data_6995 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of GDP-bound form of the GTP/GDP binding domain of translation initiation factor IF2 ; _BMRB_accession_number 6995 _BMRB_flat_file_name bmr6995.str _Entry_type original _Submission_date 2006-02-20 _Accession_date 2006-02-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; structure of GDP-bound GTPase domain of IF2 from Bacillus stearothermophilus. Amino acid sequence is GSHM+ residues 241-415 from B.st. IF2. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tischenko Eugene V. . 2 Folkers Gert . . 3 Boelens Rolf . . 4 Gualerzi Claudio O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 721 "13C chemical shifts" 620 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-11-07 original author . stop_ _Original_release_date 2006-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The nucleotide-binding site of bacterial translation initiation factor 2 (IF2) as a metabolic sensor' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16968770 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Milon P. . . 2 Tischenko Eugene V. . 3 Tomsic J. . . 4 Caserta E. . . 5 Folkers Gert . . 6 'La Teana' A. . . 7 Rodnina M. V. . 8 Pon C. L. . 9 Boelens Rolf . . 10 Gualerzi Claudio O. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 103 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13962 _Page_last 13967 _Year 2006 _Details . loop_ _Keyword GTPase 'initiation factor' NMR translation stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'g2 complexed with GDP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'g2 complexed with GDP' $GTPase_domain_from_IF2 GDP $GDP stop_ _System_molecular_weight 19500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GTPase_domain_from_IF2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IF2G2-GDP _Molecular_mass 19500 _Mol_thiol_state 'all free' loop_ _Biological_function 'Translation Initiation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 178 _Mol_residue_sequence ; GSHMVERPPVVTIMGHVDHG KTTLLDAIRHSKVTEQEAGG ITQHIGAYQVTVNDKKITFL DTPGHEAFTTMRARGAQVTD IVILVVAADDGVMPQTVEAI NHAKAANVPIIVAINKMDKP EANPDRVMQELMEYNLVPEE WGGDTIFCKLSAKTKEGLDH LLEMILLVSEMEELKANP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 VAL 6 GLU 7 ARG 8 PRO 9 PRO 10 VAL 11 VAL 12 THR 13 ILE 14 MET 15 GLY 16 HIS 17 VAL 18 ASP 19 HIS 20 GLY 21 LYS 22 THR 23 THR 24 LEU 25 LEU 26 ASP 27 ALA 28 ILE 29 ARG 30 HIS 31 SER 32 LYS 33 VAL 34 THR 35 GLU 36 GLN 37 GLU 38 ALA 39 GLY 40 GLY 41 ILE 42 THR 43 GLN 44 HIS 45 ILE 46 GLY 47 ALA 48 TYR 49 GLN 50 VAL 51 THR 52 VAL 53 ASN 54 ASP 55 LYS 56 LYS 57 ILE 58 THR 59 PHE 60 LEU 61 ASP 62 THR 63 PRO 64 GLY 65 HIS 66 GLU 67 ALA 68 PHE 69 THR 70 THR 71 MET 72 ARG 73 ALA 74 ARG 75 GLY 76 ALA 77 GLN 78 VAL 79 THR 80 ASP 81 ILE 82 VAL 83 ILE 84 LEU 85 VAL 86 VAL 87 ALA 88 ALA 89 ASP 90 ASP 91 GLY 92 VAL 93 MET 94 PRO 95 GLN 96 THR 97 VAL 98 GLU 99 ALA 100 ILE 101 ASN 102 HIS 103 ALA 104 LYS 105 ALA 106 ALA 107 ASN 108 VAL 109 PRO 110 ILE 111 ILE 112 VAL 113 ALA 114 ILE 115 ASN 116 LYS 117 MET 118 ASP 119 LYS 120 PRO 121 GLU 122 ALA 123 ASN 124 PRO 125 ASP 126 ARG 127 VAL 128 MET 129 GLN 130 GLU 131 LEU 132 MET 133 GLU 134 TYR 135 ASN 136 LEU 137 VAL 138 PRO 139 GLU 140 GLU 141 TRP 142 GLY 143 GLY 144 ASP 145 THR 146 ILE 147 PHE 148 CYS 149 LYS 150 LEU 151 SER 152 ALA 153 LYS 154 THR 155 LYS 156 GLU 157 GLY 158 LEU 159 ASP 160 HIS 161 LEU 162 LEU 163 GLU 164 MET 165 ILE 166 LEU 167 LEU 168 VAL 169 SER 170 GLU 171 MET 172 GLU 173 GLU 174 LEU 175 LYS 176 ALA 177 ASN 178 PRO 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 6946 GTPase_domain_from_IF2 100.00 178 100.00 100.00 2.66e-126 PDB 2LKC "Free B.St If2-G2" 100.00 178 100.00 100.00 2.66e-126 PDB 2LKD "If2-G2 Gdp Complex" 100.00 178 100.00 100.00 2.66e-126 DBJ BAD75548 "translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" 98.31 709 98.86 100.00 3.33e-118 DBJ GAD12201 "translation initiation factor IF-2 [Geobacillus kaustophilus GBlys]" 98.31 734 98.86 100.00 6.08e-118 DBJ GAJ59418 "translation initiation factor IF-2 [Geobacillus thermoleovorans B23]" 98.31 739 98.86 100.00 6.24e-118 EMBL CAA27987 "unnamed protein product [Geobacillus stearothermophilus]" 98.31 741 98.86 99.43 8.94e-118 GB ABO66491 "Translation initiation factor IF-2 [Geobacillus thermodenitrificans NG80-2]" 98.31 735 97.14 99.43 6.65e-116 GB ACX78663 "translation initiation factor IF-2 [Geobacillus sp. Y412MC61]" 98.31 739 98.86 100.00 6.24e-118 GB ADI27260 "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" 98.31 739 98.86 100.00 7.25e-118 GB ADU93636 "translation initiation factor IF-2 [Geobacillus sp. Y412MC52]" 98.31 739 98.86 100.00 6.24e-118 GB AEV18768 "Translation initiation factor IF-2 [Geobacillus thermoleovorans CCB_US3_UF5]" 98.31 739 98.86 100.00 6.24e-118 REF WP_008878544 "translation initiation factor IF-2 [Geobacillus sp. G11MC16]" 98.31 735 97.14 99.43 6.65e-116 REF WP_011230763 "translation initiation factor IF-2 [Geobacillus kaustophilus]" 98.31 709 98.86 100.00 3.33e-118 REF WP_011887154 "translation initiation factor IF-2 [Geobacillus thermodenitrificans]" 98.31 735 97.14 99.43 6.65e-116 REF WP_013145729 "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" 98.31 739 98.86 100.00 7.25e-118 REF WP_013523417 "MULTISPECIES: translation initiation factor IF-2 [Geobacillus]" 98.31 739 98.86 100.00 6.24e-118 SP A4IMD7 "RecName: Full=Translation initiation factor IF-2 [Geobacillus thermodenitrificans NG80-2]" 98.31 735 97.14 99.43 6.65e-116 SP P04766 "RecName: Full=Translation initiation factor IF-2 [Geobacillus stearothermophilus]" 98.31 741 98.86 99.43 8.94e-118 SP Q5L0I8 "RecName: Full=Translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" 98.31 709 98.86 100.00 3.33e-118 stop_ save_ ############# # Ligands # ############# save_GDP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common "GDP (GUANOSINE-5'-DIPHOSPHATE)" _BMRB_code . _PDB_code GDP _Molecular_mass 443.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 19:06:23 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 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 DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $GTPase_domain_from_IF2 'Bacillus stearothermophilus' 1422 Bacteria . Geobacillus Geobacillus 'Bacillus stearothermophilus' 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 $GTPase_domain_from_IF2 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTPase_domain_from_IF2 0.6 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM . 