data_6529 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C and 15N resonances of the 2S albumin Ber e 1 from Brazilian nut ; _BMRB_accession_number 6529 _BMRB_flat_file_name bmr6529.str _Entry_type original _Submission_date 2005-03-03 _Accession_date 2005-03-03 _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 Tengel Tobias . . 2 Alcocer Marcos J.C. . 3 Schleucher Jurgen . . 4 Larsson Goran . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 706 "13C chemical shifts" 464 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-06 original author . stop_ _Original_release_date 2006-04-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Complete Assignment and Secondary Structure of the Brazil Nut Allergen Ber e 1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tengel Tobias . . 2 Alcocer Marcos J.C. . 3 Schleucher Jurgen . . 4 Larsson Goran . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 336 _Page_last 336 _Year 2005 _Details . loop_ _Keyword '2S Albumin' 'Ber e1' 'Brazilian nut' 'NMR assignment' 'secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ber e 1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ber e 1' $Ber_e_1 stop_ _System_molecular_weight 136000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details 'monomeric protein' save_ ######################## # Monomeric polymers # ######################## save_Ber_e_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '2S sulfur-rich seed storage protein from Brazil nut' _Molecular_mass 136000 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Storage protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; EAEAQEECREQMQRQQMLSH CRMYMRQQMEESTYQTMPRR GMEPHMSECCEQLEGMDESC RCEGLRMMMRMMQQKEMQPR GEQMRRMMRLAENIPSRCNL SPMRCPMGGSIAGF ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ALA 3 GLU 4 ALA 5 GLN 6 GLU 7 GLU 8 CYS 9 ARG 10 GLU 11 GLN 12 MET 13 GLN 14 ARG 15 GLN 16 GLN 17 MET 18 LEU 19 SER 20 HIS 21 CYS 22 ARG 23 MET 24 TYR 25 MET 26 ARG 27 GLN 28 GLN 29 MET 30 GLU 31 GLU 32 SER 33 THR 34 TYR 35 GLN 36 THR 37 MET 38 PRO 39 ARG 40 ARG 41 GLY 42 MET 43 GLU 44 PRO 45 HIS 46 MET 47 SER 48 GLU 49 CYS 50 CYS 51 GLU 52 GLN 53 LEU 54 GLU 55 GLY 56 MET 57 ASP 58 GLU 59 SER 60 CYS 61 ARG 62 CYS 63 GLU 64 GLY 65 LEU 66 ARG 67 MET 68 MET 69 MET 70 ARG 71 MET 72 MET 73 GLN 74 GLN 75 LYS 76 GLU 77 MET 78 GLN 79 PRO 80 ARG 81 GLY 82 GLU 83 GLN 84 MET 85 ARG 86 ARG 87 MET 88 MET 89 ARG 90 LEU 91 ALA 92 GLU 93 ASN 94 ILE 95 PRO 96 SER 97 ARG 98 CYS 99 ASN 100 LEU 101 SER 102 PRO 103 MET 104 ARG 105 CYS 106 PRO 107 MET 108 GLY 109 GLY 110 SER 111 ILE 112 ALA 113 GLY 114 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LVF "Solution Structure Of The Brazil Nut 2s Albumin Ber E 1" 100.00 114 100.00 100.00 1.07e-70 DBJ BAA96554 "2S albumin [Bertholletia excelsa]" 100.00 146 97.37 97.37 1.93e-69 GB ACI70207 "2S albumin precursor [Bertholletia excelsa]" 91.23 146 98.08 98.08 6.19e-62 PRF 1905414A "albumin 2S" 91.23 146 98.08 98.08 6.19e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ber_e_1 'Brazil nut' 3645 Eukaryota Viridiplantae Bertholletia excelsa 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 $Ber_e_1 'recombinant technology' 'picha pastoris' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1) ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ber_e_1 1 mM '[U-13C; U-15N]' 'Sodium phosphate buffer' 20 mM . 'Sodium azide' 1 mM . H2O 10 % . D2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 13C, 15N labeled Ber e 1 pH 5.8 D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ber_e_1 1 mM '[U-13C; U-15N]' 'Sodium phosphate buffer' 20 mM . 'Sodium azide' 1 mM . D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1) ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ber_e_1 1 mM [U-15N] 'Sodium phosphate buffer' 20 mM . 'Sodium azide' 1 mM . H2O 10 % . D2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 2.2 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'DRX (cryo probe)' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_13C-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _Sample_label . save_ save_15N-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _Sample_label . save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HACANH _Sample_label . save_ save_HBHACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_hCCCONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name hCCCONH _Sample_label . save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HccCONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HccCONH _Sample_label . save_ save_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_LRCH_10 _Saveframe_category NMR_applied_experiment _Experiment_name LRCH _Sample_label . save_ save_13C-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCANH _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HACANH _Saveframe_category NMR_applied_experiment _Experiment_name HACANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHACONH _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_hccCONH _Saveframe_category NMR_applied_experiment _Experiment_name hccCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNHA _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_LRCH _Saveframe_category NMR_applied_experiment _Experiment_name LRCH _BMRB_pulse_sequence_accession_number . _Details ; Vuister, G.W. and A. Bax, Measurement of two- and three-bond proton to methyl-carbon J couplings in proteins uniformly enriched with carbon-13. Journal of Magnetic Resonance, Series B, 1993. 102(2): p. 228-31. ; save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'pH 5.8 at 303K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.05 pH temperature 303 0.05 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details ; All spectra were referenced to H20 at 4.7 ppm at 303K. 15N and 13C were referenced according to the magnetogyric ratios 13C/1H=0.25144953 and 15N/1H=0.101329118 [Wishart, 1995]. ; 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 H2O C 13 protons ppm 4.70 external indirect . . . 0.25144953 H2O H 1 protons ppm 4.70 internal direct . . . 