data_11306 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Ring-H2 Finger Domain of Mouse Deltex Protein 2 ; _BMRB_accession_number 11306 _BMRB_flat_file_name bmr11306.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Muto Y. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 623 "13C chemical shifts" 465 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Ring-H2 Finger Domain of Mouse Deltex Protein 2' _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 Miyamoto K. . . 2 Muto Y. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Deltex protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ring-H2 Finger Domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 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 'Ring-H2 Finger Domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGEPEQVIRKYTEEL KVAPEEDCIICMEKLAVASG YSDMTDSKALGPMVVGRLTK CSHAFHLLCLLAMYCNGNKD GSLQCPSCKTIYGEKTGTQP WGKMEVFRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 PRO 10 GLU 11 GLN 12 VAL 13 ILE 14 ARG 15 LYS 16 TYR 17 THR 18 GLU 19 GLU 20 LEU 21 LYS 22 VAL 23 ALA 24 PRO 25 GLU 26 GLU 27 ASP 28 CYS 29 ILE 30 ILE 31 CYS 32 MET 33 GLU 34 LYS 35 LEU 36 ALA 37 VAL 38 ALA 39 SER 40 GLY 41 TYR 42 SER 43 ASP 44 MET 45 THR 46 ASP 47 SER 48 LYS 49 ALA 50 LEU 51 GLY 52 PRO 53 MET 54 VAL 55 VAL 56 GLY 57 ARG 58 LEU 59 THR 60 LYS 61 CYS 62 SER 63 HIS 64 ALA 65 PHE 66 HIS 67 LEU 68 LEU 69 CYS 70 LEU 71 LEU 72 ALA 73 MET 74 TYR 75 CYS 76 ASN 77 GLY 78 ASN 79 LYS 80 ASP 81 GLY 82 SER 83 LEU 84 GLN 85 CYS 86 PRO 87 SER 88 CYS 89 LYS 90 THR 91 ILE 92 TYR 93 GLY 94 GLU 95 LYS 96 THR 97 GLY 98 THR 99 GLN 100 PRO 101 TRP 102 GLY 103 LYS 104 MET 105 GLU 106 VAL 107 PHE 108 ARG 109 SER 110 GLY 111 PRO 112 SER 113 SER 114 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1V87 "Solution Structure Of The Ring-H2 Finger Domain Of Mouse Deltex Protein 2" 100.00 114 100.00 100.00 3.70e-77 DBJ BAB18940 "Deltex2 [Mus musculus]" 88.60 618 100.00 100.00 1.10e-64 DBJ BAB18941 "Deltex2deltaE [Mus musculus]" 88.60 573 100.00 100.00 7.84e-65 DBJ BAB28055 "unnamed protein product [Mus musculus]" 88.60 619 100.00 100.00 1.08e-64 DBJ BAC31780 "unnamed protein product [Mus musculus]" 88.60 573 100.00 100.00 7.84e-65 DBJ BAC35781 "unnamed protein product [Mus musculus]" 88.60 573 100.00 100.00 7.84e-65 GB AAI66738 "Dtx2 protein [Rattus norvegicus]" 88.60 619 98.02 100.00 1.62e-63 GB EDL19332 "deltex 2 homolog (Drosophila), isoform CRA_a [Mus musculus]" 88.60 573 100.00 100.00 7.84e-65 GB EDL19333 "deltex 2 homolog (Drosophila), isoform CRA_b [Mus musculus]" 88.60 618 100.00 100.00 1.10e-64 GB EDL19334 "deltex 2 homolog (Drosophila), isoform CRA_c, partial [Mus musculus]" 88.60 626 100.00 100.00 1.08e-64 GB EDL19335 "deltex 2 homolog (Drosophila), isoform CRA_d, partial [Mus musculus]" 88.60 580 100.00 100.00 7.36e-65 REF NP_001100627 "probable E3 ubiquitin-protein ligase DTX2 [Rattus norvegicus]" 88.60 619 98.02 100.00 1.71e-63 REF NP_001243025 "probable E3 ubiquitin-protein ligase DTX2 isoform 1 [Mus musculus]" 88.60 619 100.00 100.00 1.08e-64 REF NP_001243026 "probable E3 ubiquitin-protein ligase DTX2 isoform 3 [Mus musculus]" 88.60 573 100.00 100.00 7.84e-65 REF NP_001243027 "probable E3 ubiquitin-protein ligase DTX2 isoform 3 [Mus musculus]" 88.60 573 100.00 100.00 7.84e-65 REF NP_076231 "probable E3 ubiquitin-protein ligase DTX2 isoform 2 [Mus musculus]" 88.60 618 100.00 100.00 1.10e-64 SP Q8R3P2 "RecName: Full=Probable E3 ubiquitin-protein ligase DTX2; AltName: Full=Protein deltex-2; Short=Deltex2; Short=mDTX2" 88.60 619 100.00 100.00 1.08e-64 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 P030421-37 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.05mM Ring-H2 Domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.1mM {ZnCl;} 90% H2O, 10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.05 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' ZnCl2 0.1 mM '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 0.880 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 'Ring-H2 Finger 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 4.522 0.030 1 2 6 6 SER HB2 H 3.986 0.030 1 3 6 6 SER HB3 H 3.986 0.030 1 4 6 6 SER C C 177.196 0.300 1 5 6 6 SER CA C 61.236 0.300 1 6 6 6 SER CB C 66.187 0.300 1 7 7 7 GLY H H 8.431 0.030 1 8 7 7 GLY HA2 H 4.017 0.030 2 9 7 7 GLY HA3 H 4.073 0.030 2 10 7 7 GLY C C 176.304 0.300 1 11 7 7 GLY CA C 47.350 0.300 1 12 7 7 GLY N N 110.413 0.300 1 13 8 8 GLU H H 8.409 0.030 1 14 8 8 GLU HA H 4.584 0.030 1 15 8 8 GLU HB2 H 2.279 0.030 2 16 8 8 GLU HB3 H 2.015 0.030 2 17 8 8 GLU HG2 H 2.407 0.030 2 18 8 8 GLU HG3 H 2.460 0.030 2 19 8 8 GLU C C 176.998 0.300 1 20 8 8 GLU CA C 58.475 0.300 1 21 8 8 GLU CB C 31.210 0.300 1 22 8 8 GLU CG C 38.605 0.300 1 23 8 8 GLU N N 122.213 0.300 1 24 9 9 PRO HA H 4.102 0.030 1 25 9 9 PRO HB2 H 2.040 0.030 2 26 9 9 PRO HB3 H 2.393 0.030 2 27 9 9 PRO HD2 H 3.977 0.030 2 28 9 9 PRO HD3 H 4.070 0.030 2 29 9 9 PRO HG2 H 2.201 0.030 2 30 9 9 PRO HG3 H 2.412 0.030 2 31 9 9 PRO C C 179.727 0.300 1 32 9 9 PRO CA C 68.708 0.300 1 33 9 9 PRO CB C 34.915 0.300 1 34 9 9 PRO CD C 52.674 0.300 1 35 9 9 PRO CG C 30.342 0.300 1 36 10 10 GLU H H 9.327 0.030 1 37 10 10 GLU HA H 3.688 0.030 1 38 10 10 GLU HB2 H 1.928 0.030 2 39 10 10 GLU HB3 H 2.081 0.030 2 40 10 10 GLU HG2 H 2.319 0.030 1 41 10 10 GLU HG3 H 2.319 0.030 1 42 10 10 GLU C C 180.251 0.300 1 43 10 10 GLU CA C 63.129 0.300 1 44 10 10 GLU CB C 31.026 0.300 1 45 10 10 GLU CG C 39.645 0.300 1 46 10 10 GLU N N 116.183 0.300 1 47 11 11 GLN H H 7.505 0.030 1 48 11 11 GLN HA H 3.990 0.030 1 49 11 11 GLN HB2 H 2.172 0.030 2 