data_5688 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shifts Assignment for the all-trans conformer of the cathelin-like domain of the protegrin-3 precursor ; _BMRB_accession_number 5688 _BMRB_flat_file_name bmr5688.str _Entry_type original _Submission_date 2003-02-07 _Accession_date 2003-02-07 _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 Yang Y. S. . 2 Sanchez J. F. . 3 Strub M. P. . 4 Brutscher B. . . 5 Aumelas A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 2376 "13C chemical shifts" 780 "15N chemical shifts" 372 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-10-08 original author . stop_ _Original_release_date 2003-10-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of the Cathelin-like Domain of the Protegrin-3 Precursor' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22592268 _PubMed_ID 12705830 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Y. . . 2 Sanchez J. F. . 3 Strub M. P. . 4 Brutscher B. . . 5 Aumelas A. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4669 _Page_last 4680 _Year 2003 _Details . loop_ _Keyword 'cathelin-like domain' cathelicidin 'proline isomerization' 'cystatin fold' stop_ save_ ################################## # Molecular system description # ################################## save_system_ProS _Saveframe_category molecular_system _Mol_system_name 'cathelin-like domain of the protegrin-3 precursor' _Abbreviation_common ProS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cathelin-like domain of protegrins' $ProS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'Prosequence of cathelicidin antibacterial peptides' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ProS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cathelin-like domain' _Abbreviation_common ProS _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GSHMQALSYREAVLRAVDRL NEQSSEANLYRLLELDQPPK ADEDPGTPKPVSFTVKETVC PRPTRQPPELCDFKENGRVK QCVGTVTLDQIKDPLDITCN EVQGV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 GLY 2 27 SER 3 28 HIS 4 29 MET 5 30 GLN 6 31 ALA 7 32 LEU 8 33 SER 9 34 TYR 10 35 ARG 11 36 GLU 12 37 ALA 13 38 VAL 14 39 LEU 15 40 ARG 16 41 ALA 17 42 VAL 18 43 ASP 19 44 ARG 20 45 LEU 21 46 ASN 22 47 GLU 23 48 GLN 24 49 SER 25 50 SER 26 51 GLU 27 52 ALA 28 53 ASN 29 54 LEU 30 55 TYR 31 56 ARG 32 57 LEU 33 58 LEU 34 59 GLU 35 60 LEU 36 61 ASP 37 62 GLN 38 63 PRO 39 64 PRO 40 65 LYS 41 66 ALA 42 67 ASP 43 68 GLU 44 69 ASP 45 70 PRO 46 71 GLY 47 72 THR 48 73 PRO 49 74 LYS 50 75 PRO 51 76 VAL 52 77 SER 53 78 PHE 54 79 THR 55 80 VAL 56 81 LYS 57 82 GLU 58 83 THR 59 84 VAL 60 85 CYS 61 86 PRO 62 87 ARG 63 88 PRO 64 89 THR 65 90 ARG 66 91 GLN 67 92 PRO 68 93 PRO 69 94 GLU 70 95 LEU 71 96 CYS 72 97 ASP 73 98 PHE 74 99 LYS 75 100 GLU 76 101 ASN 77 102 GLY 78 103 ARG 79 104 VAL 80 105 LYS 81 106 GLN 82 107 CYS 83 108 VAL 84 109 GLY 85 110 THR 86 111 VAL 87 112 THR 88 113 LEU 89 114 ASP 90 115 GLN 91 116 ILE 92 117 LYS 93 118 ASP 94 119 PRO 95 120 LEU 96 121 ASP 97 122 ILE 98 123 THR 99 124 CYS 100 125 ASN 101 126 GLU 102 127 VAL 103 128 GLN 104 129 GLY 105 130 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1KWI "Crystal Structure Analysis Of The Cathelicidin Motif Of Protegrins" 96.19 101 100.00 100.00 1.38e-65 PDB 1LXE "Crystal Structure Of The Cathelicidin Motif Of Protegrins" 96.19 101 100.00 100.00 1.38e-65 PDB 1N5H "Solution Structure Of The Cathelin-Like Domain Of Protegrins (The R87-P88 And D118-P119 Amide Bonds Are In The Cis Conformation" 100.00 105 100.00 100.00 1.14e-69 PDB 1N5P "Solution Structure Of The Cathelin-Like Domain Of Protegrins (All Amide Bonds Involving Proline Residues Are In Trans Conformat" 100.00 105 100.00 100.00 1.14e-69 EMBL CAA56251 "protegrin-1 [Sus scrofa]" 99.05 149 97.12 98.08 2.00e-65 EMBL CAA58240 "protegrin-3 [Sus scrofa]" 99.05 149 97.12 98.08 2.00e-65 EMBL CAA58241 "protegrin-4 [Sus scrofa]" 99.05 149 97.12 98.08 1.57e-65 EMBL CAA58890 "protegrin-1 [Sus scrofa]" 99.05 149 97.12 98.08 2.00e-65 EMBL CAA58891 "protegrin-3 [Sus scrofa]" 99.05 149 97.12 98.08 2.00e-65 GB AAA31061 "leukocyte antimicrobial peptide precursor [Sus scrofa]" 99.05 147 97.12 98.08 1.46e-65 PRF 2013229A protegrin 99.05 149 97.12 98.08 2.00e-65 REF NP_001116621 "protegrin-1 precursor [Sus scrofa]" 99.05 149 97.12 98.08 2.00e-65 REF NP_001116622 "protegrin-3 precursor [Sus scrofa]" 99.05 149 97.12 98.08 2.00e-65 REF NP_001123438 "protegrin-2 precursor [Sus scrofa]" 99.05 147 97.12 98.08 1.46e-65 SP P32194 "RecName: Full=Protegrin-1; Short=PG-1; AltName: Full=Neutrophil peptide 1; Flags: Precursor [Sus scrofa]" 99.05 149 97.12 98.08 2.00e-65 SP P32195 "RecName: Full=Protegrin-2; Short=PG-2; Flags: Precursor [Sus scrofa]" 99.05 147 97.12 98.08 1.46e-65 SP P32196 "RecName: Full=Protegrin-3; Short=PG-3; Flags: Precursor [Sus scrofa]" 99.05 149 97.12 98.08 2.00e-65 SP P49933 "RecName: Full=Protegrin-4; Short=PG-4; Flags: Precursor [Sus scrofa]" 99.05 149 97.12 98.08 1.57e-65 SP P49934 "RecName: Full=Protegrin-5; Short=PG-5; Flags: Precursor [Sus scrofa]" 99.05 149 97.12 98.08 3.12e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Cell_line $ProS Pig 9823 Eukaryota Metazoa Sus scrofa Neutrophil 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 $ProS 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ProS . mM 1.5 2 '[U-15N; U-13C]' 'phosphate buffer' 50 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ProS . mM 1.5 2 '[U-15N; U-13C]' 'phosphate buffer' 50 mM . . . D2O 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version 4.4 loop_ _Task processing stop_ _Details 'Delsuc, M.A.' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.8 loop_ _Task refinement stop_ _Details 'Rice, L.M., Brunger, A.T.' save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.0 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_3D_15N-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HC(C)H-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _Sample_label . save_ save_3D_13C-separated_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details ; The sample was equilibrated for 60 minutes under these conditions before the spectra were collected. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.2 0 n/a temperature 300 0.1 K 'ionic strength' 100 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_trans88-trans119_shift_set _Saveframe_category assigned_chemical_shifts _Details ; Chemical shifs of the four conformers are given in separated tables. Ambiguity code 9 are due to the presence of a mixture of four conformers. ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cathelin-like domain of protegrins' _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 GLY HA2 H 3.90 0.01 1 2 . 1 GLY HA3 H 3.90 0.01 1 3 . 1 GLY CA C 43.03 0.01 1 4 . 2 SER H H 8.66 0.01 1 5 . 2 SER HA H 4.47 0.01 1 6 . 2 SER HB2 H 3.84 0.01 1 7 . 2 SER HB3 H 3.84 0.01 1 8 . 2 SER CA C 58.23 0.01 1 9 . 3 HIS H H 8.68 0.01 1 10 . 3 HIS HA H 4.45 0.01 1 11 . 3 HIS HB2 H 3.12 0.01 2 12 . 3 HIS HB3 H 3.22 0.01 2 13 . 3 HIS C C 174.48 0.01 1 14 . 3 HIS CA C 55.40 0.01 1 15 . 3 HIS N N 120.43 0.01 1 16 . 4 MET H H 8.41 0.01 1 17 . 4 MET HA H 4.47 0.01 1 18 . 4 MET HE H 2.07 0.01 1 19 . 4 MET C C 175.80 0.01 1 20 . 4 MET CA C 55.32 0.01 1 21 . 4 MET N N 121.44 0.01 1 22 . 5 GLN H H 8.41 0.01 1 23 . 5 GLN HA H 4.30 0.01 1 24 . 5 GLN HB2 H 2.19 0.01 2 25 . 5 GLN HB3 H 2.02 0.01 2 26 . 5 GLN HG2 H 2.37 0.01 1 27 . 5 GLN HG3 H 2.37 0.01 1 28 . 5 GLN C C 175.21 0.01 1 29 . 5 GLN CA C 55.68 0.01 1 30 . 5 GLN N N 121.90 0.01 1 31 . 6 ALA H H 8.33 0.01 1 32 . 6 ALA HA H 4.36 0.01 1 33 . 6 ALA HB H 1.33 0.01 1 34 . 6 ALA C C 177.55 0.01 1 35 . 6 ALA CA C 52.20 0.01 1 36 . 6 ALA N N 125.30 0.01 1 37 . 7 LEU H H 8.25 0.01 1 38 . 7 LEU HA H 4.43 0.01 1 39 . 7 LEU HB2 H 1.71 0.01 2 40 . 7 LEU HB3 H 1.66 0.01 2 41 . 7 LEU HG H 1.60 0.01 1 42 . 7 LEU HD1 H 0.81 0.01 1 43 . 7 LEU HD2 H 0.81 0.01 1 44 . 7 LEU C C 177.43 0.01 1 45 . 7 LEU CA C 54.61 0.01 1 46 . 7 LEU N N 120.70 0.01 1 47 . 8 SER H H 8.29 0.01 1 48 . 8 SER HA H 4.57 0.01 1 49 . 8 SER HB2 H 4.33 0.01 2 50 . 8 SER HB3 H 4.00 0.01 2 51 . 8 SER C C 174.80 0.01 1 52 . 8 SER CA C 57.28 0.01 1 53 . 8 SER N N 114.93 0.01 1 54 . 9 TYR H H 9.12 0.01 1 55 . 9 TYR HA H 3.97 0.01 1 56 . 9 TYR HB2 H 2.90 0.01 2 57 . 9 TYR HB3 H 3.05 0.01 2 58 . 9 TYR HD1 H 6.94 0.01 1 59 . 9 TYR HD2 H 6.94 0.01 1 60 . 9 TYR HE1 H 6.66 0.01 1 61 . 9 TYR HE2 H 6.66 0.01 1 62 . 9 TYR C C 176.67 0.01 1 63 . 9 TYR CA C 62.42 0.01 1 64 . 9 TYR N N 122.77 0.01 1 65 . 10 ARG H H 8.68 0.01 1 66 . 10 ARG HA H 3.59 0.01 1 67 . 10 ARG HB2 H 1.70 0.01 2 68 . 10 ARG HB3 H 1.82 0.01 2 69 . 10 ARG HG2 H 1.46 0.01 2 70 . 10 ARG HG3 H 1.39 0.01 2 71 . 10 ARG C C 178.03 0.01 1 72 . 10 ARG CA C 59.94 0.01 1 73 . 10 ARG N N 116.71 0.01 1 74 . 11 GLU H H 7.80 0.01 1 75 . 11 GLU HA H 3.85 0.01 1 76 . 11 GLU HB2 H 2.01 0.01 2 77 . 11 GLU HB3 H 2.26 0.01 2 78 . 11 GLU HG2 H 2.34 0.01 1 79 . 11 GLU HG3 H 2.34 0.01 1 80 . 11 GLU C C 178.74 0.01 1 81 . 11 GLU CA C 59.30 0.01 1 82 . 11 GLU N N 116.93 0.01 1 83 . 12 ALA H H 8.35 0.01 1 84 . 12 ALA HA H 3.94 0.01 1 85 . 12 ALA HB H 1.35 0.01 1 86 . 12 ALA C C 176.73 0.01 1 87 . 12 ALA CA C 55.00 0.01 1 88 . 12 ALA N N 122.15 0.01 1 89 . 13 VAL H H 7.92 0.01 1 90 . 13 VAL HA H 3.12 0.01 1 91 . 13 VAL HB H 1.85 0.01 1 92 . 13 VAL HG1 H -0.11 0.01 2 93 . 13 VAL HG2 H 0.46 0.01 2 94 . 13 VAL C C 177.45 0.01 1 95 . 13 VAL CA C 66.70 0.01 1 96 . 13 VAL N N 120.19 0.01 1 97 . 14 LEU H H 8.43 0.01 1 98 . 14 LEU HA H 3.79 0.01 1 99 . 14 LEU HB2 H 1.92 0.01 2 100 . 14 LEU HB3 H 1.46 0.01 2 101 . 14 LEU HG H 1.69 0.01 1 102 . 14 LEU HD1 H 0.79 0.01 1 103 . 14 LEU HD2 H 0.79 0.01 1 104 . 14 LEU C C 180.64 0.01 1 105 . 14 LEU CA C 58.42 0.01 1 106 . 14 LEU N N 120.35 0.01 1 107 . 15 ARG H H 8.02 0.01 1 108 . 15 ARG HA H 4.20 0.01 1 109 . 15 ARG HB2 H 1.96 0.01 1 110 . 15 ARG HB3 H 1.96 0.01 1 111 . 15 ARG HG2 H 1.86 0.01 1 112 . 15 ARG HG3 H 1.86 0.01 1 113 . 15 ARG C C 178.83 0.01 9 114 . 15 ARG CA C 58.72 0.01 1 115 . 15 ARG N N 118.65 0.01 9 116 . 16 ALA H H 7.78 0.01 1 117 . 16 ALA HA H 4.11 0.01 1 118 . 16 ALA HB H 1.53 0.01 1 119 . 16 ALA C C 179.44 0.01 1 120 . 16 ALA CA C 55.00 0.01 1 121 . 16 ALA N N 123.60 0.01 1 122 . 17 VAL H H 8.27 0.01 1 123 . 17 VAL HA H 3.52 0.01 1 124 . 17 VAL HB H 2.31 0.01 1 125 . 17 VAL HG1 H 0.93 0.01 1 126 . 17 VAL HG2 H 0.84 0.01 1 127 . 17 VAL C C 178.14 0.01 1 128 . 17 VAL CA C 66.82 0.01 1 129 . 17 VAL N N 119.92 0.01 1 130 . 18 ASP H H 7.76 0.01 1 131 . 18 ASP HA H 4.69 0.01 1 132 . 18 ASP HB2 H 2.79 0.01 2 133 . 18 ASP HB3 H 2.99 0.01 2 134 . 18 ASP C C 179.43 0.01 1 135 . 18 ASP CA C 57.42 0.01 1 136 . 18 ASP N N 120.18 0.01 1 137 . 19 ARG H H 8.05 0.01 1 138 . 19 ARG HA H 4.14 0.01 1 139 . 19 ARG HB2 H 2.03 0.01 1 140 . 19 ARG HB3 H 2.03 0.01 1 141 . 19 ARG HG2 H 1.72 0.01 2 142 . 19 ARG HG3 H 1.89 0.01 2 143 . 19 ARG HD2 H 3.24 0.01 1 144 . 19 ARG HD3 H 3.24 0.01 1 145 . 19 ARG C C 178.90 0.01 1 146 . 19 ARG CA C 58.90 0.01 1 147 . 19 ARG N N 120.75 0.01 1 148 . 20 LEU H H 8.45 0.01 1 149 . 20 LEU HA H 4.00 0.01 1 150 . 20 LEU HB2 H 1.90 0.01 2 151 . 20 LEU HB3 H 1.77 0.01 2 152 . 20 LEU HD1 H 0.81 0.01 1 153 . 20 LEU HD2 H 0.81 0.01 1 154 . 20 LEU C C 180.71 0.01 1 155 . 20 LEU CA C 58.13 0.01 1 156 . 20 LEU N N 121.50 0.01 1 157 . 21 ASN H H 8.25 0.01 1 158 . 21 ASN HA H 4.59 0.01 1 159 . 21 ASN HB2 H 2.73 0.01 2 160 . 21 ASN HB3 H 3.21 0.01 2 161 . 21 ASN HD21 H 8.56 0.01 9 162 . 21 ASN HD22 H 8.29 0.01 9 163 . 21 ASN C C 177.44 0.01 1 164 . 21 ASN CA C 56.10 0.01 1 165 . 21 ASN N N 116.67 0.01 1 166 . 22 GLU H H 8.19 0.01 1 167 . 22 GLU HA H 4.06 0.01 1 168 . 22 GLU HB2 H 2.20 0.01 2 169 . 22 GLU HB3 H 2.31 0.01 2 170 . 22 GLU HG2 H 2.47 0.01 1 171 . 22 GLU HG3 H 2.47 0.01 1 172 . 22 GLU C C 178.13 0.01 1 173 . 22 GLU CA C 58.86 0.01 1 174 . 22 GLU N N 120.52 0.01 1 175 . 23 GLN H H 7.55 0.01 1 176 . 23 GLN HA H 4.42 0.01 1 177 . 23 GLN HB2 H 2.02 0.01 2 178 . 23 GLN HB3 H 2.27 0.01 2 179 . 23 GLN HG2 H 2.46 0.01 2 180 . 23 GLN HG3 H 2.55 0.01 2 181 . 23 GLN HE21 H 7.49 0.01 2 182 . 23 GLN HE22 H 6.85 0.01 2 183 . 23 GLN C C 175.59 0.01 1 184 . 23 GLN CA C 55.31 0.01 1 185 . 23 GLN N N 115.39 0.01 1 186 . 24 SER H H 7.33 0.01 9 187 . 24 SER HA H 4.49 0.01 1 188 . 24 SER HB2 H 4.20 0.01 2 189 . 24 SER HB3 H 4.09 0.01 2 190 . 24 SER CA C 57.42 0.01 9 191 . 24 SER N N 115.08 0.01 9 192 . 25 SER H H 8.69 0.01 1 193 . 25 SER HA H 4.73 0.01 1 194 . 25 SER HB2 H 4.00 0.01 2 195 . 25 SER HB3 H 3.91 0.01 2 196 . 25 SER C C 175.28 0.01 1 197 . 25 SER CA C 57.25 0.01 1 198 . 25 SER N N 117.33 0.01 1 199 . 26 GLU H H 8.37 0.01 1 200 . 26 GLU HA H 4.37 0.01 1 201 . 26 GLU HB2 H 1.91 0.01 2 202 . 26 GLU HB3 H 2.36 0.01 2 203 . 26 GLU HG2 H 2.71 0.01 1 204 . 26 GLU HG3 H 2.71 0.01 1 205 . 26 GLU C C 174.20 0.01 1 206 . 26 GLU CA C 56.20 0.01 1 207 . 26 GLU N N 121.75 0.01 1 208 . 27 ALA H H 8.67 0.01 1 209 . 27 ALA HA H 4.16 0.01 1 210 . 27 ALA HB H 1.47 0.01 1 211 . 27 ALA C C 178.00 0.01 9 212 . 27 ALA CA C 54.87 0.01 1 213 . 27 ALA N N 121.12 0.01 1 214 . 28 ASN H H 8.39 0.01 9 215 . 28 ASN HA H 5.33 0.01 1 216 . 28 ASN HB2 H 2.66 0.01 2 217 . 28 ASN HB3 H 2.82 0.01 2 218 . 28 ASN HD21 H 7.99 0.01 2 219 . 28 ASN HD22 H 6.65 0.01 2 220 . 28 ASN C C 175.00 0.01 1 221 . 28 ASN CA C 52.07 0.01 1 222 . 28 ASN N N 114.97 0.01 1 223 . 29 LEU H H 8.31 0.01 1 224 . 29 LEU HA H 3.93 0.01 1 225 . 29 LEU HB2 H 1.55 0.01 2 226 . 29 LEU HB3 H 1.32 0.01 2 227 . 29 LEU HD1 H 0.93 0.01 2 228 . 29 LEU HD2 H 0.91 0.01 2 229 . 29 LEU C C 177.91 0.01 9 230 . 29 LEU CA C 54.88 0.01 1 231 . 29 LEU N N 118.60 0.01 1 232 . 30 TYR H H 9.62 0.01 9 233 . 30 TYR HA H 4.90 0.01 1 234 . 30 TYR HB2 H 2.95 0.01 9 235 . 30 TYR HB3 H 2.54 0.01 9 236 . 30 TYR HD1 H 7.01 0.01 1 237 . 30 TYR HD2 H 7.01 0.01 1 238 . 30 TYR HE1 H 6.64 0.01 1 239 . 30 TYR HE2 H 6.64 0.01 1 240 . 30 TYR C C 174.61 0.01 9 241 . 30 TYR CA C 58.49 0.01 9 242 . 30 TYR N N 126.27 0.01 9 243 . 31 ARG H H 8.58 0.01 9 244 . 31 ARG HA H 4.83 0.01 1 245 . 31 ARG HB2 H 1.48 0.01 2 246 . 31 ARG HB3 H 1.43 0.01 2 247 . 31 ARG HG2 H 1.49 0.01 1 248 . 31 ARG HG3 H 1.49 0.01 1 249 . 31 ARG C C 175.15 0.01 1 250 . 31 ARG CA C 53.35 0.01 9 251 . 31 ARG N N 119.79 0.01 9 252 . 32 LEU H H 8.89 0.01 1 253 . 32 LEU HA H 4.24 0.01 1 254 . 32 LEU HB2 H 1.90 0.01 2 255 . 32 LEU HB3 H 1.27 0.01 2 256 . 32 LEU HD1 H 0.81 0.01 2 257 . 32 LEU HD2 H 0.76 0.01 2 258 . 