1.0 H2O N 15 protons ppm 4.70 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRDraw stop_ loop_ _Experiment_label 13C-NOESY 15N-NOESY CBCACONH CBCANH HACANH HBHACONH hccCONH HNCO HNHA LRCH stop_ loop_ _Sample_label $sample_2 $sample_3 $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Ber e 1' _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 GLU HA H 4.030 0.01 1 2 1 1 GLU HB2 H 2.099 0.01 1 3 1 1 GLU HB3 H 2.099 0.01 1 4 1 1 GLU HG2 H 2.385 0.01 1 5 1 1 GLU HG3 H 2.385 0.01 1 6 1 1 GLU C C 172.521 0.1 1 7 1 1 GLU CA C 55.851 0.05 1 8 1 1 GLU CB C 30.276 0.1 1 9 1 1 GLU CG C 34.740 0.1 1 10 2 2 ALA H H 8.745 0.01 1 11 2 2 ALA HA H 4.343 0.01 1 12 2 2 ALA HB H 1.401 0.01 1 13 2 2 ALA C C 177.318 0.1 1 14 2 2 ALA CA C 52.720 0.05 1 15 2 2 ALA CB C 19.241 0.1 1 16 2 2 ALA N N 125.522 0.1 1 17 3 3 GLU H H 8.563 0.01 1 18 3 3 GLU HA H 4.238 0.01 1 19 3 3 GLU HB2 H 1.950 0.01 2 20 3 3 GLU HB3 H 2.059 0.01 2 21 3 3 GLU HG2 H 2.317 0.01 1 22 3 3 GLU HG3 H 2.317 0.01 1 23 3 3 GLU C C 176.497 0.1 1 24 3 3 GLU CA C 56.894 0.05 1 25 3 3 GLU CB C 30.098 0.1 1 26 3 3 GLU CG C 36.171 0.1 1 27 3 3 GLU N N 120.928 0.1 1 28 4 4 ALA H H 8.356 0.01 1 29 4 4 ALA HA H 4.318 0.01 1 30 4 4 ALA HB H 1.391 0.01 1 31 4 4 ALA C C 177.933 0.1 1 32 4 4 ALA CA C 52.820 0.05 1 33 4 4 ALA CB C 19.436 0.1 1 34 4 4 ALA N N 124.702 0.1 1 35 5 5 GLN H H 8.580 0.01 1 36 5 5 GLN HA H 4.281 0.01 1 37 5 5 GLN HB2 H 2.054 0.01 2 38 5 5 GLN HB3 H 2.162 0.01 2 39 5 5 GLN HG2 H 2.404 0.01 1 40 5 5 GLN HG3 H 2.404 0.01 1 41 5 5 GLN HE21 H 7.605 0.01 2 42 5 5 GLN HE22 H 6.800 0.01 2 43 5 5 GLN C C 177.135 0.1 1 44 5 5 GLN CA C 56.666 0.05 1 45 5 5 GLN CB C 29.323 0.1 1 46 5 5 GLN CG C 34.156 0.1 1 47 5 5 GLN N N 119.616 0.1 1 48 5 5 GLN NE2 N 112.239 0.1 1 49 6 6 GLU H H 8.551 0.01 1 50 6 6 GLU HA H 4.159 0.01 1 51 6 6 GLU HB2 H 2.074 0.01 1 52 6 6 GLU HB3 H 2.074 0.01 1 53 6 6 GLU HG2 H 2.341 0.01 1 54 6 6 GLU HG3 H 2.341 0.01 1 55 6 6 GLU C C 177.961 0.1 1 56 6 6 GLU CA C 58.305 0.05 1 57 6 6 GLU CB C 29.645 0.1 1 58 6 6 GLU CG C 35.857 0.1 1 59 6 6 GLU N N 122.897 0.1 1 60 7 7 GLU H H 8.805 0.01 1 61 7 7 GLU HA H 4.240 0.01 1 62 7 7 GLU HB2 H 2.095 0.01 1 63 7 7 GLU HB3 H 2.095 0.01 1 64 7 7 GLU HG2 H 2.355 0.01 1 65 7 7 GLU HG3 H 2.355 0.01 1 66 7 7 GLU C C 178.661 0.1 1 67 7 7 GLU CA C 58.855 0.05 1 68 7 7 GLU CB C 29.109 0.1 1 69 7 7 GLU CG C 35.836 0.1 1 70 7 7 GLU N N 121.092 0.1 1 71 8 8 CYS H H 8.230 0.01 1 72 8 8 CYS HA H 4.567 0.01 1 73 8 8 CYS HB2 H 2.921 0.01 1 74 8 8 CYS HB3 H 2.921 0.01 1 75 8 8 CYS C C 177.433 0.1 1 76 8 8 CYS CA C 54.954 0.05 1 77 8 8 CYS CB C 33.009 0.1 1 78 8 8 CYS N N 116.012 0.1 1 79 9 9 ARG H H 8.316 0.01 1 80 9 9 ARG HA H 3.875 0.01 1 81 9 9 ARG HB2 H 1.950 0.01 1 82 9 9 ARG HB3 H 1.950 0.01 1 83 9 9 ARG HG2 H 1.556 0.01 2 84 9 9 ARG HG3 H 1.690 0.01 2 85 9 9 ARG HD2 H 3.224 0.01 1 86 9 9 ARG HD3 H 3.224 0.01 1 87 9 9 ARG C C 178.500 0.1 1 88 9 9 ARG CA C 60.297 0.05 1 89 9 9 ARG CB C 29.608 0.1 1 90 9 9 ARG CG C 27.583 0.1 1 91 9 9 ARG CD C 43.330 0.1 1 92 9 9 ARG N N 122.322 0.1 1 93 10 10 GLU H H 8.053 0.01 1 94 10 10 GLU HA H 4.099 0.01 1 95 10 10 GLU HB2 H 2.166 0.01 2 96 10 10 GLU HB3 H 2.217 0.01 2 97 10 10 GLU HG2 H 2.329 0.01 2 98 10 10 GLU HG3 H 2.422 0.01 2 99 10 10 GLU C C 179.658 0.1 1 100 10 10 GLU CA C 59.522 0.05 1 101 10 10 GLU CB C 28.966 0.1 1 102 10 10 GLU CG C 36.052 0.1 1 103 10 10 GLU N N 120.265 0.1 1 104 11 11 GLN H H 8.017 0.01 1 105 11 11 GLN HA H 3.951 0.01 1 106 11 11 GLN HB2 H 2.016 0.01 2 107 11 11 GLN HB3 H 2.221 0.01 2 108 11 11 GLN HG2 H 2.793 0.01 2 109 11 11 GLN HG3 H 2.403 0.01 2 110 11 11 GLN HE21 H 7.426 0.01 2 111 11 11 GLN HE22 H 6.761 0.01 2 112 11 11 GLN C C 178.326 0.1 1 113 11 11 GLN CA C 59.987 0.05 1 114 11 11 GLN CB C 28.633 0.1 1 115 11 11 GLN CG C 34.568 0.1 1 116 11 11 GLN N N 119.117 0.1 1 117 11 11 GLN NE2 N 109.903 0.1 1 118 12 12 MET H H 8.114 0.01 1 119 12 12 MET HA H 4.030 0.01 1 120 12 12 MET HB2 H 2.156 0.01 2 121 12 12 MET HB3 H 2.322 0.01 2 122 12 12 MET HG2 H 2.687 0.01 1 123 12 12 MET HG3 H 2.687 0.01 1 124 12 12 MET HE H 1.904 0.01 1 125 12 12 MET C C 178.759 0.1 1 126 12 12 MET CA C 58.859 0.05 1 127 12 12 MET CB C 32.856 0.1 1 128 12 12 MET CG C 33.148 0.1 1 129 12 12 MET CE C 17.817 0.1 1 130 12 12 MET N N 118.796 0.1 1 131 13 13 GLN H H 8.025 0.01 1 132 13 13 GLN HA H 4.010 0.01 1 133 13 13 GLN HB2 H 2.236 0.01 1 134 13 13 GLN HB3 H 2.236 0.01 1 135 13 13 GLN HG2 H 2.519 0.01 2 136 13 13 GLN HG3 H 2.335 0.01 2 137 13 13 GLN HE21 H 7.567 0.01 2 138 13 13 GLN HE22 H 6.974 0.01 2 139 13 13 GLN C C 179.769 0.1 1 140 13 13 GLN CA C 59.408 0.05 1 141 13 13 GLN CB C 28.196 0.1 1 142 13 13 GLN CG C 34.079 0.1 1 143 13 13 GLN N N 119.616 0.1 1 144 13 13 GLN NE2 N 110.737 0.1 1 145 14 14 ARG H H 8.111 0.01 1 146 14 14 ARG HA H 4.170 0.01 1 147 14 14 ARG HB2 H 2.073 0.01 1 148 14 14 ARG HB3 H 2.073 0.01 1 149 14 14 ARG HG2 H 1.820 0.01 1 150 14 14 ARG HG3 H 1.820 0.01 1 151 14 14 ARG HD2 H 3.287 0.01 1 152 14 14 ARG HD3 H 3.287 0.01 1 153 14 14 ARG C C 177.697 0.1 1 154 14 14 ARG CA C 59.259 0.05 1 155 14 14 ARG CB C 30.076 0.1 1 156 14 14 ARG CG C 27.596 0.1 1 157 14 14 ARG CD C 43.910 0.1 1 158 14 14 ARG N N 121.256 0.1 1 159 15 15 GLN H H 7.456 0.01 1 160 15 15 GLN HA H 4.678 0.01 1 161 15 15 GLN HB2 H 1.770 0.01 2 162 15 15 GLN HB3 H 2.531 0.01 2 163 15 15 GLN HG2 H 2.585 0.01 2 164 15 15 GLN HG3 H 2.493 0.01 2 165 15 15 GLN HE21 H 7.822 0.01 2 166 15 15 GLN HE22 H 6.977 0.01 2 167 15 15 GLN C C 175.332 0.1 1 168 15 15 GLN CA C 53.315 0.05 1 169 15 15 GLN CB C 27.409 0.1 1 170 15 15 GLN CG C 32.929 0.1 1 171 15 15 GLN N N 116.335 0.1 1 172 15 15 GLN NE2 N 110.694 0.1 1 173 16 16 GLN H H 7.671 0.01 1 174 16 16 GLN HA H 3.942 0.01 1 175 16 16 GLN HB2 H 2.198 0.01 2 176 16 16 GLN HB3 H 2.321 0.01 2 177 16 16 GLN HG2 H 2.369 0.01 1 178 16 16 GLN HG3 H 2.369 0.01 1 179 16 16 GLN HE21 H 7.548 0.01 2 180 16 16 GLN HE22 H 6.859 0.01 2 181 16 16 GLN C C 176.632 0.1 1 182 16 16 GLN CA C 56.670 0.05 1 183 16 16 GLN CB C 26.090 0.1 1 184 16 16 GLN CG C 34.333 0.1 1 185 16 16 GLN N N 112.570 