data_7310 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Automated structure based backbone and sidechain assignment of mitochondrial Cyclophilin D ; _BMRB_accession_number 7310 _BMRB_flat_file_name bmr7310.str _Entry_type original _Submission_date 2006-09-30 _Accession_date 2006-10-02 _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 Schedlbauer Andreas . . 2 Hoffmann Bernd . . 3 Kontaxis Georg . . 4 Ruedisser Simon . . 5 Hommel Ulrich . . 6 Konrat Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 863 "13C chemical shifts" 461 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2006-11-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_reference_citation _Saveframe_category entry_citation _Citation_full ; Letter to the editor: Automated backbone and side-chain assignment of mitochondrial Cyclophilin D Andreas Schedlbauer, Bernd Hoffmann, Georg Kontaxis, Simon Ruedisser, Ulrich Hommel and Robert Konrat ; _Citation_title 'Automated backbone and side-chain assignment of mitochondrial matrix cyclophilin D.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17530183 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schedlbauer Andreas . . 2 Hoffmann Bernd . . 3 Kontaxis Georg . . 4 Ruedisser Simon . . 5 Hommel Ulrich . . 6 Konrat Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 267 _Page_last 267 _Year 2007 _Details . loop_ _Keyword 'automated NMR signal assignment' 'cyclophilin D' 'NMR assignment' 'protein structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cyclophilin D' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cyclophilin D' $cycD stop_ _System_molecular_weight 17767 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cycD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cyclophilin D' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MQNPLVYLDVGADGQPLGRV VLELKADVVPKTAENFRALC TGEKGFGYKGSTFHRVIPAF MCQAGDFTNHNGTGGKSIYG SRFPDENFTLKHVGPGVLSM ANAGPNTNGSQFFICTIKTD WLDGKHVVFGHVKEGMDVVK KIESFGSKSGKTSKKIVITD CGQLS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ASN 4 PRO 5 LEU 6 VAL 7 TYR 8 LEU 9 ASP 10 VAL 11 GLY 12 ALA 13 ASP 14 GLY 15 GLN 16 PRO 17 LEU 18 GLY 19 ARG 20 VAL 21 VAL 22 LEU 23 GLU 24 LEU 25 LYS 26 ALA 27 ASP 28 VAL 29 VAL 30 PRO 31 LYS 32 THR 33 ALA 34 GLU 35 ASN 36 PHE 37 ARG 38 ALA 39 LEU 40 CYS 41 THR 42 GLY 43 GLU 44 LYS 45 GLY 46 PHE 47 GLY 48 TYR 49 LYS 50 GLY 51 SER 52 THR 53 PHE 54 HIS 55 ARG 56 VAL 57 ILE 58 PRO 59 ALA 60 PHE 61 MET 62 CYS 63 GLN 64 ALA 65 GLY 66 ASP 67 PHE 68 THR 69 ASN 70 HIS 71 ASN 72 GLY 73 THR 74 GLY 75 GLY 76 LYS 77 SER 78 ILE 79 TYR 80 GLY 81 SER 82 ARG 83 PHE 84 PRO 85 ASP 86 GLU 87 ASN 88 PHE 89 THR 90 LEU 91 LYS 92 HIS 93 VAL 94 GLY 95 PRO 96 GLY 97 VAL 98 LEU 99 SER 100 MET 101 ALA 102 ASN 103 ALA 104 GLY 105 PRO 106 ASN 107 THR 108 ASN 109 GLY 110 SER 111 GLN 112 PHE 113 PHE 114 ILE 115 CYS 116 THR 117 ILE 118 LYS 119 THR 120 ASP 121 TRP 122 LEU 123 ASP 124 GLY 125 LYS 126 HIS 127 VAL 128 VAL 129 PHE 130 GLY 131 HIS 132 VAL 133 LYS 134 GLU 135 GLY 136 MET 137 ASP 138 VAL 139 VAL 140 LYS 141 LYS 142 ILE 143 GLU 144 SER 145 PHE 146 GLY 147 SER 148 LYS 149 SER 150 GLY 151 LYS 152 THR 153 SER 154 LYS 155 LYS 156 ILE 157 VAL 158 ILE 159 THR 160 ASP 161 CYS 162 GLY 163 GLN 164 LEU 165 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 25340 CypD 98.79 166 96.93 99.39 7.12e-112 BMRB 6141 CypD 100.00 165 100.00 100.00 5.31e-117 PDB 4TOT "Crystal Structure Of Rat Cyclophilin D In Complex With A Potent Nonimmunosuppressive Inhibitor" 99.39 165 99.39 99.39 4.26e-115 DBJ BAI47316 "peptidylprolyl isomerase F [synthetic construct]" 98.79 207 96.93 99.39 1.11e-111 GB AAA58434 "cyclophilin 3 protein [Homo sapiens]" 98.79 207 96.93 99.39 1.11e-111 GB AAB08453 "cyclophilin D [Rattus norvegicus]" 99.39 206 100.00 100.00 3.53e-116 GB AAF71354 "cyclophilin [Macaca mulatta]" 91.52 158 98.01 99.34 3.74e-104 GB AAH04041 "Peptidylprolyl isomerase F (cyclophilin F) [Mus musculus]" 98.79 206 99.39 100.00 5.41e-115 GB AAH05020 "Peptidylprolyl isomerase F [Homo sapiens]" 98.79 207 96.93 99.39 1.11e-111 REF NP_001001597 "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Bos taurus]" 92.73 209 98.04 98.69 4.11e-105 REF NP_001253053 "peptidyl-prolyl cis-trans isomerase F, mitochondrial [Macaca mulatta]" 98.79 207 99.39 100.00 1.67e-114 REF NP_005720 "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Homo sapiens]" 98.79 207 96.93 99.39 1.11e-111 REF NP_598845 "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Mus musculus]" 98.79 206 99.39 100.00 5.41e-115 REF NP_758443 "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Rattus norvegicus]" 99.39 206 100.00 100.00 3.53e-116 SP P29117 "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" 99.39 206 100.00 100.00 3.53e-116 SP P30404 "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" 98.79 208 98.16 98.77 5.70e-113 SP P30405 "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" 98.79 207 96.93 99.39 1.11e-111 SP Q99KR7 "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" 98.79 206 99.39 100.00 5.41e-115 TPG DAA14226 "TPA: peptidylprolyl isomerase F precursor [Bos taurus]" 92.73 208 98.04 98.69 4.83e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cycD Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $cycD 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cycD 800 uM '[U-13C; U-15N]' Na2HPO4 50 mM . D2O 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label $sample_1 save_ save_3D_15N13C_NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N13C NOESY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; 800uM protein 50mM Na2HPO4 pH 7.0 10%D2O ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl carbons' ppm 0.0 internal indirect . . . 0.251449530 $reference_citation $reference_citation DSS H 1 'methyl carbons' ppm 0.0 internal direct . . . 1.000000000 $reference_citation $reference_citation DSS N 15 'methyl carbons' ppm 0.0 internal indirect . . . 0.101329118 $reference_citation $reference_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC 3D_HNCA 3D_HNCACB 3D_CBCACONH 3D_15N13C_NOESY-HSQC stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'cyclophilin D' _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 1 1 MET H H 8.311 0.020 1 2 1 1 MET HA H 4.436 0.020 1 3 1 1 MET CA C 55.057 0.400 1 4 1 1 MET CB C 33.055 0.400 1 5 1 1 MET CG C 31.054 0.400 1 6 1 1 MET N N 122.574 0.400 1 7 2 2 GLN H H 8.393 0.020 1 8 2 2 GLN HA H 4.316 0.020 1 9 2 2 GLN HB2 H 2.043 0.020 1 10 2 2 GLN HB3 H 2.043 0.020 1 11 2 2 GLN HG2 H 2.333 0.020 1 12 2 2 GLN HG3 H 2.333 0.020 1 13 2 2 GLN HE21 H 7.625 0.020 2 14 2 2 GLN HE22 H 6.894 0.020 2 15 2 2 GLN CA C 55.065 0.400 1 16 2 2 GLN CB C 29.916 0.400 1 17 2 2 GLN CG C 33.703 0.400 1 18 2 2 GLN N N 122.150 0.400 1 19 2 2 GLN NE2 N 112.787 0.400 1 20 3 3 ASN H H 8.626 0.020 1 21 3 3 ASN HA H 5.090 0.020 1 22 3 3 ASN HB2 H 3.545 0.020 2 23 3 3 ASN HB3 H 2.640 0.020 2 24 3 3 ASN HD21 H 7.941 0.020 2 25 3 3 ASN HD22 H 6.952 0.020 2 26 3 3 ASN CA C 51.259 0.400 1 27 3 3 ASN CB C 37.889 0.400 1 28 3 3 ASN N N 124.592 0.400 1 29 3 3 ASN ND2 N 110.955 0.400 1 30 4 4 PRO HA H 4.677 0.020 1 31 4 4 PRO HB2 H 2.302 0.020 2 32 4 4 PRO HB3 H 1.722 0.020 2 33 4 4 PRO HG2 H 2.158 0.020 2 34 4 4 PRO HG3 