50 11 11 GLN HB3 H 2.286 0.030 2 51 11 11 GLN HE21 H 7.594 0.030 2 52 11 11 GLN HE22 H 6.914 0.030 2 53 11 11 GLN HG2 H 2.427 0.030 2 54 11 11 GLN HG3 H 2.531 0.030 2 55 11 11 GLN C C 181.308 0.300 1 56 11 11 GLN CA C 60.671 0.300 1 57 11 11 GLN CB C 30.449 0.300 1 58 11 11 GLN CG C 36.430 0.300 1 59 11 11 GLN N N 116.609 0.300 1 60 11 11 GLN NE2 N 112.639 0.300 1 61 12 12 VAL H H 7.595 0.030 1 62 12 12 VAL HA H 3.279 0.030 1 63 12 12 VAL HB H 1.752 0.030 1 64 12 12 VAL HG1 H 0.914 0.030 1 65 12 12 VAL HG2 H 0.583 0.030 1 66 12 12 VAL C C 178.784 0.300 1 67 12 12 VAL CA C 68.925 0.300 1 68 12 12 VAL CB C 33.502 0.300 1 69 12 12 VAL CG1 C 24.476 0.300 2 70 12 12 VAL CG2 C 23.175 0.300 2 71 12 12 VAL N N 122.188 0.300 1 72 13 13 ILE H H 7.228 0.030 1 73 13 13 ILE HA H 3.457 0.030 1 74 13 13 ILE HB H 2.003 0.030 1 75 13 13 ILE HD1 H 0.552 0.030 1 76 13 13 ILE HG12 H 1.695 0.030 2 77 13 13 ILE HG13 H 1.025 0.030 2 78 13 13 ILE HG2 H 0.867 0.030 1 79 13 13 ILE C C 182.121 0.300 1 80 13 13 ILE CA C 65.367 0.300 1 81 13 13 ILE CB C 37.960 0.300 1 82 13 13 ILE CD1 C 12.917 0.300 1 83 13 13 ILE CG1 C 31.939 0.300 1 84 13 13 ILE CG2 C 22.224 0.300 1 85 13 13 ILE N N 115.275 0.300 1 86 14 14 ARG H H 8.009 0.030 1 87 14 14 ARG HA H 3.909 0.030 1 88 14 14 ARG HB2 H 1.910 0.030 1 89 14 14 ARG HB3 H 1.910 0.030 1 90 14 14 ARG HD2 H 3.100 0.030 2 91 14 14 ARG HD3 H 3.136 0.030 2 92 14 14 ARG HE H 7.504 0.030 1 93 14 14 ARG HG2 H 1.772 0.030 2 94 14 14 ARG HG3 H 1.823 0.030 2 95 14 14 ARG C C 179.801 0.300 1 96 14 14 ARG CA C 60.362 0.300 1 97 14 14 ARG CB C 32.926 0.300 1 98 14 14 ARG CD C 46.050 0.300 1 99 14 14 ARG CG C 29.370 0.300 1 100 14 14 ARG N N 117.984 0.300 1 101 14 14 ARG NE N 111.613 0.300 1 102 15 15 LYS H H 7.584 0.030 1 103 15 15 LYS HA H 3.950 0.030 1 104 15 15 LYS HB2 H 1.604 0.030 2 105 15 15 LYS HB3 H 1.303 0.030 2 106 15 15 LYS HD2 H 1.417 0.030 2 107 15 15 LYS HD3 H 1.492 0.030 2 108 15 15 LYS HE2 H 2.895 0.030 1 109 15 15 LYS HE3 H 2.895 0.030 1 110 15 15 LYS HG2 H 0.859 0.030 2 111 15 15 LYS HG3 H 1.045 0.030 2 112 15 15 LYS C C 180.586 0.300 1 113 15 15 LYS CA C 61.178 0.300 1 114 15 15 LYS CB C 34.415 0.300 1 115 15 15 LYS CD C 31.977 0.300 1 116 15 15 LYS CE C 44.371 0.300 1 117 15 15 LYS CG C 26.775 0.300 1 118 15 15 LYS N N 118.709 0.300 1 119 16 16 TYR H H 6.693 0.030 1 120 16 16 TYR HA H 5.077 0.030 1 121 16 16 TYR HB2 H 3.399 0.030 2 122 16 16 TYR HB3 H 2.186 0.030 2 123 16 16 TYR HD1 H 7.170 0.030 1 124 16 16 TYR HD2 H 7.170 0.030 1 125 16 16 TYR HE1 H 6.869 0.030 1 126 16 16 TYR HE2 H 6.869 0.030 1 127 16 16 TYR C C 176.199 0.300 1 128 16 16 TYR CA C 58.934 0.300 1 129 16 16 TYR CB C 41.834 0.300 1 130 16 16 TYR CD1 C 135.406 0.300 1 131 16 16 TYR CD2 C 135.406 0.300 1 132 16 16 TYR CE1 C 119.927 0.300 1 133 16 16 TYR CE2 C 119.927 0.300 1 134 16 16 TYR N N 114.240 0.300 1 135 17 17 THR H H 7.236 0.030 1 136 17 17 THR HA H 5.538 0.030 1 137 17 17 THR HB H 3.650 0.030 1 138 17 17 THR HG2 H 0.957 0.030 1 139 17 17 THR C C 176.054 0.300 1 140 17 17 THR CA C 61.307 0.300 1 141 17 17 THR CB C 76.332 0.300 1 142 17 17 THR CG2 C 24.696 0.300 1 143 17 17 THR N N 105.620 0.300 1 144 18 18 GLU H H 8.720 0.030 1 145 18 18 GLU HA H 4.694 0.030 1 146 18 18 GLU HB2 H 1.922 0.030 2 147 18 18 GLU HB3 H 2.027 0.030 2 148 18 18 GLU HG2 H 2.219 0.030 2 149 18 18 GLU HG3 H 2.324 0.030 2 150 18 18 GLU C C 177.970 0.300 1 151 18 18 GLU CA C 56.353 0.300 1 152 18 18 GLU CB C 34.767 0.300 1 153 18 18 GLU CG C 38.278 0.300 1 154 18 18 GLU N N 120.154 0.300 1 155 19 19 GLU H H 8.958 0.030 1 156 19 19 GLU HA H 4.421 0.030 1 157 19 19 GLU HB2 H 2.052 0.030 2 158 19 19 GLU HB3 H 1.984 0.030 2 159 19 19 GLU HG2 H 2.173 0.030 2 160 19 19 GLU HG3 H 2.404 0.030 2 161 19 19 GLU C C 178.704 0.300 1 162 19 19 GLU CA C 59.915 0.300 1 163 19 19 GLU CB C 32.877 0.300 1 164 19 19 GLU CG C 39.328 0.300 1 165 19 19 GLU N N 127.928 0.300 1 166 20 20 LEU H H 8.748 0.030 1 167 20 20 LEU HA H 4.733 0.030 1 168 20 20 LEU HB2 H 1.551 0.030 1 169 20 20 LEU HB3 H 1.551 0.030 1 170 20 20 LEU HD1 H 0.863 0.030 1 171 20 20 LEU HD2 H 0.938 0.030 1 172 20 20 LEU HG H 1.731 0.030 1 173 20 20 LEU C C 178.803 0.300 1 174 20 20 LEU CA C 55.693 0.300 1 175 20 20 LEU CB C 45.246 0.300 1 176 20 20 LEU CD1 C 28.013 0.300 2 177 20 20 LEU CD2 C 24.765 0.300 2 178 20 20 LEU CG C 29.333 0.300 1 179 20 20 LEU N N 126.922 0.300 1 180 21 21 LYS H H 8.726 0.030 1 181 21 21 LYS HA H 4.317 0.030 1 182 21 21 LYS HB2 H 1.903 0.030 2 183 21 21 LYS HB3 H 1.985 0.030 2 184 21 21 LYS HD2 H 1.786 0.030 1 185 21 21 LYS HD3 H 1.786 0.030 1 186 21 21 LYS HE2 H 3.090 0.030 1 187 21 21 LYS HE3 H 3.090 0.030 1 188 21 21 LYS HG2 H 1.565 0.030 2 189 21 21 LYS HG3 H 1.650 0.030 2 190 21 21 LYS C C 179.039 0.300 1 191 21 21 LYS CA C 59.912 0.300 1 192 21 21 LYS CB C 35.064 0.300 1 193 21 21 LYS CD C 31.059 0.300 1 194 21 21 LYS CE C 44.530 0.300 1 195 21 21 LYS CG C 27.472 0.300 1 196 21 21 LYS N N 122.207 0.300 1 197 22 22 VAL H H 7.558 0.030 1 198 22 22 VAL HA H 4.231 0.030 1 199 22 22 VAL HB H 1.943 0.030 1 200 22 22 VAL HG1 H 0.945 0.030 1 201 22 22 VAL HG2 H 0.926 0.030 1 202 22 22 VAL C C 177.144 0.300 1 203 22 22 VAL CA C 62.816 0.300 1 204 22 22 VAL CB C 36.466 0.300 1 205 22 22 VAL CG1 C 22.988 0.300 2 206 22 22 VAL CG2 C 23.139 0.300 2 207 22 22 VAL N N 117.694 0.300 1 208 23 23 ALA H H 8.858 0.030 1 209 23 23 ALA HA H 4.329 0.030 1 210 23 23 ALA HB H 1.315 0.030 1 211 23 23 ALA C C 177.728 0.300 1 212 23 23 ALA CA C 52.592 0.300 1 213 23 23 ALA CB C 20.149 0.300 1 214 23 23 ALA N N 130.565 0.300 1 215 24 24 PRO HA H 4.617 0.030 1 216 24 24 PRO HB2 H 2.422 0.030 