0.1 1 186 16 16 GLN NE2 N 112.766 0.1 1 187 17 17 MET H H 8.834 0.01 1 188 17 17 MET HA H 3.844 0.01 1 189 17 17 MET HB2 H 2.030 0.01 2 190 17 17 MET HB3 H 2.195 0.01 2 191 17 17 MET HG2 H 2.633 0.01 1 192 17 17 MET HG3 H 2.633 0.01 1 193 17 17 MET HE H 1.954 0.01 1 194 17 17 MET C C 176.072 0.1 1 195 17 17 MET CA C 54.994 0.05 1 196 17 17 MET CB C 28.169 0.1 1 197 17 17 MET CG C 32.605 0.1 1 198 17 17 MET CE C 18.040 0.1 1 199 17 17 MET N N 110.792 0.1 1 200 18 18 LEU H H 8.066 0.01 1 201 18 18 LEU HA H 3.921 0.01 1 202 18 18 LEU HB2 H 1.209 0.01 2 203 18 18 LEU HB3 H 2.116 0.01 2 204 18 18 LEU HG H 1.593 0.01 1 205 18 18 LEU HD1 H 0.900 0.01 2 206 18 18 LEU HD2 H 0.790 0.01 2 207 18 18 LEU C C 179.128 0.1 1 208 18 18 LEU CA C 55.155 0.05 1 209 18 18 LEU CB C 39.437 0.1 1 210 18 18 LEU CG C 26.965 0.1 1 211 18 18 LEU CD1 C 23.052 0.1 1 212 18 18 LEU CD2 C 25.772 0.1 1 213 18 18 LEU N N 111.161 0.1 1 214 19 19 SER H H 7.310 0.01 1 215 19 19 SER HA H 4.243 0.01 1 216 19 19 SER HB2 H 3.744 0.01 2 217 19 19 SER HB3 H 3.893 0.01 2 218 19 19 SER C C 177.252 0.1 1 219 19 19 SER CA C 61.743 0.05 1 220 19 19 SER CB C 61.904 0.1 1 221 19 19 SER N N 114.266 0.1 1 222 20 20 HIS H H 9.976 0.01 1 223 20 20 HIS HA H 4.451 0.01 1 224 20 20 HIS HB2 H 2.857 0.01 2 225 20 20 HIS HB3 H 3.354 0.01 2 226 20 20 HIS HD1 H 7.615 0.01 3 227 20 20 HIS HD2 H 7.615 0.01 3 228 20 20 HIS HE1 H 6.979 0.01 3 229 20 20 HIS HE2 H 6.979 0.01 3 230 20 20 HIS C C 178.765 0.1 1 231 20 20 HIS CA C 60.801 0.05 1 232 20 20 HIS CB C 29.926 0.1 1 233 20 20 HIS N N 122.661 0.1 1 234 21 21 CYS H H 7.768 0.01 1 235 21 21 CYS HA H 4.692 0.01 1 236 21 21 CYS HB2 H 3.544 0.01 2 237 21 21 CYS HB3 H 2.959 0.01 2 238 21 21 CYS C C 176.447 0.1 1 239 21 21 CYS CA C 57.305 0.05 1 240 21 21 CYS CB C 39.704 0.1 1 241 21 21 CYS N N 119.944 0.1 1 242 22 22 ARG H H 8.168 0.01 1 243 22 22 ARG HA H 4.080 0.01 1 244 22 22 ARG HB2 H 1.966 0.01 2 245 22 22 ARG HB3 H 1.829 0.01 2 246 22 22 ARG HG2 H 1.583 0.01 1 247 22 22 ARG HG3 H 1.583 0.01 1 248 22 22 ARG HD2 H 3.251 0.01 1 249 22 22 ARG HD3 H 3.251 0.01 1 250 22 22 ARG C C 178.354 0.1 1 251 22 22 ARG CA C 60.263 0.05 1 252 22 22 ARG CB C 29.857 0.1 1 253 22 22 ARG CG C 28.449 0.1 1 254 22 22 ARG CD C 43.739 0.1 1 255 22 22 ARG N N 122.241 0.1 1 256 23 23 MET H H 7.857 0.01 1 257 23 23 MET HA H 3.934 0.01 1 258 23 23 MET HB2 H 2.072 0.01 1 259 23 23 MET HB3 H 2.072 0.01 1 260 23 23 MET HG2 H 2.454 0.01 2 261 23 23 MET HG3 H 2.328 0.01 2 262 23 23 MET HE H 1.789 0.01 1 263 23 23 MET C C 178.507 0.1 1 264 23 23 MET CA C 59.085 0.05 1 265 23 23 MET CB C 32.416 0.1 1 266 23 23 MET CG C 32.475 0.1 1 267 23 23 MET CE C 18.412 0.1 1 268 23 23 MET N N 117.809 0.1 1 269 24 24 TYR H H 8.223 0.01 1 270 24 24 TYR HA H 4.388 0.01 1 271 24 24 TYR HB2 H 3.296 0.01 1 272 24 24 TYR HB3 H 3.296 0.01 1 273 24 24 TYR HD1 H 7.127 0.01 1 274 24 24 TYR HD2 H 7.127 0.01 1 275 24 24 TYR C C 176.841 0.1 1 276 24 24 TYR CA C 60.952 0.05 1 277 24 24 TYR CB C 37.960 0.1 1 278 24 24 TYR N N 120.974 0.1 1 279 25 25 MET H H 8.136 0.01 1 280 25 25 MET HA H 3.834 0.01 1 281 25 25 MET HB2 H 1.865 0.01 2 282 25 25 MET HB3 H 2.263 0.01 2 283 25 25 MET HG2 H 2.680 0.01 1 284 25 25 MET HG3 H 2.680 0.01 1 285 25 25 MET HE H 2.045 0.01 1 286 25 25 MET C C 178.299 0.1 1 287 25 25 MET CA C 57.137 0.05 1 288 25 25 MET CB C 31.281 0.1 1 289 25 25 MET CG C 32.527 0.1 1 290 25 25 MET CE C 18.412 0.1 1 291 25 25 MET N N 118.348 0.1 1 292 26 26 ARG H H 8.306 0.01 1 293 26 26 ARG HA H 3.862 0.01 1 294 26 26 ARG HB2 H 1.868 0.01 1 295 26 26 ARG HB3 H 1.868 0.01 1 296 26 26 ARG HG2 H 1.614 0.01 2 297 26 26 ARG HG3 H 1.754 0.01 2 298 26 26 ARG HD2 H 3.147 0.01 1 299 26 26 ARG HD3 H 3.147 0.01 1 300 26 26 ARG C C 178.829 0.1 1 301 26 26 ARG CA C 59.330 0.05 1 302 26 26 ARG CB C 29.880 0.1 1 303 26 26 ARG CG C 27.306 0.1 1 304 26 26 ARG CD C 43.218 0.1 1 305 26 26 ARG N N 118.274 0.1 1 306 27 27 GLN H H 7.811 0.01 1 307 27 27 GLN HA H 4.098 0.01 1 308 27 27 GLN HB2 H 2.252 0.01 1 309 27 27 GLN HB3 H 2.252 0.01 1 310 27 27 GLN HG2 H 2.511 0.01 2 311 27 27 GLN HG3 H 2.430 0.01 2 312 27 27 GLN HE21 H 7.366 0.01 2 313 27 27 GLN HE22 H 6.810 0.01 2 314 27 27 GLN C C 178.554 0.1 1 315 27 27 GLN CA C 58.726 0.05 1 316 27 27 GLN CB C 27.951 0.1 1 317 27 27 GLN CG C 34.207 0.1 1 318 27 27 GLN N N 117.900 0.1 1 319 27 27 GLN NE2 N 110.954 0.1 1 320 28 28 GLN H H 7.774 0.01 1 321 28 28 GLN HA H 3.956 0.01 1 322 28 28 GLN HB2 H 1.973 0.01 2 323 28 28 GLN HB3 H 1.761 0.01 2 324 28 28 GLN HG2 H 2.432 0.01 2 325 28 28 GLN HG3 H 2.045 0.01 2 326 28 28 GLN HE21 H 7.550 0.01 2 327 28 28 GLN HE22 H 6.947 0.01 2 328 28 28 GLN C C 178.185 0.1 1 329 28 28 GLN CA C 57.063 0.05 1 330 28 28 GLN CB C 28.581 0.1 1 331 28 28 GLN CG C 33.793 0.1 1 332 28 28 GLN N N 116.689 0.1 1 333 28 28 GLN NE2 N 112.238 0.1 1 334 29 29 MET H H 7.757 0.01 1 335 29 29 MET HA H 4.302 0.01 1 336 29 29 MET HB2 H 2.150 0.01 1 337 29 29 MET HB3 H 2.150 0.01 1 338 29 29 MET HG2 H 2.570 0.01 2 339 29 29 MET HG3 H 2.664 0.01 2 340 29 29 MET HE H 2.141 0.01 1 341 29 29 MET C C 177.510 0.1 1 342 29 29 MET CA C 56.971 0.05 1 343 29 29 MET CB C 30.198 0.1 1 344 29 29 MET CG C 32.426 0.1 1 345 29 29 MET CE C 18.412 0.1 1 346 29 29 MET N N 117.091 0.1 1 347 30 30 GLU H H 7.624 0.01 1 348 30 30 GLU HA H 4.264 0.01 1 349 30 30 GLU HB2 H 2.033 0.01 2 350 30 30 GLU HB3 H 2.133 0.01 2 351 30 30 GLU HG2 H 2.410 0.01 2 352 30 30 GLU HG3 H 2.228 0.01 2 353 30 30 GLU C C 177.010 0.1 1 354 30 30 GLU CA C 57.040 0.05 1 355 30 30 GLU CB C 30.195 0.1 1 356 30 30 GLU CG C 36.281 0.1 1 357 30 30 GLU CD C 177.010 0.1 1 358 30 30 GLU N N 118.887 0.1 1 359 31 31 GLU H H 8.000 0.01 1 360 31 31 GLU HA H 4.235 0.01 1 361 31 31 GLU HB2 H 1.991 0.01 2 362 31 31 GLU HB3 H 2.095 0.01 2 363 31 31 GLU HG2 H 2.325 0.01 1 364 31 31 GLU HG3 H 2.325 0.01 1 365 31 31 GLU C C 176.915 0.1 1 366 31 31 GLU CA C 57.102 0.05 1 367 31 31 GLU CB C 30.042 0.1 1 368 31 31 GLU CG C 36.281 0.1 1 369 31 31 GLU N N 120.325 0.1 1 370 32 32 SER H H 8.287 0.01 1 371 32 32 SER HA H 4.437 0.01 1 372 32 32 SER HB2 H 3.907 0.01 1 373 32 