H 2.111 0.020 2 35 4 4 PRO HD2 H 4.119 0.020 1 36 4 4 PRO HD3 H 4.010 0.020 1 37 4 4 PRO CA C 62.983 0.400 1 38 4 4 PRO CB C 32.986 0.400 1 39 4 4 PRO CG C 26.181 0.400 1 40 4 4 PRO CD C 50.987 0.400 1 41 5 5 LEU H H 8.487 0.020 1 42 5 5 LEU HA H 5.526 0.020 1 43 5 5 LEU HB2 H 1.892 0.020 2 44 5 5 LEU HB3 H 1.246 0.020 2 45 5 5 LEU HG H 1.536 0.020 1 46 5 5 LEU HD1 H 0.881 0.020 1 47 5 5 LEU HD2 H 0.863 0.020 1 48 5 5 LEU CA C 53.046 0.400 1 49 5 5 LEU CB C 44.783 0.400 1 50 5 5 LEU CG C 26.906 0.400 1 51 5 5 LEU CD1 C 25.449 0.400 1 52 5 5 LEU CD2 C 24.284 0.400 1 53 5 5 LEU N N 121.030 0.400 1 54 6 6 VAL H H 9.110 0.020 1 55 6 6 VAL HA H 5.375 0.020 1 56 6 6 VAL HB H 2.659 0.020 1 57 6 6 VAL HG1 H 0.928 0.020 1 58 6 6 VAL HG2 H 1.124 0.020 1 59 6 6 VAL CA C 58.092 0.400 1 60 6 6 VAL CB C 35.091 0.400 1 61 6 6 VAL CG1 C 21.857 0.400 1 62 6 6 VAL CG2 C 20.206 0.400 1 63 6 6 VAL N N 115.026 0.400 1 64 7 7 TYR H H 8.721 0.020 1 65 7 7 TYR HA H 6.151 0.020 1 66 7 7 TYR HB2 H 2.783 0.020 2 67 7 7 TYR HB3 H 2.547 0.020 2 68 7 7 TYR HD1 H 6.570 0.020 1 69 7 7 TYR HD2 H 6.570 0.020 1 70 7 7 TYR HE1 H 6.409 0.020 1 71 7 7 TYR HE2 H 6.409 0.020 1 72 7 7 TYR CA C 54.850 0.400 1 73 7 7 TYR CB C 42.636 0.400 1 74 7 7 TYR N N 116.450 0.400 1 75 8 8 LEU H H 8.991 0.020 1 76 8 8 LEU HA H 4.709 0.020 1 77 8 8 LEU HB2 H 1.938 0.020 2 78 8 8 LEU HB3 H 1.371 0.020 2 79 8 8 LEU HD1 H 0.959 0.020 1 80 8 8 LEU HD2 H 0.908 0.020 1 81 8 8 LEU CA C 53.731 0.400 1 82 8 8 LEU CB C 45.064 0.400 1 83 8 8 LEU CD1 C 26.226 0.400 1 84 8 8 LEU CD2 C 23.216 0.400 1 85 8 8 LEU N N 116.247 0.400 1 86 9 9 ASP H H 9.212 0.020 1 87 9 9 ASP HA H 5.632 0.020 1 88 9 9 ASP HB2 H 2.583 0.020 2 89 9 9 ASP HB3 H 2.502 0.020 2 90 9 9 ASP CA C 54.483 0.400 1 91 9 9 ASP CB C 41.665 0.400 1 92 9 9 ASP N N 125.915 0.400 1 93 10 10 VAL H H 8.272 0.020 1 94 10 10 VAL HA H 5.512 0.020 1 95 10 10 VAL HB H 1.550 0.020 1 96 10 10 VAL HG1 H 0.884 0.020 1 97 10 10 VAL CA C 54.871 0.400 1 98 10 10 VAL CB C 34.286 0.400 1 99 10 10 VAL CG1 C 21.371 0.400 1 100 10 10 VAL N N 119.300 0.400 1 101 11 11 GLY H H 9.565 0.020 1 102 11 11 GLY HA2 H 4.991 0.020 1 103 11 11 GLY HA3 H 3.616 0.020 1 104 11 11 GLY CA C 44.481 0.400 1 105 11 11 GLY N N 115.026 0.400 1 106 12 12 ALA H H 8.920 0.020 1 107 12 12 ALA HA H 5.176 0.020 1 108 12 12 ALA HB H 0.759 0.020 1 109 12 12 ALA CA C 49.980 0.400 1 110 12 12 ALA CB C 21.617 0.400 1 111 12 12 ALA N N 122.048 0.400 1 112 13 13 ASP H H 9.409 0.020 1 113 13 13 ASP HA H 4.360 0.020 1 114 13 13 ASP HB2 H 3.108 0.020 2 115 13 13 ASP HB3 H 2.452 0.020 2 116 13 13 ASP CA C 55.648 0.400 1 117 13 13 ASP CB C 39.918 0.400 1 118 13 13 ASP N N 126.730 0.400 1 119 14 14 GLY H H 8.677 0.020 1 120 14 14 GLY HA2 H 4.179 0.020 1 121 14 14 GLY HA3 H 3.611 0.020 1 122 14 14 GLY CA C 45.452 0.400 1 123 14 14 GLY N N 103.966 0.400 1 124 15 15 GLN H H 7.832 0.020 1 125 15 15 GLN HA H 4.850 0.020 1 126 15 15 GLN HB2 H 2.185 0.020 2 127 15 15 GLN HB3 H 2.030 0.020 2 128 15 15 GLN HG2 H 2.377 0.020 2 129 15 15 GLN HG3 H 2.298 0.020 2 130 15 15 GLN HE21 H 7.553 0.020 2 131 15 15 GLN HE22 H 6.900 0.020 2 132 15 15 GLN CA C 51.861 0.400 1 133 15 15 GLN CB C 29.527 0.400 1 134 15 15 GLN CG C 33.315 0.400 1 135 15 15 GLN N N 121.437 0.400 1 136 15 15 GLN NE2 N 112.176 0.400 1 137 16 16 PRO HA H 4.458 0.020 1 138 16 16 PRO HB2 H 2.280 0.020 2 139 16 16 PRO HB3 H 1.913 0.020 2 140 16 16 PRO CA C 63.902 0.400 1 141 16 16 PRO CB C 32.538 0.400 1 142 16 16 PRO CG C 26.715 0.400 1 143 16 16 PRO CD C 50.294 0.400 1 144 17 17 LEU H H 9.709 0.020 1 145 17 17 LEU HA H 4.596 0.020 1 146 17 17 LEU HB2 H 1.672 0.020 2 147 17 17 LEU HB3 H 1.411 0.020 2 148 17 17 LEU HG H 1.680 0.020 1 149 17 17 LEU HD1 H 0.932 0.020 1 150 17 17 LEU HD2 H 0.749 0.020 1 151 17 17 LEU CA C 54.871 0.400 1 152 17 17 LEU CB C 43.413 0.400 1 153 17 17 LEU CG C 26.806 0.400 1 154 17 17 LEU CD1 C 22.342 0.400 1 155 17 17 LEU CD2 C 25.741 0.400 1 156 17 17 LEU N N 122.760 0.400 1 157 18 18 GLY H H 7.675 0.020 1 158 18 18 GLY HA2 H 4.624 0.020 1 159 18 18 GLY HA3 H 3.732 0.020 1 160 18 18 GLY CA C 44.093 0.400 1 161 18 18 GLY N N 104.670 0.400 1 162 19 19 ARG H H 8.326 0.020 1 163 19 19 ARG HA H 5.511 0.020 1 164 19 19 ARG HB2 H 1.961 0.020 2 165 19 19 ARG HB3 H 1.608 0.020 2 166 19 19 ARG HG2 H 1.531 0.020 2 167 19 19 ARG HG3 H 1.346 0.020 2 168 19 19 ARG HD2 H 2.782 0.020 2 169 19 19 ARG HD3 H 2.640 0.020 2 170 19 19 ARG CA C 54.871 0.400 1 171 19 19 ARG CB C 34.286 0.400 1 172 19 19 ARG CG C 27.391 0.400 1 173 19 19 ARG CD C 42.928 0.400 1 174 19 19 ARG N N 121.539 0.400 1 175 20 20 VAL H H 9.483 0.020 1 176 20 20 VAL HA H 4.604 0.020 1 177 20 20 VAL HB H 2.067 0.020 1 178 20 20 VAL HG1 H 0.951 0.020 1 179 20 20 VAL CA C 60.989 0.400 1 180 20 20 VAL CB C 34.385 0.400 1 181 20 20 VAL CG1 C 20.986 0.400 1 182 20 20 VAL N N 126.424 0.400 1 183 21 21 VAL H H 8.898 0.020 1 184 21 21 VAL HA H 4.943 0.020 1 185 21 21 VAL HB H 1.922 0.020 1 186 21 21 VAL HG2 H 0.989 0.020 1 187 21 21 VAL CA C 61.668 0.400 1 188 21 21 VAL CB C 33.509 0.400 1 189 21 21 VAL CG2 C 21.468 0.400 1 190 21 21 VAL N N 126.933 0.400 1 191 22 22 LEU H H 9.581 0.020 1 192 22 22 LEU HA H 4.941 0.020 1 193 22 22 LEU HB2 H 1.623 0.020 2 194 22 22 LEU HB3 H 0.948 0.020 2 195 22 22 LEU HD1 H 0.864 0.020 1 196 22 22 LEU HD2 H 0.864 0.020 1 197 22 22 LEU CA C 53.362 0.400 1 198 22 22 LEU CB C 43.122 0.400 1 199 22 22 LEU CD1 C 20.983 0.400 1 200 22 22 LEU CD2 C 20.983 0.400 1 201 22 22 LEU N N 128.867 0.400 1 202 23 23 GLU H H 8.589 0.020 1 203 23 23 GLU HA H 4.957 0.020 1 204 23 23 GLU HB2 H 1.682 0.020 1 205 23 23 GLU HB3 H 1.682 0.020 1 206 23 23 GLU HG2 H 2.083 0.020 2 207 23 23 GLU HG3 H 1.756 0.020 2 208 23 23 GLU CA C 54.774 0.400 1 209 23 23 GLU CB C 31.858 0.400 1 210 23 23 GLU CG C 36.907 0.400 1 211 23 23 GLU N N 122.557 0.400 1 212 24 24 LEU H H 8.404 0.020 1 213 24 24 LEU HA H 4.887 0.020 1 214 24 24 LEU HB2 H 1.974 0.020 2 215 24 24 LEU HB3 H 1.313 0.020 2 216 24 24 LEU HD1 H 1.228 0.020 1 217 24 24 LEU HD2 H 0.527 0.020 1 218 24 24 LEU CA C 52.075 0.400 1 219 24 24 LEU CB C 42.888 0.400 1 220 24 24 LEU CG C 32.475 0.400 1 221 24 24 LEU CD1 C 27.003 0.400 1 222 24 24 LEU CD2 C 22.731 0.400 1 223 24 24 LEU N N 124.491 0.400 1 224 25 25 LYS H H 8.854 0.020 1 225 25 25 LYS HA H 4.521 0.020 1 226 25 25 LYS HB2 H 1.655 0.020 2 227 25 25 LYS HB3 H 1.586 0.020 2 228 25 25 LYS HG2 H 1.339 0.020 2 229 25 25 LYS HG3 H 1.234 0.020 2 230 25 25 LYS HE2 H 2.899 0.020 2 231 25 25 LYS HE3 H 2.807 0.020 2 232 25 25 LYS CA C 53.609 0.400 1 233 25 25 LYS CB C 27.391 0.400 1 234 25 25 LYS CG C 23.410 0.400 1 235 25 25 LYS CE C 41.568 0.400 1 236 25 25 LYS N N 125.203 0.400 1 237 26 26 ALA H H 8.150 0.020 1 238 26 26 ALA HA H 3.709 0.020 1 239 26 26 ALA HB H 1.458 0.020 1 240 26 26 ALA CA C 54.192 0.400 1 241 26 26 ALA CB C 18.749 0.400 1 242 26 26 ALA N N 128.562 0.400 1 243 27 27 ASP H H 9.080 0.020 1 244 27 27 ASP HA H 4.197 0.020 1 245 27 27 ASP HB2 H 2.779 0.020 2 246 27 27 ASP HB3 H 2.682 0.020 2 247 27 27 ASP CA C 55.163 0.400 1 248 27 27 ASP CB C 38.461 0.400 1 249 27 27 ASP N N 114.008 0.400 1 250 28 28 VAL H H 7.550 0.020 1 251 28 28 VAL HA H 4.184 0.020 1 252 28 28 VAL HB H 1.913 0.020 1 253 28 28 VAL HG1 H 