32 LEU C C 174.05 0.01 1 259 . 32 LEU CA C 57.10 0.01 1 260 . 32 LEU N N 125.13 0.01 1 261 . 33 LEU H H 9.43 0.01 1 262 . 33 LEU HA H 4.84 0.01 1 263 . 33 LEU HB2 H 1.96 0.01 2 264 . 33 LEU HB3 H 1.05 0.01 2 265 . 33 LEU HG H 1.36 0.01 1 266 . 33 LEU HD1 H 0.74 0.01 2 267 . 33 LEU HD2 H 0.38 0.01 2 268 . 33 LEU C C 175.62 0.01 1 269 . 33 LEU CA C 55.80 0.01 1 270 . 33 LEU N N 131.26 0.01 1 271 . 34 GLU H H 7.69 0.01 1 272 . 34 GLU HA H 4.66 0.01 1 273 . 34 GLU HB2 H 2.01 0.01 2 274 . 34 GLU HB3 H 1.90 0.01 2 275 . 34 GLU HG2 H 2.17 0.01 1 276 . 34 GLU HG3 H 2.17 0.01 1 277 . 34 GLU C C 173.59 0.01 1 278 . 34 GLU CA C 55.25 0.01 1 279 . 34 GLU N N 117.36 0.01 1 280 . 35 LEU H H 8.68 0.01 1 281 . 35 LEU HA H 4.87 0.01 1 282 . 35 LEU HB2 H 1.93 0.01 2 283 . 35 LEU HB3 H 1.53 0.01 2 284 . 35 LEU HG H 1.76 0.01 1 285 . 35 LEU HD1 H 1.09 0.01 2 286 . 35 LEU HD2 H 0.90 0.01 2 287 . 35 LEU C C 175.09 0.01 1 288 . 35 LEU CA C 54.04 0.01 1 289 . 35 LEU N N 125.05 0.01 1 290 . 36 ASP H H 8.58 0.01 1 291 . 36 ASP HA H 4.82 0.01 1 292 . 36 ASP HB2 H 2.76 0.01 2 293 . 36 ASP HB3 H 2.79 0.01 2 294 . 36 ASP C C 175.79 0.01 9 295 . 36 ASP CA C 53.90 0.01 1 296 . 36 ASP N N 126.84 0.01 1 297 . 37 GLN H H 8.64 0.01 9 298 . 37 GLN HA H 4.58 0.01 1 299 . 37 GLN HB2 H 2.00 0.01 1 300 . 37 GLN HB3 H 2.00 0.01 1 301 . 37 GLN HG2 H 2.30 0.01 2 302 . 37 GLN HG3 H 2.36 0.01 2 303 . 37 GLN HE21 H 7.65 0.01 9 304 . 37 GLN HE22 H 6.87 0.01 9 305 . 37 GLN CA C 55.60 0.01 1 306 . 37 GLN N N 122.80 0.01 9 307 . 38 PRO HA H 4.74 0.01 1 308 . 38 PRO HB2 H 1.81 0.01 2 309 . 38 PRO HB3 H 2.16 0.01 2 310 . 38 PRO HG2 H 1.62 0.01 1 311 . 38 PRO HG3 H 1.62 0.01 1 312 . 38 PRO HD2 H 3.83 0.01 2 313 . 38 PRO HD3 H 3.22 0.01 2 314 . 38 PRO CA C 61.27 0.01 1 315 . 39 PRO HA H 4.37 0.01 1 316 . 39 PRO HB2 H 1.83 0.01 2 317 . 39 PRO HB3 H 2.31 0.01 2 318 . 39 PRO HG2 H 2.01 0.01 1 319 . 39 PRO HG3 H 2.01 0.01 1 320 . 39 PRO HD2 H 3.76 0.01 2 321 . 39 PRO HD3 H 3.53 0.01 2 322 . 39 PRO C C 176.60 0.01 1 323 . 39 PRO CA C 62.80 0.01 9 324 . 40 LYS H H 8.43 0.01 9 325 . 40 LYS HA H 4.09 0.01 1 326 . 40 LYS HB2 H 1.82 0.01 1 327 . 40 LYS HB3 H 1.82 0.01 1 328 . 40 LYS HG2 H 1.39 0.01 1 329 . 40 LYS HG3 H 1.39 0.01 1 330 . 40 LYS C C 180.40 0.01 1 331 . 40 LYS CA C 56.40 0.01 9 332 . 40 LYS N N 118.41 0.01 9 333 . 41 ALA H H 7.90 0.01 1 334 . 41 ALA HA H 3.97 0.01 1 335 . 41 ALA C C 176.53 0.01 1 336 . 41 ALA CA C 53.38 0.01 9 337 . 41 ALA N N 123.68 0.01 1 338 . 42 ASP H H 8.14 0.01 9 339 . 42 ASP HA H 4.69 0.01 1 340 . 42 ASP HB2 H 2.56 0.01 2 341 . 42 ASP HB3 H 2.78 0.01 2 342 . 42 ASP C C 176.32 0.01 9 343 . 42 ASP CA C 53.80 0.01 1 344 . 42 ASP N N 115.37 0.01 9 345 . 43 GLU H H 7.92 0.01 9 346 . 43 GLU HA H 4.30 0.01 1 347 . 43 GLU HB2 H 1.90 0.01 2 348 . 43 GLU HB3 H 2.14 0.01 2 349 . 43 GLU HG2 H 2.21 0.01 1 350 . 43 GLU HG3 H 2.21 0.01 1 351 . 43 GLU C C 175.73 0.01 9 352 . 43 GLU CA C 55.67 0.01 1 353 . 43 GLU N N 119.31 0.01 9 354 . 44 ASP H H 8.58 0.01 9 355 . 44 ASP HA H 4.65 0.01 1 356 . 44 ASP HB2 H 2.61 0.01 2 357 . 44 ASP HB3 H 2.90 0.01 2 358 . 44 ASP CA C 52.90 0.01 9 359 . 44 ASP N N 118.84 0.01 9 360 . 45 PRO HA H 4.32 0.01 1 361 . 45 PRO HB2 H 1.94 0.01 2 362 . 45 PRO HB3 H 2.23 0.01 2 363 . 45 PRO HG2 H 2.40 0.01 1 364 . 45 PRO HG3 H 2.40 0.01 1 365 . 45 PRO HD2 H 3.83 0.01 1 366 . 45 PRO HD3 H 3.83 0.01 1 367 . 45 PRO C C 177.08 0.01 1 368 . 45 PRO CA C 64.30 0.01 1 369 . 46 GLY H H 8.68 0.01 1 370 . 46 GLY HA2 H 4.20 0.01 2 371 . 46 GLY HA3 H 3.78 0.01 2 372 . 46 GLY C C 174.51 0.01 1 373 . 46 GLY CA C 45.25 0.01 1 374 . 46 GLY N N 106.70 0.01 1 375 . 47 THR H H 7.57 0.01 1 376 . 47 THR HA H 4.69 0.01 1 377 . 47 THR HB H 4.17 0.01 1 378 . 47 THR HG2 H 1.30 0.01 1 379 . 47 THR CA C 59.30 0.01 1 380 . 47 THR N N 115.84 0.01 1 381 . 48 PRO HA H 4.56 0.01 1 382 . 48 PRO HB2 H 1.80 0.01 2 383 . 48 PRO HB3 H 2.22 0.01 2 384 . 48 PRO HG2 H 1.93 0.01 2 385 . 48 PRO HG3 H 2.11 0.01 2 386 . 48 PRO HD2 H 4.04 0.01 2 387 . 48 PRO HD3 H 3.72 0.01 2 388 . 48 PRO C C 176.36 0.01 9 389 . 48 PRO CA C 63.18 0.01 1 390 . 49 LYS H H 9.26 0.01 9 391 . 49 LYS HA H 5.07 0.01 9 392 . 49 LYS HB2 H 2.30 0.01 1 393 . 49 LYS HB3 H 2.30 0.01 1 394 . 49 LYS HG2 H 1.67 0.01 1 395 . 49 LYS HG3 H 1.67 0.01 1 396 . 49 LYS HD2 H 1.85 0.01 1 397 . 49 LYS HD3 H 1.85 0.01 1 398 . 49 LYS CA C 52.92 0.01 9 399 . 49 LYS N N 122.39 0.01 9 400 . 50 PRO HA H 4.97 0.01 1 401 . 50 PRO HB2 H 2.25 0.01 2 402 . 50 PRO HB3 H 2.41 0.01 2 403 . 50 PRO HG2 H 2.14 0.01 2 404 . 50 PRO HG3 H 2.19 0.01 2 405 . 50 PRO HD2 H 3.94 0.01 2 406 . 50 PRO HD3 H 3.79 0.01 2 407 . 50 PRO C C 176.12 0.01 1 408 . 50 PRO CA C 62.42 0.01 1 409 . 51 VAL H H 8.62 0.01 1 410 . 51 VAL HA H 4.72 0.01 1 411 . 51 VAL HG1 H 0.83 0.01 1 412 . 51 VAL HG2 H 0.80 0.01 1 413 . 51 VAL C C 174.14 0.01 1 414 . 51 VAL CA C 59.54 0.01 1 415 . 51 VAL N N 116.89 0.01 1 416 . 52 SER H H 8.58 0.01 1 417 . 52 SER HA H 5.30 0.01 1 418 . 52 SER HB2 H 3.83 0.01 1 419 . 52 SER HB3 H 3.83 0.01 1 420 . 52 SER C C 172.88 0.01 1 421 . 52 SER CA C 56.98 0.01 1 422 . 52 SER N N 118.50 0.01 1 423 . 53 PHE H H 8.66 0.01 1 424 . 53 PHE HA H 5.45 0.01 1 425 . 53 PHE HB2 H 3.32 0.01 1 426 . 53 PHE HB3 H 3.32 0.01 1 427 . 53 PHE HD1 H 6.71 0.01 1 428 . 53 PHE HD2 H 6.71 0.01 1 429 . 53 PHE HE1 H 6.82 0.01 1 430 . 53 PHE HE2 H 6.82 0.01 1 431 . 53 PHE HZ H 6.75 0.01 1 432 . 53 PHE C C 172.86 0.01 1 433 . 53 PHE CA C 55.62 0.01 1 434 . 53 PHE N N 120.77 0.01 1 435 . 54 THR H H 9.18 0.01 1 436 . 54 THR HA H 5.65 0.01 1 437 . 54 THR HB H 4.14 0.01 1 438 . 54 THR HG2 H 1.19 0.01 1 439 . 54 THR C C 175.97 0.01 1 440 . 54 THR CA C 58.40 0.01 1 441 . 54 THR N N 110.71 0.01 1 442 . 55 VAL H H 9.01 0.01 1 443 . 55 VAL HA H 5.36 0.01 1 444 . 55 VAL HB H 2.18 0.01 1 445 . 55 VAL HG1 H 1.09 0.01 2 446 . 55 VAL HG2 H 0.80 0.01 2 447 . 55 VAL C C 173.63 0.01 1 448 . 55 VAL CA C 58.12 0.01 1 449 . 55 VAL N N 113.27 0.01 1 450 . 56 LYS H H 9.31 0.01 1 451 . 56 LYS HA H 5.74 0.01 1 452 . 56 LYS HB2 H 1.83 0.01 2 453 . 56 LYS HB3 H 1.60 0.01 2 454 . 56 LYS HG2 H 1.38 0.01 1 455 . 56 LYS HG3 H 1.38 0.01 1 456 . 56 LYS HD2 H 1.24 0.01 2 457 . 56 LYS HD3 H 1.03 0.01 2 458 . 56 LYS HE2 H 2.81 0.01 2 459 . 56 LYS HE3 H 3.05 0.01 2 460 . 56 LYS C C 173.98 0.01 1 461 . 56 LYS CA C 54.12 0.01 1 462 . 56 LYS N N 120.87 0.01 1 463 . 57 GLU H H 8.50 0.01 1 464 . 57 GLU HA H 2.79 0.01 1 465 . 57 GLU HB2 H 1.82 0.01 1 466 . 57 GLU HB3 H 1.82 0.01 1 467 . 57 GLU HG2 H 1.92 0.01 2 468 . 57 GLU HG3 H 2.11 0.01 2 469 . 57 GLU C C 175.50 0.01 1 470 . 57 GLU CA C 57.56 0.01 1 471 . 57 GLU N N 129.29 0.01 1 472 . 58 THR H H 7.97 0.01 1 473 . 58 THR HA H 5.21 0.01 1 474 . 58 THR HB H 4.14 0.01 1 475 . 58 THR HG2 H 0.95 0.01 1 476 . 58 THR C C 174.26 0.01 1 477 . 58 THR CA C 60.42 0.01 1 478 . 58 THR N N 114.21 0.01 1 479 . 59 VAL H H 7.93 0.01 1 480 . 59 VAL HA H 4.11 0.01 1 481 . 59 VAL HB H 2.51 0.01 1 482 . 59 VAL HG1 H 0.99 0.01 2 483 . 59 VAL HG2 H 0.88 0.01 2 484 . 59 VAL C C 177.53 0.01 1 485 . 59 VAL CA C 61.08 0.01 1 486 . 59 VAL N N 105.27 0.01 1 487 . 60 CYS H H 8.26 0.01 1 488 . 60 CYS HA H 4.55 0.01 1 489 . 60 CYS HB2 H 2.85 0.01 1 490 . 60 CYS HB3 H 3.45 0.01 1 491 . 60 CYS CA C 52.43 0.01 1 492 . 60 CYS N N 121.53 0.01 1 493 . 61 PRO HA H 4.94 0.01 1 494 . 61 PRO HB2 H 1.94 0.01 2 495 . 61 PRO HB3 H 2.51 0.01 2 496 . 61 PRO HG2 H 2.03 0.01 2 497 . 61 PRO HG3 H 2.13 0.01 2 498 . 61 PRO HD2 H 4.25 0.01 2 499 . 61 PRO HD3 H 3.58 0.01 2 500 . 61 PRO C C 177.30 0.01 9 501 . 61 PRO CA C 62.03 0.01 1 502 . 62 ARG H H 9.27 0.01 9 503 . 62 ARG HA H 3.96 0.01 1 504 . 62 ARG HB2 H 1.55 0.01 1 505 . 62 ARG HB3 H 1.55 0.01 1 506 . 62 ARG HG2 H 1.33 0.01 1 507 . 62 ARG HG3 H 1.33 0.01 1 508 . 62 ARG HD2 H 3.20 0.01 2 509 . 62 ARG HD3 H 3.28 0.01 2 510 . 62 ARG CA C 60.89 0.01 9 511 . 62 ARG N N 126.14 0.01 9 512 . 63 PRO HA H 4.54 0.01 1 513 . 63 PRO HB2 H 1.90 0.01 2 514 . 63 PRO HB3 H 2.34 0.01 2 515 . 63 PRO HG2 H 2.03 0.01 1 516 . 63 PRO HG3 H 2.03 0.01 1 517 . 63 PRO HD2 H 3.83 0.01 2 518 . 63 PRO HD3 H 3.44 0.01 2 519 . 63 PRO C C 176.92 0.01 1 520 . 63 PRO CA C 64.22 0.01 9 521 . 64 THR H H 7.55 0.01 1 522 . 64 THR HA H 4.10 0.01 1 523 . 64 THR HB H 4.28 0.01 1 524 . 64 THR HG2 H 1.32 0.01 1 525 . 64 THR C C 174.97 0.01 9 526 . 64 THR CA C 63.46 0.01 1 527 . 64 THR N N 110.10 0.01 9 528 . 65 ARG H H 8.20 0.01 9 529 . 65 ARG HA H 4.17 0.01 9 530 . 65 ARG HB2 H 2.04 0.01 1 531 . 65 ARG HB3 H 2.04 0.01 1 532 . 65 ARG HG2 H 1.65 0.01 2 533 . 65 ARG HG3 H 1.80 0.01 2 534 . 65 ARG HD2 H 3.21 0.01 1 535 . 65 ARG HD3 H 3.21 0.01 1 536 . 65 ARG C C 175.69 0.01 9 537 . 65 ARG CA C 55.95 0.01 9 538 . 65 ARG N N 119.28 0.01 9 539 . 66 GLN H H 7.43 0.01 9 540 . 66 GLN HA H 4.49 0.01 1 541 . 66 GLN HB2 H 1.88 0.01 1 542 . 66 GLN HB3 H 1.88 0.01 1 543 . 66 GLN HG2 H 2.04 0.01 2 544 . 66 GLN HG3 H 2.26 0.01 2 545 . 66 GLN CA C 54.00 0.01 9 546 . 66 GLN N N 120.19 0.01 9 547 . 67 PRO HA H 4.65 0.01 1 548 . 67 PRO HB2 H 1.82 0.01 2 549 . 67 PRO HB3 H 2.37 0.01 2 550 . 67 PRO HG2 H 2.00 0.01 2 551 . 67 PRO HG3 H 2.10 0.01 2 552 . 67 PRO HD2 H 3.89 0.01 2 553 . 67 PRO HD3 H 3.54 0.01 2 554 . 67 PRO CA C 60.73 0.01 1 555 . 68 PRO HA H 3.79 0.01 1 556 . 68 PRO HB2 H 2.00 0.01 2 557 . 68 PRO HB3 H 2.22 0.01 2 558 . 68 PRO HG2 H 2.00 0.01 1 559 . 68 PRO HG3 H 2.00 0.01 1 560 . 68 PRO HD2 H 4.00 0.01 2 561 . 68 PRO HD3 H 3.88 0.01 2 562 . 68 PRO C C 177.80 0.01 1 563 . 68 PRO CA C 65.36 0.01 1 564 . 69 GLU H H 8.33 0.01 1 565 . 69 GLU HA H 3.81 0.01 1 566 . 69 GLU HB2 H 1.90 0.01 2 567 . 69 GLU HB3 H 2.01 0.01 2 568 . 69 GLU HG2 H 2.21 0.01 1 569 . 69 GLU HG3 H 2.21 0.01 1 570 . 69 GLU C C 176.61 0.01 1 571 . 69 GLU CA C 57.86 0.01 1 572 . 69 GLU N N 111.70 0.01 1 573 . 70 LEU H H 7.75 0.01 1 574 . 70 LEU HA H 4.34 0.01 1 575 . 70 LEU HB2 H 1.70 0.01 1 576 . 70 LEU HB3 H 1.70 0.01 1 577 . 70 LEU HG H 1.53 0.01 1 578 . 70 LEU HD1 H 0.80 0.01 2 579 . 70 LEU HD2 H 0.78 0.01 2 580 . 70 LEU C C 176.83 0.01 1 581 . 70 LEU CA C 53.97 0.01 1 582 . 70 LEU N N 117.11 0.01 1 583 . 71 CYS H H 7.74 0.01 1 584 . 71 CYS HA H 4.52 0.01 1 585 . 71 CYS HB2 H 3.57 0.01 1 586 . 71 CYS HB3 H 2.55 0.01 1 587 . 71 CYS C C 172.79 0.01 1 588 . 71 CYS CA C 56.00 0.01 1 589 . 71 CYS N N 121.08 0.01 1 590 . 72 ASP H H 8.47 0.01 1 591 . 72 ASP HA H 4.16 0.01 1 592 . 72 ASP HB2 H 2.41 0.01 2 593 . 72 ASP HB3 H 2.61 0.01 2 594 . 72 ASP C C 176.19 0.01 1 595 . 72 ASP CA C 54.10 0.01 1 596 . 72 ASP N N 123.48 0.01 1 597 . 73 PHE H H 8.15 0.01 1 598 . 73 PHE HA H 4.33 0.01 1 599 . 73 PHE HB2 H 2.75 0.01 2 600 . 73 PHE HB3 H 2.80 0.01 2 601 . 73 PHE HD1 H 7.16 0.01 1 602 . 73 PHE HD2 H 7.16 0.01 1 603 . 73 PHE HE1 H 7.31 0.01 1 604 . 73 PHE HE2 H 7.31 0.01 1 605 . 73 PHE HZ H 7.51 0.01 1 606 . 73 PHE C C 176.37 0.01 9 607 . 73 PHE CA C 59.48 0.01 1 608 . 73 PHE N N 117.57 0.01 1 609 . 74 LYS H H 9.06 0.01 1 610 . 74 LYS HA H 4.04 0.01 1 611 . 74 LYS HB2 H 1.35 0.01 2 612 . 74 LYS HB3 H 1.15 0.01 2 613 . 74 LYS HG2 H 1.27 0.01 2 614 . 74 LYS HG3 H 1.23 0.01 2 615 . 74 LYS HD2 H 1.42 0.01 2 616 . 74 LYS HD3 H 1.34 0.01 2 617 . 74 LYS HE2 H 2.87 0.01 1 618 . 74 LYS HE3 H 2.87 0.01 1 619 . 74 LYS C C 177.48 0.01 1 620 . 74 LYS CA C 55.63 0.01 1 621 . 74 LYS N N 124.56 0.01 1 622 . 75 GLU H H 8.99 0.01 1 623 . 75 GLU HA H 4.01 0.01 1 624 . 75 GLU HB2 H 1.90 0.01 2 625 . 75 GLU HB3 H 2.00 0.01 2 626 . 75 GLU HG2 H 2.25 0.01 1 627 . 75 GLU HG3 H 2.25 0.01 1 628 . 75 GLU C C 177.60 0.01 1 629 . 75 GLU CA C 58.40 0.01 1 630 . 75 GLU N N 130.39 0.01 1 631 . 76 ASN H H 8.93 0.01 1 632 . 76 ASN HA H 4.62 0.01 1 633 . 76 ASN HB2 H 2.96 0.01 2 634 . 76 ASN HB3 H 2.89 0.01 2 635 . 76 ASN HD21 H 7.61 0.01 2 636 . 76 ASN HD22 H 6.92 0.01 2 637 . 76 ASN C C 175.72 0.01 1 638 . 76 ASN CA C 53.50 0.01 1 639 . 76 ASN N N 119.40 0.01 1 640 . 77 GLY H H 7.88 0.01 1 641 . 77 GLY HA2 H 3.94 0.01 2 642 . 77 GLY HA3 H 3.45 0.01 2 643 . 77 GLY C C 172.33 0.01 1 644 . 77 GLY CA C 45.50 0.01 1 645 . 77 GLY N N 104.68 0.01 1 646 . 78 ARG H H 8.96 0.01 1 647 . 78 ARG HA H 4.24 0.01 1 648 . 78 ARG HB2 H 1.90 0.01 2 649 . 78 ARG HB3 H 2.40 0.01 2 650 . 78 ARG HG2 H 1.81 0.01 1 651 . 78 ARG HG3 H 1.81 0.01 1 652 . 78 ARG HD2 H 3.30 0.01 1 653 . 78 ARG HD3 H 3.30 0.01 1 654 . 78 ARG C C 175.30 0.01 1 655 . 78 ARG CA C 57.35 0.01 1 656 . 78 ARG N N 123.54 0.01 1 657 . 79 VAL H H 8.67 0.01 1 658 . 79 VAL HA H 5.19 0.01 1 659 . 79 VAL HB H 1.89 0.01 1 660 . 79 VAL HG1 H 0.97 0.01 2 661 . 79 VAL HG2 H 0.93 0.01 2 662 . 79 VAL C C 176.17 0.01 9 663 . 79 VAL CA C 60.63 0.01 1 664 . 79 VAL N N 120.61 0.01 1 665 . 80 LYS H H 8.84 0.01 1 666 . 80 LYS HA H 5.12 0.01 1 667 . 80 LYS HB2 H 1.37 0.01 2 668 . 80 LYS HB3 H 1.27 0.01 2 669 . 80 LYS HG2 H 1.03 0.01 1 670 . 80 LYS HG3 H 1.03 0.01 1 671 . 80 LYS HD2 H 1.09 0.01 1 672 . 80 LYS HD3 H 1.09 0.01 1 673 . 80 LYS C C 174.05 0.01 1 674 . 80 LYS CA C 53.75 0.01 1 675 . 80 LYS N N 120.81 0.01 1 676 . 81 GLN H H 8.81 0.01 1 677 . 81 GLN HA H 4.74 0.01 1 678 . 81 GLN HB2 H 2.06 0.01 2 679 . 81 GLN HB3 H 1.88 0.01 2 680 . 81 GLN HG2 H 2.18 0.01 1 681 . 81 GLN HG3 H 2.18 0.01 1 682 . 81 GLN HE21 H 7.02 0.01 2 683 . 81 GLN HE22 H 6.80 0.01 2 684 . 81 GLN C C 175.28 0.01 1 685 . 81 GLN CA C 54.28 0.01 1 686 . 81 GLN N N 121.14 0.01 1 687 . 82 CYS H H 9.38 0.01 1 688 . 82 CYS HA H 5.44 0.01 1 689 . 82 CYS HB2 H 1.84 0.01 1 690 . 82 CYS HB3 H 1.02 0.01 1 691 . 82 CYS C C 172.76 0.01 1 692 . 82 CYS CA C 54.60 0.01 1 693 . 82 CYS N N 126.96 0.01 1 694 . 83 VAL H H 8.53 0.01 1 695 . 83 VAL HA H 5.07 0.01 1 696 . 83 VAL HB H 2.13 0.01 1 697 . 83 VAL HG1 H 0.98 0.01 2 698 . 83 VAL HG2 H 0.92 0.01 2 699 . 83 VAL C C 175.11 0.01 1 700 . 83 VAL CA C 59.31 0.01 1 701 . 83 VAL N N 117.02 0.01 1 702 . 84 GLY H H 8.02 0.01 1 703 . 84 GLY HA2 H 5.01 0.01 2 704 . 84 GLY HA3 H 4.38 0.01 2 705 . 84 GLY C C 173.06 0.01 1 706 . 84 GLY CA C 45.43 0.01 1 707 . 84 GLY N N 110.46 0.01 1 708 . 85 THR H H 8.93 0.01 1 709 . 85 THR HA H 5.48 0.01 1 710 . 85 THR HB H 3.90 0.01 1 711 . 85 THR HG2 H 1.10 0.01 1 712 . 85 THR C C 173.15 0.01 1 713 . 85 THR CA C 60.23 0.01 1 714 . 85 THR N N 118.03 0.01 1 715 . 86 VAL H H 8.85 0.01 1 716 . 86 VAL HA H 4.85 0.01 1 717 . 86 VAL HB H 2.00 0.01 1 718 . 86 VAL HG1 H 0.77 0.01 2 719 . 86 VAL HG2 H 0.70 0.01 2 720 . 86 VAL CA C 59.14 0.01 1 721 . 86 VAL N N 113.14 0.01 1 722 . 87 THR H H 8.33 0.01 1 723 . 87 THR HA H 4.72 0.01 1 724 . 87 THR HB H 4.18 0.01 1 725 . 87 THR HG2 H 1.14 0.01 1 726 . 