data_5849 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PCI domain ; _BMRB_accession_number 5849 _BMRB_flat_file_name bmr5849.str _Entry_type original _Submission_date 2003-06-26 _Accession_date 2003-06-26 _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 Suzuki S. . . 2 Hatanaka H. . . 3 Kigawa T. . . 4 Shirouzu M. . . 5 Hayashizaki Y. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 412 "13C chemical shifts" 338 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-14 original author . stop_ _Original_release_date 2004-09-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PCI domain' _Citation_status submitted _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 Suzuki S. . . 2 Hatanaka H. . . 3 Kigawa T. . . 4 Shirouzu M. . . 5 Hayashizaki Y. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword helix-turn-helix 'structural genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system_COP9_complex_subunit_4 _Saveframe_category molecular_system _Mol_system_name 'COP9 complex subunit 4' _Abbreviation_common 'COP9 complex subunit 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'COP9 complex subunit 4' $COP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_COP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'COP9 complex subunit 4' _Abbreviation_common 'COP9 complex subunit 4' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GSSGSSGGSSILDRAVIEHN LLSASKLYNNITFEELGALL EIPAAKAEKIASQMITEGRM NGFIDQIDGIVHFETREASG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 SER 10 SER 11 ILE 12 LEU 13 ASP 14 ARG 15 ALA 16 VAL 17 ILE 18 GLU 19 HIS 20 ASN 21 LEU 22 LEU 23 SER 24 ALA 25 SER 26 LYS 27 LEU 28 TYR 29 ASN 30 ASN 31 ILE 32 THR 33 PHE 34 GLU 35 GLU 36 LEU 37 GLY 38 ALA 39 LEU 40 LEU 41 GLU 42 ILE 43 PRO 44 ALA 45 ALA 46 LYS 47 ALA 48 GLU 49 LYS 50 ILE 51 ALA 52 SER 53 GLN 54 MET 55 ILE 56 THR 57 GLU 58 GLY 59 ARG 60 MET 61 ASN 62 GLY 63 PHE 64 ILE 65 ASP 66 GLN 67 ILE 68 ASP 69 GLY 70 ILE 71 VAL 72 HIS 73 PHE 74 GLU 75 THR 76 ARG 77 GLU 78 ALA 79 SER 80 GLY 81 PRO 82 SER 83 SER 84 GLY 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 PDB 1UFM "Solution Structure Of The Pci Domain" 100.00 84 100.00 100.00 2.66e-51 EMBL CAJ82695 "COP9 constitutive photomorphogenic homolog subunit 4 (Arabidopsis) [Xenopus (Silurana) tropicalis]" 84.52 406 100.00 100.00 1.32e-38 EMBL CDQ76630 "unnamed protein product [Oncorhynchus mykiss]" 83.33 406 98.57 98.57 2.81e-37 EMBL CDQ94141 "unnamed protein product [Oncorhynchus mykiss]" 83.33 406 98.57 98.57 2.31e-37 GB AAI23028 "hypothetical protein LOC549469 [Xenopus (Silurana) tropicalis]" 84.52 406 100.00 100.00 1.32e-38 GB AAI31888 "Cops4 protein [Xenopus laevis]" 84.52 406 100.00 100.00 1.22e-38 GB ACN11367 "COP9 signalosome complex subunit 4 [Salmo salar]" 83.33 406 98.57 98.57 2.81e-37 GB AFK11174 "COP9 signalosome complex subunit 4 [Callorhinchus milii]" 84.52 417 97.18 97.18 6.59e-37 GB ETE57687 "hypothetical protein L345_16595, partial [Ophiophagus hannah]" 83.33 109 100.00 100.00 3.82e-42 REF NP_001016715 "COP9 signalosome subunit 4 [Xenopus (Silurana) tropicalis]" 84.52 406 100.00 100.00 1.32e-38 REF NP_001091298 "COP9 signalosome subunit 4 [Xenopus laevis]" 84.52 406 100.00 100.00 1.22e-38 REF NP_001167326 "COP9 signalosome complex subunit 4 [Salmo salar]" 83.33 406 98.57 98.57 2.81e-37 REF NP_001279365 "COP9 signalosome subunit 4 [Callorhinchus milii]" 84.52 417 97.18 97.18 6.59e-37 REF XP_004472727 "PREDICTED: COP9 signalosome complex subunit 4 isoform 2 [Dasypus novemcinctus]" 88.10 349 97.30 98.65 2.77e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $COP '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_name $COP 'cell free synthesis' . . . . . 