1.170 0.020 1 254 28 28 VAL CA C 63.902 0.400 1 255 28 28 VAL CB C 35.257 0.400 1 256 28 28 VAL CG1 C 20.691 0.400 1 257 28 28 VAL N N 119.809 0.400 1 258 29 29 VAL H H 8.240 0.020 1 259 29 29 VAL HA H 4.581 0.020 1 260 29 29 VAL HB H 2.536 0.020 1 261 29 29 VAL CA C 57.299 0.400 1 262 29 29 VAL CB C 31.373 0.400 1 263 29 29 VAL N N 113.601 0.400 1 264 30 30 PRO HA H 4.367 0.020 1 265 30 30 PRO HB2 H 2.612 0.020 2 266 30 30 PRO HB3 H 1.964 0.020 2 267 30 30 PRO HD2 H 3.603 0.020 1 268 30 30 PRO HD3 H 3.426 0.020 1 269 30 30 PRO CA C 65.038 0.400 1 270 30 30 PRO CB C 31.373 0.400 1 271 30 30 PRO CG C 26.628 0.400 1 272 30 30 PRO CD C 49.628 0.400 1 273 31 31 LYS H H 10.739 0.020 1 274 31 31 LYS HA H 4.036 0.020 1 275 31 31 LYS HB2 H 1.676 0.020 2 276 31 31 LYS HB3 H 1.423 0.020 2 277 31 31 LYS HG2 H 1.375 0.020 2 278 31 31 LYS HG3 H 1.180 0.020 2 279 31 31 LYS HD2 H 2.076 0.020 1 280 31 31 LYS HD3 H 2.076 0.020 1 281 31 31 LYS CA C 60.212 0.400 1 282 31 31 LYS CB C 31.664 0.400 1 283 31 31 LYS CG C 25.935 0.400 1 284 31 31 LYS CD C 27.489 0.400 1 285 31 31 LYS CE C 41.134 0.400 1 286 31 31 LYS N N 122.557 0.400 1 287 32 32 THR H H 10.317 0.020 1 288 32 32 THR HB H 3.956 0.020 1 289 32 32 THR HG2 H 0.885 0.020 1 290 32 32 THR CA C 60.210 0.400 1 291 32 32 THR CB C 67.592 0.400 1 292 32 32 THR CG2 C 21.177 0.400 1 293 32 32 THR N N 124.592 0.400 1 294 33 33 ALA H H 9.227 0.020 1 295 33 33 ALA HA H 4.100 0.020 1 296 33 33 ALA HB H 1.449 0.020 1 297 33 33 ALA CA C 55.842 0.400 1 298 33 33 ALA CB C 18.652 0.400 1 299 33 33 ALA N N 125.508 0.400 1 300 34 34 GLU H H 8.023 0.020 1 301 34 34 GLU HA H 4.495 0.020 1 302 34 34 GLU HB2 H 2.255 0.020 2 303 34 34 GLU HB3 H 1.724 0.020 2 304 34 34 GLU HG2 H 2.468 0.020 2 305 34 34 GLU HG3 H 2.016 0.020 2 306 34 34 GLU CA C 57.978 0.400 1 307 34 34 GLU CB C 28.168 0.400 1 308 34 34 GLU CG C 33.703 0.400 1 309 34 34 GLU N N 117.570 0.400 1 310 35 35 ASN H H 7.095 0.020 1 311 35 35 ASN HA H 4.003 0.020 1 312 35 35 ASN HB2 H 2.842 0.020 2 313 35 35 ASN HB3 H 2.316 0.020 2 314 35 35 ASN CA C 56.619 0.400 1 315 35 35 ASN CB C 39.629 0.400 1 316 35 35 ASN N N 114.924 0.400 1 317 36 36 PHE H H 7.048 0.020 1 318 36 36 PHE HA H 4.032 0.020 1 319 36 36 PHE HB2 H 3.185 0.020 2 320 36 36 PHE HB3 H 3.120 0.020 2 321 36 36 PHE HD1 H 7.080 0.020 1 322 36 36 PHE HD2 H 7.080 0.020 1 323 36 36 PHE HE1 H 7.183 0.020 1 324 36 36 PHE HE2 H 7.183 0.020 1 325 36 36 PHE HZ H 7.183 0.020 1 326 36 36 PHE CA C 61.960 0.400 1 327 36 36 PHE CB C 40.500 0.400 1 328 36 36 PHE N N 117.163 0.400 1 329 37 37 ARG H H 8.864 0.020 1 330 37 37 ARG HA H 3.612 0.020 1 331 37 37 ARG HB2 H 1.931 0.020 2 332 37 37 ARG HB3 H 1.825 0.020 2 333 37 37 ARG HG2 H 1.489 0.020 2 334 37 37 ARG HG3 H 1.000 0.020 2 335 37 37 ARG HD2 H 3.552 0.020 2 336 37 37 ARG HD3 H 2.784 0.020 2 337 37 37 ARG CA C 60.600 0.400 1 338 37 37 ARG CB C 30.207 0.400 1 339 37 37 ARG CG C 24.478 0.400 1 340 37 37 ARG CD C 40.574 0.400 1 341 37 37 ARG N N 119.198 0.400 1 342 38 38 ALA H H 8.407 0.020 1 343 38 38 ALA HA H 4.074 0.020 1 344 38 38 ALA HB H 1.208 0.020 1 345 38 38 ALA CA C 54.192 0.400 1 346 38 38 ALA CB C 18.264 0.400 1 347 38 38 ALA N N 118.079 0.400 1 348 39 39 LEU H H 7.919 0.020 1 349 39 39 LEU HA H 3.804 0.020 1 350 39 39 LEU HB2 H 1.451 0.020 2 351 39 39 LEU HB3 H -0.291 0.020 2 352 39 39 LEU HD1 H 0.887 0.020 1 353 39 39 LEU HD2 H 0.537 0.020 1 354 39 39 LEU CA C 57.299 0.400 1 355 39 39 LEU CB C 40.889 0.400 1 356 39 39 LEU CD1 C 26.712 0.400 1 357 39 39 LEU CD2 C 24.284 0.400 1 358 39 39 LEU N N 122.048 0.400 1 359 40 40 CYS H H 7.868 0.020 1 360 40 40 CYS HA H 4.396 0.020 1 361 40 40 CYS HB2 H 3.292 0.020 2 362 40 40 CYS HB3 H 2.151 0.020 2 363 40 40 CYS CA C 63.707 0.400 1 364 40 40 CYS CB C 26.906 0.400 1 365 40 40 CYS N N 120.013 0.400 1 366 41 41 THR H H 7.991 0.020 1 367 41 41 THR HA H 4.743 0.020 1 368 41 41 THR HB H 4.444 0.020 1 369 41 41 THR HG2 H 1.303 0.020 1 370 41 41 THR CA C 63.176 0.400 1 371 41 41 THR CB C 69.145 0.400 1 372 41 41 THR CG2 C 22.633 0.400 1 373 41 41 THR N N 107.087 0.400 1 374 42 42 GLY H H 7.786 0.020 1 375 42 42 GLY HA2 H 3.838 0.020 1 376 42 42 GLY HA3 H 3.519 0.020 1 377 42 42 GLY CA C 45.549 0.400 1 378 42 42 GLY N N 108.309 0.400 1 379 43 43 GLU H H 7.986 0.020 1 380 43 43 GLU HA H 4.124 0.020 1 381 43 43 GLU HB2 H 2.204 0.020 2 382 43 43 GLU HB3 H 2.026 0.020 2 383 43 43 GLU HG2 H 2.086 0.020 2 384 43 43 GLU HG3 H 1.795 0.020 2 385 43 43 GLU CA C 58.561 0.400 1 386 43 43 GLU CB C 30.110 0.400 1 387 43 43 GLU CG C 35.352 0.400 1 388 43 43 GLU N N 118.588 0.400 1 389 44 44 LYS H H 9.108 0.020 1 390 44 44 LYS HA H 4.310 0.020 1 391 44 44 LYS HB2 H 0.935 0.020 2 392 44 44 LYS HB3 H 1.646 0.020 2 393 44 44 LYS HG2 H 1.048 0.020 2 394 44 44 LYS HG3 H 1.030 0.020 2 395 44 44 LYS HD2 H 1.441 0.020 1 396 44 44 LYS HD3 H 1.441 0.020 1 397 44 44 LYS HE2 H 2.893 0.020 2 398 44 44 LYS HE3 H 2.784 0.020 2 399 44 44 LYS CA C 54.289 0.400 1 400 44 44 LYS CB C 30.402 0.400 1 401 44 44 LYS CG C 24.867 0.400 1 402 44 44 LYS CD C 27.683 0.400 1 403 44 44 LYS CE C 41.641 0.400 1 404 44 44 LYS N N 118.689 0.400 1 405 45 45 GLY H H 7.930 0.020 1 406 45 45 GLY HA2 H 4.320 0.020 1 407 45 45 GLY HA3 H 3.553 0.020 1 408 45 45 GLY CA C 44.773 0.400 1 409 45 45 GLY N N 105.595 0.400 1 410 46 46 PHE H H 6.395 0.020 1 411 46 46 PHE HA H 4.640 0.020 1 412 46 46 PHE HB2 H 3.127 0.020 2 413 46 46 PHE HB3 H 2.682 0.020 2 414 46 46 PHE HD1 H 6.624 0.020 1 415 46 46 PHE HD2 H 6.624 0.020 1 416 46 46 PHE HE1 H 7.025 0.020 1 417 46 46 PHE HE2 H 7.025 0.020 1 418 46 46 PHE HZ H 7.025 0.020 1 419 46 46 PHE CA C 54.192 0.400 1 420 46 46 PHE CB C 39.723 0.400 1 421 46 46 PHE N N 113.703 0.400 1 422 47 47 GLY H H 7.683 0.020 1 423 47 47 GLY HA2 H 4.267 0.020 1 424 47 47 GLY HA3 H 2.761 0.020 1 425 47 47 GLY CA C 45.841 0.400 1 426 47 47 GLY N N 104.584 0.400 1 427 48 48 TYR H H 6.868 0.020 1 428 48 48 TYR HA H 4.367 0.020 1 429 48 48 TYR HB2 H 3.112 0.020 2 430 48 48 TYR HB3 H 3.013 0.020 2 431 48 48 TYR HD1 H 6.870 0.020 1 432 48 48 TYR HE1 H 6.870 0.020 1 433 48 48 TYR CA C 57.881 0.400 1 434 48 48 TYR CB C 38.849 0.400 1 435 48 48 TYR N N 113.194 0.400 1 436 49 49 LYS H H 8.449 0.020 1 437 49 49 LYS HA H 3.712 0.020 1 438 49 49 LYS HB2 H 2.018 0.020 2 439 49 49 LYS HB3 H 1.652 0.020 2 440 49 49 LYS HG2 H 1.334 0.020 2 441 49 49 LYS HG3 H 1.302 0.020 2 442 49 49 LYS HD2 H 1.950 0.020 2 443 49 49 LYS HD3 H 1.819 0.020 2 444 49 49 LYS HE2 H 3.285 0.020 2 445 49 49 LYS HE3 H 3.098 0.020 2 446 49 49 LYS CA C 61.086 0.400 1 447 49 49 LYS CB C 31.470 0.400 1 448 49 49 LYS CG C 24.676 0.400 1 449 49 49 LYS CD C 30.110 0.400 1 450 49 49 LYS CE C 42.151 0.400 1 451 49 49 LYS N N 124.592 0.400 1 452 50 50 GLY H H 9.620 0.020 1 453 50 50 GLY HA2 H 4.453 0.020 1 454 50 50 GLY HA3 H 3.616 0.020 1 455 50 50 GLY CA C 45.549 0.400 1 456 50 50 GLY N N 117.672 0.400 1 457 51 51 SER H H 8.552 0.020 1 458 51 51 SER HA H 4.943 0.020 1 459 51 51 SER CA C 58.464 0.400 1 460 51 51 SER CB C 64.666 0.400 1 461 51 51 SER N N 116.247 0.400 1 462 52 52 THR H H 9.525 0.020 1 463 52 52 THR HA H 5.869 0.020 1 464 52 52 THR HB H 4.325 0.020 1 465 52 52 THR HG2 H 1.218 0.020 1 466 52 52 THR CA C 61.377 0.400 1 467 52 52 THR CB C 73.418 