'potassiumm chloride' 150 mM . DTT 1 mM . GDP 1 mM . MgCl2 5 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.0 loop_ _Vendor _Address _Electronic_address bruker . . stop_ loop_ _Task 'NMR data acquisitiuon' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name nmrPipe/draw _Version . loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task processing stop_ _Details . save_ save_nmrView _Saveframe_category software _Name NMRView _Version 5.0 loop_ _Vendor _Address _Electronic_address Merk . . stop_ loop_ _Task 'spectra analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details ; Bruker AVANCE 600, TXI probe with z gradients ; save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details ; Bruker AVANCE 600, cryo probe with z gradients ; save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 900 _Details ; Bruker AVANCE 900, TXI probe with z gradients ; save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_HSQC _Sample_label $sample_2 save_ save_13C_HSQC-CT_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_HSQC-CT _Sample_label $sample_2 save_ save_13C_HSQC-CT-aroma_3 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_HSQC-CT-aroma _Sample_label $sample_2 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_2 save_ save_HNCOCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_2 save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_2 save_ save_HCCCONH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH-TOCSY _Sample_label $sample_2 save_ save_hCCCONH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name hCCCONH-TOCSY _Sample_label $sample_2 save_ save_hCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name hCCH-TOCSY _Sample_label $sample_2 save_ save_NOE-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name NOE-15N_HSQC _Sample_label $sample_2 save_ save_NOE-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name NOE-13C_HSQC _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'pH 6.5, temperature 315K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 315 0.2 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 TSP C 13 'methyl protons' ppm . . indirect . . . 0.25144954 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation TSP N 15 'methyl protons' ppm . . indirect . . . 0.10132900 $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 15N_HSQC 13C_HSQC-CT 13C_HSQC-CT-aroma HNCA HNCOCA HNCO HCCCONH-TOCSY hCCCONH-TOCSY hCCH-TOCSY NOE-13C_HSQC NOE-15N_HSQC stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'g2 complexed with GDP' _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 GLY HA3 H 3.93 0.01 2 2 1 1 GLY CA C 43.34 0.1 1 3 4 4 MET HA H 4.50 0.01 1 4 4 4 MET HB2 H 2.53 0.01 2 5 4 4 MET HG2 H 2.09 0.01 2 6 4 4 MET HG3 H 2.03 0.01 2 7 4 4 MET C C 175.67 0.1 1 8 4 4 MET CA C 55.68 0.1 1 9 4 4 MET CB C 32.05 0.1 1 10 4 4 MET CG C 33.16 0.1 1 11 5 5 VAL H H 8.09 0.01 1 12 5 5 VAL HA H 4.16 0.01 1 13 5 5 VAL HB H 2.09 0.01 1 14 5 5 VAL HG1 H 0.96 0.01 2 15 5 5 VAL C C 175.63 0.1 1 16 5 5 VAL CA C 62.10 0.1 1 17 5 5 VAL CB C 32.77 0.1 1 18 5 5 VAL CG1 C 20.97 0.1 2 19 5 5 VAL N N 122.23 0.1 1 20 6 6 GLU H H 8.49 0.01 1 21 6 6 GLU N N 126.17 0.1 1 22 10 10 VAL HA H 4.52 0.01 1 23 10 10 VAL HB H 2.04 0.01 1 24 10 10 VAL HG1 H 0.86 0.01 2 25 10 10 VAL CA C 61.53 0.1 1 26 10 10 VAL CB C 33.19 0.1 1 27 10 10 VAL CG1 C 21.79 0.1 2 28 11 11 VAL HA H 4.94 0.01 1 29 11 11 VAL HB H 1.43 0.01 1 30 11 11 VAL HG1 H 0.75 0.01 2 31 11 11 VAL HG2 H 0.37 0.01 2 32 11 11 VAL CA C 60.42 0.1 1 33 11 11 VAL CB C 33.17 0.1 1 34 11 11 VAL CG1 C 22.61 0.1 2 35 11 11 VAL CG2 C 21.49 0.1 2 36 13 13 ILE HA H 4.83 0.01 1 37 13 13 ILE HB H 2.02 0.01 1 38 13 13 ILE HG12 H 1.85 0.01 2 39 13 13 ILE HG2 H 1.03 0.01 1 40 13 13 ILE HD1 H 0.92 0.01 1 41 13 13 ILE C C 174.82 0.1 1 42 13 13 ILE CA C 61.00 0.1 1 43 13 13 ILE CB C 38.18 0.1 1 44 13 13 ILE CG1 C 28.53 0.1 1 45 13 13 ILE CG2 C 19.24 0.1 1 46 13 13 ILE CD1 C 13.49 0.1 1 47 14 14 MET H H 9.26 0.01 1 48 14 14 MET HA H 4.98 0.01 1 49 14 14 MET HB2 H 2.30 0.01 2 50 14 14 MET HB3 H 1.53 0.01 2 51 14 14 MET HG2 H 2.42 0.01 2 52 14 14 MET HE H 1.84 0.01 1 53 14 14 MET C C 174.14 0.1 1 54 14 14 MET CA C 54.76 0.1 1 55 14 14 MET CB C 38.89 0.1 1 56 14 14 MET CG C 33.69 0.1 1 57 14 14 MET CE C 17.76 0.1 1 58 14 14 MET N N 125.64 0.1 1 59 15 15 GLY H H 8.84 0.01 1 60 15 15 GLY HA2 H 3.48 0.01 2 61 15 15 GLY HA3 H 5.06 0.01 2 62 15 15 GLY C C 172.10 0.1 1 63 15 15 GLY CA C 44.00 0.1 1 64 15 15 GLY N N 106.92 0.1 1 65 16 16 HIS H H 9.13 0.01 1 66 16 16 HIS HA H 4.37 0.01 1 67 16 16 HIS HB2 H 2.63 0.01 2 68 16 16 HIS HB3 H 1.33 0.01 2 69 16 16 HIS HD2 H 7.28 0.01 1 70 16 16 HIS HE1 H 7.94 0.01 1 71 16 16 HIS C C 174.03 0.1 1 72 16 16 HIS CA C 57.40 0.1 1 73 16 16 HIS CB C 31.11 0.1 1 74 16 16 HIS CD2 C 121.34 0.1 1 75 16 16 HIS CE1 C 138.03 0.1 1 76 16 16 HIS N N 123.42 0.1 1 77 16 16 HIS ND1 N 249.50 0.1 1 78 16 16 HIS NE2 N 164.70 0.1 1 79 17 17 VAL H H 6.51 0.01 1 80 17 17 VAL HA H 3.82 0.01 1 81 17 17 VAL HB H 1.92 0.01 1 82 17 17 VAL HG1 H 1.04 0.01 2 83 17 17 VAL HG2 H 0.69 0.01 2 84 17 17 VAL C C 173.42 0.1 1 85 17 17 VAL CA C 63.26 0.1 1 86 17 17 VAL CB C 31.66 0.1 1 87 17 17 VAL CG1 C 21.83 0.1 2 88 17 17 VAL CG2 C 18.94 0.1 2 89 17 17 VAL N N 127.41 0.1 1 90 18 18 ASP H H 10.16 0.01 1 91 18 18 ASP HA H 4.70 0.01 1 92 18 18 ASP HB2 H 3.18 0.01 2 93 18 18 ASP HB3 H 3.08 0.01 2 94 18 18 ASP C C 176.69 0.1 1 95 18 18 ASP CA C 56.12 0.1 1 96 18 18 ASP CB C 41.00 0.1 1 97 18 18 ASP N N 123.35 0.1 1 98 19 19 HIS H H 8.41 0.01 1 99 19 19 HIS HA H 4.48 0.01 1 100 19 19 HIS HB2 H 3.44 0.01 2 101 19 19 HIS HB3 H 2.96 0.01 2 102 19 19 HIS HD2 H 7.08 0.01 1 103 19 19 HIS HE1 H 8.61 0.01 1 104 19 19 HIS HE2 H 13.10 0.01 1 105 19 19 HIS C C 174.54 0.1 1 106 19 19 HIS CA C 58.86 0.1 1 107 19 19 HIS CB C 30.62 0.1 1 108 19 19 HIS CD2 C 117.69 0.1 1 109 19 19 HIS CE1 C 139.33 0.1 1 110 19 19 HIS N N 121.20 0.1 1 111 19 19 HIS ND1 N 243.30 0.1 1 112 19 19 HIS NE2 N 168.60 0.1 1 113 20 20 GLY H H 8.83 0.01 1 114 20 20 GLY HA2 H 4.18 0.01 2 115 20 20 GLY HA3 H 4.38 0.01 2 116 20 20 GLY C C 173.40 0.1 1 117 20 20 GLY CA C 46.76 0.1 1 118 20 20 GLY N N 109.54 0.1 1 119 21 21 LYS H H 10.53 0.01 1 120 21 21 LYS N N 125.24 0.1 1 121 22 22 THR HA H 3.86 0.01 1 122 22 22 THR HB H 4.52 0.01 1 123 22 22 THR HG2 H 1.28 0.01 1 124 22 22 THR C C 176.70 0.1 1 125 22 22 THR CA C 67.28 0.1 1 126 22 22 THR CB C 68.37 0.1 1 127 22 22 THR CG2 C 21.34 0.1 1 128 23 23 THR H H 9.11 0.01 1 129 23 23 THR HA H 3.82 0.01 1 130 23 23 THR HB H 4.05 0.01 1 131 23 23 THR HG2 H 0.82 0.01 1 132 23 23 THR C C 176.58 0.1 1 133 23 23 THR CA C 67.25 0.1 1 134 23 23 THR CB C 67.72 0.1 1 135 23 23 THR CG2 C 20.57 0.1 1 136 23 23 THR N N 121.83 0.1 1 137 24 24 LEU H H 8.54 0.01 1 138 24 24 LEU HA H 3.99 0.01 1 139 24 24 LEU HB2 H 1.43 0.01 2 140 24 24 LEU HB3 H 2.17 0.01 2 141 24 24 LEU HD1 H 0.80 0.01 2 142 24 24 LEU HD2 H 0.74 0.01 2 143 24 24 LEU C C 177.28 0.1 1 144 24 24 LEU CA C 58.60 0.1 1 145 24 24 LEU CB C 41.01 0.1 1 146 24 24 LEU CD1 C 24.50 0.1 2 147 24 24 LEU CD2 C 26.09 0.1 2 148 24 24 LEU N N 125.16 0.1 1 149 25 25 LEU H H 8.17 0.01 1 150 25 25 LEU HA H 3.76 0.01 1 151 25 25 LEU HB2 H 1.91 0.01 2 152 25 25 LEU HD1 H 0.97 0.01 2 153 25 25 LEU HD2 H 0.80 0.01 2 154 25 25 LEU C C 179.22 0.1 1 155 25 25 LEU CA C 58.28 0.1 1 156 25 25 LEU CB C 41.51 0.1 1 157 25 25 LEU CG C 27.56 0.1 1 158 25 25 LEU CD1 C 25.41 0.1 2 159 25 25 LEU CD2 C 24.10 0.1 2 160 25 25 LEU N N 121.20 0.1 1 161 26 26 ASP H H 8.63 0.01 1 162 26 26 ASP HA H 4.21 0.01 1 163 26 26 ASP HB2 H 2.76 0.01 2 164 26 26 ASP HB3 H 2.56 0.01 2 165 26 26 ASP C C 177.84 0.1 1 166 26 26 ASP CA C 57.31 0.1 1 167 26 26 ASP CB C 40.46 0.1 1 168 26 26 ASP N N 120.64 0.1 1 169 27 27 ALA H H 8.36 0.01 1 170 27 27 ALA HA H 4.10 0.01 1 171 27 27 ALA HB H 1.61 0.01 1 172 27 27 ALA C C 180.60 0.1 1 173 27 27 ALA CA C 55.02 0.1 1 174 27 27 