87 THR C C 176.85 0.01 1 727 . 87 THR CA C 60.17 0.01 1 728 . 87 THR N N 115.30 0.01 1 729 . 88 LEU H H 8.69 0.01 1 730 . 88 LEU HA H 4.21 0.01 1 731 . 88 LEU HB2 H 2.13 0.01 2 732 . 88 LEU HB3 H 1.68 0.01 2 733 . 88 LEU HG H 1.68 0.01 1 734 . 88 LEU HD1 H 0.65 0.01 1 735 . 88 LEU HD2 H 0.65 0.01 1 736 . 88 LEU C C 176.96 0.01 1 737 . 88 LEU CA C 55.78 0.01 1 738 . 88 LEU N N 120.61 0.01 1 739 . 89 ASP H H 7.94 0.01 1 740 . 89 ASP HA H 4.60 0.01 1 741 . 89 ASP HB2 H 2.50 0.01 2 742 . 89 ASP HB3 H 2.70 0.01 2 743 . 89 ASP C C 176.14 0.01 1 744 . 89 ASP CA C 53.59 0.01 1 745 . 89 ASP N N 116.65 0.01 1 746 . 90 GLN H H 8.01 0.01 1 747 . 90 GLN HA H 4.27 0.01 1 748 . 90 GLN HB2 H 1.99 0.01 2 749 . 90 GLN HB3 H 2.11 0.01 2 750 . 90 GLN HG2 H 2.31 0.01 1 751 . 90 GLN HG3 H 2.31 0.01 1 752 . 90 GLN C C 175.74 0.01 1 753 . 90 GLN CA C 55.67 0.01 1 754 . 90 GLN N N 119.26 0.01 1 755 . 91 ILE H H 8.06 0.01 1 756 . 91 ILE HA H 4.06 0.01 1 757 . 91 ILE HB H 1.91 0.01 1 758 . 91 ILE HG12 H 1.18 0.01 2 759 . 91 ILE HG13 H 1.40 0.01 2 760 . 91 ILE HG2 H 0.84 0.01 1 761 . 91 ILE HD1 H 0.87 0.01 1 762 . 91 ILE C C 176.27 0.01 1 763 . 91 ILE CA C 61.86 0.01 1 764 . 91 ILE N N 119.06 0.01 1 765 . 92 LYS H H 8.09 0.01 1 766 . 92 LYS HA H 4.31 0.01 1 767 . 92 LYS HB2 H 1.72 0.01 1 768 . 92 LYS HB3 H 1.72 0.01 1 769 . 92 LYS HG2 H 1.35 0.01 2 770 . 92 LYS HG3 H 1.42 0.01 2 771 . 92 LYS HD2 H 1.66 0.01 1 772 . 92 LYS HD3 H 1.66 0.01 1 773 . 92 LYS HE2 H 2.98 0.01 1 774 . 92 LYS HE3 H 2.98 0.01 1 775 . 92 LYS C C 175.72 0.01 1 776 . 92 LYS CA C 55.90 0.01 1 777 . 92 LYS N N 121.60 0.01 1 778 . 93 ASP H H 8.09 0.01 1 779 . 93 ASP HA H 4.80 0.01 1 780 . 93 ASP HB2 H 2.51 0.01 2 781 . 93 ASP HB3 H 2.64 0.01 2 782 . 93 ASP CA C 52.84 0.01 1 783 . 93 ASP N N 121.11 0.01 1 784 . 94 PRO HA H 4.45 0.01 1 785 . 94 PRO HB2 H 1.85 0.01 2 786 . 94 PRO HB3 H 2.27 0.01 2 787 . 94 PRO HG2 H 1.97 0.01 1 788 . 94 PRO HG3 H 1.97 0.01 1 789 . 94 PRO HD2 H 3.80 0.01 2 790 . 94 PRO HD3 H 3.65 0.01 2 791 . 94 PRO C C 176.83 0.01 1 792 . 94 PRO CA C 63.24 0.01 1 793 . 95 LEU H H 8.40 0.01 1 794 . 95 LEU HA H 4.34 0.01 1 795 . 95 LEU HB2 H 1.63 0.01 1 796 . 95 LEU HB3 H 1.63 0.01 1 797 . 95 LEU HG H 1.74 0.01 1 798 . 95 LEU HD1 H 0.94 0.01 2 799 . 95 LEU HD2 H 1.00 0.01 2 800 . 95 LEU C C 176.75 0.01 1 801 . 95 LEU CA C 54.87 0.01 1 802 . 95 LEU N N 121.75 0.01 1 803 . 96 ASP H H 8.79 0.01 9 804 . 96 ASP HA H 4.83 0.01 1 805 . 96 ASP HB2 H 2.48 0.01 2 806 . 96 ASP HB3 H 2.77 0.01 2 807 . 96 ASP C C 174.95 0.01 1 808 . 96 ASP CA C 53.28 0.01 1 809 . 96 ASP N N 124.45 0.01 1 810 . 97 ILE H H 7.57 0.01 1 811 . 97 ILE HA H 4.72 0.01 1 812 . 97 ILE HB H 1.64 0.01 1 813 . 97 ILE HG12 H 1.08 0.01 1 814 . 97 ILE HG13 H 1.08 0.01 1 815 . 97 ILE HG2 H 0.73 0.01 1 816 . 97 ILE HD1 H 0.80 0.01 1 817 . 97 ILE C C 175.27 0.01 1 818 . 97 ILE CA C 59.42 0.01 1 819 . 97 ILE N N 117.91 0.01 1 820 . 98 THR H H 8.55 0.01 1 821 . 98 THR HA H 4.52 0.01 1 822 . 98 THR HB H 4.00 0.01 1 823 . 98 THR HG2 H 1.19 0.01 1 824 . 98 THR C C 173.76 0.01 1 825 . 98 THR CA C 60.92 0.01 1 826 . 98 THR N N 119.91 0.01 1 827 . 99 CYS H H 8.85 0.01 1 828 . 99 CYS HA H 5.69 0.01 1 829 . 99 CYS HB2 H 2.94 0.01 1 830 . 99 CYS HB3 H 2.32 0.01 1 831 . 99 CYS C C 173.15 0.01 1 832 . 99 CYS CA C 54.62 0.01 1 833 . 99 CYS N N 122.45 0.01 1 834 . 100 ASN H H 8.82 0.01 1 835 . 100 ASN HA H 5.01 0.01 1 836 . 100 ASN HB2 H 2.69 0.01 2 837 . 100 ASN HB3 H 2.64 0.01 2 838 . 100 ASN HD21 H 7.58 0.01 2 839 . 100 ASN HD22 H 6.87 0.01 2 840 . 100 ASN C C 174.00 0.01 1 841 . 100 ASN CA C 51.92 0.01 1 842 . 100 ASN N N 119.52 0.01 1 843 . 101 GLU H H 8.96 0.01 1 844 . 101 GLU HA H 4.48 0.01 1 845 . 101 GLU HB2 H 2.29 0.01 2 846 . 101 GLU HB3 H 2.04 0.01 2 847 . 101 GLU HG2 H 2.44 0.01 1 848 . 101 GLU HG3 H 2.44 0.01 1 849 . 101 GLU C C 176.08 0.01 1 850 . 101 GLU CA C 57.35 0.01 1 851 . 101 GLU N N 123.58 0.01 1 852 . 102 VAL H H 8.50 0.01 1 853 . 102 VAL HA H 4.27 0.01 1 854 . 102 VAL HB H 2.02 0.01 1 855 . 102 VAL HG1 H 0.91 0.01 2 856 . 102 VAL HG2 H 0.86 0.01 2 857 . 102 VAL C C 175.53 0.01 1 858 . 102 VAL CA C 61.46 0.01 1 859 . 102 VAL N N 123.65 0.01 1 860 . 103 GLN H H 8.54 0.01 1 861 . 103 GLN HA H 4.46 0.01 1 862 . 103 GLN HB2 H 2.04 0.01 1 863 . 103 GLN HB3 H 2.04 0.01 1 864 . 103 GLN HG2 H 2.15 0.01 2 865 . 103 GLN HG3 H 2.43 0.01 2 866 . 103 GLN HE21 H 7.58 0.01 2 867 . 103 GLN HE22 H 6.84 0.01 2 868 . 103 GLN C C 176.34 0.01 1 869 . 103 GLN CA C 55.59 0.01 1 870 . 103 GLN N N 123.92 0.01 1 871 . 104 GLY H H 8.50 0.01 1 872 . 104 GLY HA2 H 4.00 0.01 2 873 . 104 GLY HA3 H 3.90 0.01 2 874 . 104 GLY C C 173.21 0.01 1 875 . 104 GLY CA C 45.30 0.01 1 876 . 104 GLY N N 110.47 0.01 1 877 . 105 VAL H H 7.55 0.01 1 878 . 105 VAL HA H 4.08 0.01 1 879 . 105 VAL HG1 H 0.89 0.01 2 880 . 105 VAL HG2 H 0.84 0.01 2 881 . 105 VAL CA C 63.06 0.01 1 882 . 105 VAL N N 122.12 0.01 1 stop_ save_ save_trans88-cis119_shift_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cathelin-like domain of protegrins' _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 GLY HA2 H 3.90 0.01 1 2 . 1 GLY HA3 H 3.90 0.01 1 3 . 1 GLY CA C 43.03 0.01 1 4 . 2 SER H H 8.66 0.01 1 5 . 2 SER HA H 4.47 0.01 1 6 . 2 SER HB2 H 3.84 0.01 1 7 . 2 SER HB3 H 3.84 0.01 1 8 . 2 SER CA C 58.23 0.01 1 9 . 3 HIS H H 8.68 0.01 1 10 . 3 HIS HA H 4.45 0.01 1 11 . 3 HIS HB2 H 3.12 0.01 2 12 . 3 HIS HB3 H 3.22 0.01 2 13 . 3 HIS C C 174.48 0.01 1 14 . 3 HIS CA C 55.40 0.01 1 15 . 3 HIS N N 120.43 0.01 1 16 . 4 MET H H 8.41 0.01 1 17 . 4 MET HA H 4.47 0.01 1 18 . 4 MET HE H 2.07 0.01 1 19 . 4 MET C C 175.80 0.01 1 20 . 4 MET CA C 55.32 0.01 1 21 . 4 MET N N 121.44 0.01 1 22 . 5 GLN H H 8.41 0.01 1 23 . 5 GLN HA H 4.30 0.01 1 24 . 5 GLN HB2 H 2.19 0.01 2 25 . 5 GLN HB3 H 2.02 0.01 2 26 . 5 GLN HG2 H 2.37 0.01 1 27 . 5 GLN HG3 H 2.37 0.01 1 28 . 5 GLN C C 175.21 0.01 1 29 . 5 GLN CA C 55.68 0.01 1 30 . 5 GLN N N 121.90 0.01 1 31 . 6 ALA H H 8.32 0.01 1 32 . 6 ALA HA H 4.41 0.01 1 33 . 6 ALA HB H 1.34 0.01 1 34 . 6 ALA C C 177.67 0.01 1 35 . 6 ALA CA C 52.18 0.01 1 36 . 6 ALA N N 125.57 0.01 1 37 . 7 LEU H H 8.27 0.01 1 38 . 7 LEU HA H 4.43 0.01 1 39 . 7 LEU HB2 H 1.71 0.01 2 40 . 7 LEU HB3 H 1.66 0.01 2 41 . 7 LEU HG H 1.60 0.01 1 42 . 7 LEU HD1 H 0.81 0.01 1 43 . 7 LEU HD2 H 0.81 0.01 1 44 . 7 LEU C C 177.27 0.01 1 45 . 7 LEU CA C 54.47 0.01 1 46 . 7 LEU N N 121.22 0.01 1 47 . 8 SER H H 8.24 0.01 1 48 . 8 SER HA H 4.57 0.01 1 49 . 8 SER HB2 H 4.33 0.01 2 50 . 8 SER HB3 H 4.00 0.01 2 51 . 8 SER C C 174.93 0.01 1 52 . 8 SER CA C 57.28 0.01 1 53 . 8 SER N N 114.55 0.01 1 54 . 9 TYR H H 9.14 0.01 1 55 . 9 TYR HA H 3.97 0.01 1 56 . 9 TYR HB2 H 2.90 0.01 2 57 . 9 TYR HB3 H 3.05 0.01 2 58 . 9 TYR HD1 H 6.94 0.01 1 59 . 9 TYR HD2 H 6.94 0.01 1 60 . 9 TYR HE1 H 6.66 0.01 1 61 . 9 TYR HE2 H 6.66 0.01 1 62 . 9 TYR C C 176.67 0.01 1 63 . 9 TYR CA C 62.42 0.01 1 64 . 9 TYR N N 122.65 0.01 1 65 . 10 ARG H H 8.70 0.01 1 66 . 10 ARG HA H 3.59 0.01 1 67 . 10 ARG HB2 H 1.70 0.01 2 68 . 10 ARG HB3 H 1.82 0.01 2 69 . 10 ARG HG2 H 1.46 0.01 2 70 . 10 ARG HG3 H 1.39 0.01 2 71 . 10 ARG C C 178.03 0.01 1 72 . 10 ARG CA C 59.94 0.01 1 73 . 10 ARG N N 116.62 0.01 1 74 . 11 GLU H H 7.75 0.01 1 75 . 11 GLU HA H 3.85 0.01 1 76 . 11 GLU HB2 H 2.01 0.01 2 77 . 11 GLU HB3 H 2.26 0.01 2 78 . 11 GLU HG2 H 2.34 0.01 1 79 . 11 GLU HG3 H 2.34 0.01 1 80 . 11 GLU C C 179.10 0.01 1 81 . 11 GLU CA C 59.27 0.01 1 82 . 11 GLU N N 116.89 0.01 1 83 . 12 ALA H H 8.46 0.01 1 84 . 12 ALA HA H 3.94 0.01 1 85 . 12 ALA HB H 1.35 0.01 1 86 . 12 ALA C C 176.68 0.01 1 87 . 12 ALA CA C 55.01 0.01 1 88 . 12 ALA N N 122.15 0.01 1 89 . 13 VAL H H 7.91 0.01 1 90 . 13 VAL HA H 3.12 0.01 1 91 . 13 VAL HB H 1.85 0.01 1 92 . 13 VAL HG1 H -0.11 0.01 2 93 . 13 VAL HG2 H 0.46 0.01 2 94 . 13 VAL C C 177.45 0.01 1 95 . 13 VAL CA C 66.82 0.01 1 96 . 13 VAL N N 120.04 0.01 1 97 . 14 LEU H H 8.41 0.01 1 98 . 14 LEU HA H 3.79 0.01 1 99 . 14 LEU HB2 H 1.92 0.01 2 100 . 14 LEU HB3 H 1.46 0.01 2 101 . 14 LEU HG H 1.69 0.01 1 102 . 14 LEU HD1 H 0.79 0.01 1 103 . 14 LEU HD2 H 0.79 0.01 1 104 . 14 LEU C C 180.65 0.01 1 105 . 14 LEU CA C 58.48 0.01 1 106 . 14 LEU N N 120.35 0.01 1 107 . 15 ARG H H 8.05 0.01 1 108 . 15 ARG HA H 4.20 0.01 1 109 . 15 ARG HB2 H 1.96 0.01 1 110 . 15 ARG HB3 H 1.96 0.01 1 111 . 15 ARG HG2 H 1.86 0.01 1 112 . 15 ARG HG3 H 1.86 0.01 1 113 . 15 ARG C C 178.83 0.01 9 114 . 15 ARG CA C 58.72 0.01 1 115 . 15 ARG N N 118.76 0.01 9 116 . 16 ALA H H 7.80 0.01 1 117 . 16 ALA HA H 4.11 0.01 1 118 . 16 ALA HB H 1.53 0.01 1 119 . 16 ALA C C 179.44 0.01 1 120 . 16 ALA CA C 55.10 0.01 1 121 . 16 ALA N N 123.56 0.01 1 122 . 17 VAL H H 8.29 0.01 1 123 . 17 VAL HA H 3.52 0.01 1 124 . 17 VAL HB H 2.31 0.01 1 125 . 17 VAL HG1 H 0.93 0.01 1 126 . 17 VAL HG2 H 0.84 0.01 1 127 . 17 VAL C C 177.86 0.01 1 128 . 17 VAL CA C 66.82 0.01 1 129 . 17 VAL N N 119.86 0.01 1 130 . 18 ASP H H 7.83 0.01 1 131 . 18 ASP HA H 4.66 0.01 1 132 . 18 ASP HB2 H 2.80 0.01 2 133 . 18 ASP HB3 H 3.01 0.01 2 134 . 18 ASP C C 179.43 0.01 1 135 . 18 ASP CA C 57.62 0.01 1 136 . 18 ASP N N 120.64 0.01 1 137 . 19 ARG H H 8.03 0.01 1 138 . 19 ARG HA H 4.14 0.01 1 139 . 19 ARG HB2 H 2.03 0.01 1 140 . 19 ARG HB3 H 2.03 0.01 1 141 . 19 ARG HG2 H 1.72 0.01 2 142 . 19 ARG HG3 H 1.89 0.01 2 143 . 19 ARG HD2 H 3.24 0.01 1 144 . 19 ARG HD3 H 3.24 0.01 1 145 . 19 ARG C C 178.92 0.01 1 146 . 19 ARG CA C 58.90 0.01 1 147 . 19 ARG N N 120.76 0.01 1 148 . 20 LEU H H 8.51 0.01 1 149 . 20 LEU HA H 4.00 0.01 1 150 . 20 LEU HB2 H 1.90 0.01 2 151 . 20 LEU HB3 H 1.77 0.01 2 152 . 20 LEU HD1 H 0.81 0.01 1 153 . 20 LEU HD2 H 0.81 0.01 1 154 . 20 LEU C C 180.43 0.01 1 155 . 20 LEU CA C 58.10 0.01 1 156 . 20 LEU N N 121.63 0.01 1 157 . 21 ASN H H 8.22 0.01 1 158 . 21 ASN HA H 4.58 0.01 1 159 . 21 ASN HB2 H 2.73 0.01 2 160 . 21 ASN HB3 H 3.18 0.01 2 161 . 21 ASN HD21 H 8.56 0.01 2 162 . 21 ASN HD22 H 8.29 0.01 2 163 . 21 ASN C C 177.33 0.01 1 164 . 21 ASN CA C 55.98 0.01 1 165 . 21 ASN N N 116.37 0.01 1 166 . 22 GLU H H 8.16 0.01 1 167 . 22 GLU HA H 4.13 0.01 1 168 . 22 GLU HB2 H 2.20 0.01 2 169 . 22 GLU HB3 H 2.31 0.01 2 170 . 22 GLU HG2 H 2.47 0.01 1 171 . 22 GLU HG3 H 2.47 0.01 1 172 . 22 GLU C C 178.13 0.01 1 173 . 22 GLU CA C 58.78 0.01 1 174 . 22 GLU N N 120.52 0.01 1 175 . 23 GLN H H 7.55 0.01 1 176 . 23 GLN HA H 4.42 0.01 1 177 . 23 GLN HB2 H 2.02 0.01 2 178 . 23 GLN HB3 H 2.27 0.01 2 179 . 23 GLN HG2 H 2.46 0.01 2 180 . 23 GLN HG3 H 2.55 0.01 2 181 . 23 GLN HE21 H 7.49 0.01 2 182 . 23 GLN HE22 H 6.85 0.01 2 183 . 23 GLN C C 175.59 0.01 1 184 . 23 GLN CA C 55.31 0.01 1 185 . 23 GLN N N 115.39 0.01 1 186 . 24 SER H H 7.29 0.01 9 187 . 24 SER HA H 4.49 0.01 1 188 . 24 SER HB2 H 4.20 0.01 2 189 . 24 SER HB3 H 4.09 0.01 2 190 . 24 SER CA C 57.13 0.01 9 191 . 24 SER N N 115.21 0.01 9 192 . 25 SER H H 8.69 0.01 1 193 . 25 SER HA H 4.73 0.01 1 194 . 25 SER HB2 H 4.00 0.01 2 195 . 25 SER HB3 H 3.91 0.01 2 196 . 25 SER C C 175.28 0.01 1 197 . 25 SER CA C 57.25 0.01 1 198 . 25 SER N N 117.33 0.01 1 199 . 26 GLU H H 8.37 0.01 1 200 . 26 GLU HA H 4.37 0.01 1 201 . 26 GLU HB2 H 1.91 0.01 2 202 . 26 GLU HB3 H 2.36 0.01 2 203 . 26 GLU HG2 H 2.71 0.01 1 204 . 26 GLU HG3 H 2.71 0.01 1 205 . 26 GLU C C 174.20 0.01 1 206 . 26 GLU CA C 56.20 0.01 1 207 . 26 GLU N N 121.75 0.01 1 208 . 27 ALA H H 8.67 0.01 1 209 . 27 ALA HA H 4.16 0.01 1 210 . 27 ALA HB H 1.47 0.01 1 211 . 27 ALA C C 178.09 0.01 9 212 . 27 ALA CA C 54.87 0.01 1 213 . 27 ALA N N 121.12 0.01 1 214 . 28 ASN H H 8.36 0.01 9 215 . 28 ASN HA H 5.33 0.01 1 216 . 28 ASN HB2 H 2.66 0.01 2 217 . 28 ASN HB3 H 2.82 0.01 2 218 . 28 ASN HD21 H 7.99 0.01 2 219 . 28 ASN HD22 H 6.65 0.01 2 220 . 28 ASN C C 175.00 0.01 1 221 . 28 ASN CA C 52.07 0.01 1 222 . 28 ASN N N 114.97 0.01 1 223 . 29 LEU H H 8.31 0.01 1 224 . 29 LEU HA H 3.93 0.01 1 225 . 29 LEU HB2 H 1.55 0.01 2 226 . 29 LEU HB3 H 1.32 0.01 2 227 . 29 LEU HD1 H 0.93 0.01 2 228 . 29 LEU HD2 H 0.91 0.01 2 229 . 29 LEU C C 177.89 0.01 9 230 . 29 LEU CA C 54.88 0.01 1 231 . 29 LEU N N 118.60 0.01 1 232 . 30 TYR H H 9.49 0.01 9 233 . 30 TYR HA H 4.90 0.01 1 234 . 30 TYR HB2 H 2.99 0.01 9 235 . 30 TYR HB3 H 2.53 0.01 9 236 . 30 TYR HD1 H 7.01 0.01 1 237 . 30 TYR HD2 H 7.01 0.01 1 238 . 30 TYR HE1 H 6.64 0.01 1 239 . 30 TYR HE2 H 6.64 0.01 1 240 . 30 TYR C C 174.22 0.01 9 241 . 30 TYR CA C 58.41 0.01 9 242 . 30 TYR N N 126.51 0.01 9 243 . 31 ARG H H 8.54 0.01 9 244 . 31 ARG HA H 4.83 0.01 1 245 . 31 ARG HB2 H 1.48 0.01 2 246 . 31 ARG HB3 H 1.43 0.01 2 247 . 31 ARG HG2 H 1.49 0.01 1 248 . 31 ARG HG3 H 1.49 0.01 1 249 . 31 ARG C C 175.10 0.01 1 250 . 31 ARG CA C 53.13 0.01 9 251 . 31 ARG N N 119.48 0.01 9 252 . 32 LEU H H 8.86 0.01 1 253 . 32 LEU HA H 4.24 0.01 1 254 . 32 LEU HB2 H 1.90 0.01 2 255 . 32 LEU HB3 H 1.27 0.01 2 256 . 32 LEU HD1 H 0.81 0.01 2 257 . 32 LEU HD2 H 0.76 0.01 2 258 . 32 LEU C C 174.05 0.01 1 259 . 32 LEU CA C 57.14 0.01 1 260 . 32 LEU N N 124.91 0.01 1 261 . 33 LEU H H 9.43 0.01 1 262 . 33 LEU HA H 4.84 0.01 1 263 . 33 LEU HB2 H 1.96 0.01 2 264 . 33 LEU HB3 H 1.05 0.01 2 265 . 33 LEU HG H 1.36 0.01 1 266 . 33 LEU HD1 H 0.74 0.01 2 267 . 33 LEU HD2 H 0.38 0.01 2 268 . 33 LEU C C 175.62 0.01 1 269 . 33 LEU CA C 55.80 0.01 1 270 . 33 LEU N N 131.26 0.01 1 271 . 34 GLU H H 7.69 0.01 1 272 . 34 GLU HA H 4.66 0.01 1 273 . 34 GLU HB2 H 2.01 0.01 2 274 . 34 GLU HB3 H 1.90 0.01 2 275 . 34 GLU HG2 H 2.17 0.01 1 276 . 34 GLU HG3 H 2.17 0.01 1 277 . 34 GLU C C 173.59 0.01 1 278 . 34 GLU CA C 55.25 0.01 1 279 . 34 GLU N N 117.36 0.01 1 280 . 35 LEU H H 8.68 0.01 1 281 . 35 LEU HA H 4.87 0.01 1 282 . 35 LEU HB2 H 1.93 0.01 2 283 . 35 LEU HB3 H 1.53 0.01 2 284 . 35 LEU HG H 1.76 0.01 1 285 . 35 LEU HD1 H 1.09 0.01 2 286 . 35 LEU HD2 H 0.90 0.01 2 287 . 35 LEU C C 175.09 0.01 1 288 . 35 LEU CA C 54.04 0.01 1 289 . 35 LEU N N 125.05 0.01 1 290 . 36 ASP H H 8.58 0.01 1 291 . 36 ASP HA H 4.82 0.01 1 292 . 36 ASP HB2 H 2.76 0.01 2 293 . 36 ASP HB3 H 2.79 0.01 2 294 . 36 ASP C C 175.79 0.01 9 295 . 36 ASP CA C 53.90 0.01 1 296 . 36 ASP N N 126.84 0.01 1 297 . 37 GLN H H 8.62 0.01 9 298 . 37 GLN HA H 4.58 0.01 1 299 . 37 GLN HB2 H 2.00 0.01 1 300 . 37 GLN HB3 H 2.00 0.01 1 301 . 37 GLN HG2 H 2.30 0.01 2 302 . 37 GLN HG3 H 2.36 0.01 2 303 . 37 GLN HE21 H 7.62 0.01 9 304 . 37 GLN HE22 H 6.84 0.01 9 305 . 37 GLN CA C 55.60 0.01 1 306 . 37 GLN N N 122.84 0.01 9 307 . 38 PRO HA H 4.74 0.01 1 308 . 38 PRO HB2 H 1.81 0.01 2 309 . 38 PRO HB3 H 2.16 0.01 2 310 . 38 PRO HG2 H 1.62 0.01 1 311 . 