0.400 1 468 52 52 THR CG2 C 22.439 0.400 1 469 52 52 THR N N 107.291 0.400 1 470 53 53 PHE H H 8.481 0.020 1 471 53 53 PHE HA H 4.911 0.020 1 472 53 53 PHE HB2 H 2.896 0.020 2 473 53 53 PHE HB3 H 2.517 0.020 2 474 53 53 PHE HD1 H 6.892 0.020 1 475 53 53 PHE HD2 H 6.892 0.020 1 476 53 53 PHE HE1 H 6.892 0.020 1 477 53 53 PHE HE2 H 6.892 0.020 1 478 53 53 PHE HZ H 6.892 0.020 1 479 53 53 PHE CA C 56.910 0.400 1 480 53 53 PHE CB C 38.849 0.400 1 481 53 53 PHE N N 121.030 0.400 1 482 54 54 HIS H H 7.399 0.020 1 483 54 54 HIS HA H 4.743 0.020 1 484 54 54 HIS HB2 H 3.249 0.020 2 485 54 54 HIS HB3 H 2.769 0.020 2 486 54 54 HIS CA C 56.981 0.400 1 487 54 54 HIS CB C 31.761 0.400 1 488 54 54 HIS N N 119.809 0.400 1 489 55 55 ARG H H 6.773 0.020 1 490 55 55 ARG HA H 4.937 0.020 1 491 55 55 ARG HB2 H 1.819 0.020 2 492 55 55 ARG HB3 H 1.756 0.020 2 493 55 55 ARG HG2 H 1.561 0.020 2 494 55 55 ARG HG3 H 1.073 0.020 2 495 55 55 ARG HD2 H 3.143 0.020 2 496 55 55 ARG HD3 H 3.013 0.020 2 497 55 55 ARG CA C 54.774 0.400 1 498 55 55 ARG CB C 32.052 0.400 1 499 55 55 ARG CG C 28.168 0.400 1 500 55 55 ARG CD C 43.510 0.400 1 501 55 55 ARG N N 123.676 0.400 1 502 56 56 VAL H H 9.358 0.020 1 503 56 56 VAL HA H 4.475 0.020 1 504 56 56 VAL HB H 1.803 0.020 1 505 56 56 VAL HG1 H 1.054 0.020 1 506 56 56 VAL HG2 H 0.740 0.020 1 507 56 56 VAL CA C 61.960 0.400 1 508 56 56 VAL CB C 35.032 0.400 1 509 56 56 VAL CG1 C 22.828 0.400 1 510 56 56 VAL CG2 C 21.371 0.400 1 511 56 56 VAL N N 128.663 0.400 1 512 57 57 ILE H H 8.511 0.020 1 513 57 57 ILE HA H 5.197 0.020 1 514 57 57 ILE HB H 1.882 0.020 1 515 57 57 ILE HG12 H 1.769 0.020 1 516 57 57 ILE HG13 H 1.653 0.020 1 517 57 57 ILE HG2 H 1.168 0.020 1 518 57 57 ILE HD1 H 0.930 0.020 1 519 57 57 ILE CA C 57.493 0.400 1 520 57 57 ILE CB C 40.889 0.400 1 521 57 57 ILE CG1 C 28.945 0.400 1 522 57 57 ILE CG2 C 17.390 0.400 1 523 57 57 ILE CD1 C 13.506 0.400 1 524 57 57 ILE N N 127.747 0.400 1 525 58 58 PRO HA H 4.256 0.020 1 526 58 58 PRO HB2 H 2.230 0.020 2 527 58 58 PRO HB3 H 1.756 0.020 2 528 58 58 PRO HG2 H 1.919 0.020 2 529 58 58 PRO HG3 H 1.837 0.020 2 530 58 58 PRO HD2 H 3.893 0.020 1 531 58 58 PRO HD3 H 3.356 0.020 1 532 58 58 PRO CA C 62.834 0.400 1 533 58 58 PRO CB C 32.041 0.400 1 534 58 58 PRO CG C 27.100 0.400 1 535 58 58 PRO CD C 52.055 0.400 1 536 59 59 ALA H H 9.625 0.020 1 537 59 59 ALA HA H 3.810 0.020 1 538 59 59 ALA HB H 1.409 0.020 1 539 59 59 ALA CA C 52.929 0.400 1 540 59 59 ALA CB C 16.419 0.400 1 541 59 59 ALA N N 122.760 0.400 1 542 60 60 PHE H H 7.443 0.020 1 543 60 60 PHE HA H 4.993 0.020 1 544 60 60 PHE HB2 H 3.321 0.020 2 545 60 60 PHE HB3 H 2.947 0.020 2 546 60 60 PHE HD1 H 7.198 0.020 1 547 60 60 PHE HD2 H 7.198 0.020 1 548 60 60 PHE HE1 H 7.198 0.020 1 549 60 60 PHE HE2 H 7.198 0.020 1 550 60 60 PHE HZ H 7.198 0.020 1 551 60 60 PHE CA C 57.493 0.400 1 552 60 60 PHE CB C 38.073 0.400 1 553 60 60 PHE N N 112.787 0.400 1 554 61 61 MET H H 8.082 0.020 1 555 61 61 MET HA H 5.176 0.020 1 556 61 61 MET HB2 H 2.207 0.020 2 557 61 61 MET HB3 H 1.443 0.020 2 558 61 61 MET HG2 H 1.025 0.020 1 559 61 61 MET HG3 H 1.025 0.020 1 560 61 61 MET CA C 54.677 0.400 1 561 61 61 MET CB C 35.354 0.400 1 562 61 61 MET CG C 28.362 0.400 1 563 61 61 MET N N 112.074 0.400 1 564 62 62 CYS H H 8.431 0.020 1 565 62 62 CYS HA H 4.840 0.020 1 566 62 62 CYS HB2 H 3.141 0.020 2 567 62 62 CYS HB3 H 2.726 0.020 2 568 62 62 CYS CA C 56.564 0.400 1 569 62 62 CYS CB C 30.110 0.400 1 570 62 62 CYS N N 115.331 0.400 1 571 63 63 GLN H H 9.403 0.020 1 572 63 63 GLN HA H 5.219 0.020 1 573 63 63 GLN HB2 H 2.085 0.020 2 574 63 63 GLN HB3 H 1.889 0.020 2 575 63 63 GLN HG2 H 1.317 0.020 2 576 63 63 GLN HG3 H 1.042 0.020 2 577 63 63 GLN CA C 54.871 0.400 1 578 63 63 GLN CB C 30.790 0.400 1 579 63 63 GLN CG C 32.847 0.400 1 580 63 63 GLN N N 127.849 0.400 1 581 64 64 ALA H H 7.997 0.020 1 582 64 64 ALA HA H 4.780 0.020 1 583 64 64 ALA HB H -0.218 0.020 1 584 64 64 ALA CA C 50.056 0.400 1 585 64 64 ALA CB C 22.536 0.400 1 586 64 64 ALA N N 126.119 0.400 1 587 65 65 GLY CA C 46.945 0.400 1 588 66 66 ASP H H 10.038 0.020 1 589 66 66 ASP HA H 4.345 0.020 1 590 66 66 ASP HB2 H 2.722 0.020 2 591 66 66 ASP HB3 H 1.674 0.020 2 592 66 66 ASP CA C 51.473 0.400 1 593 66 66 ASP CB C 38.752 0.400 1 594 66 66 ASP N N 124.491 0.400 1 595 67 67 PHE H H 6.625 0.020 1 596 67 67 PHE HA H 4.640 0.020 1 597 67 67 PHE HB2 H 2.725 0.020 1 598 67 67 PHE HB3 H 2.725 0.020 1 599 67 67 PHE HD1 H 7.207 0.020 1 600 67 67 PHE HD2 H 7.207 0.020 1 601 67 67 PHE HE1 H 7.207 0.020 1 602 67 67 PHE HE2 H 7.207 0.020 1 603 67 67 PHE HZ H 7.207 0.020 1 604 67 67 PHE CA C 56.134 0.400 1 605 67 67 PHE CB C 38.870 0.400 1 606 67 67 PHE N N 115.738 0.400 1 607 68 68 THR H H 7.337 0.020 1 608 68 68 THR HA H 4.532 0.020 1 609 68 68 THR HB H 4.029 0.020 1 610 68 68 THR HG2 H 0.734 0.020 1 611 68 68 THR CA C 61.863 0.400 1 612 68 68 THR CB C 68.757 0.400 1 613 68 68 THR CG2 C 22.051 0.400 1 614 68 68 THR N N 109.835 0.400 1 615 69 69 ASN H H 8.636 0.020 1 616 69 69 ASN HA H 4.764 0.020 1 617 69 69 ASN HB2 H 2.858 0.020 2 618 69 69 ASN HB3 H 2.607 0.020 2 619 69 69 ASN HD21 H 7.434 0.020 2 620 69 69 ASN HD22 H 6.669 0.020 2 621 69 69 ASN CA C 52.732 0.400 1 622 69 69 ASN CB C 39.335 0.400 1 623 69 69 ASN N N 120.521 0.400 1 624 69 69 ASN ND2 N 110.955 0.400 1 625 70 70 HIS CB C 27.647 0.400 1 626 71 71 ASN H H 7.595 0.020 1 627 71 71 ASN HA H 4.701 0.020 1 628 71 71 ASN HB2 H 2.707 0.020 1 629 71 71 ASN HB3 H 2.707 0.020 1 630 71 71 ASN CA C 52.541 0.400 1 631 71 71 ASN CB C 38.791 0.400 1 632 71 71 ASN N N 112.583 0.400 1 633 72 72 GLY H H 9.676 0.020 1 634 72 72 GLY HA2 H 4.586 0.020 1 635 72 72 GLY HA3 H 3.356 0.020 1 636 72 72 GLY CA C 45.161 0.400 1 637 72 72 GLY N N 110.649 0.400 1 638 73 73 THR H H 7.984 0.020 1 639 73 73 THR HA H 4.445 0.020 1 640 73 73 THR HB H 4.256 0.020 1 641 73 73 THR HG2 H 1.074 0.020 1 642 73 73 THR CA C 62.542 0.400 1 643 73 73 THR CB C 70.990 0.400 1 644 73 73 THR CG2 C 20.983 0.400 1 645 73 73 THR N N 112.481 0.400 1 646 74 74 GLY H H 8.591 0.020 1 647 74 74 GLY HA2 H 4.481 0.020 1 648 74 74 GLY HA3 H 3.555 0.020 1 649 74 74 GLY CA C 45.647 0.400 1 650 74 74 GLY N N 113.295 0.400 1 651 75 75 GLY H H 8.049 0.020 1 652 75 75 GLY HA2 H 4.558 0.020 1 653 75 75 GLY HA3 H 2.570 0.020 1 654 75 75 GLY CA C 43.110 0.400 1 655 75 75 GLY N N 109.326 0.400 1 656 76 76 LYS H H 7.014 0.020 1 657 76 76 LYS HA H 4.606 0.020 1 658 76 76 LYS HB2 H 1.867 0.020 2 659 76 76 LYS HB3 H 1.540 0.020 2 660 76 76 LYS HD2 H 1.154 0.020 2 661 76 76 LYS HD3 H 1.150 0.020 2 662 76 76 LYS CA C 56.134 0.400 1 663 76 76 LYS CB C 34.674 0.400 1 664 76 76 LYS CG C 22.684 0.400 1 665 76 76 LYS CD C 29.334 0.400 1 666 76 76 LYS CE C 40.449 0.400 1 667 76 76 LYS N N 115.738 0.400 1 668 77 77 SER H H 7.781 0.020 1 669 77 77 SER HA H 5.236 0.020 1 670 77 77 SER HB2 H 4.235 0.020 1 671 77 77 SER HB3 H 4.235 0.020 1 672 77 77 SER CA C 56.813 0.400 1 673 77 77 SER CB C 69.631 0.400 1 674 77 77 SER N N 114.415 0.400 1 675 78 78 ILE H H 8.618 0.020 1 676 78 78 ILE HA H 4.201 0.020 1 677 78 78 ILE HB H 1.706 0.020 1 678 78 78 ILE HG12 H 0.623 0.020 1 679 78 78 ILE HG13 H -0.408 0.020 1 680 78 78 ILE HG2 H 0.705 0.020 1 681 78 78 ILE HD1 