data_5286 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical shift assigments for [13C,15N]CaM:CaMKIp complex ; _BMRB_accession_number 5286 _BMRB_flat_file_name bmr5286.str _Entry_type original _Submission_date 2002-02-12 _Accession_date 2002-02-13 _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 Kranz James K. . 2 Lee Eun K. . 3 Nairn Angus C. . 4 Wand A. Joshua . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 144 "13C chemical shifts" 430 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-06-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5227 'smMLCK:CaM complex (Calmodulin with different kinase recognition domain).' 5287 'CaM:CaMKI(1-320) complex.' stop_ _Original_release_date 2002-06-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Direct Test of the Reductionist Approach to Structural Studies of Calmodulin Activity: Relevance of Peptide Models of Target Proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21988207 _PubMed_ID 11904288 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kranz James K. . 2 Lee Eun K. . 3 Nairn Angus C. . 4 Wand A. Joshua . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 277 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16351 _Page_last 16354 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_CaM_CaMKIp _Saveframe_category molecular_system _Mol_system_name 'CaM:CaMKIp complex' _Abbreviation_common CaM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calmodulin $CaM 'CaM-dependent kinase I (299-320)' $CaMKIp stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CaM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calmodulin _Abbreviation_common CaM _Molecular_mass 16706 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS 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 17360 entity_2 90.91 22 100.00 100.00 4.15e-04 BMRB 5287 CaMKI 90.91 340 100.00 100.00 2.21e-04 BMRB 6798 "CaMKI peptide" 90.91 22 100.00 100.00 4.38e-04 BMRB 7018 "Cys-CaMKI peptide" 90.91 37 100.00 100.00 2.84e-04 PDB 1A06 "Calmodulin-Dependent Protein Kinase From Rat" 90.91 332 100.00 100.00 1.65e-04 PDB 1MXE "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" 86.36 25 100.00 100.00 2.36e-03 PDB 2L7L "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" 90.91 22 100.00 100.00 4.15e-04 PDB 4FG8 "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-315 In Complex With Atp" 72.73 315 100.00 100.00 1.05e-01 PDB 4FG9 "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-320 In Complex With Atp" 90.91 320 100.00 100.00 2.28e-04 PDB 4FGB "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I Apo Form" 90.91 320 100.00 100.00 2.28e-04 DBJ BAE22345 "unnamed protein product [Mus musculus]" 90.91 374 100.00 100.00 1.44e-04 DBJ BAE41623 "unnamed protein product [Mus musculus]" 90.91 216 100.00 100.00 6.20e-05 DBJ BAG37428 "unnamed protein product [Homo sapiens]" 90.91 370 100.00 100.00 1.43e-04 DBJ BAG70091 "calcium/calmodulin-dependent protein kinase I [Homo sapiens]" 90.91 370 100.00 100.00 1.43e-04 DBJ BAG70221 "calcium/calmodulin-dependent protein kinase I [Homo sapiens]" 90.91 370 100.00 100.00 1.43e-04 GB AAA66944 "CaM-like protein kinase [Rattus norvegicus]" 90.91 374 100.00 100.00 1.44e-04 GB AAA99458 "cam kinase I [Homo sapiens]" 90.91 370 100.00 100.00 1.43e-04 GB AAH14825 "Calcium/calmodulin-dependent protein kinase I [Mus musculus]" 90.91 374 100.00 100.00 1.44e-04 GB AAH71177 "Calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]" 90.91 374 100.00 100.00 1.44e-04 GB AAI06755 "Calcium/calmodulin-dependent protein kinase I [Homo sapiens]" 90.91 370 100.00 100.00 1.43e-04 PRF 2024225A "Ca/calmodulin protein kinase I" 90.91 374 100.00 100.00 1.44e-04 REF NP_001070336 "calcium/calmodulin-dependent protein kinase type 1 [Bos taurus]" 90.91 370 100.00 100.00 1.43e-04 REF NP_001177124 "calcium/calmodulin-dependent protein kinase type 1 [Sus scrofa]" 90.91 370 100.00 100.00 1.43e-04 REF NP_001244800 "calcium/calmodulin-dependent protein kinase type 1 [Macaca mulatta]" 90.91 370 100.00 100.00 1.43e-04 REF NP_003647 "calcium/calmodulin-dependent protein kinase type 1 [Homo sapiens]" 90.91 370 100.00 100.00 1.43e-04 REF NP_598687 "calcium/calmodulin-dependent protein kinase type 1 [Mus musculus]" 90.91 374 100.00 100.00 1.44e-04 SP Q14012 "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" 90.91 370 100.00 100.00 1.43e-04 SP Q63450 "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" 90.91 374 100.00 100.00 1.44e-04 SP Q91YS8 "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" 90.91 374 100.00 100.00 1.44e-04 TPG DAA17160 "TPA: calcium/calmodulin-dependent protein kinase type 1 [Bos taurus]" 90.91 370 100.00 100.00 1.43e-04 stop_ save_ save_CaMKIp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CaM-binding sequence(299-320) from CaMKI' _Abbreviation_common CaMKIp _Molecular_mass . _Mol_thiol_state 'not present' _Details ; 22 residue CaMKIp peptide is N-terminally acetylated and C-terminally amidated. ; _Residue_count 23 _Mol_residue_sequence ; XKSKWKQAFNATAVVRHMRK LQX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 299 AYA 2 300 LYS 3 301 SER 4 302 LYS 5 303 TRP 6 304 LYS 7 305 GLN 8 306 ALA 9 307 PHE 10 308 ASN 11 309 ALA 12 310 THR 13 311 ALA 14 312 VAL 15 313 VAL 16 314 ARG 17 315 HIS 18 316 MET 19 317 ARG 20 318 LYS 21 319 LEU 22 320 GLN 23 321 NH2 stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT Q63450 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' 90.91 374 100.00 100.00 7.38e-04 SWISS-PROT Q91YS8 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' 90.91 374 100.00 100.00 7.38e-04 REF XP_001095449 'PREDICTED: calcium/calmodulin-dependent protein kinase I [Macaca mulatta]' 90.91 370 100.00 100.00 7.38e-04 SWISS-PROT Q14012 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' 90.91 370 100.00 100.00 7.38e-04 REF NP_598687 'calcium/calmodulin-dependent protein kinase I [Mus musculus]' 90.91 374 100.00 100.00 7.38e-04 REF NP_604463 'calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]' 90.91 374 100.00 100.00 7.38e-04 REF NP_001070336 'calcium/calmodulin-dependent protein kinase I [Bos taurus]' 90.91 370 100.00 100.00 7.38e-04 REF NP_003647 'calcium/calmodulin-dependent protein kinase I [Homo sapiens]' 90.91 370 100.00 100.00 7.38e-04 GenBank AAI06755 'Calcium/calmodulin-dependent protein kinase I [Homo sapiens]' 90.91 370 100.00 100.00 7.38e-04 PRF 2024225A 'Ca/calmodulin protein kinase I' 90.91 374 100.00 100.00 7.38e-04 GenBank AAH14825 'Calcium/calmodulin-dependent protein kinase I [Mus musculus]' 90.91 374 100.00 100.00 7.38e-04 GenBank AAH71177 'Calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]' 90.91 374 100.00 100.00 7.38e-04 GenBank AAA66944 'CaM-like protein kinase' 90.91 374 100.00 100.00 7.38e-04 GenBank AAA99458 'cam kinase I' 90.91 370 100.00 100.00 7.38e-04 DBJ BAE41623 'unnamed protein product [Mus musculus]' 90.91 216 100.00 100.00 7.38e-04 DBJ BAG37428 'unnamed protein product [Homo sapiens]' 90.91 370 100.00 100.00 7.38e-04 PDB 1MXE 'Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki' 86.36 25 100.00 100.00 5.61e-02 DBJ BAE22345 'unnamed protein product [Mus musculus]' 90.91 374 100.00 100.00 7.38e-04 BMRB 5287 'Ca2+/CaM-dependent (rat) protein kinase I' 90.91 340 100.00 100.00 1.15e-03 PDB 1A06 'Calmodulin-Dependent Protein Kinase From Rat' 90.91 332 100.00 100.00 9.17e-04 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_AYA _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common N-ACETYLALANINE _BMRB_code . _PDB_code AYA _Standard_residue_derivative . _Molecular_mass 131.130 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:34:22 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CT CT C . 0 . ? OT OT O . 0 . ? CM CM C . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HM1 HM1 H . 0 . ? HM2 HM2 H . 