2 217 24 24 PRO HB3 H 1.847 0.030 2 218 24 24 PRO HD2 H 3.302 0.030 2 219 24 24 PRO HD3 H 4.013 0.030 2 220 24 24 PRO HG2 H 1.946 0.030 1 221 24 24 PRO HG3 H 1.946 0.030 1 222 24 24 PRO C C 178.238 0.300 1 223 24 24 PRO CA C 64.144 0.300 1 224 24 24 PRO CB C 34.920 0.300 1 225 24 24 PRO CD C 52.726 0.300 1 226 24 24 PRO CG C 29.515 0.300 1 227 25 25 GLU H H 8.731 0.030 1 228 25 25 GLU HA H 4.411 0.030 1 229 25 25 GLU HB2 H 1.955 0.030 2 230 25 25 GLU HB3 H 2.194 0.030 2 231 25 25 GLU HG2 H 2.314 0.030 2 232 25 25 GLU HG3 H 2.359 0.030 2 233 25 25 GLU C C 177.904 0.300 1 234 25 25 GLU CA C 58.095 0.300 1 235 25 25 GLU CB C 30.454 0.300 1 236 25 25 GLU CG C 38.641 0.300 1 237 25 25 GLU N N 122.475 0.300 1 238 26 26 GLU H H 7.822 0.030 1 239 26 26 GLU HA H 4.600 0.030 1 240 26 26 GLU HB2 H 2.234 0.030 2 241 26 26 GLU HB3 H 1.830 0.030 2 242 26 26 GLU HG2 H 2.142 0.030 2 243 26 26 GLU HG3 H 2.298 0.030 2 244 26 26 GLU C C 176.906 0.300 1 245 26 26 GLU CA C 57.253 0.300 1 246 26 26 GLU CB C 35.685 0.300 1 247 26 26 GLU CG C 38.631 0.300 1 248 26 26 GLU N N 119.931 0.300 1 249 27 27 ASP H H 8.456 0.030 1 250 27 27 ASP HA H 4.810 0.030 1 251 27 27 ASP HB2 H 2.230 0.030 2 252 27 27 ASP HB3 H 2.360 0.030 2 253 27 27 ASP C C 178.751 0.300 1 254 27 27 ASP CA C 56.681 0.300 1 255 27 27 ASP CB C 43.574 0.300 1 256 27 27 ASP N N 119.355 0.300 1 257 28 28 CYS H H 8.975 0.030 1 258 28 28 CYS HA H 4.661 0.030 1 259 28 28 CYS HB2 H 2.687 0.030 2 260 28 28 CYS HB3 H 3.968 0.030 2 261 28 28 CYS C C 179.715 0.300 1 262 28 28 CYS CA C 61.207 0.300 1 263 28 28 CYS CB C 33.393 0.300 1 264 28 28 CYS N N 124.460 0.300 1 265 29 29 ILE H H 8.933 0.030 1 266 29 29 ILE HA H 4.573 0.030 1 267 29 29 ILE HB H 2.327 0.030 1 268 29 29 ILE HD1 H 0.988 0.030 1 269 29 29 ILE HG12 H 1.635 0.030 1 270 29 29 ILE HG13 H 1.635 0.030 1 271 29 29 ILE HG2 H 1.112 0.030 1 272 29 29 ILE C C 178.413 0.300 1 273 29 29 ILE CA C 65.326 0.300 1 274 29 29 ILE CB C 40.108 0.300 1 275 29 29 ILE CD1 C 16.509 0.300 1 276 29 29 ILE CG1 C 30.843 0.300 1 277 29 29 ILE CG2 C 21.297 0.300 1 278 29 29 ILE N N 125.573 0.300 1 279 30 30 ILE H H 8.428 0.030 1 280 30 30 ILE HA H 4.143 0.030 1 281 30 30 ILE HB H 2.073 0.030 1 282 30 30 ILE HD1 H 0.605 0.030 1 283 30 30 ILE HG12 H 1.043 0.030 2 284 30 30 ILE HG13 H 1.872 0.030 2 285 30 30 ILE HG2 H 1.096 0.030 1 286 30 30 ILE C C 178.710 0.300 1 287 30 30 ILE CA C 67.271 0.300 1 288 30 30 ILE CB C 41.043 0.300 1 289 30 30 ILE CD1 C 16.782 0.300 1 290 30 30 ILE CG1 C 30.601 0.300 1 291 30 30 ILE CG2 C 19.208 0.300 1 292 30 30 ILE N N 120.981 0.300 1 293 31 31 CYS H H 7.764 0.030 1 294 31 31 CYS HA H 5.040 0.030 1 295 31 31 CYS HB2 H 3.347 0.030 2 296 31 31 CYS HB3 H 3.609 0.030 2 297 31 31 CYS C C 177.983 0.300 1 298 31 31 CYS CA C 60.812 0.300 1 299 31 31 CYS CB C 34.678 0.300 1 300 31 31 CYS N N 115.295 0.300 1 301 32 32 MET H H 8.710 0.030 1 302 32 32 MET HA H 4.433 0.030 1 303 32 32 MET HB2 H 2.415 0.030 2 304 32 32 MET HB3 H 2.511 0.030 2 305 32 32 MET HE H 2.161 0.030 1 306 32 32 MET HG2 H 2.727 0.030 2 307 32 32 MET HG3 H 2.488 0.030 2 308 32 32 MET C C 177.850 0.300 1 309 32 32 MET CA C 59.114 0.300 1 310 32 32 MET CB C 30.380 0.300 1 311 32 32 MET CE C 18.588 0.300 1 312 32 32 MET CG C 35.286 0.300 1 313 32 32 MET N N 118.705 0.300 1 314 33 33 GLU H H 8.743 0.030 1 315 33 33 GLU HA H 4.810 0.030 1 316 33 33 GLU HB2 H 2.264 0.030 1 317 33 33 GLU HB3 H 2.264 0.030 1 318 33 33 GLU HG2 H 2.386 0.030 1 319 33 33 GLU HG3 H 2.386 0.030 1 320 33 33 GLU C C 178.856 0.300 1 321 33 33 GLU CA C 56.702 0.300 1 322 33 33 GLU CB C 33.232 0.300 1 323 33 33 GLU CG C 37.616 0.300 1 324 33 33 GLU N N 120.161 0.300 1 325 34 34 LYS H H 8.805 0.030 1 326 34 34 LYS HA H 4.500 0.030 1 327 34 34 LYS HB2 H 2.106 0.030 2 328 34 34 LYS HB3 H 1.890 0.030 2 329 34 34 LYS HD2 H 1.665 0.030 2 330 34 34 LYS HD3 H 1.811 0.030 2 331 34 34 LYS HE2 H 3.055 0.030 2 332 34 34 LYS HE3 H 3.088 0.030 2 333 34 34 LYS HG2 H 1.700 0.030 1 334 34 34 LYS HG3 H 1.700 0.030 1 335 34 34 LYS C C 179.973 0.300 1 336 34 34 LYS CA C 59.284 0.300 1 337 34 34 LYS CB C 34.915 0.300 1 338 34 34 LYS CD C 31.072 0.300 1 339 34 34 LYS CE C 44.483 0.300 1 340 34 34 LYS CG C 27.406 0.300 1 341 34 34 LYS N N 121.262 0.300 1 342 35 35 LEU H H 8.443 0.030 1 343 35 35 LEU HA H 3.701 0.030 1 344 35 35 LEU HB2 H 2.003 0.030 2 345 35 35 LEU HB3 H 1.172 0.030 2 346 35 35 LEU HD1 H 0.610 0.030 1 347 35 35 LEU HD2 H 0.388 0.030 1 348 35 35 LEU HG H 1.486 0.030 1 349 35 35 LEU C C 178.512 0.300 1 350 35 35 LEU CA C 59.584 0.300 1 351 35 35 LEU CB C 43.386 0.300 1 352 35 35 LEU CD1 C 29.736 0.300 2 353 35 35 LEU CD2 C 26.116 0.300 2 354 35 35 LEU CG C 29.729 0.300 1 355 35 35 LEU N N 121.144 0.300 1 356 36 36 ALA H H 7.859 0.030 1 357 36 36 ALA HA H 4.122 0.030 1 358 36 36 ALA HB H 1.478 0.030 1 359 36 36 ALA C C 179.498 0.300 1 360 36 36 ALA CA C 54.725 0.300 1 361 36 36 ALA CB C 22.115 0.300 1 362 36 36 ALA N N 114.516 0.300 1 363 37 37 VAL H H 7.706 0.030 1 364 37 37 VAL HA H 4.658 0.030 1 365 37 37 VAL HB H 2.477 0.030 1 366 37 37 VAL HG1 H 1.039 0.030 1 367 37 37 VAL HG2 H 1.229 0.030 1 368 37 37 VAL C C 175.623 0.300 1 369 37 37 VAL CA C 61.307 0.300 1 370 37 37 VAL CB C 36.140 0.300 1 371 37 37 VAL CG1 C 23.550 0.300 2 372 37 37 VAL CG2 C 22.653 0.300 2 373 37 37 VAL N N 114.474 0.300 1 374 38 38 ALA H H 7.896 0.030 1 375 38 38 ALA HA H 4.037 0.030 1 376 38 38 ALA HB H 1.290 0.030 1 377 38 38 ALA C C 179.332 0.300 1 378 38 38 ALA CA C 54.941 0.300 1 379 38 38 ALA CB C 21.607 0.300 1 380 38 38 ALA N N 120.348 0.300 1 381 39 39 SER H H 8.055 0.030 1 382 39 39 SER HA H 2.701 0.030 