H 0.453 0.020 1 682 78 78 ILE CA C 63.707 0.400 1 683 78 78 ILE CB C 37.296 0.400 1 684 78 78 ILE CG1 C 23.022 0.400 1 685 78 78 ILE CG2 C 17.487 0.400 1 686 78 78 ILE CD1 C 14.088 0.400 1 687 78 78 ILE N N 111.769 0.400 1 688 79 79 TYR H H 8.073 0.020 1 689 79 79 TYR HA H 4.734 0.020 1 690 79 79 TYR HB2 H 3.426 0.020 2 691 79 79 TYR HB3 H 2.357 0.020 2 692 79 79 TYR HD1 H 6.420 0.020 1 693 79 79 TYR HD2 H 6.420 0.020 1 694 79 79 TYR HE1 H 6.134 0.020 1 695 79 79 TYR HE2 H 6.134 0.020 1 696 79 79 TYR CA C 56.042 0.400 1 697 79 79 TYR CB C 38.849 0.400 1 698 79 79 TYR N N 120.623 0.400 1 699 80 80 GLY H H 7.146 0.020 1 700 80 80 GLY HA2 H 4.673 0.020 1 701 80 80 GLY HA3 H 3.838 0.020 1 702 80 80 GLY CA C 43.996 0.400 1 703 80 80 GLY N N 106.578 0.400 1 704 82 82 ARG H H 7.869 0.020 1 705 82 82 ARG HA H 5.567 0.020 1 706 82 82 ARG HB2 H 1.600 0.020 1 707 82 82 ARG HB3 H 1.600 0.020 1 708 82 82 ARG HG2 H 1.511 0.020 2 709 82 82 ARG HG3 H 1.442 0.020 2 710 82 82 ARG HD2 H 3.151 0.020 2 711 82 82 ARG HD3 H 2.901 0.020 2 712 82 82 ARG CA C 53.706 0.400 1 713 82 82 ARG CB C 34.286 0.400 1 714 82 82 ARG CG C 26.906 0.400 1 715 82 82 ARG CD C 43.510 0.400 1 716 82 82 ARG N N 115.636 0.400 1 717 83 83 PHE H H 9.126 0.020 1 718 83 83 PHE HA H 5.211 0.020 1 719 83 83 PHE HB2 H 3.115 0.020 2 720 83 83 PHE HB3 H 2.970 0.020 2 721 83 83 PHE HD1 H 7.285 0.020 1 722 83 83 PHE HD2 H 7.285 0.020 1 723 83 83 PHE HE1 H 7.366 0.020 1 724 83 83 PHE HE2 H 7.366 0.020 1 725 83 83 PHE HZ H 7.366 0.020 1 726 83 83 PHE CA C 54.968 0.400 1 727 83 83 PHE CB C 39.432 0.400 1 728 83 83 PHE N N 117.875 0.400 1 729 84 84 PRO HA H 4.007 0.020 1 730 84 84 PRO HB2 H 2.243 0.020 2 731 84 84 PRO HB3 H 1.709 0.020 2 732 84 84 PRO HG2 H 1.981 0.020 2 733 84 84 PRO HG3 H 1.898 0.020 2 734 84 84 PRO HD2 H 3.835 0.020 1 735 84 84 PRO HD3 H 3.727 0.020 1 736 84 84 PRO CA C 62.445 0.400 1 737 84 84 PRO CB C 32.829 0.400 1 738 84 84 PRO CG C 27.391 0.400 1 739 84 84 PRO CD C 51.861 0.400 1 740 85 85 ASP H H 8.743 0.020 1 741 85 85 ASP HA H 4.140 0.020 1 742 85 85 ASP HB2 H 2.362 0.020 2 743 85 85 ASP HB3 H 1.881 0.020 2 744 85 85 ASP CA C 54.774 0.400 1 745 85 85 ASP CB C 40.889 0.400 1 746 85 85 ASP N N 119.707 0.400 1 747 86 86 GLU H H 9.300 0.020 1 748 86 86 GLU HA H 3.794 0.020 1 749 86 86 GLU HB2 H 2.219 0.020 2 750 86 86 GLU HB3 H 1.790 0.020 2 751 86 86 GLU HG2 H 2.392 0.020 2 752 86 86 GLU HG3 H 2.301 0.020 2 753 86 86 GLU CA C 60.406 0.400 1 754 86 86 GLU CB C 31.658 0.400 1 755 86 86 GLU CG C 34.965 0.400 1 756 86 86 GLU N N 131.920 0.400 1 757 87 87 ASN H H 7.022 0.020 1 758 87 87 ASN HA H 4.120 0.020 1 759 87 87 ASN HB2 H 3.377 0.020 2 760 87 87 ASN HB3 H 2.733 0.020 2 761 87 87 ASN HD21 H 7.846 0.020 2 762 87 87 ASN HD22 H 6.586 0.020 2 763 87 87 ASN CA C 52.832 0.400 1 764 87 87 ASN CB C 39.529 0.400 1 765 87 87 ASN N N 106.985 0.400 1 766 87 87 ASN ND2 N 116.145 0.400 1 767 88 88 PHE H H 8.291 0.020 1 768 88 88 PHE HA H 5.978 0.020 1 769 88 88 PHE HB2 H 3.564 0.020 2 770 88 88 PHE HB3 H 2.553 0.020 2 771 88 88 PHE HD1 H 7.266 0.020 1 772 88 88 PHE HD2 H 7.266 0.020 1 773 88 88 PHE CA C 56.036 0.400 1 774 88 88 PHE CB C 38.364 0.400 1 775 88 88 PHE N N 113.295 0.400 1 776 89 89 THR H H 8.526 0.020 1 777 89 89 THR HA H 3.734 0.020 1 778 89 89 THR HB H 3.742 0.020 1 779 89 89 THR HG2 H 1.173 0.020 1 780 89 89 THR CA C 66.815 0.400 1 781 89 89 THR CB C 69.048 0.400 1 782 89 89 THR CG2 C 21.954 0.400 1 783 89 89 THR N N 118.079 0.400 1 784 90 90 LEU H H 8.122 0.020 1 785 90 90 LEU HA H 4.460 0.020 1 786 90 90 LEU HB2 H 1.772 0.020 2 787 90 90 LEU HB3 H 1.464 0.020 2 788 90 90 LEU HG H 1.616 0.020 1 789 90 90 LEU HD2 H 0.806 0.020 1 790 90 90 LEU CA C 54.483 0.400 1 791 90 90 LEU CB C 40.889 0.400 1 792 90 90 LEU CG C 28.265 0.400 1 793 90 90 LEU CD1 C 21.338 0.400 1 794 90 90 LEU CD2 C 25.546 0.400 1 795 90 90 LEU N N 118.893 0.400 1 796 91 91 LYS H H 8.268 0.020 1 797 91 91 LYS HA H 4.662 0.020 1 798 91 91 LYS HB2 H 2.214 0.020 2 799 91 91 LYS HB3 H 1.604 0.020 2 800 91 91 LYS HG2 H 1.468 0.020 2 801 91 91 LYS HG3 H 1.390 0.020 2 802 91 91 LYS HD2 H 1.621 0.020 2 803 91 91 LYS HD3 H 1.567 0.020 2 804 91 91 LYS HE2 H 3.044 0.020 1 805 91 91 LYS HE3 H 3.044 0.020 1 806 91 91 LYS CA C 54.094 0.400 1 807 91 91 LYS CB C 34.286 0.400 1 808 91 91 LYS CG C 25.644 0.400 1 809 91 91 LYS CD C 28.265 0.400 1 810 91 91 LYS CE C 42.636 0.400 1 811 91 91 LYS N N 118.588 0.400 1 812 92 92 HIS H H 10.878 0.020 1 813 92 92 HIS HA H 4.385 0.020 1 814 92 92 HIS HB2 H 3.053 0.020 2 815 92 92 HIS HB3 H 2.859 0.020 2 816 92 92 HIS CA C 56.910 0.400 1 817 92 92 HIS CB C 25.838 0.400 1 818 92 92 HIS N N 123.473 0.400 1 819 93 93 VAL H H 7.024 0.020 1 820 93 93 VAL HA H 3.997 0.020 1 821 93 93 VAL HB H 2.348 0.020 1 822 93 93 VAL HG1 H 0.978 0.020 1 823 93 93 VAL HG2 H 0.830 0.020 1 824 93 93 VAL CA C 63.416 0.400 1 825 93 93 VAL CB C 32.732 0.400 1 826 93 93 VAL CG1 C 22.245 0.400 1 827 93 93 VAL CG2 C 17.778 0.400 1 828 93 93 VAL N N 113.906 0.400 1 829 94 94 GLY H H 7.300 0.020 1 830 94 94 GLY HA2 H 4.389 0.020 1 831 94 94 GLY HA3 H 3.635 0.020 1 832 94 94 GLY CA C 45.744 0.400 1 833 94 94 GLY N N 105.612 0.400 1 834 95 95 PRO HA H 3.756 0.020 1 835 95 95 PRO HB2 H 1.964 0.020 2 836 95 95 PRO HB3 H 1.843 0.020 2 837 95 95 PRO HD2 H 3.601 0.020 1 838 95 95 PRO HD3 H 3.423 0.020 1 839 95 95 PRO CA C 62.542 0.400 1 840 95 95 PRO CB C 31.858 0.400 1 841 95 95 PRO CG C 26.818 0.400 1 842 95 95 PRO CD C 49.165 0.400 1 843 96 96 GLY H H 9.006 0.020 1 844 96 96 GLY HA2 H 4.467 0.020 1 845 96 96 GLY HA3 H 3.243 0.020 1 846 96 96 GLY CA C 45.064 0.400 1 847 96 96 GLY N N 109.733 0.400 1 848 97 97 VAL H H 6.645 0.020 1 849 97 97 VAL HA H 3.633 0.020 1 850 97 97 VAL HB H 2.029 0.020 1 851 97 97 VAL HG1 H 0.956 0.020 1 852 97 97 VAL HG2 H 1.366 0.020 1 853 97 97 VAL CA C 64.484 0.400 1 854 97 97 VAL CB C 33.509 0.400 1 855 97 97 VAL CG1 C 24.284 0.400 1 856 97 97 VAL CG2 C 24.673 0.400 1 857 97 97 VAL N N 119.605 0.400 1 858 98 98 LEU H H 7.358 0.020 1 859 98 98 LEU HA H 4.806 0.020 1 860 98 98 LEU HB2 H 0.519 0.020 2 861 98 98 LEU HB3 H 0.265 0.020 2 862 98 98 LEU HG H -0.037 0.020 1 863 98 98 LEU HD1 H 0.308 0.020 1 864 98 98 LEU HD2 H -0.504 0.020 1 865 98 98 LEU CA C 50.150 0.400 1 866 98 98 LEU CB C 44.093 0.400 1 867 98 98 LEU CG C 25.741 0.400 1 868 98 98 LEU CD1 C 24.187 0.400 1 869 98 98 LEU CD2 C 27.254 0.400 1 870 98 98 LEU N N 129.783 0.400 1 871 99 99 SER H H 8.252 0.020 1 872 99 99 SER HA H 5.210 0.020 1 873 99 99 SER HB2 H 2.777 0.020 1 874 99 99 SER HB3 H 2.777 0.020 1 875 99 99 SER CA C 55.454 0.400 1 876 99 99 SER CB C 64.970 0.400 1 877 99 99 SER N N 121.030 0.400 1 878 100 100 MET H H 8.542 0.020 1 879 100 100 MET HA H 5.345 0.020 1 880 100 100 MET HB2 H 2.762 0.020 2 881 100 100 MET HB3 H 2.417 0.020 2 882 100 100 MET HG2 H 2.588 0.020 2 883 100 100 MET HG3 H 2.349 0.020 2 884 100 100 MET CA C 53.609 0.400 1 885 100 100 MET CB C 31.955 0.400 1 886 100 100 MET CG C 31.178 0.400 1 887 100 100 MET N N 123.371 0.400 1 888 102 102 ASN HA H 4.775 0.020 1 889 102 102 ASN HB2 H 3.291 0.020 2 890 102 102 ASN HB3 H 2.929 0.020 2 891 102 102 ASN CA C 54.228 0.400 1 892 102 102 ASN CB C 40.403 0.400 1 893 103 103 ALA H H 8.832 0.020 1 