ALA CB C 18.47 0.1 1 175 27 27 ALA N N 124.40 0.1 1 176 28 28 ILE H H 8.04 0.01 1 177 28 28 ILE HA H 3.35 0.01 1 178 28 28 ILE HB H 1.71 0.01 1 179 28 28 ILE HG12 H 0.61 0.01 2 180 28 28 ILE HG2 H 0.38 0.01 1 181 28 28 ILE HD1 H 0.32 0.01 1 182 28 28 ILE CA C 66.03 0.1 1 183 28 28 ILE CB C 38.18 0.1 1 184 28 28 ILE CG1 C 30.02 0.1 1 185 28 28 ILE CG2 C 17.35 0.1 1 186 28 28 ILE CD1 C 13.24 0.1 1 187 28 28 ILE N N 120.22 0.1 1 188 29 29 ARG HA H 3.69 0.01 1 189 29 29 ARG HB2 H 1.35 0.01 2 190 29 29 ARG HB3 H 1.47 0.01 2 191 29 29 ARG HG2 H 1.12 0.01 2 192 29 29 ARG HD2 H 2.49 0.01 2 193 29 29 ARG C C 177.19 0.1 1 194 29 29 ARG CA C 58.45 0.1 1 195 29 29 ARG CB C 30.03 0.1 1 196 29 29 ARG CG C 26.89 0.1 1 197 29 29 ARG CD C 43.34 0.1 1 198 30 30 HIS H H 7.84 0.01 1 199 30 30 HIS HA H 4.66 0.01 1 200 30 30 HIS HB2 H 3.39 0.01 2 201 30 30 HIS HB3 H 3.07 0.01 2 202 30 30 HIS HD2 H 7.20 0.01 1 203 30 30 HIS C C 175.86 0.1 1 204 30 30 HIS CA C 56.77 0.1 1 205 30 30 HIS CB C 29.21 0.1 1 206 30 30 HIS CD2 C 119.94 0.1 1 207 30 30 HIS N N 115.39 0.1 1 208 31 31 SER H H 7.71 0.01 1 209 31 31 SER HA H 4.54 0.01 1 210 31 31 SER HB2 H 3.98 0.01 2 211 31 31 SER C C 174.35 0.1 1 212 31 31 SER CA C 59.74 0.1 1 213 31 31 SER CB C 64.28 0.1 1 214 31 31 SER N N 115.48 0.1 1 215 32 32 LYS H H 7.88 0.01 1 216 32 32 LYS HA H 4.66 0.01 1 217 32 32 LYS HB2 H 1.49 0.01 2 218 32 32 LYS HB3 H 1.35 0.01 2 219 32 32 LYS HG2 H 2.04 0.01 2 220 32 32 LYS HG3 H 1.77 0.01 2 221 32 32 LYS HD2 H 1.80 0.01 2 222 32 32 LYS HE2 H 3.03 0.01 2 223 32 32 LYS HE3 H 2.87 0.01 2 224 32 32 LYS C C 176.16 0.1 1 225 32 32 LYS CA C 54.82 0.1 1 226 32 32 LYS CB C 33.08 0.1 1 227 32 32 LYS CG C 24.59 0.1 1 228 32 32 LYS CD C 28.38 0.1 1 229 32 32 LYS CE C 42.04 0.1 1 230 32 32 LYS N N 121.44 0.1 1 231 33 33 VAL H H 8.09 0.01 1 232 33 33 VAL HA H 4.20 0.01 1 233 33 33 VAL HB H 2.23 0.01 1 234 33 33 VAL HG1 H 1.03 0.01 2 235 33 33 VAL C C 176.11 0.1 1 236 33 33 VAL CA C 63.23 0.1 1 237 33 33 VAL CB C 32.05 0.1 1 238 33 33 VAL CG1 C 21.33 0.1 2 239 33 33 VAL N N 121.31 0.1 1 240 34 34 THR H H 8.17 0.01 1 241 34 34 THR HA H 4.86 0.01 1 242 34 34 THR HB H 4.22 0.01 1 243 34 34 THR HG2 H 1.22 0.01 1 244 34 34 THR C C 174.52 0.1 1 245 34 34 THR CA C 61.41 0.1 1 246 34 34 THR CB C 70.61 0.1 1 247 34 34 THR CG2 C 22.23 0.1 1 248 34 34 THR N N 119.91 0.1 1 249 35 35 GLU H H 8.58 0.01 1 250 35 35 GLU HA H 4.54 0.01 1 251 35 35 GLU HB2 H 2.03 0.01 2 252 35 35 GLU HG2 H 2.30 0.01 2 253 35 35 GLU C C 176.14 0.1 1 254 35 35 GLU CA C 56.00 0.1 1 255 35 35 GLU CB C 31.59 0.1 1 256 35 35 GLU CG C 36.24 0.1 1 257 35 35 GLU N N 124.24 0.1 1 258 36 36 GLN H H 8.54 0.01 1 259 36 36 GLN HA H 4.48 0.01 1 260 36 36 GLN HB2 H 2.16 0.01 2 261 36 36 GLN HB3 H 2.06 0.01 2 262 36 36 GLN HG2 H 2.41 0.01 2 263 36 36 GLN C C 175.87 0.1 1 264 36 36 GLN CA C 56.01 0.1 1 265 36 36 GLN CB C 33.91 0.1 1 266 36 36 GLN CG C 36.22 0.1 1 267 36 36 GLN N N 122.78 0.1 1 268 37 37 GLU H H 8.43 0.01 1 269 37 37 GLU HA H 4.37 0.01 1 270 37 37 GLU HB2 H 2.10 0.01 2 271 37 37 GLU HB3 H 1.98 0.01 2 272 37 37 GLU HG2 H 2.31 0.01 2 273 37 37 GLU C C 176.24 0.1 1 274 37 37 GLU CA C 56.50 0.1 1 275 37 37 GLU CB C 30.57 0.1 1 276 37 37 GLU CG C 36.28 0.1 1 277 37 37 GLU N N 124.11 0.1 1 278 38 38 ALA H H 8.43 0.01 1 279 38 38 ALA HA H 4.40 0.01 1 280 38 38 ALA HB H 1.46 0.01 1 281 38 38 ALA C C 178.14 0.1 1 282 38 38 ALA CA C 52.64 0.1 1 283 38 38 ALA CB C 19.34 0.1 1 284 38 38 ALA N N 127.13 0.1 1 285 39 39 GLY H H 8.38 0.01 1 286 39 39 GLY HA2 H 4.02 0.01 2 287 39 39 GLY C C 174.69 0.1 1 288 39 39 GLY CA C 45.32 0.1 1 289 39 39 GLY N N 109.17 0.1 1 290 40 40 GLY H H 8.21 0.01 1 291 40 40 GLY HA2 H 4.02 0.01 2 292 40 40 GLY C C 174.38 0.1 1 293 40 40 GLY CA C 45.42 0.1 1 294 40 40 GLY N N 109.61 0.1 1 295 41 41 ILE H H 8.04 0.01 1 296 41 41 ILE HA H 4.29 0.01 1 297 41 41 ILE HB H 1.95 0.01 1 298 41 41 ILE HG12 H 1.49 0.01 2 299 41 41 ILE HG2 H 0.94 0.01 1 300 41 41 ILE HD1 H 0.88 0.01 1 301 41 41 ILE C C 176.56 0.1 1 302 41 41 ILE CA C 61.57 0.1 1 303 41 41 ILE CB C 38.66 0.1 1 304 41 41 ILE CG1 C 27.41 0.1 1 305 41 41 ILE CG2 C 17.61 0.1 1 306 41 41 ILE CD1 C 13.00 0.1 1 307 41 41 ILE N N 120.84 0.1 1 308 42 42 THR H H 8.13 0.01 1 309 42 42 THR HA H 4.38 0.01 1 310 42 42 THR HB H 4.26 0.01 1 311 42 42 THR HG2 H 1.21 0.01 1 312 42 42 THR C C 174.32 0.1 1 313 42 42 THR CA C 61.82 0.1 1 314 42 42 THR CB C 69.67 0.1 1 315 42 42 THR CG2 C 21.73 0.1 1 316 42 42 THR N N 117.45 0.1 1 317 43 43 GLN H H 8.22 0.01 1 318 43 43 GLN N N 122.87 0.1 1 319 44 44 HIS HA H 4.68 0.01 1 320 44 44 HIS HB2 H 3.19 0.01 2 321 44 44 HIS HB3 H 3.14 0.01 2 322 44 44 HIS C C 174.84 0.1 1 323 44 44 HIS CA C 56.12 0.1 1 324 44 44 HIS CB C 30.27 0.1 1 325 45 45 ILE H H 7.98 0.01 1 326 45 45 ILE HA H 4.18 0.01 1 327 45 45 ILE HB H 1.89 0.01 1 328 45 45 ILE HG12 H 1.22 0.01 2 329 45 45 ILE HG2 H 0.96 0.01 1 330 45 45 ILE HD1 H 0.88 0.01 1 331 45 45 ILE C C 176.09 0.1 1 332 45 45 ILE CA C 61.34 0.1 1 333 45 45 ILE CB C 38.87 0.1 1 334 45 45 ILE CG1 C 27.47 0.1 1 335 45 45 ILE CG2 C 17.72 0.1 1 336 45 45 ILE CD1 C 13.05 0.1 1 337 45 45 ILE N N 122.30 0.1 1 338 46 46 GLY H H 8.47 0.01 1 339 46 46 GLY N N 114.76 0.1 1 340 47 47 ALA HA H 5.11 0.01 1 341 47 47 ALA HB H 1.21 0.01 1 342 47 47 ALA CA C 51.22 0.1 1 343 47 47 ALA CB C 22.06 0.1 1 344 48 48 TYR H H 8.85 0.01 1 345 48 48 TYR HA H 5.06 0.01 1 346 48 48 TYR HB2 H 3.02 0.01 2 347 48 48 TYR HB3 H 2.97 0.01 2 348 48 48 TYR HD1 H 7.01 0.01 3 349 48 48 TYR HE1 H 6.67 0.01 3 350 48 48 TYR CA C 56.70 0.1 1 351 48 48 TYR CB C 41.29 0.1 1 352 48 48 TYR CD1 C 133.11 0.1 3 353 48 48 TYR CE1 C 118.49 0.1 3 354 48 48 TYR N N 119.37 0.1 1 355 49 49 GLN HA H 5.56 0.01 1 356 49 49 GLN HG2 H 2.28 0.01 2 357 49 49 GLN HE21 H 7.27 0.01 2 358 49 49 GLN HE22 H 6.76 0.01 2 359 49 49 GLN C C 175.29 0.1 1 360 49 49 GLN CA C 54.64 0.1 1 361 49 49 GLN CB C 31.37 0.1 1 362 49 49 GLN CG C 34.53 0.1 1 363 49 49 GLN NE2 N 112.15 0.1 1 364 50 50 VAL H H 9.18 0.01 1 365 50 50 VAL HA H 4.82 0.01 1 366 50 50 VAL HB H 2.15 0.01 1 367 50 50 VAL HG1 H 0.96 0.01 2 368 50 50 VAL C C 174.47 0.1 1 369 50 50 VAL CA C 60.00 0.1 1 370 50 50 VAL CB C 35.27 0.1 1 371 50 50 VAL CG1 C 21.29 0.1 2 372 50 50 VAL N N 123.98 0.1 1 373 51 51 THR H H 8.60 0.01 1 374 51 51 THR HA H 5.07 0.01 1 375 51 51 THR HB H 4.01 0.01 1 376 51 51 THR HG2 H 1.11 0.01 1 377 51 51 THR C C 174.07 0.1 1 378 51 51 THR CA C 61.98 0.1 1 379 51 51 THR CB C 69.42 0.1 1 380 51 51 THR CG2 C 21.50 0.1 1 381 51 51 THR N N 122.08 0.1 1 382 52 52 VAL H H 9.08 0.01 1 383 52 52 VAL HA H 4.22 0.01 1 384 52 52 VAL HB H 2.04 0.01 1 385 52 52 VAL HG1 H 0.94 0.01 2 386 52 52 VAL C C 174.80 0.1 1 387 52 52 VAL CA C 60.95 0.1 1 388 52 52 VAL CB C 33.73 0.1 1 389 52 52 VAL CG1 C 21.24 0.1 2 390 52 52 VAL N N 129.09 0.1 1 391 53 53 ASN H H 9.10 0.01 1 392 53 53 ASN HA H 4.27 0.01 1 393 53 53 ASN HB2 H 3.07 0.01 2 394 53 53 ASN HB3 H 2.91 0.01 2 395 53 53 ASN HD21 H 7.23 0.01 2 396 53 53 ASN HD22 H 6.76 0.01 2 397 53 53 ASN C C 174.03 0.1 1 398 53 53 ASN CA C 54.80 0.1 1 399 53 53 ASN CB C 36.81 0.1 1 400 53 53 ASN N N 126.53 0.1 1 401 53 53 ASN ND2 N 113.00 0.1 1 402 54 54 ASP H H 8.44 0.01 1 403 54 54 ASP HA H 4.27 0.01 1 404 54 54 