 71 ILE HG13 H 1.023 0.030 2 758 71 71 ILE HG2 H 0.561 0.030 1 759 71 71 ILE C C 175.403 0.300 1 760 71 71 ILE CA C 58.535 0.300 1 761 71 71 ILE CB C 40.152 0.300 1 762 71 71 ILE CD1 C 12.580 0.300 1 763 71 71 ILE CG1 C 28.069 0.300 1 764 71 71 ILE CG2 C 17.544 0.300 1 765 71 71 ILE N N 122.340 0.300 1 766 72 72 TYR H H 8.701 0.030 1 767 72 72 TYR HA H 5.272 0.030 1 768 72 72 TYR HB2 H 2.773 0.030 2 769 72 72 TYR HB3 H 2.871 0.030 2 770 72 72 TYR HD1 H 7.305 0.030 1 771 72 72 TYR HD2 H 7.305 0.030 1 772 72 72 TYR HE1 H 6.990 0.030 1 773 72 72 TYR HE2 H 6.990 0.030 1 774 72 72 TYR C C 175.020 0.300 1 775 72 72 TYR CA C 56.164 0.300 1 776 72 72 TYR CB C 43.029 0.300 1 777 72 72 TYR CD1 C 133.572 0.300 1 778 72 72 TYR CD2 C 133.572 0.300 1 779 72 72 TYR CE1 C 119.546 0.300 1 780 72 72 TYR CE2 C 119.546 0.300 1 781 72 72 TYR N N 125.178 0.300 1 782 73 73 CYS HA H 3.668 0.030 1 783 73 73 CYS HB2 H 2.780 0.030 2 784 73 73 CYS HB3 H 2.389 0.030 2 785 73 73 CYS C C 175.158 0.300 1 786 73 73 CYS CA C 60.673 0.300 1 787 73 73 CYS CB C 25.860 0.300 1 788 74 74 GLY H H 8.179 0.030 1 789 74 74 GLY HA2 H 4.030 0.030 2 790 74 74 GLY HA3 H 3.330 0.030 2 791 74 74 GLY C C 173.297 0.300 1 792 74 74 GLY CA C 45.383 0.300 1 793 74 74 GLY N N 102.667 0.300 1 794 75 75 ARG H H 7.733 0.030 1 795 75 75 ARG HA H 4.540 0.030 1 796 75 75 ARG HB2 H 1.893 0.030 2 797 75 75 ARG HB3 H 1.832 0.030 2 798 75 75 ARG HD2 H 3.324 0.030 1 799 75 75 ARG HD3 H 3.324 0.030 1 800 75 75 ARG HG2 H 1.717 0.030 2 801 75 75 ARG HG3 H 1.616 0.030 2 802 75 75 ARG C C 174.325 0.300 1 803 75 75 ARG CA C 54.704 0.300 1 804 75 75 ARG CB C 32.485 0.300 1 805 75 75 ARG CD C 44.192 0.300 1 806 75 75 ARG CG C 26.669 0.300 1 807 75 75 ARG N N 121.678 0.300 1 808 76 76 LYS H H 8.631 0.030 1 809 76 76 LYS HA H 4.453 0.030 1 810 76 76 LYS HB2 H 1.667 0.030 1 811 76 76 LYS HB3 H 1.667 0.030 1 812 76 76 LYS HD2 H 1.612 0.030 1 813 76 76 LYS HD3 H 1.612 0.030 1 814 76 76 LYS HE2 H 2.863 0.030 2 815 76 76 LYS HE3 H 2.897 0.030 2 816 76 76 LYS HG2 H 1.225 0.030 2 817 76 76 LYS HG3 H 1.299 0.030 2 818 76 76 LYS C C 176.554 0.300 1 819 76 76 LYS CA C 56.674 0.300 1 820 76 76 LYS CB C 32.225 0.300 1 821 76 76 LYS CD C 29.300 0.300 1 822 76 76 LYS CE C 41.960 0.300 1 823 76 76 LYS CG C 25.370 0.300 1 824 76 76 LYS N N 125.122 0.300 1 825 77 77 LEU H H 8.435 0.030 1 826 77 77 LEU