32 SER HB3 H 3.907 0.01 1 374 32 32 SER C C 175.107 0.1 1 375 32 32 SER CA C 59.138 0.05 1 376 32 32 SER CB C 63.695 0.1 1 377 32 32 SER N N 116.015 0.1 1 378 33 33 THR H H 7.963 0.01 1 379 33 33 THR HA H 4.242 0.01 1 380 33 33 THR HB H 4.133 0.01 1 381 33 33 THR HG2 H 1.100 0.01 1 382 33 33 THR C C 174.520 0.1 1 383 33 33 THR CA C 62.654 0.05 1 384 33 33 THR CB C 69.683 0.1 1 385 33 33 THR CG2 C 21.604 0.1 1 386 33 33 THR N N 114.867 0.1 1 387 34 34 TYR H H 7.956 0.01 1 388 34 34 TYR HA H 4.567 0.01 1 389 34 34 TYR HB2 H 3.096 0.01 2 390 34 34 TYR HB3 H 2.978 0.01 2 391 34 34 TYR HD1 H 7.116 0.01 1 392 34 34 TYR HD2 H 7.116 0.01 1 393 34 34 TYR HE1 H 6.815 0.01 1 394 34 34 TYR HE2 H 6.815 0.01 1 395 34 34 TYR C C 175.755 0.1 1 396 34 34 TYR CA C 58.129 0.05 1 397 34 34 TYR CB C 38.546 0.1 1 398 34 34 TYR N N 121.044 0.1 1 399 35 35 GLN H H 8.101 0.01 1 400 35 35 GLN HA H 4.384 0.01 1 401 35 35 GLN HB2 H 2.090 0.01 2 402 35 35 GLN HB3 H 1.970 0.01 2 403 35 35 GLN HG2 H 2.321 0.01 1 404 35 35 GLN HG3 H 2.321 0.01 1 405 35 35 GLN HE21 H 7.478 0.01 2 406 35 35 GLN HE22 H 6.854 0.01 2 407 35 35 GLN C C 175.846 0.1 1 408 35 35 GLN CA C 55.986 0.05 1 409 35 35 GLN CB C 29.588 0.1 1 410 35 35 GLN CG C 33.810 0.1 1 411 35 35 GLN N N 121.225 0.1 1 412 35 35 GLN NE2 N 112.233 0.1 1 413 36 36 THR H H 8.071 0.01 1 414 36 36 THR HA H 4.297 0.01 1 415 36 36 THR HB H 4.197 0.01 1 416 36 36 THR HG2 H 1.200 0.01 1 417 36 36 THR C C 174.364 0.1 1 418 36 36 THR CA C 61.945 0.05 1 419 36 36 THR CB C 69.875 0.1 1 420 36 36 THR CG2 C 21.798 0.1 1 421 36 36 THR N N 114.754 0.1 1 422 37 37 MET H H 8.205 0.01 1 423 37 37 MET HA H 4.807 0.01 1 424 37 37 MET HB2 H 2.007 0.01 2 425 37 37 MET HB3 H 2.115 0.01 2 426 37 37 MET HG2 H 2.585 0.01 2 427 37 37 MET HG3 H 2.635 0.01 2 428 37 37 MET HE H 2.126 0.01 1 429 37 37 MET CA C 53.425 0.05 1 430 37 37 MET CB C 32.609 0.1 1 431 37 37 MET CG C 31.984 0.1 1 432 37 37 MET CE C 18.487 0.1 1 433 37 37 MET N N 123.919 0.1 1 434 38 38 PRO HA H 4.424 0.01 1 435 38 38 PRO HB2 H 1.805 0.01 2 436 38 38 PRO HB3 H 2.300 0.01 2 437 38 38 PRO HG2 H 2.010 0.01 1 438 38 38 PRO HG3 H 2.010 0.01 1 439 38 38 PRO HD2 H 3.813 0.01 2 440 38 38 PRO HD3 H 3.682 0.01 2 441 38 38 PRO C C 176.575 0.1 1 442 38 38 PRO CA C 63.238 0.05 1 443 38 38 PRO CB C 32.231 0.1 1 444 38 38 PRO CG C 27.516 0.1 1 445 38 38 PRO CD C 50.783 0.1 1 446 39 39 ARG H H 8.354 0.01 1 447 39 39 ARG HA H 4.306 0.01 1 448 39 39 ARG HB2 H 1.831 0.01 2 449 39 39 ARG HB3 H 1.769 0.01 2 450 39 39 ARG HG2 H 1.624 0.01 1 451 39 39 ARG HG3 H 1.624 0.01 1 452 39 39 ARG HD2 H 3.188 0.01 1 453 39 39 ARG HD3 H 3.188 0.01 1 454 39 39 ARG C C 176.139 0.1 1 455 39 39 ARG CA C 55.995 0.05 1 456 39 39 ARG CB C 31.002 0.1 1 457 39 39 ARG CG C 27.039 0.1 1 458 39 39 ARG CD C 43.454 0.1 1 459 39 39 ARG N N 121.403 0.1 1 460 40 40 ARG H H 8.411 0.01 1 461 40 40 ARG HA H 4.341 0.01 1 462 40 40 ARG HB2 H 1.868 0.01 1 463 40 40 ARG HB3 H 1.868 0.01 1 464 40 40 ARG HG2 H 1.601 0.01 1 465 40 40 ARG HG3 H 1.601 0.01 1 466 40 40 ARG HD2 H 3.196 0.01 1 467 40 40 ARG HD3 H 3.196 0.01 1 468 40 40 ARG C C 176.530 0.1 1 469 40 40 ARG CA C 56.206 0.05 1 470 40 40 ARG CB C 30.946 0.1 1 471 40 40 ARG CG C 27.510 0.1 1 472 40 40 ARG CD C 43.449 0.1 1 473 40 40 ARG N N 122.405 0.1 1 474 41 41 GLY H H 8.354 0.01 1 475 41 41 GLY HA2 H 4.039 0.01 2 476 41 41 GLY HA3 H 3.889 0.01 2 477 41 41 GLY C C 173.654 0.1 1 478 41 41 GLY CA C 45.095 0.05 1 479 41 41 GLY N N 110.278 0.1 1 480 42 42 MET H H 8.178 0.01 1 481 42 42 MET HA H 4.454 0.01 1 482 42 42 MET HB2 H 2.015 0.01 1 483 42 42 MET HB3 H 2.015 0.01 1 484 42 42 MET HG2 H 2.615 0.01 2 485 42 42 MET HG3 H 2.532 0.01 2 486 42 42 MET HE H 2.071 0.01 1 487 42 42 MET C C 175.604 0.1 1 488 42 42 MET CA C 55.211 0.05 1 489 42 42 MET CB C 33.528 0.1 1 490 42 42 MET CG C 32.493 0.1 1 491 42 42 MET CE C 18.263 0.1 1 492 42 42 MET N N 119.430 0.1 1 493 43 43 GLU H H 9.342 0.01 1 494 43 43 GLU HA H 4.520 0.01 1 495 43 43 GLU HB2 H 2.035 0.01 1 496 43 43 GLU HB3 H 2.035 0.01 1 497 43 43 GLU HG2 H 2.502 0.01 1 498 43 43 GLU HG3 H 2.502 0.01 1 499 43 43 GLU CA C 55.503 0.05 1 500 43 43 GLU CB C 29.005 0.1 1 501 43 43 GLU CG C 36.081 0.1 1 502 43 43 GLU N N 124.210 0.1 1 503 44 44 PRO HA H 4.282 0.01 1 504 44 44 PRO HB2 H 1.971 0.01 2 505 44 44 PRO HB3 H 2.219 0.01 2 506 44 44 PRO HG2 H 2.243 0.01 1 507 44 44 PRO HG3 H 2.243 0.01 1 508 44 44 PRO HD2 H 3.670 0.01 1 509 44 44 PRO HD3 H 3.670 0.01 1 510 44 44 PRO C C 177.258 0.1 1 511 44 44 PRO CA C 64.715 0.05 1 512 44 44 PRO CB C 31.710 0.1 1 513 44 44 PRO CG C 27.967 0.1 1 514 44 44 PRO CD C 50.905 0.1 1 515 45 45 HIS H H 8.776 0.01 1 516 45 45 HIS HA H 4.297 0.01 1 517 45 45 HIS HB2 H 3.913 0.01 1 518 45 45 HIS HB3 H 3.913 0.01 1 519 45 45 HIS HE2 H 7.118 0.01 3 520 45 45 HIS C C 174.959 0.1 1 521 45 45 HIS CA C 60.044 0.05 1 522 45 45 HIS CB C 27.618 0.1 1 523 45 45 HIS N N 113.856 0.1 1 524 46 46 MET H H 8.101 0.01 1 525 46 46 MET HA H 3.923 0.01 1 526 46 46 MET HB2 H 1.744 0.01 2 527 46 46 MET HB3 H 2.185 0.01 2 528 46 46 MET HG2 H 2.338 0.01 2 529 46 46 MET HG3 H 2.088 0.01 2 530 46 46 MET HE H 1.550 0.01 1 531 46 46 MET C C 177.199 0.1 1 532 46 46 MET CA C 58.476 0.05 1 533 46 46 MET CB C 33.993 0.1 1 534 46 46 MET CG C 32.186 0.1 1 535 46 46 MET CE C 17.371 0.1 1 536 46 46 MET N N 121.905 0.1 1 537 47 47 SER H H 8.875 0.01 1 538 47 47 SER HA H 3.863 0.01 1 539 47 47 SER HB2 H 3.745 0.01 1 540 47 47 SER HB3 H 3.745 0.01 1 541 47 47 SER C C 177.499 0.1 1 542 47 47 SER CA C 62.763 0.05 1 543 47 47 SER CB C 62.158 0.1 1 544 47 47 SER N N 115.350 0.1 1 545 48 48 GLU H H 9.326 0.01 1 546 48 48 GLU HA H 3.782 0.01 1 547 48 48 GLU HB2 H 1.412 0.01 2 548 48 48 GLU HB3 H 0.974 0.01 2 549 48 48 GLU HG2 H 1.976 0.01 2 550 48 48 GLU HG3 H 1.891 0.01 2 551 48 48 GLU C C 179.023 0.1 1 552 48 48 GLU CA C 60.271 0.05 1 553 48 48 GLU CB C 28.356 0.1 1 554 48 48 GLU CG C 37.356 0.1 1 555 48 48 GLU N N 121.586 0.1 1 556 49 49 CYS H H 8.139 0.01 1 557 49 49 CYS HA H 4.606 0.01 1 558 49 49 CYS HB2 H 3.333 0.01 2 559 49 49 CYS HB3 H 2.959 0.01 2 560 49 49 CYS C C 175.813 