data_15757 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignment for eosinophil cationic protein ; _BMRB_accession_number 15757 _BMRB_flat_file_name bmr15757.str _Entry_type original _Submission_date 2008-05-06 _Accession_date 2008-05-06 _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 Rico Manuel . . 2 Bruix Marta . . 3 Laurents Douglas V. . 4 Santoro Jorge . . 5 Jimenez 'M. Angeles' . . 6 Boix Ester . . 7 Moussaoui Mohammed . . 8 Nogues 'M. Victoria' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 831 "13C chemical shifts" 527 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-11 update BMRB 'complete entry citation' 2009-05-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The (1)H, (13)C, (15)N resonance assignment, solution structure, and residue level stability of eosinophil cationic protein/RNase 3 determined by NMR spectroscopy. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19189375 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Laurents Douglas V. . 2 Bruix Marta . . 3 Jimenez 'M Angeles' . . 4 Santoro Jorge . . 5 Boix Ester . . 6 Moussaoui Mohammed . . 7 Nogues 'Maria Victoria' . . 8 Rico Manuel . . stop_ _Journal_abbreviation Biopolymers _Journal_name_full Biopolymers _Journal_volume 91 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1018 _Page_last 1028 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ECP monomer' $ECP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ECP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ECP _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function bactericidal cytotoxic helminthotoxic 'Human Ribonuclease' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; MRPPQFTRAQWFAIQHISLN PPRCTIAMRAINNYRWRCKN QNTFLRTTFANVVNVCGNQS IRCPHNRTLNNCHRSRFRVP LLHCDLINPGAQNISNCRYA DRPGRRFYVVACDNRDPRDS PRYPVVPVHLDTTI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ARG 3 2 PRO 4 3 PRO 5 4 GLN 6 5 PHE 7 6 THR 8 7 ARG 9 8 ALA 10 9 GLN 11 10 TRP 12 11 PHE 13 12 ALA 14 13 ILE 15 14 GLN 16 15 HIS 17 16 ILE 18 17 SER 19 18 LEU 20 19 ASN 21 20 PRO 22 21 PRO 23 22 ARG 24 23 CYS 25 24 THR 26 25 ILE 27 26 ALA 28 27 MET 29 28 ARG 30 29 ALA 31 30 ILE 32 31 ASN 33 32 ASN 34 33 TYR 35 34 ARG 36 35 TRP 37 36 ARG 38 37 CYS 39 38 LYS 40 39 ASN 41 40 GLN 42 41 ASN 43 42 THR 44 43 PHE 45 44 LEU 46 45 ARG 47 46 THR 48 47 THR 49 48 PHE 50 49 ALA 51 50 ASN 52 51 VAL 53 52 VAL 54 53 ASN 55 54 VAL 56 55 CYS 57 56 GLY 58 57 ASN 59 58 GLN 60 59 SER 61 60 ILE 62 61 ARG 63 62 CYS 64 63 PRO 65 64 HIS 66 65 ASN 67 66 ARG 68 67 THR 69 68 LEU 70 69 ASN 71 70 ASN 72 71 CYS 73 72 HIS 74 73 ARG 75 74 SER 76 75 ARG 77 76 PHE 78 77 ARG 79 78 VAL 80 79 PRO 81 80 LEU 82 81 LEU 83 82 HIS 84 83 CYS 85 84 ASP 86 85 LEU 87 86 ILE 88 87 ASN 89 88 PRO 90 89 GLY 91 90 ALA 92 91 GLN 93 92 ASN 94 93 ILE 95 94 SER 96 95 ASN 97 96 CYS 98 97 ARG 99 98 TYR 100 99 ALA 101 100 ASP 102 101 ARG 103 102 PRO 104 103 GLY 105 104 ARG 106 105 ARG 107 106 PHE 108 107 TYR 109 108 VAL 110 109 VAL 111 110 ALA 112 111 CYS 113 112 ASP 114 113 ASN 115 114 ARG 116 115 ASP 117 116 PRO 118 117 ARG 119 118 ASP 120 119 SER 121 120 PRO 122 121 ARG 123 122 TYR 124 123 PRO 125 124 VAL 126 125 VAL 127 126 PRO 128 127 VAL 129 128 HIS 130 129 LEU 131 130 ASP 132 131 THR 133 132 THR 134 133 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18596 Eosinophil_Cationic_Protein 99.25 133 100.00 100.00 3.43e-90 PDB 1DYT "X-Ray Crystal Structure Of Ecp (Rnase 3) At 1.75 A" 99.25 133 100.00 100.00 3.43e-90 PDB 1H1H "Crystal Structure Of Eosinophil Cationic Protein In Complex With 2',5'-Adp At 2.0 A Resolution Reveals The Details Of The Ribon" 100.00 134 100.00 100.00 2.78e-91 PDB 1QMT "Recombinant Human Eosinophil Cationic Protein" 100.00 134 100.00 100.00 2.78e-91 PDB 2KB5 "Solution Nmr Structure Of Eosinophil Cationic ProteinRNASE 3" 99.25 133 100.00 100.00 3.43e-90 PDB 2LVZ "Solution Structure Of A Eosinophil Cationic Protein-trisaccharide Heparin Mimetic Complex" 99.25 133 100.00 100.00 3.43e-90 PDB 4A2O "Structure Of The Human Eosinophil Cationic Protein In Complex With Sulfate Anions" 99.25 133 100.00 100.00 3.43e-90 PDB 4A2Y "Structure Of The Human Eosinophil Cationic Protein In