HA H 4.068 0.030 1 827 77 77 LEU HB2 H 1.493 0.030 2 828 77 77 LEU HB3 H 1.053 0.030 2 829 77 77 LEU HD1 H 0.498 0.030 1 830 77 77 LEU HD2 H -0.256 0.030 1 831 77 77 LEU HG H 1.570 0.030 1 832 77 77 LEU C C 176.701 0.300 1 833 77 77 LEU CA C 54.352 0.300 1 834 77 77 LEU CB C 42.125 0.300 1 835 77 77 LEU CD1 C 25.436 0.300 2 836 77 77 LEU CD2 C 19.237 0.300 2 837 77 77 LEU CG C 25.370 0.300 1 838 77 77 LEU N N 125.591 0.300 1 839 78 78 LYS H H 8.539 0.030 1 840 78 78 LYS HA H 4.430 0.030 1 841 78 78 LYS HB2 H 2.002 0.030 2 842 78 78 LYS HB3 H 1.840 0.030 2 843 78 78 LYS HD2 H 1.749 0.030 1 844 78 78 LYS HD3 H 1.749 0.030 1 845 78 78 LYS HE2 H 3.075 0.030 1 846 78 78 LYS HE3 H 3.075 0.030 1 847 78 78 LYS HG2 H 1.550 0.030 2 848 78 78 LYS HG3 H 1.642 0.030 2 849 78 78 LYS C C 177.191 0.300 1 850 78 78 LYS CA C 56.076 0.300 1 851 78 78 LYS CB C 33.957 0.300 1 852 78 78 LYS CD C 29.382 0.300 1 853 78 78 LYS CE C 42.043 0.300 1 854 78 78 LYS CG C 25.272 0.300 1 855 78 78 LYS N N 123.780 0.300 1 856 79 79 ASP H H 8.260 0.030 1 857 79 79 ASP HA H 4.241 0.030 1 858 79 79 ASP HB2 H 2.563 0.030 2 859 79 79 ASP HB3 H 2.656 0.030 2 860 79 79 ASP C C 176.065 0.300 1 861 79 79 ASP CA C 57.729 0.300 1 862 79 79 ASP CB C 41.632 0.300 1 863 79 79 ASP N N 121.218 0.300 1 864 80 80 ASP H H 8.218 0.030 1 865 80 80 ASP HA H 4.666 0.030 1 866 80 80 ASP HB2 H 2.591 0.030 2 867 80 80 ASP HB3 H 2.818 0.030 2 868 80 80 ASP C C 176.775 0.300 1 869 80 80 ASP CA C 53.367 0.300 1 870 80 80 ASP CB C 39.855 0.300 1 871 80 80 ASP N N 112.466 0.300 1 872 81 81 GLN H H 7.480 0.030 1 873 81 81 GLN HA H 4.593 0.030 1 874 81 81 GLN HB2 H 1.914 0.030 2 875 81 81 GLN HB3 H 2.101 0.030 2 876 81 81 GLN HE21 H 5.872 0.030 2 877 81 81 GLN HE22 H 6.568 0.030 2 878 81 81 GLN HG2 H 2.060 0.030 2 879 81 81 GLN HG3 H 1.854 0.030 2 880 81 81 GLN C C 175.036 0.300 1 881 81 81 GLN CA C 53.719 0.300 1 882 81 81 GLN CB C 30.698 0.300 1 883 81 81 GLN CG C 32.240 0.300 1 884 81 81 GLN N N 118.973 0.300 1 885 81 81 GLN NE2 N 110.191 0.300 1 886 82 82 THR H H 7.583 0.030 1 887 82 82 THR HA H 5.281 0.030 1 888 82 82 THR HB H 4.793 0.030 1 889 82 82 THR HG2 H 1.070 0.030 1 890 82 82 THR C C 175.991 0.300 1 891 82 82 THR CA C 59.845 0.300 1 892 82 82 THR CB C 71.967 0.300 1 893 82 82 THR CG2 C 21.740 0.300 1 894 82 82 THR N N 106.822 0.300 1 895 83 83 LEU H H 8.074 0.030 