38 PRO HG3 H 1.62 0.01 1 312 . 38 PRO HD2 H 3.83 0.01 2 313 . 38 PRO HD3 H 3.22 0.01 2 314 . 38 PRO CA C 61.27 0.01 1 315 . 39 PRO HA H 4.37 0.01 1 316 . 39 PRO HB2 H 1.83 0.01 2 317 . 39 PRO HB3 H 2.31 0.01 2 318 . 39 PRO HG2 H 2.01 0.01 1 319 . 39 PRO HG3 H 2.01 0.01 1 320 . 39 PRO HD2 H 3.76 0.01 2 321 . 39 PRO HD3 H 3.53 0.01 2 322 . 39 PRO C C 176.60 0.01 1 323 . 39 PRO CA C 62.80 0.01 9 324 . 40 LYS H H 8.39 0.01 9 325 . 40 LYS HA H 4.09 0.01 1 326 . 40 LYS HB2 H 1.82 0.01 1 327 . 40 LYS HB3 H 1.82 0.01 1 328 . 40 LYS HG2 H 1.39 0.01 1 329 . 40 LYS HG3 H 1.39 0.01 1 330 . 40 LYS C C 180.40 0.01 1 331 . 40 LYS CA C 56.43 0.01 9 332 . 40 LYS N N 118.22 0.01 9 333 . 41 ALA H H 7.90 0.01 1 334 . 41 ALA HA H 3.97 0.01 1 335 . 41 ALA C C 176.53 0.01 9 336 . 41 ALA CA C 53.45 0.01 9 337 . 41 ALA N N 123.68 0.01 1 338 . 42 ASP H H 8.12 0.01 9 339 . 42 ASP HA H 4.69 0.01 1 340 . 42 ASP HB2 H 2.56 0.01 2 341 . 42 ASP HB3 H 2.78 0.01 2 342 . 42 ASP C C 176.27 0.01 9 343 . 42 ASP CA C 53.80 0.01 1 344 . 42 ASP N N 115.45 0.01 9 345 . 43 GLU H H 7.88 0.01 9 346 . 43 GLU HA H 4.30 0.01 1 347 . 43 GLU HB2 H 1.90 0.01 2 348 . 43 GLU HB3 H 2.14 0.01 2 349 . 43 GLU HG2 H 2.21 0.01 1 350 . 43 GLU HG3 H 2.21 0.01 1 351 . 43 GLU C C 175.77 0.01 9 352 . 43 GLU CA C 55.67 0.01 1 353 . 43 GLU N N 119.27 0.01 9 354 . 44 ASP H H 8.53 0.01 9 355 . 44 ASP HA H 4.65 0.01 1 356 . 44 ASP HB2 H 2.61 0.01 2 357 . 44 ASP HB3 H 2.90 0.01 2 358 . 44 ASP CA C 52.86 0.01 9 359 . 44 ASP N N 118.84 0.01 9 360 . 45 PRO HA H 4.30 0.01 1 361 . 45 PRO HB2 H 1.94 0.01 2 362 . 45 PRO HB3 H 2.23 0.01 2 363 . 45 PRO HG2 H 2.40 0.01 1 364 . 45 PRO HG3 H 2.40 0.01 1 365 . 45 PRO HD2 H 3.83 0.01 1 366 . 45 PRO HD3 H 3.83 0.01 1 367 . 45 PRO C C 177.00 0.01 1 368 . 45 PRO CA C 64.36 0.01 1 369 . 46 GLY H H 8.64 0.01 1 370 . 46 GLY HA2 H 4.23 0.01 2 371 . 46 GLY HA3 H 3.78 0.01 2 372 . 46 GLY C C 174.67 0.01 1 373 . 46 GLY CA C 45.20 0.01 1 374 . 46 GLY N N 106.20 0.01 1 375 . 47 THR H H 7.55 0.01 1 376 . 47 THR HA H 4.69 0.01 1 377 . 47 THR HB H 4.17 0.01 1 378 . 47 THR HG2 H 1.30 0.01 1 379 . 47 THR CA C 59.17 0.01 1 380 . 47 THR N N 115.38 0.01 1 381 . 48 PRO HA H 4.60 0.01 1 382 . 48 PRO HB2 H 1.78 0.01 2 383 . 48 PRO HB3 H 2.17 0.01 2 384 . 48 PRO HG2 H 1.97 0.01 2 385 . 48 PRO HG3 H 2.08 0.01 2 386 . 48 PRO HD2 H 4.04 0.01 2 387 . 48 PRO HD3 H 3.72 0.01 2 388 . 48 PRO C C 176.45 0.01 9 389 . 48 PRO CA C 63.16 0.01 1 390 . 49 LYS H H 9.22 0.01 9 391 . 49 LYS HA H 5.05 0.01 9 392 . 49 LYS HB2 H 2.30 0.01 1 393 . 49 LYS HB3 H 2.30 0.01 1 394 . 49 LYS HG2 H 1.67 0.01 1 395 . 49 LYS HG3 H 1.67 0.01 1 396 . 49 LYS HD2 H 1.85 0.01 1 397 . 49 LYS HD3 H 1.85 0.01 1 398 . 49 LYS CA C 52.10 0.01 9 399 . 49 LYS N N 122.61 0.01 9 400 . 50 PRO HA H 4.97 0.01 1 401 . 50 PRO HB2 H 2.25 0.01 2 402 . 50 PRO HB3 H 2.41 0.01 2 403 . 50 PRO HG2 H 2.14 0.01 2 404 . 50 PRO HG3 H 2.19 0.01 2 405 . 50 PRO HD2 H 3.94 0.01 2 406 . 50 PRO HD3 H 3.79 0.01 2 407 . 50 PRO C C 176.47 0.01 1 408 . 50 PRO CA C 62.42 0.01 1 409 . 51 VAL H H 8.66 0.01 1 410 . 51 VAL HA H 4.73 0.01 1 411 . 51 VAL HG1 H 0.83 0.01 1 412 . 51 VAL HG2 H 0.80 0.01 1 413 . 51 VAL C C 174.12 0.01 1 414 . 51 VAL CA C 59.40 0.01 1 415 . 51 VAL N N 116.41 0.01 1 416 . 52 SER H H 8.65 0.01 1 417 . 52 SER HA H 5.27 0.01 1 418 . 52 SER HB2 H 3.83 0.01 1 419 . 52 SER HB3 H 3.83 0.01 1 420 . 52 SER C C 172.88 0.01 1 421 . 52 SER CA C 57.05 0.01 1 422 . 52 SER N N 118.39 0.01 1 423 . 53 PHE H H 8.66 0.01 1 424 . 53 PHE HA H 5.45 0.01 1 425 . 53 PHE HB2 H 3.32 0.01 1 426 . 53 PHE HB3 H 3.32 0.01 1 427 . 53 PHE HD1 H 6.71 0.01 1 428 . 53 PHE HD2 H 6.71 0.01 1 429 . 53 PHE HE1 H 6.82 0.01 1 430 . 53 PHE HE2 H 6.82 0.01 1 431 . 53 PHE HZ H 6.75 0.01 1 432 . 53 PHE C C 172.86 0.01 1 433 . 53 PHE CA C 55.62 0.01 1 434 . 53 PHE N N 120.77 0.01 1 435 . 54 THR H H 9.20 0.01 1 436 . 54 THR HA H 5.62 0.01 1 437 . 54 THR HB H 4.14 0.01 1 438 . 54 THR HG2 H 1.19 0.01 1 439 . 54 THR C C 175.97 0.01 1 440 . 54 THR CA C 58.30 0.01 1 441 . 54 THR N N 110.70 0.01 1 442 . 55 VAL H H 9.01 0.01 1 443 . 55 VAL HA H 5.36 0.01 1 444 . 55 VAL HB H 2.18 0.01 1 445 . 55 VAL HG1 H 1.09 0.01 2 446 . 55 VAL HG2 H 0.80 0.01 2 447 . 55 VAL C C 173.63 0.01 1 448 . 55 VAL CA C 58.12 0.01 1 449 . 55 VAL N N 113.27 0.01 1 450 . 56 LYS H H 9.31 0.01 1 451 . 56 LYS HA H 5.74 0.01 1 452 . 56 LYS HB2 H 1.83 0.01 2 453 . 56 LYS HB3 H 1.60 0.01 2 454 . 56 LYS HG2 H 1.38 0.01 1 455 . 56 LYS HG3 H 1.38 0.01 1 456 . 56 LYS HD2 H 1.24 0.01 2 457 . 56 LYS HD3 H 1.03 0.01 2 458 . 56 LYS HE2 H 2.81 0.01 2 459 . 56 LYS HE3 H 3.05 0.01 2 460 . 56 LYS C C 173.98 0.01 1 461 . 56 LYS CA C 54.12 0.01 1 462 . 56 LYS N N 120.87 0.01 1 463 . 57 GLU H H 8.50 0.01 1 464 . 57 GLU HA H 2.79 0.01 1 465 . 57 GLU HB2 H 1.82 0.01 1 466 . 57 GLU HB3 H 1.82 0.01 1 467 . 57 GLU HG2 H 1.92 0.01 2 468 . 57 GLU HG3 H 2.11 0.01 2 469 . 57 GLU C C 175.50 0.01 1 470 . 57 GLU CA C 57.56 0.01 1 471 . 57 GLU N N 129.29 0.01 1 472 . 58 THR H H 7.97 0.01 1 473 . 58 THR HA H 5.21 0.01 1 474 . 58 THR HB H 4.14 0.01 1 475 . 58 THR HG2 H 0.95 0.01 1 476 . 58 THR C C 174.26 0.01 1 477 . 58 THR CA C 60.42 0.01 1 478 . 58 THR N N 114.21 0.01 1 479 . 59 VAL H H 7.93 0.01 1 480 . 59 VAL HA H 4.11 0.01 1 481 . 59 VAL HB H 2.51 0.01 1 482 . 59 VAL HG1 H 0.99 0.01 2 483 . 59 VAL HG2 H 0.88 0.01 2 484 . 59 VAL C C 177.53 0.01 1 485 . 59 VAL CA C 61.08 0.01 1 486 . 59 VAL N N 105.27 0.01 1 487 . 60 CYS H H 8.26 0.01 1 488 . 60 CYS HA H 4.55 0.01 1 489 . 60 CYS HB2 H 2.85 0.01 1 490 . 60 CYS HB3 H 3.45 0.01 1 491 . 60 CYS CA C 52.43 0.01 1 492 . 60 CYS N N 121.53 0.01 1 493 . 61 PRO HA H 4.94 0.01 1 494 . 61 PRO HB2 H 1.94 0.01 2 495 . 61 PRO HB3 H 2.51 0.01 2 496 . 61 PRO HG2 H 2.03 0.01 2 497 . 61 PRO HG3 H 2.13 0.01 2 498 . 61 PRO HD2 H 4.25 0.01 2 499 . 61 PRO HD3 H 3.58 0.01 2 500 . 61 PRO C C 177.25 0.01 9 501 . 61 PRO CA C 62.03 0.01 1 502 . 62 ARG H H 9.23 0.01 9 503 . 62 ARG HA H 3.96 0.01 1 504 . 62 ARG HB2 H 1.55 0.01 1 505 . 62 ARG HB3 H 1.55 0.01 1 506 . 62 ARG HG2 H 1.33 0.01 1 507 . 62 ARG HG3 H 1.33 0.01 1 508 . 62 ARG HD2 H 3.20 0.01 2 509 . 62 ARG HD3 H 3.28 0.01 2 510 . 62 ARG CA C 60.90 0.01 9 511 . 62 ARG N N 126.00 0.01 9 512 . 63 PRO HA H 4.54 0.01 1 513 . 63 PRO HB2 H 1.90 0.01 2 514 . 63 PRO HB3 H 2.34 0.01 2 515 . 63 PRO HG2 H 2.03 0.01 1 516 . 63 PRO HG3 H 2.03 0.01 1 517 . 63 PRO HD2 H 3.83 0.01 2 518 . 63 PRO HD3 H 3.44 0.01 2 519 . 63 PRO C C 176.92 0.01 1 520 . 63 PRO CA C 64.18 0.01 9 521 . 64 THR H H 7.55 0.01 1 522 . 64 THR HA H 4.10 0.01 1 523 . 64 THR HB H 4.28 0.01 1 524 . 64 THR HG2 H 1.32 0.01 1 525 . 64 THR C C 174.88 0.01 9 526 . 64 THR CA C 63.46 0.01 1 527 . 64 THR N N 110.33 0.01 9 528 . 65 ARG H H 8.17 0.01 9 529 . 65 ARG HA H 4.15 0.01 9 530 . 65 ARG HB2 H 2.04 0.01 1 531 . 65 ARG HB3 H 2.04 0.01 1 532 . 65 ARG HG2 H 1.65 0.01 2 533 . 65 ARG HG3 H 1.80 0.01 2 534 . 65 ARG HD2 H 3.21 0.01 1 535 . 65 ARG HD3 H 3.21 0.01 1 536 . 65 ARG C C 175.60 0.01 9 537 . 65 ARG CA C 56.05 0.01 9 538 . 65 ARG N N 118.89 0.01 9 539 . 66 GLN H H 7.38 0.01 9 540 . 66 GLN HA H 4.49 0.01 1 541 . 66 GLN HB2 H 1.88 0.01 1 542 . 66 GLN HB3 H 1.88 0.01 1 543 . 66 GLN HG2 H 2.04 0.01 2 544 . 66 GLN HG3 H 2.26 0.01 2 545 . 66 GLN CA C 54.02 0.01 9 546 . 66 GLN N N 120.02 0.01 9 547 . 67 PRO HA H 4.65 0.01 1 548 . 67 PRO HB2 H 1.82 0.01 2 549 . 67 PRO HB3 H 2.37 0.01 2 550 . 67 PRO HG2 H 2.00 0.01 2 551 . 67 PRO HG3 H 2.10 0.01 2 552 . 67 PRO HD2 H 3.89 0.01 2 553 . 67 PRO HD3 H 3.54 0.01 2 554 . 67 PRO CA C 60.73 0.01 1 555 . 68 PRO HA H 3.79 0.01 1 556 . 68 PRO HB2 H 2.00 0.01 2 557 . 68 PRO HB3 H 2.22 0.01 2 558 . 68 PRO HG2 H 2.00 0.01 1 559 . 68 PRO HG3 H 2.00 0.01 1 560 . 68 PRO HD2 H 4.00 0.01 2 561 . 68 PRO HD3 H 3.88 0.01 2 562 . 68 PRO C C 177.80 0.01 1 563 . 68 PRO CA C 65.36 0.01 1 564 . 69 GLU H H 8.33 0.01 1 565 . 69 GLU HA H 3.81 0.01 1 566 . 69 GLU HB2 H 1.90 0.01 2 567 . 69 GLU HB3 H 2.01 0.01 2 568 . 69 GLU HG2 H 2.21 0.01 1 569 . 69 GLU HG3 H 2.21 0.01 1 570 . 69 GLU C C 176.61 0.01 1 571 . 69 GLU CA C 57.86 0.01 1 572 . 69 GLU N N 111.70 0.01 1 573 . 70 LEU H H 7.75 0.01 1 574 . 70 LEU HA H 4.34 0.01 1 575 . 70 LEU HB2 H 1.70 0.01 1 576 . 70 LEU HB3 H 1.70 0.01 1 577 . 70 LEU HG H 1.53 0.01 1 578 . 70 LEU HD1 H 0.80 0.01 2 579 . 70 LEU HD2 H 0.78 0.01 2 580 . 70 LEU C C 176.83 0.01 1 581 . 70 LEU CA C 53.97 0.01 1 582 . 70 LEU N N 117.11 0.01 1 583 . 71 CYS H H 7.74 0.01 1 584 . 71 CYS HA H 4.52 0.01 1 585 . 71 CYS HB2 H 3.57 0.01 1 586 . 71 CYS HB3 H 2.55 0.01 1 587 . 71 CYS C C 172.79 0.01 1 588 . 71 CYS CA C 56.00 0.01 1 589 . 71 CYS N N 121.08 0.01 1 590 . 72 ASP H H 8.47 0.01 1 591 . 72 ASP HA H 4.16 0.01 1 592 . 72 ASP HB2 H 2.41 0.01 2 593 . 72 ASP HB3 H 2.61 0.01 2 594 . 72 ASP C C 176.19 0.01 1 595 . 72 ASP CA C 54.10 0.01 1 596 . 72 ASP N N 123.48 0.01 1 597 . 73 PHE H H 8.15 0.01 1 598 . 73 PHE HA H 4.33 0.01 1 599 . 73 PHE HB2 H 2.75 0.01 2 600 . 73 PHE HB3 H 2.80 0.01 2 601 . 73 PHE HD1 H 7.16 0.01 1 602 . 73 PHE HD2 H 7.16 0.01 1 603 . 73 PHE HE1 H 7.31 0.01 1 604 . 73 PHE HE2 H 7.31 0.01 1 605 . 73 PHE HZ H 7.51 0.01 1 606 . 73 PHE C C 176.45 0.01 9 607 . 73 PHE CA C 59.48 0.01 1 608 . 73 PHE N N 117.57 0.01 1 609 . 74 LYS H H 9.06 0.01 1 610 . 74 LYS HA H 4.04 0.01 1 611 . 74 LYS HB2 H 1.35 0.01 2 612 . 74 LYS HB3 H 1.15 0.01 2 613 . 74 LYS HG2 H 1.27 0.01 2 614 . 74 LYS HG3 H 1.23 0.01 2 615 . 74 LYS HD2 H 1.42 0.01 2 616 . 74 LYS HD3 H 1.34 0.01 2 617 . 74 LYS HE2 H 2.87 0.01 1 618 . 74 LYS HE3 H 2.87 0.01 1 619 . 74 LYS C C 177.48 0.01 1 620 . 74 LYS CA C 55.63 0.01 1 621 . 74 LYS N N 124.56 0.01 1 622 . 75 GLU H H 8.99 0.01 1 623 . 75 GLU HA H 4.01 0.01 1 624 . 75 GLU HB2 H 1.90 0.01 2 625 . 75 GLU HB3 H 2.00 0.01 2 626 . 75 GLU HG2 H 2.25 0.01 1 627 . 75 GLU HG3 H 2.25 0.01 1 628 . 75 GLU C C 177.60 0.01 1 629 . 75 GLU CA C 58.40 0.01 1 630 . 75 GLU N N 130.39 0.01 1 631 . 76 ASN H H 8.93 0.01 1 632 . 76 ASN HA H 4.62 0.01 1 633 . 76 ASN HB2 H 2.96 0.01 2 634 . 76 ASN HB3 H 2.89 0.01 2 635 . 76 ASN HD21 H 7.61 0.01 2 636 . 76 ASN HD22 H 6.92 0.01 2 637 . 76 ASN C C 175.72 0.01 1 638 . 76 ASN CA C 53.50 0.01 1 639 . 76 ASN N N 119.40 0.01 1 640 . 77 GLY H H 7.88 0.01 1 641 . 77 GLY HA2 H 3.94 0.01 2 642 . 77 GLY HA3 H 3.45 0.01 2 643 . 77 GLY C C 172.33 0.01 1 644 . 77 GLY CA C 45.50 0.01 1 645 . 77 GLY N N 104.68 0.01 1 646 . 78 ARG H H 8.96 0.01 1 647 . 78 ARG HA H 4.24 0.01 1 648 . 78 ARG HB2 H 1.90 0.01 2 649 . 78 ARG HB3 H 2.40 0.01 2 650 . 78 ARG HG2 H 1.81 0.01 1 651 . 78 ARG HG3 H 1.81 0.01 1 652 . 78 ARG HD2 H 3.30 0.01 1 653 . 78 ARG HD3 H 3.30 0.01 1 654 . 78 ARG C C 175.30 0.01 1 655 . 78 ARG CA C 57.35 0.01 1 656 . 78 ARG N N 123.54 0.01 1 657 . 79 VAL H H 8.67 0.01 1 658 . 79 VAL HA H 5.19 0.01 1 659 . 79 VAL HB H 1.89 0.01 1 660 . 79 VAL HG1 H 0.97 0.01 2 661 . 79 VAL HG2 H 0.93 0.01 2 662 . 79 VAL C C 176.17 0.01 9 663 . 79 VAL CA C 60.63 0.01 1 664 . 79 VAL N N 120.61 0.01 1 665 . 80 LYS H H 8.84 0.01 1 666 . 80 LYS HA H 5.12 0.01 1 667 . 80 LYS HB2 H 1.37 0.01 2 668 . 80 LYS HB3 H 1.27 0.01 2 669 . 80 LYS HG2 H 1.03 0.01 1 670 . 80 LYS HG3 H 1.03 0.01 1 671 . 80 LYS HD2 H 1.09 0.01 1 672 . 80 LYS HD3 H 1.09 0.01 1 673 . 80 LYS C C 174.05 0.01 1 674 . 80 LYS CA C 53.75 0.01 1 675 . 80 LYS N N 120.81 0.01 1 676 . 81 GLN H H 8.81 0.01 1 677 . 81 GLN HA H 4.74 0.01 1 678 . 81 GLN HB2 H 2.06 0.01 2 679 . 81 GLN HB3 H 1.88 0.01 2 680 . 81 GLN HG2 H 2.18 0.01 1 681 . 81 GLN HG3 H 2.18 0.01 1 682 . 81 GLN HE21 H 7.02 0.01 2 683 . 81 GLN HE22 H 6.80 0.01 2 684 . 81 GLN C C 175.28 0.01 1 685 . 81 GLN CA C 54.28 0.01 1 686 . 81 GLN N N 121.14 0.01 1 687 . 82 CYS H H 9.44 0.01 1 688 . 82 CYS HA H 5.44 0.01 1 689 . 82 CYS HB2 H 1.84 0.01 1 690 . 82 CYS HB3 H 1.02 0.01 1 691 . 82 CYS C C 172.76 0.01 1 692 . 82 CYS CA C 54.50 0.01 1 693 . 82 CYS N N 127.31 0.01 1 694 . 83 VAL H H 8.53 0.01 1 695 . 83 VAL HA H 5.07 0.01 1 696 . 83 VAL HB H 2.13 0.01 1 697 . 83 VAL HG1 H 0.98 0.01 2 698 . 83 VAL HG2 H 0.92 0.01 2 699 . 83 VAL C C 175.11 0.01 1 700 . 83 VAL CA C 59.31 0.01 1 701 . 83 VAL N N 117.02 0.01 1 702 . 84 GLY H H 7.97 0.01 1 703 . 84 GLY HA2 H 5.27 0.01 2 704 . 84 GLY HA3 H 3.97 0.01 2 705 . 84 GLY C C 173.43 0.01 1 706 . 84 GLY CA C 45.21 0.01 1 707 . 84 GLY N N 110.94 0.01 1 708 . 85 THR H H 9.04 0.01 1 709 . 85 THR HA H 5.53 0.01 1 710 . 85 THR HB H 3.91 0.01 1 711 . 85 THR HG2 H 1.12 0.01 1 712 . 85 THR C C 173.06 0.01 1 713 . 85 THR CA C 60.23 0.01 1 714 . 85 THR N N 117.62 0.01 1 715 . 86 VAL H H 8.79 0.01 1 716 . 86 VAL HA H 4.77 0.01 1 717 . 86 VAL HB H 2.04 0.01 1 718 . 86 VAL HG1 H 0.77 0.01 2 719 . 86 VAL HG2 H 0.70 0.01 2 720 . 86 VAL CA C 59.35 0.01 1 721 . 86 VAL N N 111.70 0.01 1 722 . 87 THR H H 7.93 0.01 1 723 . 87 THR HA H 4.73 0.01 1 724 . 87 THR HB H 4.44 0.01 1 725 . 87 THR HG2 H 1.15 0.01 1 726 . 87 THR C C 176.77 0.01 1 727 . 87 THR CA C 59.79 0.01 1 728 . 87 THR N N 113.15 0.01 1 729 . 88 LEU H H 8.73 0.01 1 730 . 88 LEU HA H 4.21 0.01 1 731 . 88 LEU HB2 H 2.13 0.01 2 732 . 88 LEU HB3 H 1.68 0.01 2 733 . 88 LEU HG H 1.68 0.01 1 734 . 88 LEU HD1 H 0.65 0.01 1 735 . 88 LEU HD2 H 0.65 0.01 1 736 . 88 LEU C C 177.08 0.01 1 737 . 88 LEU CA C 55.80 0.01 1 738 . 88 LEU N N 119.28 0.01 1 739 . 89 ASP H H 8.38 0.01 1 740 . 89 ASP HA H 4.54 0.01 1 741 . 89 ASP HB2 H 2.46 0.01 2 742 . 89 ASP HB3 H 2.78 0.01 2 743 . 89 ASP C C 176.65 0.01 1 744 . 89 ASP CA C 54.00 0.01 1 745 . 89 ASP N N 116.20 0.01 1 746 . 90 GLN H H 7.73 0.01 1 747 . 90 GLN HA H 4.37 0.01 1 748 . 90 GLN HB2 H 1.88 0.01 2 749 . 90 GLN HB3 H 2.05 0.01 2 750 . 90 GLN HG2 H 2.36 0.01 1 751 . 90 GLN HG3 H 2.36 0.01 1 752 . 90 GLN C C 174.22 0.01 1 753 . 90 GLN CA C 54.70 0.01 1 754 . 90 GLN N N 116.43 0.01 1 755 . 91 ILE H H 8.49 0.01 1 756 . 91 ILE HA H 4.10 0.01 1 757 . 91 ILE HB H 1.78 0.01 1 758 . 91 ILE HG12 H 1.22 0.01 2 759 . 91 ILE HG13 H 1.46 0.01 2 760 . 91 ILE HG2 H 0.82 0.01 1 761 . 91 ILE HD1 H 0.83 0.01 1 762 . 91 ILE C C 175.40 0.01 1 763 . 91 ILE CA C 60.63 0.01 1 764 . 91 ILE N N 123.02 0.01 1 765 . 92 LYS H H 8.29 0.01 1 766 . 92 LYS HA H 4.35 0.01 1 767 . 92 LYS HB2 H 1.78 0.01 1 768 . 92 LYS HB3 H 1.78 0.01 1 769 . 92 LYS HG2 H 1.38 0.01 1 770 . 92 LYS HG3 H 1.38 0.01 1 771 . 92 LYS HD2 H 1.67 0.01 1 772 . 92 LYS HD3 H 1.67 0.01 1 773 . 92 LYS HE2 H 2.98 0.01 1 774 . 92 LYS HE3 H 2.98 0.01 1 775 . 92 LYS C C 174.34 0.01 1 776 . 92 LYS CA C 55.28 0.01 1 777 . 92 LYS N N 127.90 0.01 1 778 . 93 ASP H H 8.13 0.01 1 779 . 