0.1 1 561 49 49 CYS CA C 58.351 0.05 1 562 49 49 CYS CB C 37.764 0.1 1 563 49 49 CYS N N 119.786 0.1 1 564 50 50 CYS H H 8.695 0.01 1 565 50 50 CYS HA H 4.383 0.01 1 566 50 50 CYS HB2 H 2.944 0.01 2 567 50 50 CYS HB3 H 3.232 0.01 2 568 50 50 CYS C C 176.815 0.1 1 569 50 50 CYS CA C 55.835 0.05 1 570 50 50 CYS CB C 33.665 0.1 1 571 50 50 CYS N N 117.281 0.1 1 572 51 51 GLU H H 7.900 0.01 1 573 51 51 GLU HA H 4.035 0.01 1 574 51 51 GLU HB2 H 2.084 0.01 1 575 51 51 GLU HB3 H 2.084 0.01 1 576 51 51 GLU HG2 H 2.416 0.01 2 577 51 51 GLU HG3 H 2.206 0.01 2 578 51 51 GLU C C 179.538 0.1 1 579 51 51 GLU CA C 59.773 0.05 1 580 51 51 GLU CB C 29.570 0.1 1 581 51 51 GLU CG C 36.092 0.1 1 582 51 51 GLU N N 119.965 0.1 1 583 52 52 GLN H H 7.889 0.01 1 584 52 52 GLN HA H 4.129 0.01 1 585 52 52 GLN HB2 H 2.049 0.01 2 586 52 52 GLN HB3 H 2.734 0.01 2 587 52 52 GLN HG2 H 2.839 0.01 2 588 52 52 GLN HG3 H 2.490 0.01 2 589 52 52 GLN C C 178.776 0.1 1 590 52 52 GLN CA C 59.331 0.05 1 591 52 52 GLN CB C 29.343 0.1 1 592 52 52 GLN CG C 35.346 0.1 1 593 52 52 GLN N N 119.780 0.1 1 594 53 53 LEU H H 8.516 0.01 1 595 53 53 LEU HA H 3.959 0.01 1 596 53 53 LEU HB2 H 1.470 0.01 2 597 53 53 LEU HB3 H 1.682 0.01 2 598 53 53 LEU HG H 1.657 0.01 1 599 53 53 LEU HD1 H 0.947 0.01 2 600 53 53 LEU HD2 H 0.821 0.01 2 601 53 53 LEU C C 179.770 0.1 1 602 53 53 LEU CA C 57.618 0.05 1 603 53 53 LEU CB C 43.358 0.1 1 604 53 53 LEU CG C 26.890 0.1 1 605 53 53 LEU CD1 C 25.861 0.1 1 606 53 53 LEU CD2 C 23.244 0.1 1 607 53 53 LEU N N 118.960 0.1 1 608 54 54 GLU H H 8.737 0.01 1 609 54 54 GLU HA H 3.855 0.01 1 610 54 54 GLU HB2 H 2.104 0.01 2 611 54 54 GLU HB3 H 2.221 0.01 2 612 54 54 GLU HG2 H 2.333 0.01 1 613 54 54 GLU HG3 H 2.333 0.01 1 614 54 54 GLU C C 177.135 0.1 1 615 54 54 GLU CA C 58.601 0.05 1 616 54 54 GLU CB C 29.069 0.1 1 617 54 54 GLU CG C 35.940 0.1 1 618 54 54 GLU N N 120.272 0.1 1 619 55 55 GLY H H 7.292 0.01 1 620 55 55 GLY HA2 H 4.071 0.01 2 621 55 55 GLY HA3 H 3.668 0.01 2 622 55 55 GLY C C 174.458 0.1 1 623 55 55 GLY CA C 45.431 0.05 1 624 55 55 GLY N N 102.554 0.1 1 625 56 56 MET H H 7.531 0.01 1 626 56 56 MET HA H 4.534 0.01 1 627 56 56 MET HB2 H 2.052 0.01 2 628 56 56 MET HB3 H 2.126 0.01 2 629 56 56 MET HG2 H 2.271 0.01 2 630 56 56 MET HG3 H 2.767 0.01 2 631 56 56 MET HE H 1.947 0.01 1 632 56 56 MET C C 175.006 0.1 1 633 56 56 MET CA C 54.675 0.05 1 634 56 56 MET CB C 34.917 0.1 1 635 56 56 MET CG C 32.660 0.1 1 636 56 56 MET CE C 18.115 0.1 1 637 56 56 MET N N 119.452 0.1 1 638 57 57 ASP H H 8.911 0.01 1 639 57 57 ASP HA H 4.463 0.01 1 640 57 57 ASP HB2 H 2.735 0.01 2 641 57 57 ASP HB3 H 2.634 0.01 2 642 57 57 ASP C C 178.444 0.1 1 643 57 57 ASP CA C 54.896 0.05 1 644 57 57 ASP CB C 42.148 0.1 1 645 57 57 ASP N N 121.694 0.1 1 646 58 58 GLU H H 9.131 0.01 1 647 58 58 GLU HA H 3.612 0.01 1 648 58 58 GLU HB2 H 2.000 0.01 2 649 58 58 GLU HB3 H 2.132 0.01 2 650 58 58 GLU HG2 H 2.152 0.01 1 651 58 58 GLU HG3 H 2.152 0.01 1 652 58 58 GLU C C 178.202 0.1 1 653 58 58 GLU CA C 60.981 0.05 1 654 58 58 GLU CB C 29.943 0.1 1 655 58 58 GLU CG C 35.780 0.1 1 656 58 58 GLU N N 124.274 0.1 1 657 59 59 SER H H 8.579 0.01 1 658 59 59 SER HA H 4.320 0.01 1 659 59 59 SER HB2 H 4.058 0.01 2 660 59 59 SER HB3 H 3.961 0.01 2 661 59 59 SER C C 175.504 0.1 1 662 59 59 SER CA C 60.671 0.05 1 663 59 59 SER CB C 63.077 0.1 1 664 59 59 SER N N 111.905 0.1 1 665 60 60 CYS H H 8.276 0.01 1 666 60 60 CYS HA H 5.213 0.01 1 667 60 60 CYS HB2 H 3.086 0.01 2 668 60 60 CYS HB3 H 2.779 0.01 2 669 60 60 CYS C C 176.067 0.1 1 670 60 60 CYS CA C 53.564 0.05 1 671 60 60 CYS CB C 38.856 0.1 1 672 60 60 CYS N N 117.368 0.1 1 673 61 61 ARG H H 7.526 0.01 1 674 61 61 ARG HA H 3.996 0.01 1 675 61 61 ARG HB2 H 1.810 0.01 2 676 61 61 ARG HB3 H 1.909 0.01 2 677 61 61 ARG HG2 H 1.595 0.01 1 678 61 61 ARG HG3 H 1.595 0.01 1 679 61 61 ARG HD2 H 3.290 0.01 1 680 61 61 ARG HD3 H 3.290 0.01 1 681 61 61 ARG C C 177.191 0.1 1 682 61 61 ARG CA C 61.769 0.05 1 683 61 61 ARG CB C 30.742 0.1 1 684 61 61 ARG CG C 29.489 0.1 1 685 61 61 ARG CD C 44.251 0.1 1 686 61 61 ARG N N 122.241 0.1 1 687 62 62 CYS H H 8.929 0.01 1 688 62 62 CYS HA H 4.699 0.01 1 689 62 62 CYS HB2 H 3.087 0.01 2 690 62 62 CYS HB3 H 2.880 0.01 2 691 62 62 CYS C C 177.443 0.1 1 692 62 62 CYS CA C 55.434 0.05 1 693 62 62 CYS CB C 32.320 0.1 1 694 62 62 CYS N N 114.530 0.1 1 695 63 63 GLU H H 8.676 0.01 1 696 63 63 GLU HA H 4.098 0.01 1 697 63 63 GLU HB2 H 1.933 0.01 2 698 63 63 GLU HB3 H 2.156 0.01 2 699 63 63 GLU HG2 H 2.329 0.01 1 700 63 63 GLU HG3 H 2.329 0.01 1 701 63 63 GLU C C 178.996 0.1 1 702 63 63 GLU CA C 59.339 0.05 1 703 63 63 GLU CB C 28.947 0.1 1 704 63 63 GLU CG C 35.755 0.1 1 705 63 63 GLU N N 123.020 0.1 1 706 64 64 GLY H H 8.562 0.01 1 707 64 64 GLY HA2 H 3.524 0.01 2 708 64 64 GLY HA3 H 3.988 0.01 2 709 64 64 GLY C C 175.075 0.1 1 710 64 64 GLY CA C 47.650 0.05 1 711 64 64 GLY N N 107.461 0.1 1 712 65 65 LEU H H 7.983 0.01 1 713 65 65 LEU HA H 4.035 0.01 1 714 65 65 LEU HB2 H 1.181 0.01 2 715 65 65 LEU HB3 H 2.010 0.01 2 716 65 65 LEU HG H 1.880 0.01 1 717 65 65 LEU HD1 H 0.958 0.01 2 718 65 65 LEU HD2 H 0.785 0.01 2 719 65 65 LEU C C 179.027 0.1 1 720 65 65 LEU CA C 58.269 0.05 1 721 65 65 LEU CB C 42.217 0.1 1 722 65 65 LEU CG C 26.378 0.1 1 723 65 65 LEU CD1 C 23.455 0.1 1 724 65 65 LEU CD2 C 25.826 0.1 1 725 65 65 LEU N N 121.913 0.1 1 726 66 66 ARG H H 8.454 0.01 1 727 66 66 ARG HA H 3.934 0.01 1 728 66 66 ARG HB2 H 1.812 0.01 2 729 66 66 ARG HB3 H 1.958 0.01 2 730 66 66 ARG HG2 H 1.626 0.01 1 731 66 66 ARG HG3 H 1.626 0.01 1 732 66 66 ARG HD2 H 3.271 0.01 1 733 66 66 ARG HD3 H 3.271 0.01 1 734 66 66 ARG C C 179.233 0.1 1 735 66 66 ARG CA C 60.680 0.05 1 736 66 66 ARG CB C 30.499 0.1 1 737 66 66 ARG CG C 29.132 0.1 1 738 66 66 ARG CD C 43.892 0.1 1 739 66 66 ARG N N 119.944 0.1 1 740 67 67 MET H H 8.667 0.01 1 741 67 67 MET HA H 3.986 0.01 1 742 67 67 MET HB2 H 2.357 0.01 1 743 67 67 MET HB3 H 2.357 0.01 1 744 67 67 MET HG2 H 2.812 0.01 2 745 67 67 MET HG3 H 2.552 0.01 2 746 67 67 MET HE H 2.017 0.01 1 747 67 67 MET C C 178.793 0.1 1 748 67 67 MET