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 $COP 6.1 mM '[U-13C; U-15N]' 'sodium phosphate buffer' 20 mM . NaCl 100 mM . d-DTT 1 mM . dithiothreitol 1 mM '[U-100% 2H]' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1B loop_ _Task collection stop_ _Details Varian save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.A.' save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.771 loop_ _Task 'data analysis' stop_ _Details 'Kobayashi, N.' save_ save_Olivia _Saveframe_category software _Name Olivia _Version 1.9.5 loop_ _Task 'data analysis' stop_ _Details 'Yokochi, M.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Task 'structure solution' refinement stop_ _Details 'Guentert, P.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . na temperature 298 . K 'ionic strength' 0.12 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 water H 1 . ppm 4.773 internal direct . internal . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'COP9 complex subunit 4' _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 . 5 SER CA C 58.271 0.6 . 2 . 5 SER HA H 4.497 0.03 . 3 . 5 SER CB C 63.801 0.6 . 4 . 5 SER HB2 H 3.900 0.03 . 5 . 5 SER C C 174.693 0.6 . 6 . 6 SER N N 117.840 0.4 . 7 . 6 SER H H 8.321 0.03 . 8 . 6 SER CA C 58.452 0.6 . 9 . 6 SER HA H 4.512 0.03 . 10 . 6 SER CB C 63.827 0.6 . 11 . 6 SER HB2 H 3.907 0.03 . 12 . 6 SER C C 175.117 0.6 . 13 . 7 GLY N N 110.853 0.4 . 14 . 7 GLY H H 8.456 0.03 . 15 . 7 GLY CA C 45.369 0.6 . 16 . 7 GLY HA2 H 4.004 0.03 . 17 . 7 GLY C C 174.743 0.6 . 18 . 8 GLY N N 108.916 0.4 . 19 . 8 GLY H H 8.296 0.03 . 20 . 8 GLY CA C 45.264 0.6 . 21 . 8 GLY HA2 H 4.011 0.03 . 22 . 8 GLY C C 174.344 0.6 . 23 . 9 SER N N 115.783 0.4 . 24 . 9 SER H H 8.291 0.03 . 25 . 9 SER CA C 58.237 0.6 . 26 . 9 SER HA H 4.529 0.03 . 27 . 9 SER CB C 63.935 0.6 . 28 . 9 SER HB2 H 3.891 0.03 . 29 . 9 SER C C 174.483 0.6 . 30 . 10 SER N N 118.213 0.4 . 31 . 10 SER H H 8.457 0.03 . 32 . 10 SER CA C 58.521 0.6 . 33 . 10 SER HA H 4.497 0.03 . 34 . 10 SER CB C 63.822 0.6 . 35 . 10 SER HB2 H 3.902 0.03 . 36 . 10 SER C C 174.772 0.6 . 37 . 11 ILE N N 122.464 0.4 . 38 . 11 ILE H H 8.135 0.03 . 39 . 11 ILE CA C 61.888 0.6 . 40 . 11 ILE HA H 4.135 0.03 . 41 . 11 ILE CB C 38.327 0.6 . 42 . 11 ILE HB H 1.873 0.03 . 43 . 11 ILE CG1 C 27.521 0.6 . 44 . 11 ILE HG12 H 1.194 0.03 . 45 . 11 ILE HG13 H 1.474 0.03 . 46 . 11 ILE CG2 C 17.285 0.6 . 47 . 11 ILE HG2 H 0.907 0.03 . 48 . 11 ILE CD1 C 12.887 0.6 . 49 . 11 ILE HD1 H 0.859 0.03 . 50 . 11 ILE C C 176.374 0.6 . 51 . 12 LEU N N 125.088 0.4 . 52 . 12 LEU H H 8.117 0.03 . 53 . 12 LEU CA C 55.590 0.6 . 54 . 12 LEU HA H 4.299 0.03 . 55 . 12 LEU CB C 42.500 0.6 . 56 . 12 LEU HB2 H 1.632 0.03 . 57 . 12 LEU HB3 H 1.524 0.03 . 58 . 12 LEU CG C 27.080 0.6 . 59 . 12 LEU HG H 1.626 0.03 . 60 . 12 LEU CD1 C 23.503 0.6 . 61 . 12 LEU HD1 H 0.886 0.03 . 62 . 12 LEU CD2 C 24.905 0.6 . 63 . 12 LEU HD2 H 0.886 0.03 . 64 . 12 LEU C C 177.000 0.6 . 65 . 13 ASP N N 121.569 0.4 . 66 . 13 ASP H H 8.215 0.03 . 67 . 13 ASP CA C 54.434 0.6 . 68 . 13 ASP HA H 4.536 0.03 . 69 . 13 ASP CB C 41.143 0.6 . 70 . 13 ASP HB2 H 2.784 0.03 . 71 . 13 ASP HB3 H 2.667 0.03 . 72 . 13 ASP C C 177.092 0.6 . 73 . 14 ARG N N 123.291 0.4 . 74 . 14 ARG H H 8.359 0.03 . 75 . 14 ARG CA C 59.034 0.6 . 76 . 14 ARG HA H 3.883 0.03 . 77 . 14 ARG CB C 30.165 0.6 . 78 . 14 ARG HB2 H 1.934 0.03 . 79 . 14 ARG HB3 H 1.883 0.03 . 80 . 14 ARG CG C 27.962 0.6 . 81 . 14 ARG HG2 H 1.574 0.03 . 82 . 14 ARG HG3 H 1.615 0.03 . 83 . 14 ARG CD C 42.790 0.6 . 84 . 14 ARG HD2 H 3.207 0.03 . 85 . 14 ARG C C 177.102 0.6 . 86 . 15 ALA N N 120.267 0.4 . 87 . 15 ALA H H 8.254 0.03 . 88 . 15 ALA CA C 55.194 0.6 . 89 . 15 ALA HA H 4.105 0.03 . 90 . 15 ALA CB C 18.269 0.6 . 91 . 15 ALA HB H 1.468 0.03 . 92 . 15 ALA C C 170.400 0.6 . 93 . 16 VAL N N 119.729 0.4 . 94 . 16 VAL H H 7.543 0.03 . 95 . 16 VAL CA C 66.007 0.6 . 96 . 16 VAL HA H 3.716 0.03 . 97 . 16 VAL CB C 31.970 0.6 . 98 . 16 VAL HB H 2.210 0.03 . 99 . 16 VAL CG1 C 22.674 0.6 . 