1 383 39 39 SER HB2 H 3.530 0.030 2 384 39 39 SER HB3 H 4.059 0.030 2 385 39 39 SER C C 180.125 0.300 1 386 39 39 SER CA C 60.456 0.300 1 387 39 39 SER CB C 67.333 0.300 1 388 39 39 SER N N 110.809 0.300 1 389 40 40 GLY H H 9.061 0.030 1 390 40 40 GLY HA2 H 4.265 0.030 2 391 40 40 GLY HA3 H 3.925 0.030 2 392 40 40 GLY C C 176.239 0.300 1 393 40 40 GLY CA C 49.251 0.300 1 394 40 40 GLY N N 120.304 0.300 1 395 41 41 TYR H H 8.324 0.030 1 396 41 41 TYR HA H 4.666 0.030 1 397 41 41 TYR HB2 H 3.412 0.030 2 398 41 41 TYR HB3 H 2.628 0.030 2 399 41 41 TYR HD1 H 7.408 0.030 1 400 41 41 TYR HD2 H 7.408 0.030 1 401 41 41 TYR HE1 H 6.796 0.030 1 402 41 41 TYR HE2 H 6.796 0.030 1 403 41 41 TYR C C 178.447 0.300 1 404 41 41 TYR CA C 60.860 0.300 1 405 41 41 TYR CB C 39.965 0.300 1 406 41 41 TYR CD1 C 135.483 0.300 1 407 41 41 TYR CD2 C 135.483 0.300 1 408 41 41 TYR CE1 C 120.213 0.300 1 409 41 41 TYR CE2 C 120.213 0.300 1 410 41 41 TYR N N 120.115 0.300 1 411 42 42 SER H H 7.560 0.030 1 412 42 42 SER HA H 4.097 0.030 1 413 42 42 SER HB2 H 3.951 0.030 2 414 42 42 SER HB3 H 4.013 0.030 2 415 42 42 SER C C 176.805 0.300 1 416 42 42 SER CA C 64.143 0.300 1 417 42 42 SER CB C 65.978 0.300 1 418 42 42 SER N N 115.953 0.300 1 419 43 43 ASP H H 8.634 0.030 1 420 43 43 ASP HA H 4.744 0.030 1 421 43 43 ASP HB2 H 2.732 0.030 2 422 43 43 ASP HB3 H 2.840 0.030 2 423 43 43 ASP C C 178.763 0.300 1 424 43 43 ASP CA C 57.335 0.300 1 425 43 43 ASP CB C 42.782 0.300 1 426 43 43 ASP N N 119.245 0.300 1 427 44 44 MET H H 7.961 0.030 1 428 44 44 MET HA H 4.665 0.030 1 429 44 44 MET HB2 H 2.135 0.030 2 430 44 44 MET HB3 H 2.367 0.030 2 431 44 44 MET HE H 2.070 0.030 1 432 44 44 MET HG2 H 2.636 0.030 1 433 44 44 MET HG3 H 2.636 0.030 1 434 44 44 MET C C 178.301 0.300 1 435 44 44 MET CA C 58.357 0.300 1 436 44 44 MET CB C 36.259 0.300 1 437 44 44 MET CE C 19.415 0.300 1 438 44 44 MET CG C 34.447 0.300 1 439 44 44 MET N N 118.349 0.300 1 440 45 45 THR H H 7.913 0.030 1 441 45 45 THR HA H 4.570 0.030 1 442 45 45 THR HB H 4.196 0.030 1 443 45 45 THR HG2 H 1.289 0.030 1 444 45 45 THR C C 175.513 0.300 1 445 45 45 THR CA C 63.958 0.300 1 446 45 45 THR CB C 72.675 0.300 1 447 45 45 THR CG2 C 23.431 0.300 1 448 45 45 THR N N 114.543 0.300 1 449 46 46 ASP H H 8.499 0.030 1 450 46 46 ASP HA H 4.797 0.030 1 451 46 46 ASP HB2 H 2.698 0.030 2 452 46 46 ASP HB3 H 2.804 0.030 2 453 46 46 ASP C C 178.185 0.300 1 454 46 46 ASP CA C 56.350 0.300 1 455 46 46 ASP CB C 43.807 0.300 1 456 46 46 ASP N N 123.315 0.300 1 457 47 47 SER H H 8.278 0.030 1 458 47 47 SER HA H 4.525 0.030 1 459 47 47 SER HB2 H 3.819 0.030 2 460 47 47 SER HB3 H 3.930 0.030 2 461 47 47 SER C C 177.580 0.300 1 462 47 47 SER CA C 60.481 0.300 1 463 47 47 SER CB C 66.712 0.300 1 464 47 47 SER N N 115.875 0.300 1 465 48 48 LYS H H 8.998 0.030 1 466 48 48 LYS HA H 4.488 0.030 1 467 48 48 LYS HB2 H 1.853 0.030 2 468 48 48 LYS HB3 H 2.003 0.030 2 469 48 48 LYS HD2 H 1.750 0.030 1 470 48 48 LYS HD3 H 1.750 0.030 1 471 48 48 LYS HE2 H 3.068 0.030 1 472 48 48 LYS HE3 H 3.068 0.030 1 473 48 48 LYS HG2 H 1.528 0.030 1 474 48 48 LYS HG3 H 1.528 0.030 1 475 48 48 LYS C C 179.359 0.300 1 476 48 48 LYS CA C 58.642 0.300 1 477 48 48 LYS CB C 34.767 0.300 1 478 48 48 LYS CD C 31.176 0.300 1 479 48 48 LYS CE C 44.567 0.300 1 480 48 48 LYS CG C 27.026 0.300 1 481 48 48 LYS N N 125.529 0.300 1 482 49 49 ALA H H 8.407 0.030 1 483 49 49 ALA HA H 4.401 0.030 1 484 49 49 ALA HB H 1.414 0.030 1 485 49 49 ALA C C 179.705 0.300 1 486 49 49 ALA CA C 55.505 0.300 1 487 49 49 ALA CB C 22.448 0.300 1 488 49 49 ALA N N 122.099 0.300 1 489 50 50 LEU H H 7.677 0.030 1 490 50 50 LEU HA H 4.587 0.030 1 491 50 50 LEU HB2 H 1.266 0.030 2 492 50 50 LEU HB3 H 1.792 0.030 2 493 50 50 LEU HD1 H 0.880 0.030 1 494 50 50 LEU HD2 H 0.868 0.030 1 495 50 50 LEU HG H 1.602 0.030 1 496 50 50 LEU C C 177.375 0.300 1 497 50 50 LEU CA C 55.836 0.300 1 498 50 50 LEU CB C 45.411 0.300 1 499 50 50 LEU CD1 C 28.573 0.300 2 500 50 50 LEU CD2 C 26.362 0.300 2 501 50 50 LEU CG C 28.963 0.300 1 502 50 50 LEU N N 118.766 0.300 1 503 51 51 GLY H H 7.968 0.030 1 504 51 51 GLY HA2 H 4.121 0.030 2 505 51 51 GLY HA3 H 4.490 0.030 2 506 51 51 GLY C C 175.645 0.300 1 507 51 51 GLY CA C 46.968 0.300 1 508 51 51 GLY N N 109.024 0.300 1 509 52 52 PRO HA H 4.447 0.030 1 510 52 52 PRO HB2 H 2.089 0.030 2 511 52 52 PRO HB3 H 2.439 0.030 2 512 52 52 PRO HD2 H 3.840 0.030 2 513 52 52 PRO HD3 H 3.888 0.030 2 514 52 52 PRO HG2 H 2.061 0.030 2 515 52 52 PRO HG3 H 2.220 0.030 2 516 52 52 PRO C C 178.132 0.300 1 517 52 52 PRO CA C 67.049 0.300 1 518 52 52 PRO CB C 35.676 0.300 1 519 52 52 PRO CD C 52.408 0.300 1 520 52 52 PRO CG C 29.591 0.300 1 521 53 53 MET H H 8.587 0.030 1 522 53 53 MET HA H 5.006 0.030 1 523 53 53 MET HB2 H 2.409 0.030 2 524 53 53 MET HB3 H 2.092 0.030 2 525 53 53 MET HE H 2.183 0.030 1 526 53 53 MET HG2 H 2.755 0.030 2 527 53 53 MET HG3 H 2.437 0.030 2 528 53 53 MET C C 179.674 0.300 1 529 53 53 MET CA C 55.880 0.300 1 530 53 53 MET CB C 33.535 0.300 1 531 53 53 MET CE C 18.582 0.300 1 532 53 53 MET CG C 34.595 0.300 1 533 53 53 MET N N 113.276 0.300 1 534 54 54 VAL H H 7.240 0.030 1 535 54 54 VAL HA H 4.204 0.030 1 536 54 54 VAL HB H 2.196 0.030 1 537 54 54 VAL HG1 H 1.135 0.030 1 538 54 54 VAL HG2 H 1.195 0.030 1 539 54 54 VAL C C 178.843 0.300 1 540 54 54 VAL CA C 65.943 0.300 1 541 54 54 VAL CB C 34.216 0.300 1 542 54 54 VAL CG1 C 24.009 0.300 2 543 54 54 VAL CG2 C 24.198 0.300 2 544 54 54 VAL N N 118.363 0.300 1 545 55 55 VAL H H 9.758 0.030 1 546 55 55 VAL HA H 5.003 0.030 1 547 55 55 VAL HB H 2.030 0.030 1 548 55 55 VAL HG1 H 1.002 0.030 