1 896 83 83 LEU HA H 4.044 0.030 1 897 83 83 LEU HB2 H 1.622 0.030 2 898 83 83 LEU HB3 H 2.041 0.030 2 899 83 83 LEU HD1 H 0.715 0.030 1 900 83 83 LEU HD2 H 0.818 0.030 1 901 83 83 LEU HG H 1.799 0.030 1 902 83 83 LEU C C 180.131 0.300 1 903 83 83 LEU CA C 59.849 0.300 1 904 83 83 LEU CB C 40.766 0.300 1 905 83 83 LEU CD1 C 24.532 0.300 2 906 83 83 LEU CD2 C 25.865 0.300 2 907 83 83 LEU CG C 28.563 0.300 1 908 83 83 LEU N N 118.127 0.300 1 909 84 84 ASP H H 8.823 0.030 1 910 84 84 ASP HA H 4.488 0.030 1 911 84 84 ASP HB2 H 2.516 0.030 1 912 84 84 ASP HB3 H 2.516 0.030 1 913 84 84 ASP C C 179.371 0.300 1 914 84 84 ASP CA C 56.709 0.300 1 915 84 84 ASP CB C 40.483 0.300 1 916 84 84 ASP N N 117.459 0.300 1 917 85 85 PHE H H 8.032 0.030 1 918 85 85 PHE HA H 3.971 0.030 1 919 85 85 PHE HB2 H 3.202 0.030 2 920 85 85 PHE HB3 H 2.930 0.030 2 921 85 85 PHE HD1 H 6.179 0.030 1 922 85 85 PHE HD2 H 6.179 0.030 1 923 85 85 PHE HE1 H 7.045 0.030 1 924 85 85 PHE HE2 H 7.045 0.030 1 925 85 85 PHE HZ H 7.117 0.030 1 926 85 85 PHE C C 177.240 0.300 1 927 85 85 PHE CA C 61.600 0.300 1 928 85 85 PHE CB C 39.363 0.300 1 929 85 85 PHE CD1 C 131.717 0.300 1 930 85 85 PHE CD2 C 131.717 0.300 1 931 85 85 PHE CE1 C 131.141 0.300 1 932 85 85 PHE CE2 C 131.141 0.300 1 933 85 85 PHE CZ C 129.433 0.300 1 934 85 85 PHE N N 123.293 0.300 1 935 86 86 TYR H H 7.085 0.030 1 936 86 86 TYR HA H 4.380 0.030 1 937 86 86 TYR HB2 H 3.388 0.030 2 938 86 86 TYR HB3 H 2.555 0.030 2 939 86 86 TYR HD1 H 7.328 0.030 1 940 86 86 TYR HD2 H 7.328 0.030 1 941 86 86 TYR HE1 H 7.074 0.030 1 942 86 86 TYR HE2 H 7.074 0.030 1 943 86 86 TYR C C 175.428 0.300 1 944 86 86 TYR CA C 58.925 0.300 1 945 86 86 TYR CB C 40.457 0.300 1 946 86 86 TYR CD1 C 133.713 0.300 1 947 86 86 TYR CD2 C 133.713 0.300 1 948 86 86 TYR CE1 C 119.299 0.300 1 949 86 86 TYR CE2 C 119.299 0.300 1 950 86 86 TYR N N 113.037 0.300 1 951 87 87 GLY H H 7.993 0.030 1 952 87 87 GLY HA2 H 3.905 0.030 2 953 87 87 GLY HA3 H 4.043 0.030 2 954 87 87 GLY C C 174.913 0.300 1 955 87 87 GLY CA C 46.262 0.300 1 956 87 87 GLY N N 108.923 0.300 1 957 88 88 ILE H H 7.412 0.030 1 958 88 88 ILE HA H 3.269 0.030 1 959 88 88 ILE HB H 1.444 0.030 1 960 88 88 ILE HD1 H 0.423 0.030 1 961 88 88 ILE HG12 H -0.632 0.030 2 962 88 88 ILE HG13 H 1.045 0.030 2 963 88 88 ILE HG2 H 0.541 0.030 1 964 88 88 ILE C C 174.203 0.300 