100 . 16 VAL HG1 H 1.046 0.03 . 101 . 16 VAL CG2 C 21.353 0.6 . 102 . 16 VAL HG2 H 0.992 0.03 . 103 . 16 VAL C C 178.066 0.6 . 104 . 17 ILE N N 120.084 0.4 . 105 . 17 ILE H H 7.707 0.03 . 106 . 17 ILE CA C 65.087 0.6 . 107 . 17 ILE HA H 3.765 0.03 . 108 . 17 ILE CB C 37.595 0.6 . 109 . 17 ILE HB H 1.918 0.03 . 110 . 17 ILE CG1 C 28.890 0.6 . 111 . 17 ILE HG12 H 1.186 0.03 . 112 . 17 ILE CG2 C 18.709 0.6 . 113 . 17 ILE HG2 H 0.922 0.03 . 114 . 17 ILE CD1 C 13.313 0.6 . 115 . 17 ILE HD1 H 0.839 0.03 . 116 . 17 ILE C C 178.478 0.6 . 117 . 18 GLU N N 117.721 0.4 . 118 . 18 GLU H H 8.613 0.03 . 119 . 18 GLU CA C 60.592 0.6 . 120 . 18 GLU HA H 3.825 0.03 . 121 . 18 GLU CB C 29.279 0.6 . 122 . 18 GLU HB2 H 2.083 0.03 . 123 . 18 GLU HB3 H 2.012 0.03 . 124 . 18 GLU CG C 37.618 0.6 . 125 . 18 GLU HG2 H 2.623 0.03 . 126 . 18 GLU HG3 H 2.358 0.03 . 127 . 18 GLU C C 178.723 0.6 . 128 . 19 HIS N N 117.599 0.4 . 129 . 19 HIS H H 7.988 0.03 . 130 . 19 HIS CA C 59.724 0.6 . 131 . 19 HIS HA H 4.264 0.03 . 132 . 19 HIS CB C 28.855 0.6 . 133 . 19 HIS HB2 H 3.395 0.03 . 134 . 19 HIS HB3 H 3.315 0.03 . 135 . 19 HIS CD2 C 120.046 0.6 . 136 . 19 HIS HD2 H 7.178 0.03 . 137 . 19 HIS CE1 C 137.229 0.6 . 138 . 19 HIS HE1 H 8.219 0.03 . 139 . 19 HIS C C 177.995 0.6 . 140 . 20 ASN N N 120.179 0.4 . 141 . 20 ASN H H 8.537 0.03 . 142 . 20 ASN CA C 55.447 0.6 . 143 . 20 ASN HA H 4.461 0.03 . 144 . 20 ASN CB C 37.520 0.6 . 145 . 20 ASN HB2 H 2.973 0.03 . 146 . 20 ASN HB3 H 2.718 0.03 . 147 . 20 ASN ND2 N 112.190 0.4 . 148 . 20 ASN HD21 H 6.987 0.03 . 149 . 20 ASN HD22 H 7.667 0.03 . 150 . 20 ASN C C 178.159 0.6 . 151 . 21 LEU N N 126.494 0.4 . 152 . 21 LEU H H 8.938 0.03 . 153 . 21 LEU CA C 59.286 0.6 . 154 . 21 LEU HA H 3.966 0.03 . 155 . 21 LEU CB C 41.624 0.6 . 156 . 21 LEU HB2 H 1.833 0.03 . 157 . 21 LEU CG C 29.284 0.6 . 158 . 21 LEU HG H 1.754 0.03 . 159 . 21 LEU CD1 C 25.764 0.6 . 160 . 21 LEU HD1 H 0.982 0.03 . 161 . 21 LEU CD2 C 25.764 0.6 . 162 . 21 LEU HD2 H 0.982 0.03 . 163 . 21 LEU C C 178.247 0.6 . 164 . 22 LEU N N 119.763 0.4 . 165 . 22 LEU H H 8.364 0.03 . 166 . 22 LEU CA C 57.796 0.6 . 167 . 22 LEU HA H 3.933 0.03 . 168 . 22 LEU CB C 41.023 0.6 . 169 . 22 LEU HB2 H 1.511 0.03 . 170 . 22 LEU HB3 H 1.830 0.03 . 171 . 22 LEU CG C 27.134 0.6 . 172 . 22 LEU HG H 1.675 0.03 . 173 . 22 LEU CD1 C 23.457 0.6 . 174 . 22 LEU HD1 H 0.892 0.03 . 175 . 22 LEU CD2 C 24.661 0.6 . 176 . 22 LEU HD2 H 0.886 0.03 . 177 . 22 LEU C C 171.249 0.6 . 178 . 23 SER N N 116.567 0.4 . 179 . 23 SER H H 8.165 0.03 . 180 . 23 SER CA C 62.328 0.6 . 181 . 23 SER HA H 4.064 0.03 . 182 . 23 SER CB C 62.328 0.6 . 183 . 23 SER HB2 H 3.928 0.03 . 184 . 23 SER HB3 H 3.851 0.03 . 185 . 23 SER C C 176.774 0.6 . 186 . 24 ALA N N 124.734 0.4 . 187 . 24 ALA H H 7.875 0.03 . 188 . 24 ALA CA C 55.114 0.6 . 189 . 24 ALA HA H 4.104 0.03 . 190 . 24 ALA CB C 16.843 0.6 . 191 . 24 ALA HB H 1.467 0.03 . 192 . 24 ALA C C 179.307 0.6 . 193 . 25 SER N N 113.344 0.4 . 194 . 25 SER H H 7.829 0.03 . 195 . 25 SER CA C 60.236 0.6 . 196 . 25 SER HA H 2.550 0.03 . 197 . 25 SER CB C 63.463 0.6 . 198 . 25 SER HB2 H 3.377 0.03 . 199 . 25 SER C C 173.788 0.6 . 200 . 26 LYS N N 117.698 0.4 . 201 . 26 LYS H H 6.834 0.03 . 202 . 26 LYS CA C 56.160 0.6 . 203 . 26 LYS HA H 4.250 0.03 . 204 . 26 LYS CB C 32.640 0.6 . 205 . 26 LYS HB2 H 1.934 0.03 . 206 . 26 LYS HB3 H 1.683 0.03 . 207 . 26 LYS CG C 24.847 0.6 . 208 . 26 LYS HG2 H 1.491 0.03 . 209 . 26 LYS HG3 H 1.416 0.03 . 210 . 26 LYS CD C 28.435 0.6 . 211 . 26 LYS HD2 H 1.601 0.03 . 212 . 26 LYS CE C 41.940 0.6 . 213 . 26 LYS HE2 H 2.901 0.03 . 214 . 26 LYS C C 177.210 0.6 . 215 . 27 LEU N N 118.986 0.4 . 216 . 27 LEU H H 7.492 0.03 . 217 . 27 LEU CA C 55.178 0.6 . 218 . 27 LEU HA H 4.206 0.03 . 219 . 27 LEU CB C 44.704 0.6 . 220 . 27 LEU HB2 H 1.436 0.03 . 221 . 27 LEU HB3 H 1.043 0.03 . 222 . 