data_11256 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal Ubiquitin-like Domain of Mouse Ubiquitin Specific Protease 14 (USP14) ; _BMRB_accession_number 11256 _BMRB_flat_file_name bmr11256.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" 538 "13C chemical shifts" 408 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-17 original author . stop_ _Original_release_date 2011-08-17 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 of Mouse Ubiquitin Specific Protease 14 (USP14) ; _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 carboxyl-terminal hydrolase 14' _Enzyme_commission_number E.C.3.1.2.15 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 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GSSGSSGYSVTVKWGKEKFE GVELNTDEPPMVFKAQLFAL TGVQPARQKVMVKGGTLKDD DWGNIKMKNGMTVLMMGSAD ALPEEPSAKTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 TYR 9 SER 10 VAL 11 THR 12 VAL 13 LYS 14 TRP 15 GLY 16 LYS 17 GLU 18 LYS 19 PHE 20 GLU 21 GLY 22 VAL 23 GLU 24 LEU 25 ASN 26 THR 27 ASP 28 GLU 29 PRO 30 PRO 31 MET 32 VAL 33 PHE 34 LYS 35 ALA 36 GLN 37 LEU 38 PHE 39 ALA 40 LEU 41 THR 42 GLY 43 VAL 44 GLN 45 PRO 46 ALA 47 ARG 48 GLN 49 LYS 50 VAL 51 MET 52 VAL 53 LYS 54 GLY 55 GLY 56 THR 57 LEU 58 LYS 59 ASP 60 ASP 61 ASP 62 TRP 63 GLY 64 ASN 65 ILE 66 LYS 67 MET 68 LYS 69 ASN 70 GLY 71 MET 72 THR 73 VAL 74 LEU 75 MET 76 MET 77 GLY 78 SER 79 ALA 80 ASP 81 ALA 82 LEU 83 PRO 84 GLU 85 GLU 86 PRO 87 SER 88 ALA 89 LYS 90 THR 91 SER 92 GLY 93 PRO 94 SER 95 SER 96 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WGG "Solution Structure Of The N-Terminal Ubiquitin-Like Domain Of Mouse Ubiquitin Specific Protease 14 (Usp14)" 100.00 96 100.00 100.00 4.89e-61 DBJ BAA93551 "deubiquitinating enzyme [Mus musculus]" 86.46 493 100.00 100.00 8.90e-50 DBJ BAB27544 "unnamed protein product [Mus musculus]" 86.46 493 100.00 100.00 1.01e-49 DBJ BAC26713 "unnamed protein product [Mus musculus]" 86.46 493 100.00 100.00 1.01e-49 DBJ BAC32528 "unnamed protein product [Mus musculus]" 86.46 493 100.00 100.00 1.01e-49 DBJ BAE89403 "unnamed protein product [Macaca fascicularis]" 53.13 447 100.00 100.00 8.96e-26 GB AAB60365 "tRNA-Guanine Transglycosylase [Homo sapiens]" 86.46 494 97.59 100.00 6.93e-49 GB AAH03556 "Ubiquitin specific peptidase 14 (tRNA-guanine transglycosylase) [Homo sapiens]" 86.46 494 97.59 100.00 6.93e-49 GB AAH05571 "Ubiquitin specific peptidase 14 [Mus musculus]" 86.46 493 100.00 100.00 1.01e-49 GB AAH50197 "Ubiquitin specific peptidase 14 [Mus musculus]" 64.58 458 100.00 100.00 9.34e-35 GB AAH85947 "Ubiquitin specific peptidase 14 [Rattus norvegicus]" 86.46 493 100.00 100.00 7.78e-50 REF NP_001008302 "ubiquitin carboxyl-terminal hydrolase 14 [Rattus norvegicus]" 86.46 493 100.00 100.00 7.78e-50 REF NP_001032411 "ubiquitin carboxyl-terminal hydrolase 14 isoform b [Homo sapiens]" 64.58 459 98.39 100.00 1.97e-34 REF NP_001033678 "ubiquitin carboxyl-terminal hydrolase 14 isoform 2 [Mus musculus]" 64.58 458 100.00 100.00 9.34e-35 REF NP_001038961 "ubiquitin carboxyl-terminal hydrolase 14 [Pan troglodytes]" 86.46 493 97.59 100.00 7.19e-49 REF NP_001068657 "ubiquitin carboxyl-terminal hydrolase 14 [Bos taurus]" 86.46 494 100.00 100.00 7.58e-50 SP P54578 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 14; AltName: Full=Deubiquitinating enzyme 14; AltName: Full=Ubiquitin thioe" 86.46 494 97.59 100.00 6.93e-49 SP P60051 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 14; AltName: Full=Deubiquitinating enzyme 14; AltName: Full=Ubiquitin thioe" 86.46 493 97.59 100.00 7.19e-49 SP Q0IIF7 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 14; AltName: Full=Deubiquitinating enzyme 14; AltName: Full=Ubiquitin thioe" 86.46 494 100.00 100.00 7.58e-50 SP Q9JMA1 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 14; AltName: Full=Deubiquitinating enzyme 14; AltName: Full=Ubiquitin thioe" 86.46 493 100.00 100.00 1.01e-49 TPG DAA15782 "TPA: ubiquitin carboxyl-terminal hydrolase 14 [Bos taurus]" 86.46 494 100.00 100.00 7.58e-50 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 P0302212-91 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM PiNa {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . PiNa 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 0.8996 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 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 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 2 2 SER HA H 4.551 0.030 1 2 2 2 SER HB2 H 3.899 0.030 1 3 2 2 SER HB3 H 3.899 0.030 1 4 2 2 SER C C 174.843 0.300 1 5 2 2 SER CA C 58.447 0.300 1 6 2 2 SER CB C 63.844 0.300 1 7 3 3 SER H H 8.605 0.030 1 8 3 3 SER HA H 4.503 0.030 1 9 3 3 SER HB2 H 3.887 0.030 1 10 3 3 SER HB3 H 3.887 0.030 1 11 3 3 SER C C 175.045 0.300 1 12 3 3 SER CA C 58.623 0.300 1 13 3 3 SER CB C 63.844 0.300 1 14 3 3 SER N N 118.082 0.300 1 15 4 4 GLY H H 8.428 0.030 1 16 4 4 GLY HA2 H 3.953 0.030 2 17 4 4 GLY HA3 H 4.036 0.030 2 18 4 4 GLY