ASP HB2 H 2.94 0.01 2 405 54 54 ASP HB3 H 2.87 0.01 2 406 54 54 ASP C C 174.76 0.1 1 407 54 54 ASP CA C 55.56 0.1 1 408 54 54 ASP CB C 40.30 0.1 1 409 54 54 ASP N N 113.60 0.1 1 410 55 55 LYS H H 8.18 0.01 1 411 55 55 LYS HA H 4.68 0.01 1 412 55 55 LYS HB2 H 1.89 0.01 2 413 55 55 LYS HE2 H 3.04 0.01 2 414 55 55 LYS CA C 54.86 0.1 1 415 55 55 LYS CB C 34.73 0.1 1 416 55 55 LYS CG C 24.74 0.1 1 417 55 55 LYS CD C 28.17 0.1 1 418 55 55 LYS CE C 41.99 0.1 1 419 55 55 LYS N N 122.90 0.1 1 420 57 57 ILE HA H 4.13 0.01 1 421 57 57 ILE HB H 1.62 0.01 1 422 57 57 ILE HG2 H 0.30 0.01 1 423 57 57 ILE HD1 H 0.81 0.01 1 424 57 57 ILE CA C 60.90 0.1 1 425 57 57 ILE CB C 41.90 0.1 1 426 57 57 ILE CG1 C 27.34 0.1 1 427 57 57 ILE CG2 C 19.45 0.1 1 428 57 57 ILE CD1 C 14.10 0.1 1 429 58 58 THR HA H 5.01 0.01 1 430 58 58 THR HB H 4.11 0.01 1 431 58 58 THR HG2 H 1.06 0.01 1 432 58 58 THR CA C 62.20 0.1 1 433 58 58 THR CB C 69.50 0.1 1 434 58 58 THR CG2 C 22.06 0.1 1 435 59 59 PHE H H 9.36 0.01 1 436 59 59 PHE HD1 H 7.06 0.01 3 437 59 59 PHE HE1 H 6.95 0.01 3 438 59 59 PHE HZ H 6.87 0.01 1 439 59 59 PHE CA C 56.80 0.1 1 440 59 59 PHE CD1 C 131.90 0.1 3 441 59 59 PHE CE1 C 130.10 0.1 3 442 59 59 PHE CZ C 128.10 0.1 1 443 59 59 PHE N N 126.80 0.1 1 444 63 63 PRO HA H 4.53 0.01 1 445 63 63 PRO HB2 H 2.31 0.01 2 446 63 63 PRO HB3 H 2.17 0.01 2 447 63 63 PRO HG2 H 1.96 0.01 2 448 63 63 PRO HG3 H 1.91 0.01 2 449 63 63 PRO HD2 H 3.58 0.01 2 450 63 63 PRO CA C 65.07 0.1 1 451 63 63 PRO CB C 34.14 0.1 1 452 63 63 PRO CG C 24.80 0.1 1 453 63 63 PRO CD C 49.99 0.1 1 454 68 68 PHE HA H 4.46 0.01 1 455 68 68 PHE HB2 H 3.14 0.01 2 456 68 68 PHE HD1 H 7.16 0.01 3 457 68 68 PHE HZ H 7.11 0.01 1 458 68 68 PHE CA C 59.23 0.1 1 459 68 68 PHE CB C 39.12 0.1 1 460 68 68 PHE CD1 C 131.56 0.1 3 461 68 68 PHE CZ C 129.14 0.1 1 462 71 71 MET HE H 1.95 0.01 1 463 71 71 MET CE C 17.09 0.1 1 464 81 81 ILE HA H 4.28 0.01 1 465 81 81 ILE HB H 1.50 0.01 1 466 81 81 ILE HG2 H 0.75 0.01 1 467 81 81 ILE HD1 H 0.73 0.01 1 468 81 81 ILE C C 174.10 0.1 1 469 81 81 ILE CA C 60.62 0.1 1 470 81 81 ILE CB C 44.01 0.1 1 471 81 81 ILE CG1 C 27.77 0.1 1 472 81 81 ILE CG2 C 17.07 0.1 1 473 81 81 ILE CD1 C 14.73 0.1 1 474 82 82 VAL H H 8.47 0.01 1 475 82 82 VAL HA H 4.95 0.01 1 476 82 82 VAL HB H 1.87 0.01 1 477 82 82 VAL HG1 H 0.93 0.01 2 478 82 82 VAL HG2 H 0.76 0.01 2 479 82 82 VAL C C 175.22 0.1 1 480 82 82 VAL CA C 60.66 0.1 1 481 82 82 VAL CB C 34.86 0.1 1 482 82 82 VAL CG1 C 23.63 0.1 2 483 82 82 VAL CG2 C 20.43 0.1 2 484 82 82 VAL N N 127.26 0.1 1 485 83 83 ILE H H 8.57 0.01 1 486 83 83 ILE HA H 4.92 0.01 1 487 83 83 ILE HB H 1.91 0.01 1 488 83 83 ILE HG12 H 1.37 0.01 2 489 83 83 ILE HG13 H 1.12 0.01 2 490 83 83 ILE HG2 H 0.72 0.01 1 491 83 83 ILE HD1 H 0.80 0.01 1 492 83 83 ILE C C 174.01 0.1 1 493 83 83 ILE CA C 58.40 0.1 1 494 83 83 ILE CB C 37.98 0.1 1 495 83 83 ILE CG1 C 27.14 0.1 1 496 83 83 ILE CG2 C 17.97 0.1 1 497 83 83 ILE CD1 C 13.27 0.1 1 498 83 83 ILE N N 126.33 0.1 1 499 84 84 LEU H H 9.01 0.01 1 500 84 84 LEU HA H 4.58 0.01 1 501 84 84 LEU HB2 H 1.81 0.01 2 502 84 84 LEU HB3 H 0.88 0.01 2 503 84 84 LEU HG H 1.26 0.01 1 504 84 84 LEU HD1 H 0.67 0.01 2 505 84 84 LEU HD2 H 0.86 0.01 2 506 84 84 LEU C C 174.31 0.1 1 507 84 84 LEU CA C 52.35 0.1 1 508 84 84 LEU CB C 44.38 0.1 1 509 84 84 LEU CG C 26.79 0.1 1 510 84 84 LEU CD1 C 26.45 0.1 2 511 84 84 LEU CD2 C 24.14 0.1 2 512 84 84 LEU N N 131.33 0.1 1 513 85 85 VAL H H 9.19 0.01 1 514 85 85 VAL HA H 4.85 0.01 1 515 85 85 VAL HB H 1.99 0.01 1 516 85 85 VAL HG1 H 0.96 0.01 2 517 85 85 VAL HG2 H 0.76 0.01 2 518 85 85 VAL C C 175.94 0.1 1 519 85 85 VAL CA C 61.99 0.1 1 520 85 85 VAL CB C 32.10 0.1 1 521 85 85 VAL CG1 C 24.69 0.1 2 522 85 85 VAL CG2 C 22.05 0.1 2 523 85 85 VAL N N 130.52 0.1 1 524 86 86 VAL H H 8.94 0.01 1 525 86 86 VAL HA H 4.74 0.01 1 526 86 86 VAL HB H 1.95 0.01 1 527 86 86 VAL HG1 H 0.95 0.01 2 528 86 86 VAL C C 174.45 0.1 1 529 86 86 VAL CA C 60.41 0.1 1 530 86 86 VAL CB C 34.75 0.1 1 531 86 86 VAL CG1 C 21.62 0.1 2 532 86 86 VAL N N 126.74 0.1 1 533 87 87 ALA H H 7.86 0.01 1 534 87 87 ALA HA H 3.96 0.01 1 535 87 87 ALA HB H 0.94 0.01 1 536 87 87 ALA C C 178.25 0.1 1 537 87 87 ALA CA C 52.26 0.1 1 538 87 87 ALA CB C 18.44 0.1 1 539 87 87 ALA N N 130.97 0.1 1 540 88 88 ALA H H 8.98 0.01 1 541 88 88 ALA HA H 3.86 0.01 1 542 88 88 ALA HB H 1.34 0.01 1 543 88 88 ALA C C 176.71 0.1 1 544 88 88 ALA CA C 53.95 0.1 1 545 88 88 ALA CB C 20.02 0.1 1 546 88 88 ALA N N 122.91 0.1 1 547 89 89 ASP H H 8.63 0.01 1 548 89 89 ASP HA H 4.59 0.01 1 549 89 89 ASP HB2 H 2.85 0.01 2 550 89 89 ASP HB3 H 1.94 0.01 2 551 89 89 ASP C C 175.16 0.1 1 552 89 89 ASP CA C 52.98 0.1 1 553 89 89 ASP CB C 39.89 0.1 1 554 89 89 ASP N N 115.34 0.1 1 555 90 90 ASP H H 7.69 0.01 1 556 90 90 ASP HA H 4.75 0.01 1 557 90 90 ASP HB2 H 2.76 0.01 2 558 90 90 ASP HB3 H 2.17 0.01 2 559 90 90 ASP C C 175.98 0.1 1 560 90 90 ASP CA C 54.50 0.1 1 561 90 90 ASP CB C 43.24 0.1 1 562 90 90 ASP N N 122.88 0.1 1 563 91 91 GLY H H 7.74 0.01 1 564 91 91 GLY HA2 H 3.73 0.01 2 565 91 91 GLY HA3 H 4.21 0.01 2 566 91 91 GLY C C 171.97 0.1 1 567 91 91 GLY CA C 44.46 0.1 1 568 91 91 GLY N N 106.12 0.1 1 569 92 92 VAL H H 8.58 0.01 1 570 92 92 VAL HA H 3.47 0.01 1 571 92 92 VAL HB H 2.13 0.01 1 572 92 92 VAL HG1 H 1.10 0.01 2 573 92 92 VAL HG2 H 0.76 0.01 2 574 92 92 VAL C C 175.71 0.1 1 575 92 92 VAL CA C 65.35 0.1 1 576 92 92 VAL CB C 31.11 0.1 1 577 92 92 VAL CG1 C 24.56 0.1 2 578 92 92 VAL CG2 C 21.74 0.1 2 579 92 92 VAL N N 119.41 0.1 1 580 93 93 MET H H 7.60 0.01 1 581 93 93 MET HA H 5.21 0.01 1 582 93 93 MET HB2 H 0.97 0.01 2 583 93 93 MET HG2 H 2.51 0.01 2 584 93 93 MET HE H 2.05 0.01 1 585 93 93 MET CA C 52.69 0.1 1 586 93 93 MET CB C 32.14 0.1 1 587 93 93 MET CG C 32.91 0.1 1 588 93 93 MET CE C 17.93 0.1 1 589 93 93 MET N N 129.34 0.1 1 590 94 94 PRO HA H 4.28 0.01 1 591 94 94 PRO HB2 H 2.55 0.01 2 592 94 94 PRO HB3 H 2.09 0.01 2 593 94 94 PRO HG2 H 2.35 0.01 2 594 94 94 PRO HG3 H 2.12 0.01 2 595 94 94 PRO HD2 H 3.92 0.01 2 596 94 94 PRO HD3 H 3.58 0.01 2 597 94 94 PRO C C 179.83 0.1 1 598 94 94 PRO CA C 67.77 0.1 1 599 94 94 PRO CB C 32.47 0.1 1 600 94 94 PRO CG C 28.22 0.1 1 601 94 94 PRO CD C 50.97 0.1 1 602 95 95 GLN H H 9.86 0.01 1 603 95 95 GLN HA H 4.39 0.01 1 604 95 95 GLN HB2 H 2.04 0.01 2 605 95 95 GLN HG2 H 2.57 0.01 2 606 95 95 GLN HE21 H 7.47 0.01 2 607 95 95 GLN HE22 H 6.45 0.01 2 608 95 95 GLN C C 179.61 0.1 1 609 95 95 GLN CA C 58.87 0.1 1 610 95 95 GLN CB C 27.47 0.1 1 611 95 95 GLN CG C 34.51 0.1 1 612 95 95 GLN N N 115.60 0.1 1 613 95 95 GLN NE2 N 111.76 0.1 1 614 96 96 THR H H 8.04 0.01 1 615 96 96 THR HA H 3.74 0.01 1 616 96 96 THR HB H 4.68 0.01 1 617 96 96 THR HG2 H 1.37 0.01 1 618 96 96 THR C C 175.62 0.1 1 619 96 96 THR CA C 67.37 0.1 1 620 96 96 THR CB C 67.75 0.1 1 621 96 96 THR CG2 C 24.37 0.1 1 622 96 96 THR N N 120.23 0.1 1 623 97 97 VAL H H 7.17 0.01 1 624 97 97 VAL HA H 3.07 0.01 1 625 97 97 VAL HB H 2.09 0.01 1 626 97 97 VAL HG1 H 0.58 0.01 2 627 97 97 VAL HG2 H 0.83 0.01 2 628 97 97 VAL C C 177.46 0.1 1 629 97 97 VAL CA C 66.51 0.1 1 630 97 97 VAL CB C 31.65 0.1 1 631 97 97 VAL CG1 C 21.83 0.1 2 632 97 97 VAL CG2 C 21.02 0.1 2 633 97 97 VAL N N 121.05 0.1 1 