894 103 103 ALA HA H 4.799 0.020 1 895 103 103 ALA HB H 1.312 0.020 1 896 103 103 ALA CA C 50.293 0.400 1 897 103 103 ALA CB C 19.235 0.400 1 898 103 103 ALA N N 123.269 0.400 1 899 104 104 GLY H H 8.151 0.020 1 900 104 104 GLY HA2 H 4.619 0.020 1 901 104 104 GLY HA3 H 3.702 0.020 1 902 104 104 GLY CA C 43.510 0.400 1 903 104 104 GLY N N 109.224 0.400 1 904 105 105 PRO HA H 4.367 0.020 1 905 105 105 PRO HB2 H 2.324 0.020 2 906 105 105 PRO HB3 H 1.803 0.020 2 907 105 105 PRO HD2 H 3.617 0.020 1 908 105 105 PRO HD3 H 3.520 0.020 1 909 105 105 PRO CA C 64.096 0.400 1 910 105 105 PRO CB C 31.955 0.400 1 911 105 105 PRO CG C 27.021 0.400 1 912 105 105 PRO CD C 49.239 0.400 1 913 106 106 ASN H H 8.958 0.020 1 914 106 106 ASN HA H 3.994 0.020 1 915 106 106 ASN HB2 H 3.086 0.020 2 916 106 106 ASN HB3 H 2.638 0.020 2 917 106 106 ASN HD21 H 7.791 0.020 2 918 106 106 ASN HD22 H 7.145 0.020 2 919 106 106 ASN CA C 54.483 0.400 1 920 106 106 ASN CB C 37.004 0.400 1 921 106 106 ASN N N 118.791 0.400 1 922 106 106 ASN ND2 N 116.552 0.400 1 923 107 107 THR H H 10.332 0.020 1 924 107 107 THR HA H 4.396 0.020 1 925 107 107 THR HB H 4.412 0.020 1 926 107 107 THR HG2 H 0.884 0.020 1 927 107 107 THR CA C 60.406 0.400 1 928 107 107 THR CB C 68.951 0.400 1 929 107 107 THR CG2 C 21.177 0.400 1 930 107 107 THR N N 110.548 0.400 1 931 108 108 ASN H H 7.102 0.020 1 932 108 108 ASN HA H 4.222 0.020 1 933 108 108 ASN HB2 H 1.514 0.020 2 934 108 108 ASN HB3 H 0.996 0.020 2 935 108 108 ASN HD21 H 7.572 0.020 2 936 108 108 ASN HD22 H 5.952 0.020 2 937 108 108 ASN CA C 55.648 0.400 1 938 108 108 ASN CB C 39.820 0.400 1 939 108 108 ASN N N 120.114 0.400 1 940 108 108 ASN ND2 N 112.583 0.400 1 941 109 109 GLY H H 9.166 0.020 1 942 109 109 GLY HA2 H 4.605 0.020 1 943 109 109 GLY HA3 H 3.645 0.020 1 944 109 109 GLY CA C 45.938 0.400 1 945 109 109 GLY N N 110.853 0.400 1 946 110 110 SER H H 8.866 0.020 1 947 110 110 SER HA H 4.770 0.020 1 948 110 110 SER CA C 57.532 0.400 1 949 110 110 SER CB C 65.756 0.400 1 950 110 110 SER N N 117.163 0.400 1 951 111 111 GLN H H 8.487 0.020 1 952 111 111 GLN HA H 5.284 0.020 1 953 111 111 GLN HB2 H 2.234 0.020 2 954 111 111 GLN HB3 H 2.117 0.020 2 955 111 111 GLN HG2 H 2.450 0.020 2 956 111 111 GLN HG3 H 1.869 0.020 2 957 111 111 GLN CA C 57.784 0.400 1 958 111 111 GLN CB C 32.052 0.400 1 959 111 111 GLN CG C 35.645 0.400 1 960 111 111 GLN N N 124.796 0.400 1 961 112 112 PHE H H 8.796 0.020 1 962 112 112 PHE HA H 5.904 0.020 1 963 112 112 PHE HB2 H 3.332 0.020 2 964 112 112 PHE HB3 H 3.258 0.020 2 965 112 112 PHE HD1 H 6.797 0.020 1 966 112 112 PHE HD2 H 6.797 0.020 1 967 112 112 PHE HE1 H 6.991 0.020 1 968 112 112 PHE HE2 H 6.991 0.020 1 969 112 112 PHE HZ H 6.991 0.020 1 970 112 112 PHE CA C 55.357 0.400 1 971 112 112 PHE CB C 43.122 0.400 1 972 112 112 PHE N N 118.893 0.400 1 973 113 113 PHE H H 9.715 0.020 1 974 113 113 PHE HA H 5.716 0.020 1 975 113 113 PHE HB2 H 2.720 0.020 1 976 113 113 PHE HB3 H 2.720 0.020 1 977 113 113 PHE HD1 H 6.740 0.020 1 978 113 113 PHE HD2 H 6.740 0.020 1 979 113 113 PHE HE1 H 6.740 0.020 1 980 113 113 PHE HE2 H 6.740 0.020 1 981 113 113 PHE HZ H 6.740 0.020 1 982 113 113 PHE CA C 54.871 0.400 1 983 113 113 PHE CB C 43.899 0.400 1 984 113 113 PHE N N 115.229 0.400 1 985 114 114 ILE H H 8.765 0.020 1 986 114 114 ILE HA H 5.011 0.020 1 987 114 114 ILE HB H 1.596 0.020 1 988 114 114 ILE HG12 H 1.878 0.020 1 989 114 114 ILE HG13 H 0.859 0.020 1 990 114 114 ILE HG2 H 0.739 0.020 1 991 114 114 ILE HD1 H 0.958 0.020 1 992 114 114 ILE CA C 59.338 0.400 1 993 114 114 ILE CB C 40.889 0.400 1 994 114 114 ILE CG1 C 28.168 0.400 1 995 114 114 ILE CG2 C 18.070 0.400 1 996 114 114 ILE CD1 C 13.991 0.400 1 997 114 114 ILE N N 117.366 0.400 1 998 115 115 CYS H H 9.067 0.020 1 999 115 115 CYS HA H 4.767 0.020 1 1000 115 115 CYS HB2 H 1.857 0.020 2 1001 115 115 CYS HB3 H 0.945 0.020 2 1002 115 115 CYS CA C 60.348 0.400 1 1003 115 115 CYS CB C 28.945 0.400 1 1004 115 115 CYS N N 125.508 0.400 1 1005 116 116 THR H H 8.848 0.020 1 1006 116 116 THR HA H 4.393 0.020 1 1007 116 116 THR HB H 4.389 0.020 1 1008 116 116 THR HG2 H 0.811 0.020 1 1009 116 116 THR CA C 61.086 0.400 1 1010 116 116 THR CB C 67.592 0.400 1 1011 116 116 THR CG2 C 23.313 0.400 1 1012 116 116 THR N N 113.601 0.400 1 1013 117 117 ILE H H 7.599 0.020 1 1014 117 117 ILE HA H 4.357 0.020 1 1015 117 117 ILE HB H 1.810 0.020 1 1016 117 117 ILE HG12 H 1.354 0.020 1 1017 117 117 ILE HG13 H 1.264 0.020 1 1018 117 117 ILE HG2 H 1.126 0.020 1 1019 117 117 ILE HD1 H 0.927 0.020 1 1020 117 117 ILE CA C 59.823 0.400 1 1021 117 117 ILE CB C 44.093 0.400 1 1022 117 117 ILE CG1 C 27.100 0.400 1 1023 117 117 ILE CG2 C 15.059 0.400 1 1024 117 117 ILE CD1 C 17.681 0.400 1 1025 117 117 ILE N N 118.079 0.400 1 1026 118 118 LYS H H 8.272 0.020 1 1027 118 118 LYS HA H 3.760 0.020 1 1028 118 118 LYS HB2 H 1.982 0.020 2 1029 118 118 LYS HB3 H 1.652 0.020 2 1030 118 118 LYS HG2 H 1.607 0.020 1 1031 118 118 LYS HG3 H 1.607 0.020 1 1032 118 118 LYS HD2 H 1.760 0.020 2 1033 118 118 LYS HD3 H 1.759 0.020 2 1034 118 118 LYS HE2 H 3.009 0.020 1 1035 118 118 LYS HE3 H 3.009 0.020 1 1036 118 118 LYS CA C 57.396 0.400 1 1037 118 118 LYS CB C 32.926 0.400 1 1038 118 118 LYS CG C 24.576 0.400 1 1039 118 118 LYS CD C 29.819 0.400 1 1040 118 118 LYS CE C 41.183 0.400 1 1041 118 118 LYS N N 120.928 0.400 1 1042 119 119 THR H H 7.833 0.020 1 1043 119 119 THR HA H 3.566 0.020 1 1044 119 119 THR HB H 2.910 0.020 1 1045 119 119 THR HG2 H 1.035 0.020 1 1046 119 119 THR CA C 57.299 0.400 1 1047 119 119 THR CB C 67.883 0.400 1 1048 119 119 THR CG2 C 20.594 0.400 1 1049 119 119 THR N N 121.336 0.400 1 1050 120 120 ASP H H 8.413 0.020 1 1051 120 120 ASP HA H 3.549 0.020 1 1052 120 120 ASP CA C 57.105 0.400 1 1053 120 120 ASP CB C 39.602 0.400 1 1054 120 120 ASP N N 121.743 0.400 1 1055 121 121 TRP H H 7.372 0.020 1 1056 121 121 TRP HA H 5.487 0.020 1 1057 121 121 TRP HB2 H 3.402 0.020 2 1058 121 121 TRP HB3 H 3.331 0.020 2 1059 121 121 TRP HE1 H 9.986 0.020 1 1060 121 121 TRP CA C 59.921 0.400 1 1061 121 121 TRP CB C 26.809 0.400 1 1062 121 121 TRP N N 118.384 0.400 1 1063 121 121 TRP NE1 N 130.393 0.400 1 1064 122 122 LEU H H 7.112 0.020 1 1065 122 122 LEU HA H 4.290 0.020 1 1066 122 122 LEU HB2 H 1.284 0.020 2 1067 122 122 LEU HB3 H 0.244 0.020 2 1068 122 122 LEU HG H 1.678 0.020 1 1069 122 122 LEU HD1 H 0.431 0.020 1 1070 122 122 LEU HD2 H 0.840 0.020 1 1071 122 122 LEU CA C 54.289 0.400 1 1072 122 122 LEU CB C 38.947 0.400 1 1073 122 122 LEU CG C 29.334 0.400 1 1074 122 122 LEU CD1 C 25.061 0.400 1 1075 122 122 LEU CD2 C 21.565 0.400 1 1076 122 122 LEU N N 119.809 0.400 1 1077 123 123 ASP H H 7.562 0.020 1 1078 123 123 ASP HA H 5.211 0.020 1 1079 123 123 ASP HB2 H 2.896 0.020 2 1080 123 123 ASP HB3 H 2.748 0.020 2 1081 123 123 ASP CA C 55.939 0.400 1 1082 123 123 ASP CB C 39.432 0.400 1 1083 123 123 ASP N N 122.760 0.400 1 1084 124 124 GLY H H 9.506 0.020 1 1085 124 124 GLY HA2 H 3.909 0.020 1 1086 124 124 GLY HA3 H 2.848 0.020 1 1087 124 124 GLY CA C 44.967 0.400 1 1088 124 124 GLY N N 111.464 0.400 1 1089 125 125 LYS H H 7.882 0.020 1 1090 125 125 LYS HA H 4.141 0.020 1 1091 125 125 LYS HB2 H 1.824 0.020 2 1092 125 125 LYS HB3 H 1.751 0.020 2 