Complex With Citrate Anions" 99.25 133 100.00 100.00 3.43e-90 PDB 4OWZ "Structure Of Ecp/h15a Mutant" 100.00 134 99.25 99.25 3.82e-90 PDB 4OXB "Structure Of Ecp With Sulphate Anions At 1.50 Angstroms" 100.00 134 100.00 100.00 2.78e-91 PDB 4OXF "Structure Of Ecp In Complex With Citrate Ions At 1.50 Angstroms" 100.00 134 100.00 100.00 2.78e-91 EMBL CAA33251 "unnamed protein product [Homo sapiens]" 99.25 160 100.00 100.00 3.69e-91 EMBL CAA34545 "unnamed protein product [Homo sapiens]" 99.25 160 100.00 100.00 3.69e-91 EMBL CAA39462 "eosinophil cationic protein [Homo sapiens]" 99.25 160 100.00 100.00 3.69e-91 GB AAA50283 "eosinophil cationic protein [Homo sapiens]" 99.25 160 100.00 100.00 3.69e-91 GB AAC50143 "eosinophil cationic protein [Gorilla gorilla]" 99.25 160 97.74 98.50 6.88e-89 GB AAC50150 "eosinophil cationic protein [Pan troglodytes]" 99.25 160 97.74 98.50 3.86e-89 GB AAG09050 "eosinophil cationic protein [Pan troglodytes]" 99.25 160 97.74 98.50 2.05e-89 GB AAG09051 "eosinophil cationic protein [Pan troglodytes]" 99.25 160 97.74 98.50 2.05e-89 REF NP_002926 "eosinophil cationic protein precursor [Homo sapiens]" 99.25 160 99.25 99.25 2.24e-90 REF XP_004054906 "PREDICTED: eosinophil cationic protein isoform 1 [Gorilla gorilla gorilla]" 99.25 160 97.74 98.50 6.88e-89 REF XP_004054907 "PREDICTED: eosinophil cationic protein isoform 2 [Gorilla gorilla gorilla]" 99.25 160 97.74 98.50 6.88e-89 SP P12724 "RecName: Full=Eosinophil cationic protein; Short=ECP; AltName: Full=Ribonuclease 3; Short=RNase 3; Flags: Precursor" 99.25 160 99.25 99.25 2.24e-90 SP P47778 "RecName: Full=Eosinophil cationic protein; Short=ECP; AltName: Full=Ribonuclease 3; Short=RNase 3; Flags: Precursor" 99.25 160 97.74 98.50 6.88e-89 SP P47780 "RecName: Full=Eosinophil cationic protein; Short=ECP; AltName: Full=Ribonuclease 3; Short=RNase 3; Flags: Precursor" 99.25 160 97.74 98.50 2.05e-89 TPE CDG31917 "TPA: ribonuclease A F1 [Homo sapiens]" 99.25 160 100.00 100.00 3.69e-91 TPE CDG31938 "TPA: ribonuclease A F1 [Gorilla gorilla]" 99.25 160 97.74 98.50 6.88e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ECP Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $ECP 'recombinant technology' . Escherichia coli BL21 DE3 pET11c stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ECP 1 mM '[U-95% 15N]' 'potassium phosphate' 50 mM 'natural abundance' DSS traces mM 'natural abundance' 'potassium chloride' <1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ECP 1 mM '[U-95% 15N]' DSS traces mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' <10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ECP 1 mM '[U-95% 13C; U-95% 15N]' DSS traces mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' <10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCC-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCC-TOCSY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' <0.1 . M pH 4.0 0.2 pH pressure 1 . atm temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H COSY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-15N HSQC' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HCCC-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ECP monomer' _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 0 1 MET HA H 4.18 0.05 1 2 0 1 MET HB2 H 2.20 0.05 2 3 0 1 MET HB3 H 2.20 0.05 2 4 0 1 MET HG2 H 2.60 0.05 1 5 0 1 MET HG3 H 2.60 0.05 1 6 0 1 MET CA C 55.0 0.5 1 7 0 1 MET CB C 32.8 0.5 1 8 0 1 MET CG C 30.7 0.5 1 9 1 2 ARG H H 8.54 0.05 1 10 1 2 ARG HA H 3.90 0.05 1 11 1 2 ARG HB2 H 1.55 0.05 2 12 1 2 ARG HB3 H 1.25 0.05 2 13 1 2 ARG HD2 H 3.05 0.05 1 14 1 2 ARG HD3 H 3.05 0.05 1 15 1 2 ARG HE H 7.44 0.05 1 16 1 2 ARG HG2 H 1.52 0.05 2 17 1 2 ARG HG3 H 0.89 0.05 2 18 1 2 ARG CA C 53.6 0.5 1 19 1 2 ARG CB C 30.6 0.5 1 20 1 2 ARG CD C 43.0 0.5 1 21 1 2 ARG CG C 26.0 0.5 1 22 1 2 ARG N N 126.3 0.5 1 23 1 2 ARG NE N 83.1 0.5 1 24 2 3 PRO HA H 4.56 0.05 1 25 2 3 PRO HB2 H 2.21 0.05 2 26 2 3 PRO HB3 H 2.01 0.05 2 27 2 3 PRO HD2 H 3.50 0.05 2 28 2 3 PRO HD3 H 3.15 0.05 2 29 2 3 PRO HG2 H 1.96 0.05 2 30 2 3 PRO HG3 H 1.44 0.05 2 31 2 3 PRO CA C 61.6 0.5 1 32 2 3 PRO CB C 32.1 0.5 1 33 2 3 PRO CD C 49.1 0.5 1 34 2 3 PRO