1 549 55 55 VAL HG2 H 1.103 0.030 1 550 55 55 VAL C C 176.773 0.300 1 551 55 55 VAL CA C 62.684 0.300 1 552 55 55 VAL CB C 37.707 0.300 1 553 55 55 VAL CG1 C 25.534 0.300 2 554 55 55 VAL CG2 C 24.226 0.300 2 555 55 55 VAL N N 130.679 0.300 1 556 56 56 GLY H H 8.582 0.030 1 557 56 56 GLY HA2 H 5.113 0.030 2 558 56 56 GLY HA3 H 3.614 0.030 2 559 56 56 GLY C C 172.285 0.300 1 560 56 56 GLY CA C 47.722 0.300 1 561 56 56 GLY N N 109.284 0.300 1 562 57 57 ARG H H 8.767 0.030 1 563 57 57 ARG HA H 5.422 0.030 1 564 57 57 ARG HB2 H 1.587 0.030 2 565 57 57 ARG HB3 H 1.624 0.030 2 566 57 57 ARG HD2 H 3.215 0.030 2 567 57 57 ARG HD3 H 3.245 0.030 2 568 57 57 ARG HE H 7.291 0.030 1 569 57 57 ARG HG2 H 1.536 0.030 2 570 57 57 ARG HG3 H 1.680 0.030 2 571 57 57 ARG C C 178.856 0.300 1 572 57 57 ARG CA C 55.314 0.300 1 573 57 57 ARG CB C 35.824 0.300 1 574 57 57 ARG CD C 46.013 0.300 1 575 57 57 ARG CG C 29.533 0.300 1 576 57 57 ARG N N 116.924 0.300 1 577 57 57 ARG NE N 110.861 0.300 1 578 58 58 LEU H H 8.846 0.030 1 579 58 58 LEU HA H 4.995 0.030 1 580 58 58 LEU HB2 H 1.804 0.030 2 581 58 58 LEU HB3 H 2.416 0.030 2 582 58 58 LEU HD1 H 1.221 0.030 1 583 58 58 LEU HD2 H 0.407 0.030 1 584 58 58 LEU HG H 1.809 0.030 1 585 58 58 LEU C C 171.842 0.300 1 586 58 58 LEU CA C 57.706 0.300 1 587 58 58 LEU CB C 44.417 0.300 1 588 58 58 LEU CD1 C 29.484 0.300 2 589 58 58 LEU CD2 C 25.837 0.300 2 590 58 58 LEU CG C 29.793 0.300 1 591 58 58 LEU N N 126.175 0.300 1 592 59 59 THR H H 7.904 0.030 1 593 59 59 THR HA H 4.018 0.030 1 594 59 59 THR HB H 4.532 0.030 1 595 59 59 THR HG2 H 1.318 0.030 1 596 59 59 THR C C 178.699 0.300 1 597 59 59 THR CA C 67.906 0.300 1 598 59 59 THR CB C 71.335 0.300 1 599 59 59 THR CG2 C 24.921 0.300 1 600 59 59 THR N N 110.971 0.300 1 601 60 60 LYS H H 7.958 0.030 1 602 60 60 LYS HA H 4.733 0.030 1 603 60 60 LYS HB2 H 1.980 0.030 2 604 60 60 LYS HB3 H 2.019 0.030 2 605 60 60 LYS HD2 H 1.524 0.030 2 606 60 60 LYS HD3 H 1.634 0.030 2 607 60 60 LYS HE2 H 2.831 0.030 1 608 60 60 LYS HE3 H 2.831 0.030 1 609 60 60 LYS HG2 H 1.565 0.030 2 610 60 60 LYS HG3 H 1.628 0.030 2 611 60 60 LYS C C 178.995 0.300 1 612 60 60 LYS CA C 60.346 0.300 1 613 60 60 LYS CB C 35.199 0.300 1 614 60 60 LYS CD C 31.383 0.300 1 615 60 60 LYS CE C 44.042 0.300 1 616 60 60 LYS CG C 27.621 0.300 1 617 60 60 LYS N N 118.828 0.300 1 618 61 61 CYS H H 7.390 0.030 1 619 61 61 CYS HA H 4.823 0.030 1 620 61 61 CYS HB2 H 3.225 0.030 2 621 61 61 CYS HB3 H 2.955 0.030 2 622 61 61 CYS C C 177.144 0.300 1 623 61 61 CYS CA C 60.199 0.300 1 624 61 61 CYS CB C 35.469 0.300 1 625 61 61 CYS N N 114.377 0.300 1 626 62 62 SER H H 7.720 0.030 1 627 62 62 SER HA H 4.217 0.030 1 628 62 62 SER HB2 H 4.065 0.030 1 629 62 62 SER HB3 H 4.065 0.030 1 630 62 62 SER C C 175.488 0.300 1 631 62 62 SER CA C 63.039 0.300 1 632 62 62 SER CB C 64.618 0.300 1 633 62 62 SER N N 112.922 0.300 1 634 63 63 HIS H H 7.797 0.030 1 635 63 63 HIS HA H 4.622 0.030 1 636 63 63 HIS HB2 H 3.287 0.030 2 637 63 63 HIS HB3 H 3.559 0.030 2 638 63 63 HIS HD2 H 7.402 0.030 1 639 63 63 HIS HE1 H 7.978 0.030 1 640 63 63 HIS C C 175.206 0.300 1 641 63 63 HIS CA C 63.075 0.300 1 642 63 63 HIS CB C 33.428 0.300 1 643 63 63 HIS CD2 C 121.448 0.300 1 644 63 63 HIS CE1 C 140.531 0.300 1 645 63 63 HIS N N 123.069 0.300 1 646 64 64 ALA H H 8.573 0.030 1 647 64 64 ALA HA H 5.409 0.030 1 648 64 64 ALA HB H 1.105 0.030 1 649 64 64 ALA C C 176.602 0.300 1 650 64 64 ALA CA C 52.613 0.300 1 651 64 64 ALA CB C 24.257 0.300 1 652 64 64 ALA N N 125.898 0.300 1 653 65 65 PHE H H 8.446 0.030 1 654 65 65 PHE HA H 5.126 0.030 1 655 65 65 PHE HB2 H 3.608 0.030 2 656 65 65 PHE HB3 H 2.267 0.030 2 657 65 65 PHE HD1 H 7.460 0.030 1 658 65 65 PHE HD2 H 7.460 0.030 1 659 65 65 PHE HE1 H 7.457 0.030 1 660 65 65 PHE HE2 H 7.457 0.030 1 661 65 65 PHE HZ H 7.478 0.030 1 662 65 65 PHE C C 179.253 0.300 1 663 65 65 PHE CA C 59.284 0.300 1 664 65 65 PHE CB C 48.106 0.300 1 665 65 65 PHE CD1 C 133.558 0.300 1 666 65 65 PHE CD2 C 133.558 0.300 1 667 65 65 PHE CE1 C 133.570 0.300 1 668 65 65 PHE CE2 C 133.570 0.300 1 669 65 65 PHE CZ C 132.107 0.300 1 670 65 65 PHE N N 112.830 0.300 1 671 66 66 HIS H H 8.193 0.030 1 672 66 66 HIS HA H 5.172 0.030 1 673 66 66 HIS HB2 H 4.492 0.030 2 674 66 66 HIS HB3 H 3.947 0.030 2 675 66 66 HIS HD2 H 7.199 0.030 1 676 66 66 HIS HE1 H 7.402 0.030 1 677 66 66 HIS C C 180.760 0.300 1 678 66 66 HIS CA C 61.358 0.300 1 679 66 66 HIS CB C 32.841 0.300 1 680 66 66 HIS CD2 C 121.957 0.300 1 681 66 66 HIS CE1 C 141.456 0.300 1 682 66 66 HIS N N 118.881 0.300 1 683 67 67 LEU H H 9.217 0.030 1 684 67 67 LEU HA H 4.130 0.030 1 685 67 67 LEU HB2 H 1.455 0.030 2 686 67 67 LEU HB3 H 1.817 0.030 2 687 67 67 LEU HD1 H 0.856 0.030 1 688 67 67 LEU HD2 H 0.826 0.030 1 689 67 67 LEU HG H 1.632 0.030 1 690 67 67 LEU C C 181.335 0.300 1 691 67 67 LEU CA C 61.174 0.300 1 692 67 67 LEU CB C 42.784 0.300 1 693 67 67 LEU CD1 C 28.571 0.300 2 694 67 67 LEU CD2 C 25.415 0.300 2 695 67 67 LEU CG C 30.348 0.300 1 696 67 67 LEU N N 127.370 0.300 1 697 68 68 LEU H H 10.267 0.030 1 698 68 68 LEU HA H 4.095 0.030 1 699 68 68 LEU HB2 H 1.615 0.030 2 700 68 68 LEU HB3 H 1.703 0.030 2 701 68 68 LEU HD1 H 0.939 0.030 1 702 68 68 LEU HD2 H 1.040 0.030 1 703 68 68 LEU HG H 1.659 0.030 1 704 68 68 LEU C C 180.866 0.300 1 705 68 68 LEU CA C 59.773 0.300 1 706 68 68 LEU CB C 44.687 0.300 1 707 68 68 LEU CD1 C 27.642 0.300 2 708 68 68 LEU CD2 C 26.541 0.300 2 709 68 68 LEU CG C 29.387 0.300 1 710 68 68 LEU N N 120.506 0.300 1 711 69 69 CYS H H 6.834 0.030 1 712 69 69 CYS HA H 4.019 0.030 1 713 69 69 CYS HB2 H 3.067 0.030 2 714 69 69 CYS