27 LEU CG C 26.465 0.6 . 223 . 27 LEU HG H 1.385 0.03 . 224 . 27 LEU CD1 C 24.745 0.6 . 225 . 27 LEU HD1 H 0.765 0.03 . 226 . 27 LEU CD2 C 22.636 0.6 . 227 . 27 LEU HD2 H 0.681 0.03 . 228 . 27 LEU C C 176.192 0.6 . 229 . 28 TYR N N 116.824 0.4 . 230 . 28 TYR H H 7.402 0.03 . 231 . 28 TYR CA C 56.613 0.6 . 232 . 28 TYR HA H 4.720 0.03 . 233 . 28 TYR CB C 41.036 0.6 . 234 . 28 TYR HB2 H 2.550 0.03 . 235 . 28 TYR HB3 H 3.086 0.03 . 236 . 28 TYR CD1 C 133.264 0.6 . 237 . 28 TYR HD1 H 7.304 0.03 . 238 . 28 TYR CD2 C 133.264 0.6 . 239 . 28 TYR CE1 C 117.843 0.6 . 240 . 28 TYR HE1 H 6.748 0.03 . 241 . 28 TYR CE2 C 117.843 0.6 . 242 . 28 TYR C C 174.600 0.6 . 243 . 29 ASN N N 117.991 0.4 . 244 . 29 ASN H H 8.914 0.03 . 245 . 29 ASN CA C 55.093 0.6 . 246 . 29 ASN HA H 4.939 0.03 . 247 . 29 ASN CB C 39.320 0.6 . 248 . 29 ASN HB2 H 2.932 0.03 . 249 . 29 ASN HB3 H 2.884 0.03 . 250 . 29 ASN ND2 N 113.068 0.4 . 251 . 29 ASN HD21 H 7.069 0.03 . 252 . 29 ASN HD22 H 7.775 0.03 . 253 . 30 ASN N N 114.058 0.4 . 254 . 30 ASN H H 7.966 0.03 . 255 . 30 ASN CA C 51.975 0.6 . 256 . 30 ASN HA H 5.107 0.03 . 257 . 30 ASN CB C 40.568 0.6 . 258 . 30 ASN HB2 H 2.544 0.03 . 259 . 30 ASN HB3 H 2.051 0.03 . 260 . 30 ASN ND2 N 116.104 0.4 . 261 . 30 ASN HD21 H 6.970 0.03 . 262 . 30 ASN HD22 H 7.726 0.03 . 263 . 30 ASN C C 172.555 0.6 . 264 . 31 ILE N N 118.918 0.4 . 265 . 31 ILE H H 8.298 0.03 . 266 . 31 ILE CA C 60.535 0.6 . 267 . 31 ILE HA H 4.525 0.03 . 268 . 31 ILE CB C 41.510 0.6 . 269 . 31 ILE HB H 1.529 0.03 . 270 . 31 ILE CG1 C 28.473 0.6 . 271 . 31 ILE HG12 H 1.331 0.03 . 272 . 31 ILE HG13 H 1.468 0.03 . 273 . 31 ILE CG2 C 16.943 0.6 . 274 . 31 ILE HG2 H 0.626 0.03 . 275 . 31 ILE CD1 C 13.422 0.6 . 276 . 31 ILE HD1 H 0.130 0.03 . 277 . 31 ILE C C 172.663 0.6 . 278 . 32 THR N N 116.293 0.4 . 279 . 32 THR H H 8.113 0.03 . 280 . 32 THR CA C 60.769 0.6 . 281 . 32 THR HA H 4.745 0.03 . 282 . 32 THR CB C 70.988 0.6 . 283 . 32 THR HB H 4.735 0.03 . 284 . 32 THR CG2 C 21.678 0.6 . 285 . 32 THR HG2 H 1.243 0.03 . 286 . 32 THR C C 176.482 0.6 . 287 . 33 PHE N N 118.858 0.4 . 288 . 33 PHE H H 7.838 0.03 . 289 . 33 PHE CA C 60.223 0.6 . 290 . 33 PHE HA H 4.306 0.03 . 291 . 33 PHE CB C 37.014 0.6 . 292 . 33 PHE HB2 H 3.307 0.03 . 293 . 33 PHE HB3 H 3.042 0.03 . 294 . 33 PHE CD1 C 130.180 0.6 . 295 . 33 PHE HD1 H 6.981 0.03 . 296 . 33 PHE CD2 C 130.180 0.6 . 297 . 33 PHE CE1 C 131.061 0.6 . 298 . 33 PHE HE1 H 7.016 0.03 . 299 . 33 PHE CE2 C 131.061 0.6 . 300 . 33 PHE CZ C 129.299 0.6 . 301 . 33 PHE HZ H 6.915 0.03 . 302 . 33 PHE C C 178.476 0.6 . 303 . 34 GLU N N 117.963 0.4 . 304 . 34 GLU H H 8.696 0.03 . 305 . 34 GLU CA C 59.931 0.6 . 306 . 34 GLU HA H 4.067 0.03 . 307 . 34 GLU CB C 29.342 0.6 . 308 . 34 GLU HB2 H 2.073 0.03 . 309 . 34 GLU HB3 H 2.017 0.03 . 310 . 34 GLU CG C 36.332 0.6 . 311 . 34 GLU HG2 H 2.333 0.03 . 312 . 34 GLU C C 179.555 0.6 . 313 . 35 GLU N N 121.173 0.4 . 314 . 35 GLU H H 7.968 0.03 . 315 . 35 GLU CA C 59.247 0.6 . 316 . 35 GLU HA H 4.028 0.03 . 317 . 35 GLU CB C 29.709 0.6 . 318 . 35 GLU HB2 H 1.856 0.03 . 319 . 35 GLU HB3 H 2.140 0.03 . 320 . 35 GLU CG C 37.205 0.6 . 321 . 35 GLU HG2 H 2.204 0.03 . 322 . 35 GLU HG3 H 2.268 0.03 . 323 . 35 GLU C C 179.273 0.6 . 324 . 36 LEU N N 121.719 0.4 . 325 . 36 LEU H H 8.736 0.03 . 326 . 36 LEU CA C 57.340 0.6 . 327 . 36 LEU HA H 4.001 0.03 . 328 . 36 LEU CB C 42.032 0.6 . 329 . 36 LEU HB2 H 1.822 0.03 . 330 . 36 LEU HB3 H 1.550 0.03 . 331 . 36 LEU CG C 26.601 0.6 . 332 . 36 LEU HG H 1.555 0.03 . 333 . 36 LEU CD1 C 25.292 0.6 . 334 . 36 LEU HD1 H 0.813 0.03 . 335 . 36 LEU CD2 C 22.600 0.6 . 336 . 36 LEU HD2 H 0.916 0.03 . 337 . 36 LEU C C 178.351 0.6 . 338 . 37 GLY N N 106.678 0.4 . 339 . 37 GLY H H 8.814 0.03 . 340 . 37 GLY CA C 47.789 0.6 . 341 . 37 GLY HA2 H 3.596 0.03 . 342 . 37 GLY HA3 H 3.648 0.03 . 343 . 37 GLY C C 175.611 0.6 . 