C C 174.364 0.300 1 19 4 4 GLY CA C 45.392 0.300 1 20 4 4 GLY N N 111.041 0.300 1 21 5 5 SER H H 8.269 0.030 1 22 5 5 SER HA H 4.478 0.030 1 23 5 5 SER HB2 H 3.826 0.030 1 24 5 5 SER HB3 H 3.826 0.030 1 25 5 5 SER C C 174.644 0.300 1 26 5 5 SER CA C 58.377 0.300 1 27 5 5 SER CB C 63.885 0.300 1 28 5 5 SER N N 115.879 0.300 1 29 6 6 SER H H 8.268 0.030 1 30 6 6 SER HA H 4.430 0.030 1 31 6 6 SER HB2 H 3.790 0.030 1 32 6 6 SER HB3 H 3.790 0.030 1 33 6 6 SER C C 173.272 0.300 1 34 6 6 SER CA C 57.954 0.300 1 35 6 6 SER CB C 63.967 0.300 1 36 6 6 SER N N 117.747 0.300 1 37 7 7 GLY H H 7.746 0.030 1 38 7 7 GLY HA2 H 4.406 0.030 2 39 7 7 GLY HA3 H 3.561 0.030 2 40 7 7 GLY C C 172.920 0.300 1 41 7 7 GLY CA C 44.776 0.300 1 42 7 7 GLY N N 109.205 0.300 1 43 8 8 TYR H H 8.674 0.030 1 44 8 8 TYR HA H 4.961 0.030 1 45 8 8 TYR HB2 H 2.674 0.030 2 46 8 8 TYR HB3 H 2.376 0.030 2 47 8 8 TYR HD1 H 6.725 0.030 1 48 8 8 TYR HD2 H 6.725 0.030 1 49 8 8 TYR HE1 H 6.573 0.030 1 50 8 8 TYR HE2 H 6.573 0.030 1 51 8 8 TYR C C 174.620 0.300 1 52 8 8 TYR CA C 56.828 0.300 1 53 8 8 TYR CB C 42.010 0.300 1 54 8 8 TYR CD1 C 132.775 0.300 1 55 8 8 TYR CD2 C 132.775 0.300 1 56 8 8 TYR CE1 C 118.398 0.300 1 57 8 8 TYR CE2 C 118.398 0.300 1 58 8 8 TYR N N 120.282 0.300 1 59 9 9 SER H H 8.549 0.030 1 60 9 9 SER HA H 5.130 0.030 1 61 9 9 SER HB2 H 3.675 0.030 2 62 9 9 SER HB3 H 3.597 0.030 2 63 9 9 SER C C 174.741 0.300 1 64 9 9 SER CA C 56.618 0.300 1 65 9 9 SER CB C 64.337 0.300 1 66 9 9 SER N N 116.585 0.300 1 67 10 10 VAL H H 9.451 0.030 1 68 10 10 VAL HA H 4.961 0.030 1 69 10 10 VAL HB H 2.492 0.030 1 70 10 10 VAL HG1 H 0.794 0.030 1 71 10 10 VAL HG2 H 0.760 0.030 1 72 10 10 VAL C C 174.353 0.300 1 73 10 10 VAL CA C 59.415 0.300 1 74 10 10 VAL CB C 35.144 0.300 1 75 10 10 VAL CG1 C 22.219 0.300 2 76 10 10 VAL CG2 C 18.030 0.300 2 77 10 10 VAL N N 119.733 0.300 1 78 11 11 THR H H 8.550 0.030 1 79 11 11 THR HA H 5.324 0.030 1 80 11 11 THR HB H 4.080 0.030 1 81 11 11 THR HG2 H 1.153 0.030 1 82 11 11 THR C C 173.892 0.300 1 83 11 11 THR CA C 61.385 0.300 1 84 11 11 THR CB C 70.579 0.300 1 85 11 11 THR CG2 C 22.612 0.300 1 86 11 11 THR N N 117.148 0.300 1 87 12 12 VAL H H 9.410 0.030 1 88 12 12 VAL HA H 5.251 0.030 1 89 12 12 VAL HB H 2.190 0.030 1 90 12 12 VAL HG1 H 0.917 0.030 1 91 12 12 VAL HG2 H 1.017 0.030 1 92 12 12 VAL C C 174.915 0.300 1 93 12 12 VAL CA C 60.540 0.300 1 94 12 12 VAL CB C 34.567 0.300 1 95 12 12 VAL CG1 C 20.468 0.300 2 96 12 12 VAL CG2 C 22.135 0.300 2 97 12 12 VAL N N 126.765 0.300 1 98 13 13 LYS H H 9.077 0.030 1 99 13 13 LYS HA H 5.142 0.030 1 100 13 13 LYS HB2 H 2.040 0.030 2 101 13 13 LYS HB3 H 1.665 0.030 2 102 13 13 LYS HE2 H 2.945 0.030 1 103 13 13 LYS HE3 H 2.945 0.030 1 104 13 13 LYS HG2 H 1.324 0.030 2 105 13 13 LYS HG3 H 1.443 0.030 2 106 13 13 LYS C C 174.305 0.300 1 107 13 13 LYS CA C 55.227 0.300 1 108 13 13 LYS CB C 34.897 0.300 1 109 13 13 LYS CD C 29.304 0.300 1 110 13 13 LYS CE C 41.969 0.300 1 111 13 13 LYS CG C 25.578 0.300 1 112 13 13 LYS N N 127.790 0.300 1 113 14 14 TRP H H 8.465 0.030 1 114 14 14 TRP HA H 5.639 0.030 1 115 14 14 TRP HB2 H 3.343 0.030 2 116 14 14 TRP HB3 H 2.945 0.030 2 117 14 14 TRP HD1 H 7.642 0.030 1 118 14 14 TRP HE1 H 10.351 0.030 1 119 14 14 TRP HE3 H 7.607 0.030 1 120 14 14 TRP HH2 H 7.323 0.030 1 121 14 14 TRP HZ2 H 7.390 0.030 1 122 14 14 TRP HZ3 H 7.385 0.030 1 123 14 14 TRP C C 175.458 0.300 1 124 14 14 TRP CA C 55.439 0.300 1 125 14 14 TRP CB C 30.250 0.300 1 126 14 14 TRP CD1 C 126.759 0.300 1 127 14 14 TRP CE3 C 119.989 0.300 1 128 14 14 TRP CH2 C 125.421 0.300 1 129 14 14 TRP CZ2 C 115.037 0.300 1 130 14 14 TRP CZ3 C 121.984 0.300 1 131 14 14 TRP N N 126.748 0.300 1 132 14 14 TRP NE1 N 129.484 0.300 1 133 15 15 GLY H H 9.288 0.030 1 134 15 15 GLY HA2 H 3.494 0.030 2 135 15 15 GLY HA3 H 3.599 0.030 2 136 15 15 GLY C C 175.463 0.300 1 137 15 15 GLY CA C 46.924 0.300 1 138 15 15 GLY N N 117.542 0.300 1 139 16 16 LYS H H 8.949 0.030 1 140 16 16 LYS HA H 4.309 0.030 1 141 16 16 LYS HB2 H 1.892 0.030 2 142 16 16 LYS HB3 H 1.711 0.030 2 143 16 16 LYS HD2 H 1.641 0.030 1 144 16 16 LYS HD3 H 1.641 0.030 1 145 16 16 LYS HE2 H 2.945 0.030 1 146 16 16 LYS HE3 H 2.945 0.030 1 147 16 16 LYS HG2 H 1.351 0.030 1 148 16 16 LYS HG3 H 1.351 0.030 1 149 16 16 LYS C C 176.562 0.300 1 150 16 16 LYS CA C 56.424 0.300 1 151 16 16 LYS CB C 32.511 0.300 1 152 16 16 LYS CD C 29.140 0.300 1 153 16 16 LYS CE C 42.051 0.300 1 154 16 16 LYS CG C 24.676 0.300 1 155 16 16 LYS N N 127.208 0.300 1 156 17 17 GLU H H 8.385 0.030 1 157 17 17 GLU HA H 4.382 0.030 1 158 17 17 GLU HB2 H 2.287 0.030 2 159 17 17 GLU HB3 H 1.883 0.030 2 160 17 17 GLU HG2 H 2.195 0.030 2 161 17 17 GLU HG3 H 2.441 0.030 2 162 17 17 GLU C C 175.688 0.300 1 163 17 17 GLU CA C 55.175 0.300 1 164 17 17 GLU CB C 31.032 0.300 1 165 17 17 GLU CG C 35.308 0.300 1 166 17 17 GLU N N 120.383 0.300 1 167 18 18 LYS H H 8.369 0.030 1 168 18 18 LYS HA H 5.129 0.030 1 169 18 