CG C 26.0 0.5 1 35 3 4 PRO HA H 4.21 0.05 1 36 3 4 PRO HB2 H 2.20 0.05 2 37 3 4 PRO HB3 H 1.77 0.05 2 38 3 4 PRO HD2 H 3.78 0.05 1 39 3 4 PRO HD3 H 3.69 0.05 1 40 3 4 PRO HG2 H 1.97 0.05 2 41 3 4 PRO HG3 H 1.93 0.05 2 42 3 4 PRO C C 177.1 0.5 1 43 3 4 PRO CA C 63.6 0.5 1 44 3 4 PRO CB C 31.5 0.5 1 45 3 4 PRO CD C 50.6 0.5 1 46 3 4 PRO CG C 27.2 0.5 1 47 4 5 GLN H H 8.91 0.05 1 48 4 5 GLN HA H 4.11 0.05 1 49 4 5 GLN HB2 H 1.79 0.05 2 50 4 5 GLN HB3 H 1.71 0.05 2 51 4 5 GLN HE21 H 7.29 0.05 1 52 4 5 GLN HE22 H 6.89 0.05 1 53 4 5 GLN HG2 H 1.83 0.05 2 54 4 5 GLN HG3 H 1.19 0.05 2 55 4 5 GLN C C 175.0 0.5 1 56 4 5 GLN CA C 56.4 0.5 1 57 4 5 GLN CB C 27.3 0.5 1 58 4 5 GLN CG C 32.1 0.5 1 59 4 5 GLN N N 118.6 0.5 1 60 4 5 GLN NE2 N 112.5 0.5 1 61 5 6 PHE H H 7.62 0.05 1 62 5 6 PHE HA H 5.43 0.05 1 63 5 6 PHE HB2 H 3.50 0.05 2 64 5 6 PHE HB3 H 2.55 0.05 2 65 5 6 PHE HD1 H 6.89 0.05 3 66 5 6 PHE HD2 H 6.89 0.05 3 67 5 6 PHE HE1 H 6.49 0.05 3 68 5 6 PHE HE2 H 6.49 0.05 3 69 5 6 PHE C C 176.7 0.5 1 70 5 6 PHE CA C 55.5 0.5 1 71 5 6 PHE CB C 41.5 0.5 1 72 5 6 PHE N N 120.9 0.5 1 73 6 7 THR H H 8.84 0.05 1 74 6 7 THR HA H 4.53 0.05 1 75 6 7 THR HB H 5.00 0.05 1 76 6 7 THR HG2 H 1.16 0.05 1 77 6 7 THR C C 179.8 0.5 1 78 6 7 THR CA C 60.8 0.5 1 79 6 7 THR CB C 69.2 0.5 1 80 6 7 THR CG2 C 22.3 0.5 1 81 6 7 THR N N 113.8 0.5 1 82 7 8 ARG H H 8.93 0.05 1 83 7 8 ARG HA H 4.18 0.05 1 84 7 8 ARG HB2 H 2.06 0.05 2 85 7 8 ARG HB3 H 1.88 0.05 2 86 7 8 ARG HD2 H 3.43 0.05 2 87 7 8 ARG HD3 H 3.34 0.05 2 88 7 8 ARG HG2 H 1.82 0.05 2 89 7 8 ARG HG3 H 1.59 0.05 2 90 7 8 ARG C C 180.1 0.5 1 91 7 8 ARG CA C 61.4 0.5 1 92 7 8 ARG CB C 30.4 0.5 1 93 7 8 ARG CD C 44.0 0.5 1 94 7 8 ARG CG C 28.1 0.5 1 95 7 8 ARG N N 121.4 0.5 1 96 8 9 ALA H H 10.29 0.05 1 97 8 9 ALA HA H 4.94 0.05 1 98 8 9 ALA HB H 1.68 0.05 1 99 8 9 ALA C C 180.8 0.5 1 100 8 9 ALA CA C 55.0 0.5 1 101 8 9 ALA CB C 18.7 0.5 1 102 8 9 ALA N N 126.5 0.5 1 103 9 10 GLN H H 8.33 0.05 1 104 9 10 GLN HA H 4.13 0.05 1 105 9 10 GLN HB2 H 2.57 0.05 1 106 9 10 GLN HB3 H 1.98 0.05 1 107 9 10 GLN HE21 H 7.52 0.05 2 108 9 10 GLN HE22 H 6.74 0.05 2 109 9 10 GLN HG2 H 2.68 0.05 2 110 9 10 GLN HG3 H 2.52 0.05 2 111 9 10 GLN C C 175.4 0.5 1 112 9 10 GLN CA C 58.4 0.5 1 113 9 10 GLN CB C 28.5 0.5 1 114 9 10 GLN CG C 34.6 0.5 1 115 9 10 GLN N N 119.2 0.5 1 116 9 10 GLN NE2 N 110.0 0.5 1 117 10 11 TRP H H 8.85 0.05 1 118 10 11 TRP HA H 4.70 0.05 1 119 10 11 TRP HB2 H 3.45 0.05 1 120 10 11 TRP HB3 H 3.23 0.05 1 121 10 11 TRP HD1 H 7.42 0.05 1 122 10 11 TRP HE1 H 10.02 0.05 1 123 10 11 TRP HE3 H 7.29 0.05 1 124 10 11 TRP HH2 H 7.04 0.05 1 125 10 11 TRP HZ2 H 7.48 0.05 1 126 10 11 TRP HZ3 H 6.69 0.05 1 127 10 11 TRP C C 177.4 0.5 1 128 10 11 TRP CA C 58.2 0.5 1 129 10 11 TRP CB C 31.2 0.5 1 130 10 11 TRP N N 121.7 0.5 1 131 10 11 TRP NE1 N 130.4 0.5 1 132 11 12 PHE H H 8.70 0.05 1 133 11 12 PHE HA H 4.08 0.05 1 134 11 12 PHE HB2 H 3.69 0.05 1 135 11 12 PHE HB3 H 3.08 0.05 1 136 11 12 PHE HD1 H 7.08 0.05 3 137 11 12 PHE HD2 H 7.08 0.05 3 138 11 12 PHE HE1 H 6.86 0.05 3 139 11 12 PHE HE2 H 6.86 0.05 3 140 11 12 PHE HZ H 6.68 0.05 1 141 11 12 PHE C C 176.8 0.5 1 142 11 12 PHE CA C 61.8 0.5 1 143 11 12 PHE CB C 38.7 0.5 1 144 11 12 PHE N N 121.6 0.5 1 145 12 13 ALA H H 8.33 0.05 1 146 12 13 ALA HA H 3.87 0.05 1 147 12 13 ALA HB H 1.64 0.05 1 148 12 13 ALA C C 179.5 0.5 1 149 12 13 ALA CA C 55.3 0.5 1 150 12 13 ALA CB C 17.8 0.5 1 151 12 13 ALA N N 123.1 0.5 1 152 13 14 ILE H H 7.81 0.05 1 153 13 14 ILE HA H 3.55 0.05 1 154 13 14 ILE HB H 1.47 0.05 1 155 13 14 ILE HD1 H 0.29 0.05 1 156 13 14 ILE HG12 H 1.51 0.05 2 157 13 14 ILE HG13 H 0.95 0.05 2 158 13 14 ILE HG2 H 0.61 0.05 1 159 13 14 ILE C C 177.7 0.5 1 160 13 14 ILE CA C 64.6 0.5 1 161 13 14 ILE CB C 38.2 0.5 1 162 13 14 ILE CD1 C 13.1 0.5 1 163 13 14 ILE CG1 C 29.8 0.5 1 164 13 14 ILE CG2 C 16.6 0.5 1 165 13 14 ILE N N 119.0 0.5 1 166 14 15 GLN H H 7.34 0.05 1 167 14 15 GLN HA H 3.43 0.05 1 168 14 15 GLN HB2 H 0.86 0.05 2 169 14 15 GLN HB3 H 0.74 0.05 2 170 14 15 GLN HE21 H 6.70 0.05 2 171 14 15 GLN HE22 H 5.75 0.05 2 172 14 15 GLN HG2 H 1.21 0.05 2 173 14 15 GLN HG3 H 0.94 0.05 2 174 14 15 GLN C C 176.1 0.5 1 175 14 15 GLN