HB3 H 3.567 0.030 2 715 69 69 CYS C C 179.676 0.300 1 716 69 69 CYS CA C 65.790 0.300 1 717 69 69 CYS CB C 30.947 0.300 1 718 69 69 CYS N N 116.833 0.300 1 719 70 70 LEU H H 7.412 0.030 1 720 70 70 LEU HA H 3.874 0.030 1 721 70 70 LEU HB2 H 1.354 0.030 2 722 70 70 LEU HB3 H 1.918 0.030 2 723 70 70 LEU HD1 H 0.768 0.030 1 724 70 70 LEU HD2 H 0.433 0.030 1 725 70 70 LEU HG H 1.488 0.030 1 726 70 70 LEU C C 180.628 0.300 1 727 70 70 LEU CA C 60.038 0.300 1 728 70 70 LEU CB C 45.145 0.300 1 729 70 70 LEU CD1 C 28.242 0.300 2 730 70 70 LEU CD2 C 25.526 0.300 2 731 70 70 LEU CG C 28.825 0.300 1 732 70 70 LEU N N 119.399 0.300 1 733 71 71 LEU H H 8.314 0.030 1 734 71 71 LEU HA H 3.984 0.030 1 735 71 71 LEU HB2 H 1.452 0.030 2 736 71 71 LEU HB3 H 2.272 0.030 2 737 71 71 LEU HD1 H 1.056 0.030 1 738 71 71 LEU HD2 H 0.908 0.030 1 739 71 71 LEU HG H 1.726 0.030 1 740 71 71 LEU C C 180.237 0.300 1 741 71 71 LEU CA C 60.870 0.300 1 742 71 71 LEU CB C 44.230 0.300 1 743 71 71 LEU CD1 C 28.875 0.300 2 744 71 71 LEU CD2 C 27.251 0.300 2 745 71 71 LEU CG C 29.333 0.300 1 746 71 71 LEU N N 120.304 0.300 1 747 72 72 ALA H H 8.294 0.030 1 748 72 72 ALA HA H 3.880 0.030 1 749 72 72 ALA HB H 1.047 0.030 1 750 72 72 ALA C C 182.294 0.300 1 751 72 72 ALA CA C 57.625 0.300 1 752 72 72 ALA CB C 19.685 0.300 1 753 72 72 ALA N N 123.077 0.300 1 754 73 73 MET H H 7.997 0.030 1 755 73 73 MET HA H 4.084 0.030 1 756 73 73 MET HB2 H 2.174 0.030 2 757 73 73 MET HB3 H 2.253 0.030 2 758 73 73 MET HE H 2.101 0.030 1 759 73 73 MET HG2 H 2.397 0.030 2 760 73 73 MET HG3 H 2.715 0.030 2 761 73 73 MET C C 182.069 0.300 1 762 73 73 MET CA C 60.799 0.300 1 763 73 73 MET CB C 35.501 0.300 1 764 73 73 MET CE C 20.289 0.300 1 765 73 73 MET CG C 34.305 0.300 1 766 73 73 MET N N 117.329 0.300 1 767 74 74 TYR H H 8.857 0.030 1 768 74 74 TYR HA H 4.224 0.030 1 769 74 74 TYR HB2 H 3.294 0.030 2 770 74 74 TYR HB3 H 3.109 0.030 2 771 74 74 TYR HD1 H 7.218 0.030 1 772 74 74 TYR HD2 H 7.218 0.030 1 773 74 74 TYR HE1 H 6.996 0.030 1 774 74 74 TYR HE2 H 6.996 0.030 1 775 74 74 TYR C C 181.388 0.300 1 776 74 74 TYR CA C 64.036 0.300 1 777 74 74 TYR CB C 41.567 0.300 1 778 74 74 TYR CD1 C 135.406 0.300 1 779 74 74 TYR CD2 C 135.406 0.300 1 780 74 74 TYR CE1 C 120.688 0.300 1 781 74 74 TYR CE2 C 120.688 0.300 1 782 74 74 TYR N N 122.339 0.300 1 783 75 75 CYS H H 8.870 0.030 1 784 75 75 CYS HA H 3.992 0.030 1 785 75 75 CYS HB2 H 3.064 0.030 2 786 75 75 CYS HB3 H 3.183 0.030 2 787 75 75 CYS C C 176.668 0.300 1 788 75 75 CYS CA C 65.642 0.300 1 789 75 75 CYS CB C 29.188 0.300 1 790 75 75 CYS N N 116.000 0.300 1 791 76 76 ASN H H 7.527 0.030 1 792 76 76 ASN HA H 4.905 0.030 1 793 76 76 ASN HB2 H 2.998 0.030 2 794 76 76 ASN HB3 H 2.831 0.030 2 795 76 76 ASN HD21 H 7.627 0.030 2 796 76 76 ASN HD22 H 6.932 0.030 2 797 76 76 ASN C C 177.910 0.300 1 798 76 76 ASN CA C 55.657 0.300 1 799 76 76 ASN CB C 41.535 0.300 1 800 76 76 ASN N N 117.211 0.300 1 801 76 76 ASN ND2 N 112.401 0.300 1 802 77 77 GLY H H 7.254 0.030 1 803 77 77 GLY HA2 H 3.914 0.030 2 804 77 77 GLY HA3 H 4.495 0.030 2 805 77 77 GLY C C 175.768 0.300 1 806 77 77 GLY CA C 46.876 0.300 1 807 77 77 GLY N N 108.646 0.300 1 808 78 78 ASN H H 8.457 0.030 1 809 78 78 ASN HA H 4.462 0.030 1 810 78 78 ASN HB2 H 2.823 0.030 1 811 78 78 ASN HB3 H 2.823 0.030 1 812 78 78 ASN HD21 H 6.852 0.030 2 813 78 78 ASN HD22 H 7.600 0.030 2 814 78 78 ASN C C 178.215 0.300 1 815 78 78 ASN CA C 56.126 0.300 1 816 78 78 ASN CB C 40.251 0.300 1 817 78 78 ASN N N 119.149 0.300 1 818 78 78 ASN ND2 N 111.810 0.300 1 819 79 79 LYS H H 9.204 0.030 1 820 79 79 LYS HA H 3.423 0.030 1 821 79 79 LYS HB2 H 1.819 0.030 2 822 79 79 LYS HB3 H 1.964 0.030 2 823 79 79 LYS HD2 H 1.774 0.030 2 824 79 79 LYS HD3 H 1.882 0.030 2 825 79 79 LYS HE2 H 3.126 0.030 1 826 79 79 LYS HE3 H 3.126 0.030 1 827 79 79 LYS HG2 H 1.048 0.030 2 828 79 79 LYS HG3 H 1.211 0.030 2 829 79 79 LYS C C 178.520 0.300 1 830 79 79 LYS CA C 58.989 0.300 1 831 79 79 LYS CB C 31.407 0.300 1 832 79 79 LYS CD C 31.706 0.300 1 833 79 79 LYS CE C 43.990 0.300 1 834 79 79 LYS CG C 26.297 0.300 1 835 79 79 LYS N N 119.399 0.300 1 836 80 80 ASP H H 8.059 0.030 1 837 80 80 ASP HA H 4.743 0.030 1 838 80 80 ASP HB2 H 3.249 0.030 2 839 80 80 ASP HB3 H 2.415 0.030 2 840 80 80 ASP C C 179.868 0.300 1 841 80 80 ASP CA C 55.465 0.300 1 842 80 80 ASP CB C 43.669 0.300 1 843 80 80 ASP N N 118.041 0.300 1 844 81 81 GLY H H 8.530 0.030 1 845 81 81 GLY HA2 H 4.592 0.030 2 846 81 81 GLY HA3 H 3.833 0.030 2 847 81 81 GLY C C 175.289 0.300 1 848 81 81 GLY CA C 47.765 0.300 1 849 81 81 GLY N N 108.598 0.300 1 850 82 82 SER H H 8.622 0.030 1 851 82 82 SER HA H 5.370 0.030 1 852 82 82 SER HB2 H 3.777 0.030 2 853 82 82 SER HB3 H 3.898 0.030 2 854 82 82 SER C C 175.200 0.300 1 855 82 82 SER CA C 59.432 0.300 1 856 82 82 SER CB C 68.778 0.300 1 857 82 82 SER N N 117.835 0.300 1 858 83 83 LEU H H 8.870 0.030 1 859 83 83 LEU HA H 4.844 0.030 1 860 83 83 LEU HB2 H 1.382 0.030 2 861 83 83 LEU HB3 H 1.645 0.030 2 862 83 83 LEU HD1 H 0.704 0.030 1 863 83 83 LEU HD2 H 0.855 0.030 1 864 83 83 LEU HG H 1.480 0.030 1 865 83 83 LEU C C 176.186 0.300 1 866 83 83 LEU CA C 56.501 0.300 1 867 83 83 LEU CB C 48.813 0.300 1 868 83 83 LEU CD1 C 29.007 0.300 2 869 83 83 LEU CD2 C 27.544 0.300 2 870 83 83 LEU CG C 29.364 0.300 1 871 83 83 LEU N N 121.228 0.300 1 872 84 84 GLN H H 8.593 0.030 1 873 84 84 GLN HA H 5.268 0.030 1 874 84 84 GLN HB2 H 1.991 0.030 2 875 84 84 GLN HB3 H 1.754 0.030 2 876 84 84 GLN HE21 H 7.160 0.030 2 877 84 84 GLN HE22 H 7.514 0.030 2 878 84 84 GLN HG2 H 2.015 0.030 1 879 84 84 GLN HG3 H 2.015 0.030 