18 LYS HB2 H 1.521 0.030 2 170 18 18 LYS HB3 H 1.649 0.030 2 171 18 18 LYS HE2 H 2.921 0.030 1 172 18 18 LYS HE3 H 2.921 0.030 1 173 18 18 LYS HG2 H 1.230 0.030 2 174 18 18 LYS HG3 H 1.142 0.030 2 175 18 18 LYS C C 174.187 0.300 1 176 18 18 LYS CA C 55.139 0.300 1 177 18 18 LYS CB C 35.478 0.300 1 178 18 18 LYS CD C 29.387 0.300 1 179 18 18 LYS CE C 41.722 0.300 1 180 18 18 LYS CG C 24.929 0.300 1 181 18 18 LYS N N 122.561 0.300 1 182 19 19 PHE H H 9.460 0.030 1 183 19 19 PHE HA H 4.865 0.030 1 184 19 19 PHE HB2 H 3.187 0.030 2 185 19 19 PHE HB3 H 2.848 0.030 2 186 19 19 PHE HD1 H 7.242 0.030 1 187 19 19 PHE HD2 H 7.242 0.030 1 188 19 19 PHE HE1 H 7.372 0.030 1 189 19 19 PHE HE2 H 7.372 0.030 1 190 19 19 PHE HZ H 7.436 0.030 1 191 19 19 PHE C C 174.663 0.300 1 192 19 19 PHE CA C 56.336 0.300 1 193 19 19 PHE CB C 40.115 0.300 1 194 19 19 PHE CD1 C 132.339 0.300 1 195 19 19 PHE CD2 C 132.339 0.300 1 196 19 19 PHE CE1 C 130.974 0.300 1 197 19 19 PHE CE2 C 130.974 0.300 1 198 19 19 PHE CZ C 129.432 0.300 1 199 19 19 PHE N N 125.411 0.300 1 200 20 20 GLU H H 8.939 0.030 1 201 20 20 GLU HA H 4.768 0.030 1 202 20 20 GLU HB2 H 2.081 0.030 2 203 20 20 GLU HB3 H 1.922 0.030 2 204 20 20 GLU HG2 H 2.245 0.030 1 205 20 20 GLU HG3 H 2.245 0.030 1 206 20 20 GLU C C 177.487 0.300 1 207 20 20 GLU CA C 55.755 0.300 1 208 20 20 GLU CB C 31.813 0.300 1 209 20 20 GLU CG C 37.117 0.300 1 210 20 20 GLU N N 122.419 0.300 1 211 21 21 GLY H H 8.846 0.030 1 212 21 21 GLY HA2 H 3.713 0.030 2 213 21 21 GLY HA3 H 3.808 0.030 2 214 21 21 GLY C C 175.142 0.300 1 215 21 21 GLY CA C 47.169 0.300 1 216 21 21 GLY N N 112.133 0.300 1 217 22 22 VAL H H 8.880 0.030 1 218 22 22 VAL HA H 3.814 0.030 1 219 22 22 VAL HB H 2.027 0.030 1 220 22 22 VAL HG1 H 0.923 0.030 1 221 22 22 VAL HG2 H 0.858 0.030 1 222 22 22 VAL C C 175.506 0.300 1 223 22 22 VAL CA C 63.180 0.300 1 224 22 22 VAL CB C 31.730 0.300 1 225 22 22 VAL CG1 C 21.542 0.300 2 226 22 22 VAL CG2 C 22.398 0.300 2 227 22 22 VAL N N 123.240 0.300 1 228 23 23 GLU H H 8.670 0.030 1 229 23 23 GLU HA H 4.847 0.030 1 230 23 23 GLU HB2 H 1.996 0.030 1 231 23 23 GLU HB3 H 1.996 0.030 1 232 23 23 GLU HG2 H 2.136 0.030 2 233 23 23 GLU HG3 H 2.305 0.030 2 234 23 23 GLU C C 175.499 0.300 1 235 23 23 GLU CA C 56.406 0.300 1 236 23 23 GLU CB C 30.703 0.300 1 237 23 23 GLU CG C 36.541 0.300 1 238 23 23 GLU N N 128.137 0.300 1 239 24 24 LEU H H 8.783 0.030 1 240 24 24 LEU HA H 4.635 0.030 1 241 24 24 LEU HB2 H 1.259 0.030 2 242 24 24 LEU HB3 H 1.405 0.030 2 243 24 24 LEU HD1 H 0.149 0.030 1 244 24 24 LEU HD2 H -0.009 0.030 1 245 24 24 LEU HG H 1.043 0.030 1 246 24 24 LEU C C 174.413 0.300 1 247 24 24 LEU CA C 54.823 0.300 1 248 24 24 LEU CB C 44.973 0.300 1 249 24 24 LEU CD1 C 25.972 0.300 2 250 24 24 LEU CD2 C 26.182 0.300 2 251 24 24 LEU CG C 27.018 0.300 1 252 24 24 LEU N N 124.624 0.300 1 253 25 25 ASN H H 9.129 0.030 1 254 25 25 ASN HA H 5.348 0.030 1 255 25 25 ASN HB2 H 3.042 0.030 2 256 25 25 ASN HB3 H 2.642 0.030 2 257 25 25 ASN HD21 H 7.102 0.030 2 258 25 25 ASN HD22 H 7.682 0.030 2 259 25 25 ASN C C 176.759 0.300 1 260 25 25 ASN CA C 51.550 0.300 1 261 25 25 ASN CB C 40.535 0.300 1 262 25 25 ASN N N 123.288 0.300 1 263 25 25 ASN ND2 N 112.445 0.300 1 264 26 26 THR H H 8.593 0.030 1 265 26 26 THR HA H 3.732 0.030 1 266 26 26 THR HB H 3.777 0.030 1 267 26 26 THR HG2 H -0.001 0.030 1 268 26 26 THR C C 174.967 0.300 1 269 26 26 THR CA C 63.074 0.300 1 270 26 26 THR CB C 67.585 0.300 1 271 26 26 THR CG2 C 21.410 0.300 1 272 26 26 THR N N 115.150 0.300 1 273 27 27 ASP H H 8.574 0.030 1 274 27 27 ASP HA H 4.696 0.030 1 275 27 27 ASP HB2 H 2.764 0.030 2 276 27 27 ASP HB3 H 2.829 0.030 2 277 27 27 ASP C C 176.295 0.300 1 278 27 27 ASP CA C 55.210 0.300 1 279 27 27 ASP CB C 40.447 0.300 1 280 27 27 ASP N N 121.088 0.300 1 281 28 28 GLU H H 7.486 0.030 1 282 28 28 GLU HA H 4.889 0.030 1 283 28 28 GLU HB2 H 2.217 0.030 2 284 28 28 GLU HB3 H 2.026 0.030 2 285 28 28 GLU HG2 H 2.322 0.030 2 286 28 28 GLU HG3 H 2.237 0.030 2 287 28 28 GLU C C 173.404 0.300 1 288 28 28 GLU CA C 53.345 0.300 1 289 28 28 GLU CB C 30.497 0.300 1 290 28 28 GLU CG C 35.813 0.300 1 291 28 28 GLU N N 119.314 0.300 1 292 29 29 PRO HA H 4.671 0.030 1 293 29 29 PRO HB2 H 2.555 0.030 2 294 29 29 PRO HB3 H 2.044 0.030 2 295 29 29 PRO HD2 H 3.849 0.030 2 296 29 29 PRO HD3 H 3.970 0.030 2 297 29 29 PRO HG2 H 2.234 0.030 2 298 29 29 PRO HG3 H 2.157 0.030 2 299 29 29 PRO CA C 62.598 0.300 1 300 29 29 PRO CB C 31.257 0.300 1 301 29 29 PRO CD C 50.235 0.300 1 302 29 29 PRO CG C 28.220 0.300 1 303 30 30 PRO HA H 4.104 0.030 1 304 30 30 PRO HB2 H 1.762 0.030 2 305 30 30 PRO HB3 H 1.109 0.030 2 306 30 30 PRO HD2 H 2.895 0.030 2 307 30 30 PRO HD3 H 3.027 0.030 2 308 30 30 PRO HG2 H -0.426 0.030 2 309 30 30 PRO HG3 H 1.152 0.030 2 310 30 30 PRO C C 178.145 0.300 1 311 30 30 PRO CA C 64.851 0.300 1 312 30 30 PRO CB C 31.278 0.300 1 313 30 30 PRO CD C 50.105 0.300 1 314 30 30 PRO CG C 25.933 