344 . 38 ALA N N 122.876 0.4 . 345 . 38 ALA H H 7.631 0.03 . 346 . 38 ALA CA C 55.203 0.6 . 347 . 38 ALA HA H 4.151 0.03 . 348 . 38 ALA CB C 17.674 0.6 . 349 . 38 ALA HB H 1.495 0.03 . 350 . 38 ALA C C 170.321 0.6 . 351 . 39 LEU N N 119.045 0.4 . 352 . 39 LEU H H 7.875 0.03 . 353 . 39 LEU CA C 57.847 0.6 . 354 . 39 LEU HA H 4.119 0.03 . 355 . 39 LEU CB C 42.940 0.6 . 356 . 39 LEU HB2 H 1.741 0.03 . 357 . 39 LEU HB3 H 1.814 0.03 . 358 . 39 LEU CG C 26.639 0.6 . 359 . 39 LEU HG H 1.707 0.03 . 360 . 39 LEU CD1 C 24.892 0.6 . 361 . 39 LEU HD1 H 0.844 0.03 . 362 . 39 LEU CD2 C 24.878 0.6 . 363 . 39 LEU HD2 H 0.854 0.03 . 364 . 39 LEU C C 178.807 0.6 . 365 . 40 LEU N N 116.792 0.4 . 366 . 40 LEU H H 7.983 0.03 . 367 . 40 LEU CA C 54.805 0.6 . 368 . 40 LEU HA H 4.274 0.03 . 369 . 40 LEU CB C 42.836 0.6 . 370 . 40 LEU HB2 H 1.742 0.03 . 371 . 40 LEU HB3 H 1.632 0.03 . 372 . 40 LEU CG C 27.069 0.6 . 373 . 40 LEU HG H 1.906 0.03 . 374 . 40 LEU CD1 C 25.759 0.6 . 375 . 40 LEU HD1 H 0.769 0.03 . 376 . 40 LEU CD2 C 22.643 0.6 . 377 . 40 LEU HD2 H 0.797 0.03 . 378 . 40 LEU C C 174.877 0.6 . 379 . 41 GLU N N 116.212 0.4 . 380 . 41 GLU H H 7.956 0.03 . 381 . 41 GLU CA C 57.416 0.6 . 382 . 41 GLU HA H 3.847 0.03 . 383 . 41 GLU CB C 27.073 0.6 . 384 . 41 GLU HB2 H 2.142 0.03 . 385 . 41 GLU HB3 H 2.320 0.03 . 386 . 41 GLU CG C 36.862 0.6 . 387 . 41 GLU HG2 H 2.143 0.03 . 388 . 41 GLU C C 175.581 0.6 . 389 . 42 ILE N N 111.791 0.4 . 390 . 42 ILE H H 8.424 0.03 . 391 . 42 ILE CA C 58.531 0.6 . 392 . 42 ILE HA H 4.974 0.03 . 393 . 42 ILE CB C 39.771 0.6 . 394 . 42 ILE HB H 1.860 0.03 . 395 . 42 ILE CG1 C 24.072 0.6 . 396 . 42 ILE HG12 H 1.027 0.03 . 397 . 42 ILE HG13 H 1.360 0.03 . 398 . 42 ILE CG2 C 17.720 0.6 . 399 . 42 ILE HG2 H 0.901 0.03 . 400 . 42 ILE CD1 C 13.643 0.6 . 401 . 42 ILE HD1 H 0.599 0.03 . 402 . 43 PRO CA C 62.673 0.6 . 403 . 43 PRO HA H 4.412 0.03 . 404 . 43 PRO CB C 32.462 0.6 . 405 . 43 PRO HB2 H 1.745 0.03 . 406 . 43 PRO HB3 H 2.539 0.03 . 407 . 43 PRO CG C 28.349 0.6 . 408 . 43 PRO HG2 H 2.126 0.03 . 409 . 43 PRO HG3 H 2.024 0.03 . 410 . 43 PRO CD C 50.867 0.6 . 411 . 43 PRO HD2 H 3.918 0.03 . 412 . 43 PRO HD3 H 3.381 0.03 . 413 . 43 PRO C C 177.651 0.6 . 414 . 44 ALA N N 127.747 0.4 . 415 . 44 ALA H H 9.008 0.03 . 416 . 44 ALA CA C 55.754 0.6 . 417 . 44 ALA HA H 3.844 0.03 . 418 . 44 ALA CB C 18.547 0.6 . 419 . 44 ALA HB H 1.398 0.03 . 420 . 44 ALA C C 179.382 0.6 . 421 . 45 ALA N N 116.836 0.4 . 422 . 45 ALA H H 8.788 0.03 . 423 . 45 ALA CA C 54.812 0.6 . 424 . 45 ALA HA H 4.069 0.03 . 425 . 45 ALA CB C 18.629 0.6 . 426 . 45 ALA HB H 1.362 0.03 . 427 . 45 ALA C C 170.202 0.6 . 428 . 46 LYS N N 117.715 0.4 . 429 . 46 LYS H H 7.072 0.03 . 430 . 46 LYS CA C 57.932 0.6 . 431 . 46 LYS HA H 4.069 0.03 . 432 . 46 LYS CB C 32.241 0.6 . 433 . 46 LYS HB2 H 1.824 0.03 . 434 . 46 LYS HB3 H 1.896 0.03 . 435 . 46 LYS CG C 25.227 0.6 . 436 . 46 LYS HG2 H 1.505 0.03 . 437 . 46 LYS HG3 H 1.412 0.03 . 438 . 46 LYS CD C 28.933 0.6 . 439 . 46 LYS HD2 H 1.637 0.03 . 440 . 46 LYS HD3 H 1.670 0.03 . 441 . 46 LYS CE C 41.976 0.6 . 442 . 46 LYS HE2 H 2.918 0.03 . 443 . 46 LYS C C 177.527 0.6 . 444 . 47 ALA N N 121.931 0.4 . 445 . 47 ALA H H 7.939 0.03 . 446 . 47 ALA CA C 55.543 0.6 . 447 . 47 ALA HA H 3.710 0.03 . 448 . 47 ALA CB C 16.976 0.6 . 449 . 47 ALA HB H 1.317 0.03 . 450 . 47 ALA C C 178.032 0.6 . 451 . 48 GLU N N 116.319 0.4 . 452 . 48 GLU H H 7.865 0.03 . 453 . 48 GLU CA C 59.484 0.6 . 454 . 48 GLU HA H 3.038 0.03 . 455 . 48 GLU CB C 28.184 0.6 . 456 . 48 GLU HB2 H 0.530 0.03 . 457 . 48 GLU HB3 H 1.498 0.03 . 458 . 48 GLU CG C 34.805 0.6 . 459 . 48 GLU HG2 H 1.504 0.03 . 460 . 48 GLU HG3 H 1.357 0.03 . 461 . 48 GLU C C 177.596 0.6 . 462 . 49 LYS N N 119.078 0.4 . 463 . 49 LYS H H 7.177 0.03 . 464 . 49 LYS CA C 59.159 0.6 . 465 . 49 LYS HA H 3.860 0.03 . 466 . 49 LYS CB C 32.247 0.6 . 