1 880 84 84 GLN C C 177.223 0.300 1 881 84 84 GLN CA C 55.541 0.300 1 882 84 84 GLN CB C 33.773 0.300 1 883 84 84 GLN CG C 36.471 0.300 1 884 84 84 GLN N N 125.738 0.300 1 885 84 84 GLN NE2 N 113.238 0.300 1 886 85 85 CYS H H 9.128 0.030 1 887 85 85 CYS HA H 4.294 0.030 1 888 85 85 CYS HB2 H 3.136 0.030 2 889 85 85 CYS HB3 H 3.488 0.030 2 890 85 85 CYS C C 178.431 0.300 1 891 85 85 CYS CA C 59.469 0.300 1 892 85 85 CYS CB C 34.168 0.300 1 893 85 85 CYS N N 128.763 0.300 1 894 86 86 PRO HA H 4.523 0.030 1 895 86 86 PRO HB2 H 1.924 0.030 2 896 86 86 PRO HB3 H 2.373 0.030 2 897 86 86 PRO HD2 H 3.663 0.030 2 898 86 86 PRO HD3 H 3.746 0.030 2 899 86 86 PRO HG2 H 1.662 0.030 2 900 86 86 PRO HG3 H 1.725 0.030 2 901 86 86 PRO C C 179.621 0.300 1 902 86 86 PRO CA C 66.534 0.300 1 903 86 86 PRO CB C 34.408 0.300 1 904 86 86 PRO CD C 52.435 0.300 1 905 86 86 PRO CG C 29.650 0.300 1 906 87 87 SER H H 9.247 0.030 1 907 87 87 SER HA H 4.498 0.030 1 908 87 87 SER HB2 H 3.315 0.030 2 909 87 87 SER HB3 H 3.444 0.030 2 910 87 87 SER C C 177.493 0.300 1 911 87 87 SER CA C 62.907 0.300 1 912 87 87 SER CB C 65.321 0.300 1 913 87 87 SER N N 116.982 0.300 1 914 88 88 CYS H H 8.348 0.030 1 915 88 88 CYS HA H 5.133 0.030 1 916 88 88 CYS HB2 H 2.935 0.030 2 917 88 88 CYS HB3 H 3.613 0.030 2 918 88 88 CYS C C 178.066 0.300 1 919 88 88 CYS CA C 60.439 0.300 1 920 88 88 CYS CB C 35.156 0.300 1 921 88 88 CYS N N 118.186 0.300 1 922 89 89 LYS H H 8.216 0.030 1 923 89 89 LYS HA H 4.157 0.030 1 924 89 89 LYS HB2 H 2.360 0.030 2 925 89 89 LYS HB3 H 2.059 0.030 2 926 89 89 LYS HD2 H 1.570 0.030 2 927 89 89 LYS HD3 H 1.674 0.030 2 928 89 89 LYS HE2 H 2.997 0.030 1 929 89 89 LYS HE3 H 2.997 0.030 1 930 89 89 LYS HG2 H 1.259 0.030 2 931 89 89 LYS HG3 H 1.463 0.030 2 932 89 89 LYS C C 178.122 0.300 1 933 89 89 LYS CA C 60.165 0.300 1 934 89 89 LYS CB C 30.996 0.300 1 935 89 89 LYS CD C 30.682 0.300 1 936 89 89 LYS CE C 44.816 0.300 1 937 89 89 LYS CG C 27.556 0.300 1 938 89 89 LYS N N 117.009 0.300 1 939 90 90 THR H H 8.254 0.030 1 940 90 90 THR HA H 4.069 0.030 1 941 90 90 THR HB H 4.141 0.030 1 942 90 90 THR HG2 H 0.923 0.030 1 943 90 90 THR C C 175.220 0.300 1 944 90 90 THR CA C 68.296 0.300 1 945 90 90 THR CB C 71.343 0.300 1 946 90 90 THR CG2 C 23.496 0.300 1 947 90 90 THR N N 120.577 0.300 1 948 91 91 ILE H H 8.564 0.030 1 949 91 91 ILE HA H 4.465 0.030 1 950 91 91 ILE HB H 1.723 0.030 1 951 91 91 ILE HD1 H 0.918 0.030 1 952 91 91 ILE HG12 H 1.007 0.030 2 953 91 91 ILE HG13 H 1.817 0.030 2 954 91 91 ILE HG2 H 0.820 0.030 1 955 91 91 ILE C C 176.834 0.300 1 956 91 91 ILE CA C 63.395 0.300 1 957 91 91 ILE CB C 41.461 0.300 1 958 91 91 ILE CD1 C 15.389 0.300 1 959 91 91 ILE CG1 C 30.855 0.300 1 960 91 91 ILE CG2 C 20.204 0.300 1 961 91 91 ILE N N 127.950 0.300 1 962 92 92 TYR H H 9.266 0.030 1 963 92 92 TYR HA H 4.075 0.030 1 964 92 92 TYR HB2 H 2.432 0.030 2 965 92 92 TYR HB3 H 1.288 0.030 2 966 92 92 TYR HD1 H 7.192 0.030 1 967 92 92 TYR HD2 H 7.192 0.030 1 968 92 92 TYR HE1 H 6.839 0.030 1 969 92 92 TYR HE2 H 6.839 0.030 1 970 92 92 TYR C C 177.098 0.300 1 971 92 92 TYR CA C 59.505 0.300 1 972 92 92 TYR CB C 39.920 0.300 1 973 92 92 TYR CD1 C 135.920 0.300 1 974 92 92 TYR CD2 C 135.920 0.300 1 975 92 92 TYR CE1 C 120.295 0.300 1 976 92 92 TYR CE2 C 120.295 0.300 1 977 92 92 TYR N N 129.317 0.300 1 978 93 93 GLY H H 8.296 0.030 1 979 93 93 GLY HA2 H 3.964 0.030 2 980 93 93 GLY HA3 H 4.320 0.030 2 981 93 93 GLY C C 176.152 0.300 1 982 93 93 GLY CA C 47.724 0.300 1 983 93 93 GLY N N 110.035 0.300 1 984 94 94 GLU H H 8.226 0.030 1 985 94 94 GLU HA H 4.583 0.030 1 986 94 94 GLU HB2 H 2.300 0.030 2 987 94 94 GLU HB3 H 2.032 0.030 2 988 94 94 GLU HG2 H 2.292 0.030 1 989 94 94 GLU HG3 H 2.292 0.030 1 990 94 94 GLU C C 178.505 0.300 1 991 94 94 GLU CA C 58.523 0.300 1 992 94 94 GLU CB C 31.068 0.300 1 993 94 94 GLU CG C 38.722 0.300 1 994 94 94 GLU N N 119.764 0.300 1 995 95 95 LYS H H 8.608 0.030 1 996 95 95 LYS HA H 4.357 0.030 1 997 95 95 LYS HB2 H 1.954 0.030 2 998 95 95 LYS HB3 H 2.057 0.030 2 999 95 95 LYS HD2 H 1.793 0.030 1 1000 95 95 LYS HD3 H 1.793 0.030 1 1001 95 95 LYS HE2 H 3.024 0.030 1 1002 95 95 LYS HE3 H 3.024 0.030 1 1003 95 95 LYS HG2 H 1.573 0.030 2 1004 95 95 LYS HG3 H 1.479 0.030 2 1005 95 95 LYS C C 179.306 0.300 1 1006 95 95 LYS CA C 58.510 0.300 1 1007 95 95 LYS CB C 33.139 0.300 1 1008 95 95 LYS CD C 31.497 0.300 1 1009 95 95 LYS CE C 44.511 0.300 1 1010 95 95 LYS CG C 27.070 0.300 1 1011 95 95 LYS N N 123.952 0.300 1 1012 96 96 THR H H 8.381 0.030 1 1013 96 96 THR HA H 4.435 0.030 1 1014 96 96 THR HB H 4.312 0.030 1 1015 96 96 THR HG2 H 1.290 0.030 1 1016 96 96 THR C C 177.488 0.300 1 1017 96 96 THR CA C 64.429 0.300 1 1018 96 96 THR CB C 72.257 0.300 1 1019 96 96 THR CG2 C 23.954 0.300 1 1020 96 96 THR N N 116.670 0.300 1 1021 97 97 GLY H H 8.586 0.030 1 1022 97 97 GLY HA2 H 4.124 0.030 1 1023 97 97 GLY HA3 H 4.124 0.030 1 1024 97 97 GLY C C 176.648 0.300 1 1025 97 97 GLY CA C 47.646 0.300 1 1026 97 97 GLY N N 111.568 0.300 1 1027 98 98 THR H H 8.167 0.030 1 1028 98 98 THR HA H 4.404 0.030 1 1029 98 98 THR HB H 4.271 0.030 1 1030 98 98 THR HG2 H 1.255 0.030 1 1031 98 98 THR C C 176.773 0.300 1 1032 98 98 THR CA C 64.140 0.300 1 1033 98 98 THR CB C 72.140 0.300 1 1034 98 98 THR CG2 C 24.005 0.300 1 1035 98 98 THR N N 113.831 0.300 1 1036 99 99 GLN H H 8.462 0.030 1 1037 99 99 GLN HA H 4.640 0.030 1 1038 99 99 GLN HB2 H 1.854 0.030 2 1039 99 99 GLN HB3 H 1.940 0.030 2 1040 99 99 GLN HE21 H 7.527 0.030 2 1041 99 99 GLN HE22 H 6.914 0.030 2 1042 99 99 GLN HG2 H 2.385 0.030 1 1043 99 99 GLN HG3 H 2.385 0.030 1 1044 99 99 