CA C 57.3 0.5 1 176 14 15 GLN CB C 29.6 0.5 1 177 14 15 GLN CG C 34.2 0.5 1 178 14 15 GLN N N 112.3 0.5 1 179 14 15 GLN NE2 N 111.8 0.5 1 180 15 16 HIS H H 7.88 0.05 1 181 15 16 HIS HA H 5.19 0.05 1 182 15 16 HIS HB2 H 2.69 0.05 1 183 15 16 HIS HB3 H 1.78 0.05 1 184 15 16 HIS HD2 H 6.56 0.05 1 185 15 16 HIS HE1 H 8.93 0.05 1 186 15 16 HIS C C 174.0 0.5 1 187 15 16 HIS CA C 54.2 0.5 1 188 15 16 HIS CB C 30.1 0.5 1 189 15 16 HIS N N 106.6 0.5 1 190 16 17 ILE H H 8.42 0.05 1 191 16 17 ILE HA H 4.94 0.05 1 192 16 17 ILE HB H 2.31 0.05 1 193 16 17 ILE HD1 H 0.99 0.05 1 194 16 17 ILE HG12 H 1.47 0.05 2 195 16 17 ILE HG13 H 1.08 0.05 2 196 16 17 ILE HG2 H 0.98 0.05 1 197 16 17 ILE C C 175.5 0.5 1 198 16 17 ILE CA C 59.9 0.5 1 199 16 17 ILE CB C 37.6 0.5 1 200 16 17 ILE CD1 C 13.2 0.5 1 201 16 17 ILE CG1 C 27.0 0.5 1 202 16 17 ILE CG2 C 17.5 0.5 1 203 16 17 ILE N N 122.7 0.5 1 204 17 18 SER H H 7.89 0.05 1 205 17 18 SER HA H 4.38 0.05 1 206 17 18 SER HB2 H 3.70 0.05 2 207 17 18 SER HB3 H 3.12 0.05 2 208 17 18 SER C C 173.1 0.5 1 209 17 18 SER CA C 57.7 0.5 1 210 17 18 SER CB C 63.8 0.5 1 211 17 18 SER N N 121.5 0.5 1 212 18 19 LEU H H 8.66 0.05 1 213 18 19 LEU HA H 3.90 0.05 1 214 18 19 LEU HB2 H 1.59 0.05 2 215 18 19 LEU HB3 H 1.54 0.05 2 216 18 19 LEU HD1 H 0.79 0.05 2 217 18 19 LEU HD2 H 0.65 0.05 2 218 18 19 LEU HG H 1.57 0.05 1 219 18 19 LEU C C 177.3 0.5 1 220 18 19 LEU CA C 58.5 0.5 1 221 18 19 LEU CB C 42.7 0.5 1 222 18 19 LEU CD1 C 24.4 0.5 1 223 18 19 LEU CD2 C 23.5 0.5 1 224 18 19 LEU CG C 26.7 0.5 1 225 18 19 LEU N N 129.0 0.5 1 226 19 20 ASN H H 8.45 0.05 1 227 19 20 ASN HA H 5.06 0.05 1 228 19 20 ASN HB2 H 2.57 0.05 2 229 19 20 ASN HB3 H 2.43 0.05 2 230 19 20 ASN HD21 H 7.69 0.05 1 231 19 20 ASN HD22 H 6.86 0.05 1 232 19 20 ASN CA C 50.9 0.5 1 233 19 20 ASN CB C 39.7 0.5 1 234 19 20 ASN N N 116.4 0.5 1 235 19 20 ASN ND2 N 115.4 0.5 1 236 20 21 PRO HA H 4.42 0.05 1 237 20 21 PRO HB2 H 2.29 0.05 2 238 20 21 PRO HB3 H 1.88 0.05 2 239 20 21 PRO HD2 H 3.86 0.05 2 240 20 21 PRO HD3 H 3.66 0.05 2 241 20 21 PRO HG2 H 2.02 0.05 2 242 20 21 PRO CA C 63.0 0.5 1 243 20 21 PRO CB C 32.0 0.5 1 244 20 21 PRO CD C 50.7 0.5 1 245 20 21 PRO CG C 27.3 0.5 1 246 21 22 PRO HA H 4.57 0.05 1 247 21 22 PRO HB2 H 2.28 0.05 2 248 21 22 PRO HB3 H 1.61 0.05 2 249 21 22 PRO HD2 H 3.02 0.05 2 250 21 22 PRO HD3 H 2.42 0.05 2 251 21 22 PRO HG2 H 1.75 0.05 2 252 21 22 PRO HG3 H 1.48 0.05 2 253 21 22 PRO C C 173.0 0.5 1 254 21 22 PRO CA C 61.3 0.5 1 255 21 22 PRO CB C 31.5 0.5 1 256 21 22 PRO CD C 50.3 0.5 1 257 21 22 PRO CG C 27.9 0.5 1 258 22 23 ARG H H 7.81 0.05 1 259 22 23 ARG HA H 4.19 0.05 1 260 22 23 ARG HB2 H 2.00 0.05 1 261 22 23 ARG HB3 H 1.99 0.05 1 262 22 23 ARG HD2 H 3.32 0.05 2 263 22 23 ARG HD3 H 3.29 0.05 2 264 22 23 ARG HE H 7.34 0.05 1 265 22 23 ARG HG2 H 1.81 0.05 2 266 22 23 ARG HG3 H 1.72 0.05 2 267 22 23 ARG C C 178.4 0.5 1 268 22 23 ARG CA C 56.0 0.5 1 269 22 23 ARG CB C 29.9 0.5 1 270 22 23 ARG CD C 43.2 0.5 1 271 22 23 ARG CG C 27.1 0.5 1 272 22 23 ARG N N 112.7 0.5 1 273 22 23 ARG NE N 84.9 0.5 1 274 23 24 CYS H H 11.13 0.05 1 275 23 24 CYS HA H 3.92 0.05 1 276 23 24 CYS HB2 H 3.10 0.05 2 277 23 24 CYS HB3 H 2.24 0.05 2 278 23 24 CYS C C 176.0 0.5 1 279 23 24 CYS CA C 62.6 0.5 1 280 23 24 CYS CB C 42.4 0.5 1 281 23 24 CYS N N 124.3 0.5 1 282 24 25 THR H H 9.94 0.05 1 283 24 25 THR HA H 3.94 0.05 1 284 24 25 THR HB H 4.10 0.05 1 285 24 25 THR HG2 H 1.47 0.05 1 286 24 25 THR C C 174.8 0.5 1 287 24 25 THR CA C 67.5 0.5 1 288 24 25 THR CB C 69.6 0.5 1 289 24 25 THR CG2 C 23.5 0.5 1 290 24 25 THR N N 118.3 0.5 1 291 25 26 ILE H H 7.34 0.05 1 292 25 26 ILE HA H 3.87 0.05 1 293 25 26 ILE HB H 1.94 0.05 1 294 25 26 ILE HD1 H 0.88 0.05 1 295 25 26 ILE HG12 H 1.51 0.05 2 296 25 26 ILE HG13 H 1.21 0.05 2 297 25 26 ILE HG2 H 0.88 0.05 1 298 25 26 ILE C C 178.7 0.5 1 299 25 26 ILE CA C 63.1 0.5 1 300 25 26 ILE CB C 37.8 0.5 1 301 25 26 ILE CD1 C 11.6 0.5 1 302 25 26 ILE CG1 C 27.5 0.5 1 303 25 26 ILE CG2 C 17.2 0.5 1 304 25 26 ILE N N 119.5 0.5 1 305 26 27 ALA H H 8.85 0.05 1 306 26 27 ALA HA H 3.69 0.05 1 307 26 27 ALA HB H 0.88 0.05 1 308 26 27 ALA C C 179.8 0.5 1 309 26 27 ALA CA C 54.7 0.5 1 310 26 