CA C 59.367 0.05 1 749 67 67 MET CB C 33.120 0.1 1 750 67 67 MET CG C 33.100 0.1 1 751 67 67 MET CE C 18.412 0.1 1 752 67 67 MET N N 119.780 0.1 1 753 68 68 MET H H 8.561 0.01 1 754 68 68 MET HA H 3.848 0.01 1 755 68 68 MET HB2 H 2.032 0.01 1 756 68 68 MET HB3 H 2.032 0.01 1 757 68 68 MET HG2 H 2.528 0.01 2 758 68 68 MET HG3 H 2.248 0.01 2 759 68 68 MET HE H 1.987 0.01 1 760 68 68 MET C C 178.210 0.1 1 761 68 68 MET CA C 59.220 0.05 1 762 68 68 MET CB C 32.842 0.1 1 763 68 68 MET CG C 31.722 0.1 1 764 68 68 MET CE C 18.040 0.1 1 765 68 68 MET N N 120.956 0.1 1 766 69 69 MET H H 8.152 0.01 1 767 69 69 MET HA H 4.358 0.01 1 768 69 69 MET HB2 H 1.953 0.01 2 769 69 69 MET HB3 H 2.205 0.01 2 770 69 69 MET HG2 H 2.642 0.01 1 771 69 69 MET HG3 H 2.642 0.01 1 772 69 69 MET HE H 1.936 0.01 1 773 69 69 MET C C 179.079 0.1 1 774 69 69 MET CA C 57.136 0.05 1 775 69 69 MET CB C 30.808 0.1 1 776 69 69 MET CG C 32.191 0.1 1 777 69 69 MET CE C 18.858 0.1 1 778 69 69 MET N N 118.201 0.1 1 779 70 70 ARG H H 8.140 0.01 1 780 70 70 ARG HA H 4.069 0.01 1 781 70 70 ARG HB2 H 1.938 0.01 1 782 70 70 ARG HB3 H 1.938 0.01 1 783 70 70 ARG HG2 H 1.812 0.01 1 784 70 70 ARG HG3 H 1.812 0.01 1 785 70 70 ARG HD2 H 3.202 0.01 1 786 70 70 ARG HD3 H 3.202 0.01 1 787 70 70 ARG C C 179.208 0.1 1 788 70 70 ARG CA C 59.589 0.05 1 789 70 70 ARG CB C 30.031 0.1 1 790 70 70 ARG CG C 27.987 0.1 1 791 70 70 ARG CD C 43.667 0.1 1 792 70 70 ARG N N 120.232 0.1 1 793 71 71 MET H H 7.965 0.01 1 794 71 71 MET HA H 4.038 0.01 1 795 71 71 MET HB2 H 2.158 0.01 1 796 71 71 MET HB3 H 2.158 0.01 1 797 71 71 MET HG2 H 2.684 0.01 1 798 71 71 MET HG3 H 2.684 0.01 1 799 71 71 MET HE H 2.141 0.01 1 800 71 71 MET C C 178.748 0.1 1 801 71 71 MET CA C 58.886 0.05 1 802 71 71 MET CB C 32.922 0.1 1 803 71 71 MET CG C 33.121 0.1 1 804 71 71 MET CE C 18.412 0.1 1 805 71 71 MET N N 117.819 0.1 1 806 72 72 MET H H 8.006 0.01 1 807 72 72 MET HA H 4.171 0.01 1 808 72 72 MET HB2 H 2.192 0.01 1 809 72 72 MET HB3 H 2.192 0.01 1 810 72 72 MET HG2 H 2.813 0.01 2 811 72 72 MET HG3 H 2.479 0.01 2 812 72 72 MET HE H 1.952 0.01 1 813 72 72 MET C C 177.679 0.1 1 814 72 72 MET CA C 58.668 0.05 1 815 72 72 MET CB C 33.283 0.1 1 816 72 72 MET CG C 32.756 0.1 1 817 72 72 MET CE C 18.115 0.1 1 818 72 72 MET N N 118.139 0.1 1 819 73 73 GLN H H 7.935 0.01 1 820 73 73 GLN HA H 4.239 0.01 1 821 73 73 GLN HB2 H 2.114 0.01 2 822 73 73 GLN HB3 H 2.202 0.01 2 823 73 73 GLN HG2 H 2.492 0.01 2 824 73 73 GLN HG3 H 2.330 0.01 2 825 73 73 GLN HE21 H 7.189 0.01 2 826 73 73 GLN HE22 H 6.769 0.01 2 827 73 73 GLN C C 176.552 0.1 1 828 73 73 GLN CA C 57.503 0.05 1 829 73 73 GLN CB C 29.160 0.1 1 830 73 73 GLN CG C 34.454 0.1 1 831 73 73 GLN N N 118.303 0.1 1 832 73 73 GLN NE2 N 110.082 0.1 1 833 74 74 GLN H H 7.745 0.01 1 834 74 74 GLN HA H 4.229 0.01 1 835 74 74 GLN HB2 H 2.095 0.01 2 836 74 74 GLN HB3 H 2.177 0.01 2 837 74 74 GLN HG2 H 2.533 0.01 2 838 74 74 GLN HG3 H 2.419 0.01 2 839 74 74 GLN HE21 H 7.446 0.01 2 840 74 74 GLN HE22 H 6.788 0.01 2 841 74 74 GLN C C 176.825 0.1 1 842 74 74 GLN CA C 57.045 0.05 1 843 74 74 GLN CB C 29.568 0.1 1 844 74 74 GLN CG C 33.969 0.1 1 845 74 74 GLN N N 117.483 0.1 1 846 74 74 GLN NE2 N 111.520 0.1 1 847 75 75 LYS H H 7.906 0.01 1 848 75 75 LYS HA H 4.329 0.01 1 849 75 75 LYS HB2 H 1.826 0.01 1 850 75 75 LYS HB3 H 1.826 0.01 1 851 75 75 LYS HG2 H 1.419 0.01 1 852 75 75 LYS HG3 H 1.419 0.01 1 853 75 75 LYS HD2 H 1.664 0.01 1 854 75 75 LYS HD3 H 1.664 0.01 1 855 75 75 LYS HE2 H 2.966 0.01 2 856 75 75 LYS HE3 H 2.972 0.01 2 857 75 75 LYS C C 176.694 0.1 1 858 75 75 LYS CA C 57.268 0.05 1 859 75 75 LYS CB C 33.583 0.1 1 860 75 75 LYS CG C 24.834 0.1 1 861 75 75 LYS CD C 28.815 0.1 1 862 75 75 LYS CE C 42.239 0.1 1 863 75 75 LYS N N 117.975 0.1 1 864 76 76 GLU H H 8.516 0.01 1 865 76 76 GLU HA H 4.298 0.01 1 866 76 76 GLU HB2 H 2.036 0.01 1 867 76 76 GLU HB3 H 2.036 0.01 1 868 76 76 GLU HG2 H 2.247 0.01 1 869 76 76 GLU HG3 H 2.247 0.01 1 870 76 76 GLU C C 176.096 0.1 1 871 76 76 GLU CA C 57.596 0.05 1 872 76 76 GLU CB C 30.403 0.1 1 873 76 76 GLU CG C 36.599 0.1 1 874 76 76 GLU N N 119.124 0.1 1 875 77 77 MET H H 8.123 0.01 1 876 77 77 MET HA H 4.454 0.01 1 877 77 77 MET HB2 H 1.921 0.01 2 878 77 77 MET HB3 H 2.074 0.01 2 879 77 77 MET HG2 H 2.487 0.01 1 880 77 77 MET HG3 H 2.487 0.01 1 881 77 77 MET HE H 2.017 0.01 1 882 77 77 MET C C 175.127 0.1 1 883 77 77 MET CA C 55.487 0.05 1 884 77 77 MET CB C 33.608 0.1 1 885 77 77 MET CG C 32.169 0.1 1 886 77 77 MET CE C 17.966 0.1 1 887 77 77 MET N N 118.796 0.1 1 888 78 78 GLN H H 8.322 0.01 1 889 78 78 GLN HA H 4.633 0.01 1 890 78 78 GLN HB2 H 2.009 0.01 2 891 78 78 GLN HB3 H 2.098 0.01 2 892 78 78 GLN HG2 H 2.376 0.01 1 893 78 78 GLN HG3 H 2.376 0.01 1 894 78 78 GLN HE21 H 7.473 0.01 2 895 78 78 GLN HE22 H 6.792 0.01 2 896 78 78 GLN CA C 54.285 0.05 1 897 78 78 GLN CB C 28.858 0.1 1 898 78 78 GLN CG C 33.665 0.1 1 899 78 78 GLN N N 121.256 0.1 1 900 78 78 GLN NE2 N 112.059 0.1 1 901 79 79 PRO HA H 4.400 0.01 1 902 79 79 PRO HB2 H 1.848 0.01 2 903 79 79 PRO HB3 H 2.214 0.01 2 904 79 79 PRO HG2 H 1.999 0.01 1 905 79 79 PRO HG3 H 1.999 0.01 1 906 79 79 PRO HD2 H 3.690 0.01 1 907 79 79 PRO HD3 H 3.690 0.01 1 908 79 79 PRO C C 176.196 0.1 1 909 79 79 PRO CA C 63.560 0.05 1 910 79 79 PRO CB C 32.081 0.1 1 911 79 79 PRO CG C 27.510 0.1 1 912 79 79 PRO CD C 50.621 0.1 1 913 80 80 ARG H H 8.288 0.01 1 914 80 80 ARG HA H 4.539 0.01 1 915 80 80 ARG HB2 H 1.746 0.01 2 916 80 80 ARG HB3 H 1.969 0.01 2 917 80 80 ARG HG2 H 1.617 0.01 1 918 80 80 ARG HG3 H 1.617 0.01 1 919 80 80 ARG HD2 H 3.202 0.01 1 920 80 80 ARG HD3 H 3.202 0.01 1 921 80 80 ARG C C 177.066 0.1 1 922 80 80 ARG CA C 55.147 0.05 1 923 80 80 ARG CB C 31.569 0.1 1 924 80 80 ARG CG C 27.263 0.1 1 925 80 80 ARG CD C 43.429 0.1 1 926 80 80 ARG N N 118.632 0.1 1 927 81 81 GLY H H 8.493 0.01 1 928 81 81 GLY HA2 H 4.066 0.01 2 929 81 81 GLY HA3 H 3.914 0.01 2 930 81 81 GLY C C 175.491 0.1 1 931 81 81 GLY CA C 46.623 0.05 1 932 81 81 GLY N N 109.608 0.1 1 933 82 82 GLU H H 8.986 0.01 1 934 82 82 GLU HA H 4.089 0.01 1 935 82 82 GLU HB2 H 2.074 