0 . ? HM3 HM3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N CT ? ? SING N H ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB HB1 ? ? SING CB HB2 ? ? SING CB HB3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB CT OT ? ? SING CT CM ? ? SING CM HM1 ? ? SING CM HM2 ? ? SING CM HM3 ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'AMINO GROUP' _BMRB_code . _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:42:14 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CaM Chicken 9031 Eukaryota Metazoa Gallus gallus $CaMKIp rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $CaM 'recombinant technology' . . . . . $CaMKIp 'chemical 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 $CaM 2 mM '[U-99% 13C; U-99% 15N]' $CaMKIp 2.25 mM . stop_ save_ ############################ # Computer software used # ############################ save_felix _Saveframe_category software _Name felix _Version 97.0 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-HSQC _Sample_label $sample_1 save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 303 0.5 K 'ionic strength' 0.16 0.01 M 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name calmodulin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 ASP C C 175.696 0.150 1 2 . 2 ASP CA C 54.993 0.410 1 3 . 2 ASP CB C 41.539 0.410 1 4 . 3 GLN H H 8.373 0.037 1 5 . 3 GLN C C 175.832 0.150 1 6 . 3 GLN CA C 55.783 0.410 1 7 . 3 GLN CB C 30.202 0.410 1 8 . 3 GLN N N 119.912 0.290 1 9 . 4 LEU H H 8.317 0.038 1 10 . 4 LEU C C 177.700 0.150 1 11 . 4 LEU CA C 54.442 0.410 1 12 . 4 LEU CB C 43.901 0.410 1 13 . 4 LEU N N 122.911 0.302 1 14 . 5 THR H H 8.767 0.046 1 15 . 5 THR C C 175.650 0.150 1 16 . 5 THR CA C 60.557 0.410 1 17 . 5 THR CB C 71.413 0.410 1 18 . 5 THR N N 113.052 0.324 1 19 . 6 GLU H H 9.071 0.041 1 20 . 6 GLU C C 179.689 0.150 1 21 . 6 GLU CA C 60.325 0.410 1 22 . 6 GLU CB C 29.415 0.410 1 23 . 6 GLU N N 120.689 0.281 1 24 . 7 GLU H H 8.749 0.040 1 25 . 7 GLU C C 179.640 0.150 1 26 . 7 GLU CA C 60.229 0.410 1 27 . 7 GLU CB C 29.200 0.410 1 28 . 7 GLU N N 119.558 0.269 1 29 . 8 GLN H H 7.748 0.046 1 30 . 8 GLN C C 177.549 0.150 1 31 . 8 GLN CA C 58.846 0.410 1 32 . 8 GLN CB C 29.088 0.410 1 33 . 8 GLN N N 121.319 0.292 1 34 . 9 ILE H H 8.345 0.044 1 35 . 9 ILE C C 177.986 0.150 1 36 . 9 ILE CA C 66.892 0.410 1 37 . 9 ILE CB C 38.239 0.410 1 38 . 9 ILE N N 119.426 0.301 1 39 . 10 ALA H H 7.977 0.042 1 40 . 10 ALA C C 180.968 0.150 1 41 . 10 ALA CA C 55.569 0.410 1 42 . 10 ALA CB C 18.190 0.410 1 43 . 10 ALA N N 121.045 0.435 1 44 . 11 GLU H H 7.854 0.043 1 45 . 11 GLU C C 181.103 0.150 1 46 . 11 GLU CA C 59.653 0.410 1 47 . 11 GLU CB C 29.635 0.410 1 48 . 11 GLU N N 120.465 0.290 1 49 . 12 PHE H H 9.047 0.041 1 50 . 12 PHE C C 178.869 0.150 1 51 . 12 PHE CA C 57.846 0.410 1 52 . 12 PHE CB C 36.549 0.410 1 53 . 12 PHE N N 122.044 0.282 1 54 . 13 LYS H H 9.348 0.040 1 55 . 13 LYS C C 179.396 0.150 1 56 . 13 LYS CA C 60.231 0.410 1 57 . 13 LYS CB C 31.906 0.410 1 58 . 13 LYS N N 125.228 0.293 1 59 . 14 GLU H H 7.863 0.036 1 60 . 14 GLU C C 180.361 0.150 1 61 . 14 GLU CA C 59.658 0.410 1 62 . 14 GLU CB C 29.313 0.410 1 63 . 14 GLU N N 119.688 0.264 1 64 . 15 ALA H H 8.100 0.043 1 65 . 15 ALA C C 178.665 0.150 1 66 . 15 ALA CA C 55.780 0.410 1 67 . 15 ALA CB C 18.203 0.410 1 68 . 15 ALA N N 122.791 0.275 1 69 . 16 PHE H H 8.822 0.044 1 70 . 16 PHE C C 177.936 0.150 1 71 . 16 PHE CA C 62.253 0.410 1 72 . 16 PHE CB C 39.952 0.410 1 73 . 16 PHE N N 119.651 0.285 1 74 . 17 SER H H 8.210 0.040 1 75 . 17 SER C C 174.632 0.150 1 76 . 17 SER CA C 61.691 0.410 1 77 . 17 SER CB C 63.401 0.410 1 78 . 17 SER N N 113.409 0.280 1 79 . 18 LEU H H 7.315 0.041 1 80 . 18 LEU C C 177.660 0.150 1 81 . 18 LEU CA C 57.608 0.410 1 82 . 18 LEU CB C 41.863 0.410 1 83 . 18 LEU N N 119.934 0.274 1 84 . 19 PHE H H 7.171 0.044 1 85 . 19 PHE C C 176.698 0.150 1 86 . 19 PHE CA C 59.886 0.410 1 87 . 19 PHE CB C 41.755 0.410 1 88 . 19 PHE N N 114.214 0.281 1 89 . 20 ASP H H 7.803 0.047 1 90 . 20 ASP C C 177.234 0.150 1 91 . 20 ASP CA C 52.516 0.410 1 92 . 20 ASP CB C 39.584 0.410 1 93 . 20 ASP N N 117.527 0.292 1 94 . 21 LYS H H 7.699 0.040 1 95 . 21 LYS C C 178.447 0.150 1 96 . 21 LYS CA C 58.410 0.410 1 97 . 21 LYS CB C 33.040 0.410 1 98 . 21 LYS N N 124.206 0.274 1 99 . 22 ASP H H 8.076 0.041 1 100 . 22 ASP C C 177.852 0.150 1 101 . 22 ASP CA C 52.972 0.410 1 102 . 