0.300 1 315 31 31 MET H H 7.857 0.030 1 316 31 31 MET HA H 4.177 0.030 1 317 31 31 MET HB2 H 2.618 0.030 2 318 31 31 MET HB3 H 2.174 0.030 2 319 31 31 MET HE H 1.977 0.030 1 320 31 31 MET HG2 H 2.037 0.030 2 321 31 31 MET HG3 H 2.170 0.030 2 322 31 31 MET C C 177.545 0.300 1 323 31 31 MET CA C 57.954 0.300 1 324 31 31 MET CB C 31.895 0.300 1 325 31 31 MET CE C 16.885 0.300 1 326 31 31 MET CG C 31.763 0.300 1 327 31 31 MET N N 113.282 0.300 1 328 32 32 VAL H H 8.044 0.030 1 329 32 32 VAL HA H 3.814 0.030 1 330 32 32 VAL HB H 2.319 0.030 1 331 32 32 VAL HG1 H 1.103 0.030 1 332 32 32 VAL HG2 H 1.194 0.030 1 333 32 32 VAL C C 178.662 0.300 1 334 32 32 VAL CA C 66.804 0.300 1 335 32 32 VAL CB C 31.854 0.300 1 336 32 32 VAL CG1 C 21.386 0.300 2 337 32 32 VAL CG2 C 23.301 0.300 2 338 32 32 VAL N N 121.070 0.300 1 339 33 33 PHE H H 7.075 0.030 1 340 33 33 PHE HA H 5.054 0.030 1 341 33 33 PHE HB2 H 3.742 0.030 2 342 33 33 PHE HB3 H 3.416 0.030 2 343 33 33 PHE HD1 H 7.339 0.030 1 344 33 33 PHE HD2 H 7.339 0.030 1 345 33 33 PHE HE1 H 7.046 0.030 1 346 33 33 PHE HE2 H 7.046 0.030 1 347 33 33 PHE HZ H 6.851 0.030 1 348 33 33 PHE C C 178.018 0.300 1 349 33 33 PHE CA C 59.696 0.300 1 350 33 33 PHE CB C 39.296 0.300 1 351 33 33 PHE CD1 C 131.991 0.300 1 352 33 33 PHE CD2 C 131.991 0.300 1 353 33 33 PHE CE1 C 130.662 0.300 1 354 33 33 PHE CE2 C 130.662 0.300 1 355 33 33 PHE CZ C 128.559 0.300 1 356 33 33 PHE N N 122.553 0.300 1 357 34 34 LYS H H 8.492 0.030 1 358 34 34 LYS HA H 3.935 0.030 1 359 34 34 LYS HB2 H 1.626 0.030 2 360 34 34 LYS HB3 H 1.895 0.030 2 361 34 34 LYS HD2 H 1.539 0.030 1 362 34 34 LYS HD3 H 1.539 0.030 1 363 34 34 LYS HE2 H 2.453 0.030 2 364 34 34 LYS HE3 H 2.614 0.030 2 365 34 34 LYS HG2 H 1.411 0.030 2 366 34 34 LYS HG3 H 1.351 0.030 2 367 34 34 LYS C C 180.045 0.300 1 368 34 34 LYS CA C 60.365 0.300 1 369 34 34 LYS CB C 32.512 0.300 1 370 34 34 LYS CD C 29.738 0.300 1 371 34 34 LYS CE C 43.053 0.300 1 372 34 34 LYS CG C 26.701 0.300 1 373 34 34 LYS N N 118.297 0.300 1 374 35 35 ALA H H 8.440 0.030 1 375 35 35 ALA HA H 4.165 0.030 1 376 35 35 ALA HB H 1.627 0.030 1 377 35 35 ALA C C 181.055 0.300 1 378 35 35 ALA CA C 55.737 0.300 1 379 35 35 ALA CB C 17.380 0.300 1 380 35 35 ALA N N 124.040 0.300 1 381 36 36 GLN H H 7.749 0.030 1 382 36 36 GLN HA H 4.202 0.030 1 383 36 36 GLN HB2 H 2.424 0.030 2 384 36 36 GLN HB3 H 2.231 0.030 2 385 36 36 GLN HE21 H 7.006 0.030 2 386 36 36 GLN HE22 H 7.431 0.030 2 387 36 36 GLN HG2 H 2.433 0.030 2 388 36 36 GLN HG3 H 2.358 0.030 2 389 36 36 GLN C C 178.891 0.300 1 390 36 36 GLN CA C 58.693 0.300 1 391 36 36 GLN CB C 28.071 0.300 1 392 36 36 GLN CG C 34.041 0.300 1 393 36 36 GLN N N 122.583 0.300 1 394 36 36 GLN NE2 N 110.548 0.300 1 395 37 37 LEU H H 8.181 0.030 1 396 37 37 LEU HA H 3.609 0.030 1 397 37 37 LEU HB2 H 1.951 0.030 2 398 37 37 LEU HB3 H 0.834 0.030 2 399 37 37 LEU HD1 H 0.328 0.030 1 400 37 37 LEU HD2 H 0.349 0.030 1 401 37 37 LEU HG H 1.007 0.030 1 402 37 37 LEU C C 181.028 0.300 1 403 37 37 LEU CA C 57.673 0.300 1 404 37 37 LEU CB C 39.707 0.300 1 405 37 37 LEU CD1 C 24.955 0.300 2 406 37 37 LEU CD2 C 23.301 0.300 2 407 37 37 LEU CG C 26.087 0.300 1 408 37 37 LEU N N 118.701 0.300 1 409 38 38 PHE H H 8.312 0.030 1 410 38 38 PHE HA H 4.288 0.030 1 411 38 38 PHE HB2 H 3.333 0.030 2 412 38 38 PHE HB3 H 3.054 0.030 2 413 38 38 PHE HD1 H 6.905 0.030 1 414 38 38 PHE HD2 H 6.905 0.030 1 415 38 38 PHE HE1 H 7.218 0.030 1 416 38 38 PHE HE2 H 7.218 0.030 1 417 38 38 PHE C C 177.690 0.300 1 418 38 38 PHE CA C 58.763 0.300 1 419 38 38 PHE CB C 38.091 0.300 1 420 38 38 PHE CD1 C 131.293 0.300 1 421 38 38 PHE CD2 C 131.293 0.300 1 422 38 38 PHE CE1 C 131.352 0.300 1 423 38 38 PHE CE2 C 131.352 0.300 1 424 38 38 PHE N N 124.746 0.300 1 425 39 39 ALA H H 7.543 0.030 1 426 39 39 ALA HA H 3.642 0.030 1 427 39 39 ALA HB H 1.410 0.030 1 428 39 39 ALA C C 179.320 0.300 1 429 39 39 ALA CA C 54.968 0.300 1 430 39 39 ALA CB C 17.351 0.300 1 431 39 39 ALA N N 124.579 0.300 1 432 40 40 LEU H H 7.198 0.030 1 433 40 40 LEU HA H 3.951 0.030 1 434 40 40 LEU HB2 H 0.518 0.030 2 435 40 40 LEU HB3 H 1.182 0.030 2 436 40 40 LEU HD1 H 0.433 0.030 1 437 40 40 LEU HD2 H 0.616 0.030 1 438 40 40 LEU HG H 1.413 0.030 1 439 40 40 LEU C C 177.993 0.300 1 440 40 40 LEU CA C 56.811 0.300 1 441 40 40 LEU CB C 43.367 0.300 1 442 40 40 LEU CD1 C 24.862 0.300 2 443 40 40 LEU CD2 C 22.003 0.300 2 444 40 40 LEU CG C 26.139 0.300 1 445 40 40 LEU N N 114.180 0.300 1 446 41 41 THR H H 7.334 0.030 1 447 41 41 THR HA H 4.075 0.030 1 448 41 41 THR HB H 2.321 0.030 1 449 41 41 THR HG2 H 0.399 0.030 1 450 41 41 THR C C 175.020 0.300 1 451 41 41 THR CA C 62.758 0.300 1 452 41 41 THR CB C 72.319 0.300 1 453 41 41 THR CG2 C 20.670 0.300 1 454 41 41 THR N N 104.337 0.300 1 455 42 42 GLY H H 8.426 0.030 1 456 42 42 GLY HA2 H 4.177 0.030 2 457 42 42 GLY HA3 H 3.404 0.030 2 458 42 42 GLY C C 173.515 0.300 1 459 42 42 GLY CA C 45.234 0.300 1 460 42 42 GLY N