GLN C C 176.521 0.300 1 1045 99 99 GLN CA C 55.984 0.300 1 1046 99 99 GLN CB C 30.851 0.300 1 1047 99 99 GLN CG C 35.677 0.300 1 1048 99 99 GLN N N 123.974 0.300 1 1049 99 99 GLN NE2 N 112.711 0.300 1 1050 100 100 PRO HA H 4.457 0.030 1 1051 100 100 PRO HB2 H 1.888 0.030 2 1052 100 100 PRO HB3 H 2.269 0.030 2 1053 100 100 PRO HD2 H 3.588 0.030 2 1054 100 100 PRO HD3 H 3.794 0.030 2 1055 100 100 PRO HG2 H 1.985 0.030 2 1056 100 100 PRO HG3 H 2.013 0.030 2 1057 100 100 PRO CA C 65.703 0.300 1 1058 100 100 PRO CB C 34.141 0.300 1 1059 100 100 PRO CD C 52.864 0.300 1 1060 100 100 PRO CG C 29.560 0.300 1 1061 101 101 TRP H H 8.073 0.030 1 1062 101 101 TRP HA H 4.729 0.030 1 1063 101 101 TRP HB2 H 3.382 0.030 1 1064 101 101 TRP HB3 H 3.382 0.030 1 1065 101 101 TRP HD1 H 7.352 0.030 1 1066 101 101 TRP HE1 H 10.231 0.030 1 1067 101 101 TRP HE3 H 7.718 0.030 1 1068 101 101 TRP HH2 H 7.308 0.030 1 1069 101 101 TRP HZ2 H 7.580 0.030 1 1070 101 101 TRP HZ3 H 7.239 0.030 1 1071 101 101 TRP C C 179.160 0.300 1 1072 101 101 TRP CA C 59.653 0.300 1 1073 101 101 TRP CB C 31.788 0.300 1 1074 101 101 TRP CD1 C 129.665 0.300 1 1075 101 101 TRP CE3 C 123.245 0.300 1 1076 101 101 TRP CH2 C 127.007 0.300 1 1077 101 101 TRP CZ2 C 116.956 0.300 1 1078 101 101 TRP CZ3 C 124.417 0.300 1 1079 101 101 TRP N N 120.782 0.300 1 1080 101 101 TRP NE1 N 129.996 0.300 1 1081 102 102 GLY H H 8.232 0.030 1 1082 102 102 GLY HA2 H 4.313 0.030 2 1083 102 102 GLY HA3 H 3.927 0.030 2 1084 102 102 GLY C C 176.093 0.300 1 1085 102 102 GLY CA C 47.746 0.300 1 1086 102 102 GLY N N 110.915 0.300 1 1087 103 103 LYS H H 8.091 0.030 1 1088 103 103 LYS HA H 4.362 0.030 1 1089 103 103 LYS HB2 H 1.953 0.030 2 1090 103 103 LYS HB3 H 2.057 0.030 2 1091 103 103 LYS HD2 H 1.727 0.030 1 1092 103 103 LYS HD3 H 1.727 0.030 1 1093 103 103 LYS HE2 H 3.068 0.030 1 1094 103 103 LYS HE3 H 3.068 0.030 1 1095 103 103 LYS HG2 H 1.445 0.030 1 1096 103 103 LYS HG3 H 1.445 0.030 1 1097 103 103 LYS C C 178.843 0.300 1 1098 103 103 LYS CA C 58.515 0.300 1 1099 103 103 LYS CB C 33.134 0.300 1 1100 103 103 LYS CD C 31.161 0.300 1 1101 103 103 LYS CE C 44.426 0.300 1 1102 103 103 LYS CG C 26.936 0.300 1 1103 103 103 LYS N N 121.048 0.300 1 1104 104 104 MET H H 8.431 0.030 1 1105 104 104 MET HA H 4.540 0.030 1 1106 104 104 MET HB2 H 2.065 0.030 2 1107 104 104 MET HB3 H 2.143 0.030 2 1108 104 104 MET HE H 2.148 0.030 1 1109 104 104 MET HG2 H 2.571 0.030 2 1110 104 104 MET HG3 H 2.652 0.030 2 1111 104 104 MET C C 178.404 0.300 1 1112 104 104 MET CA C 57.747 0.300 1 1113 104 104 MET CB C 35.218 0.300 1 1114 104 104 MET CE C 19.261 0.300 1 1115 104 104 MET CG C 34.296 0.300 1 1116 104 104 MET N N 121.828 0.300 1 1117 105 105 GLU H H 8.471 0.030 1 1118 105 105 GLU HA H 4.346 0.030 1 1119 105 105 GLU HB2 H 1.954 0.030 2 1120 105 105 GLU HB3 H 2.056 0.030 2 1121 105 105 GLU HG2 H 2.290 0.030 1 1122 105 105 GLU HG3 H 2.290 0.030 1 1123 105 105 GLU C C 178.479 0.300 1 1124 105 105 GLU CA C 58.769 0.300 1 1125 105 105 GLU CB C 32.987 0.300 1 1126 105 105 GLU CG C 38.512 0.300 1 1127 105 105 GLU N N 123.160 0.300 1 1128 106 106 VAL H H 8.143 0.030 1 1129 106 106 VAL HA H 4.114 0.030 1 1130 106 106 VAL HB H 2.048 0.030 1 1131 106 106 VAL HG1 H 0.932 0.030 1 1132 106 106 VAL HG2 H 0.896 0.030 1 1133 106 106 VAL C C 178.063 0.300 1 1134 106 106 VAL CA C 64.594 0.300 1 1135 106 106 VAL CB C 35.310 0.300 1 1136 106 106 VAL CG1 C 22.608 0.300 2 1137 106 106 VAL CG2 C 23.374 0.300 2 1138 106 106 VAL N N 121.245 0.300 1 1139 107 107 PHE H H 8.357 0.030 1 1140 107 107 PHE HA H 4.713 0.030 1 1141 107 107 PHE HB2 H 3.095 0.030 2 1142 107 107 PHE HB3 H 3.179 0.030 2 1143 107 107 PHE HD1 H 7.317 0.030 1 1144 107 107 PHE HD2 H 7.317 0.030 1 1145 107 107 PHE HE1 H 7.392 0.030 1 1146 107 107 PHE HE2 H 7.392 0.030 1 1147 107 107 PHE HZ H 7.335 0.030 1 1148 107 107 PHE C C 177.765 0.300 1 1149 107 107 PHE CA C 60.058 0.300 1 1150 107 107 PHE CB C 41.830 0.300 1 1151 107 107 PHE CD1 C 134.014 0.300 1 1152 107 107 PHE CD2 C 134.014 0.300 1 1153 107 107 PHE CE1 C 133.886 0.300 1 1154 107 107 PHE CE2 C 133.886 0.300 1 1155 107 107 PHE CZ C 132.140 0.300 1 1156 107 107 PHE N N 124.389 0.300 1 1157 108 108 ARG H H 8.244 0.030 1 1158 108 108 ARG HA H 4.023 0.030 1 1159 108 108 ARG HB2 H 1.826 0.030 1 1160 108 108 ARG HB3 H 1.826 0.030 1 1161 108 108 ARG HD2 H 3.231 0.030 2 1162 108 108 ARG HD3 H 3.299 0.030 2 1163 108 108 ARG HG2 H 1.738 0.030 1 1164 108 108 ARG HG3 H 1.738 0.030 1 1165 108 108 ARG C C 177.982 0.300 1 1166 108 108 ARG CA C 58.232 0.300 1 1167 108 108 ARG CB C 33.567 0.300 1 1168 108 108 ARG CD C 45.639 0.300 1 1169 108 108 ARG CG C 28.651 0.300 1 1170 108 108 ARG N N 123.995 0.300 1 1171 109 109 SER H H 8.349 0.030 1 1172 109 109 SER HA H 4.509 0.030 1 1173 109 109 SER HB2 H 3.917 0.030 1 1174 109 109 SER HB3 H 3.917 0.030 1 1175 109 109 SER C C 176.801 0.300 1 1176 109 109 SER CA C 60.574 0.300 1 1177 109 109 SER CB C 66.339 0.300 1 1178 109 109 SER N N 117.678 0.300 1 1179 110 110 GLY H H 8.313 0.030 1 1180 110 110 GLY HA2 H 4.219 0.030 1 1181 110 110 GLY HA3 H 4.219 0.030 1 1182 110 110 GLY C C 174.080 0.300 1 1183 110 110 GLY CA C 47.215 0.300 1 1184 110 110 GLY N N 111.083 0.300 1 1185 111 111 PRO HA H 4.549 0.030 1 1186 111 111 PRO HB2 H 2.360 0.030 2 1187 111 111 PRO HB3 H 2.052 0.030 2 1188 111 111 PRO HD2 H 3.708 0.030 2 1189 111 111 PRO HD3 H 3.742 0.030 2 1190 111 111 PRO HG2 H 2.097 0.030 1 1191 111 111 PRO HG3 H 2.097 0.030 1 1192 111 111 PRO CA C 65.870 0.300 1 1193 111 111 PRO CB C 34.562 0.300 1 1194 111 111 PRO CD C 52.086 0.300 1 1195 111 111 PRO CG C 29.415 0.300 1 stop_ save_