93 ASP HA H 4.76 0.01 1 780 . 93 ASP HB2 H 2.40 0.01 2 781 . 93 ASP HB3 H 2.63 0.01 2 782 . 93 ASP CA C 51.43 0.01 1 783 . 93 ASP N N 121.28 0.01 1 784 . 94 PRO HA H 4.85 0.01 1 785 . 94 PRO HB2 H 2.08 0.01 2 786 . 94 PRO HB3 H 2.38 0.01 2 787 . 94 PRO HG2 H 1.89 0.01 1 788 . 94 PRO HG3 H 1.89 0.01 1 789 . 94 PRO HD2 H 3.55 0.01 2 790 . 94 PRO HD3 H 3.49 0.01 2 791 . 94 PRO C C 176.84 0.01 1 792 . 94 PRO CA C 63.28 0.01 1 793 . 95 LEU H H 8.62 0.01 1 794 . 95 LEU HA H 4.24 0.01 1 795 . 95 LEU HB2 H 1.70 0.01 1 796 . 95 LEU HB3 H 1.70 0.01 1 797 . 95 LEU HG H 1.74 0.01 1 798 . 95 LEU HD1 H 0.94 0.01 2 799 . 95 LEU HD2 H 1.00 0.01 2 800 . 95 LEU C C 177.67 0.01 1 801 . 95 LEU CA C 55.20 0.01 1 802 . 95 LEU N N 121.41 0.01 1 803 . 96 ASP H H 9.06 0.01 1 804 . 96 ASP HA H 4.90 0.01 1 805 . 96 ASP HB2 H 2.46 0.01 2 806 . 96 ASP HB3 H 2.91 0.01 2 807 . 96 ASP C C 175.27 0.01 1 808 . 96 ASP CA C 52.95 0.01 1 809 . 96 ASP N N 127.21 0.01 1 810 . 97 ILE H H 7.10 0.01 1 811 . 97 ILE HA H 4.77 0.01 1 812 . 97 ILE HB H 1.49 0.01 1 813 . 97 ILE HG12 H 0.98 0.01 1 814 . 97 ILE HG13 H 0.98 0.01 1 815 . 97 ILE HG2 H 0.81 0.01 1 816 . 97 ILE HD1 H 0.70 0.01 1 817 . 97 ILE C C 174.92 0.01 1 818 . 97 ILE CA C 59.33 0.01 1 819 . 97 ILE N N 116.62 0.01 1 820 . 98 THR H H 8.52 0.01 1 821 . 98 THR HA H 4.54 0.01 1 822 . 98 THR HB H 4.00 0.01 1 823 . 98 THR HG2 H 1.19 0.01 1 824 . 98 THR C C 173.76 0.01 1 825 . 98 THR CA C 60.70 0.01 1 826 . 98 THR N N 120.21 0.01 1 827 . 99 CYS H H 8.86 0.01 1 828 . 99 CYS HA H 5.69 0.01 1 829 . 99 CYS HB2 H 2.94 0.01 1 830 . 99 CYS HB3 H 2.32 0.01 1 831 . 99 CYS C C 173.15 0.01 1 832 . 99 CYS CA C 54.60 0.01 1 833 . 99 CYS N N 122.29 0.01 1 834 . 100 ASN H H 8.82 0.01 1 835 . 100 ASN HA H 5.01 0.01 1 836 . 100 ASN HB2 H 2.69 0.01 2 837 . 100 ASN HB3 H 2.64 0.01 2 838 . 100 ASN HD21 H 7.58 0.01 2 839 . 100 ASN HD22 H 6.87 0.01 2 840 . 100 ASN C C 174.00 0.01 1 841 . 100 ASN CA C 51.92 0.01 1 842 . 100 ASN N N 119.52 0.01 1 843 . 101 GLU H H 8.96 0.01 1 844 . 101 GLU HA H 4.48 0.01 1 845 . 101 GLU HB2 H 2.29 0.01 2 846 . 101 GLU HB3 H 2.04 0.01 2 847 . 101 GLU HG2 H 2.44 0.01 1 848 . 101 GLU HG3 H 2.44 0.01 1 849 . 101 GLU C C 176.08 0.01 1 850 . 101 GLU CA C 57.35 0.01 1 851 . 101 GLU N N 123.58 0.01 1 852 . 102 VAL H H 8.50 0.01 1 853 . 102 VAL HA H 4.27 0.01 1 854 . 102 VAL HB H 2.02 0.01 1 855 . 102 VAL HG1 H 0.91 0.01 2 856 . 102 VAL HG2 H 0.86 0.01 2 857 . 102 VAL C C 175.53 0.01 1 858 . 102 VAL CA C 61.46 0.01 1 859 . 102 VAL N N 123.65 0.01 1 860 . 103 GLN H H 8.54 0.01 1 861 . 103 GLN HA H 4.46 0.01 1 862 . 103 GLN HB2 H 2.04 0.01 1 863 . 103 GLN HB3 H 2.04 0.01 1 864 . 103 GLN HG2 H 2.15 0.01 2 865 . 103 GLN HG3 H 2.43 0.01 2 866 . 103 GLN HE21 H 7.58 0.01 2 867 . 103 GLN HE22 H 6.84 0.01 2 868 . 103 GLN C C 176.34 0.01 1 869 . 103 GLN CA C 55.59 0.01 1 870 . 103 GLN N N 123.92 0.01 1 871 . 104 GLY H H 8.50 0.01 1 872 . 104 GLY HA2 H 4.00 0.01 2 873 . 104 GLY HA3 H 3.90 0.01 2 874 . 104 GLY C C 173.21 0.01 1 875 . 104 GLY CA C 45.30 0.01 1 876 . 104 GLY N N 110.47 0.01 1 877 . 105 VAL H H 7.55 0.01 1 878 . 105 VAL HA H 4.08 0.01 1 879 . 105 VAL HG1 H 0.89 0.01 2 880 . 105 VAL HG2 H 0.84 0.01 2 881 . 105 VAL CA C 63.06 0.01 1 882 . 105 VAL N N 122.12 0.01 1 stop_ save_ save_cis88-cis119_shift_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cathelin-like domain of protegrins' _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 GLY HA2 H 3.90 0.01 1 2 . 1 GLY HA3 H 3.90 0.01 1 3 . 1 GLY CA C 43.03 0.01 1 4 . 2 SER H H 8.66 0.01 1 5 . 2 SER HA H 4.47 0.01 1 6 . 2 SER HB2 H 3.84 0.01 1 7 . 2 SER HB3 H 3.84 0.01 1 8 . 2 SER CA C 58.23 0.01 1 9 . 3 HIS H H 8.68 0.01 1 10 . 3 HIS HA H 4.45 0.01 1 11 . 3 HIS HB2 H 3.12 0.01 2 12 . 3 HIS HB3 H 3.22 0.01 2 13 . 3 HIS C C 174.48 0.01 1 14 . 3 HIS CA C 55.40 0.01 1 15 . 3 HIS N N 120.43 0.01 1 16 . 4 MET H H 8.41 0.01 1 17 . 4 MET HA H 4.47 0.01 1 18 . 4 MET HE H 2.07 0.01 1 19 . 4 MET C C 175.80 0.01 1 20 . 4 MET CA C 55.32 0.01 1 21 . 4 MET N N 121.44 0.01 1 22 . 5 GLN H H 8.41 0.01 1 23 . 5 GLN HA H 4.30 0.01 1 24 . 5 GLN HB2 H 2.19 0.01 2 25 . 5 GLN HB3 H 2.02 0.01 2 26 . 5 GLN HG2 H 2.37 0.01 1 27 . 5 GLN HG3 H 2.37 0.01 1 28 . 5 GLN C C 175.21 0.01 1 29 . 5 GLN CA C 55.68 0.01 1 30 . 5 GLN N N 121.90 0.01 1 31 . 6 ALA H H 8.32 0.01 1 32 . 6 ALA HA H 4.41 0.01 1 33 . 6 ALA HB H 1.34 0.01 1 34 . 6 ALA C C 177.67 0.01 1 35 . 6 ALA CA C 52.18 0.01 1 36 . 6 ALA N N 125.57 0.01 1 37 . 7 LEU H H 8.27 0.01 1 38 . 7 LEU HA H 4.43 0.01 1 39 . 7 LEU HB2 H 1.71 0.01 2 40 . 7 LEU HB3 H 1.66 0.01 2 41 . 7 LEU HG H 1.60 0.01 1 42 . 7 LEU HD1 H 0.81 0.01 1 43 . 7 LEU HD2 H 0.81 0.01 1 44 . 7 LEU C C 177.27 0.01 1 45 . 7 LEU CA C 54.47 0.01 1 46 . 7 LEU N N 121.22 0.01 1 47 . 8 SER H H 8.24 0.01 1 48 . 8 SER HA H 4.57 0.01 1 49 . 8 SER HB2 H 4.33 0.01 2 50 . 8 SER HB3 H 4.00 0.01 2 51 . 8 SER C C 174.93 0.01 1 52 . 8 SER CA C 57.28 0.01 1 53 . 8 SER N N 114.55 0.01 1 54 . 9 TYR H H 9.14 0.01 1 55 . 9 TYR HA H 3.97 0.01 1 56 . 9 TYR HB2 H 2.90 0.01 2 57 . 9 TYR HB3 H 3.05 0.01 2 58 . 9 TYR HD1 H 6.94 0.01 1 59 . 9 TYR HD2 H 6.94 0.01 1 60 . 9 TYR HE1 H 6.66 0.01 1 61 . 9 TYR HE2 H 6.66 0.01 1 62 . 9 TYR C C 176.67 0.01 1 63 . 9 TYR CA C 62.42 0.01 1 64 . 9 TYR N N 122.65 0.01 1 65 . 10 ARG H H 8.70 0.01 1 66 . 10 ARG HA H 3.59 0.01 1 67 . 10 ARG HB2 H 1.70 0.01 2 68 . 10 ARG HB3 H 1.82 0.01 2 69 . 10 ARG HG2 H 1.46 0.01 2 70 . 10 ARG HG3 H 1.39 0.01 2 71 . 10 ARG C C 178.03 0.01 1 72 . 10 ARG CA C 59.94 0.01 1 73 . 10 ARG N N 116.62 0.01 1 74 . 11 GLU H H 7.75 0.01 1 75 . 11 GLU HA H 3.85 0.01 1 76 . 11 GLU HB2 H 2.01 0.01 2 77 . 11 GLU HB3 H 2.26 0.01 2 78 . 11 GLU HG2 H 2.34 0.01 1 79 . 11 GLU HG3 H 2.34 0.01 1 80 . 11 GLU C C 179.10 0.01 1 81 . 11 GLU CA C 59.27 0.01 1 82 . 11 GLU N N 116.89 0.01 1 83 . 12 ALA H H 8.46 0.01 1 84 . 12 ALA HA H 3.94 0.01 1 85 . 12 ALA HB H 1.35 0.01 1 86 . 12 ALA C C 176.68 0.01 1 87 . 12 ALA CA C 55.01 0.01 1 88 . 12 ALA N N 122.15 0.01 1 89 . 13 VAL H H 7.91 0.01 1 90 . 13 VAL HA H 3.12 0.01 1 91 . 13 VAL HB H 1.85 0.01 1 92 . 13 VAL HG1 H -0.11 0.01 2 93 . 13 VAL HG2 H 0.46 0.01 2 94 . 13 VAL C C 177.45 0.01 1 95 . 13 VAL CA C 66.82 0.01 1 96 . 13 VAL N N 120.04 0.01 1 97 . 14 LEU H H 8.41 0.01 1 98 . 14 LEU HA H 3.79 0.01 1 99 . 14 LEU HB2 H 1.92 0.01 2 100 . 14 LEU HB3 H 1.46 0.01 2 101 . 14 LEU HG H 1.69 0.01 1 102 . 14 LEU HD1 H 0.79 0.01 1 103 . 14 LEU HD2 H 0.79 0.01 1 104 . 14 LEU C C 180.66 0.01 1 105 . 14 LEU CA C 58.48 0.01 1 106 . 14 LEU N N 120.35 0.01 1 107 . 15 ARG H H 8.20 0.01 1 108 . 15 ARG HA H 4.22 0.01 1 109 . 15 ARG HB2 H 1.96 0.01 1 110 . 15 ARG HB3 H 1.96 0.01 1 111 . 15 ARG HG2 H 1.86 0.01 1 112 . 15 ARG HG3 H 1.86 0.01 1 113 . 15 ARG C C 179.14 0.01 9 114 . 15 ARG CA C 58.49 0.01 1 115 . 15 ARG N N 118.64 0.01 9 116 . 16 ALA H H 7.98 0.01 1 117 . 16 ALA HA H 4.08 0.01 1 118 . 16 ALA HB H 1.50 0.01 1 119 . 16 ALA C C 180.03 0.01 1 120 . 16 ALA CA C 55.00 0.01 1 121 . 16 ALA N N 124.00 0.01 1 122 . 17 VAL H H 8.43 0.01 1 123 . 17 VAL HA H 3.52 0.01 1 124 . 17 VAL HB H 2.31 0.01 1 125 . 17 VAL HG1 H 0.93 0.01 1 126 . 17 VAL HG2 H 0.84 0.01 1 127 . 17 VAL C C 177.69 0.01 1 128 . 17 VAL CA C 66.98 0.01 1 129 . 17 VAL N N 119.35 0.01 1 130 . 18 ASP H H 7.79 0.01 1 131 . 18 ASP HA H 4.66 0.01 1 132 . 18 ASP HB2 H 2.82 0.01 2 133 . 18 ASP HB3 H 3.00 0.01 2 134 . 18 ASP C C 179.60 0.01 1 135 . 18 ASP CA C 57.65 0.01 1 136 . 18 ASP N N 120.49 0.01 1 137 . 19 ARG H H 7.90 0.01 1 138 . 19 ARG HA H 4.17 0.01 1 139 . 19 ARG HB2 H 2.02 0.01 2 140 . 19 ARG HB3 H 2.11 0.01 2 141 . 19 ARG HG2 H 1.74 0.01 2 142 . 19 ARG HG3 H 1.85 0.01 2 143 . 19 ARG HD2 H 3.22 0.01 2 144 . 19 ARG HD3 H 3.33 0.01 2 145 . 19 ARG C C 178.86 0.01 1 146 . 19 ARG CA C 58.10 0.01 1 147 . 19 ARG N N 120.92 0.01 1 148 . 20 LEU H H 8.77 0.01 1 149 . 20 LEU HA H 3.98 0.01 1 150 . 20 LEU HB2 H 1.98 0.01 2 151 . 20 LEU HB3 H 1.57 0.01 2 152 . 20 LEU HD1 H 0.85 0.01 2 153 . 20 LEU HD2 H 0.77 0.01 2 154 . 20 LEU C C 180.47 0.01 1 155 . 20 LEU CA C 57.98 0.01 1 156 . 20 LEU N N 121.44 0.01 1 157 . 21 ASN H H 8.24 0.01 1 158 . 21 ASN HA H 4.58 0.01 1 159 . 21 ASN HB2 H 2.70 0.01 2 160 . 21 ASN HB3 H 3.20 0.01 2 161 . 21 ASN HD21 H 8.57 0.01 9 162 . 21 ASN HD22 H 8.25 0.01 9 163 . 21 ASN C C 177.49 0.01 1 164 . 21 ASN CA C 56.07 0.01 1 165 . 21 ASN N N 116.45 0.01 1 166 . 22 GLU H H 8.10 0.01 1 167 . 22 GLU HA H 4.13 0.01 1 168 . 22 GLU HB2 H 2.20 0.01 2 169 . 22 GLU HB3 H 2.31 0.01 2 170 . 22 GLU HG2 H 2.47 0.01 1 171 . 22 GLU HG3 H 2.47 0.01 1 172 . 22 GLU C C 178.19 0.01 1 173 . 22 GLU CA C 58.85 0.01 1 174 . 22 GLU N N 120.42 0.01 1 175 . 23 GLN H H 7.56 0.01 1 176 . 23 GLN HA H 4.42 0.01 1 177 . 23 GLN HB2 H 2.02 0.01 2 178 . 23 GLN HB3 H 2.27 0.01 2 179 . 23 GLN HG2 H 2.46 0.01 2 180 . 23 GLN HG3 H 2.55 0.01 2 181 . 23 GLN HE21 H 7.54 0.01 2 182 . 23 GLN HE22 H 6.84 0.01 2 183 . 23 GLN C C 175.49 0.01 1 184 . 23 GLN CA C 55.29 0.01 1 185 . 23 GLN N N 115.84 0.01 1 186 . 24 SER H H 7.26 0.01 9 187 . 24 SER HA H 4.49 0.01 1 188 . 24 SER HB2 H 4.20 0.01 2 189 . 24 SER HB3 H 4.09 0.01 2 190 . 24 SER CA C 57.05 0.01 9 191 . 24 SER N N 115.31 0.01 9 192 . 25 SER H H 8.67 0.01 1 193 . 25 SER HA H 4.73 0.01 1 194 . 25 SER HB2 H 4.00 0.01 2 195 . 25 SER HB3 H 3.91 0.01 2 196 . 25 SER C C 175.28 0.01 1 197 . 25 SER CA C 57.33 0.01 1 198 . 25 SER N N 117.13 0.01 1 199 . 26 GLU H H 8.28 0.01 9 200 . 26 GLU HA H 4.43 0.01 1 201 . 26 GLU HB2 H 1.91 0.01 2 202 . 26 GLU HB3 H 2.36 0.01 2 203 . 26 GLU HG2 H 2.71 0.01 1 204 . 26 GLU HG3 H 2.71 0.01 1 205 . 26 GLU C C 174.58 0.01 9 206 . 26 GLU CA C 55.95 0.01 9 207 . 26 GLU N N 121.26 0.01 9 208 . 27 ALA H H 8.69 0.01 9 209 . 27 ALA HA H 4.22 0.01 1 210 . 27 ALA HB H 1.49 0.01 1 211 . 27 ALA C C 179.44 0.01 9 212 . 27 ALA CA C 54.41 0.01 1 213 . 27 ALA N N 121.81 0.01 1 214 . 28 ASN H H 8.01 0.01 9 215 . 28 ASN HA H 5.35 0.01 1 216 . 28 ASN HB2 H 2.56 0.01 2 217 . 28 ASN HB3 H 2.81 0.01 2 218 . 28 ASN HD21 H 7.80 0.01 2 219 . 28 ASN HD22 H 6.65 0.01 2 220 . 28 ASN C C 175.00 0.01 1 221 . 28 ASN CA C 51.78 0.01 9 222 . 28 ASN N N 113.33 0.01 9 223 . 29 LEU H H 8.32 0.01 1 224 . 29 LEU HA H 4.10 0.01 1 225 . 29 LEU HB2 H 1.44 0.01 2 226 . 29 LEU HB3 H 1.38 0.01 2 227 . 29 LEU HD1 H 0.78 0.01 1 228 . 29 LEU HD2 H 0.78 0.01 1 229 . 29 LEU C C 178.09 0.01 9 230 . 29 LEU CA C 55.12 0.01 1 231 . 29 LEU N N 119.09 0.01 1 232 . 30 TYR H H 9.37 0.01 9 233 . 30 TYR HA H 4.95 0.01 1 234 . 30 TYR HB2 H 2.98 0.01 9 235 . 30 TYR HB3 H 2.51 0.01 9 236 . 30 TYR HD1 H 7.01 0.01 1 237 . 30 TYR HD2 H 7.01 0.01 1 238 . 30 TYR HE1 H 6.64 0.01 1 239 . 30 TYR HE2 H 6.64 0.01 1 240 . 30 TYR C C 174.22 0.01 9 241 . 30 TYR CA C 58.28 0.01 9 242 . 30 TYR N N 126.61 0.01 9 243 . 31 ARG H H 8.57 0.01 9 244 . 31 ARG HA H 4.83 0.01 1 245 . 31 ARG HB2 H 1.48 0.01 2 246 . 31 ARG HB3 H 1.43 0.01 2 247 . 31 ARG HG2 H 1.49 0.01 1 248 . 31 ARG HG3 H 1.49 0.01 1 249 . 31 ARG C C 175.15 0.01 1 250 . 31 ARG CA C 53.10 0.01 9 251 . 31 ARG N N 119.81 0.01 9 252 . 32 LEU H H 8.86 0.01 1 253 . 32 LEU HA H 4.24 0.01 1 254 . 32 LEU HB2 H 1.90 0.01 2 255 . 32 LEU HB3 H 1.27 0.01 2 256 . 32 LEU HD1 H 0.81 0.01 2 257 . 32 LEU HD2 H 0.76 0.01 2 258 . 32 LEU C C 174.05 0.01 1 259 . 32 LEU CA C 57.14 0.01 1 260 . 32 LEU N N 124.91 0.01 1 261 . 33 LEU H H 9.43 0.01 1 262 . 33 LEU HA H 4.84 0.01 1 263 . 33 LEU HB2 H 1.96 0.01 2 264 . 33 LEU HB3 H 1.05 0.01 2 265 . 33 LEU HG H 1.36 0.01 1 266 . 33 LEU HD1 H 0.74 0.01 2 267 . 33 LEU HD2 H 0.38 0.01 2 268 . 33 LEU C C 175.62 0.01 1 269 . 33 LEU CA C 55.80 0.01 1 270 . 33 LEU N N 131.26 0.01 1 271 . 34 GLU H H 7.69 0.01 1 272 . 34 GLU HA H 4.66 0.01 1 273 . 34 GLU HB2 H 2.01 0.01 2 274 . 34 GLU HB3 H 1.90 0.01 2 275 . 34 GLU HG2 H 2.17 0.01 1 276 . 34 GLU HG3 H 2.17 0.01 1 277 . 34 GLU C C 173.59 0.01 1 278 . 34 GLU CA C 55.25 0.01 1 279 . 34 GLU N N 117.36 0.01 1 280 . 35 LEU H H 8.68 0.01 1 281 . 35 LEU HA H 4.87 0.01 1 282 . 35 LEU HB2 H 1.93 0.01 2 283 . 35 LEU HB3 H 1.53 0.01 2 284 . 35 LEU HG H 1.76 0.01 1 285 . 35 LEU HD1 H 1.09 0.01 2 286 . 35 LEU HD2 H 0.90 0.01 2 287 . 35 LEU C C 175.09 0.01 1 288 . 35 LEU CA C 54.04 0.01 1 289 . 35 LEU N N 125.05 0.01 1 290 . 36 ASP H H 8.58 0.01 1 291 . 36 ASP HA H 4.82 0.01 1 292 . 36 ASP HB2 H 2.76 0.01 2 293 . 36 ASP HB3 H 2.79 0.01 2 294 . 36 ASP C C 175.70 0.01 9 295 . 36 ASP CA C 53.90 0.01 1 296 . 36 ASP N N 126.84 0.01 1 297 . 37 GLN H H 8.64 0.01 9 298 . 37 GLN HA H 4.58 0.01 1 299 . 37 GLN HB2 H 2.00 0.01 1 300 . 37 GLN HB3 H 2.00 0.01 1 301 . 37 GLN HG2 H 2.30 0.01 2 302 . 37 GLN HG3 H 2.36 0.01 2 303 . 37 GLN HE21 H 7.65 0.01 9 304 . 37 GLN HE22 H 6.87 0.01 9 305 . 37 GLN CA C 55.60 0.01 1 306 . 37 GLN N N 122.80 0.01 9 307 . 38 PRO HA H 4.74 0.01 1 308 . 38 PRO HB2 H 1.81 0.01 2 309 . 38 PRO HB3 H 2.16 0.01 2 310 . 38 PRO HG2 H 1.62 0.01 1 311 . 38 PRO HG3 H 1.62 0.01 1 312 . 38 PRO HD2 H 3.83 0.01 2 313 . 38 PRO HD3 H 3.22 0.01 2 314 . 38 PRO CA C 61.27 0.01 1 315 . 39 PRO HA H 4.37 0.01 1 316 . 39 PRO HB2 H 1.83 0.01 2 317 . 39 PRO HB3 H 2.31 0.01 2 318 . 39 PRO HG2 H 2.01 0.01 1 319 . 39 PRO HG3 H 2.01 0.01 1 320 . 39 PRO HD2 H 3.76 0.01 2 321 . 39 PRO HD3 H 3.53 0.01 2 322 . 39 PRO C C 176.60 0.01 1 323 . 39 PRO CA C 62.82 0.01 9 324 . 40 LYS H H 8.43 0.01 9 325 . 40 LYS HA H 4.09 0.01 1 326 . 40 LYS HB2 H 1.82 0.01 1 327 . 40 LYS HB3 H 1.82 0.01 1 328 . 40 LYS HG2 H 1.39 0.01 1 329 . 40 LYS HG3 H 1.39 0.01 1 330 . 40 LYS C C 180.40 0.01 1 331 . 40 LYS CA C 56.40 0.01 9 332 . 40 LYS N N 118.41 0.01 9 333 . 41 ALA H H 7.90 0.01 1 334 . 41 ALA HA H 3.97 0.01 1 335 . 41 ALA C C 176.42 0.01 1 336 . 41 ALA CA C 53.38 0.01 9 337 . 41 ALA N N 123.68 0.01 1 338 . 42 ASP H H 8.14 0.01 9 339 . 42 ASP HA H 4.69 0.01 1 340 . 42 ASP HB2 H 2.56 0.01 2 341 . 42 ASP HB3 H 2.78 0.01 2 342 . 42 ASP C C 176.32 0.01 9 343 . 42 ASP CA C 53.80 0.01 1 344 . 42 ASP N N 115.37 0.01 9 345 . 43 GLU H H 7.92 0.01 9 346 . 43 GLU HA H 4.30 0.01 1 347 . 43 GLU HB2 H 1.90 0.01 2 348 . 43 GLU HB3 H 2.14 0.01 2 349 . 43 GLU HG2 H 2.21 0.01 1 350 . 43 GLU HG3 H 2.21 0.01 1 351 . 43 GLU C C 175.73 0.01 9 352 . 43 GLU CA C 55.67 0.01 1 353 . 43 GLU N N 119.31 0.01 9 354 . 44 ASP H H 8.58 0.01 9 355 . 44 ASP HA H 4.65 0.01 1 356 . 44 ASP HB2 H 2.61 0.01 2 357 . 44 ASP HB3 H 2.90 0.01 2 358 . 44 ASP CA C 52.90 0.01 9 359 . 44 ASP N N 118.78 0.01 9 360 . 45 PRO HA H 4.30 0.01 1 361 . 45 PRO HB2 H 1.94 0.01 2 362 . 45 PRO HB3 H 2.23 0.01 2 363 . 45 PRO HG2 H 2.40 0.01 1 364 . 