N 111.018 0.300 1 461 43 43 VAL H H 7.787 0.030 1 462 43 43 VAL HA H 3.718 0.030 1 463 43 43 VAL HB H 1.448 0.030 1 464 43 43 VAL HG1 H 0.615 0.030 1 465 43 43 VAL HG2 H 0.349 0.030 1 466 43 43 VAL C C 174.996 0.300 1 467 43 43 VAL CA C 62.617 0.300 1 468 43 43 VAL CB C 30.703 0.300 1 469 43 43 VAL CG1 C 21.658 0.300 2 470 43 43 VAL CG2 C 21.574 0.300 2 471 43 43 VAL N N 121.194 0.300 1 472 44 44 GLN H H 8.804 0.030 1 473 44 44 GLN HA H 3.305 0.030 1 474 44 44 GLN HB2 H 1.595 0.030 2 475 44 44 GLN HB3 H 1.843 0.030 2 476 44 44 GLN HE21 H 6.905 0.030 2 477 44 44 GLN HE22 H 7.616 0.030 2 478 44 44 GLN HG2 H 2.298 0.030 2 479 44 44 GLN HG3 H 2.255 0.030 2 480 44 44 GLN C C 175.294 0.300 1 481 44 44 GLN CA C 55.421 0.300 1 482 44 44 GLN CB C 26.701 0.300 1 483 44 44 GLN CG C 33.788 0.300 1 484 44 44 GLN N N 129.554 0.300 1 485 44 44 GLN NE2 N 111.854 0.300 1 486 45 45 PRO HA H 3.814 0.030 1 487 45 45 PRO HB2 H 2.022 0.030 2 488 45 45 PRO HB3 H 1.806 0.030 2 489 45 45 PRO HD2 H 3.349 0.030 2 490 45 45 PRO HD3 H 3.073 0.030 2 491 45 45 PRO HG2 H 1.428 0.030 2 492 45 45 PRO HG3 H 2.070 0.030 2 493 45 45 PRO C C 177.846 0.300 1 494 45 45 PRO CA C 66.751 0.300 1 495 45 45 PRO CB C 32.512 0.300 1 496 45 45 PRO CD C 49.856 0.300 1 497 45 45 PRO CG C 27.084 0.300 1 498 46 46 ALA H H 8.409 0.030 1 499 46 46 ALA HA H 4.128 0.030 1 500 46 46 ALA HB H 1.333 0.030 1 501 46 46 ALA C C 178.697 0.300 1 502 46 46 ALA CA C 54.224 0.300 1 503 46 46 ALA CB C 18.806 0.300 1 504 46 46 ALA N N 116.356 0.300 1 505 47 47 ARG H H 7.977 0.030 1 506 47 47 ARG HA H 4.309 0.030 1 507 47 47 ARG HB2 H 2.209 0.030 2 508 47 47 ARG HB3 H 1.750 0.030 2 509 47 47 ARG HD2 H 3.247 0.030 1 510 47 47 ARG HD3 H 3.247 0.030 1 511 47 47 ARG HE H 7.403 0.030 1 512 47 47 ARG HG2 H 1.621 0.030 2 513 47 47 ARG HG3 H 1.503 0.030 2 514 47 47 ARG C C 175.639 0.300 1 515 47 47 ARG CA C 55.087 0.300 1 516 47 47 ARG CB C 30.908 0.300 1 517 47 47 ARG CD C 42.874 0.300 1 518 47 47 ARG CG C 27.713 0.300 1 519 47 47 ARG N N 115.154 0.300 1 520 47 47 ARG NE N 84.453 0.300 1 521 48 48 GLN H H 7.166 0.030 1 522 48 48 GLN HA H 4.273 0.030 1 523 48 48 GLN HB2 H 1.944 0.030 2 524 48 48 GLN HB3 H 1.648 0.030 2 525 48 48 GLN HE21 H 6.413 0.030 2 526 48 48 GLN HE22 H 6.741 0.030 2 527 48 48 GLN HG2 H 1.857 0.030 2 528 48 48 GLN HG3 H 2.306 0.030 2 529 48 48 GLN C C 177.581 0.300 1 530 48 48 GLN CA C 56.019 0.300 1 531 48 48 GLN CB C 30.785 0.300 1 532 48 48 GLN CG C 33.029 0.300 1 533 48 48 GLN N N 118.572 0.300 1 534 48 48 GLN NE2 N 101.576 0.300 1 535 49 49 LYS H H 8.806 0.030 1 536 49 49 LYS HA H 4.515 0.030 1 537 49 49 LYS HB2 H 1.811 0.030 2 538 49 49 LYS HB3 H 1.743 0.030 2 539 49 49 LYS HD2 H 1.714 0.030 1 540 49 49 LYS HD3 H 1.714 0.030 1 541 49 49 LYS HE2 H 2.969 0.030 1 542 49 49 LYS HE3 H 2.969 0.030 1 543 49 49 LYS HG2 H 1.429 0.030 2 544 49 49 LYS HG3 H 1.227 0.030 2 545 49 49 LYS C C 174.462 0.300 1 546 49 49 LYS CA C 56.195 0.300 1 547 49 49 LYS CB C 33.791 0.300 1 548 49 49 LYS CD C 29.716 0.300 1 549 49 49 LYS CE C 42.216 0.300 1 550 49 49 LYS CG C 25.182 0.300 1 551 49 49 LYS N N 124.559 0.300 1 552 50 50 VAL H H 9.211 0.030 1 553 50 50 VAL HA H 4.752 0.030 1 554 50 50 VAL HB H 2.016 0.030 1 555 50 50 VAL HG1 H 0.888 0.030 1 556 50 50 VAL HG2 H 0.891 0.030 1 557 50 50 VAL C C 174.559 0.300 1 558 50 50 VAL CA C 61.773 0.300 1 559 50 50 VAL CB C 32.429 0.300 1 560 50 50 VAL CG1 C 22.904 0.300 2 561 50 50 VAL CG2 C 22.904 0.300 2 562 50 50 VAL N N 127.789 0.300 1 563 51 51 MET H H 9.485 0.030 1 564 51 51 MET HA H 5.360 0.030 1 565 51 51 MET HB2 H 2.032 0.030 1 566 51 51 MET HB3 H 2.032 0.030 1 567 51 51 MET HE H 1.941 0.030 1 568 51 51 MET HG2 H 2.403 0.030 1 569 51 51 MET HG3 H 2.403 0.030 1 570 51 51 MET C C 175.555 0.300 1 571 51 51 MET CA C 54.313 0.300 1 572 51 51 MET CB C 35.308 0.300 1 573 51 51 MET CE C 16.561 0.300 1 574 51 51 MET CG C 31.689 0.300 1 575 51 51 MET N N 125.647 0.300 1 576 52 52 VAL H H 8.722 0.030 1 577 52 52 VAL HA H 4.466 0.030 1 578 52 52 VAL HB H 2.136 0.030 1 579 52 52 VAL HG1 H 1.025 0.030 1 580 52 52 VAL HG2 H 0.985 0.030 1 581 52 52 VAL C C 175.548 0.300 1 582 52 52 VAL CA C 60.892 0.300 1 583 52 52 VAL CB C 34.526 0.300 1 584 52 52 VAL CG1 C 22.422 0.300 2 585 52 52 VAL CG2 C 20.916 0.300 2 586 52 52 VAL N N 120.904 0.300 1 587 53 53 LYS H H 9.379 0.030 1 588 53 53 LYS HA H 3.971 0.030 1 589 53 53 LYS HB2 H 2.100 0.030 2 590 53 53 LYS HB3 H 1.810 0.030 2 591 53 53 LYS HD2 H 1.750 0.030 1 592 53 53 LYS HD3 H 1.750 0.030 1 593 53 53 LYS HE2 H 3.054 0.030 1 594 53 53 LYS HE3 H 3.054 0.030 1 595 53 53 LYS HG2 H 1.533 0.030 2 596 53 53 LYS HG3 H 1.494 0.030 2 597 53 53 LYS C C 176.683 0.300 1 598 53 53 LYS CA C 57.584 0.300 1 599 53 53 LYS CB C 30.751 0.300 1 600 53 53 LYS CD C 29.304 0.300 1 601 53 53 LYS CE C 42.133 0.300 1 602 53 53 LYS CG C 25.439 0.300 1 603 53 53 LYS N N 127.364 0.300 1 604 54 54 GLY H H 8.791 0.030 1 605 54 54 GLY HA2 H 3.754 0.030 2 606 54 54 GLY