22 ASP CB C 39.723 0.410 1 103 . 22 ASP N N 114.252 0.290 1 104 . 23 GLY H H 7.740 0.042 1 105 . 23 GLY C C 175.405 0.150 1 106 . 23 GLY CA C 47.431 0.410 1 107 . 23 GLY N N 109.650 0.291 1 108 . 24 ASP H H 8.526 0.042 1 109 . 24 ASP C C 177.552 0.150 1 110 . 24 ASP CA C 53.872 0.410 1 111 . 24 ASP CB C 40.725 0.410 1 112 . 24 ASP N N 121.256 0.306 1 113 . 25 GLY H H 10.617 0.047 1 114 . 25 GLY C C 174.057 0.150 1 115 . 25 GLY CA C 45.602 0.410 1 116 . 25 GLY N N 113.070 0.284 1 117 . 26 THR H H 8.243 0.042 1 118 . 26 THR C C 173.455 0.150 1 119 . 26 THR CA C 59.762 0.410 1 120 . 26 THR CB C 73.008 0.410 1 121 . 26 THR N N 112.165 0.304 1 122 . 27 ILE H H 9.920 0.047 1 123 . 27 ILE C C 176.331 0.150 1 124 . 27 ILE CA C 61.122 0.410 1 125 . 27 ILE CB C 40.273 0.410 1 126 . 27 ILE N N 126.644 0.288 1 127 . 28 THR H H 8.545 0.050 1 128 . 28 THR C C 176.916 0.150 1 129 . 28 THR CA C 59.655 0.410 1 130 . 28 THR CB C 72.776 0.410 1 131 . 28 THR N N 116.860 0.337 1 132 . 29 THR H H 9.316 0.043 1 133 . 29 THR C C 177.559 0.150 1 134 . 29 THR CA C 66.433 0.410 1 135 . 29 THR CB C 67.912 0.410 1 136 . 29 THR N N 112.468 0.288 1 137 . 30 LYS H H 7.602 0.043 1 138 . 30 LYS C C 180.168 0.150 1 139 . 30 LYS CA C 59.322 0.410 1 140 . 30 LYS CB C 32.799 0.410 1 141 . 30 LYS N N 121.364 0.294 1 142 . 31 GLU H H 7.805 0.047 1 143 . 31 GLU C C 179.507 0.150 1 144 . 31 GLU CA C 59.656 0.410 1 145 . 31 GLU CB C 29.866 0.410 1 146 . 31 GLU N N 122.385 0.297 1 147 . 32 LEU H H 8.776 0.043 1 148 . 32 LEU C C 179.104 0.150 1 149 . 32 LEU CA C 58.516 0.410 1 150 . 32 LEU CB C 42.787 0.410 1 151 . 32 LEU N N 120.653 0.291 1 152 . 33 GLY H H 8.910 0.043 1 153 . 33 GLY C C 175.261 0.150 1 154 . 33 GLY CA C 48.544 0.410 1 155 . 33 GLY N N 106.036 0.297 1 156 . 34 THR H H 8.105 0.042 1 157 . 34 THR C C 177.043 0.150 1 158 . 34 THR CA C 67.345 0.410 1 159 . 34 THR CB C 68.939 0.410 1 160 . 34 THR N N 118.388 0.313 1 161 . 35 VAL H H 7.522 0.043 1 162 . 35 VAL C C 178.487 0.150 1 163 . 35 VAL CA C 66.789 0.410 1 164 . 35 VAL CB C 31.569 0.410 1 165 . 35 VAL N N 122.174 0.277 1 166 . 36 MET H H 8.472 0.039 1 167 . 36 MET C C 178.638 0.150 1 168 . 36 MET CA C 61.358 0.410 1 169 . 36 MET CB C 32.239 0.410 1 170 . 36 MET N N 117.745 0.310 1 171 . 37 ARG H H 8.664 0.044 1 172 . 37 ARG C C 181.516 0.150 1 173 . 37 ARG CA C 59.304 0.410 1 174 . 37 ARG CB C 30.447 0.410 1 175 . 37 ARG N N 118.986 0.307 1 176 . 38 SER H H 8.100 0.042 1 177 . 38 SER C C 174.758 0.150 1 178 . 38 SER CA C 62.142 0.410 1 179 . 38 SER CB C 63.055 0.410 1 180 . 38 SER N N 119.334 0.311 1 181 . 39 LEU H H 7.371 0.043 1 182 . 39 LEU C C 177.374 0.150 1 183 . 39 LEU CA C 54.223 0.410 1 184 . 39 LEU CB C 41.875 0.410 1 185 . 39 LEU N N 119.242 0.285 1 186 . 40 GLY H H 7.825 0.041 1 187 . 40 GLY C C 174.580 0.150 1 188 . 40 GLY CA C 46.064 0.410 1 189 . 40 GLY N N 106.941 0.298 1 190 . 41 GLN H H 8.049 0.048 1 191 . 41 GLN C C 174.299 0.150 1 192 . 41 GLN CA C 54.418 0.410 1 193 . 41 GLN CB C 30.655 0.410 1 194 . 41 GLN N N 118.815 0.325 1 195 . 42 ASN H H 8.652 0.047 1 196 . 42 ASN C C 174.293 0.150 1 197 . 42 ASN CA C 51.396 0.410 1 198 . 42 ASN CB C 39.398 0.410 1 199 . 42 ASN N N 116.599 0.315 1 200 . 43 PRO C C 177.573 0.150 1 201 . 43 PRO CA C 62.480 0.410 1 202 . 43 PRO CB C 32.525 0.410 1 203 . 44 THR H H 8.812 0.050 1 204 . 44 THR C C 175.399 0.150 1 205 . 44 THR CA C 60.664 0.410 1 206 . 44 THR CB C 71.306 0.410 1 207 . 44 THR N N 112.942 0.336 1 208 . 45 GLU H H 8.847 0.040 1 209 . 45 GLU C C 179.047 0.150 1 210 . 45 GLU CA C 60.106 0.410 1 211 . 45 GLU CB C 29.194 0.410 1 212 . 45 GLU N N 120.992 0.291 1 213 . 46 ALA H H 8.302 0.041 1 214 . 46 ALA C C 180.492 0.150 1 215 . 46 ALA CA C 55.234 0.410 1 216 . 46 ALA CB C 18.444 0.410 1 217 . 46 ALA N N 121.003 0.287 1 218 . 47 GLU H H 7.709 0.044 1 219 . 47 GLU C C 179.553 0.150 1 220 . 47 GLU CA C 59.420 0.410 1 221 . 47 GLU CB C 30.108 0.410 1 222 . 47 GLU N N 118.736 0.308 1 223 . 48 LEU H H 8.218 0.040 1 224 . 48 LEU C C 178.910 0.150 1 225 . 48 LEU CA C 58.374 0.410 1 226 . 48 LEU CB C 43.111 0.410 1 227 . 