0.01 1 936 82 82 GLU HB3 H 2.074 0.01 1 937 82 82 GLU HG2 H 2.350 0.01 1 938 82 82 GLU HG3 H 2.350 0.01 1 939 82 82 GLU C C 178.563 0.1 1 940 82 82 GLU CA C 58.977 0.05 1 941 82 82 GLU CB C 29.247 0.1 1 942 82 82 GLU CG C 35.819 0.1 1 943 82 82 GLU N N 122.569 0.1 1 944 83 83 GLN H H 8.185 0.01 1 945 83 83 GLN HA H 4.127 0.01 1 946 83 83 GLN HB2 H 2.100 0.01 2 947 83 83 GLN HB3 H 2.199 0.01 2 948 83 83 GLN HG2 H 2.395 0.01 2 949 83 83 GLN HG3 H 2.467 0.01 2 950 83 83 GLN HE21 H 7.545 0.01 2 951 83 83 GLN HE22 H 6.941 0.01 2 952 83 83 GLN C C 178.023 0.1 1 953 83 83 GLN CA C 59.063 0.05 1 954 83 83 GLN CB C 28.597 0.1 1 955 83 83 GLN CG C 34.201 0.1 1 956 83 83 GLN N N 118.632 0.1 1 957 83 83 GLN NE2 N 112.059 0.1 1 958 84 84 MET H H 7.777 0.01 1 959 84 84 MET HA H 4.223 0.01 1 960 84 84 MET HB2 H 1.951 0.01 2 961 84 84 MET HB3 H 2.007 0.01 2 962 84 84 MET HG2 H 2.508 0.01 1 963 84 84 MET HG3 H 2.508 0.01 1 964 84 84 MET HE H 2.066 0.01 1 965 84 84 MET C C 178.007 0.1 1 966 84 84 MET CA C 57.809 0.05 1 967 84 84 MET CB C 31.467 0.1 1 968 84 84 MET CG C 32.355 0.1 1 969 84 84 MET CE C 18.412 0.1 1 970 84 84 MET N N 119.124 0.1 1 971 85 85 ARG H H 7.957 0.01 1 972 85 85 ARG HA H 3.941 0.01 1 973 85 85 ARG HB2 H 1.935 0.01 1 974 85 85 ARG HB3 H 1.935 0.01 1 975 85 85 ARG HG2 H 1.818 0.01 1 976 85 85 ARG HG3 H 1.818 0.01 1 977 85 85 ARG HD2 H 3.205 0.01 1 978 85 85 ARG HD3 H 3.205 0.01 1 979 85 85 ARG C C 179.078 0.1 1 980 85 85 ARG CA C 60.000 0.05 1 981 85 85 ARG CB C 29.952 0.1 1 982 85 85 ARG CG C 27.963 0.1 1 983 85 85 ARG CD C 43.476 0.1 1 984 85 85 ARG N N 118.960 0.1 1 985 86 86 ARG H H 7.960 0.01 1 986 86 86 ARG HA H 3.990 0.01 1 987 86 86 ARG HB2 H 1.928 0.01 1 988 86 86 ARG HB3 H 1.928 0.01 1 989 86 86 ARG HG2 H 1.531 0.01 1 990 86 86 ARG HG3 H 1.531 0.01 1 991 86 86 ARG HD2 H 3.193 0.01 1 992 86 86 ARG HD3 H 3.193 0.01 1 993 86 86 ARG C C 178.764 0.1 1 994 86 86 ARG CA C 59.617 0.05 1 995 86 86 ARG CB C 30.306 0.1 1 996 86 86 ARG CG C 27.933 0.1 1 997 86 86 ARG CD C 43.820 0.1 1 998 86 86 ARG N N 119.124 0.1 1 999 87 87 MET H H 8.134 0.01 1 1000 87 87 MET HA H 4.115 0.01 1 1001 87 87 MET HB2 H 2.298 0.01 1 1002 87 87 MET HB3 H 2.298 0.01 1 1003 87 87 MET HG2 H 2.710 0.01 2 1004 87 87 MET HG3 H 2.521 0.01 2 1005 87 87 MET HE H 2.034 0.01 1 1006 87 87 MET C C 177.991 0.1 1 1007 87 87 MET CA C 59.201 0.05 1 1008 87 87 MET CB C 33.272 0.1 1 1009 87 87 MET CG C 33.012 0.1 1 1010 87 87 MET CE C 17.371 0.1 1 1011 87 87 MET N N 118.960 0.1 1 1012 88 88 MET H H 8.347 0.01 1 1013 88 88 MET HA H 4.048 0.01 1 1014 88 88 MET HB2 H 2.451 0.01 2 1015 88 88 MET HB3 H 2.182 0.01 2 1016 88 88 MET HG2 H 2.613 0.01 2 1017 88 88 MET HG3 H 2.442 0.01 2 1018 88 88 MET HE H 1.953 0.01 1 1019 88 88 MET C C 177.838 0.1 1 1020 88 88 MET CA C 59.164 0.05 1 1021 88 88 MET CB C 32.743 0.1 1 1022 88 88 MET CG C 32.889 0.1 1 1023 88 88 MET CE C 18.040 0.1 1 1024 88 88 MET N N 117.610 0.1 1 1025 89 89 ARG H H 7.687 0.01 1 1026 89 89 ARG HA H 4.096 0.01 1 1027 89 89 ARG HB2 H 1.935 0.01 1 1028 89 89 ARG HB3 H 1.935 0.01 1 1029 89 89 ARG HG2 H 1.758 0.01 2 1030 89 89 ARG HG3 H 1.720 0.01 2 1031 89 89 ARG HD2 H 3.221 0.01 1 1032 89 89 ARG HD3 H 3.221 0.01 1 1033 89 89 ARG C C 179.139 0.1 1 1034 89 89 ARG CA C 59.004 0.05 1 1035 89 89 ARG CB C 30.133 0.1 1 1036 89 89 ARG CG C 27.391 0.1 1 1037 89 89 ARG CD C 43.445 0.1 1 1038 89 89 ARG N N 117.881 0.1 1 1039 90 90 LEU H H 7.843 0.01 1 1040 90 90 LEU HA H 4.192 0.01 1 1041 90 90 LEU HB2 H 1.561 0.01 2 1042 90 90 LEU HB3 H 2.002 0.01 2 1043 90 90 LEU HG H 1.827 0.01 1 1044 90 90 LEU HD1 H 0.895 0.01 2 1045 90 90 LEU C C 180.162 0.1 1 1046 90 90 LEU CA C 57.869 0.05 1 1047 90 90 LEU CB C 42.601 0.1 1 1048 90 90 LEU CG C 27.093 0.1 1 1049 90 90 LEU CD1 C 25.690 0.1 1 1050 90 90 LEU CD2 C 23.847 0.1 1 1051 90 90 LEU N N 119.288 0.1 1 1052 91 91 ALA H H 8.231 0.01 1 1053 91 91 ALA HA H 4.096 0.01 1 1054 91 91 ALA HB H 1.571 0.01 1 1055 91 91 ALA C C 178.965 0.1 1 1056 91 91 ALA CA C 55.369 0.05 1 1057 91 91 ALA CB C 18.639 0.1 1 1058 91 91 ALA N N 121.577 0.1 1 1059 92 92 GLU H H 7.972 0.01 1 1060 92 92 GLU HA H 4.171 0.01 1 1061 92 92 GLU HB2 H 1.920 0.01 2 1062 92 92 GLU HB3 H 2.229 0.01 2 1063 92 92 GLU HG2 H 2.630 0.01 1 1064 92 92 GLU HG3 H 2.630 0.01 1 1065 92 92 GLU C C 177.936 0.1 1 1066 92 92 GLU CA C 58.479 0.05 1 1067 92 92 GLU CB C 30.622 0.1 1 1068 92 92 GLU CG C 36.702 0.1 1 1069 92 92 GLU N N 113.317 0.1 1 1070 93 93 ASN H H 7.184 0.01 1 1071 93 93 ASN HA H 5.077 0.01 1 1072 93 93 ASN HB2 H 2.757 0.01 2 1073 93 93 ASN HB3 H 2.984 0.01 2 1074 93 93 ASN HD21 H 7.713 0.01 2 1075 93 93 ASN HD22 H 7.009 0.01 2 1076 93 93 ASN C C 175.833 0.1 1 1077 93 93 ASN CA C 52.929 0.05 1 1078 93 93 ASN CB C 40.828 0.1 1 1079 93 93 ASN N N 111.413 0.1 1 1080 93 93 ASN ND2 N 113.599 0.1 1 1081 94 94 ILE H H 7.644 0.01 1 1082 94 94 ILE HA H 3.731 0.01 1 1083 94 94 ILE HB H 2.064 0.01 1 1084 94 94 ILE HG12 H 1.003 0.01 1 1085 94 94 ILE HG13 H 1.544 0.01 1 1086 94 94 ILE HG2 H 0.945 0.01 1 1087 94 94 ILE HD1 H 0.808 0.01 1 1088 94 94 ILE CA C 67.777 0.05 1 1089 94 94 ILE CB C 36.126 0.1 1 1090 94 94 ILE CD1 C 13.553 0.1 1 1091 94 94 ILE N N 122.241 0.1 1 1092 95 95 PRO HA H 3.771 0.01 1 1093 95 95 PRO HB2 H 2.163 0.01 2 1094 95 95 PRO HB3 H 2.277 0.01 2 1095 95 95 PRO HG2 H 1.841 0.01 1 1096 95 95 PRO HG3 H 1.841 0.01 1 1097 95 95 PRO HD2 H 3.189 0.01 2 1098 95 95 PRO HD3 H 3.739 0.01 2 1099 95 95 PRO C C 178.283 0.1 1 1100 95 95 PRO CA C 67.293 0.05 1 1101 95 95 PRO CB C 30.400 0.1 1 1102 95 95 PRO CG C 29.407 0.1 1 1103 95 95 PRO CD C 49.866 0.1 1 1104 96 96 SER H H 7.383 0.01 1 1105 96 96 SER HA H 4.466 0.01 1 1106 96 96 SER HB2 H 4.131 0.01 1 1107 96 96 SER HB3 H 4.131 0.01 1 1108 96 96 SER C C 178.577 0.1 1 1109 96 96 SER CA C 61.567 0.05 1 1110 96 96 SER CB C 62.575 0.1 1 1111 96 96 SER N N 112.233 0.1 1 1112 97 97 ARG H H 7.971 0.01 1 1113 97 97 ARG HA H 4.132 0.01 1 1114 97 97 ARG HB2 H 1.929 0.01 2 1115 97 97 ARG HB3 H 2.054 0.01 2 1116 97 97 ARG HG2 H 1.694 0.01 1 1117 97 97 ARG HG3 H 1.694 0.01 1 1118 97 97 ARG HD2 H 3.223 0.01 1 1119 97 