HA3 H 4.177 0.030 2 607 54 54 GLY C C 174.183 0.300 1 608 54 54 GLY CA C 45.533 0.300 1 609 54 54 GLY N N 107.164 0.300 1 610 55 55 GLY H H 8.114 0.030 1 611 55 55 GLY HA2 H 4.450 0.030 2 612 55 55 GLY HA3 H 3.839 0.030 2 613 55 55 GLY C C 172.374 0.300 1 614 55 55 GLY CA C 44.407 0.300 1 615 55 55 GLY N N 109.402 0.300 1 616 56 56 THR H H 8.404 0.030 1 617 56 56 THR HA H 4.822 0.030 1 618 56 56 THR HB H 4.018 0.030 1 619 56 56 THR HG2 H 1.170 0.030 1 620 56 56 THR C C 174.948 0.300 1 621 56 56 THR CA C 62.159 0.300 1 622 56 56 THR CB C 69.847 0.300 1 623 56 56 THR CG2 C 22.314 0.300 1 624 56 56 THR N N 117.306 0.300 1 625 57 57 LEU H H 8.839 0.030 1 626 57 57 LEU HA H 4.334 0.030 1 627 57 57 LEU HB2 H 1.232 0.030 2 628 57 57 LEU HB3 H 1.699 0.030 2 629 57 57 LEU HD1 H 0.754 0.030 1 630 57 57 LEU HD2 H 0.666 0.030 1 631 57 57 LEU HG H 1.654 0.030 1 632 57 57 LEU C C 177.277 0.300 1 633 57 57 LEU CA C 55.087 0.300 1 634 57 57 LEU CB C 43.737 0.300 1 635 57 57 LEU CD1 C 25.680 0.300 2 636 57 57 LEU CD2 C 24.525 0.300 2 637 57 57 LEU CG C 26.195 0.300 1 638 57 57 LEU N N 127.605 0.300 1 639 58 58 LYS H H 9.078 0.030 1 640 58 58 LYS HA H 4.346 0.030 1 641 58 58 LYS HB2 H 1.942 0.030 2 642 58 58 LYS HB3 H 2.119 0.030 2 643 58 58 LYS HD2 H 1.736 0.030 1 644 58 58 LYS HD3 H 1.736 0.030 1 645 58 58 LYS HE2 H 3.030 0.030 1 646 58 58 LYS HE3 H 3.030 0.030 1 647 58 58 LYS HG2 H 1.479 0.030 2 648 58 58 LYS HG3 H 1.663 0.030 2 649 58 58 LYS C C 174.725 0.300 1 650 58 58 LYS CA C 55.737 0.300 1 651 58 58 LYS CB C 32.522 0.300 1 652 58 58 LYS CD C 28.893 0.300 1 653 58 58 LYS CE C 42.216 0.300 1 654 58 58 LYS CG C 25.439 0.300 1 655 58 58 LYS N N 130.013 0.300 1 656 59 59 ASP H H 8.129 0.030 1 657 59 59 ASP HA H 4.225 0.030 1 658 59 59 ASP HB2 H 2.461 0.030 2 659 59 59 ASP HB3 H 2.577 0.030 2 660 59 59 ASP C C 177.742 0.300 1 661 59 59 ASP CA C 57.039 0.300 1 662 59 59 ASP CB C 41.887 0.300 1 663 59 59 ASP N N 114.772 0.300 1 664 60 60 ASP H H 8.372 0.030 1 665 60 60 ASP HA H 4.575 0.030 1 666 60 60 ASP HB2 H 2.692 0.030 1 667 60 60 ASP HB3 H 2.692 0.030 1 668 60 60 ASP C C 175.651 0.300 1 669 60 60 ASP CA C 54.612 0.300 1 670 60 60 ASP CB C 41.640 0.300 1 671 60 60 ASP N N 114.169 0.300 1 672 61 61 ASP H H 6.887 0.030 1 673 61 61 ASP HA H 4.768 0.030 1 674 61 61 ASP HB2 H 2.692 0.030 2 675 61 61 ASP HB3 H 2.522 0.030 2 676 61 61 ASP C C 174.746 0.300 1 677 61 61 ASP CA C 53.556 0.300 1 678 61 61 ASP CB C 44.518 0.300 1 679 61 61 ASP N N 117.512 0.300 1 680 62 62 TRP H H 9.003 0.030 1 681 62 62 TRP HA H 4.140 0.030 1 682 62 62 TRP HB2 H 3.573 0.030 2 683 62 62 TRP HB3 H 3.114 0.030 2 684 62 62 TRP HD1 H 7.424 0.030 1 685 62 62 TRP HE1 H 10.420 0.030 1 686 62 62 TRP HE3 H 7.437 0.030 1 687 62 62 TRP HH2 H 6.571 0.030 1 688 62 62 TRP HZ2 H 7.674 0.030 1 689 62 62 TRP HZ3 H 6.729 0.030 1 690 62 62 TRP C C 176.817 0.300 1 691 62 62 TRP CA C 59.573 0.300 1 692 62 62 TRP CB C 29.222 0.300 1 693 62 62 TRP CD1 C 127.547 0.300 1 694 62 62 TRP CE3 C 120.728 0.300 1 695 62 62 TRP CH2 C 124.053 0.300 1 696 62 62 TRP CZ2 C 114.335 0.300 1 697 62 62 TRP CZ3 C 121.947 0.300 1 698 62 62 TRP N N 125.106 0.300 1 699 62 62 TRP NE1 N 129.415 0.300 1 700 63 63 GLY H H 8.860 0.030 1 701 63 63 GLY HA2 H 3.791 0.030 2 702 63 63 GLY HA3 H 3.888 0.030 2 703 63 63 GLY C C 175.033 0.300 1 704 63 63 GLY CA C 46.800 0.300 1 705 63 63 GLY N N 107.900 0.300 1 706 64 64 ASN H H 8.820 0.030 1 707 64 64 ASN HA H 4.780 0.030 1 708 64 64 ASN HB2 H 2.834 0.030 2 709 64 64 ASN HB3 H 2.928 0.030 2 710 64 64 ASN HD21 H 6.911 0.030 2 711 64 64 ASN HD22 H 7.593 0.030 2 712 64 64 ASN C C 175.251 0.300 1 713 64 64 ASN CA C 52.764 0.300 1 714 64 64 ASN CB C 38.227 0.300 1 715 64 64 ASN N N 121.263 0.300 1 716 64 64 ASN ND2 N 112.341 0.300 1 717 65 65 ILE H H 7.680 0.030 1 718 65 65 ILE HA H 3.959 0.030 1 719 65 65 ILE HB H 2.136 0.030 1 720 65 65 ILE HD1 H 0.912 0.030 1 721 65 65 ILE HG12 H 1.637 0.030 2 722 65 65 ILE HG13 H 1.240 0.030 2 723 65 65 ILE HG2 H 0.881 0.030 1 724 65 65 ILE C C 175.280 0.300 1 725 65 65 ILE CA C 61.877 0.300 1 726 65 65 ILE CB C 38.844 0.300 1 727 65 65 ILE CD1 C 13.463 0.300 1 728 65 65 ILE CG1 C 28.042 0.300 1 729 65 65 ILE CG2 C 18.028 0.300 1 730 65 65 ILE N N 120.167 0.300 1 731 66 66 LYS H H 8.276 0.030 1 732 66 66 LYS HA H 4.385 0.030 1 733 66 66 LYS HB2 H 1.689 0.030 1 734 66 66 LYS HB3 H 1.689 0.030 1 735 66 66 LYS HD2 H 1.645 0.030 1 736 66 66 LYS HD3 H 1.645 0.030 1 737 66 66 LYS HE2 H 2.981 0.030 1 738 66 66 LYS HE3 H 2.981 0.030 1 739 66 66 LYS HG2 H 1.354 0.030 2 740 66 66 LYS HG3 H 1.408 0.030 2 741 66 66 LYS C C 175.384 0.300 1 742 66 66 LYS CA C 54.471 0.300 1 743 66 66 LYS CB C 32.265 0.300 1 744 66 66 LYS CD C 28.729 0.300 1 745 66 66 LYS CE C 42.380 0.300 1 746 66 66 LYS CG C 24.423 0.300 1 747 66 66 LYS N N 127.753 0.300 1 748 67 67 MET H H 8.086 0.030 1 749 67 67 MET HA H 4.370 0.030 1 750 67 67 MET HB2 H 0.647 0.030 2 751 67 67 MET HB3 H 0.744 0.030 2 