45 PRO HG3 H 2.40 0.01 1 365 . 45 PRO HD2 H 3.83 0.01 1 366 . 45 PRO HD3 H 3.83 0.01 1 367 . 45 PRO C C 177.00 0.01 1 368 . 45 PRO CA C 64.36 0.01 1 369 . 46 GLY H H 8.64 0.01 1 370 . 46 GLY HA2 H 4.23 0.01 2 371 . 46 GLY HA3 H 3.78 0.01 2 372 . 46 GLY C C 174.67 0.01 1 373 . 46 GLY CA C 45.20 0.01 1 374 . 46 GLY N N 106.20 0.01 1 375 . 47 THR H H 7.55 0.01 1 376 . 47 THR HA H 4.69 0.01 1 377 . 47 THR HB H 4.17 0.01 1 378 . 47 THR HG2 H 1.30 0.01 1 379 . 47 THR CA C 59.17 0.01 1 380 . 47 THR N N 115.38 0.01 1 381 . 48 PRO HA H 4.60 0.01 1 382 . 48 PRO HB2 H 1.78 0.01 2 383 . 48 PRO HB3 H 2.17 0.01 2 384 . 48 PRO HG2 H 1.97 0.01 2 385 . 48 PRO HG3 H 2.08 0.01 2 386 . 48 PRO HD2 H 4.04 0.01 2 387 . 48 PRO HD3 H 3.72 0.01 2 388 . 48 PRO C C 176.45 0.01 9 389 . 48 PRO CA C 63.16 0.01 1 390 . 49 LYS H H 9.26 0.01 9 391 . 49 LYS HA H 5.07 0.01 9 392 . 49 LYS HB2 H 2.30 0.01 1 393 . 49 LYS HB3 H 2.30 0.01 1 394 . 49 LYS HG2 H 1.67 0.01 1 395 . 49 LYS HG3 H 1.67 0.01 1 396 . 49 LYS HD2 H 1.85 0.01 1 397 . 49 LYS HD3 H 1.85 0.01 1 398 . 49 LYS CA C 51.92 0.01 9 399 . 49 LYS N N 122.39 0.01 9 400 . 50 PRO HA H 4.97 0.01 1 401 . 50 PRO HB2 H 2.25 0.01 2 402 . 50 PRO HB3 H 2.41 0.01 2 403 . 50 PRO HG2 H 2.14 0.01 2 404 . 50 PRO HG3 H 2.19 0.01 2 405 . 50 PRO HD2 H 3.94 0.01 2 406 . 50 PRO HD3 H 3.79 0.01 2 407 . 50 PRO C C 176.47 0.01 1 408 . 50 PRO CA C 62.42 0.01 1 409 . 51 VAL H H 8.66 0.01 1 410 . 51 VAL HA H 4.73 0.01 1 411 . 51 VAL HG1 H 0.83 0.01 1 412 . 51 VAL HG2 H 0.80 0.01 1 413 . 51 VAL C C 174.12 0.01 1 414 . 51 VAL CA C 59.40 0.01 1 415 . 51 VAL N N 116.41 0.01 1 416 . 52 SER H H 8.65 0.01 1 417 . 52 SER HA H 5.27 0.01 1 418 . 52 SER HB2 H 3.83 0.01 1 419 . 52 SER HB3 H 3.83 0.01 1 420 . 52 SER C C 172.88 0.01 1 421 . 52 SER CA C 57.05 0.01 1 422 . 52 SER N N 118.39 0.01 1 423 . 53 PHE H H 8.66 0.01 1 424 . 53 PHE HA H 5.45 0.01 1 425 . 53 PHE HB2 H 3.32 0.01 1 426 . 53 PHE HB3 H 3.32 0.01 1 427 . 53 PHE HD1 H 6.71 0.01 1 428 . 53 PHE HD2 H 6.71 0.01 1 429 . 53 PHE HE1 H 6.82 0.01 1 430 . 53 PHE HE2 H 6.82 0.01 1 431 . 53 PHE HZ H 6.75 0.01 1 432 . 53 PHE C C 172.86 0.01 1 433 . 53 PHE CA C 55.62 0.01 1 434 . 53 PHE N N 120.77 0.01 1 435 . 54 THR H H 9.20 0.01 1 436 . 54 THR HA H 5.62 0.01 1 437 . 54 THR HB H 4.14 0.01 1 438 . 54 THR HG2 H 1.19 0.01 1 439 . 54 THR C C 175.97 0.01 1 440 . 54 THR CA C 58.30 0.01 1 441 . 54 THR N N 110.70 0.01 1 442 . 55 VAL H H 9.01 0.01 1 443 . 55 VAL HA H 5.36 0.01 1 444 . 55 VAL HB H 2.18 0.01 1 445 . 55 VAL HG1 H 1.09 0.01 2 446 . 55 VAL HG2 H 0.80 0.01 2 447 . 55 VAL C C 173.63 0.01 1 448 . 55 VAL CA C 58.12 0.01 1 449 . 55 VAL N N 113.27 0.01 1 450 . 56 LYS H H 9.28 0.01 1 451 . 56 LYS HA H 5.74 0.01 1 452 . 56 LYS HB2 H 1.83 0.01 2 453 . 56 LYS HB3 H 1.60 0.01 2 454 . 56 LYS HG2 H 1.38 0.01 1 455 . 56 LYS HG3 H 1.38 0.01 1 456 . 56 LYS HD2 H 1.24 0.01 2 457 . 56 LYS HD3 H 1.03 0.01 2 458 . 56 LYS HE2 H 2.81 0.01 2 459 . 56 LYS HE3 H 3.05 0.01 2 460 . 56 LYS C C 173.93 0.01 1 461 . 56 LYS CA C 54.12 0.01 1 462 . 56 LYS N N 120.92 0.01 1 463 . 57 GLU H H 8.47 0.01 1 464 . 57 GLU HA H 2.72 0.01 1 465 . 57 GLU HB2 H 1.80 0.01 1 466 . 57 GLU HB3 H 1.80 0.01 1 467 . 57 GLU HG2 H 1.92 0.01 2 468 . 57 GLU HG3 H 2.11 0.01 2 469 . 57 GLU C C 175.50 0.01 1 470 . 57 GLU CA C 57.50 0.01 1 471 . 57 GLU N N 129.38 0.01 1 472 . 58 THR H H 7.95 0.01 1 473 . 58 THR HA H 5.23 0.01 1 474 . 58 THR HB H 4.14 0.01 1 475 . 58 THR HG2 H 0.95 0.01 1 476 . 58 THR C C 174.31 0.01 1 477 . 58 THR CA C 60.35 0.01 1 478 . 58 THR N N 114.21 0.01 1 479 . 59 VAL H H 8.00 0.01 1 480 . 59 VAL HA H 4.11 0.01 1 481 . 59 VAL HB H 2.51 0.01 1 482 . 59 VAL HG1 H 0.99 0.01 2 483 . 59 VAL HG2 H 0.88 0.01 2 484 . 59 VAL C C 177.54 0.01 1 485 . 59 VAL CA C 61.08 0.01 1 486 . 59 VAL N N 105.60 0.01 1 487 . 60 CYS H H 8.20 0.01 1 488 . 60 CYS HA H 4.50 0.01 1 489 . 60 CYS HB2 H 2.86 0.01 1 490 . 60 CYS HB3 H 3.57 0.01 1 491 . 60 CYS CA C 52.59 0.01 1 492 . 60 CYS N N 122.06 0.01 1 493 . 61 PRO HA H 4.96 0.01 1 494 . 61 PRO HB2 H 1.88 0.01 2 495 . 61 PRO HB3 H 2.28 0.01 2 496 . 61 PRO HG2 H 1.98 0.01 2 497 . 61 PRO HG3 H 2.15 0.01 2 498 . 61 PRO HD2 H 4.06 0.01 2 499 . 61 PRO HD3 H 3.70 0.01 2 500 . 61 PRO C C 174.90 0.01 1 501 . 61 PRO CA C 61.88 0.01 1 502 . 62 ARG H H 8.05 0.01 1 503 . 62 ARG HA H 4.42 0.01 1 504 . 62 ARG HB2 H 1.68 0.01 1 505 . 62 ARG HB3 H 1.40 0.01 1 506 . 62 ARG HG2 H 1.33 0.01 1 507 . 62 ARG HG3 H 1.33 0.01 1 508 . 62 ARG HD2 H 3.20 0.01 2 509 . 62 ARG HD3 H 3.28 0.01 2 510 . 62 ARG CA C 52.80 0.01 1 511 . 62 ARG N N 118.08 0.01 1 512 . 63 PRO HA H 4.68 0.01 1 513 . 63 PRO HB2 H 2.08 0.01 2 514 . 63 PRO HB3 H 2.33 0.01 2 515 . 63 PRO HG2 H 1.90 0.01 2 516 . 63 PRO HG3 H 1.94 0.01 2 517 . 63 PRO HD2 H 3.60 0.01 2 518 . 63 PRO HD3 H 3.48 0.01 2 519 . 63 PRO C C 175.49 0.01 1 520 . 63 PRO CA C 62.05 0.01 1 521 . 64 THR H H 8.48 0.01 1 522 . 64 THR HA H 4.57 0.01 1 523 . 64 THR HB H 4.40 0.01 1 524 . 64 THR HG2 H 1.18 0.01 1 525 . 64 THR C C 174.92 0.01 1 526 . 64 THR CA C 60.82 0.01 1 527 . 64 THR N N 114.68 0.01 1 528 . 65 ARG H H 8.53 0.01 1 529 . 65 ARG HA H 4.46 0.01 1 530 . 65 ARG HB2 H 2.01 0.01 1 531 . 65 ARG HB3 H 2.01 0.01 1 532 . 65 ARG HG2 H 1.68 0.01 1 533 . 65 ARG HG3 H 1.68 0.01 1 534 . 65 ARG HD2 H 3.20 0.01 1 535 . 65 ARG HD3 H 3.20 0.01 1 536 . 65 ARG C C 176.39 0.01 1 537 . 65 ARG CA C 55.32 0.01 1 538 . 65 ARG N N 124.70 0.01 1 539 . 66 GLN H H 8.26 0.01 1 540 . 66 GLN HA H 4.54 0.01 1 541 . 66 GLN HB2 H 1.88 0.01 1 542 . 66 GLN HB3 H 1.88 0.01 1 543 . 66 GLN HG2 H 2.04 0.01 2 544 . 66 GLN HG3 H 2.21 0.01 2 545 . 66 GLN CA C 53.91 0.01 1 546 . 66 GLN N N 123.40 0.01 1 547 . 67 PRO HA H 4.65 0.01 1 548 . 67 PRO HB2 H 1.82 0.01 2 549 . 67 PRO HB3 H 2.37 0.01 2 550 . 67 PRO HG2 H 2.00 0.01 2 551 . 67 PRO HG3 H 2.10 0.01 2 552 . 67 PRO HD2 H 3.83 0.01 2 553 . 67 PRO HD3 H 4.39 0.01 2 554 . 67 PRO CA C 60.73 0.01 1 555 . 68 PRO HA H 3.85 0.01 1 556 . 68 PRO HB2 H 2.01 0.01 2 557 . 68 PRO HB3 H 2.25 0.01 2 558 . 68 PRO HG2 H 2.01 0.01 1 559 . 68 PRO HG3 H 2.01 0.01 1 560 . 68 PRO HD2 H 4.00 0.01 2 561 . 68 PRO HD3 H 3.88 0.01 2 562 . 68 PRO C C 177.80 0.01 1 563 . 68 PRO CA C 65.30 0.01 1 564 . 69 GLU H H 8.36 0.01 1 565 . 69 GLU HA H 3.81 0.01 1 566 . 69 GLU HB2 H 1.90 0.01 2 567 . 69 GLU HB3 H 2.01 0.01 2 568 . 69 GLU HG2 H 2.21 0.01 1 569 . 69 GLU HG3 H 2.21 0.01 1 570 . 69 GLU C C 176.52 0.01 1 571 . 69 GLU CA C 58.02 0.01 1 572 . 69 GLU N N 111.96 0.01 1 573 . 70 LEU H H 7.72 0.01 1 574 . 70 LEU HA H 4.36 0.01 1 575 . 70 LEU HB2 H 1.70 0.01 1 576 . 70 LEU HB3 H 1.70 0.01 1 577 . 70 LEU HG H 1.53 0.01 1 578 . 70 LEU HD1 H 0.80 0.01 2 579 . 70 LEU HD2 H 0.78 0.01 2 580 . 70 LEU C C 176.75 0.01 1 581 . 70 LEU CA C 53.92 0.01 1 582 . 70 LEU N N 117.22 0.01 1 583 . 71 CYS H H 7.72 0.01 1 584 . 71 CYS HA H 4.51 0.01 1 585 . 71 CYS HB2 H 3.53 0.01 1 586 . 71 CYS HB3 H 2.55 0.01 1 587 . 71 CYS C C 172.91 0.01 1 588 . 71 CYS CA C 55.80 0.01 1 589 . 71 CYS N N 121.18 0.01 1 590 . 72 ASP H H 8.43 0.01 1 591 . 72 ASP HA H 4.16 0.01 1 592 . 72 ASP HB2 H 2.41 0.01 2 593 . 72 ASP HB3 H 2.61 0.01 2 594 . 72 ASP C C 176.19 0.01 1 595 . 72 ASP CA C 54.12 0.01 1 596 . 72 ASP N N 123.72 0.01 1 597 . 73 PHE H H 8.15 0.01 1 598 . 73 PHE HA H 4.33 0.01 1 599 . 73 PHE HB2 H 2.75 0.01 2 600 . 73 PHE HB3 H 2.80 0.01 2 601 . 73 PHE HD1 H 7.16 0.01 1 602 . 73 PHE HD2 H 7.16 0.01 1 603 . 73 PHE HE1 H 7.31 0.01 1 604 . 73 PHE HE2 H 7.31 0.01 1 605 . 73 PHE HZ H 7.51 0.01 1 606 . 73 PHE C C 176.45 0.01 9 607 . 73 PHE CA C 59.48 0.01 1 608 . 73 PHE N N 117.57 0.01 1 609 . 74 LYS H H 9.02 0.01 1 610 . 74 LYS HA H 4.04 0.01 1 611 . 74 LYS HB2 H 1.35 0.01 2 612 . 74 LYS HB3 H 1.15 0.01 2 613 . 74 LYS HG2 H 1.27 0.01 2 614 . 74 LYS HG3 H 1.23 0.01 2 615 . 74 LYS HD2 H 1.42 0.01 2 616 . 74 LYS HD3 H 1.34 0.01 2 617 . 74 LYS HE2 H 2.87 0.01 1 618 . 74 LYS HE3 H 2.87 0.01 1 619 . 74 LYS C C 177.48 0.01 1 620 . 74 LYS CA C 55.69 0.01 1 621 . 74 LYS N N 124.41 0.01 1 622 . 75 GLU H H 8.99 0.01 1 623 . 75 GLU HA H 4.01 0.01 1 624 . 75 GLU HB2 H 1.90 0.01 2 625 . 75 GLU HB3 H 2.00 0.01 2 626 . 75 GLU HG2 H 2.25 0.01 1 627 . 75 GLU HG3 H 2.25 0.01 1 628 . 75 GLU C C 177.60 0.01 1 629 . 75 GLU CA C 58.40 0.01 1 630 . 75 GLU N N 130.39 0.01 1 631 . 76 ASN H H 8.93 0.01 1 632 . 76 ASN HA H 4.62 0.01 1 633 . 76 ASN HB2 H 2.96 0.01 2 634 . 76 ASN HB3 H 2.89 0.01 2 635 . 76 ASN HD21 H 7.61 0.01 2 636 . 76 ASN HD22 H 6.92 0.01 2 637 . 76 ASN C C 175.72 0.01 1 638 . 76 ASN CA C 53.50 0.01 1 639 . 76 ASN N N 119.40 0.01 1 640 . 77 GLY H H 7.85 0.01 1 641 . 77 GLY HA2 H 3.94 0.01 2 642 . 77 GLY HA3 H 3.45 0.01 2 643 . 77 GLY C C 172.33 0.01 1 644 . 77 GLY CA C 45.54 0.01 1 645 . 77 GLY N N 104.62 0.01 1 646 . 78 ARG H H 8.93 0.01 1 647 . 78 ARG HA H 4.24 0.01 1 648 . 78 ARG HB2 H 1.90 0.01 2 649 . 78 ARG HB3 H 2.40 0.01 2 650 . 78 ARG HG2 H 1.81 0.01 1 651 . 78 ARG HG3 H 1.81 0.01 1 652 . 78 ARG HD2 H 3.30 0.01 1 653 . 78 ARG HD3 H 3.30 0.01 1 654 . 78 ARG C C 175.30 0.01 1 655 . 78 ARG CA C 57.35 0.01 1 656 . 78 ARG N N 123.53 0.01 1 657 . 79 VAL H H 8.67 0.01 1 658 . 79 VAL HA H 5.19 0.01 1 659 . 79 VAL HB H 1.89 0.01 1 660 . 79 VAL HG1 H 0.97 0.01 2 661 . 79 VAL HG2 H 0.93 0.01 2 662 . 79 VAL C C 176.09 0.01 9 663 . 79 VAL CA C 60.63 0.01 1 664 . 79 VAL N N 120.61 0.01 1 665 . 80 LYS H H 8.89 0.01 1 666 . 80 LYS HA H 5.12 0.01 1 667 . 80 LYS HB2 H 1.37 0.01 2 668 . 80 LYS HB3 H 1.27 0.01 2 669 . 80 LYS HG2 H 1.03 0.01 1 670 . 80 LYS HG3 H 1.03 0.01 1 671 . 80 LYS HD2 H 1.09 0.01 1 672 . 80 LYS HD3 H 1.09 0.01 1 673 . 80 LYS C C 174.05 0.01 1 674 . 80 LYS CA C 53.70 0.01 1 675 . 80 LYS N N 120.83 0.01 1 676 . 81 GLN H H 8.81 0.01 1 677 . 81 GLN HA H 4.74 0.01 1 678 . 81 GLN HB2 H 2.06 0.01 2 679 . 81 GLN HB3 H 1.88 0.01 2 680 . 81 GLN HG2 H 2.18 0.01 1 681 . 81 GLN HG3 H 2.18 0.01 1 682 . 81 GLN HE21 H 7.02 0.01 2 683 . 81 GLN HE22 H 6.80 0.01 2 684 . 81 GLN C C 175.28 0.01 1 685 . 81 GLN CA C 54.28 0.01 1 686 . 81 GLN N N 121.14 0.01 1 687 . 82 CYS H H 9.44 0.01 1 688 . 82 CYS HA H 5.44 0.01 1 689 . 82 CYS HB2 H 1.84 0.01 1 690 . 82 CYS HB3 H 1.02 0.01 1 691 . 82 CYS C C 172.76 0.01 1 692 . 82 CYS CA C 54.50 0.01 1 693 . 82 CYS N N 127.31 0.01 1 694 . 83 VAL H H 8.53 0.01 1 695 . 83 VAL HA H 5.07 0.01 1 696 . 83 VAL HB H 2.13 0.01 1 697 . 83 VAL HG1 H 0.98 0.01 2 698 . 83 VAL HG2 H 0.92 0.01 2 699 . 83 VAL C C 175.11 0.01 1 700 . 83 VAL CA C 59.31 0.01 1 701 . 83 VAL N N 117.02 0.01 1 702 . 84 GLY H H 7.97 0.01 1 703 . 84 GLY HA2 H 5.27 0.01 2 704 . 84 GLY HA3 H 3.97 0.01 2 705 . 84 GLY C C 173.43 0.01 1 706 . 84 GLY CA C 45.21 0.01 1 707 . 84 GLY N N 110.94 0.01 1 708 . 85 THR H H 9.04 0.01 1 709 . 85 THR HA H 5.53 0.01 1 710 . 85 THR HB H 3.91 0.01 1 711 . 85 THR HG2 H 1.12 0.01 1 712 . 85 THR C C 173.06 0.01 1 713 . 85 THR CA C 60.23 0.01 1 714 . 85 THR N N 117.62 0.01 1 715 . 86 VAL H H 8.79 0.01 1 716 . 86 VAL HA H 4.77 0.01 1 717 . 86 VAL HB H 2.04 0.01 1 718 . 86 VAL HG1 H 0.77 0.01 2 719 . 86 VAL HG2 H 0.70 0.01 2 720 . 86 VAL CA C 59.35 0.01 1 721 . 86 VAL N N 111.70 0.01 1 722 . 87 THR H H 7.93 0.01 1 723 . 87 THR HA H 4.73 0.01 1 724 . 87 THR HB H 4.44 0.01 1 725 . 87 THR HG2 H 1.15 0.01 1 726 . 87 THR C C 176.77 0.01 1 727 . 87 THR CA C 59.79 0.01 1 728 . 87 THR N N 113.15 0.01 1 729 . 88 LEU H H 8.73 0.01 1 730 . 88 LEU HA H 4.21 0.01 1 731 . 88 LEU HB2 H 2.13 0.01 2 732 . 88 LEU HB3 H 1.68 0.01 2 733 . 88 LEU HG H 1.68 0.01 1 734 . 88 LEU HD1 H 0.65 0.01 1 735 . 88 LEU HD2 H 0.65 0.01 1 736 . 88 LEU C C 177.08 0.01 1 737 . 88 LEU CA C 55.80 0.01 1 738 . 88 LEU N N 119.28 0.01 1 739 . 89 ASP H H 8.38 0.01 1 740 . 89 ASP HA H 4.54 0.01 1 741 . 89 ASP HB2 H 2.46 0.01 2 742 . 89 ASP HB3 H 2.78 0.01 2 743 . 89 ASP C C 176.65 0.01 1 744 . 89 ASP CA C 54.00 0.01 1 745 . 89 ASP N N 116.20 0.01 1 746 . 90 GLN H H 7.73 0.01 1 747 . 90 GLN HA H 4.37 0.01 1 748 . 90 GLN HB2 H 1.88 0.01 2 749 . 90 GLN HB3 H 2.05 0.01 2 750 . 90 GLN HG2 H 2.36 0.01 1 751 . 90 GLN HG3 H 2.36 0.01 1 752 . 90 GLN C C 174.22 0.01 1 753 . 90 GLN CA C 54.70 0.01 1 754 . 90 GLN N N 116.43 0.01 1 755 . 91 ILE H H 8.49 0.01 1 756 . 91 ILE HA H 4.10 0.01 1 757 . 91 ILE HB H 1.78 0.01 1 758 . 91 ILE HG12 H 1.22 0.01 2 759 . 91 ILE HG13 H 1.46 0.01 2 760 . 91 ILE HG2 H 0.82 0.01 1 761 . 91 ILE HD1 H 0.83 0.01 1 762 . 91 ILE C C 175.40 0.01 1 763 . 91 ILE CA C 60.63 0.01 1 764 . 91 ILE N N 123.02 0.01 1 765 . 92 LYS H H 8.29 0.01 1 766 . 92 LYS HA H 4.35 0.01 1 767 . 92 LYS HB2 H 1.78 0.01 1 768 . 92 LYS HB3 H 1.78 0.01 1 769 . 92 LYS HG2 H 1.38 0.01 1 770 . 92 LYS HG3 H 1.38 0.01 1 771 . 92 LYS HD2 H 1.67 0.01 1 772 . 92 LYS HD3 H 1.67 0.01 1 773 . 92 LYS HE2 H 2.98 0.01 1 774 . 92 LYS HE3 H 2.98 0.01 1 775 . 92 LYS C C 174.34 0.01 1 776 . 92 LYS CA C 55.28 0.01 1 777 . 92 LYS N N 127.90 0.01 1 778 . 93 ASP H H 8.13 0.01 1 779 . 93 ASP HA H 4.76 0.01 1 780 . 93 ASP HB2 H 2.40 0.01 2 781 . 93 ASP HB3 H 2.63 0.01 2 782 . 93 ASP CA C 51.43 0.01 1 783 . 93 ASP N N 121.28 0.01 1 784 . 94 PRO HA H 4.85 0.01 1 785 . 94 PRO HB2 H 2.08 0.01 2 786 . 94 PRO HB3 H 2.38 0.01 2 787 . 94 PRO HG2 H 1.89 0.01 1 788 . 94 PRO HG3 H 1.89 0.01 1 789 . 94 PRO HD2 H 3.55 0.01 2 790 . 94 PRO HD3 H 3.49 0.01 2 791 . 94 PRO C C 176.84 0.01 1 792 . 94 PRO CA C 63.28 0.01 1 793 . 95 LEU H H 8.62 0.01 1 794 . 95 LEU HA H 4.24 0.01 1 795 . 95 LEU HB2 H 1.70 0.01 1 796 . 95 LEU HB3 H 1.70 0.01 1 797 . 95 LEU HG H 1.74 0.01 1 798 . 95 LEU HD1 H 0.94 0.01 2 799 . 95 LEU HD2 H 1.00 0.01 2 800 . 95 LEU C C 177.67 0.01 1 801 . 95 LEU CA C 55.20 0.01 1 802 . 95 LEU N N 121.41 0.01 1 803 . 96 ASP H H 9.06 0.01 1 804 . 96 ASP HA H 4.90 0.01 1 805 . 96 ASP HB2 H 2.46 0.01 2 806 . 96 ASP HB3 H 2.91 0.01 2 807 . 96 ASP C C 175.27 0.01 1 808 . 96 ASP CA C 52.95 0.01 1 809 . 96 ASP N N 127.21 0.01 1 810 . 97 ILE H H 7.10 0.01 1 811 . 97 ILE HA H 4.77 0.01 1 812 . 97 ILE HB H 1.49 0.01 1 813 . 97 ILE HG12 H 0.98 0.01 1 814 . 97 ILE HG13 H 0.98 0.01 1 815 . 97 ILE HG2 H 0.70 0.01 1 816 . 97 ILE HD1 H 0.81 0.01 1 817 . 97 ILE C C 174.92 0.01 1 818 . 97 ILE CA C 59.33 0.01 1 819 . 97 ILE N N 116.62 0.01 1 820 . 98 THR H H 8.52 0.01 1 821 . 98 THR HA H 4.54 0.01 1 822 . 98 THR HB H 4.00 0.01 1 823 . 98 THR HG2 H 1.19 0.01 1 824 . 98 THR C C 173.76 0.01 1 825 . 98 THR CA C 60.70 0.01 1 826 . 98 THR N N 120.21 0.01 1 827 . 99 CYS H H 8.86 0.01 1 828 . 99 CYS HA H 5.69 0.01 1 829 . 99 CYS HB2 H 2.94 0.01 1 830 . 99 CYS HB3 H 2.32 0.01 1 831 . 99 CYS C C 173.15 0.01 1 832 . 