27 ALA CB C 18.6 0.5 1 311 26 27 ALA N N 125.4 0.5 1 312 27 28 MET H H 8.46 0.05 1 313 27 28 MET HA H 4.48 0.05 1 314 27 28 MET HB2 H 2.13 0.05 2 315 27 28 MET HB3 H 0.29 0.05 2 316 27 28 MET HE H 1.52 0.05 1 317 27 28 MET HG2 H 1.55 0.05 2 318 27 28 MET HG3 H 1.52 0.05 2 319 27 28 MET C C 178.2 0.5 1 320 27 28 MET CA C 53.8 0.5 1 321 27 28 MET CB C 29.7 0.5 1 322 27 28 MET CG C 29.7 0.5 1 323 27 28 MET N N 110.3 0.5 1 324 28 29 ARG H H 7.50 0.05 1 325 28 29 ARG HA H 4.18 0.05 1 326 28 29 ARG HB2 H 1.95 0.05 2 327 28 29 ARG HB3 H 1.91 0.05 2 328 28 29 ARG HD2 H 3.31 0.05 2 329 28 29 ARG HD3 H 3.27 0.05 2 330 28 29 ARG HE H 7.29 0.05 1 331 28 29 ARG HG2 H 1.97 0.05 2 332 28 29 ARG HG3 H 1.82 0.05 2 333 28 29 ARG C C 177.7 0.5 1 334 28 29 ARG CA C 59.4 0.5 1 335 28 29 ARG CB C 29.2 0.5 1 336 28 29 ARG CD C 43.3 0.5 1 337 28 29 ARG CG C 27.2 0.5 1 338 28 29 ARG N N 121.8 0.5 1 339 28 29 ARG NE N 84.5 0.5 1 340 29 30 ALA H H 7.30 0.05 1 341 29 30 ALA HA H 4.12 0.05 1 342 29 30 ALA HB H 1.50 0.05 1 343 29 30 ALA C C 178.6 0.5 1 344 29 30 ALA CA C 54.4 0.5 1 345 29 30 ALA CB C 18.4 0.5 1 346 29 30 ALA N N 118.3 0.5 1 347 30 31 ILE H H 6.77 0.05 1 348 30 31 ILE HA H 3.93 0.05 1 349 30 31 ILE HB H 1.72 0.05 1 350 30 31 ILE HD1 H 0.80 0.05 1 351 30 31 ILE HG12 H 1.50 0.05 2 352 30 31 ILE HG13 H 0.84 0.05 2 353 30 31 ILE HG2 H 0.78 0.05 1 354 30 31 ILE C C 178.2 0.5 1 355 30 31 ILE CA C 63.2 0.5 1 356 30 31 ILE CB C 39.4 0.5 1 357 30 31 ILE CD1 C 14.6 0.5 1 358 30 31 ILE CG1 C 29.4 0.5 1 359 30 31 ILE CG2 C 17.7 0.5 1 360 30 31 ILE N N 114.6 0.5 1 361 31 32 ASN H H 8.46 0.05 1 362 31 32 ASN HA H 4.53 0.05 1 363 31 32 ASN HB2 H 2.89 0.05 1 364 31 32 ASN HB3 H 2.60 0.05 1 365 31 32 ASN HD21 H 8.99 0.05 1 366 31 32 ASN HD22 H 7.69 0.05 1 367 31 32 ASN C C 176.6 0.5 1 368 31 32 ASN CA C 54.9 0.5 1 369 31 32 ASN CB C 37.6 0.5 1 370 31 32 ASN N N 118.3 0.5 1 371 31 32 ASN ND2 N 115.2 0.5 1 372 32 33 ASN H H 8.00 0.05 1 373 32 33 ASN HA H 4.43 0.05 1 374 32 33 ASN HB2 H 2.56 0.05 2 375 32 33 ASN HB3 H 2.35 0.05 2 376 32 33 ASN HD21 H 6.93 0.05 2 377 32 33 ASN HD22 H 6.71 0.05 2 378 32 33 ASN C C 176.2 0.5 1 379 32 33 ASN CA C 55.1 0.5 1 380 32 33 ASN CB C 38.4 0.5 1 381 32 33 ASN N N 118.2 0.5 1 382 32 33 ASN ND2 N 111.3 0.5 1 383 33 34 TYR H H 7.54 0.05 1 384 33 34 TYR HA H 4.69 0.05 1 385 33 34 TYR HB2 H 3.53 0.05 2 386 33 34 TYR HB3 H 3.05 0.05 2 387 33 34 TYR HD1 H 7.21 0.05 3 388 33 34 TYR HD2 H 7.21 0.05 3 389 33 34 TYR HE1 H 6.89 0.05 3 390 33 34 TYR HE2 H 6.89 0.05 3 391 33 34 TYR C C 175.1 0.5 1 392 33 34 TYR CA C 58.3 0.5 1 393 33 34 TYR CB C 39.2 0.5 1 394 33 34 TYR N N 116.0 0.5 1 395 34 35 ARG H H 7.82 0.05 1 396 34 35 ARG HA H 4.66 0.05 1 397 34 35 ARG HB2 H 2.39 0.05 2 398 34 35 ARG HB3 H 1.83 0.05 2 399 34 35 ARG HD2 H 3.56 0.05 2 400 34 35 ARG HD3 H 3.53 0.05 2 401 34 35 ARG HE H 7.46 0.05 1 402 34 35 ARG HG2 H 1.90 0.05 2 403 34 35 ARG HG3 H 1.82 0.05 2 404 34 35 ARG C C 174.7 0.5 1 405 34 35 ARG CA C 55.1 0.5 1 406 34 35 ARG CB C 34.6 0.5 1 407 34 35 ARG CD C 43.6 0.5 1 408 34 35 ARG CG C 27.7 0.5 1 409 34 35 ARG N N 119.6 0.5 1 410 34 35 ARG NE N 83.3 0.5 1 411 35 36 TRP H H 8.30 0.05 1 412 35 36 TRP HA H 4.75 0.05 1 413 35 36 TRP HB2 H 3.44 0.05 2 414 35 36 TRP HB3 H 3.38 0.05 2 415 35 36 TRP HD1 H 7.34 0.05 1 416 35 36 TRP HE1 H 10.14 0.05 1 417 35 36 TRP HE3 H 7.75 0.05 1 418 35 36 TRP HH2 H 7.26 0.05 1 419 35 36 TRP HZ2 H 7.53 0.05 1 420 35 36 TRP HZ3 H 7.20 0.05 1 421 35 36 TRP C C 176.0 0.5 1 422 35 36 TRP CA C 57.9 0.5 1 423 35 36 TRP CB C 29.3 0.5 1 424 35 36 TRP N N 118.1 0.5 1 425 35 36 TRP NE1 N 129.8 0.5 1 426 36 37 ARG H H 7.69 0.05 1 427 36 37 ARG HA H 4.53 0.05 1 428 36 37 ARG HB2 H 1.74 0.05 2 429 36 37 ARG HB3 H 1.65 0.05 2 430 36 37 ARG HD2 H 3.14 0.05 2 431 36 37 ARG HD3 H 3.08 0.05 2 432 36 37 ARG HE H 7.08 0.05 1 433 36 37 ARG HG2 H 1.44 0.05 2 434 36 37 ARG HG3 H 1.37 0.05 2 435 36 37 ARG C C 175.7 0.5 1 436 36 37 ARG CA C 53.6 0.5 1 437 36 37 ARG CB C 33.1 0.5 1 438 36 37 ARG CD C 43.0 0.5 1 439 36 37 ARG CG C 26.6 0.5 1 440 36 37 ARG N N 117.2 0.5 1 441 36 37 ARG NE N 84.8 0.5 1 442 37 38 CYS H H 9.11 0.05 1 443 37 38 CYS HA H 3.76 0.05 1 444 37 38 CYS HB2 H 