752 67 67 MET HE H 1.535 0.030 1 753 67 67 MET HG2 H 1.629 0.030 2 754 67 67 MET HG3 H 1.822 0.030 2 755 67 67 MET C C 174.486 0.300 1 756 67 67 MET CA C 53.081 0.300 1 757 67 67 MET CB C 31.143 0.300 1 758 67 67 MET CE C 17.170 0.300 1 759 67 67 MET CG C 32.016 0.300 1 760 67 67 MET N N 123.065 0.300 1 761 68 68 LYS H H 7.121 0.030 1 762 68 68 LYS HA H 4.358 0.030 1 763 68 68 LYS HB2 H 1.656 0.030 2 764 68 68 LYS HB3 H 1.742 0.030 2 765 68 68 LYS HE2 H 2.993 0.030 1 766 68 68 LYS HE3 H 2.993 0.030 1 767 68 68 LYS HG2 H 1.428 0.030 2 768 68 68 LYS HG3 H 1.306 0.030 2 769 68 68 LYS C C 175.093 0.300 1 770 68 68 LYS CA C 54.981 0.300 1 771 68 68 LYS CB C 36.254 0.300 1 772 68 68 LYS CD C 29.304 0.300 1 773 68 68 LYS CE C 42.133 0.300 1 774 68 68 LYS CG C 24.124 0.300 1 775 68 68 LYS N N 117.728 0.300 1 776 69 69 ASN H H 8.938 0.030 1 777 69 69 ASN HA H 4.969 0.030 1 778 69 69 ASN HB2 H 2.902 0.030 2 779 69 69 ASN HB3 H 2.763 0.030 2 780 69 69 ASN HD21 H 7.195 0.030 2 781 69 69 ASN HD22 H 7.647 0.030 2 782 69 69 ASN C C 177.920 0.300 1 783 69 69 ASN CA C 54.700 0.300 1 784 69 69 ASN CB C 38.344 0.300 1 785 69 69 ASN N N 120.869 0.300 1 786 69 69 ASN ND2 N 113.457 0.300 1 787 70 70 GLY H H 9.600 0.030 1 788 70 70 GLY HA2 H 4.237 0.030 2 789 70 70 GLY HA3 H 3.899 0.030 2 790 70 70 GLY C C 174.692 0.300 1 791 70 70 GLY CA C 45.445 0.300 1 792 70 70 GLY N N 110.945 0.300 1 793 71 71 MET H H 7.504 0.030 1 794 71 71 MET HA H 4.430 0.030 1 795 71 71 MET HB2 H 2.047 0.030 2 796 71 71 MET HB3 H 2.262 0.030 2 797 71 71 MET HE H 2.121 0.030 1 798 71 71 MET HG2 H 2.417 0.030 2 799 71 71 MET HG3 H 2.738 0.030 2 800 71 71 MET C C 173.478 0.300 1 801 71 71 MET CA C 56.371 0.300 1 802 71 71 MET CB C 34.074 0.300 1 803 71 71 MET CE C 17.079 0.300 1 804 71 71 MET CG C 31.360 0.300 1 805 71 71 MET N N 118.967 0.300 1 806 72 72 THR H H 8.516 0.030 1 807 72 72 THR HA H 5.106 0.030 1 808 72 72 THR HB H 4.056 0.030 1 809 72 72 THR HG2 H 1.123 0.030 1 810 72 72 THR C C 174.026 0.300 1 811 72 72 THR CA C 62.740 0.300 1 812 72 72 THR CB C 69.929 0.300 1 813 72 72 THR CG2 C 21.912 0.300 1 814 72 72 THR N N 117.190 0.300 1 815 73 73 VAL H H 9.578 0.030 1 816 73 73 VAL HA H 4.370 0.030 1 817 73 73 VAL HB H 2.185 0.030 1 818 73 73 VAL HG1 H 1.040 0.030 1 819 73 73 VAL HG2 H 0.951 0.030 1 820 73 73 VAL C C 173.515 0.300 1 821 73 73 VAL CA C 61.490 0.300 1 822 73 73 VAL CB C 34.197 0.300 1 823 73 73 VAL CG1 C 21.892 0.300 2 824 73 73 VAL CG2 C 21.133 0.300 2 825 73 73 VAL N N 129.190 0.300 1 826 74 74 LEU H H 8.537 0.030 1 827 74 74 LEU HA H 5.274 0.030 1 828 74 74 LEU HB2 H 1.738 0.030 1 829 74 74 LEU HB3 H 1.738 0.030 1 830 74 74 LEU HD1 H 1.010 0.030 1 831 74 74 LEU HD2 H 0.965 0.030 1 832 74 74 LEU HG H 1.675 0.030 1 833 74 74 LEU C C 175.142 0.300 1 834 74 74 LEU CA C 53.784 0.300 1 835 74 74 LEU CB C 44.724 0.300 1 836 74 74 LEU CD1 C 24.650 0.300 2 837 74 74 LEU CD2 C 25.152 0.300 2 838 74 74 LEU CG C 27.852 0.300 1 839 74 74 LEU N N 127.650 0.300 1 840 75 75 MET H H 9.130 0.030 1 841 75 75 MET HA H 5.505 0.030 1 842 75 75 MET HB2 H 1.944 0.030 2 843 75 75 MET HB3 H 1.667 0.030 2 844 75 75 MET HE H 0.974 0.030 1 845 75 75 MET HG2 H 2.217 0.030 2 846 75 75 MET HG3 H 2.306 0.030 2 847 75 75 MET C C 174.754 0.300 1 848 75 75 MET CA C 54.787 0.300 1 849 75 75 MET CB C 35.637 0.300 1 850 75 75 MET CE C 17.157 0.300 1 851 75 75 MET CG C 33.005 0.300 1 852 75 75 MET N N 123.661 0.300 1 853 76 76 MET H H 9.247 0.030 1 854 76 76 MET HA H 5.151 0.030 1 855 76 76 MET HB2 H 2.305 0.030 2 856 76 76 MET HB3 H 2.046 0.030 2 857 76 76 MET HE H 2.113 0.030 1 858 76 76 MET HG2 H 2.729 0.030 2 859 76 76 MET HG3 H 2.608 0.030 2 860 76 76 MET C C 175.239 0.300 1 861 76 76 MET CA C 54.489 0.300 1 862 76 76 MET CB C 35.678 0.300 1 863 76 76 MET CE C 17.336 0.300 1 864 76 76 MET CG C 32.775 0.300 1 865 76 76 MET N N 125.038 0.300 1 866 77 77 GLY H H 8.823 0.030 1 867 77 77 GLY HA2 H 4.548 0.030 2 868 77 77 GLY HA3 H 4.152 0.030 2 869 77 77 GLY C C 172.757 0.300 1 870 77 77 GLY CA C 45.305 0.300 1 871 77 77 GLY N N 110.117 0.300 1 872 78 78 SER H H 8.518 0.030 1 873 78 78 SER HA H 4.961 0.030 1 874 78 78 SER HB2 H 3.923 0.030 1 875 78 78 SER HB3 H 3.923 0.030 1 876 78 78 SER C C 173.746 0.300 1 877 78 78 SER CA C 57.145 0.300 1 878 78 78 SER CB C 65.529 0.300 1 879 78 78 SER N N 114.907 0.300 1 880 79 79 ALA H H 9.146 0.030 1 881 79 79 ALA HA H 4.382 0.030 1 882 79 79 ALA HB H 1.512 0.030 1 883 79 79 ALA C C 177.593 0.300 1 884 79 79 ALA CA C 52.535 0.300 1 885 79 79 ALA CB C 19.520 0.300 1 886 79 79 ALA N N 126.610 0.300 1 887 80 80 ASP H H 8.346 0.030 1 888 80 80 ASP HA H 4.575 0.030 1 889 80 80 ASP HB2 H 2.667 0.030 2 890 80 80 ASP HB3 H 2.571 0.030 2 891 80 80 ASP C C 175.846 0.300 1 892 80 80 ASP CA C 54.435 0.300 1 893 80 80 ASP CB C 41.381 0.300 1 894 80 80 ASP N N 119.825 0.300 1 895 81 81 ALA H H 8.271 0.030 1 896 81 81 ALA HA H 4.334 0.030 1 897 81 81 ALA HB H 1.388 0.030 1 898 81 81 ALA