48 LEU N N 119.761 0.248 1 228 . 49 GLN H H 8.171 0.037 1 229 . 49 GLN C C 178.575 0.150 1 230 . 49 GLN CA C 58.863 0.410 1 231 . 49 GLN CB C 28.616 0.410 1 232 . 49 GLN N N 118.156 0.284 1 233 . 50 ASP H H 8.086 0.040 1 234 . 50 ASP C C 179.152 0.150 1 235 . 50 ASP CA C 57.726 0.410 1 236 . 50 ASP CB C 40.628 0.410 1 237 . 50 ASP N N 120.567 0.299 1 238 . 51 MET H H 8.212 0.048 1 239 . 51 MET C C 178.265 0.150 1 240 . 51 MET CA C 60.098 0.410 1 241 . 51 MET CB C 34.267 0.410 1 242 . 51 MET N N 119.297 0.340 1 243 . 52 ILE H H 7.900 0.043 1 244 . 52 ILE C C 178.302 0.150 1 245 . 52 ILE CA C 65.073 0.410 1 246 . 52 ILE CB C 37.219 0.410 1 247 . 52 ILE N N 117.507 0.291 1 248 . 53 ASN H H 8.523 0.044 1 249 . 53 ASN C C 177.191 0.150 1 250 . 53 ASN CA C 56.235 0.410 1 251 . 53 ASN CB C 38.488 0.410 1 252 . 53 ASN N N 117.957 0.300 1 253 . 54 GLU H H 7.398 0.040 1 254 . 54 GLU C C 177.419 0.150 1 255 . 54 GLU CA C 58.275 0.410 1 256 . 54 GLU CB C 30.189 0.410 1 257 . 54 GLU N N 115.902 0.289 1 258 . 55 VAL H H 7.269 0.045 1 259 . 55 VAL C C 175.605 0.150 1 260 . 55 VAL CA C 61.450 0.410 1 261 . 55 VAL CB C 33.496 0.410 1 262 . 55 VAL N N 112.751 0.280 1 263 . 56 ASP H H 7.797 0.045 1 264 . 56 ASP C C 175.927 0.150 1 265 . 56 ASP CA C 53.867 0.410 1 266 . 56 ASP CB C 41.304 0.410 1 267 . 56 ASP N N 121.391 0.297 1 268 . 57 ALA H H 8.142 0.042 1 269 . 57 ALA C C 178.930 0.150 1 270 . 57 ALA CA C 54.438 0.410 1 271 . 57 ALA CB C 20.140 0.410 1 272 . 57 ALA N N 131.321 0.291 1 273 . 58 ASP H H 8.308 0.049 1 274 . 58 ASP C C 178.119 0.150 1 275 . 58 ASP CA C 52.980 0.410 1 276 . 58 ASP CB C 40.157 0.410 1 277 . 58 ASP N N 114.465 0.285 1 278 . 59 GLY H H 7.659 0.037 1 279 . 59 GLY C C 175.235 0.150 1 280 . 59 GLY CA C 47.429 0.410 1 281 . 59 GLY N N 108.966 0.277 1 282 . 60 ASN H H 8.240 0.050 1 283 . 60 ASN C C 177.006 0.150 1 284 . 60 ASN CA C 52.855 0.410 1 285 . 60 ASN CB C 37.683 0.410 1 286 . 60 ASN N N 119.123 0.380 1 287 . 61 GLY H H 10.556 0.045 1 288 . 61 GLY C C 173.503 0.150 1 289 . 61 GLY CA C 45.829 0.410 1 290 . 61 GLY N N 113.333 0.302 1 291 . 62 THR H H 7.691 0.043 1 292 . 62 THR C C 173.642 0.150 1 293 . 62 THR CA C 59.529 0.410 1 294 . 62 THR CB C 72.563 0.410 1 295 . 62 THR N N 108.653 0.360 1 296 . 63 ILE H H 8.748 0.045 1 297 . 63 ILE C C 175.827 0.150 1 298 . 63 ILE CA C 60.218 0.410 1 299 . 63 ILE CB C 40.278 0.410 1 300 . 63 ILE N N 123.293 0.306 1 301 . 64 ASP H H 9.179 0.047 1 302 . 64 ASP C C 176.352 0.150 1 303 . 64 ASP CA C 52.393 0.410 1 304 . 64 ASP CB C 42.439 0.410 1 305 . 64 ASP N N 129.102 0.320 1 306 . 65 PHE H H 9.075 0.043 1 307 . 65 PHE C C 174.188 0.150 1 308 . 65 PHE CA C 62.940 0.410 1 309 . 65 PHE CB C 36.106 0.410 1 310 . 65 PHE N N 118.990 0.309 1 311 . 66 PRO C C 180.200 0.150 1 312 . 66 PRO CA C 67.163 0.410 1 313 . 66 PRO CB C 30.947 0.410 1 314 . 67 GLU H H 8.437 0.048 1 315 . 67 GLU C C 179.887 0.150 1 316 . 67 GLU CA C 59.106 0.410 1 317 . 67 GLU CB C 29.772 0.410 1 318 . 67 GLU N N 118.184 0.277 1 319 . 68 PHE H H 8.870 0.046 1 320 . 68 PHE C C 177.148 0.150 1 321 . 68 PHE CA C 61.706 0.410 1 322 . 68 PHE CB C 40.964 0.410 1 323 . 68 PHE N N 124.702 0.274 1 324 . 69 LEU H H 9.010 0.042 1 325 . 69 LEU C C 179.244 0.150 1 326 . 69 LEU CA C 58.168 0.410 1 327 . 69 LEU CB C 41.524 0.410 1 328 . 69 LEU N N 120.082 0.268 1 329 . 70 THR H H 8.026 0.046 1 330 . 70 THR C C 176.481 0.150 1 331 . 70 THR CA C 67.013 0.410 1 332 . 70 THR CB C 68.703 0.410 1 333 . 70 THR N N 116.938 0.314 1 334 . 71 MET H H 7.599 0.042 1 335 . 71 MET C C 178.391 0.150 1 336 . 71 MET CA C 59.207 0.410 1 337 . 71 MET CB C 31.683 0.410 1 338 . 71 MET N N 121.930 0.293 1 339 . 72 MET H H 8.120 0.033 1 340 . 72 MET C C 178.878 0.150 1 341 . 72 MET CA C 56.316 0.410 1 342 . 72 MET CB C 30.751 0.410 1 343 . 72 MET N N 118.661 0.269 1 344 . 73 ALA H H 8.547 0.040 1 345 . 73 ALA C C 180.457 0.150 1 346 . 73 ALA CA C 55.234 0.410 1 347 . 73 ALA CB C 18.311 0.410 1 348 . 73 ALA N N 122.801 0.271 1 349 . 74 ARG H H 7.842 0.039 1 350 . 74 ARG C C 178.953 0.150 1 351 . 74 ARG CA C 59.085 0.410 1 352 . 