1 965 88 88 ILE CA C 63.076 0.300 1 966 88 88 ILE CB C 37.325 0.300 1 967 88 88 ILE CD1 C 13.926 0.300 1 968 88 88 ILE CG1 C 27.828 0.300 1 969 88 88 ILE CG2 C 17.526 0.300 1 970 88 88 ILE N N 120.906 0.300 1 971 89 89 GLN H H 7.684 0.030 1 972 89 89 GLN HA H 4.578 0.030 1 973 89 89 GLN HB2 H 2.004 0.030 2 974 89 89 GLN HB3 H 1.656 0.030 2 975 89 89 GLN HE21 H 6.810 0.030 2 976 89 89 GLN HE22 H 7.360 0.030 2 977 89 89 GLN HG2 H 2.296 0.030 1 978 89 89 GLN HG3 H 2.296 0.030 1 979 89 89 GLN C C 173.324 0.300 1 980 89 89 GLN CA C 53.016 0.300 1 981 89 89 GLN CB C 29.711 0.300 1 982 89 89 GLN CG C 33.221 0.300 1 983 89 89 GLN N N 125.638 0.300 1 984 89 89 GLN NE2 N 112.765 0.300 1 985 90 90 PRO HA H 3.905 0.030 1 986 90 90 PRO HB2 H 1.905 0.030 2 987 90 90 PRO HB3 H 1.643 0.030 2 988 90 90 PRO HD2 H 2.894 0.030 2 989 90 90 PRO HD3 H 3.280 0.030 2 990 90 90 PRO HG2 H 0.832 0.030 2 991 90 90 PRO HG3 H 1.664 0.030 2 992 90 90 PRO C C 177.338 0.300 1 993 90 90 PRO CA C 63.850 0.300 1 994 90 90 PRO CB C 31.174 0.300 1 995 90 90 PRO CD C 50.039 0.300 1 996 90 90 PRO CG C 27.582 0.300 1 997 91 91 GLY H H 8.795 0.030 1 998 91 91 GLY HA2 H 3.233 0.030 2 999 91 91 GLY HA3 H 4.165 0.030 2 1000 91 91 GLY C C 174.717 0.300 1 1001 91 91 GLY CA C 44.785 0.300 1 1002 91 91 GLY N N 111.913 0.300 1 1003 92 92 SER H H 7.941 0.030 1 1004 92 92 SER HA H 4.544 0.030 1 1005 92 92 SER HB2 H 4.068 0.030 2 1006 92 92 SER HB3 H 3.919 0.030 2 1007 92 92 SER C C 171.239 0.300 1 1008 92 92 SER CA C 60.613 0.300 1 1009 92 92 SER CB C 64.815 0.300 1 1010 92 92 SER N N 117.483 0.300 1 1011 93 93 THR H H 8.702 0.030 1 1012 93 93 THR HA H 5.317 0.030 1 1013 93 93 THR HB H 4.010 0.030 1 1014 93 93 THR HG2 H 0.753 0.030 1 1015 93 93 THR C C 174.497 0.300 1 1016 93 93 THR CA C 61.985 0.300 1 1017 93 93 THR CB C 70.238 0.300 1 1018 93 93 THR CG2 C 21.205 0.300 1 1019 93 93 THR N N 117.842 0.300 1 1020 94 94 VAL H H 9.006 0.030 1 1021 94 94 VAL HA H 4.887 0.030 1 1022 94 94 VAL HB H 1.932 0.030 1 1023 94 94 VAL HG1 H 0.866 0.030 1 1024 94 94 VAL HG2 H 0.848 0.030 1 1025 94 94 VAL C C 173.419 0.300 1 1026 94 94 VAL CA C 59.912 0.300 1 1027 94 94 VAL CB C 34.562 0.300 1 1028 94 94 VAL CG1 C 21.969 0.300 2 1029 94 94 VAL CG2 C 20.422 0.300 2 1030 94 94 VAL N N 122.053 0.300 1 1031 95 95 HIS H H 9.083 0.030 1 1032 95 95 HIS HA H 5.385 0.030 1 1033 95 95 HIS