C C 177.314 0.300 1 899 81 81 ALA CA C 52.237 0.300 1 900 81 81 ALA CB C 19.614 0.300 1 901 81 81 ALA N N 124.395 0.300 1 902 82 82 LEU H H 8.357 0.030 1 903 82 82 LEU HA H 4.598 0.030 1 904 82 82 LEU HB2 H 1.608 0.030 2 905 82 82 LEU HB3 H 1.574 0.030 2 906 82 82 LEU HD1 H 0.935 0.030 1 907 82 82 LEU HD2 H 0.935 0.030 1 908 82 82 LEU HG H 1.706 0.030 1 909 82 82 LEU C C 175.440 0.300 1 910 82 82 LEU CA C 52.993 0.300 1 911 82 82 LEU CB C 41.632 0.300 1 912 82 82 LEU CD1 C 23.411 0.300 2 913 82 82 LEU CD2 C 23.411 0.300 2 914 82 82 LEU CG C 27.190 0.300 1 915 82 82 LEU N N 123.389 0.300 1 916 83 83 PRO HA H 4.406 0.030 1 917 83 83 PRO HB2 H 1.919 0.030 2 918 83 83 PRO HB3 H 2.257 0.030 2 919 83 83 PRO HD2 H 3.842 0.030 2 920 83 83 PRO HD3 H 3.665 0.030 2 921 83 83 PRO HG2 H 2.036 0.030 1 922 83 83 PRO HG3 H 2.036 0.030 1 923 83 83 PRO C C 176.739 0.300 1 924 83 83 PRO CA C 63.092 0.300 1 925 83 83 PRO CB C 32.347 0.300 1 926 83 83 PRO CD C 50.439 0.300 1 927 83 83 PRO CG C 27.460 0.300 1 928 84 84 GLU H H 8.433 0.030 1 929 84 84 GLU HA H 4.225 0.030 1 930 84 84 GLU HB2 H 2.002 0.030 2 931 84 84 GLU HB3 H 1.907 0.030 2 932 84 84 GLU HG2 H 2.245 0.030 1 933 84 84 GLU HG3 H 2.245 0.030 1 934 84 84 GLU C C 176.295 0.300 1 935 84 84 GLU CA C 56.266 0.300 1 936 84 84 GLU CB C 30.497 0.300 1 937 84 84 GLU CG C 36.130 0.300 1 938 84 84 GLU N N 121.033 0.300 1 939 85 85 GLU H H 8.455 0.030 1 940 85 85 GLU HA H 4.596 0.030 1 941 85 85 GLU HB2 H 1.905 0.030 2 942 85 85 GLU HB3 H 2.040 0.030 2 943 85 85 GLU HG2 H 2.297 0.030 1 944 85 85 GLU HG3 H 2.297 0.030 1 945 85 85 GLU C C 174.737 0.300 1 946 85 85 GLU CA C 54.189 0.300 1 947 85 85 GLU CB C 29.869 0.300 1 948 85 85 GLU CG C 36.066 0.300 1 949 85 85 GLU N N 123.967 0.300 1 950 86 86 PRO HA H 4.478 0.030 1 951 86 86 PRO HB2 H 2.305 0.030 2 952 86 86 PRO HB3 H 1.967 0.030 2 953 86 86 PRO HD2 H 3.633 0.030 1 954 86 86 PRO HD3 H 3.633 0.030 1 955 86 86 PRO HG2 H 2.003 0.030 1 956 86 86 PRO HG3 H 2.003 0.030 1 957 86 86 PRO C C 177.469 0.300 1 958 86 86 PRO CA C 63.338 0.300 1 959 86 86 PRO CB C 32.265 0.300 1 960 86 86 PRO CD C 49.781 0.300 1 961 86 86 PRO CG C 27.166 0.300 1 962 87 87 SER H H 8.546 0.030 1 963 87 87 SER HA H 4.382 0.030 1 964 87 87 SER HB2 H 3.887 0.030 1 965 87 87 SER HB3 H 3.887 0.030 1 966 87 87 SER C C 174.632 0.300 1 967 87 87 SER CA C 58.377 0.300 1 968 87 87 SER CB C 63.803 0.300 1 969 87 87 SER N N 116.450 0.300 1 970 88 88 ALA H H 8.316 0.030 1 971 88 88 ALA HA H 4.346 0.030 1 972 88 88 ALA HB H 1.424 0.030 1 973 88 88 ALA C C 177.812 0.300 1 974 88 88 ALA CA C 52.624 0.300 1 975 88 88 ALA CB C 19.230 0.300 1 976 88 88 ALA N N 125.914 0.300 1 977 89 89 LYS H H 8.274 0.030 1 978 89 89 LYS HA H 4.370 0.030 1 979 89 89 LYS HB2 H 1.769 0.030 1 980 89 89 LYS HB3 H 1.769 0.030 1 981 89 89 LYS HD2 H 1.726 0.030 1 982 89 89 LYS HD3 H 1.726 0.030 1 983 89 89 LYS HE2 H 3.005 0.030 1 984 89 89 LYS HE3 H 3.005 0.030 1 985 89 89 LYS HG2 H 1.460 0.030 1 986 89 89 LYS HG3 H 1.460 0.030 1 987 89 89 LYS C C 176.962 0.300 1 988 89 89 LYS CA C 56.389 0.300 1 989 89 89 LYS CB C 33.029 0.300 1 990 89 89 LYS CD C 29.058 0.300 1 991 89 89 LYS CE C 42.133 0.300 1 992 89 89 LYS CG C 24.699 0.300 1 993 89 89 LYS N N 120.435 0.300 1 994 90 90 THR H H 8.166 0.030 1 995 90 90 THR HA H 4.417 0.030 1 996 90 90 THR HB H 4.285 0.030 1 997 90 90 THR HG2 H 1.219 0.030 1 998 90 90 THR C C 174.582 0.300 1 999 90 90 THR CA C 61.649 0.300 1 1000 90 90 THR CB C 69.806 0.300 1 1001 90 90 THR CG2 C 21.492 0.300 1 1002 90 90 THR N N 114.822 0.300 1 1003 91 91 SER H H 8.335 0.030 1 1004 91 91 SER HA H 4.491 0.030 1 1005 91 91 SER HB2 H 3.911 0.030 1 1006 91 91 SER HB3 H 3.911 0.030 1 1007 91 91 SER C C 173.969 0.300 1 1008 91 91 SER CA C 58.359 0.300 1 1009 91 91 SER CB C 64.050 0.300 1 1010 91 91 SER N N 117.892 0.300 1 1011 92 92 GLY H H 8.059 0.030 1 1012 92 92 GLY C C 178.978 0.300 1 1013 92 92 GLY CA C 46.167 0.300 1 1014 92 92 GLY N N 116.882 0.300 1 1015 93 93 PRO HA H 4.428 0.030 1 1016 93 93 PRO HB2 H 2.317 0.030 2 1017 93 93 PRO HB3 H 1.955 0.030 2 1018 93 93 PRO HD2 H 3.733 0.030 2 1019 93 93 PRO HD3 H 3.838 0.030 2 1020 93 93 PRO HG2 H 2.052 0.030 1 1021 93 93 PRO HG3 H 2.052 0.030 1 1022 93 93 PRO C C 177.148 0.300 1 1023 93 93 PRO CA C 63.565 0.300 1 1024 93 93 PRO CB C 32.018 0.300 1 1025 93 93 PRO CD C 50.776 0.300 1 1026 93 93 PRO CG C 27.413 0.300 1 1027 94 94 SER H H 8.404 0.030 1 1028 94 94 SER HA H 4.416 0.030 1 1029 94 94 SER C C 174.567 0.300 1 1030 94 94 SER CA C 58.482 0.300 1 1031 94 94 SER CB C 64.091 0.300 1 1032 94 94 SER N N 115.735 0.300 1 1033 95 95 SER HA H 4.522 0.030 1 1034 95 95 SER C C 174.502 0.300 1 1035 95 95 SER CA C 58.271 0.300 1 1036 95 95 SER CB C 64.173 0.300 1 1037 96 96 GLY H H 8.275 0.030 1 1038 96 96 GLY HA2 H 4.110 0.030 2 1039 96 96 GLY HA3 H 4.167 0.030 2 1040 96 96 GLY C C 171.829 0.300 1 1041 96 96 GLY CA C 44.689 0.300 1 1042 96 96 GLY N N 110.731 0.300 1 stop_ save_