97 ARG HD3 H 3.223 0.01 1 1120 97 97 ARG C C 178.193 0.1 1 1121 97 97 ARG CA C 58.029 0.05 1 1122 97 97 ARG CB C 28.983 0.1 1 1123 97 97 ARG CG C 26.795 0.1 1 1124 97 97 ARG CD C 42.096 0.1 1 1125 97 97 ARG N N 123.225 0.1 1 1126 98 98 CYS H H 7.609 0.01 1 1127 98 98 CYS HA H 4.606 0.01 1 1128 98 98 CYS HB2 H 2.574 0.01 2 1129 98 98 CYS HB3 H 3.160 0.01 2 1130 98 98 CYS C C 174.322 0.1 1 1131 98 98 CYS CA C 52.976 0.05 1 1132 98 98 CYS CB C 37.397 0.1 1 1133 98 98 CYS N N 114.366 0.1 1 1134 99 99 ASN H H 8.122 0.01 1 1135 99 99 ASN HA H 4.257 0.01 1 1136 99 99 ASN HB2 H 2.694 0.01 2 1137 99 99 ASN HB3 H 3.170 0.01 2 1138 99 99 ASN HD21 H 7.514 0.01 2 1139 99 99 ASN HD22 H 6.731 0.01 2 1140 99 99 ASN C C 173.652 0.1 1 1141 99 99 ASN CA C 54.507 0.05 1 1142 99 99 ASN CB C 37.555 0.1 1 1143 99 99 ASN N N 118.528 0.1 1 1144 99 99 ASN ND2 N 111.878 0.1 1 1145 100 100 LEU H H 8.124 0.01 1 1146 100 100 LEU HA H 4.686 0.01 1 1147 100 100 LEU HB2 H 1.343 0.01 1 1148 100 100 LEU HB3 H 1.343 0.01 1 1149 100 100 LEU HG H 1.565 0.01 1 1150 100 100 LEU HD1 H 0.856 0.01 2 1151 100 100 LEU HD2 H 0.774 0.01 2 1152 100 100 LEU C C 175.363 0.1 1 1153 100 100 LEU CA C 52.780 0.05 1 1154 100 100 LEU CB C 45.670 0.1 1 1155 100 100 LEU CG C 26.504 0.1 1 1156 100 100 LEU CD1 C 23.243 0.1 1 1157 100 100 LEU CD2 C 22.908 0.1 1 1158 100 100 LEU N N 117.270 0.1 1 1159 101 101 SER H H 8.099 0.01 1 1160 101 101 SER HA H 4.401 0.01 1 1161 101 101 SER HB2 H 3.719 0.01 2 1162 101 101 SER HB3 H 3.797 0.01 2 1163 101 101 SER CA C 56.711 0.05 1 1164 101 101 SER CB C 63.186 0.1 1 1165 101 101 SER N N 115.995 0.1 1 1166 102 102 PRO HA H 4.395 0.01 1 1167 102 102 PRO HB2 H 1.944 0.01 2 1168 102 102 PRO HB3 H 2.089 0.01 2 1169 102 102 PRO HG2 H 2.019 0.01 1 1170 102 102 PRO HG3 H 2.019 0.01 1 1171 102 102 PRO HD2 H 3.687 0.01 2 1172 102 102 PRO HD3 H 3.837 0.01 2 1173 102 102 PRO C C 176.135 0.1 1 1174 102 102 PRO CA C 63.045 0.05 1 1175 102 102 PRO CB C 33.633 0.1 1 1176 102 102 PRO CG C 25.690 0.1 1 1177 102 102 PRO CD C 50.473 0.1 1 1178 103 103 MET H H 8.646 0.01 1 1179 103 103 MET HA H 3.976 0.01 1 1180 103 103 MET HB2 H 1.941 0.01 1 1181 103 103 MET HB3 H 1.941 0.01 1 1182 103 103 MET HG2 H 2.654 0.01 2 1183 103 103 MET HG3 H 2.450 0.01 2 1184 103 103 MET HE H 2.071 0.01 1 1185 103 103 MET C C 175.978 0.1 1 1186 103 103 MET CA C 59.270 0.05 1 1187 103 103 MET CB C 31.411 0.1 1 1188 103 103 MET CG C 33.133 0.1 1 1189 103 103 MET CE C 18.189 0.1 1 1190 103 103 MET N N 117.450 0.1 1 1191 104 104 ARG H H 7.945 0.01 1 1192 104 104 ARG HA H 4.933 0.01 1 1193 104 104 ARG HB2 H 1.743 0.01 1 1194 104 104 ARG HB3 H 1.743 0.01 1 1195 104 104 ARG HG2 H 1.740 0.01 1 1196 104 104 ARG HG3 H 1.740 0.01 1 1197 104 104 ARG HD2 H 3.201 0.01 1 1198 104 104 ARG HD3 H 3.201 0.01 1 1199 104 104 ARG C C 175.083 0.1 1 1200 104 104 ARG CA C 54.757 0.05 1 1201 104 104 ARG CB C 33.495 0.1 1 1202 104 104 ARG CG C 27.566 0.1 1 1203 104 104 ARG CD C 43.405 0.1 1 1204 104 104 ARG N N 118.348 0.1 1 1205 105 105 CYS H H 8.941 0.01 1 1206 105 105 CYS HA H 5.318 0.01 1 1207 105 105 CYS HB2 H 2.487 0.01 2 1208 105 105 CYS HB3 H 2.826 0.01 2 1209 105 105 CYS CA C 50.152 0.05 1 1210 105 105 CYS CB C 37.653 0.1 1 1211 105 105 CYS N N 121.421 0.1 1 1212 106 106 PRO HA H 4.290 0.01 1 1213 106 106 PRO HB2 H 1.952 0.01 2 1214 106 106 PRO HB3 H 2.296 0.01 2 1215 106 106 PRO HG2 H 2.147 0.01 1 1216 106 106 PRO HG3 H 2.147 0.01 1 1217 106 106 PRO HD2 H 3.727 0.01 2 1218 106 106 PRO HD3 H 3.579 0.01 2 1219 106 106 PRO C C 178.260 0.1 1 1220 106 106 PRO CA C 63.273 0.05 1 1221 106 106 PRO CB C 31.964 0.1 1 1222 106 106 PRO CG C 27.790 0.1 1 1223 106 106 PRO CD C 50.455 0.1 1 1224 107 107 MET H H 9.455 0.01 1 1225 107 107 MET HA H 4.728 0.01 1 1226 107 107 MET HB2 H 2.047 0.01 2 1227 107 107 MET HB3 H 1.978 0.01 2 1228 107 107 MET HG2 H 3.014 0.01 2 1229 107 107 MET HG3 H 2.618 0.01 2 1230 107 107 MET HE H 1.870 0.01 1 1231 107 107 MET C C 176.960 0.1 1 1232 107 107 MET CA C 54.507 0.05 1 1233 107 107 MET CB C 34.497 0.1 1 1234 107 107 MET CG C 33.361 0.1 1 1235 107 107 MET CE C 16.770 0.1 1 1236 107 107 MET N N 123.921 0.1 1 1237 108 108 GLY H H 8.315 0.01 1 1238 108 108 GLY HA2 H 3.926 0.01 1 1239 108 108 GLY HA3 H 3.926 0.01 1 1240 108 108 GLY C C 174.697 0.1 1 1241 108 108 GLY CA C 45.915 0.05 1 1242 108 108 GLY N N 109.190 0.1 1 1243 109 109 GLY H H 8.604 0.01 1 1244 109 109 GLY HA2 H 3.955 0.01 1 1245 109 109 GLY HA3 H 3.955 0.01 1 1246 109 109 GLY C C 174.688 0.1 1 1247 109 109 GLY CA C 45.630 0.05 1 1248 109 109 GLY N N 109.919 0.1 1 1249 110 110 SER H H 8.184 0.01 1 1250 110 110 SER HA H 4.389 0.01 1 1251 110 110 SER HB2 H 3.841 0.01 1 1252 110 110 SER HB3 H 3.841 0.01 1 1253 110 110 SER C C 174.507 0.1 1 1254 110 110 SER CA C 59.181 0.05 1 1255 110 110 SER CB C 63.920 0.1 1 1256 110 110 SER N N 115.475 0.1 1 1257 111 111 ILE H H 7.856 0.01 1 1258 111 111 ILE HA H 4.185 0.01 1 1259 111 111 ILE HB H 1.844 0.01 1 1260 111 111 ILE HG12 H 1.416 0.01 1 1261 111 111 ILE HG13 H 1.139 0.01 1 1262 111 111 ILE HG2 H 0.870 0.01 1 1263 111 111 ILE HD1 H 0.854 0.01 1 1264 111 111 ILE C C 175.508 0.1 1 1265 111 111 ILE CA C 60.894 0.05 1 1266 111 111 ILE CB C 38.940 0.1 1 1267 111 111 ILE CG1 C 27.295 0.1 2 1268 111 111 ILE CG2 C 17.665 0.1 1 1269 111 111 ILE CD1 C 13.190 0.1 1 1270 111 111 ILE N N 120.680 0.1 1 1271 112 112 ALA H H 8.208 0.01 1 1272 112 112 ALA HA H 4.266 0.01 1 1273 112 112 ALA HB H 1.327 0.01 1 1274 112 112 ALA C C 177.675 0.1 1 1275 112 112 ALA CA C 52.874 0.05 1 1276 112 112 ALA CB C 19.199 0.1 1 1277 112 112 ALA N N 126.450 0.1 1 1278 113 113 GLY H H 8.138 0.01 1 1279 113 113 GLY HA2 H 3.909 0.01 2 1280 113 113 GLY HA3 H 3.736 0.01 2 1281 113 113 GLY C C 172.998 0.1 1 1282 113 113 GLY CA C 45.095 0.05 1 1283 113 113 GLY N N 107.925 0.1 1 1284 114 114 PHE H H 7.618 0.01 1 1285 114 114 PHE HA H 4.420 0.01 1 1286 114 114 PHE HB2 H 3.136 0.01 2 1287 114 114 PHE HB3 H 2.894 0.01 2 1288 114 114 PHE HD1 H 7.200 0.01 3 1289 114 114 PHE CA C 59.139 0.05 1 1290 114 114 PHE CB C 40.815 0.1 1 1291 114 114 PHE N N 124.211 0.1 1 stop_ save_