HB2 H 2.678 0.030 2 1034 95 95 HIS HB3 H 3.008 0.030 2 1035 95 95 HIS HD2 H 6.771 0.030 1 1036 95 95 HIS HE1 H 7.608 0.030 1 1037 95 95 HIS C C 175.256 0.300 1 1038 95 95 HIS CA C 55.525 0.300 1 1039 95 95 HIS CB C 33.164 0.300 1 1040 95 95 HIS CD2 C 118.238 0.300 1 1041 95 95 HIS CE1 C 138.566 0.300 1 1042 95 95 HIS N N 122.985 0.300 1 1043 96 96 VAL H H 8.925 0.030 1 1044 96 96 VAL HA H 4.562 0.030 1 1045 96 96 VAL HB H 1.993 0.030 1 1046 96 96 VAL HG1 H 0.813 0.030 1 1047 96 96 VAL HG2 H 0.764 0.030 1 1048 96 96 VAL C C 174.962 0.300 1 1049 96 96 VAL CA C 61.385 0.300 1 1050 96 96 VAL CB C 33.712 0.300 1 1051 96 96 VAL CG1 C 21.941 0.300 2 1052 96 96 VAL CG2 C 22.186 0.300 2 1053 96 96 VAL N N 121.228 0.300 1 1054 97 97 LEU H H 8.993 0.030 1 1055 97 97 LEU HA H 4.743 0.030 1 1056 97 97 LEU HB2 H 1.169 0.030 2 1057 97 97 LEU HB3 H 1.672 0.030 2 1058 97 97 LEU HD1 H 0.783 0.030 1 1059 97 97 LEU HD2 H 0.825 0.030 1 1060 97 97 LEU HG H 1.528 0.030 1 1061 97 97 LEU C C 175.624 0.300 1 1062 97 97 LEU CA C 53.473 0.300 1 1063 97 97 LEU CB C 45.989 0.300 1 1064 97 97 LEU CD1 C 25.930 0.300 2 1065 97 97 LEU CD2 C 24.203 0.300 2 1066 97 97 LEU CG C 27.531 0.300 1 1067 97 97 LEU N N 131.743 0.300 1 1068 98 98 ARG H H 9.187 0.030 1 1069 98 98 ARG HA H 4.442 0.030 1 1070 98 98 ARG HB2 H 1.775 0.030 2 1071 98 98 ARG HB3 H 1.855 0.030 2 1072 98 98 ARG HD2 H 3.147 0.030 1 1073 98 98 ARG HD3 H 3.147 0.030 1 1074 98 98 ARG HG2 H 1.602 0.030 2 1075 98 98 ARG HG3 H 1.726 0.030 2 1076 98 98 ARG C C 176.971 0.300 1 1077 98 98 ARG CA C 56.955 0.300 1 1078 98 98 ARG CB C 30.277 0.300 1 1079 98 98 ARG CD C 43.276 0.300 1 1080 98 98 ARG CG C 28.069 0.300 1 1081 98 98 ARG N N 125.547 0.300 1 1082 99 99 LYS H H 8.349 0.030 1 1083 99 99 LYS HA H 4.155 0.030 1 1084 99 99 LYS HB2 H 1.654 0.030 2 1085 99 99 LYS HB3 H 1.403 0.030 2 1086 99 99 LYS HD2 H 1.522 0.030 2 1087 99 99 LYS HD3 H 1.570 0.030 2 1088 99 99 LYS HE2 H 2.751 0.030 1 1089 99 99 LYS HE3 H 2.751 0.030 1 1090 99 99 LYS HG2 H 0.999 0.030 2 1091 99 99 LYS HG3 H 1.287 0.030 2 1092 99 99 LYS C C 176.677 0.300 1 1093 99 99 LYS CA C 57.088 0.300 1 1094 99 99 LYS CB C 33.742 0.300 1 1095 99 99 LYS CD C 29.786 0.300 1 1096 99 99 LYS CE C 42.289 0.300 1 1097 99 99 LYS CG C 26.012 0.300 1 1098 99 99 LYS N N 124.317 0.300 1 1099 100 100 SER H H 8.264 0.030 1 1100 100 100 SER HA H 4.389 