99 CYS CA C 54.60 0.01 1 833 . 99 CYS N N 122.29 0.01 1 834 . 100 ASN H H 8.82 0.01 1 835 . 100 ASN HA H 5.01 0.01 1 836 . 100 ASN HB2 H 2.69 0.01 2 837 . 100 ASN HB3 H 2.64 0.01 2 838 . 100 ASN HD21 H 7.58 0.01 2 839 . 100 ASN HD22 H 6.87 0.01 2 840 . 100 ASN C C 174.00 0.01 1 841 . 100 ASN CA C 51.92 0.01 1 842 . 100 ASN N N 119.52 0.01 1 843 . 101 GLU H H 8.96 0.01 1 844 . 101 GLU HA H 4.48 0.01 1 845 . 101 GLU HB2 H 2.29 0.01 2 846 . 101 GLU HB3 H 2.04 0.01 2 847 . 101 GLU HG2 H 2.44 0.01 1 848 . 101 GLU HG3 H 2.44 0.01 1 849 . 101 GLU C C 176.08 0.01 1 850 . 101 GLU CA C 57.35 0.01 1 851 . 101 GLU N N 123.58 0.01 1 852 . 102 VAL H H 8.50 0.01 1 853 . 102 VAL HA H 4.27 0.01 1 854 . 102 VAL HB H 2.02 0.01 1 855 . 102 VAL HG1 H 0.91 0.01 2 856 . 102 VAL HG2 H 0.86 0.01 2 857 . 102 VAL C C 175.53 0.01 1 858 . 102 VAL CA C 61.46 0.01 1 859 . 102 VAL N N 123.65 0.01 1 860 . 103 GLN H H 8.54 0.01 1 861 . 103 GLN HA H 4.46 0.01 1 862 . 103 GLN HB2 H 2.04 0.01 1 863 . 103 GLN HB3 H 2.04 0.01 1 864 . 103 GLN HG2 H 2.15 0.01 2 865 . 103 GLN HG3 H 2.43 0.01 2 866 . 103 GLN HE21 H 7.58 0.01 2 867 . 103 GLN HE22 H 6.84 0.01 2 868 . 103 GLN C C 176.34 0.01 1 869 . 103 GLN CA C 55.59 0.01 1 870 . 103 GLN N N 123.92 0.01 1 871 . 104 GLY H H 8.50 0.01 1 872 . 104 GLY HA2 H 4.00 0.01 2 873 . 104 GLY HA3 H 3.90 0.01 2 874 . 104 GLY C C 173.21 0.01 1 875 . 104 GLY CA C 45.30 0.01 1 876 . 104 GLY N N 110.47 0.01 1 877 . 105 VAL H H 7.55 0.01 1 878 . 105 VAL HA H 4.08 0.01 1 879 . 105 VAL HG1 H 0.89 0.01 2 880 . 105 VAL HG2 H 0.84 0.01 2 881 . 105 VAL CA C 63.06 0.01 1 882 . 105 VAL N N 122.12 0.01 1 stop_ save_ save_cis88-trans119_shift_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cathelin-like domain of protegrins' _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 GLY HA2 H 3.90 0.01 1 2 . 1 GLY HA3 H 3.90 0.01 1 3 . 1 GLY CA C 43.03 0.01 1 4 . 2 SER H H 8.66 0.01 1 5 . 2 SER HA H 4.47 0.01 1 6 . 2 SER HB2 H 3.84 0.01 1 7 . 2 SER HB3 H 3.84 0.01 1 8 . 2 SER CA C 58.23 0.01 1 9 . 3 HIS H H 8.68 0.01 1 10 . 3 HIS HA H 4.45 0.01 1 11 . 3 HIS HB2 H 3.12 0.01 2 12 . 3 HIS HB3 H 3.22 0.01 2 13 . 3 HIS C C 174.48 0.01 1 14 . 3 HIS CA C 55.40 0.01 1 15 . 3 HIS N N 120.43 0.01 1 16 . 4 MET H H 8.41 0.01 1 17 . 4 MET HA H 4.47 0.01 1 18 . 4 MET HE H 2.07 0.01 1 19 . 4 MET C C 175.80 0.01 1 20 . 4 MET CA C 55.32 0.01 1 21 . 4 MET N N 121.44 0.01 1 22 . 5 GLN H H 8.41 0.01 1 23 . 5 GLN HA H 4.30 0.01 1 24 . 5 GLN HB2 H 2.19 0.01 2 25 . 5 GLN HB3 H 2.02 0.01 2 26 . 5 GLN HG2 H 2.37 0.01 1 27 . 5 GLN HG3 H 2.37 0.01 1 28 . 5 GLN C C 175.21 0.01 1 29 . 5 GLN CA C 55.68 0.01 1 30 . 5 GLN N N 121.90 0.01 1 31 . 6 ALA H H 8.33 0.01 1 32 . 6 ALA HA H 4.36 0.01 1 33 . 6 ALA HB H 1.33 0.01 1 34 . 6 ALA C C 177.55 0.01 1 35 . 6 ALA CA C 52.20 0.01 1 36 . 6 ALA N N 125.30 0.01 1 37 . 7 LEU H H 8.25 0.01 1 38 . 7 LEU HA H 4.43 0.01 1 39 . 7 LEU HB2 H 1.71 0.01 2 40 . 7 LEU HB3 H 1.66 0.01 2 41 . 7 LEU HG H 1.60 0.01 1 42 . 7 LEU HD1 H 0.81 0.01 1 43 . 7 LEU HD2 H 0.81 0.01 1 44 . 7 LEU C C 177.43 0.01 1 45 . 7 LEU CA C 54.61 0.01 1 46 . 7 LEU N N 120.70 0.01 1 47 . 8 SER H H 8.29 0.01 1 48 . 8 SER HA H 4.57 0.01 1 49 . 8 SER HB2 H 4.33 0.01 2 50 . 8 SER HB3 H 4.00 0.01 2 51 . 8 SER C C 174.80 0.01 1 52 . 8 SER CA C 57.28 0.01 1 53 . 8 SER N N 114.93 0.01 1 54 . 9 TYR H H 9.12 0.01 1 55 . 9 TYR HA H 3.97 0.01 1 56 . 9 TYR HB2 H 2.90 0.01 2 57 . 9 TYR HB3 H 3.05 0.01 2 58 . 9 TYR HD1 H 6.94 0.01 1 59 . 9 TYR HD2 H 6.94 0.01 1 60 . 9 TYR HE1 H 6.66 0.01 1 61 . 9 TYR HE2 H 6.66 0.01 1 62 . 9 TYR C C 176.67 0.01 1 63 . 9 TYR CA C 62.42 0.01 1 64 . 9 TYR N N 122.77 0.01 1 65 . 10 ARG H H 8.68 0.01 1 66 . 10 ARG HA H 3.59 0.01 1 67 . 10 ARG HB2 H 1.70 0.01 2 68 . 10 ARG HB3 H 1.82 0.01 2 69 . 10 ARG HG2 H 1.46 0.01 2 70 . 10 ARG HG3 H 1.39 0.01 2 71 . 10 ARG C C 178.03 0.01 1 72 . 10 ARG CA C 59.94 0.01 1 73 . 10 ARG N N 116.71 0.01 1 74 . 11 GLU H H 7.80 0.01 1 75 . 11 GLU HA H 3.85 0.01 1 76 . 11 GLU HB2 H 2.01 0.01 2 77 . 11 GLU HB3 H 2.26 0.01 2 78 . 11 GLU HG2 H 2.34 0.01 1 79 . 11 GLU HG3 H 2.34 0.01 1 80 . 11 GLU C C 178.74 0.01 1 81 . 11 GLU CA C 59.30 0.01 1 82 . 11 GLU N N 116.93 0.01 1 83 . 12 ALA H H 8.35 0.01 1 84 . 12 ALA HA H 3.94 0.01 1 85 . 12 ALA HB H 1.35 0.01 1 86 . 12 ALA C C 176.73 0.01 1 87 . 12 ALA CA C 55.00 0.01 1 88 . 12 ALA N N 122.15 0.01 1 89 . 13 VAL H H 7.92 0.01 1 90 . 13 VAL HA H 3.12 0.01 1 91 . 13 VAL HB H 1.85 0.01 1 92 . 13 VAL HG1 H -0.11 0.01 2 93 . 13 VAL HG2 H 0.46 0.01 2 94 . 13 VAL C C 177.45 0.01 1 95 . 13 VAL CA C 66.70 0.01 1 96 . 13 VAL N N 120.19 0.01 1 97 . 14 LEU H H 8.43 0.01 1 98 . 14 LEU HA H 3.79 0.01 1 99 . 14 LEU HB2 H 1.92 0.01 2 100 . 14 LEU HB3 H 1.46 0.01 2 101 . 14 LEU HG H 1.69 0.01 1 102 . 14 LEU HD1 H 0.79 0.01 1 103 . 14 LEU HD2 H 0.79 0.01 1 104 . 14 LEU C C 180.64 0.01 1 105 . 14 LEU CA C 58.42 0.01 1 106 . 14 LEU N N 120.35 0.01 1 107 . 15 ARG H H 8.17 0.01 1 108 . 15 ARG HA H 4.22 0.01 1 109 . 15 ARG HB2 H 1.96 0.01 1 110 . 15 ARG HB3 H 1.96 0.01 1 111 . 15 ARG HG2 H 1.86 0.01 1 112 . 15 ARG HG3 H 1.86 0.01 1 113 . 15 ARG C C 179.14 0.01 9 114 . 15 ARG CA C 58.49 0.01 1 115 . 15 ARG N N 118.51 0.01 9 116 . 16 ALA H H 7.95 0.01 1 117 . 16 ALA HA H 4.08 0.01 1 118 . 16 ALA HB H 1.50 0.01 1 119 . 16 ALA C C 180.03 0.01 1 120 . 16 ALA CA C 55.00 0.01 1 121 . 16 ALA N N 124.00 0.01 1 122 . 17 VAL H H 8.41 0.01 1 123 . 17 VAL HA H 3.52 0.01 1 124 . 17 VAL HB H 2.31 0.01 1 125 . 17 VAL HG1 H 0.93 0.01 1 126 . 17 VAL HG2 H 0.84 0.01 1 127 . 17 VAL C C 177.94 0.01 1 128 . 17 VAL CA C 66.98 0.01 1 129 . 17 VAL N N 119.37 0.01 1 130 . 18 ASP H H 7.72 0.01 1 131 . 18 ASP HA H 4.69 0.01 1 132 . 18 ASP HB2 H 2.81 0.01 2 133 . 18 ASP HB3 H 2.98 0.01 2 134 . 18 ASP C C 179.60 0.01 1 135 . 18 ASP CA C 57.49 0.01 1 136 . 18 ASP N N 119.92 0.01 1 137 . 19 ARG H H 7.92 0.01 1 138 . 19 ARG HA H 4.17 0.01 1 139 . 19 ARG HB2 H 2.02 0.01 2 140 . 19 ARG HB3 H 2.11 0.01 2 141 . 19 ARG HG2 H 1.74 0.01 2 142 . 19 ARG HG3 H 1.85 0.01 2 143 . 19 ARG HD2 H 3.22 0.01 2 144 . 19 ARG HD3 H 3.33 0.01 2 145 . 19 ARG C C 178.76 0.01 1 146 . 19 ARG CA C 58.10 0.01 1 147 . 19 ARG N N 120.91 0.01 1 148 . 20 LEU H H 8.69 0.01 1 149 . 20 LEU HA H 3.98 0.01 1 150 . 20 LEU HB2 H 1.98 0.01 2 151 . 20 LEU HB3 H 1.57 0.01 2 152 . 20 LEU HD1 H 0.85 0.01 2 153 . 20 LEU HD2 H 0.77 0.01 2 154 . 20 LEU C C 180.77 0.01 1 155 . 20 LEU CA C 57.98 0.01 1 156 . 20 LEU N N 121.26 0.01 1 157 . 21 ASN H H 8.27 0.01 1 158 . 21 ASN HA H 4.59 0.01 1 159 . 21 ASN HB2 H 2.72 0.01 2 160 . 21 ASN HB3 H 3.23 0.01 2 161 . 21 ASN HD21 H 8.57 0.01 9 162 . 21 ASN HD22 H 8.25 0.01 9 163 . 21 ASN C C 177.55 0.01 1 164 . 21 ASN CA C 56.18 0.01 1 165 . 21 ASN N N 116.78 0.01 1 166 . 22 GLU H H 8.12 0.01 1 167 . 22 GLU HA H 4.06 0.01 1 168 . 22 GLU HB2 H 2.20 0.01 2 169 . 22 GLU HB3 H 2.31 0.01 2 170 . 22 GLU HG2 H 2.47 0.01 1 171 . 22 GLU HG3 H 2.47 0.01 1 172 . 22 GLU C C 178.19 0.01 1 173 . 22 GLU CA C 58.94 0.01 1 174 . 22 GLU N N 120.39 0.01 1 175 . 23 GLN H H 7.56 0.01 1 176 . 23 GLN HA H 4.42 0.01 1 177 . 23 GLN HB2 H 2.02 0.01 2 178 . 23 GLN HB3 H 2.27 0.01 2 179 . 23 GLN HG2 H 2.46 0.01 2 180 . 23 GLN HG3 H 2.55 0.01 2 181 . 23 GLN HE21 H 7.54 0.01 2 182 . 23 GLN HE22 H 6.84 0.01 2 183 . 23 GLN C C 175.49 0.01 1 184 . 23 GLN CA C 55.29 0.01 1 185 . 23 GLN N N 115.84 0.01 1 186 . 24 SER H H 7.29 0.01 9 187 . 24 SER HA H 4.49 0.01 1 188 . 24 SER HB2 H 4.20 0.01 2 189 . 24 SER HB3 H 4.09 0.01 2 190 . 24 SER CA C 57.38 0.01 9 191 . 24 SER N N 115.31 0.01 9 192 . 25 SER H H 8.67 0.01 1 193 . 25 SER HA H 4.73 0.01 1 194 . 25 SER HB2 H 4.00 0.01 2 195 . 25 SER HB3 H 3.91 0.01 2 196 . 25 SER C C 175.28 0.01 1 197 . 25 SER CA C 57.33 0.01 1 198 . 25 SER N N 117.13 0.01 1 199 . 26 GLU H H 8.32 0.01 9 200 . 26 GLU HA H 4.43 0.01 1 201 . 26 GLU HB2 H 1.91 0.01 2 202 . 26 GLU HB3 H 2.36 0.01 2 203 . 26 GLU HG2 H 2.71 0.01 1 204 . 26 GLU HG3 H 2.71 0.01 1 205 . 26 GLU C C 174.48 0.01 9 206 . 26 GLU CA C 55.95 0.01 9 207 . 26 GLU N N 121.24 0.01 9 208 . 27 ALA H H 8.73 0.01 9 209 . 27 ALA HA H 4.22 0.01 1 210 . 27 ALA HB H 1.49 0.01 1 211 . 27 ALA C C 179.44 0.01 1 212 . 27 ALA CA C 54.41 0.01 1 213 . 27 ALA N N 121.95 0.01 1 214 . 28 ASN H H 8.07 0.01 9 215 . 28 ASN HA H 5.35 0.01 1 216 . 28 ASN HB2 H 2.56 0.01 2 217 . 28 ASN HB3 H 2.81 0.01 2 218 . 28 ASN HD21 H 7.80 0.01 2 219 . 28 ASN HD22 H 6.65 0.01 2 220 . 28 ASN C C 175.00 0.01 1 221 . 28 ASN CA C 51.72 0.01 9 222 . 28 ASN N N 113.51 0.01 9 223 . 29 LEU H H 8.32 0.01 1 224 . 29 LEU HA H 4.10 0.01 1 225 . 29 LEU HB2 H 1.44 0.01 2 226 . 29 LEU HB3 H 1.38 0.01 2 227 . 29 LEU HD1 H 0.78 0.01 1 228 . 29 LEU HD2 H 0.78 0.01 1 229 . 29 LEU C C 178.13 0.01 9 230 . 29 LEU CA C 55.12 0.01 1 231 . 29 LEU N N 119.09 0.01 1 232 . 30 TYR H H 9.48 0.01 9 233 . 30 TYR HA H 4.95 0.01 1 234 . 30 TYR HB2 H 2.99 0.01 9 235 . 30 TYR HB3 H 2.53 0.01 9 236 . 30 TYR HD1 H 7.01 0.01 1 237 . 30 TYR HD2 H 7.01 0.01 1 238 . 30 TYR HE1 H 6.64 0.01 1 239 . 30 TYR HE2 H 6.64 0.01 1 240 . 30 TYR C C 174.57 0.01 9 241 . 30 TYR CA C 58.30 0.01 9 242 . 30 TYR N N 126.51 0.01 9 243 . 31 ARG H H 8.60 0.01 9 244 . 31 ARG HA H 4.83 0.01 1 245 . 31 ARG HB2 H 1.48 0.01 2 246 . 31 ARG HB3 H 1.43 0.01 2 247 . 31 ARG HG2 H 1.49 0.01 1 248 . 31 ARG HG3 H 1.49 0.01 1 249 . 31 ARG C C 175.10 0.01 1 250 . 31 ARG CA C 53.30 0.01 9 251 . 31 ARG N N 120.19 0.01 9 252 . 32 LEU H H 8.89 0.01 1 253 . 32 LEU HA H 4.24 0.01 1 254 . 32 LEU HB2 H 1.90 0.01 2 255 . 32 LEU HB3 H 1.27 0.01 2 256 . 32 LEU HD1 H 0.81 0.01 2 257 . 32 LEU HD2 H 0.76 0.01 2 258 . 32 LEU C C 174.05 0.01 1 259 . 32 LEU CA C 57.10 0.01 1 260 . 32 LEU N N 125.13 0.01 1 261 . 33 LEU H H 9.43 0.01 1 262 . 33 LEU HA H 4.84 0.01 1 263 . 33 LEU HB2 H 1.96 0.01 2 264 . 33 LEU HB3 H 1.05 0.01 2 265 . 33 LEU HG H 1.36 0.01 1 266 . 33 LEU HD1 H 0.74 0.01 2 267 . 33 LEU HD2 H 0.38 0.01 2 268 . 33 LEU C C 175.62 0.01 1 269 . 33 LEU CA C 55.80 0.01 1 270 . 33 LEU N N 131.26 0.01 1 271 . 34 GLU H H 7.69 0.01 1 272 . 34 GLU HA H 4.66 0.01 1 273 . 34 GLU HB2 H 2.01 0.01 2 274 . 34 GLU HB3 H 1.90 0.01 2 275 . 34 GLU HG2 H 2.17 0.01 1 276 . 34 GLU HG3 H 2.17 0.01 1 277 . 34 GLU C C 173.59 0.01 1 278 . 34 GLU CA C 55.25 0.01 1 279 . 34 GLU N N 117.36 0.01 1 280 . 35 LEU H H 8.68 0.01 1 281 . 35 LEU HA H 4.87 0.01 1 282 . 35 LEU HB2 H 1.93 0.01 2 283 . 35 LEU HB3 H 1.53 0.01 2 284 . 35 LEU HG H 1.76 0.01 1 285 . 35 LEU HD1 H 1.09 0.01 2 286 . 35 LEU HD2 H 0.90 0.01 2 287 . 35 LEU C C 175.09 0.01 1 288 . 35 LEU CA C 54.04 0.01 1 289 . 35 LEU N N 125.05 0.01 1 290 . 36 ASP H H 8.58 0.01 1 291 . 36 ASP HA H 4.82 0.01 1 292 . 36 ASP HB2 H 2.76 0.01 2 293 . 36 ASP HB3 H 2.79 0.01 2 294 . 36 ASP C C 175.70 0.01 9 295 . 36 ASP CA C 53.90 0.01 1 296 . 36 ASP N N 126.84 0.01 1 297 . 37 GLN H H 8.62 0.01 9 298 . 37 GLN HA H 4.58 0.01 1 299 . 37 GLN HB2 H 2.00 0.01 1 300 . 37 GLN HB3 H 2.00 0.01 1 301 . 37 GLN HG2 H 2.30 0.01 2 302 . 37 GLN HG3 H 2.36 0.01 2 303 . 37 GLN HE21 H 7.62 0.01 9 304 . 37 GLN HE22 H 6.84 0.01 9 305 . 37 GLN CA C 55.60 0.01 1 306 . 37 GLN N N 122.84 0.01 9 307 . 38 PRO HA H 4.74 0.01 1 308 . 38 PRO HB2 H 1.81 0.01 2 309 . 38 PRO HB3 H 2.16 0.01 2 310 . 38 PRO HG2 H 1.62 0.01 1 311 . 38 PRO HG3 H 1.62 0.01 1 312 . 38 PRO HD2 H 3.83 0.01 2 313 . 38 PRO HD3 H 3.22 0.01 2 314 . 38 PRO CA C 61.27 0.01 1 315 . 39 PRO HA H 4.37 0.01 1 316 . 39 PRO HB2 H 1.83 0.01 2 317 . 39 PRO HB3 H 2.31 0.01 2 318 . 39 PRO HG2 H 2.01 0.01 1 319 . 39 PRO HG3 H 2.01 0.01 1 320 . 39 PRO HD2 H 3.76 0.01 2 321 . 39 PRO HD3 H 3.53 0.01 2 322 . 39 PRO C C 176.60 0.01 1 323 . 39 PRO CA C 62.82 0.01 9 324 . 40 LYS H H 8.39 0.01 9 325 . 40 LYS HA H 4.09 0.01 1 326 . 40 LYS HB2 H 1.82 0.01 1 327 . 40 LYS HB3 H 1.82 0.01 1 328 . 40 LYS HG2 H 1.39 0.01 1 329 . 40 LYS HG3 H 1.39 0.01 1 330 . 40 LYS C C 180.40 0.01 1 331 . 40 LYS CA C 56.43 0.01 9 332 . 40 LYS N N 118.22 0.01 9 333 . 41 ALA H H 7.90 0.01 1 334 . 41 ALA HA H 3.97 0.01 1 335 . 41 ALA C C 176.42 0.01 1 336 . 41 ALA CA C 53.45 0.01 9 337 . 41 ALA N N 123.68 0.01 1 338 . 42 ASP H H 8.12 0.01 9 339 . 42 ASP HA H 4.69 0.01 1 340 . 42 ASP HB2 H 2.56 0.01 2 341 . 42 ASP HB3 H 2.78 0.01 2 342 . 42 ASP C C 176.27 0.01 9 343 . 42 ASP CA C 53.80 0.01 1 344 . 42 ASP N N 115.45 0.01 9 345 . 43 GLU H H 7.88 0.01 9 346 . 43 GLU HA H 4.30 0.01 1 347 . 43 GLU HB2 H 1.90 0.01 2 348 . 43 GLU HB3 H 2.14 0.01 2 349 . 43 GLU HG2 H 2.21 0.01 1 350 . 43 GLU HG3 H 2.21 0.01 1 351 . 43 GLU C C 175.77 0.01 9 352 . 43 GLU CA C 55.67 0.01 1 353 . 43 GLU N N 119.27 0.01 9 354 . 44 ASP H H 8.53 0.01 9 355 . 44 ASP HA H 4.65 0.01 1 356 . 44 ASP HB2 H 2.61 0.01 2 357 . 44 ASP HB3 H 2.90 0.01 2 358 . 44 ASP CA C 52.86 0.01 9 359 . 44 ASP N N 118.78 0.01 9 360 . 45 PRO HA H 4.32 0.01 1 361 . 45 PRO HB2 H 1.94 0.01 2 362 . 45 PRO HB3 H 2.23 0.01 2 363 . 45 PRO HG2 H 2.40 0.01 1 364 . 45 PRO HG3 H 2.40 0.01 1 365 . 45 PRO HD2 H 3.83 0.01 1 366 . 45 PRO HD3 H 3.83 0.01 1 367 . 45 PRO C C 177.08 0.01 1 368 . 45 PRO CA C 64.30 0.01 1 369 . 46 GLY H H 8.68 0.01 1 370 . 46 GLY HA2 H 4.20 0.01 2 371 . 46 GLY HA3 H 3.78 0.01 2 372 . 46 GLY C C 174.51 0.01 1 373 . 46 GLY CA C 45.25 0.01 1 374 . 46 GLY N N 106.70 0.01 1 375 . 47 THR H H 7.57 0.01 1 376 . 47 THR HA H 4.69 0.01 1 377 . 47 THR HB H 4.17 0.01 1 378 . 47 THR HG2 H 1.30 0.01 1 379 . 47 THR CA C 59.30 0.01 1 380 . 47 THR N N 115.84 0.01 1 381 . 48 PRO HA H 4.56 0.01 1 382 . 48 PRO HB2 H 1.80 0.01 2 383 . 48 PRO HB3 H 2.22 0.01 2 384 . 48 PRO HG2 H 1.93 0.01 2 385 . 48 PRO HG3 H 2.11 0.01 2 386 . 48 PRO HD2 H 4.04 0.01 2 387 . 48 PRO HD3 H 3.72 0.01 2 388 . 48 PRO C C 176.36 0.01 9 389 . 48 PRO CA C 63.18 0.01 1 390 . 49 LYS H H 9.22 0.01 9 391 . 49 LYS HA H 5.05 0.01 9 392 . 49 LYS HB2 H 2.30 0.01 1 393 . 49 LYS HB3 H 2.30 0.01 1 394 . 49 LYS HG2 H 1.67 0.01 1 395 . 49 LYS HG3 H 1.67 0.01 1 396 . 49 LYS HD2 H 1.85 0.01 1 397 . 49 LYS HD3 H 1.85 0.01 1 398 . 49 LYS CA C 52.10 0.01 9 399 . 49 LYS N N 122.61 0.01 9 400 . 50 PRO HA H 4.97 0.01 1 401 . 50 PRO HB2 H 2.25 0.01 2 402 . 50 PRO HB3 H 2.41 0.01 2 403 . 50 PRO HG2 H 2.14 0.01 2 404 . 50 PRO HG3 H 2.19 0.01 2 405 . 50 PRO HD2 H 3.94 0.01 2 406 . 50 PRO HD3 H 3.79 0.01 2 407 . 50 PRO C C 176.12 0.01 1 408 . 50 PRO CA C 62.42 0.01 1 409 . 51 VAL H H 8.62 0.01 1 410 . 51 VAL HA H 4.72 0.01 1 411 . 51 VAL HG1 H 0.83 0.01 1 412 . 51 VAL HG2 H 0.80 0.01 1 413 . 51 VAL C C 174.14 0.01 1 414 . 51 VAL CA C 59.54 0.01 1 415 . 51 VAL N N 116.89 0.01 1 416 . 52 SER H H 8.58 0.01 1 417 . 