634 98 98 GLU H H 7.62 0.01 1 635 98 98 GLU HA H 3.98 0.01 1 636 98 98 GLU HB2 H 2.02 0.01 2 637 98 98 GLU HG2 H 2.41 0.01 2 638 98 98 GLU HG3 H 2.22 0.01 2 639 98 98 GLU C C 178.40 0.1 1 640 98 98 GLU CA C 59.44 0.1 1 641 98 98 GLU CB C 29.98 0.1 1 642 98 98 GLU CG C 36.52 0.1 1 643 98 98 GLU N N 118.82 0.1 1 644 99 99 ALA H H 7.45 0.01 1 645 99 99 ALA HA H 4.02 0.01 1 646 99 99 ALA HB H 1.56 0.01 1 647 99 99 ALA C C 178.77 0.1 1 648 99 99 ALA CA C 55.49 0.1 1 649 99 99 ALA CB C 18.98 0.1 1 650 99 99 ALA N N 121.43 0.1 1 651 100 100 ILE H H 7.74 0.01 1 652 100 100 ILE HA H 3.37 0.01 1 653 100 100 ILE HB H 1.92 0.01 1 654 100 100 ILE HG12 H 0.65 0.01 2 655 100 100 ILE HG2 H 0.92 0.01 1 656 100 100 ILE HD1 H 0.50 0.01 1 657 100 100 ILE C C 177.51 0.1 1 658 100 100 ILE CA C 66.00 0.1 1 659 100 100 ILE CB C 38.14 0.1 1 660 100 100 ILE CG1 C 29.89 0.1 1 661 100 100 ILE CG2 C 17.38 0.1 1 662 100 100 ILE CD1 C 13.88 0.1 1 663 100 100 ILE N N 118.72 0.1 1 664 101 101 ASN H H 8.20 0.01 1 665 101 101 ASN HA H 4.49 0.01 1 666 101 101 ASN HB2 H 2.86 0.01 2 667 101 101 ASN HB3 H 2.76 0.01 2 668 101 101 ASN HD21 H 7.40 0.01 2 669 101 101 ASN HD22 H 6.72 0.01 2 670 101 101 ASN C C 178.96 0.1 1 671 101 101 ASN CA C 56.03 0.1 1 672 101 101 ASN CB C 37.35 0.1 1 673 101 101 ASN N N 117.90 0.1 1 674 101 101 ASN ND2 N 112.16 0.1 1 675 102 102 HIS H H 8.30 0.01 1 676 102 102 HIS HA H 4.43 0.01 1 677 102 102 HIS HB2 H 3.11 0.01 2 678 102 102 HIS HB3 H 2.92 0.01 2 679 102 102 HIS HD2 H 6.84 0.01 1 680 102 102 HIS HE1 H 7.91 0.01 1 681 102 102 HIS C C 177.81 0.1 1 682 102 102 HIS CA C 59.23 0.1 1 683 102 102 HIS CB C 30.11 0.1 1 684 102 102 HIS CD2 C 119.51 0.1 1 685 102 102 HIS CE1 C 138.12 0.1 1 686 102 102 HIS N N 121.36 0.1 1 687 103 103 ALA H H 8.44 0.01 1 688 103 103 ALA HA H 3.99 0.01 1 689 103 103 ALA HB H 1.46 0.01 1 690 103 103 ALA C C 179.88 0.1 1 691 103 103 ALA CA C 55.50 0.1 1 692 103 103 ALA CB C 17.89 0.1 1 693 103 103 ALA N N 123.52 0.1 1 694 104 104 LYS H H 8.81 0.01 1 695 104 104 LYS HA H 4.26 0.01 1 696 104 104 LYS HB2 H 2.08 0.01 2 697 104 104 LYS HB3 H 1.91 0.01 2 698 104 104 LYS HG2 H 1.59 0.01 2 699 104 104 LYS HD2 H 1.79 0.01 2 700 104 104 LYS HE2 H 3.09 0.01 2 701 104 104 LYS HE3 H 2.97 0.01 2 702 104 104 LYS C C 180.84 0.1 1 703 104 104 LYS CA C 59.20 0.1 1 704 104 104 LYS CB C 32.45 0.1 1 705 104 104 LYS CG C 25.74 0.1 1 706 104 104 LYS CD C 29.25 0.1 1 707 104 104 LYS CE C 41.96 0.1 1 708 104 104 LYS N N 118.10 0.1 1 709 105 105 ALA H H 7.88 0.01 1 710 105 105 ALA HA H 4.21 0.01 1 711 105 105 ALA HB H 1.57 0.01 1 712 105 105 ALA C C 178.66 0.1 1 713 105 105 ALA CA C 54.61 0.1 1 714 105 105 ALA CB C 17.99 0.1 1 715 105 105 ALA N N 122.73 0.1 1 716 106 106 ALA H H 7.39 0.01 1 717 106 106 ALA HA H 4.44 0.01 1 718 106 106 ALA HB H 1.52 0.01 1 719 106 106 ALA C C 176.17 0.1 1 720 106 106 ALA CA C 51.74 0.1 1 721 106 106 ALA CB C 19.57 0.1 1 722 106 106 ALA N N 119.04 0.1 1 723 107 107 ASN H H 8.00 0.01 1 724 107 107 ASN HA H 4.41 0.01 1 725 107 107 ASN HB2 H 3.27 0.01 2 726 107 107 ASN HB3 H 2.77 0.01 2 727 107 107 ASN HD21 H 7.48 0.01 2 728 107 107 ASN HD22 H 6.76 0.01 2 729 107 107 ASN C C 173.94 0.1 1 730 107 107 ASN CA C 54.08 0.1 1 731 107 107 ASN CB C 37.27 0.1 1 732 107 107 ASN N N 116.95 0.1 1 733 107 107 ASN ND2 N 113.00 0.1 1 734 108 108 VAL H H 7.66 0.01 1 735 108 108 VAL HA H 4.66 0.01 1 736 108 108 VAL HB H 2.04 0.01 1 737 108 108 VAL HG1 H 1.00 0.01 2 738 108 108 VAL HG2 H 0.89 0.01 2 739 108 108 VAL CA C 58.55 0.1 1 740 108 108 VAL CB C 33.00 0.1 1 741 108 108 VAL CG1 C 22.05 0.1 2 742 108 108 VAL CG2 C 20.72 0.1 2 743 108 108 VAL N N 117.10 0.1 1 744 109 109 PRO HA H 4.39 0.01 1 745 109 109 PRO HB2 H 2.31 0.01 2 746 109 109 PRO HB3 H 1.74 0.01 2 747 109 109 PRO HG2 H 1.94 0.01 2 748 109 109 PRO HD2 H 3.82 0.01 2 749 109 109 PRO HD3 H 4.26 0.01 2 750 109 109 PRO C C 174.53 0.1 1 751 109 109 PRO CA C 63.09 0.1 1 752 109 109 PRO CB C 32.85 0.1 1 753 109 109 PRO CG C 27.79 0.1 1 754 109 109 PRO CD C 50.77 0.1 1 755 110 110 ILE H H 7.67 0.01 1 756 110 110 ILE HA H 4.89 0.01 1 757 110 110 ILE HB H 1.53 0.01 1 758 110 110 ILE HG12 H 1.89 0.01 2 759 110 110 ILE HG13 H 0.54 0.01 2 760 110 110 ILE HG2 H 0.62 0.01 1 761 110 110 ILE HD1 H 0.93 0.01 1 762 110 110 ILE C C 176.10 0.1 1 763 110 110 ILE CA C 59.50 0.1 1 764 110 110 ILE CB C 42.24 0.1 1 765 110 110 ILE CG1 C 27.77 0.1 1 766 110 110 ILE CG2 C 18.56 0.1 1 767 110 110 ILE CD1 C 15.37 0.1 1 768 110 110 ILE N N 120.77 0.1 1 769 111 111 ILE H H 8.73 0.01 1 770 111 111 ILE HA H 4.32 0.01 1 771 111 111 ILE HB H 1.52 0.01 1 772 111 111 ILE HG12 H 1.54 0.01 2 773 111 111 ILE HG2 H 0.62 0.01 1 774 111 111 ILE HD1 H 0.67 0.01 1 775 111 111 ILE C C 175.15 0.1 1 776 111 111 ILE CA C 60.24 0.1 1 777 111 111 ILE CB C 41.06 0.1 1 778 111 111 ILE CG1 C 27.49 0.1 1 779 111 111 ILE CG2 C 16.59 0.1 1 780 111 111 ILE CD1 C 14.76 0.1 1 781 111 111 ILE N N 127.66 0.1 1 782 112 112 VAL H H 8.50 0.01 1 783 112 112 VAL HA H 4.22 0.01 1 784 112 112 VAL HB H 0.90 0.01 1 785 112 112 VAL HG1 H 0.25 0.01 2 786 112 112 VAL HG2 H 0.49 0.01 2 787 112 112 VAL C C 173.51 0.1 1 788 112 112 VAL CA C 62.11 0.1 1 789 112 112 VAL CB C 32.05 0.1 1 790 112 112 VAL CG1 C 22.02 0.1 2 791 112 112 VAL CG2 C 21.48 0.1 2 792 112 112 VAL N N 128.60 0.1 1 793 113 113 ALA H H 9.09 0.01 1 794 113 113 ALA HA H 4.98 0.01 1 795 113 113 ALA HB H 1.02 0.01 1 796 113 113 ALA C C 174.83 0.1 1 797 113 113 ALA CA C 49.24 0.1 1 798 113 113 ALA CB C 19.96 0.1 1 799 113 113 ALA N N 133.30 0.1 1 800 114 114 ILE H H 9.01 0.01 1 801 114 114 ILE HA H 4.65 0.01 1 802 114 114 ILE HB H 2.14 0.01 1 803 114 114 ILE HG12 H 1.74 0.01 2 804 114 114 ILE HG13 H 1.05 0.01 2 805 114 114 ILE HG2 H 1.02 0.01 1 806 114 114 ILE HD1 H 0.98 0.01 1 807 114 114 ILE C C 173.44 0.1 1 808 114 114 ILE CA C 60.66 0.1 1 809 114 114 ILE CB C 36.36 0.1 1 810 114 114 ILE CG1 C 27.20 0.1 1 811 114 114 ILE CG2 C 18.44 0.1 1 812 114 114 ILE CD1 C 13.68 0.1 1 813 114 114 ILE N N 126.03 0.1 1 814 115 115 ASN H H 8.49 0.01 1 815 115 115 ASN HA H 5.69 0.01 1 816 115 115 ASN HB2 H 2.43 0.01 2 817 115 115 ASN HD21 H 8.17 0.01 2 818 115 115 ASN HD22 H 7.67 0.01 2 819 115 115 ASN C C 175.25 0.1 1 820 115 115 ASN CA C 51.08 0.1 1 821 115 115 ASN CB C 43.00 0.1 1 822 115 115 ASN N N 125.17 0.1 1 823 115 115 ASN ND2 N 117.20 0.1 1 824 116 116 LYS H H 7.97 0.01 1 825 116 116 LYS HA H 4.40 0.01 1 826 116 116 LYS HB2 H 2.35 0.01 2 827 116 116 LYS HB3 H 1.57 0.01 2 828 116 116 LYS HG2 H 0.79 0.01 2 829 116 116 LYS HG3 H 0.65 0.01 2 830 116 116 LYS C C 176.89 0.1 1 831 116 116 LYS CA C 56.99 0.1 1 832 116 116 LYS CB C 29.05 0.1 1 833 116 116 LYS CG C 25.88 0.1 1 834 116 116 LYS CD C 31.05 0.1 1 835 116 116 LYS CE C 41.64 0.1 1 836 116 116 LYS N N 113.49 0.1 1 837 117 117 MET H H 7.87 0.01 1 838 117 117 MET HA H 4.31 0.01 1 839 117 117 MET HB2 H 2.06 0.01 2 840 117 117 MET HB3 H 1.61 0.01 2 841 117 117 MET HG2 H 2.67 0.01 2 842 117 117 MET HE H 2.04 0.01 1 843 117 117 MET C C 175.65 0.1 1 844 117 117 MET CA C 54.72 0.1 1 845 117 117 MET CB C 29.51 0.1 1 846 117 117 MET CG C 32.56 0.1 1 847 117 117 MET CE C 14.72 0.1 1 848 117 117 MET N N 114.17 0.1 1 849 118 118 ASP H H 9.17 0.01 1 850 118 118 ASP HA H 4.50 0.01 