1093 125 125 LYS HG2 H 1.260 0.020 2 1094 125 125 LYS HG3 H 1.210 0.020 2 1095 125 125 LYS HD2 H 1.676 0.020 1 1096 125 125 LYS HD3 H 1.676 0.020 1 1097 125 125 LYS HE2 H 3.019 0.020 1 1098 125 125 LYS HE3 H 3.019 0.020 1 1099 125 125 LYS CA C 56.425 0.400 1 1100 125 125 LYS CB C 35.354 0.400 1 1101 125 125 LYS CG C 25.255 0.400 1 1102 125 125 LYS CD C 29.334 0.400 1 1103 125 125 LYS CE C 42.442 0.400 1 1104 125 125 LYS N N 115.636 0.400 1 1105 126 126 HIS H H 7.522 0.020 1 1106 126 126 HIS HA H 4.769 0.020 1 1107 126 126 HIS HB2 H 3.961 0.020 2 1108 126 126 HIS HB3 H 3.221 0.020 2 1109 126 126 HIS CA C 54.888 0.400 1 1110 126 126 HIS CB C 31.664 0.400 1 1111 126 126 HIS N N 119.198 0.400 1 1112 127 127 VAL H H 8.557 0.020 1 1113 127 127 VAL HA H 4.216 0.020 1 1114 127 127 VAL HB H 1.987 0.020 1 1115 127 127 VAL HG1 H 1.121 0.020 1 1116 127 127 VAL HG2 H 1.121 0.020 1 1117 127 127 VAL CA C 63.805 0.400 1 1118 127 127 VAL CB C 33.509 0.400 1 1119 127 127 VAL CG1 C 20.788 0.400 1 1120 127 127 VAL CG2 C 20.788 0.400 1 1121 127 127 VAL N N 124.592 0.400 1 1122 128 128 VAL H H 9.644 0.020 1 1123 128 128 VAL HA H 4.081 0.020 1 1124 128 128 VAL HB H 1.653 0.020 1 1125 128 128 VAL HG1 H 0.787 0.020 1 1126 128 128 VAL HG2 H -0.022 0.020 1 1127 128 128 VAL CA C 62.834 0.400 1 1128 128 128 VAL CB C 30.887 0.400 1 1129 128 128 VAL CG1 C 22.731 0.400 1 1130 128 128 VAL CG2 C 20.012 0.400 1 1131 128 128 VAL N N 133.548 0.400 1 1132 129 129 PHE H H 8.210 0.020 1 1133 129 129 PHE HA H 4.780 0.020 1 1134 129 129 PHE HB2 H 3.091 0.020 2 1135 129 129 PHE HB3 H 2.488 0.020 2 1136 129 129 PHE HD1 H 6.598 0.020 1 1137 129 129 PHE HD2 H 6.598 0.020 1 1138 129 129 PHE HE1 H 6.842 0.020 1 1139 129 129 PHE HE2 H 6.842 0.020 1 1140 129 129 PHE HZ H 6.842 0.020 1 1141 129 129 PHE CA C 50.981 0.400 1 1142 129 129 PHE CB C 41.957 0.400 1 1143 129 129 PHE N N 117.697 0.400 1 1144 130 130 GLY H H 7.289 0.020 1 1145 130 130 GLY HA2 H 4.085 0.020 1 1146 130 130 GLY HA3 H 4.009 0.020 1 1147 130 130 GLY CA C 46.812 0.400 1 1148 130 130 GLY N N 107.393 0.400 1 1149 131 131 HIS H H 8.461 0.020 1 1150 131 131 HIS HA H 5.104 0.020 1 1151 131 131 HIS HB2 H 3.094 0.020 2 1152 131 131 HIS HB3 H 2.806 0.020 2 1153 131 131 HIS CA C 55.648 0.400 1 1154 131 131 HIS CB C 34.674 0.400 1 1155 131 131 HIS N N 118.893 0.400 1 1156 132 132 VAL H H 8.687 0.020 1 1157 132 132 VAL HA H 3.910 0.020 1 1158 132 132 VAL HB H 1.963 0.020 1 1159 132 132 VAL HG1 H 0.929 0.020 1 1160 132 132 VAL HG2 H 0.731 0.020 1 1161 132 132 VAL CA C 64.193 0.400 1 1162 132 132 VAL CB C 32.441 0.400 1 1163 132 132 VAL CG1 C 22.731 0.400 1 1164 132 132 VAL CG2 C 22.245 0.400 1 1165 132 132 VAL N N 122.760 0.400 1 1166 133 133 LYS H H 9.590 0.020 1 1167 133 133 LYS HA H 4.489 0.020 1 1168 133 133 LYS HB2 H 1.696 0.020 2 1169 133 133 LYS HB3 H 1.659 0.020 2 1170 133 133 LYS HG2 H 1.529 0.020 2 1171 133 133 LYS HG3 H 1.485 0.020 2 1172 133 133 LYS HD2 H 1.769 0.020 2 1173 133 133 LYS HD3 H 1.653 0.020 2 1174 133 133 LYS HE2 H 3.039 0.020 2 1175 133 133 LYS HE3 H 3.038 0.020 2 1176 133 133 LYS CA C 56.619 0.400 1 1177 133 133 LYS CB C 35.062 0.400 1 1178 133 133 LYS CG C 25.061 0.400 1 1179 133 133 LYS CD C 28.945 0.400 1 1180 133 133 LYS CE C 41.957 0.400 1 1181 133 133 LYS N N 131.954 0.400 1 1182 134 134 GLU H H 7.908 0.020 1 1183 134 134 GLU HA H 4.753 0.020 1 1184 134 134 GLU HB2 H 2.105 0.020 2 1185 134 134 GLU HB3 H 1.773 0.020 2 1186 134 134 GLU HG2 H 2.277 0.020 2 1187 134 134 GLU HG3 H 2.175 0.020 2 1188 134 134 GLU CA C 55.083 0.400 1 1189 134 134 GLU CB C 33.606 0.400 1 1190 134 134 GLU CG C 35.936 0.400 1 1191 134 134 GLU N N 115.636 0.400 1 1192 135 135 GLY H H 8.855 0.020 1 1193 135 135 GLY HA2 H 4.921 0.020 1 1194 135 135 GLY HA3 H 4.152 0.020 1 1195 135 135 GLY CA C 46.132 0.400 1 1196 135 135 GLY N N 109.123 0.400 1 1197 136 136 MET H H 9.014 0.020 1 1198 136 136 MET HA H 4.509 0.020 1 1199 136 136 MET HB2 H 2.101 0.020 2 1200 136 136 MET HB3 H 2.021 0.020 2 1201 136 136 MET HG2 H 1.963 0.020 1 1202 136 136 MET HG3 H 1.963 0.020 1 1203 136 136 MET CA C 56.716 0.400 1 1204 136 136 MET CB C 29.819 0.400 1 1205 136 136 MET CG C 32.052 0.400 1 1206 136 136 MET N N 122.557 0.400 1 1207 137 137 ASP H H 9.153 0.020 1 1208 137 137 ASP HA H 4.212 0.020 1 1209 137 137 ASP HB2 H 2.731 0.020 2 1210 137 137 ASP HB3 H 2.573 0.020 2 1211 137 137 ASP CA C 56.716 0.400 1 1212 137 137 ASP CB C 39.044 0.400 1 1213 137 137 ASP N N 116.858 0.400 1 1214 138 138 VAL H H 7.473 0.020 1 1215 138 138 VAL HA H 3.389 0.020 1 1216 138 138 VAL HB H 2.387 0.020 1 1217 138 138 VAL HG1 H 1.019 0.020 1 1218 138 138 VAL HG2 H 0.550 0.020 1 1219 138 138 VAL CA C 66.038 0.400 1 1220 138 138 VAL CB C 30.887 0.400 1 1221 138 138 VAL CG1 C 21.468 0.400 1 1222 138 138 VAL CG2 C 20.594 0.400 1 1223 138 138 VAL N N 123.982 0.400 1 1224 139 139 VAL H H 7.545 0.020 1 1225 139 139 VAL HA H 3.307 0.020 1 1226 139 139 VAL HB H 2.539 0.020 1 1227 139 139 VAL HG1 H 1.032 0.020 1 1228 139 139 VAL HG2 H 0.739 0.020 1 1229 139 139 VAL CA C 67.009 0.400 1 1230 139 139 VAL CB C 30.887 0.400 1 1231 139 139 VAL CG1 C 23.799 0.400 1 1232 139 139 VAL CG2 C 21.954 0.400 1 1233 139 139 VAL N N 120.928 0.400 1 1234 140 140 LYS H H 8.146 0.020 1 1235 140 140 LYS HA H 4.151 0.020 1 1236 140 140 LYS HB2 H 2.540 0.020 2 1237 140 140 LYS HB3 H 2.386 0.020 2 1238 140 140 LYS HG2 H 1.651 0.020 2 1239 140 140 LYS HG3 H 1.555 0.020 2 1240 140 140 LYS HD2 H 1.676 0.020 2 1241 140 140 LYS HD3 H 1.592 0.020 2 1242 140 140 LYS HE2 H 2.948 0.020 2 1243 140 140 LYS HE3 H 2.859 0.020 2 1244 140 140 LYS CA C 57.978 0.400 1 1245 140 140 LYS CB C 30.887 0.400 1 1246 140 140 LYS CG C 24.187 0.400 1 1247 140 140 LYS CD C 26.906 0.400 1 1248 140 140 LYS CE C 41.374 0.400 1 1249 140 140 LYS N N 117.366 0.400 1 1250 141 141 LYS H H 7.547 0.020 1 1251 141 141 LYS HA H 3.955 0.020 1 1252 141 141 LYS HB2 H 2.125 0.020 2 1253 141 141 LYS HB3 H 1.883 0.020 2 1254 141 141 LYS HG2 H 1.709 0.020 2 1255 141 141 LYS HG3 H 1.490 0.020 2 1256 141 141 LYS HD2 H 1.765 0.020 2 1257 141 141 LYS HD3 H 1.637 0.020 2 1258 141 141 LYS HE2 H 2.969 0.020 2 1259 141 141 LYS HE3 H 2.903 0.020 2 1260 141 141 LYS CA C 59.435 0.400 1 1261 141 141 LYS CB C 32.732 0.400 1 1262 141 141 LYS CG C 25.547 0.400 1 1263 141 141 LYS CD C 30.013 0.400 1 1264 141 141 LYS CE C 42.151 0.400 1 1265 141 141 LYS N N 120.987 0.400 1 1266 142 142 ILE H H 8.143 0.020 1 1267 142 142 ILE HA H 3.329 0.020 1 1268 142 142 ILE HB H 2.072 0.020 1 1269 142 142 ILE HG12 H 1.766 0.020 1 1270 142 142 ILE HG13 H 0.341 0.020 1 1271 142 142 ILE HG2 H 0.457 0.020 1 1272 142 142 ILE HD1 H 0.072 0.020 1 1273 142 142 ILE CA C 67.009 0.400 1 1274 142 142 ILE CB C 37.976 0.400 1 1275 142 142 ILE CG1 C 27.877 0.400 1 1276 142 142 ILE CG2 C 17.487 0.400 1 1277 142 142 ILE CD1 C 13.117 0.400 1 1278 142 142 ILE N N 121.030 0.400 1 1279 143 143 GLU H H 8.211 0.020 1 1280 143 143 GLU HA H 3.483 0.020 1 1281 143 143 GLU HB2 H 2.282 0.020 2 1282 143 143 GLU HB3 H 1.774 0.020 2 1283 143 143 GLU HG2 H 2.181 0.020 2 1284 143 143 GLU HG3 H 2.085 0.020 2 1285 143 143 GLU CA C 58.755 0.400 1 1286 143 143 GLU CB C 30.499 0.400 1 1287 143 143 GLU CG C 36.616 0.400 1 1288 143 143 GLU N N 117.570 0.400 1 1289 