52 SER HA H 5.30 0.01 1 418 . 52 SER HB2 H 3.83 0.01 1 419 . 52 SER HB3 H 3.83 0.01 1 420 . 52 SER C C 172.88 0.01 1 421 . 52 SER CA C 56.98 0.01 1 422 . 52 SER N N 118.50 0.01 1 423 . 53 PHE H H 8.66 0.01 1 424 . 53 PHE HA H 5.45 0.01 1 425 . 53 PHE HB2 H 3.32 0.01 1 426 . 53 PHE HB3 H 3.32 0.01 1 427 . 53 PHE HD1 H 6.71 0.01 1 428 . 53 PHE HD2 H 6.71 0.01 1 429 . 53 PHE HE1 H 6.82 0.01 1 430 . 53 PHE HE2 H 6.82 0.01 1 431 . 53 PHE HZ H 6.75 0.01 1 432 . 53 PHE C C 172.86 0.01 1 433 . 53 PHE CA C 55.62 0.01 1 434 . 53 PHE N N 120.77 0.01 1 435 . 54 THR H H 9.18 0.01 1 436 . 54 THR HA H 5.65 0.01 1 437 . 54 THR HB H 4.14 0.01 1 438 . 54 THR HG2 H 1.19 0.01 1 439 . 54 THR C C 175.97 0.01 1 440 . 54 THR CA C 58.40 0.01 1 441 . 54 THR N N 110.71 0.01 1 442 . 55 VAL H H 9.01 0.01 1 443 . 55 VAL HA H 5.36 0.01 1 444 . 55 VAL HB H 2.18 0.01 1 445 . 55 VAL HG1 H 1.09 0.01 2 446 . 55 VAL HG2 H 0.80 0.01 2 447 . 55 VAL C C 173.63 0.01 1 448 . 55 VAL CA C 58.12 0.01 1 449 . 55 VAL N N 113.27 0.01 1 450 . 56 LYS H H 9.28 0.01 1 451 . 56 LYS HA H 5.74 0.01 1 452 . 56 LYS HB2 H 1.83 0.01 2 453 . 56 LYS HB3 H 1.60 0.01 2 454 . 56 LYS HG2 H 1.38 0.01 1 455 . 56 LYS HG3 H 1.38 0.01 1 456 . 56 LYS HD2 H 1.24 0.01 2 457 . 56 LYS HD3 H 1.03 0.01 2 458 . 56 LYS HE2 H 2.81 0.01 2 459 . 56 LYS HE3 H 3.05 0.01 2 460 . 56 LYS C C 173.93 0.01 1 461 . 56 LYS CA C 54.12 0.01 1 462 . 56 LYS N N 120.92 0.01 1 463 . 57 GLU H H 8.47 0.01 1 464 . 57 GLU HA H 2.72 0.01 1 465 . 57 GLU HB2 H 1.80 0.01 1 466 . 57 GLU HB3 H 1.80 0.01 1 467 . 57 GLU HG2 H 1.92 0.01 2 468 . 57 GLU HG3 H 2.11 0.01 2 469 . 57 GLU C C 175.50 0.01 1 470 . 57 GLU CA C 57.50 0.01 1 471 . 57 GLU N N 129.38 0.01 1 472 . 58 THR H H 7.95 0.01 1 473 . 58 THR HA H 5.23 0.01 1 474 . 58 THR HB H 4.14 0.01 1 475 . 58 THR HG2 H 0.95 0.01 1 476 . 58 THR C C 174.31 0.01 1 477 . 58 THR CA C 60.35 0.01 1 478 . 58 THR N N 114.21 0.01 1 479 . 59 VAL H H 8.00 0.01 1 480 . 59 VAL HA H 4.11 0.01 1 481 . 59 VAL HB H 2.51 0.01 1 482 . 59 VAL HG1 H 0.99 0.01 2 483 . 59 VAL HG2 H 0.88 0.01 2 484 . 59 VAL C C 177.54 0.01 1 485 . 59 VAL CA C 61.08 0.01 1 486 . 59 VAL N N 105.60 0.01 1 487 . 60 CYS H H 8.20 0.01 1 488 . 60 CYS HA H 4.50 0.01 1 489 . 60 CYS HB2 H 2.86 0.01 1 490 . 60 CYS HB3 H 3.57 0.01 1 491 . 60 CYS CA C 52.59 0.01 1 492 . 60 CYS N N 122.06 0.01 1 493 . 61 PRO HA H 4.96 0.01 1 494 . 61 PRO HB2 H 1.88 0.01 2 495 . 61 PRO HB3 H 2.28 0.01 2 496 . 61 PRO HG2 H 1.98 0.01 2 497 . 61 PRO HG3 H 2.15 0.01 2 498 . 61 PRO HD2 H 4.06 0.01 2 499 . 61 PRO HD3 H 3.70 0.01 2 500 . 61 PRO C C 174.90 0.01 1 501 . 61 PRO CA C 61.88 0.01 1 502 . 62 ARG H H 8.05 0.01 1 503 . 62 ARG HA H 4.42 0.01 1 504 . 62 ARG HB2 H 1.68 0.01 2 505 . 62 ARG HB3 H 1.40 0.01 2 506 . 62 ARG HG2 H 1.33 0.01 1 507 . 62 ARG HG3 H 1.33 0.01 1 508 . 62 ARG HD2 H 3.20 0.01 2 509 . 62 ARG HD3 H 3.28 0.01 2 510 . 62 ARG CA C 52.80 0.01 1 511 . 62 ARG N N 118.08 0.01 1 512 . 63 PRO HA H 4.68 0.01 1 513 . 63 PRO HB2 H 2.08 0.01 2 514 . 63 PRO HB3 H 2.33 0.01 2 515 . 63 PRO HG2 H 1.90 0.01 2 516 . 63 PRO HG3 H 1.94 0.01 2 517 . 63 PRO HD2 H 3.60 0.01 2 518 . 63 PRO HD3 H 3.48 0.01 2 519 . 63 PRO C C 175.49 0.01 1 520 . 63 PRO CA C 62.05 0.01 1 521 . 64 THR H H 8.48 0.01 1 522 . 64 THR HA H 4.57 0.01 1 523 . 64 THR HB H 4.40 0.01 1 524 . 64 THR HG2 H 1.18 0.01 1 525 . 64 THR C C 174.92 0.01 1 526 . 64 THR CA C 60.82 0.01 1 527 . 64 THR N N 114.68 0.01 1 528 . 65 ARG H H 8.53 0.01 1 529 . 65 ARG HA H 4.46 0.01 1 530 . 65 ARG HB2 H 2.01 0.01 1 531 . 65 ARG HB3 H 2.01 0.01 1 532 . 65 ARG HG2 H 1.68 0.01 1 533 . 65 ARG HG3 H 1.68 0.01 1 534 . 65 ARG HD2 H 3.20 0.01 1 535 . 65 ARG HD3 H 3.20 0.01 1 536 . 65 ARG C C 176.39 0.01 1 537 . 65 ARG CA C 55.32 0.01 1 538 . 65 ARG N N 124.70 0.01 1 539 . 66 GLN H H 8.26 0.01 1 540 . 66 GLN HA H 4.54 0.01 1 541 . 66 GLN HB2 H 1.88 0.01 1 542 . 66 GLN HB3 H 1.88 0.01 1 543 . 66 GLN HG2 H 2.04 0.01 2 544 . 66 GLN HG3 H 2.21 0.01 2 545 . 66 GLN CA C 53.91 0.01 1 546 . 66 GLN N N 123.40 0.01 1 547 . 67 PRO HA H 4.65 0.01 1 548 . 67 PRO HB2 H 1.82 0.01 2 549 . 67 PRO HB3 H 2.37 0.01 2 550 . 67 PRO HG2 H 2.00 0.01 2 551 . 67 PRO HG3 H 2.10 0.01 2 552 . 67 PRO HD2 H 3.83 0.01 2 553 . 67 PRO HD3 H 4.39 0.01 2 554 . 67 PRO CA C 60.73 0.01 1 555 . 68 PRO HA H 3.85 0.01 1 556 . 68 PRO HB2 H 2.01 0.01 2 557 . 68 PRO HB3 H 2.25 0.01 2 558 . 68 PRO HG2 H 2.01 0.01 1 559 . 68 PRO HG3 H 2.01 0.01 1 560 . 68 PRO HD2 H 4.00 0.01 2 561 . 68 PRO HD3 H 3.88 0.01 2 562 . 68 PRO C C 177.80 0.01 1 563 . 68 PRO CA C 65.30 0.01 1 564 . 69 GLU H H 8.36 0.01 1 565 . 69 GLU HA H 3.81 0.01 1 566 . 69 GLU HB2 H 1.90 0.01 2 567 . 69 GLU HB3 H 2.01 0.01 2 568 . 69 GLU HG2 H 2.21 0.01 1 569 . 69 GLU HG3 H 2.21 0.01 1 570 . 69 GLU C C 176.52 0.01 1 571 . 69 GLU CA C 58.02 0.01 1 572 . 69 GLU N N 111.96 0.01 1 573 . 70 LEU H H 7.72 0.01 1 574 . 70 LEU HA H 4.36 0.01 1 575 . 70 LEU HB2 H 1.70 0.01 1 576 . 70 LEU HB3 H 1.70 0.01 1 577 . 70 LEU HG H 1.53 0.01 1 578 . 70 LEU HD1 H 0.80 0.01 2 579 . 70 LEU HD2 H 0.78 0.01 2 580 . 70 LEU C C 176.75 0.01 1 581 . 70 LEU CA C 53.92 0.01 1 582 . 70 LEU N N 117.22 0.01 1 583 . 71 CYS H H 7.72 0.01 1 584 . 71 CYS HA H 4.51 0.01 1 585 . 71 CYS HB2 H 3.53 0.01 1 586 . 71 CYS HB3 H 2.55 0.01 1 587 . 71 CYS C C 172.91 0.01 1 588 . 71 CYS CA C 55.80 0.01 1 589 . 71 CYS N N 121.18 0.01 1 590 . 72 ASP H H 8.43 0.01 1 591 . 72 ASP HA H 4.16 0.01 1 592 . 72 ASP HB2 H 2.41 0.01 2 593 . 72 ASP HB3 H 2.61 0.01 2 594 . 72 ASP C C 176.19 0.01 1 595 . 72 ASP CA C 54.12 0.01 1 596 . 72 ASP N N 123.72 0.01 1 597 . 73 PHE H H 8.15 0.01 1 598 . 73 PHE HA H 4.33 0.01 1 599 . 73 PHE HB2 H 2.75 0.01 2 600 . 73 PHE HB3 H 2.80 0.01 2 601 . 73 PHE HD1 H 7.16 0.01 1 602 . 73 PHE HD2 H 7.16 0.01 1 603 . 73 PHE HE1 H 7.31 0.01 1 604 . 73 PHE HE2 H 7.31 0.01 1 605 . 73 PHE HZ H 7.51 0.01 1 606 . 73 PHE C C 176.37 0.01 9 607 . 73 PHE CA C 59.48 0.01 1 608 . 73 PHE N N 117.57 0.01 1 609 . 74 LYS H H 9.02 0.01 1 610 . 74 LYS HA H 4.04 0.01 1 611 . 74 LYS HB2 H 1.35 0.01 2 612 . 74 LYS HB3 H 1.15 0.01 2 613 . 74 LYS HG2 H 1.27 0.01 2 614 . 74 LYS HG3 H 1.23 0.01 2 615 . 74 LYS HD2 H 1.42 0.01 2 616 . 74 LYS HD3 H 1.34 0.01 2 617 . 74 LYS HE2 H 2.87 0.01 1 618 . 74 LYS HE3 H 2.87 0.01 1 619 . 74 LYS C C 177.48 0.01 1 620 . 74 LYS CA C 55.69 0.01 1 621 . 74 LYS N N 124.41 0.01 1 622 . 75 GLU H H 8.99 0.01 1 623 . 75 GLU HA H 4.01 0.01 1 624 . 75 GLU HB2 H 1.90 0.01 2 625 . 75 GLU HB3 H 2.00 0.01 2 626 . 75 GLU HG2 H 2.25 0.01 1 627 . 75 GLU HG3 H 2.25 0.01 1 628 . 75 GLU C C 177.60 0.01 1 629 . 75 GLU CA C 58.40 0.01 1 630 . 75 GLU N N 130.39 0.01 1 631 . 76 ASN H H 8.93 0.01 1 632 . 76 ASN HA H 4.62 0.01 1 633 . 76 ASN HB2 H 2.96 0.01 2 634 . 76 ASN HB3 H 2.89 0.01 2 635 . 76 ASN HD21 H 7.61 0.01 2 636 . 76 ASN HD22 H 6.92 0.01 2 637 . 76 ASN C C 175.72 0.01 1 638 . 76 ASN CA C 53.50 0.01 1 639 . 76 ASN N N 119.40 0.01 1 640 . 77 GLY H H 7.85 0.01 1 641 . 77 GLY HA2 H 3.94 0.01 2 642 . 77 GLY HA3 H 3.45 0.01 2 643 . 77 GLY C C 172.33 0.01 1 644 . 77 GLY CA C 45.54 0.01 1 645 . 77 GLY N N 104.62 0.01 1 646 . 78 ARG H H 8.93 0.01 1 647 . 78 ARG HA H 4.24 0.01 1 648 . 78 ARG HB2 H 1.90 0.01 2 649 . 78 ARG HB3 H 2.40 0.01 2 650 . 78 ARG HG2 H 1.81 0.01 1 651 . 78 ARG HG3 H 1.81 0.01 1 652 . 78 ARG HD2 H 3.30 0.01 1 653 . 78 ARG HD3 H 3.30 0.01 1 654 . 78 ARG C C 175.30 0.01 1 655 . 78 ARG CA C 57.35 0.01 1 656 . 78 ARG N N 123.53 0.01 1 657 . 79 VAL H H 8.67 0.01 1 658 . 79 VAL HA H 5.19 0.01 1 659 . 79 VAL HB H 1.89 0.01 1 660 . 79 VAL HG1 H 0.97 0.01 2 661 . 79 VAL HG2 H 0.93 0.01 2 662 . 79 VAL C C 176.09 0.01 9 663 . 79 VAL CA C 60.63 0.01 1 664 . 79 VAL N N 120.61 0.01 1 665 . 80 LYS H H 8.89 0.01 1 666 . 80 LYS HA H 5.12 0.01 1 667 . 80 LYS HB2 H 1.37 0.01 2 668 . 80 LYS HB3 H 1.27 0.01 2 669 . 80 LYS HG2 H 1.03 0.01 1 670 . 80 LYS HG3 H 1.03 0.01 1 671 . 80 LYS HD2 H 1.09 0.01 1 672 . 80 LYS HD3 H 1.09 0.01 1 673 . 80 LYS C C 174.05 0.01 1 674 . 80 LYS CA C 53.70 0.01 1 675 . 80 LYS N N 120.83 0.01 1 676 . 81 GLN H H 8.81 0.01 1 677 . 81 GLN HA H 4.74 0.01 1 678 . 81 GLN HB2 H 2.06 0.01 2 679 . 81 GLN HB3 H 1.88 0.01 2 680 . 81 GLN HG2 H 2.18 0.01 1 681 . 81 GLN HG3 H 2.18 0.01 1 682 . 81 GLN HE21 H 7.02 0.01 2 683 . 81 GLN HE22 H 6.80 0.01 2 684 . 81 GLN C C 175.28 0.01 1 685 . 81 GLN CA C 54.28 0.01 1 686 . 81 GLN N N 121.14 0.01 1 687 . 82 CYS H H 9.38 0.01 1 688 . 82 CYS HA H 5.44 0.01 1 689 . 82 CYS HB2 H 1.84 0.01 1 690 . 82 CYS HB3 H 1.02 0.01 1 691 . 82 CYS C C 172.76 0.01 1 692 . 82 CYS CA C 54.60 0.01 1 693 . 82 CYS N N 126.96 0.01 1 694 . 83 VAL H H 8.53 0.01 1 695 . 83 VAL HA H 5.07 0.01 1 696 . 83 VAL HB H 2.13 0.01 1 697 . 83 VAL HG1 H 0.98 0.01 2 698 . 83 VAL HG2 H 0.92 0.01 2 699 . 83 VAL C C 175.11 0.01 1 700 . 83 VAL CA C 59.31 0.01 1 701 . 83 VAL N N 117.02 0.01 1 702 . 84 GLY H H 8.02 0.01 1 703 . 84 GLY HA2 H 5.01 0.01 2 704 . 84 GLY HA3 H 4.38 0.01 2 705 . 84 GLY C C 173.06 0.01 1 706 . 84 GLY CA C 45.43 0.01 1 707 . 84 GLY N N 110.46 0.01 1 708 . 85 THR H H 8.93 0.01 1 709 . 85 THR HA H 5.48 0.01 1 710 . 85 THR HB H 3.90 0.01 1 711 . 85 THR HG2 H 1.10 0.01 1 712 . 85 THR C C 173.15 0.01 1 713 . 85 THR CA C 60.23 0.01 1 714 . 85 THR N N 118.03 0.01 1 715 . 86 VAL H H 8.85 0.01 1 716 . 86 VAL HA H 4.85 0.01 1 717 . 86 VAL HB H 2.00 0.01 1 718 . 86 VAL HG1 H 0.77 0.01 2 719 . 86 VAL HG2 H 0.70 0.01 2 720 . 86 VAL CA C 59.14 0.01 1 721 . 86 VAL N N 113.14 0.01 1 722 . 87 THR H H 8.33 0.01 1 723 . 87 THR HA H 4.72 0.01 1 724 . 87 THR HB H 4.18 0.01 1 725 . 87 THR HG2 H 1.14 0.01 1 726 . 87 THR C C 176.85 0.01 1 727 . 87 THR CA C 60.17 0.01 1 728 . 87 THR N N 115.30 0.01 1 729 . 88 LEU H H 8.69 0.01 1 730 . 88 LEU HA H 4.21 0.01 1 731 . 88 LEU HB2 H 2.13 0.01 2 732 . 88 LEU HB3 H 1.68 0.01 2 733 . 88 LEU HG H 1.68 0.01 1 734 . 88 LEU HD1 H 0.65 0.01 1 735 . 88 LEU HD2 H 0.65 0.01 1 736 . 88 LEU C C 176.96 0.01 1 737 . 88 LEU CA C 55.78 0.01 1 738 . 88 LEU N N 120.61 0.01 1 739 . 89 ASP H H 7.94 0.01 1 740 . 89 ASP HA H 4.60 0.01 1 741 . 89 ASP HB2 H 2.50 0.01 2 742 . 89 ASP HB3 H 2.70 0.01 2 743 . 89 ASP C C 176.14 0.01 1 744 . 89 ASP CA C 53.59 0.01 1 745 . 89 ASP N N 116.65 0.01 1 746 . 90 GLN H H 8.01 0.01 1 747 . 90 GLN HA H 4.27 0.01 1 748 . 90 GLN HB2 H 1.99 0.01 2 749 . 90 GLN HB3 H 2.11 0.01 2 750 . 90 GLN HG2 H 2.31 0.01 1 751 . 90 GLN HG3 H 2.31 0.01 1 752 . 90 GLN C C 175.74 0.01 1 753 . 90 GLN CA C 55.67 0.01 1 754 . 90 GLN N N 119.26 0.01 1 755 . 91 ILE H H 8.06 0.01 1 756 . 91 ILE HA H 4.06 0.01 1 757 . 91 ILE HB H 1.91 0.01 1 758 . 91 ILE HG12 H 1.18 0.01 2 759 . 91 ILE HG13 H 1.40 0.01 2 760 . 91 ILE HG2 H 0.84 0.01 1 761 . 91 ILE HD1 H 0.87 0.01 1 762 . 91 ILE C C 176.27 0.01 1 763 . 91 ILE CA C 61.86 0.01 1 764 . 91 ILE N N 119.06 0.01 1 765 . 92 LYS H H 8.09 0.01 1 766 . 92 LYS HA H 4.31 0.01 1 767 . 92 LYS HB2 H 1.72 0.01 1 768 . 92 LYS HB3 H 1.72 0.01 1 769 . 92 LYS HG2 H 1.35 0.01 2 770 . 92 LYS HG3 H 1.42 0.01 2 771 . 92 LYS HD2 H 1.66 0.01 1 772 . 92 LYS HD3 H 1.66 0.01 1 773 . 92 LYS HE2 H 2.98 0.01 1 774 . 92 LYS HE3 H 2.98 0.01 1 775 . 92 LYS C C 175.72 0.01 1 776 . 92 LYS CA C 55.90 0.01 1 777 . 92 LYS N N 121.60 0.01 1 778 . 93 ASP H H 8.09 0.01 1 779 . 93 ASP HA H 4.80 0.01 1 780 . 93 ASP HB2 H 2.51 0.01 2 781 . 93 ASP HB3 H 2.64 0.01 2 782 . 93 ASP CA C 52.84 0.01 1 783 . 93 ASP N N 121.11 0.01 1 784 . 94 PRO HA H 4.45 0.01 1 785 . 94 PRO HB2 H 1.85 0.01 2 786 . 94 PRO HB3 H 2.27 0.01 2 787 . 94 PRO HG2 H 1.97 0.01 1 788 . 94 PRO HG3 H 1.97 0.01 1 789 . 94 PRO HD2 H 3.80 0.01 2 790 . 94 PRO HD3 H 3.65 0.01 2 791 . 94 PRO C C 176.83 0.01 1 792 . 94 PRO CA C 63.24 0.01 1 793 . 95 LEU H H 8.40 0.01 1 794 . 95 LEU HA H 4.34 0.01 1 795 . 95 LEU HB2 H 1.63 0.01 1 796 . 95 LEU HB3 H 1.63 0.01 1 797 . 95 LEU HG H 1.74 0.01 1 798 . 95 LEU HD1 H 0.94 0.01 2 799 . 95 LEU HD2 H 1.00 0.01 2 800 . 95 LEU C C 176.75 0.01 1 801 . 95 LEU CA C 54.87 0.01 1 802 . 95 LEU N N 121.75 0.01 1 803 . 96 ASP H H 8.76 0.01 9 804 . 96 ASP HA H 4.83 0.01 1 805 . 96 ASP HB2 H 2.48 0.01 2 806 . 96 ASP HB3 H 2.77 0.01 2 807 . 96 ASP C C 174.95 0.01 1 808 . 96 ASP CA C 53.28 0.01 1 809 . 96 ASP N N 124.31 0.01 1 810 . 97 ILE H H 7.57 0.01 1 811 . 97 ILE HA H 4.72 0.01 1 812 . 97 ILE HB H 1.64 0.01 1 813 . 97 ILE HG12 H 1.08 0.01 1 814 . 97 ILE HG13 H 1.08 0.01 1 815 . 97 ILE HG2 H 0.73 0.01 1 816 . 97 ILE HD1 H 0.80 0.01 1 817 . 97 ILE C C 175.27 0.01 1 818 . 97 ILE CA C 59.42 0.01 1 819 . 97 ILE N N 117.91 0.01 1 820 . 98 THR H H 8.55 0.01 1 821 . 98 THR HA H 4.52 0.01 1 822 . 98 THR HB H 4.00 0.01 1 823 . 98 THR HG2 H 1.19 0.01 1 824 . 98 THR C C 173.76 0.01 1 825 . 98 THR CA C 60.92 0.01 1 826 . 98 THR N N 119.91 0.01 1 827 . 99 CYS H H 8.85 0.01 1 828 . 99 CYS HA H 5.69 0.01 1 829 . 99 CYS HB2 H 2.94 0.01 1 830 . 99 CYS HB3 H 2.32 0.01 1 831 . 99 CYS C C 173.15 0.01 1 832 . 99 CYS CA C 54.62 0.01 1 833 . 99 CYS N N 122.45 0.01 1 834 . 100 ASN H H 8.82 0.01 1 835 . 100 ASN HA H 5.01 0.01 1 836 . 100 ASN HB2 H 2.69 0.01 2 837 . 100 ASN HB3 H 2.64 0.01 2 838 . 100 ASN HD21 H 7.58 0.01 2 839 . 100 ASN HD22 H 6.87 0.01 2 840 . 100 ASN C C 174.00 0.01 1 841 . 100 ASN CA C 51.92 0.01 1 842 . 100 ASN N N 119.52 0.01 1 843 . 101 GLU H H 8.96 0.01 1 844 . 101 GLU HA H 4.48 0.01 1 845 . 101 GLU HB2 H 2.29 0.01 2 846 . 101 GLU HB3 H 2.04 0.01 2 847 . 101 GLU HG2 H 2.44 0.01 1 848 . 101 GLU HG3 H 2.44 0.01 1 849 . 101 GLU C C 176.08 0.01 1 850 . 101 GLU CA C 57.35 0.01 1 851 . 101 GLU N N 123.58 0.01 1 852 . 102 VAL H H 8.50 0.01 1 853 . 102 VAL HA H 4.27 0.01 1 854 . 102 VAL HB H 2.02 0.01 1 855 . 102 VAL HG1 H 0.91 0.01 2 856 . 102 VAL HG2 H 0.86 0.01 2 857 . 102 VAL C C 175.53 0.01 1 858 . 102 VAL CA C 61.46 0.01 1 859 . 102 VAL N N 123.65 0.01 1 860 . 103 GLN H H 8.54 0.01 1 861 . 103 GLN HA H 4.46 0.01 1 862 . 103 GLN HB2 H 2.04 0.01 1 863 . 103 GLN HB3 H 2.04 0.01 1 864 . 103 GLN HG2 H 2.15 0.01 2 865 . 103 GLN HG3 H 2.43 0.01 2 866 . 103 GLN HE21 H 7.58 0.01 2 867 . 103 GLN HE22 H 6.84 0.01 2 868 . 103 GLN C C 176.34 0.01 1 869 . 103 GLN CA C 55.59 0.01 1 870 . 103 GLN N N 123.92 0.01 1 871 . 104 GLY H H 8.50 0.01 1 872 . 104 GLY HA2 H 4.00 0.01 2 873 . 104 GLY HA3 H 3.90 0.01 2 874 . 104 GLY C C 173.21 0.01 1 875 . 104 GLY CA C 45.30 0.01 1 876 . 104 GLY N N 110.47 0.01 1 877 . 105 VAL H H 7.55 0.01 1 878 . 105 VAL HA H 4.08 0.01 1 879 . 105 VAL HG1 H 0.89 0.01 2 880 . 105 VAL HG2 H 0.84 0.01 2 881 . 105 VAL CA C 63.06 0.01 1 882 . 105 VAL N N 122.12 0.01 1 stop_ save_