1 851 118 118 ASP HB2 H 2.75 0.01 2 852 118 118 ASP C C 176.16 0.1 1 853 118 118 ASP CA C 54.10 0.1 1 854 118 118 ASP CB C 41.45 0.1 1 855 118 118 ASP N N 114.94 0.1 1 856 119 119 LYS H H 7.54 0.01 1 857 119 119 LYS HA H 4.54 0.01 1 858 119 119 LYS HB2 H 2.20 0.01 2 859 119 119 LYS HB3 H 1.70 0.01 2 860 119 119 LYS HG2 H 1.78 0.01 2 861 119 119 LYS HG3 H 1.44 0.01 2 862 119 119 LYS HD2 H 2.20 0.01 2 863 119 119 LYS HE2 H 3.17 0.01 2 864 119 119 LYS CA C 55.48 0.1 1 865 119 119 LYS CB C 30.89 0.1 1 866 119 119 LYS CG C 26.41 0.1 1 867 119 119 LYS CD C 30.89 0.1 1 868 119 119 LYS CE C 41.92 0.1 1 869 119 119 LYS N N 122.13 0.1 1 870 120 120 PRO HA H 4.41 0.01 1 871 120 120 PRO HB2 H 2.46 0.01 2 872 120 120 PRO HB3 H 1.99 0.01 2 873 120 120 PRO HG2 H 2.19 0.01 2 874 120 120 PRO HD2 H 3.95 0.01 2 875 120 120 PRO HD3 H 3.93 0.01 2 876 120 120 PRO C C 177.90 0.1 1 877 120 120 PRO CA C 64.98 0.1 1 878 120 120 PRO CB C 31.82 0.1 1 879 120 120 PRO CG C 27.69 0.1 1 880 120 120 PRO CD C 50.67 0.1 1 881 121 121 GLU H H 8.77 0.01 1 882 121 121 GLU HA H 4.32 0.01 1 883 121 121 GLU HG2 H 2.30 0.01 1 884 121 121 GLU HG3 H 2.30 0.01 1 885 121 121 GLU C C 176.11 0.1 1 886 121 121 GLU CA C 56.56 0.1 1 887 121 121 GLU CB C 28.87 0.1 1 888 121 121 GLU CG C 36.49 0.1 1 889 121 121 GLU N N 115.19 0.1 1 890 122 122 ALA H H 7.70 0.01 1 891 122 122 ALA HA H 3.37 0.01 1 892 122 122 ALA HB H 1.57 0.01 1 893 122 122 ALA C C 177.37 0.1 1 894 122 122 ALA CA C 53.95 0.1 1 895 122 122 ALA CB C 19.48 0.1 1 896 122 122 ALA N N 123.39 0.1 1 897 123 123 ASN H H 7.96 0.01 1 898 123 123 ASN HA H 5.25 0.01 1 899 123 123 ASN HB2 H 3.40 0.01 2 900 123 123 ASN HB3 H 2.69 0.01 2 901 123 123 ASN HD21 H 7.73 0.01 2 902 123 123 ASN HD22 H 6.94 0.01 2 903 123 123 ASN CA C 49.91 0.1 1 904 123 123 ASN CB C 37.85 0.1 1 905 123 123 ASN N N 119.46 0.1 1 906 123 123 ASN ND2 N 112.58 0.1 1 907 124 124 PRO HA H 4.22 0.01 1 908 124 124 PRO HB2 H 2.28 0.01 2 909 124 124 PRO HB3 H 2.21 0.01 2 910 124 124 PRO HG2 H 2.04 0.01 2 911 124 124 PRO HD2 H 3.22 0.01 2 912 124 124 PRO HD3 H 4.23 0.01 2 913 124 124 PRO C C 177.01 0.1 1 914 124 124 PRO CA C 64.97 0.1 1 915 124 124 PRO CB C 31.94 0.1 1 916 124 124 PRO CG C 27.43 0.1 1 917 124 124 PRO CD C 50.27 0.1 1 918 125 125 ASP H H 8.33 0.01 1 919 125 125 ASP HA H 4.53 0.01 1 920 125 125 ASP HB2 H 2.83 0.01 2 921 125 125 ASP C C 178.22 0.1 1 922 125 125 ASP CA C 58.25 0.1 1 923 125 125 ASP CB C 40.43 0.1 1 924 125 125 ASP N N 119.50 0.1 1 925 126 126 ARG H H 7.29 0.01 1 926 126 126 ARG HA H 4.18 0.01 1 927 126 126 ARG HB2 H 1.97 0.01 2 928 126 126 ARG HB3 H 1.90 0.01 2 929 126 126 ARG HG2 H 1.56 0.01 2 930 126 126 ARG HD2 H 3.22 0.01 2 931 126 126 ARG HD3 H 3.35 0.01 2 932 126 126 ARG C C 178.37 0.1 1 933 126 126 ARG CA C 58.92 0.1 1 934 126 126 ARG CB C 30.07 0.1 1 935 126 126 ARG CG C 27.13 0.1 1 936 126 126 ARG CD C 43.51 0.1 1 937 126 126 ARG N N 120.75 0.1 1 938 127 127 VAL H H 7.37 0.01 1 939 127 127 VAL HA H 3.86 0.01 1 940 127 127 VAL HB H 2.29 0.01 1 941 127 127 VAL HG1 H 1.15 0.01 2 942 127 127 VAL HG2 H 1.01 0.01 2 943 127 127 VAL C C 177.71 0.1 1 944 127 127 VAL CA C 66.44 0.1 1 945 127 127 VAL CB C 31.63 0.1 1 946 127 127 VAL CG1 C 23.56 0.1 2 947 127 127 VAL CG2 C 22.47 0.1 2 948 127 127 VAL N N 119.08 0.1 1 949 128 128 MET H H 8.40 0.01 1 950 128 128 MET HA H 3.88 0.01 1 951 128 128 MET HB2 H 2.68 0.01 2 952 128 128 MET HB3 H 1.88 0.01 2 953 128 128 MET HG2 H 2.09 0.01 2 954 128 128 MET HG3 H 1.40 0.01 2 955 128 128 MET HE H 1.33 0.01 1 956 128 128 MET C C 177.53 0.1 1 957 128 128 MET CA C 60.90 0.1 1 958 128 128 MET CB C 33.37 0.1 1 959 128 128 MET CG C 33.32 0.1 1 960 128 128 MET CE C 16.35 0.1 1 961 128 128 MET N N 119.51 0.1 1 962 129 129 GLN H H 8.18 0.01 1 963 129 129 GLN HA H 4.29 0.01 1 964 129 129 GLN HB2 H 2.49 0.01 2 965 129 129 GLN HB3 H 2.35 0.01 2 966 129 129 GLN HG2 H 2.76 0.01 2 967 129 129 GLN HG3 H 2.55 0.01 2 968 129 129 GLN C C 179.41 0.1 1 969 129 129 GLN CA C 59.67 0.1 1 970 129 129 GLN CB C 28.30 0.1 1 971 129 129 GLN CG C 34.18 0.1 1 972 129 129 GLN N N 118.50 0.1 1 973 130 130 GLU H H 8.36 0.01 1 974 130 130 GLU HA H 4.24 0.01 1 975 130 130 GLU HB2 H 2.16 0.01 2 976 130 130 GLU HG2 H 2.84 0.01 2 977 130 130 GLU HG3 H 2.43 0.01 2 978 130 130 GLU C C 180.43 0.1 1 979 130 130 GLU CA C 59.66 0.1 1 980 130 130 GLU CB C 30.11 0.1 1 981 130 130 GLU CG C 36.64 0.1 1 982 130 130 GLU N N 120.61 0.1 1 983 131 131 LEU H H 8.38 0.01 1 984 131 131 LEU HA H 4.45 0.01 1 985 131 131 LEU HB2 H 2.35 0.01 2 986 131 131 LEU HB3 H 1.95 0.01 2 987 131 131 LEU HG H 1.91 0.01 1 988 131 131 LEU HD1 H 0.99 0.01 2 989 131 131 LEU HD2 H 0.89 0.01 2 990 131 131 LEU C C 179.52 0.1 1 991 131 131 LEU CA C 57.92 0.1 1 992 131 131 LEU CB C 41.20 0.1 1 993 131 131 LEU CG C 27.46 0.1 1 994 131 131 LEU CD1 C 28.74 0.1 2 995 131 131 LEU CD2 C 24.81 0.1 2 996 131 131 LEU N N 119.70 0.1 1 997 132 132 MET H H 8.15 0.01 1 998 132 132 MET HA H 4.09 0.01 1 999 132 132 MET HB2 H 3.17 0.01 2 1000 132 132 MET HB3 H 2.83 0.01 2 1001 132 132 MET HG2 H 2.47 0.01 2 1002 132 132 MET HE H 2.24 0.01 1 1003 132 132 MET C C 179.78 0.1 1 1004 132 132 MET CA C 59.76 0.1 1 1005 132 132 MET CB C 32.33 0.1 1 1006 132 132 MET CG C 32.82 0.1 1 1007 132 132 MET CE C 16.63 0.1 1 1008 132 132 MET N N 122.34 0.1 1 1009 133 133 GLU H H 7.54 0.01 1 1010 133 133 GLU HA H 4.09 0.01 1 1011 133 133 GLU HB2 H 2.01 0.01 2 1012 133 133 GLU HB3 H 1.84 0.01 2 1013 133 133 GLU HG2 H 2.33 0.01 2 1014 133 133 GLU HG3 H 2.17 0.01 2 1015 133 133 GLU C C 176.69 0.1 1 1016 133 133 GLU CA C 58.16 0.1 1 1017 133 133 GLU CB C 28.98 0.1 1 1018 133 133 GLU CG C 35.99 0.1 1 1019 133 133 GLU N N 120.01 0.1 1 1020 134 134 TYR H H 7.53 0.01 1 1021 134 134 TYR HA H 4.53 0.01 1 1022 134 134 TYR HB2 H 3.55 0.01 2 1023 134 134 TYR HB3 H 2.70 0.01 2 1024 134 134 TYR HD1 H 7.27 0.01 3 1025 134 134 TYR HE1 H 6.82 0.01 3 1026 134 134 TYR C C 174.62 0.1 1 1027 134 134 TYR CA C 57.98 0.1 1 1028 134 134 TYR CB C 38.08 0.1 1 1029 134 134 TYR CD1 C 132.99 0.1 3 1030 134 134 TYR CE1 C 118.41 0.1 3 1031 134 134 TYR N N 118.37 0.1 1 1032 135 135 ASN H H 8.00 0.01 1 1033 135 135 ASN HA H 4.30 0.01 1 1034 135 135 ASN HB2 H 3.26 0.01 2 1035 135 135 ASN HB3 H 2.90 0.01 2 1036 135 135 ASN HD21 H 7.53 0.01 2 1037 135 135 ASN HD22 H 6.83 0.01 2 1038 135 135 ASN C C 174.01 0.1 1 1039 135 135 ASN CA C 54.80 0.1 1 1040 135 135 ASN CB C 36.94 0.1 1 1041 135 135 ASN N N 113.94 0.1 1 1042 135 135 ASN ND2 N 112.73 0.1 1 1043 136 136 LEU H H 7.36 0.01 1 1044 136 136 LEU HA H 4.81 0.01 1 1045 136 136 LEU HB2 H 1.94 0.01 2 1046 136 136 LEU HB3 H 1.32 0.01 2 1047 136 136 LEU HG H 1.68 0.01 1 1048 136 136 LEU HD1 H 0.86 0.01 2 1049 136 136 LEU HD2 H 0.89 0.01 2 1050 136 136 LEU C C 173.43 0.1 1 1051 136 136 LEU CA C 53.85 0.1 1 1052 136 136 LEU CB C 41.39 0.1 1 1053 136 136 LEU CG C 26.71 0.1 1 1054 136 136 LEU CD1 C 26.78 0.1 2 1055 136 136 LEU CD2 C 24.57 0.1 2 1056 136 136 LEU N N 123.02 0.1 1 1057 137 137 VAL H H 8.01 0.01 1 1058 137 137 VAL HA H 4.50 0.01 1 1059 137 137 VAL HB H 2.23 0.01 1 1060 137 137 VAL HG1 H 1.10 0.01 2 1061 137 137 VAL CA C 59.20 0.1 1 1062 137 137 VAL CB C 33.58 0.1 1 1063 137 137 VAL CG1 C 20.96 0.1 2 1064 137 137 VAL N N 122.22 