144 144 SER H H 7.337 0.020 1 1290 144 144 SER HA H 4.142 0.020 1 1291 144 144 SER HB2 H 3.756 0.020 2 1292 144 144 SER HB3 H 3.700 0.020 2 1293 144 144 SER CA C 60.794 0.400 1 1294 144 144 SER CB C 62.931 0.400 1 1295 144 144 SER N N 113.601 0.400 1 1296 145 145 PHE H H 7.711 0.020 1 1297 145 145 PHE HA H 4.962 0.020 1 1298 145 145 PHE HB2 H 3.548 0.020 2 1299 145 145 PHE HB3 H 2.976 0.020 2 1300 145 145 PHE HD1 H 7.074 0.020 1 1301 145 145 PHE HD2 H 7.074 0.020 1 1302 145 145 PHE HE1 H 7.290 0.020 1 1303 145 145 PHE HE2 H 7.290 0.020 1 1304 145 145 PHE HZ H 7.290 0.020 1 1305 145 145 PHE CA C 57.590 0.400 1 1306 145 145 PHE CB C 39.238 0.400 1 1307 145 145 PHE N N 119.707 0.400 1 1308 146 146 GLY H H 7.809 0.020 1 1309 146 146 GLY HA2 H 4.470 0.020 1 1310 146 146 GLY HA3 H 3.614 0.020 1 1311 146 146 GLY CA C 44.287 0.400 1 1312 146 146 GLY N N 105.204 0.400 1 1313 147 147 SER H H 8.239 0.020 1 1314 147 147 SER HA H 4.760 0.020 1 1315 147 147 SER HB2 H 4.155 0.020 1 1316 147 147 SER HB3 H 4.155 0.020 1 1317 147 147 SER CA C 57.928 0.400 1 1318 147 147 SER CB C 66.182 0.400 1 1319 147 147 SER N N 110.039 0.400 1 1320 149 149 SER HA H 4.256 0.020 1 1321 149 149 SER HB2 H 3.885 0.020 1 1322 149 149 SER HB3 H 3.885 0.020 1 1323 149 149 SER CA C 60.018 0.400 1 1324 149 149 SER CB C 64.581 0.400 1 1325 150 150 GLY H H 8.089 0.020 1 1326 150 150 GLY HA2 H 4.242 0.020 1 1327 150 150 GLY HA3 H 3.861 0.020 1 1328 150 150 GLY CA C 44.481 0.400 1 1329 150 150 GLY N N 113.397 0.400 1 1330 151 151 LYS H H 7.301 0.020 1 1331 151 151 LYS HA H 4.435 0.020 1 1332 151 151 LYS HB2 H 1.721 0.020 2 1333 151 151 LYS HB3 H 1.720 0.020 2 1334 151 151 LYS HG2 H 1.529 0.020 1 1335 151 151 LYS HG3 H 1.529 0.020 1 1336 151 151 LYS HD2 H 1.740 0.020 2 1337 151 151 LYS HD3 H 1.721 0.020 2 1338 151 151 LYS HE2 H 3.048 0.020 2 1339 151 151 LYS HE3 H 3.047 0.020 2 1340 151 151 LYS CA C 56.619 0.400 1 1341 151 151 LYS CB C 32.732 0.400 1 1342 151 151 LYS CG C 24.673 0.400 1 1343 151 151 LYS CD C 28.945 0.400 1 1344 151 151 LYS CE C 42.151 0.400 1 1345 151 151 LYS N N 119.707 0.400 1 1346 152 152 THR H H 8.768 0.020 1 1347 152 152 THR HA H 5.486 0.020 1 1348 152 152 THR HB H 4.589 0.020 1 1349 152 152 THR HG2 H 1.294 0.020 1 1350 152 152 THR CA C 59.823 0.400 1 1351 152 152 THR CB C 71.184 0.400 1 1352 152 152 THR CG2 C 22.342 0.400 1 1353 152 152 THR N N 116.654 0.400 1 1354 153 153 SER H H 9.406 0.020 1 1355 153 153 SER HA H 4.409 0.020 1 1356 153 153 SER HB2 H 4.156 0.020 2 1357 153 153 SER HB3 H 4.035 0.020 2 1358 153 153 SER CA C 59.047 0.400 1 1359 153 153 SER CB C 63.513 0.400 1 1360 153 153 SER N N 116.552 0.400 1 1361 154 154 LYS H H 7.361 0.020 1 1362 154 154 LYS HA H 4.482 0.020 1 1363 154 154 LYS HB2 H 1.165 0.020 2 1364 154 154 LYS HB3 H 0.759 0.020 2 1365 154 154 LYS HG2 H 1.317 0.020 2 1366 154 154 LYS HG3 H 1.014 0.020 2 1367 154 154 LYS HD2 H 1.221 0.020 2 1368 154 154 LYS HD3 H 0.814 0.020 2 1369 154 154 LYS HE2 H 2.903 0.020 2 1370 154 154 LYS HE3 H 2.825 0.020 2 1371 154 154 LYS CA C 54.580 0.400 1 1372 154 154 LYS CB C 38.170 0.400 1 1373 154 154 LYS CG C 25.838 0.400 1 1374 154 154 LYS CD C 29.431 0.400 1 1375 154 154 LYS CE C 41.683 0.400 1 1376 154 154 LYS N N 118.384 0.400 1 1377 155 155 LYS H H 8.866 0.020 1 1378 155 155 LYS HA H 4.187 0.020 1 1379 155 155 LYS HB2 H 1.758 0.020 2 1380 155 155 LYS HG2 H 1.432 0.020 2 1381 155 155 LYS HG3 H 1.200 0.020 2 1382 155 155 LYS HD2 H 1.647 0.020 2 1383 155 155 LYS HD3 H 1.644 0.020 2 1384 155 155 LYS HE2 H 2.896 0.020 1 1385 155 155 LYS HE3 H 2.896 0.020 1 1386 155 155 LYS CA C 56.910 0.400 1 1387 155 155 LYS CB C 32.052 0.400 1 1388 155 155 LYS CG C 24.964 0.400 1 1389 155 155 LYS CD C 29.334 0.400 1 1390 155 155 LYS CE C 41.079 0.400 1 1391 155 155 LYS N N 123.575 0.400 1 1392 156 156 ILE H H 9.302 0.020 1 1393 156 156 ILE HA H 4.947 0.020 1 1394 156 156 ILE HB H 2.365 0.020 1 1395 156 156 ILE HG12 H 1.535 0.020 1 1396 156 156 ILE HG13 H 1.355 0.020 1 1397 156 156 ILE HG2 H 0.758 0.020 1 1398 156 156 ILE HD1 H 0.691 0.020 1 1399 156 156 ILE CA C 59.338 0.400 1 1400 156 156 ILE CB C 36.907 0.400 1 1401 156 156 ILE CG1 C 26.032 0.400 1 1402 156 156 ILE CG2 C 19.526 0.400 1 1403 156 156 ILE CD1 C 13.312 0.400 1 1404 156 156 ILE N N 132.327 0.400 1 1405 157 157 VAL H H 8.889 0.020 1 1406 157 157 VAL HA H 4.538 0.020 1 1407 157 157 VAL HB H 1.826 0.020 1 1408 157 157 VAL HG1 H 0.749 0.020 1 1409 157 157 VAL HG2 H 0.809 0.020 1 1410 157 157 VAL CA C 60.892 0.400 1 1411 157 157 VAL CB C 36.228 0.400 1 1412 157 157 VAL CG1 C 20.691 0.400 1 1413 157 157 VAL CG2 C 22.536 0.400 1 1414 157 157 VAL N N 127.646 0.400 1 1415 158 158 ILE H H 9.104 0.020 1 1416 158 158 ILE HA H 4.551 0.020 1 1417 158 158 ILE HB H 2.066 0.020 1 1418 158 158 ILE HG2 H 0.905 0.020 1 1419 158 158 ILE HD1 H 0.702 0.020 1 1420 158 158 ILE CA C 60.892 0.400 1 1421 158 158 ILE CB C 37.004 0.400 1 1422 158 158 ILE CG2 C 19.235 0.400 1 1423 158 158 ILE CD1 C 13.700 0.400 1 1424 158 158 ILE N N 126.526 0.400 1 1425 159 159 THR H H 8.824 0.020 1 1426 159 159 THR HA H 4.009 0.020 1 1427 159 159 THR HB H 4.205 0.020 1 1428 159 159 THR HG2 H 1.180 0.020 1 1429 159 159 THR CA C 64.193 0.400 1 1430 159 159 THR CB C 68.077 0.400 1 1431 159 159 THR CG2 C 22.245 0.400 1 1432 159 159 THR N N 123.880 0.400 1 1433 160 160 ASP H H 8.108 0.020 1 1434 160 160 ASP HA H 4.935 0.020 1 1435 160 160 ASP HB2 H 3.016 0.020 2 1436 160 160 ASP HB3 H 2.925 0.020 2 1437 160 160 ASP CA C 53.803 0.400 1 1438 160 160 ASP CB C 44.578 0.400 1 1439 160 160 ASP N N 116.450 0.400 1 1440 161 161 CYS H H 8.296 0.020 1 1441 161 161 CYS HA H 4.486 0.020 1 1442 161 161 CYS HB2 H 3.074 0.020 2 1443 161 161 CYS HB3 H 3.019 0.020 2 1444 161 161 CYS CA C 55.260 0.400 1 1445 161 161 CYS CB C 30.693 0.400 1 1446 161 161 CYS N N 115.433 0.400 1 1447 162 162 GLY H H 6.590 0.020 1 1448 162 162 GLY HA2 H 3.829 0.020 1 1449 162 162 GLY HA3 H 3.353 0.020 1 1450 162 162 GLY CA C 45.549 0.400 1 1451 162 162 GLY N N 101.617 0.400 1 1452 163 163 GLN H H 9.110 0.020 1 1453 163 163 GLN HA H 5.035 0.020 1 1454 163 163 GLN HB2 H 1.939 0.020 2 1455 163 163 GLN HB3 H 1.640 0.020 2 1456 163 163 GLN HG2 H 2.592 0.020 2 1457 163 163 GLN HG3 H 2.455 0.020 2 1458 163 163 GLN HE21 H 7.989 0.020 2 1459 163 163 GLN HE22 H 7.173 0.020 2 1460 163 163 GLN CA C 54.774 0.400 1 1461 163 163 GLN CB C 30.887 0.400 1 1462 163 163 GLN CG C 33.023 0.400 1 1463 163 163 GLN N N 120.928 0.400 1 1464 163 163 GLN NE2 N 110.548 0.400 1 1465 164 164 LEU H H 9.074 0.020 1 1466 164 164 LEU HA H 4.545 0.020 1 1467 164 164 LEU HB2 H 1.648 0.020 1 1468 164 164 LEU HB3 H 1.648 0.020 1 1469 164 164 LEU HG H 1.628 0.020 1 1470 164 164 LEU HD1 H 0.866 0.020 1 1471 164 164 LEU HD2 H 0.759 0.020 1 1472 164 164 LEU CA C 55.551 0.400 1 1473 164 164 LEU CB C 43.413 0.400 1 1474 164 164 LEU CG C 27.489 0.400 1 1475 164 164 LEU CD1 C 26.323 0.400 1 1476 164 164 LEU CD2 C 23.410 0.400 1 1477 164 164 LEU N N 127.238 0.400 1 1478 165 165 SER H H 8.118 0.020 1 1479 165 165 SER HA H 4.254 0.020 1 1480 165 165 SER HB2 H 3.886 0.020 1 1481 165 165 SER HB3 H 3.886 0.020 1 1482 165 165 SER CA C 60.018 0.400 1 1483 165 165 SER CB C 64.290 0.400 1 1484 165 165 SER N N 120.623 0.400 1 stop_ save_