0.030 1 1101 100 100 SER HB2 H 3.801 0.030 1 1102 100 100 SER HB3 H 3.801 0.030 1 1103 100 100 SER C C 173.958 0.300 1 1104 100 100 SER CA C 58.116 0.300 1 1105 100 100 SER CB C 63.828 0.300 1 1106 100 100 SER N N 115.215 0.300 1 1107 101 101 TRP H H 8.219 0.030 1 1108 101 101 TRP HA H 4.674 0.030 1 1109 101 101 TRP HB2 H 3.216 0.030 2 1110 101 101 TRP HB3 H 3.274 0.030 2 1111 101 101 TRP HD1 H 7.239 0.030 1 1112 101 101 TRP HE1 H 10.109 0.030 1 1113 101 101 TRP HE3 H 7.557 0.030 1 1114 101 101 TRP HH2 H 7.177 0.030 1 1115 101 101 TRP HZ2 H 7.437 0.030 1 1116 101 101 TRP HZ3 H 7.082 0.030 1 1117 101 101 TRP C C 175.942 0.300 1 1118 101 101 TRP CA C 57.588 0.300 1 1119 101 101 TRP CB C 29.965 0.300 1 1120 101 101 TRP CD1 C 127.449 0.300 1 1121 101 101 TRP CE3 C 120.982 0.300 1 1122 101 101 TRP CH2 C 124.657 0.300 1 1123 101 101 TRP CZ2 C 114.507 0.300 1 1124 101 101 TRP CZ3 C 122.147 0.300 1 1125 101 101 TRP N N 123.511 0.300 1 1126 101 101 TRP NE1 N 129.659 0.300 1 1127 102 102 SER H H 8.075 0.030 1 1128 102 102 SER HA H 4.338 0.030 1 1129 102 102 SER HB2 H 3.835 0.030 2 1130 102 102 SER HB3 H 3.683 0.030 2 1131 102 102 SER C C 173.860 0.300 1 1132 102 102 SER CA C 57.835 0.300 1 1133 102 102 SER CB C 64.075 0.300 1 1134 102 102 SER N N 118.768 0.300 1 1135 103 103 GLY H H 7.247 0.030 1 1136 103 103 GLY C C 171.411 0.300 1 1137 103 103 GLY CA C 44.468 0.300 1 1138 103 103 GLY N N 109.849 0.300 1 1139 104 104 PRO HA H 4.442 0.030 1 1140 104 104 PRO HB2 H 1.956 0.030 2 1141 104 104 PRO HB3 H 2.292 0.030 2 1142 104 104 PRO HD2 H 3.564 0.030 1 1143 104 104 PRO HD3 H 3.564 0.030 1 1144 104 104 PRO HG2 H 2.000 0.030 1 1145 104 104 PRO HG3 H 2.000 0.030 1 1146 104 104 PRO C C 177.363 0.300 1 1147 104 104 PRO CA C 63.181 0.300 1 1148 104 104 PRO CB C 32.095 0.300 1 1149 104 104 PRO CD C 49.770 0.300 1 1150 104 104 PRO CG C 27.080 0.300 1 1151 105 105 SER H H 8.522 0.030 1 1152 105 105 SER HA H 4.457 0.030 1 1153 105 105 SER HB2 H 3.859 0.030 1 1154 105 105 SER HB3 H 3.859 0.030 1 1155 105 105 SER C C 174.644 0.300 1 1156 105 105 SER CA C 58.433 0.300 1 1157 105 105 SER CB C 63.746 0.300 1 1158 105 105 SER N N 116.492 0.300 1 1159 106 106 SER H H 8.295 0.030 1 1160 106 106 SER C C 173.881 0.300 1 1161 106 106 SER CA C 58.433 0.300 1 1162 106 106 SER CB C 63.746 0.300 1 1163 106 106 SER N N 117.793 0.300 1 stop_ save_