0.1 1 1065 138 138 PRO HA H 4.71 0.01 1 1066 138 138 PRO HB2 H 1.36 0.01 2 1067 138 138 PRO HB3 H 1.15 0.01 2 1068 138 138 PRO HG2 H 0.01 0.01 2 1069 138 138 PRO HG3 H 0.54 0.01 2 1070 138 138 PRO HD2 H 3.71 0.01 2 1071 138 138 PRO HD3 H 3.46 0.01 2 1072 138 138 PRO C C 179.90 0.1 1 1073 138 138 PRO CA C 62.55 0.1 1 1074 138 138 PRO CB C 31.93 0.1 1 1075 138 138 PRO CG C 25.98 0.1 1 1076 138 138 PRO CD C 51.01 0.1 1 1077 139 139 GLU H H 8.69 0.01 1 1078 139 139 GLU HA H 4.14 0.01 1 1079 139 139 GLU HB2 H 2.00 0.01 2 1080 139 139 GLU HG2 H 2.19 0.01 2 1081 139 139 GLU HG3 H 2.31 0.01 2 1082 139 139 GLU C C 180.14 0.1 1 1083 139 139 GLU CA C 59.16 0.1 1 1084 139 139 GLU CB C 29.98 0.1 1 1085 139 139 GLU CG C 36.22 0.1 1 1086 139 139 GLU N N 129.03 0.1 1 1087 140 140 GLU H H 9.99 0.01 1 1088 140 140 GLU HA H 4.28 0.01 1 1089 140 140 GLU HB2 H 2.10 0.01 2 1090 140 140 GLU HG2 H 2.16 0.01 2 1091 140 140 GLU HG3 H 1.94 0.01 2 1092 140 140 GLU C C 176.87 0.1 1 1093 140 140 GLU CA C 58.70 0.1 1 1094 140 140 GLU CB C 28.99 0.1 1 1095 140 140 GLU CG C 36.22 0.1 1 1096 140 140 GLU N N 119.87 0.1 1 1097 141 141 TRP H H 7.63 0.01 1 1098 141 141 TRP HA H 5.24 0.01 1 1099 141 141 TRP HB2 H 3.66 0.01 2 1100 141 141 TRP HB3 H 2.96 0.01 2 1101 141 141 TRP HD1 H 6.92 0.01 1 1102 141 141 TRP HE1 H 10.09 0.01 1 1103 141 141 TRP HE3 H 7.67 0.01 1 1104 141 141 TRP HZ2 H 7.52 0.01 1 1105 141 141 TRP HZ3 H 6.92 0.01 1 1106 141 141 TRP HH2 H 7.28 0.01 1 1107 141 141 TRP C C 175.75 0.1 1 1108 141 141 TRP CA C 53.81 0.1 1 1109 141 141 TRP CB C 29.32 0.1 1 1110 141 141 TRP CD1 C 123.71 0.1 1 1111 141 141 TRP CE3 C 120.45 0.1 1 1112 141 141 TRP CZ2 C 114.75 0.1 1 1113 141 141 TRP CZ3 C 121.45 0.1 1 1114 141 141 TRP CH2 C 125.04 0.1 1 1115 141 141 TRP N N 120.58 0.1 1 1116 141 141 TRP NE1 N 128.97 0.1 1 1117 142 142 GLY H H 8.02 0.01 1 1118 142 142 GLY HA2 H 3.93 0.01 2 1119 142 142 GLY HA3 H 4.42 0.01 2 1120 142 142 GLY C C 174.94 0.1 1 1121 142 142 GLY CA C 45.35 0.1 1 1122 142 142 GLY N N 108.54 0.1 1 1123 143 143 GLY H H 7.98 0.01 1 1124 143 143 GLY HA2 H 3.63 0.01 2 1125 143 143 GLY HA3 H 4.49 0.01 2 1126 143 143 GLY C C 172.90 0.1 1 1127 143 143 GLY CA C 43.77 0.1 1 1128 143 143 GLY N N 109.89 0.1 1 1129 144 144 ASP H H 7.84 0.01 1 1130 144 144 ASP HA H 4.99 0.01 1 1131 144 144 ASP HB2 H 2.98 0.01 2 1132 144 144 ASP HB3 H 2.75 0.01 2 1133 144 144 ASP C C 176.63 0.1 1 1134 144 144 ASP CA C 53.06 0.1 1 1135 144 144 ASP CB C 42.20 0.1 1 1136 144 144 ASP N N 117.20 0.1 1 1137 145 145 THR H H 8.32 0.01 1 1138 145 145 THR HA H 4.72 0.01 1 1139 145 145 THR HB H 3.91 0.01 1 1140 145 145 THR HG2 H 1.12 0.01 1 1141 145 145 THR C C 173.38 0.1 1 1142 145 145 THR CA C 63.24 0.1 1 1143 145 145 THR CB C 70.52 0.1 1 1144 145 145 THR CG2 C 22.33 0.1 1 1145 145 145 THR N N 119.40 0.1 1 1146 146 146 ILE H H 9.67 0.01 1 1147 146 146 ILE HA H 4.14 0.01 1 1148 146 146 ILE HB H 1.91 0.01 1 1149 146 146 ILE HG12 H 1.64 0.01 2 1150 146 146 ILE HG2 H 0.84 0.01 1 1151 146 146 ILE HD1 H 0.87 0.01 1 1152 146 146 ILE C C 174.42 0.1 1 1153 146 146 ILE CA C 62.15 0.1 1 1154 146 146 ILE CB C 38.10 0.1 1 1155 146 146 ILE CG1 C 27.92 0.1 1 1156 146 146 ILE CG2 C 18.36 0.1 1 1157 146 146 ILE CD1 C 13.44 0.1 1 1158 146 146 ILE N N 132.48 0.1 1 1159 147 147 PHE H H 9.04 0.01 1 1160 147 147 PHE HA H 5.40 0.01 1 1161 147 147 PHE HB2 H 3.30 0.01 2 1162 147 147 PHE HB3 H 2.43 0.01 2 1163 147 147 PHE HD1 H 7.23 0.01 3 1164 147 147 PHE HE1 H 6.90 0.01 3 1165 147 147 PHE HZ H 7.32 0.01 1 1166 147 147 PHE C C 176.38 0.1 1 1167 147 147 PHE CA C 55.53 0.1 1 1168 147 147 PHE CB C 41.97 0.1 1 1169 147 147 PHE CD1 C 131.24 0.1 3 1170 147 147 PHE CE1 C 131.05 0.1 3 1171 147 147 PHE CZ C 129.84 0.1 1 1172 147 147 PHE N N 129.28 0.1 1 1173 148 148 CYS H H 9.49 0.01 1 1174 148 148 CYS HA H 4.93 0.01 1 1175 148 148 CYS HB2 H 3.50 0.01 2 1176 148 148 CYS HB3 H 2.62 0.01 2 1177 148 148 CYS C C 173.18 0.1 1 1178 148 148 CYS CA C 57.77 0.1 1 1179 148 148 CYS CB C 30.15 0.1 1 1180 148 148 CYS N N 122.26 0.1 1 1181 149 149 LYS H H 9.18 0.01 1 1182 149 149 LYS HA H 5.00 0.01 1 1183 149 149 LYS HB2 H 1.91 0.01 2 1184 149 149 LYS HG2 H 1.51 0.01 2 1185 149 149 LYS HD2 H 1.78 0.01 2 1186 149 149 LYS HE2 H 3.02 0.01 2 1187 149 149 LYS C C 175.88 0.1 1 1188 149 149 LYS CA C 56.10 0.1 1 1189 149 149 LYS CB C 32.95 0.1 1 1190 149 149 LYS CG C 25.81 0.1 1 1191 149 149 LYS CD C 29.75 0.1 1 1192 149 149 LYS CE C 41.45 0.1 1 1193 149 149 LYS N N 126.44 0.1 1 1194 150 150 LEU H H 9.47 0.01 1 1195 150 150 LEU HA H 4.99 0.01 1 1196 150 150 LEU HB2 H 1.80 0.01 2 1197 150 150 LEU HG H 1.68 0.01 1 1198 150 150 LEU HD1 H 0.76 0.01 2 1199 150 150 LEU HD2 H 0.75 0.01 2 1200 150 150 LEU C C 174.74 0.1 1 1201 150 150 LEU CA C 55.13 0.1 1 1202 150 150 LEU CB C 44.72 0.1 1 1203 150 150 LEU CG C 26.22 0.1 1 1204 150 150 LEU CD1 C 26.75 0.1 2 1205 150 150 LEU CD2 C 26.22 0.1 2 1206 150 150 LEU N N 125.85 0.1 1 1207 151 151 SER H H 8.26 0.01 1 1208 151 151 SER HA H 5.15 0.01 1 1209 151 151 SER HB2 H 4.32 0.01 2 1210 151 151 SER HB3 H 3.86 0.01 2 1211 151 151 SER C C 175.25 0.1 1 1212 151 151 SER CA C 56.59 0.1 1 1213 151 151 SER CB C 64.62 0.1 1 1214 151 151 SER N N 112.09 0.1 1 1215 152 152 ALA H H 9.83 0.01 1 1216 152 152 ALA HA H 3.89 0.01 1 1217 152 152 ALA HB H 1.56 0.01 1 1218 152 152 ALA C C 176.41 0.1 1 1219 152 152 ALA CA C 54.64 0.1 1 1220 152 152 ALA CB C 18.19 0.1 1 1221 152 152 ALA N N 134.02 0.1 1 1222 153 153 LYS H H 7.44 0.01 1 1223 153 153 LYS HA H 3.83 0.01 1 1224 153 153 LYS HB2 H 1.41 0.01 2 1225 153 153 LYS HB3 H 1.02 0.01 2 1226 153 153 LYS HG2 H 1.17 0.01 2 1227 153 153 LYS HD2 H 1.54 0.01 2 1228 153 153 LYS HE2 H 2.85 0.01 2 1229 153 153 LYS HE3 H 2.88 0.01 2 1230 153 153 LYS C C 177.38 0.1 1 1231 153 153 LYS CA C 58.05 0.1 1 1232 153 153 LYS CB C 34.23 0.1 1 1233 153 153 LYS CG C 24.55 0.1 1 1234 153 153 LYS CD C 29.33 0.1 1 1235 153 153 LYS CE C 41.83 0.1 1 1236 153 153 LYS N N 115.62 0.1 1 1237 154 154 THR H H 8.16 0.01 1 1238 154 154 THR HA H 4.30 0.01 1 1239 154 154 THR HB H 4.55 0.01 1 1240 154 154 THR HG2 H 1.23 0.01 1 1241 154 154 THR C C 176.35 0.1 1 1242 154 154 THR CA C 62.10 0.1 1 1243 154 154 THR CB C 69.66 0.1 1 1244 154 154 THR CG2 C 21.15 0.1 1 1245 154 154 THR N N 108.37 0.1 1 1246 155 155 LYS H H 8.02 0.01 1 1247 155 155 LYS HA H 3.71 0.01 1 1248 155 155 LYS HB2 H 1.66 0.01 2 1249 155 155 LYS HG2 H 1.35 0.01 2 1250 155 155 LYS HD2 H 2.11 0.01 2 1251 155 155 LYS HD3 H 2.43 0.01 2 1252 155 155 LYS HE2 H 2.98 0.01 2 1253 155 155 LYS C C 175.61 0.1 1 1254 155 155 LYS CA C 59.66 0.1 1 1255 155 155 LYS CB C 28.92 0.1 1 1256 155 155 LYS CG C 25.95 0.1 1 1257 155 155 LYS CD C 29.11 0.1 1 1258 155 155 LYS CE C 42.02 0.1 1 1259 155 155 LYS N N 115.85 0.1 1 1260 156 156 GLU H H 8.05 0.01 1 1261 156 156 GLU HA H 4.25 0.01 1 1262 156 156 GLU HB2 H 1.96 0.01 2 1263 156 156 GLU HG2 H 2.32 0.01 2 1264 156 156 GLU HG3 H 2.23 0.01 2 1265 156 156 GLU C C 177.01 0.1 1 1266 156 156 GLU CA C 57.97 0.1 1 1267 156 156 GLU CB C 29.98 0.1 1 1268 156 156 GLU CG C 36.34 0.1 1 1269 156 156 GLU N N 125.12 0.1 1 1270 157 157 GLY H H 8.96 0.01 1 1271 157 157 GLY HA2 H 4.08 0.01 2 1272 157 157 GLY HA3 H 4.56 0.01 2 1273 157 157 GLY C C 176.14 0.1 1 1274 157 157 