74 ARG CB C 30.219 0.410 1 353 . 74 ARG N N 118.515 0.271 1 354 . 75 LYS H H 8.173 0.057 1 355 . 75 LYS C C 178.531 0.150 1 356 . 75 LYS CA C 59.194 0.410 1 357 . 75 LYS CB C 31.560 0.410 1 358 . 75 LYS N N 120.883 0.327 1 359 . 76 MET H H 7.762 0.040 1 360 . 76 MET C C 177.607 0.150 1 361 . 76 MET CA C 57.952 0.410 1 362 . 76 MET CB C 33.041 0.410 1 363 . 76 MET N N 116.959 0.297 1 364 . 77 LYS H H 7.435 0.044 1 365 . 77 LYS C C 177.491 0.150 1 366 . 77 LYS CA C 57.537 0.410 1 367 . 77 LYS CB C 33.025 0.410 1 368 . 77 LYS N N 117.463 0.272 1 369 . 78 ASP H H 7.814 0.051 1 370 . 78 ASP C C 176.616 0.150 1 371 . 78 ASP CA C 54.908 0.410 1 372 . 78 ASP CB C 42.198 0.410 1 373 . 78 ASP N N 118.486 0.305 1 374 . 79 THR H H 7.947 0.041 1 375 . 79 THR C C 173.931 0.150 1 376 . 79 THR CA C 62.720 0.410 1 377 . 79 THR CB C 70.511 0.410 1 378 . 79 THR N N 115.084 0.280 1 379 . 80 ASP H H 8.686 0.044 1 380 . 80 ASP C C 176.752 0.150 1 381 . 80 ASP CA C 53.767 0.410 1 382 . 80 ASP CB C 41.423 0.410 1 383 . 80 ASP N N 126.059 0.302 1 384 . 81 SER H H 8.618 0.042 1 385 . 81 SER C C 176.293 0.150 1 386 . 81 SER CA C 61.444 0.410 1 387 . 81 SER CB C 63.374 0.410 1 388 . 81 SER N N 121.058 0.306 1 389 . 82 GLU H H 8.483 0.041 1 390 . 82 GLU C C 178.958 0.150 1 391 . 82 GLU CA C 60.086 0.410 1 392 . 82 GLU CB C 29.307 0.410 1 393 . 82 GLU N N 122.042 0.277 1 394 . 83 GLU H H 7.994 0.045 1 395 . 83 GLU C C 178.812 0.150 1 396 . 83 GLU CA C 59.436 0.410 1 397 . 83 GLU CB C 29.868 0.410 1 398 . 83 GLU N N 119.557 0.305 1 399 . 84 GLU H H 7.983 0.044 1 400 . 84 GLU C C 179.507 0.150 1 401 . 84 GLU CA C 60.212 0.410 1 402 . 84 GLU CB C 30.896 0.410 1 403 . 84 GLU N N 118.538 0.313 1 404 . 85 ILE H H 8.378 0.049 1 405 . 85 ILE C C 177.972 0.150 1 406 . 85 ILE CA C 66.543 0.410 1 407 . 85 ILE CB C 38.132 0.410 1 408 . 85 ILE N N 121.145 0.299 1 409 . 86 ARG H H 8.437 0.044 1 410 . 86 ARG C C 179.617 0.150 1 411 . 86 ARG CA C 60.538 0.410 1 412 . 86 ARG CB C 30.426 0.410 1 413 . 86 ARG N N 121.994 0.294 1 414 . 87 GLU H H 8.449 0.043 1 415 . 87 GLU C C 179.517 0.150 1 416 . 87 GLU CA C 59.308 0.410 1 417 . 87 GLU CB C 28.981 0.410 1 418 . 87 GLU N N 117.838 0.237 1 419 . 88 ALA H H 8.341 0.042 1 420 . 88 ALA C C 179.182 0.150 1 421 . 88 ALA CA C 55.675 0.410 1 422 . 88 ALA CB C 19.790 0.410 1 423 . 88 ALA N N 122.416 0.305 1 424 . 89 PHE H H 8.663 0.045 1 425 . 89 PHE C C 176.850 0.150 1 426 . 89 PHE CA C 62.920 0.410 1 427 . 89 PHE CB C 39.385 0.410 1 428 . 89 PHE N N 118.635 0.265 1 429 . 90 ARG H H 7.660 0.041 1 430 . 90 ARG C C 178.067 0.150 1 431 . 90 ARG CA C 58.857 0.410 1 432 . 90 ARG CB C 30.545 0.410 1 433 . 90 ARG N N 115.337 0.292 1 434 . 91 VAL H H 7.521 0.043 1 435 . 91 VAL C C 177.183 0.150 1 436 . 91 VAL CA C 65.864 0.410 1 437 . 91 VAL CB C 31.679 0.410 1 438 . 91 VAL N N 118.411 0.275 1 439 . 92 PHE H H 7.306 0.046 1 440 . 92 PHE C C 177.042 0.150 1 441 . 92 PHE CA C 60.011 0.410 1 442 . 92 PHE CB C 40.970 0.410 1 443 . 92 PHE N N 116.019 0.276 1 444 . 93 ASP H H 8.065 0.045 1 445 . 93 ASP C C 177.558 0.150 1 446 . 93 ASP CA C 52.389 0.410 1 447 . 93 ASP CB C 38.917 0.410 1 448 . 93 ASP N N 116.742 0.314 1 449 . 94 LYS H H 7.626 0.042 1 450 . 94 LYS C C 178.464 0.150 1 451 . 94 LYS CA C 59.206 0.410 1 452 . 94 LYS CB C 32.921 0.410 1 453 . 94 LYS N N 125.828 0.282 1 454 . 95 ASP H H 8.348 0.042 1 455 . 95 ASP C C 177.978 0.150 1 456 . 95 ASP CA C 53.308 0.410 1 457 . 95 ASP CB C 39.939 0.410 1 458 . 95 ASP N N 114.395 0.279 1 459 . 96 GLY H H 7.887 0.041 1 460 . 96 GLY C C 175.355 0.150 1 461 . 96 GLY CA C 47.308 0.410 1 462 . 96 GLY N N 109.628 0.290 1 463 . 97 ASN H H 8.453 0.040 1 464 . 97 ASN C C 176.247 0.150 1 465 . 97 ASN CA C 52.961 0.410 1 466 . 97 ASN CB C 38.469 0.410 1 467 . 97 ASN N N 120.101 0.282 1 468 . 98 GLY H H 10.712 0.044 1 469 . 98 GLY C C 172.978 0.150 1 470 . 98 GLY CA C 45.165 0.410 1 471 . 98 GLY N N 113.002 0.289 1 472 . 99 TYR H H 7.749 0.041 1 473 . 99 TYR C C 175.085 0.150 1 474 . 99 TYR CA C 56.373 0.410 1 475 . 99 TYR CB C 43.115 0.410 1 476 . 99 TYR N N 116.468 0.307 1 477 . 