2.77 0.05 2 445 37 38 CYS HB3 H 2.10 0.05 2 446 37 38 CYS C C 174.1 0.5 1 447 37 38 CYS CA C 55.0 0.5 1 448 37 38 CYS CB C 42.2 0.5 1 449 37 38 CYS N N 121.9 0.5 1 450 38 39 LYS H H 8.91 0.05 1 451 38 39 LYS HA H 4.27 0.05 1 452 38 39 LYS HB2 H 1.84 0.05 2 453 38 39 LYS HB3 H 1.75 0.05 2 454 38 39 LYS HD2 H 1.65 0.05 1 455 38 39 LYS HD3 H 1.65 0.05 1 456 38 39 LYS HE2 H 3.02 0.05 1 457 38 39 LYS HE3 H 3.02 0.05 1 458 38 39 LYS HG2 H 1.48 0.05 2 459 38 39 LYS HG3 H 1.43 0.05 2 460 38 39 LYS C C 178.4 0.5 1 461 38 39 LYS CA C 56.7 0.5 1 462 38 39 LYS CB C 33.3 0.5 1 463 38 39 LYS CD C 28.9 0.5 1 464 38 39 LYS CE C 42.1 0.5 1 465 38 39 LYS CG C 24.8 0.5 1 466 38 39 LYS N N 125.4 0.5 1 467 39 40 ASN H H 9.48 0.05 1 468 39 40 ASN HA H 4.44 0.05 1 469 39 40 ASN HB2 H 3.01 0.05 2 470 39 40 ASN HB3 H 2.97 0.05 2 471 39 40 ASN HD21 H 7.78 0.05 2 472 39 40 ASN HD22 H 7.09 0.05 2 473 39 40 ASN C C 174.2 0.5 1 474 39 40 ASN CA C 57.2 0.5 1 475 39 40 ASN CB C 38.2 0.5 1 476 39 40 ASN N N 129.0 0.5 1 477 39 40 ASN ND2 N 113.8 0.5 1 478 40 41 GLN H H 7.84 0.05 1 479 40 41 GLN HA H 5.39 0.05 1 480 40 41 GLN HB2 H 2.35 0.05 2 481 40 41 GLN HB3 H 2.05 0.05 2 482 40 41 GLN HE21 H 7.54 0.05 2 483 40 41 GLN HE22 H 6.89 0.05 2 484 40 41 GLN HG2 H 2.63 0.05 2 485 40 41 GLN HG3 H 2.44 0.05 2 486 40 41 GLN C C 174.5 0.5 1 487 40 41 GLN CA C 54.0 0.5 1 488 40 41 GLN CB C 32.4 0.5 1 489 40 41 GLN CG C 32.4 0.5 1 490 40 41 GLN N N 113.4 0.5 1 491 40 41 GLN NE2 N 112.7 0.5 1 492 41 42 ASN H H 8.02 0.05 1 493 41 42 ASN HA H 4.85 0.05 1 494 41 42 ASN HB2 H 2.08 0.05 1 495 41 42 ASN HB3 H 2.33 0.05 1 496 41 42 ASN C C 173.0 0.5 1 497 41 42 ASN CA C 54.2 0.5 1 498 41 42 ASN CB C 44.1 0.5 1 499 41 42 ASN N N 113.9 0.5 1 500 42 43 THR H H 8.01 0.05 1 501 42 43 THR HA H 4.89 0.05 1 502 42 43 THR HB H 3.77 0.05 1 503 42 43 THR HG2 H 1.03 0.05 1 504 42 43 THR C C 172.2 0.5 1 505 42 43 THR CA C 62.0 0.5 1 506 42 43 THR CB C 70.4 0.5 1 507 42 43 THR CG2 C 23.6 0.5 1 508 42 43 THR N N 122.0 0.5 1 509 43 44 PHE H H 9.50 0.05 1 510 43 44 PHE HA H 4.38 0.05 1 511 43 44 PHE HB2 H 2.98 0.05 1 512 43 44 PHE HB3 H 2.58 0.05 1 513 43 44 PHE HD1 H 6.81 0.05 3 514 43 44 PHE HD2 H 6.81 0.05 3 515 43 44 PHE HE1 H 7.05 0.05 3 516 43 44 PHE HE2 H 7.05 0.05 3 517 43 44 PHE HZ H 7.13 0.05 1 518 43 44 PHE C C 176.1 0.5 1 519 43 44 PHE CA C 57.1 0.5 1 520 43 44 PHE CB C 40.3 0.5 1 521 43 44 PHE N N 127.2 0.5 1 522 44 45 LEU H H 9.38 0.05 1 523 44 45 LEU HA H 4.22 0.05 1 524 44 45 LEU HB2 H 1.99 0.05 1 525 44 45 LEU HB3 H 0.81 0.05 1 526 44 45 LEU HD1 H 0.43 0.05 2 527 44 45 LEU HD2 H 0.08 0.05 2 528 44 45 LEU HG H 1.52 0.05 1 529 44 45 LEU C C 176.0 0.5 1 530 44 45 LEU CA C 54.0 0.5 1 531 44 45 LEU CB C 42.5 0.5 1 532 44 45 LEU CD1 C 21.7 0.5 1 533 44 45 LEU CD2 C 23.6 0.5 1 534 44 45 LEU CG C 26.1 0.5 1 535 44 45 LEU N N 124.6 0.5 1 536 45 46 ARG H H 8.64 0.05 1 537 45 46 ARG HA H 5.15 0.05 1 538 45 46 ARG HB2 H 2.04 0.05 2 539 45 46 ARG HB3 H 1.74 0.05 2 540 45 46 ARG HD2 H 3.14 0.05 2 541 45 46 ARG HD3 H 2.94 0.05 2 542 45 46 ARG HE H 7.05 0.05 1 543 45 46 ARG HG2 H 1.96 0.05 2 544 45 46 ARG HG3 H 1.44 0.05 2 545 45 46 ARG C C 174.1 0.5 1 546 45 46 ARG CA C 54.0 0.5 1 547 45 46 ARG CB C 26.8 0.5 1 548 45 46 ARG CD C 44.1 0.5 1 549 45 46 ARG CG C 24.9 0.5 1 550 45 46 ARG N N 126.9 0.5 1 551 45 46 ARG NE N 83.2 0.5 1 552 46 47 THR H H 7.35 0.05 1 553 46 47 THR HA H 4.62 0.05 1 554 46 47 THR HB H 4.09 0.05 1 555 46 47 THR HG2 H 0.95 0.05 1 556 46 47 THR C C 171.3 0.5 1 557 46 47 THR CA C 58.5 0.5 1 558 46 47 THR CB C 68.8 0.5 1 559 46 47 THR CG2 C 17.7 0.5 1 560 46 47 THR N N 117.8 0.5 1 561 47 48 THR H H 8.06 0.05 1 562 47 48 THR HA H 4.79 0.05 1 563 47 48 THR HB H 4.69 0.05 1 564 47 48 THR HG2 H 1.33 0.05 1 565 47 48 THR C C 174.9 0.5 1 566 47 48 THR CA C 58.9 0.5 1 567 47 48 THR CB C 71.4 0.5 1 568 47 48 THR CG2 C 22.0 0.5 1 569 47 48 THR N N 109.3 0.5 1 570 48 49 PHE H H 9.43 0.05 1 571 48 49 PHE HA H 3.97 0.05 1 572 48 49 PHE HB2 H 3.30 0.05 1 573 48 49 PHE HB3 H 3.13 0.05 1 574 48 49 PHE HD1 H 7.00 0.05 3 575 48 49 PHE HD2 H 7.00 0.05 3 576 48 49 PHE HE1 H 7.26 0.05 3 577 48 49 PHE HE2 H 7.26 0.05 3 578 48 49 PHE HZ H 7.12 0.05 1 579 48 