467 . 49 LYS HB2 H 1.859 0.03 . 468 . 49 LYS CG C 24.739 0.6 . 469 . 49 LYS HG2 H 1.403 0.03 . 470 . 49 LYS HG3 H 1.488 0.03 . 471 . 49 LYS CD C 28.785 0.6 . 472 . 49 LYS HD2 H 1.623 0.03 . 473 . 49 LYS CE C 41.980 0.6 . 474 . 49 LYS HE2 H 2.924 0.03 . 475 . 49 LYS C C 179.379 0.6 . 476 . 50 ILE N N 119.303 0.4 . 477 . 50 ILE H H 8.202 0.03 . 478 . 50 ILE CA C 64.783 0.6 . 479 . 50 ILE HA H 3.738 0.03 . 480 . 50 ILE CB C 37.597 0.6 . 481 . 50 ILE HB H 1.603 0.03 . 482 . 50 ILE CG1 C 28.833 0.6 . 483 . 50 ILE HG12 H 1.733 0.03 . 484 . 50 ILE HG13 H 1.034 0.03 . 485 . 50 ILE CG2 C 17.199 0.6 . 486 . 50 ILE HG2 H 0.843 0.03 . 487 . 50 ILE CD1 C 13.863 0.6 . 488 . 50 ILE HD1 H 0.751 0.03 . 489 . 50 ILE C C 177.925 0.6 . 490 . 51 ALA N N 121.530 0.4 . 491 . 51 ALA H H 8.347 0.03 . 492 . 51 ALA CA C 55.600 0.6 . 493 . 51 ALA HA H 3.916 0.03 . 494 . 51 ALA CB C 17.363 0.6 . 495 . 51 ALA HB H 1.331 0.03 . 496 . 51 ALA C C 178.721 0.6 . 497 . 52 SER N N 110.739 0.4 . 498 . 52 SER H H 8.380 0.03 . 499 . 52 SER CA C 61.815 0.6 . 500 . 52 SER HA H 4.011 0.03 . 501 . 52 SER CB C 62.807 0.6 . 502 . 52 SER HB2 H 3.937 0.03 . 503 . 52 SER C C 177.354 0.6 . 504 . 53 GLN N N 122.428 0.4 . 505 . 53 GLN H H 8.009 0.03 . 506 . 53 GLN CA C 59.174 0.6 . 507 . 53 GLN HA H 4.031 0.03 . 508 . 53 GLN CB C 27.814 0.6 . 509 . 53 GLN HB2 H 2.172 0.03 . 510 . 53 GLN HB3 H 2.063 0.03 . 511 . 53 GLN CG C 33.209 0.6 . 512 . 53 GLN HG2 H 2.269 0.03 . 513 . 53 GLN HG3 H 2.497 0.03 . 514 . 53 GLN NE2 N 111.500 0.4 . 515 . 53 GLN HE21 H 6.758 0.03 . 516 . 53 GLN HE22 H 7.809 0.03 . 517 . 53 GLN C C 177.843 0.6 . 518 . 54 MET N N 117.400 0.4 . 519 . 54 MET H H 8.336 0.03 . 520 . 54 MET CA C 60.139 0.6 . 521 . 54 MET HA H 3.866 0.03 . 522 . 54 MET CB C 34.439 0.6 . 523 . 54 MET HB2 H 1.920 0.03 . 524 . 54 MET HB3 H 2.210 0.03 . 525 . 54 MET CG C 33.226 0.6 . 526 . 54 MET HG2 H 2.833 0.03 . 527 . 54 MET HG3 H 2.301 0.03 . 528 . 54 MET CE C 17.830 0.6 . 529 . 54 MET HE H 2.045 0.03 . 530 . 54 MET C C 178.876 0.6 . 531 . 55 ILE N N 119.711 0.4 . 532 . 55 ILE H H 8.120 0.03 . 533 . 55 ILE CA C 64.832 0.6 . 534 . 55 ILE HA H 4.317 0.03 . 535 . 55 ILE CB C 38.657 0.6 . 536 . 55 ILE HB H 1.911 0.03 . 537 . 55 ILE CG1 C 29.518 0.6 . 538 . 55 ILE HG12 H 1.751 0.03 . 539 . 55 ILE HG13 H 0.780 0.03 . 540 . 55 ILE CG2 C 17.360 0.6 . 541 . 55 ILE HG2 H 1.040 0.03 . 542 . 55 ILE CD1 C 12.840 0.6 . 543 . 55 ILE HD1 H 0.585 0.03 . 544 . 55 ILE C C 170.293 0.6 . 545 . 56 THR N N 119.571 0.4 . 546 . 56 THR H H 8.706 0.03 . 547 . 56 THR CA C 66.829 0.6 . 548 . 56 THR HA H 4.021 0.03 . 549 . 56 THR CB C 68.917 0.6 . 550 . 56 THR HB H 4.355 0.03 . 551 . 56 THR CG2 C 21.575 0.6 . 552 . 56 THR HG2 H 1.331 0.03 . 553 . 56 THR C C 176.568 0.6 . 554 . 57 GLU N N 117.394 0.4 . 555 . 57 GLU H H 8.211 0.03 . 556 . 57 GLU CA C 56.666 0.6 . 557 . 57 GLU HA H 4.286 0.03 . 558 . 57 GLU CB C 30.115 0.6 . 559 . 57 GLU HB2 H 2.254 0.03 . 560 . 57 GLU HB3 H 2.000 0.03 . 561 . 57 GLU CG C 36.700 0.6 . 562 . 57 GLU HG2 H 2.613 0.03 . 563 . 57 GLU HG3 H 2.330 0.03 . 564 . 57 GLU C C 176.851 0.6 . 565 . 58 GLY N N 107.751 0.4 . 566 . 58 GLY H H 7.926 0.03 . 567 . 58 GLY CA C 46.006 0.6 . 568 . 58 GLY HA2 H 4.048 0.03 . 569 . 58 GLY HA3 H 4.167 0.03 . 570 . 58 GLY C C 175.024 0.6 . 571 . 59 ARG N N 117.811 0.4 . 572 . 59 ARG H H 8.431 0.03 . 573 . 59 ARG CA C 56.999 0.6 . 574 . 59 ARG HA H 4.331 0.03 . 575 . 59 ARG CB C 31.326 0.6 . 576 . 59 ARG HB2 H 1.959 0.03 . 577 . 59 ARG HB3 H 1.660 0.03 . 578 . 59 ARG CG C 28.395 0.6 . 579 . 59 ARG HG2 H 1.684 0.03 . 580 . 59 ARG HG3 H 1.576 0.03 . 581 . 59 ARG CD C 43.379 0.6 . 582 . 59 ARG HD2 H 3.340 0.03 . 583 . 59 ARG HD3 H 3.270 0.03 . 584 . 59 ARG HE H 7.286 0.03 . 585 . 59 ARG C C 174.706 0.6 . 586 . 60 MET N N 116.320 0.4 . 587 . 60 MET H H 7.285 0.03 . 588 . 60 MET CA C 54.785 0.6 . 589 . 