100 ILE H H 10.262 0.046 1 478 . 100 ILE C C 175.752 0.150 1 479 . 100 ILE CA C 61.473 0.410 1 480 . 100 ILE CB C 39.609 0.410 1 481 . 100 ILE N N 127.595 0.284 1 482 . 101 SER H H 9.079 0.047 1 483 . 101 SER C C 176.116 0.150 1 484 . 101 SER CA C 55.920 0.410 1 485 . 101 SER CB C 67.012 0.410 1 486 . 101 SER N N 124.275 0.321 1 487 . 102 ALA H H 9.412 0.041 1 488 . 102 ALA C C 179.509 0.150 1 489 . 102 ALA CA C 56.159 0.410 1 490 . 102 ALA CB C 18.211 0.410 1 491 . 102 ALA N N 123.390 0.294 1 492 . 103 ALA H H 8.309 0.048 1 493 . 103 ALA C C 181.652 0.150 1 494 . 103 ALA CA C 55.448 0.410 1 495 . 103 ALA CB C 18.660 0.410 1 496 . 103 ALA N N 118.776 0.303 1 497 . 104 GLU H H 7.990 0.048 1 498 . 104 GLU C C 179.560 0.150 1 499 . 104 GLU CA C 59.620 0.410 1 500 . 104 GLU CB C 29.196 0.410 1 501 . 104 GLU N N 120.717 0.191 1 502 . 105 LEU H H 8.566 0.044 1 503 . 105 LEU C C 178.447 0.150 1 504 . 105 LEU CA C 58.189 0.410 1 505 . 105 LEU CB C 42.429 0.410 1 506 . 105 LEU N N 121.551 0.304 1 507 . 106 ARG H H 8.819 0.044 1 508 . 106 ARG C C 178.999 0.150 1 509 . 106 ARG CA C 60.304 0.410 1 510 . 106 ARG CB C 30.563 0.410 1 511 . 106 ARG N N 118.522 0.294 1 512 . 107 HIS H H 8.061 0.048 1 513 . 107 HIS C C 177.378 0.150 1 514 . 107 HIS CA C 60.263 0.410 1 515 . 107 HIS CB C 30.554 0.410 1 516 . 107 HIS N N 119.959 0.321 1 517 . 108 VAL H H 7.979 0.050 1 518 . 108 VAL C C 177.970 0.150 1 519 . 108 VAL CA C 66.798 0.410 1 520 . 108 VAL CB C 32.227 0.410 1 521 . 108 VAL N N 119.128 0.330 1 522 . 109 MET H H 8.268 0.045 1 523 . 109 MET C C 179.227 0.150 1 524 . 109 MET CA C 57.175 0.410 1 525 . 109 MET CB C 29.755 0.410 1 526 . 109 MET N N 115.620 0.272 1 527 . 110 THR H H 8.449 0.041 1 528 . 110 THR C C 178.891 0.150 1 529 . 110 THR CA C 66.683 0.410 1 530 . 110 THR CB C 68.811 0.410 1 531 . 110 THR N N 116.015 0.278 1 532 . 111 ASN H H 8.115 0.041 1 533 . 111 ASN C C 177.281 0.150 1 534 . 111 ASN CA C 56.116 0.410 1 535 . 111 ASN CB C 37.575 0.410 1 536 . 111 ASN N N 123.857 0.286 1 537 . 112 LEU H H 7.862 0.039 1 538 . 112 LEU C C 176.670 0.150 1 539 . 112 LEU CA C 55.904 0.410 1 540 . 112 LEU CB C 42.664 0.410 1 541 . 112 LEU N N 118.565 0.220 1 542 . 113 GLY H H 7.790 0.042 1 543 . 113 GLY C C 174.382 0.150 1 544 . 113 GLY CA C 45.379 0.410 1 545 . 113 GLY N N 106.389 0.295 1 546 . 114 GLU H H 7.995 0.033 1 547 . 114 GLU C C 175.095 0.150 1 548 . 114 GLU CA C 54.993 0.410 1 549 . 114 GLU CB C 30.534 0.410 1 550 . 114 GLU N N 121.263 0.256 1 551 . 115 LYS H H 8.489 0.040 1 552 . 115 LYS C C 175.737 0.150 1 553 . 115 LYS CA C 55.790 0.410 1 554 . 115 LYS CB C 31.894 0.410 1 555 . 115 LYS N N 124.826 0.280 1 556 . 116 LEU H H 8.062 0.040 1 557 . 116 LEU C C 178.447 0.150 1 558 . 116 LEU CA C 54.208 0.410 1 559 . 116 LEU CB C 44.577 0.410 1 560 . 116 LEU N N 125.164 0.289 1 561 . 117 THR H H 9.267 0.046 1 562 . 117 THR C C 175.778 0.150 1 563 . 117 THR CA C 60.897 0.410 1 564 . 117 THR CB C 71.315 0.410 1 565 . 117 THR N N 114.928 0.314 1 566 . 118 ASP H H 8.960 0.041 1 567 . 118 ASP C C 178.905 0.150 1 568 . 118 ASP CA C 58.185 0.410 1 569 . 118 ASP CB C 39.830 0.410 1 570 . 118 ASP N N 121.388 0.286 1 571 . 119 GLU H H 8.686 0.044 1 572 . 119 GLU C C 179.318 0.150 1 573 . 119 GLU CA C 60.101 0.410 1 574 . 119 GLU CB C 29.299 0.410 1 575 . 119 GLU N N 119.630 0.279 1 576 . 120 GLU H H 7.791 0.047 1 577 . 120 GLU C C 180.222 0.150 1 578 . 120 GLU CA C 59.522 0.410 1 579 . 120 GLU CB C 31.107 0.410 1 580 . 120 GLU N N 120.853 0.319 1 581 . 121 VAL H H 8.088 0.042 1 582 . 121 VAL C C 177.665 0.150 1 583 . 121 VAL CA C 67.142 0.410 1 584 . 121 VAL CB C 31.676 0.410 1 585 . 121 VAL N N 121.562 0.267 1 586 . 122 ASP H H 8.099 0.062 1 587 . 122 ASP C C 179.223 0.150 1 588 . 122 ASP CA C 57.844 0.410 1 589 . 122 ASP CB C 40.827 0.410 1 590 . 122 ASP N N 120.068 0.316 1 591 . 123 GLU H H 8.257 0.039 1 592 . 123 GLU C C 179.196 0.150 1 593 . 123 GLU CA C 59.635 0.410 1 594 . 123 GLU CB C 29.872 0.410 1 595 . 123 GLU N N 119.824 0.290 1 596 . 124 MET H H 7.897 0.042 1 597 . 124 MET C C 180.167 0.150 1 598 . 