GLY CA C 45.74 0.1 1 1275 157 157 GLY N N 114.09 0.1 1 1276 158 158 LEU H H 7.89 0.01 1 1277 158 158 LEU HA H 3.96 0.01 1 1278 158 158 LEU HB2 H 1.89 0.01 2 1279 158 158 LEU HB3 H 1.47 0.01 2 1280 158 158 LEU HG H 1.61 0.01 1 1281 158 158 LEU HD1 H 0.80 0.01 2 1282 158 158 LEU C C 177.76 0.1 1 1283 158 158 LEU CA C 58.29 0.1 1 1284 158 158 LEU CB C 42.23 0.1 1 1285 158 158 LEU CG C 27.22 0.1 1 1286 158 158 LEU CD1 C 25.11 0.1 2 1287 158 158 LEU N N 123.95 0.1 1 1288 159 159 ASP H H 8.53 0.01 1 1289 159 159 ASP HA H 4.36 0.01 1 1290 159 159 ASP HB2 H 2.79 0.01 2 1291 159 159 ASP HB3 H 2.75 0.01 2 1292 159 159 ASP C C 178.71 0.1 1 1293 159 159 ASP CA C 57.84 0.1 1 1294 159 159 ASP CB C 39.34 0.1 1 1295 159 159 ASP N N 119.27 0.1 1 1296 160 160 HIS H H 8.18 0.01 1 1297 160 160 HIS HA H 4.58 0.01 1 1298 160 160 HIS HB2 H 3.33 0.01 2 1299 160 160 HIS HD2 H 7.61 0.01 1 1300 160 160 HIS HE1 H 8.63 0.01 1 1301 160 160 HIS C C 176.36 0.1 1 1302 160 160 HIS CA C 58.46 0.1 1 1303 160 160 HIS CB C 28.29 0.1 1 1304 160 160 HIS CD2 C 120.66 0.1 1 1305 160 160 HIS CE1 C 137.32 0.1 1 1306 160 160 HIS N N 120.26 0.1 1 1307 161 161 LEU H H 7.44 0.01 1 1308 161 161 LEU HA H 4.29 0.01 1 1309 161 161 LEU HB2 H 2.30 0.01 2 1310 161 161 LEU HB3 H 1.47 0.01 2 1311 161 161 LEU HD1 H 0.92 0.01 2 1312 161 161 LEU HD2 H 0.88 0.01 2 1313 161 161 LEU C C 178.14 0.1 1 1314 161 161 LEU CA C 58.73 0.1 1 1315 161 161 LEU CB C 40.96 0.1 1 1316 161 161 LEU CG C 26.93 0.1 1 1317 161 161 LEU CD1 C 23.60 0.1 2 1318 161 161 LEU CD2 C 26.93 0.1 2 1319 161 161 LEU N N 120.44 0.1 1 1320 162 162 LEU H H 7.89 0.01 1 1321 162 162 LEU HA H 3.98 0.01 1 1322 162 162 LEU HB2 H 2.13 0.01 2 1323 162 162 LEU HB3 H 1.97 0.01 2 1324 162 162 LEU HG H 1.44 0.01 1 1325 162 162 LEU HD1 H 0.97 0.01 2 1326 162 162 LEU HD2 H 0.94 0.01 2 1327 162 162 LEU C C 178.38 0.1 1 1328 162 162 LEU CA C 58.59 0.1 1 1329 162 162 LEU CB C 41.02 0.1 1 1330 162 162 LEU CG C 27.12 0.1 1 1331 162 162 LEU CD1 C 25.59 0.1 2 1332 162 162 LEU CD2 C 23.14 0.1 2 1333 162 162 LEU N N 118.09 0.1 1 1334 163 163 GLU H H 8.00 0.01 1 1335 163 163 GLU HA H 3.93 0.01 1 1336 163 163 GLU HB2 H 2.24 0.01 2 1337 163 163 GLU HG2 H 2.48 0.01 2 1338 163 163 GLU HG3 H 2.27 0.01 2 1339 163 163 GLU C C 179.87 0.1 1 1340 163 163 GLU CA C 59.61 0.1 1 1341 163 163 GLU CB C 29.27 0.1 1 1342 163 163 GLU CG C 36.46 0.1 1 1343 163 163 GLU N N 118.62 0.1 1 1344 164 164 MET H H 8.11 0.01 1 1345 164 164 MET HA H 4.59 0.01 1 1346 164 164 MET HB2 H 2.16 0.01 2 1347 164 164 MET HE H 2.05 0.01 1 1348 164 164 MET C C 178.11 0.1 1 1349 164 164 MET CA C 56.61 0.1 1 1350 164 164 MET CB C 32.82 0.1 1 1351 164 164 MET CE C 19.76 0.1 1 1352 164 164 MET N N 120.29 0.1 1 1353 165 165 ILE H H 8.16 0.01 1 1354 165 165 ILE HA H 3.41 0.01 1 1355 165 165 ILE HB H 2.14 0.01 1 1356 165 165 ILE HG12 H 2.01 0.01 2 1357 165 165 ILE HG13 H 0.79 0.01 2 1358 165 165 ILE HG2 H 0.73 0.01 1 1359 165 165 ILE HD1 H 1.01 0.01 1 1360 165 165 ILE CA C 65.92 0.1 1 1361 165 165 ILE CB C 37.85 0.1 1 1362 165 165 ILE CG1 C 29.33 0.1 1 1363 165 165 ILE CG2 C 17.63 0.1 1 1364 165 165 ILE CD1 C 15.33 0.1 1 1365 165 165 ILE N N 122.08 0.1 1 1366 166 166 LEU HA H 3.97 0.01 1 1367 166 166 LEU HB2 H 1.93 0.01 2 1368 166 166 LEU HB3 H 1.62 0.01 2 1369 166 166 LEU HG H 1.98 0.01 1 1370 166 166 LEU HD1 H 0.96 0.01 2 1371 166 166 LEU HD2 H 0.87 0.01 2 1372 166 166 LEU C C 179.36 0.1 1 1373 166 166 LEU CA C 57.87 0.1 1 1374 166 166 LEU CB C 41.16 0.1 1 1375 166 166 LEU CG C 27.17 0.1 1 1376 166 166 LEU CD1 C 25.17 0.1 2 1377 166 166 LEU CD2 C 23.32 0.1 2 1378 167 167 LEU H H 7.92 0.01 1 1379 167 167 LEU HA H 4.22 0.01 1 1380 167 167 LEU HB2 H 2.06 0.01 2 1381 167 167 LEU HB3 H 1.82 0.01 2 1382 167 167 LEU HG H 1.70 0.01 1 1383 167 167 LEU HD1 H 1.03 0.01 2 1384 167 167 LEU HD2 H 1.00 0.01 2 1385 167 167 LEU C C 179.40 0.1 1 1386 167 167 LEU CA C 58.60 0.1 1 1387 167 167 LEU CB C 42.20 0.1 1 1388 167 167 LEU CG C 27.20 0.1 1 1389 167 167 LEU CD1 C 24.31 0.1 2 1390 167 167 LEU CD2 C 24.87 0.1 2 1391 167 167 LEU N N 123.18 0.1 1 1392 168 168 VAL H H 8.46 0.01 1 1393 168 168 VAL HA H 3.75 0.01 1 1394 168 168 VAL HB H 2.11 0.01 1 1395 168 168 VAL HG1 H 1.11 0.01 2 1396 168 168 VAL HG2 H 0.94 0.01 2 1397 168 168 VAL C C 178.40 0.1 1 1398 168 168 VAL CA C 66.61 0.1 1 1399 168 168 VAL CB C 31.70 0.1 1 1400 168 168 VAL CG1 C 24.14 0.1 2 1401 168 168 VAL CG2 C 21.79 0.1 2 1402 168 168 VAL N N 120.79 0.1 1 1403 169 169 SER H H 8.27 0.01 1 1404 169 169 SER HA H 4.10 0.01 1 1405 169 169 SER HB2 H 3.97 0.01 2 1406 169 169 SER C C 175.93 0.1 1 1407 169 169 SER CA C 62.21 0.1 1 1408 169 169 SER CB C 62.68 0.1 1 1409 169 169 SER N N 115.67 0.1 1 1410 170 170 GLU H H 7.86 0.01 1 1411 170 170 GLU HA H 4.11 0.01 1 1412 170 170 GLU C C 178.40 0.1 1 1413 170 170 GLU CA C 58.66 0.1 1 1414 170 170 GLU N N 122.44 0.1 1 1415 171 171 MET H H 8.15 0.01 1 1416 171 171 MET HE H 2.18 0.01 1 1417 171 171 MET CE C 16.93 0.1 1 1418 171 171 MET N N 120.28 0.1 1 1419 172 172 GLU HA H 4.19 0.01 1 1420 172 172 GLU HB2 H 2.21 0.01 2 1421 172 172 GLU HG2 H 2.46 0.01 2 1422 172 172 GLU C C 178.41 0.1 1 1423 172 172 GLU CA C 58.29 0.1 1 1424 172 172 GLU CB C 29.84 0.1 1 1425 172 172 GLU CG C 36.40 0.1 1 1426 173 173 GLU H H 8.16 0.01 1 1427 173 173 GLU HA H 4.18 0.01 1 1428 173 173 GLU HG2 H 2.40 0.01 2 1429 173 173 GLU HG3 H 2.34 0.01 2 1430 173 173 GLU C C 177.69 0.1 1 1431 173 173 GLU CA C 57.96 0.1 1 1432 173 173 GLU CB C 29.84 0.1 1 1433 173 173 GLU CG C 36.48 0.1 1 1434 173 173 GLU N N 121.75 0.1 1 1435 174 174 LEU H H 7.84 0.01 1 1436 174 174 LEU HA H 4.31 0.01 1 1437 174 174 LEU HB2 H 1.83 0.01 2 1438 174 174 LEU HB3 H 1.70 0.01 2 1439 174 174 LEU HG H 1.82 0.01 1 1440 174 174 LEU HD1 H 1.00 0.01 2 1441 174 174 LEU HD2 H 0.95 0.01 2 1442 174 174 LEU C C 178.22 0.1 1 1443 174 174 LEU CA C 56.17 0.1 1 1444 174 174 LEU CB C 41.97 0.1 1 1445 174 174 LEU CG C 27.05 0.1 1 1446 174 174 LEU CD1 C 25.13 0.1 2 1447 174 174 LEU CD2 C 23.32 0.1 2 1448 174 174 LEU N N 121.09 0.1 1 1449 175 175 LYS H H 7.75 0.01 1 1450 175 175 LYS HA H 4.26 0.01 1 1451 175 175 LYS HB2 H 1.92 0.01 2 1452 175 175 LYS HG2 H 1.51 0.01 2 1453 175 175 LYS HG3 H 1.61 0.01 2 1454 175 175 LYS HD2 H 1.77 0.01 2 1455 175 175 LYS HE2 H 3.03 0.01 2 1456 175 175 LYS C C 176.55 0.1 1 1457 175 175 LYS CA C 57.06 0.1 1 1458 175 175 LYS CB C 32.94 0.1 1 1459 175 175 LYS CG C 25.07 0.1 1 1460 175 175 LYS CD C 29.50 0.1 1 1461 175 175 LYS CE C 41.96 0.1 1 1462 175 175 LYS N N 120.69 0.1 1 1463 176 176 ALA H H 7.84 0.01 1 1464 176 176 ALA HA H 4.33 0.01 1 1465 176 176 ALA HB H 1.46 0.01 1 1466 176 176 ALA C C 176.96 0.1 1 1467 176 176 ALA CA C 52.48 0.1 1 1468 176 176 ALA CB C 19.30 0.1 1 1469 176 176 ALA N N 123.74 0.1 1 1470 177 177 ASN H H 8.07 0.01 1 1471 177 177 ASN HA H 5.04 0.01 1 1472 177 177 ASN HB2 H 2.71 0.01 2 1473 177 177 ASN CA C 51.39 0.1 1 1474 177 177 ASN CB C 39.55 0.1 1 1475 177 177 ASN N N 119.61 0.1 1 1476 178 178 PRO HA H 4.30 0.01 1 1477 178 178 PRO HB2 H 1.98 0.01 2 1478 178 178 PRO HG2 H 2.04 0.01 2 1479 178 178 PRO HD2 H 3.72 0.01 2 1480 178 178 PRO CA C 65.05 0.1 1 1481 178 178 PRO CB C 32.17 0.1 1 1482 178 178 PRO CG C 27.17 0.1 1 1483 178 178 PRO CD C 50.26 0.1 1 stop_ save_