49 PHE C C 176.7 0.5 1 580 48 49 PHE CA C 62.8 0.5 1 581 48 49 PHE CB C 39.0 0.5 1 582 48 49 PHE N N 124.4 0.5 1 583 49 50 ALA H H 8.73 0.05 1 584 49 50 ALA HA H 3.63 0.05 1 585 49 50 ALA HB H 1.52 0.05 1 586 49 50 ALA C C 179.7 0.5 1 587 49 50 ALA CA C 55.2 0.5 1 588 49 50 ALA CB C 18.1 0.5 1 589 49 50 ALA N N 119.3 0.5 1 590 50 51 ASN H H 7.75 0.05 1 591 50 51 ASN HA H 4.47 0.05 1 592 50 51 ASN HB2 H 3.14 0.05 1 593 50 51 ASN HB3 H 2.97 0.05 1 594 50 51 ASN HD21 H 7.21 0.05 2 595 50 51 ASN HD22 H 7.09 0.05 2 596 50 51 ASN C C 177.6 0.5 1 597 50 51 ASN CA C 56.1 0.5 1 598 50 51 ASN CB C 38.0 0.5 1 599 50 51 ASN N N 117.6 0.5 1 600 50 51 ASN ND2 N 112.0 0.5 1 601 51 52 VAL H H 7.65 0.05 1 602 51 52 VAL HA H 4.10 0.05 1 603 51 52 VAL HB H 1.85 0.05 1 604 51 52 VAL HG1 H 0.81 0.05 1 605 51 52 VAL HG2 H 1.00 0.05 1 606 51 52 VAL C C 178.2 0.5 1 607 51 52 VAL CA C 65.1 0.5 1 608 51 52 VAL CB C 30.9 0.5 1 609 51 52 VAL CG1 C 24.0 0.5 1 610 51 52 VAL CG2 C 21.7 0.5 1 611 51 52 VAL N N 122.5 0.5 1 612 52 53 VAL H H 8.11 0.05 1 613 52 53 VAL HA H 2.85 0.05 1 614 52 53 VAL HB H 1.71 0.05 1 615 52 53 VAL HG1 H 0.79 0.05 1 616 52 53 VAL HG2 H 0.11 0.05 1 617 52 53 VAL C C 178.8 0.5 1 618 52 53 VAL CA C 67.2 0.5 1 619 52 53 VAL CB C 30.5 0.5 1 620 52 53 VAL CG1 C 21.5 0.5 1 621 52 53 VAL CG2 C 23.6 0.5 1 622 52 53 VAL N N 120.3 0.5 1 623 53 54 ASN H H 7.47 0.05 1 624 53 54 ASN HA H 4.33 0.05 1 625 53 54 ASN HB2 H 3.04 0.05 1 626 53 54 ASN HB3 H 2.93 0.05 1 627 53 54 ASN HD21 H 7.68 0.05 1 628 53 54 ASN HD22 H 6.93 0.05 1 629 53 54 ASN C C 178.7 0.5 1 630 53 54 ASN CA C 56.4 0.5 1 631 53 54 ASN CB C 37.9 0.5 1 632 53 54 ASN N N 118.3 0.5 1 633 53 54 ASN ND2 N 113.1 0.5 1 634 54 55 VAL H H 7.49 0.05 1 635 54 55 VAL HA H 3.55 0.05 1 636 54 55 VAL HB H 2.49 0.05 1 637 54 55 VAL HG1 H 0.56 0.05 1 638 54 55 VAL HG2 H 1.11 0.05 1 639 54 55 VAL C C 177.6 0.5 1 640 54 55 VAL CA C 66.4 0.5 1 641 54 55 VAL CB C 30.6 0.5 1 642 54 55 VAL CG1 C 21.6 0.5 1 643 54 55 VAL CG2 C 24.0 0.5 1 644 54 55 VAL N N 125.0 0.5 1 645 55 56 CYS H H 7.66 0.05 1 646 55 56 CYS HA H 3.35 0.05 1 647 55 56 CYS HB2 H 3.20 0.05 2 648 55 56 CYS HB3 H 2.41 0.05 2 649 55 56 CYS C C 174.1 0.5 1 650 55 56 CYS CA C 55.2 0.5 1 651 55 56 CYS CB C 38.6 0.5 1 652 55 56 CYS N N 116.1 0.5 1 653 56 57 GLY H H 7.29 0.05 1 654 56 57 GLY HA2 H 4.07 0.05 2 655 56 57 GLY HA3 H 3.68 0.05 2 656 56 57 GLY C C 174.9 0.5 1 657 56 57 GLY CA C 44.7 0.5 1 658 56 57 GLY N N 104.7 0.5 1 659 57 58 ASN H H 7.75 0.05 1 660 57 58 ASN HA H 4.77 0.05 1 661 57 58 ASN HB2 H 3.29 0.05 2 662 57 58 ASN HB3 H 3.11 0.05 2 663 57 58 ASN HD21 H 7.48 0.05 2 664 57 58 ASN HD22 H 6.85 0.05 2 665 57 58 ASN C C 175.6 0.5 1 666 57 58 ASN CA C 51.7 0.5 1 667 57 58 ASN CB C 37.8 0.5 1 668 57 58 ASN N N 121.3 0.5 1 669 57 58 ASN ND2 N 109.9 0.5 1 670 58 59 GLN H H 8.38 0.05 1 671 58 59 GLN HA H 4.14 0.05 1 672 58 59 GLN HB2 H 2.10 0.05 2 673 58 59 GLN HB3 H 1.96 0.05 2 674 58 59 GLN HE21 H 7.69 0.05 1 675 58 59 GLN HE22 H 6.91 0.05 1 676 58 59 GLN HG2 H 2.43 0.05 2 677 58 59 GLN HG3 H 2.41 0.05 2 678 58 59 GLN C C 175.4 0.5 1 679 58 59 GLN CA C 57.2 0.5 1 680 58 59 GLN CB C 28.8 0.5 1 681 58 59 GLN CG C 33.4 0.5 1 682 58 59 GLN N N 121.1 0.5 1 683 58 59 GLN NE2 N 113.8 0.5 1 684 59 60 SER H H 8.50 0.05 1 685 59 60 SER HA H 4.21 0.05 1 686 59 60 SER HB2 H 3.88 0.05 2 687 59 60 SER HB3 H 3.84 0.05 2 688 59 60 SER C C 174.0 0.5 1 689 59 60 SER CA C 58.5 0.5 1 690 59 60 SER CB C 63.8 0.5 1 691 59 60 SER N N 122.5 0.5 1 692 60 61 ILE H H 8.56 0.05 1 693 60 61 ILE HA H 4.50 0.05 1 694 60 61 ILE HB H 1.81 0.05 1 695 60 61 ILE HD1 H 0.66 0.05 1 696 60 61 ILE HG12 H 0.80 0.05 2 697 60 61 ILE HG13 H 0.50 0.05 2 698 60 61 ILE HG2 H 0.77 0.05 1 699 60 61 ILE C C 174.6 0.5 1 700 60 61 ILE CA C 58.8 0.5 1 701 60 61 ILE CB C 43.0 0.5 1 702 60 61 ILE CD1 C 13.8 0.5 1 703 60 61 ILE CG1 C 25.4 0.5 1 704 60 61 ILE CG2 C 17.5 0.5 1 705 60 61 ILE N N 118.7 0.5 1 706 61 62 ARG H H 8.00 0.05 1 707 61 62 ARG HA H 4.59 0.05 1 708 61 62 ARG HB2 H 1.72 0.05 2 709 61 62 ARG HB3 H 1.60 0.05 2 710 61 62 ARG HD2 H 3.28 0.05 2 711 61 62 ARG HD3 H 3.19 0.05 2 712 61 62 ARG HE H 7.26 0.05 1 713 61 62 ARG HG2 H 1.71 0.05 