124 MET CA C 61.232 0.410 1 599 . 124 MET CB C 33.501 0.410 1 600 . 124 MET N N 118.975 0.314 1 601 . 125 ILE H H 8.209 0.054 1 602 . 125 ILE C C 177.838 0.150 1 603 . 125 ILE CA C 63.711 0.410 1 604 . 125 ILE CB C 36.092 0.410 1 605 . 125 ILE N N 120.715 0.287 1 606 . 126 ARG H H 8.726 0.043 1 607 . 126 ARG C C 178.823 0.150 1 608 . 126 ARG CA C 59.967 0.410 1 609 . 126 ARG CB C 30.665 0.410 1 610 . 126 ARG N N 118.794 0.282 1 611 . 127 GLU H H 7.963 0.043 1 612 . 127 GLU C C 176.772 0.150 1 613 . 127 GLU CA C 58.720 0.410 1 614 . 127 GLU CB C 30.213 0.410 1 615 . 127 GLU N N 116.745 0.289 1 616 . 128 ALA H H 7.131 0.044 1 617 . 128 ALA C C 177.880 0.150 1 618 . 128 ALA CA C 51.617 0.410 1 619 . 128 ALA CB C 22.165 0.410 1 620 . 128 ALA N N 116.849 0.273 1 621 . 129 ASP H H 8.117 0.050 1 622 . 129 ASP C C 175.937 0.150 1 623 . 129 ASP CA C 54.764 0.410 1 624 . 129 ASP CB C 41.073 0.410 1 625 . 129 ASP N N 118.199 0.315 1 626 . 130 ILE H H 8.333 0.043 1 627 . 130 ILE C C 178.032 0.150 1 628 . 130 ILE CA C 63.610 0.410 1 629 . 130 ILE CB C 39.038 0.410 1 630 . 130 ILE N N 128.173 0.274 1 631 . 131 ASP H H 8.414 0.042 1 632 . 131 ASP C C 178.453 0.150 1 633 . 131 ASP CA C 54.217 0.410 1 634 . 131 ASP CB C 40.164 0.410 1 635 . 131 ASP N N 117.046 0.293 1 636 . 132 GLY H H 7.694 0.034 1 637 . 132 GLY C C 175.541 0.150 1 638 . 132 GLY CA C 47.645 0.410 1 639 . 132 GLY N N 108.849 0.280 1 640 . 133 ASP H H 8.427 0.042 1 641 . 133 ASP C C 177.791 0.150 1 642 . 133 ASP CA C 53.876 0.410 1 643 . 133 ASP CB C 40.389 0.410 1 644 . 133 ASP N N 121.118 0.297 1 645 . 134 GLY H H 10.282 0.044 1 646 . 134 GLY C C 172.996 0.150 1 647 . 134 GLY CA C 46.147 0.410 1 648 . 134 GLY N N 112.807 0.302 1 649 . 135 GLN H H 8.063 0.041 1 650 . 135 GLN C C 175.264 0.150 1 651 . 135 GLN CA C 53.511 0.410 1 652 . 135 GLN CB C 32.702 0.410 1 653 . 135 GLN N N 115.443 0.327 1 654 . 136 VAL H H 9.184 0.046 1 655 . 136 VAL C C 176.104 0.150 1 656 . 136 VAL CA C 62.001 0.410 1 657 . 136 VAL CB C 34.170 0.410 1 658 . 136 VAL N N 125.725 0.289 1 659 . 137 ASN H H 9.660 0.045 1 660 . 137 ASN C C 174.958 0.150 1 661 . 137 ASN CA C 51.261 0.410 1 662 . 137 ASN CB C 38.794 0.410 1 663 . 137 ASN N N 129.518 0.312 1 664 . 138 TYR H H 8.337 0.038 1 665 . 138 TYR C C 176.348 0.150 1 666 . 138 TYR CA C 62.578 0.410 1 667 . 138 TYR CB C 38.695 0.410 1 668 . 138 TYR N N 118.905 0.225 1 669 . 139 GLU H H 8.130 0.041 1 670 . 139 GLU C C 180.395 0.150 1 671 . 139 GLU CA C 60.423 0.410 1 672 . 139 GLU CB C 29.066 0.410 1 673 . 139 GLU N N 118.774 0.320 1 674 . 140 GLU H H 8.782 0.043 1 675 . 140 GLU C C 179.562 0.150 1 676 . 140 GLU CA C 58.855 0.410 1 677 . 140 GLU CB C 29.631 0.410 1 678 . 140 GLU N N 120.182 0.291 1 679 . 141 PHE H H 8.548 0.043 1 680 . 141 PHE C C 176.757 0.150 1 681 . 141 PHE CA C 62.244 0.410 1 682 . 141 PHE CB C 40.398 0.410 1 683 . 141 PHE N N 124.244 0.276 1 684 . 142 VAL H H 8.736 0.033 1 685 . 142 VAL C C 179.638 0.150 1 686 . 142 VAL CA C 67.134 0.410 1 687 . 142 VAL CB C 31.697 0.410 1 688 . 142 VAL N N 119.377 0.234 1 689 . 143 GLN H H 7.875 0.036 1 690 . 143 GLN C C 178.022 0.150 1 691 . 143 GLN CA C 59.197 0.410 1 692 . 143 GLN CB C 28.280 0.410 1 693 . 143 GLN N N 119.539 0.287 1 694 . 144 MET H H 7.450 0.044 1 695 . 144 MET C C 177.548 0.150 1 696 . 144 MET CA C 57.501 0.410 1 697 . 144 MET CB C 31.338 0.410 1 698 . 144 MET N N 117.471 0.275 1 699 . 145 MET H H 7.560 0.042 1 700 . 145 MET C C 177.589 0.150 1 701 . 145 MET CA C 55.247 0.410 1 702 . 145 MET CB C 31.362 0.410 1 703 . 145 MET N N 113.536 0.265 1 704 . 146 THR H H 7.553 0.044 1 705 . 146 THR C C 174.434 0.150 1 706 . 146 THR CA C 62.140 0.410 1 707 . 146 THR CB C 70.729 0.410 1 708 . 146 THR N N 109.275 0.294 1 709 . 147 ALA H H 7.635 0.038 1 710 . 147 ALA C C 177.130 0.150 1 711 . 147 ALA CA C 52.970 0.410 1 712 . 147 ALA CB C 19.450 0.410 1 713 . 147 ALA N N 127.279 0.269 1 714 . 148 LYS H H 8.031 0.036 1 715 . 148 LYS C C 181.692 0.150 1 716 . 148 LYS CA C 57.923 0.410 1 717 . 148 LYS CB C 33.819 0.410 1 718 . 148 LYS N N 127.208 0.262 1 stop_ save_