60 MET HA H 4.427 0.03 . 590 . 60 MET CB C 37.628 0.6 . 591 . 60 MET HB2 H 1.927 0.03 . 592 . 60 MET HB3 H 1.783 0.03 . 593 . 60 MET CG C 31.283 0.6 . 594 . 60 MET HG2 H 2.476 0.03 . 595 . 60 MET HG3 H 2.433 0.03 . 596 . 60 MET CE C 17.830 0.6 . 597 . 60 MET HE H 2.045 0.03 . 598 . 61 ASN N N 123.059 0.4 . 599 . 61 ASN H H 8.842 0.03 . 600 . 61 ASN CA C 52.635 0.6 . 601 . 61 ASN HA H 5.079 0.03 . 602 . 61 ASN CB C 39.539 0.6 . 603 . 61 ASN HB2 H 2.872 0.03 . 604 . 61 ASN HB3 H 2.776 0.03 . 605 . 61 ASN ND2 N 112.924 0.4 . 606 . 61 ASN HD21 H 7.654 0.03 . 607 . 61 ASN HD22 H 6.966 0.03 . 608 . 61 ASN C C 173.968 0.6 . 609 . 62 GLY N N 108.710 0.4 . 610 . 62 GLY H H 8.039 0.03 . 611 . 62 GLY CA C 45.139 0.6 . 612 . 62 GLY HA2 H 4.714 0.03 . 613 . 62 GLY HA3 H 4.045 0.03 . 614 . 62 GLY C C 171.443 0.6 . 615 . 63 PHE N N 114.574 0.4 . 616 . 63 PHE H H 8.607 0.03 . 617 . 63 PHE CA C 56.674 0.6 . 618 . 63 PHE HA H 4.994 0.03 . 619 . 63 PHE CB C 41.168 0.6 . 620 . 63 PHE HB2 H 3.086 0.03 . 621 . 63 PHE HB3 H 3.142 0.03 . 622 . 63 PHE CD1 C 131.942 0.6 . 623 . 63 PHE HD1 H 7.020 0.03 . 624 . 63 PHE CD2 C 131.942 0.6 . 625 . 63 PHE CE1 C 129.299 0.6 . 626 . 63 PHE HE1 H 6.915 0.03 . 627 . 63 PHE CE2 C 129.299 0.6 . 628 . 63 PHE CZ C 131.061 0.6 . 629 . 63 PHE HZ H 7.081 0.03 . 630 . 63 PHE C C 172.710 0.6 . 631 . 64 ILE N N 122.365 0.4 . 632 . 64 ILE H H 8.804 0.03 . 633 . 64 ILE CA C 59.853 0.6 . 634 . 64 ILE HA H 4.434 0.03 . 635 . 64 ILE CB C 39.514 0.6 . 636 . 64 ILE HB H 1.861 0.03 . 637 . 64 ILE CG1 C 28.064 0.6 . 638 . 64 ILE HG12 H 1.560 0.03 . 639 . 64 ILE HG13 H 1.087 0.03 . 640 . 64 ILE CG2 C 17.384 0.6 . 641 . 64 ILE HG2 H 0.919 0.03 . 642 . 64 ILE CD1 C 12.981 0.6 . 643 . 64 ILE HD1 H 0.833 0.03 . 644 . 64 ILE C C 175.015 0.6 . 645 . 65 ASP N N 127.048 0.4 . 646 . 65 ASP H H 8.935 0.03 . 647 . 65 ASP CA C 52.258 0.6 . 648 . 65 ASP HA H 4.956 0.03 . 649 . 65 ASP CB C 41.615 0.6 . 650 . 65 ASP HB2 H 3.092 0.03 . 651 . 65 ASP HB3 H 2.617 0.03 . 652 . 65 ASP C C 176.494 0.6 . 653 . 66 GLN N N 124.330 0.4 . 654 . 66 GLN H H 9.014 0.03 . 655 . 66 GLN CA C 57.813 0.6 . 656 . 66 GLN HA H 4.140 0.03 . 657 . 66 GLN CB C 29.076 0.6 . 658 . 66 GLN HB2 H 2.061 0.03 . 659 . 66 GLN HB3 H 2.269 0.03 . 660 . 66 GLN CG C 34.079 0.6 . 661 . 66 GLN HG2 H 2.475 0.03 . 662 . 66 GLN NE2 N 112.190 0.4 . 663 . 66 GLN HE21 H 6.929 0.03 . 664 . 66 GLN HE22 H 7.702 0.03 . 665 . 66 GLN C C 177.195 0.6 . 666 . 67 ILE N N 120.842 0.4 . 667 . 67 ILE H H 8.326 0.03 . 668 . 67 ILE CA C 63.445 0.6 . 669 . 67 ILE HA H 3.881 0.03 . 670 . 67 ILE CB C 36.734 0.6 . 671 . 67 ILE HB H 2.145 0.03 . 672 . 67 ILE CG1 C 28.285 0.6 . 673 . 67 ILE HG12 H 1.576 0.03 . 674 . 67 ILE HG13 H 1.292 0.03 . 675 . 67 ILE CG2 C 16.984 0.6 . 676 . 67 ILE HG2 H 0.887 0.03 . 677 . 67 ILE CD1 C 11.717 0.6 . 678 . 67 ILE HD1 H 0.868 0.03 . 679 . 67 ILE C C 177.666 0.6 . 680 . 68 ASP N N 117.387 0.4 . 681 . 68 ASP H H 7.613 0.03 . 682 . 68 ASP CA C 54.217 0.6 . 683 . 68 ASP HA H 4.721 0.03 . 684 . 68 ASP CB C 41.265 0.6 . 685 . 68 ASP HB2 H 2.605 0.03 . 686 . 68 ASP HB3 H 2.368 0.03 . 687 . 68 ASP C C 176.571 0.6 . 688 . 69 GLY N N 110.462 0.4 . 689 . 69 GLY H H 7.584 0.03 . 690 . 69 GLY CA C 47.441 0.6 . 691 . 69 GLY HA2 H 3.575 0.03 . 692 . 69 GLY HA3 H 3.510 0.03 . 693 . 69 GLY C C 173.661 0.6 . 694 . 70 ILE N N 116.974 0.4 . 695 . 70 ILE H H 7.347 0.03 . 696 . 70 ILE CA C 59.229 0.6 . 697 . 70 ILE HA H 4.022 0.03 . 698 . 70 ILE CB C 43.318 0.6 . 699 . 70 ILE HB H 1.272 0.03 . 700 . 70 ILE CG1 C 27.536 0.6 . 701 . 70 ILE HG12 H 1.160 0.03 . 702 . 70 ILE HG13 H 0.552 0.03 . 703 . 70 ILE CG2 C 17.050 0.6 . 704 . 70 ILE HG2 H 0.141 0.03 . 705 . 70 ILE CD1 C 13.260 0.6 . 706 . 70 ILE HD1 H 0.652 0.03 . 707 . 70 ILE C C 174.158 0.6 . 708 . 71 VAL N N 124.676 0.4 . 709 . 71 VAL H H 8.477 0.03 . 710 . 71 VAL CA C 60.392 0.6 . 711 . 71 VAL HA H 4.087 0.03 . 712 . 71 VAL CB C 32.663 0.6 . 713 . 71 VAL HB H 1.520 0.03 . 714 . 71 VAL CG1 C 20.410 0.6 . 715 . 71 VAL HG1 H 0.081 0.03 . 716 . 71 VAL CG2 C 21.329 0.6 . 717 . 71 VAL HG2 H 0.471 0.03 . 718 . 71 VAL C C 172.831 0.6 . 719 . 72 HIS N N 125.091 0.4 . 720 . 72 HIS H H 8.573 0.03 . 721 . 72 HIS CA C 53.947 0.6 . 722 . 72 HIS HA H 4.499 0.03 . 723 . 72 HIS CB C 29.965 0.6 . 724 . 72 HIS HB2 H 2.617 0.03 . 725 . 72 HIS HB3 H 2.208 0.03 . 726 . 72 HIS CD2 C 119.165 0.6 . 727 . 72 HIS HD2 H 6.410 0.03 . 728 . 72 HIS CE1 C 136.348 0.6 . 729 . 72 HIS HE1 H 8.361 0.03 . 730 . 72 HIS C C 174.043 0.6 . 731 . 73 PHE N N 122.290 0.4 . 732 . 73 PHE H H 8.292 0.03 . 733 . 73 PHE CA C 56.961 0.6 . 734 . 73 PHE HA H 5.020 0.03 . 735 . 73 PHE CB C 39.780 0.6 . 736 . 73 PHE HB2 H 3.475 0.03 . 737 . 73 PHE HB3 H 3.050 0.03 . 738 . 73 PHE CD1 C 131.942 0.6 . 739 . 73 PHE HD1 H 7.243 0.03 . 740 . 73 PHE CD2 C 131.942 0.6 . 741 . 73 PHE CE1 C 130.180 0.6 . 742 . 73 PHE HE1 H 6.915 0.03 . 743 . 73 PHE CE2 C 130.180 0.6 . 744 . 73 PHE CZ C 127.536 0.6 . 745 . 73 PHE HZ H 6.694 0.03 . 746 . 73 PHE C C 175.812 0.6 . 747 . 74 GLU N N 120.958 0.4 . 748 . 74 GLU H H 8.321 0.03 . 749 . 74 GLU CA C 55.781 0.6 . 750 . 74 GLU HA H 4.558 0.03 . 751 . 74 GLU CB C 31.393 0.6 . 752 . 74 GLU HB2 H 2.115 0.03 . 753 . 74 GLU HB3 H 1.938 0.03 . 754 . 74 GLU CG C 36.328 0.6 . 755 . 74 GLU HG2 H 2.314 0.03 . 756 . 74 GLU C C 175.842 0.6 . 757 . 75 THR N N 116.556 0.4 . 758 . 75 THR H H 8.387 0.03 . 759 . 75 THR CA C 61.872 0.6 . 760 . 75 THR HA H 4.375 0.03 . 761 . 75 THR CB C 69.882 0.6 . 762 . 75 THR HB H 4.224 0.03 . 763 . 75 THR CG2 C 21.594 0.6 . 764 . 75 THR HG2 H 1.227 0.03 . 765 . 75 THR C C 174.564 0.6 . 766 . 76 ARG N N 124.158 0.4 . 767 . 76 ARG H H 8.533 0.03 . 768 . 76 ARG CA C 56.016 0.6 . 769 . 76 ARG HA H 4.327 0.03 . 770 . 76 ARG CB C 30.902 0.6 . 771 . 76 ARG HB2 H 1.681 0.03 . 772 . 76 ARG HB3 H 1.796 0.03 . 773 . 76 ARG CG C 27.080 0.6 . 774 . 76 ARG HG2 H 1.542 0.03 . 775 . 76 ARG CD C 43.367 0.6 . 776 . 76 ARG HD2 H 3.081 0.03 . 777 . 76 ARG C C 176.215 0.6 . 778 . 77 GLU N N 122.592 0.4 . 779 . 77 GLU H H 8.513 0.03 . 780 . 77 GLU CA C 56.466 0.6 . 781 . 77 GLU HA H 4.232 0.03 . 782 . 77 GLU CB C 30.244 0.6 . 783 . 77 GLU HB2 H 2.020 0.03 . 784 . 77 GLU HB3 H 1.908 0.03 . 785 . 77 GLU CG C 36.286 0.6 . 786 . 77 GLU HG2 H 2.254 0.03 . 787 . 77 GLU C C 176.200 0.6 . 788 . 78 ALA N N 125.583 0.4 . 789 . 78 ALA H H 8.378 0.03 . 790 . 78 ALA CA C 52.468 0.6 . 791 . 78 ALA HA H 4.325 0.03 . 792 . 78 ALA CB C 19.129 0.6 . 793 . 78 ALA HB H 1.393 0.03 . 794 . 78 ALA C C 177.669 0.6 . 795 . 79 SER N N 115.237 0.4 . 796 . 79 SER H H 8.276 0.03 . 797 . 79 SER CA C 58.164 0.6 . 798 . 79 SER HA H 4.476 0.03 . 799 . 79 SER CB C 64.043 0.6 . 800 . 79 SER HB2 H 3.871 0.03 . 801 . 79 SER C C 174.612 0.6 . 802 . 80 GLY N N 110.588 0.4 . 803 . 80 GLY H H 8.200 0.03 . 804 . 80 GLY CA C 44.599 0.6 . 805 . 80 GLY HA2 H 4.079 0.03 . 806 . 80 GLY HA3 H 4.156 0.03 . 807 . 81 PRO CA C 63.133 0.6 . 808 . 81 PRO HA H 4.478 0.03 . 809 . 81 PRO CB C 32.321 0.6 . 810 . 81 PRO HB2 H 2.291 0.03 . 811 . 81 PRO HB3 H 1.970 0.03 . 812 . 81 PRO CG C 26.976 0.6 . 813 . 81 PRO HG2 H 2.016 0.03 . 814 . 81 PRO CD C 49.910 0.6 . 815 . 81 PRO HD2 H 3.621 0.03 . 816 . 81 PRO C C 177.410 0.6 . 817 . 82 SER N N 116.445 0.4 . 818 . 82 SER H H 8.520 0.03 . 819 . 82 SER CA C 58.247 0.6 . 820 . 82 SER HA H 4.551 0.03 . 821 . 82 SER CB C 64.030 0.6 . 822 . 82 SER HB2 H 3.904 0.03 . 823 . 82 SER C C 174.801 0.6 . 824 . 83 SER N N 118.092 0.4 . 825 . 83 SER H H 8.564 0.03 . 826 . 83 SER CA C 58.327 0.6 . 827 . 83 SER HA H 4.492 0.03 . 828 . 83 SER CB C 64.060 0.6 . 829 . 83 SER HB2 H 3.880 0.03 . 830 . 83 SER C C 173.939 0.6 . 831 . 84 GLY N N 116.848 0.4 . 832 . 84 GLY H H 8.035 0.03 . 833 . 84 GLY CA C 46.128 0.6 . stop_ save_