2 714 61 62 ARG HG3 H 1.56 0.05 2 715 61 62 ARG C C 177.8 0.5 1 716 61 62 ARG CA C 55.6 0.5 1 717 61 62 ARG CB C 30.0 0.5 1 718 61 62 ARG CD C 43.4 0.5 1 719 61 62 ARG CG C 26.9 0.5 1 720 61 62 ARG N N 120.6 0.5 1 721 61 62 ARG NE N 84.3 0.5 1 722 62 63 CYS H H 8.36 0.05 1 723 62 63 CYS HA H 4.34 0.05 1 724 62 63 CYS HB2 H 3.47 0.05 2 725 62 63 CYS HB3 H 3.21 0.05 2 726 62 63 CYS CA C 52.8 0.5 1 727 62 63 CYS CB C 40.8 0.5 1 728 62 63 CYS N N 126.0 0.5 1 729 63 64 PRO HA H 4.15 0.05 1 730 63 64 PRO HB2 H 2.28 0.05 2 731 63 64 PRO HB3 H 1.91 0.05 2 732 63 64 PRO HD2 H 3.88 0.05 1 733 63 64 PRO HD3 H 3.83 0.05 1 734 63 64 PRO HG2 H 1.97 0.05 2 735 63 64 PRO C C 178.0 0.5 1 736 63 64 PRO CA C 65.0 0.5 1 737 63 64 PRO CB C 31.6 0.5 1 738 63 64 PRO CD C 50.9 0.5 1 739 63 64 PRO CG C 27.2 0.5 1 740 64 65 HIS H H 10.34 0.05 1 741 64 65 HIS HA H 4.78 0.05 1 742 64 65 HIS HB2 H 3.60 0.05 2 743 64 65 HIS HB3 H 3.13 0.05 2 744 64 65 HIS HD2 H 7.31 0.05 1 745 64 65 HIS C C 174.7 0.5 1 746 64 65 HIS CA C 56.0 0.5 1 747 64 65 HIS CB C 27.8 0.5 1 748 64 65 HIS N N 115.0 0.5 1 749 65 66 ASN H H 7.80 0.05 1 750 65 66 ASN HA H 4.70 0.05 1 751 65 66 ASN HB2 H 2.85 0.05 2 752 65 66 ASN HB3 H 2.80 0.05 2 753 65 66 ASN HD21 H 7.86 0.05 2 754 65 66 ASN HD22 H 7.01 0.05 2 755 65 66 ASN C C 174.5 0.5 1 756 65 66 ASN CA C 53.2 0.5 1 757 65 66 ASN CB C 37.7 0.5 1 758 65 66 ASN N N 118.3 0.5 1 759 65 66 ASN ND2 N 113.6 0.5 1 760 66 67 ARG H H 8.57 0.05 1 761 66 67 ARG HA H 4.26 0.05 1 762 66 67 ARG HB2 H 1.93 0.05 2 763 66 67 ARG HB3 H 1.82 0.05 2 764 66 67 ARG HD2 H 3.20 0.05 1 765 66 67 ARG HD3 H 3.20 0.05 1 766 66 67 ARG HE H 7.21 0.05 1 767 66 67 ARG HG2 H 1.68 0.05 2 768 66 67 ARG HG3 H 1.65 0.05 2 769 66 67 ARG C C 176.4 0.5 1 770 66 67 ARG CA C 58.3 0.5 1 771 66 67 ARG CB C 29.6 0.5 1 772 66 67 ARG CD C 43.3 0.5 1 773 66 67 ARG CG C 27.1 0.5 1 774 66 67 ARG N N 121.8 0.5 1 775 66 67 ARG NE N 84.4 0.5 1 776 67 68 THR H H 7.79 0.05 1 777 67 68 THR HA H 4.24 0.05 1 778 67 68 THR HB H 4.33 0.05 1 779 67 68 THR HG2 H 1.25 0.05 1 780 67 68 THR C C 174.0 0.5 1 781 67 68 THR CA C 62.9 0.5 1 782 67 68 THR CB C 68.9 0.5 1 783 67 68 THR CG2 C 21.7 0.5 1 784 67 68 THR N N 110.5 0.5 1 785 68 69 LEU H H 8.03 0.05 1 786 68 69 LEU HA H 4.60 0.05 1 787 68 69 LEU HB2 H 1.85 0.05 2 788 68 69 LEU HB3 H 1.76 0.05 2 789 68 69 LEU HD1 H 0.82 0.05 1 790 68 69 LEU HD2 H 0.90 0.05 1 791 68 69 LEU HG H 1.51 0.05 1 792 68 69 LEU C C 175.9 0.5 1 793 68 69 LEU CA C 54.0 0.5 1 794 68 69 LEU CB C 43.8 0.5 1 795 68 69 LEU CD1 C 22.7 0.5 1 796 68 69 LEU CD2 C 25.7 0.5 1 797 68 69 LEU CG C 26.7 0.5 1 798 68 69 LEU N N 123.9 0.5 1 799 69 70 ASN H H 8.58 0.05 1 800 69 70 ASN HA H 5.15 0.05 1 801 69 70 ASN HB2 H 2.76 0.05 2 802 69 70 ASN HB3 H 2.50 0.05 2 803 69 70 ASN HD21 H 7.38 0.05 2 804 69 70 ASN HD22 H 6.63 0.05 2 805 69 70 ASN C C 174.1 0.5 1 806 69 70 ASN CA C 51.8 0.5 1 807 69 70 ASN CB C 39.3 0.5 1 808 69 70 ASN N N 121.0 0.5 1 809 69 70 ASN ND2 N 111.6 0.5 1 810 70 71 ASN H H 8.25 0.05 1 811 70 71 ASN HA H 4.94 0.05 1 812 70 71 ASN HB2 H 2.81 0.05 2 813 70 71 ASN HB3 H 2.75 0.05 2 814 70 71 ASN HD21 H 7.87 0.05 2 815 70 71 ASN HD22 H 7.01 0.05 2 816 70 71 ASN C C 175.1 0.5 1 817 70 71 ASN CA C 51.8 0.5 1 818 70 71 ASN CB C 37.0 0.5 1 819 70 71 ASN N N 117.3 0.5 1 820 70 71 ASN ND2 N 113.5 0.5 1 821 71 72 CYS H H 7.54 0.05 1 822 71 72 CYS HA H 5.68 0.05 1 823 71 72 CYS HB2 H 2.81 0.05 2 824 71 72 CYS HB3 H 2.69 0.05 2 825 71 72 CYS C C 173.6 0.5 1 826 71 72 CYS CA C 60.3 0.5 1 827 71 72 CYS CB C 46.4 0.5 1 828 71 72 CYS N N 116.0 0.5 1 829 72 73 HIS H H 8.61 0.05 1 830 72 73 HIS HA H 4.57 0.05 1 831 72 73 HIS HB2 H 3.19 0.05 1 832 72 73 HIS HB3 H 2.48 0.05 1 833 72 73 HIS HD1 H 11.99 0.05 1 834 72 73 HIS HD2 H 7.14 0.05 1 835 72 73 HIS HE1 H 8.57 0.05 1 836 72 73 HIS C C 172.1 0.5 1 837 72 73 HIS CA C 55.0 0.5 1 838 72 73 HIS CB C 32.9 0.5 1 839 72 73 HIS N N 116.9 0.5 1 840 73 74 ARG H H 9.56 0.05 1 841 73 74 ARG HA H 5.13 0.05 1 842 73 74 ARG HB2 H 1.64 0.05 2 843 73 74 ARG HB3 H 1.41 0.05 2 844 73 74 ARG HD2 H 2.76 0.05 1 845 73 74 ARG HD3 H 2.76 0.05 1 846 73 74 ARG HE H 6.50 0.05 1 847 73 74 ARG HG2 H 1.84 0.05 2 848 73 74 ARG HG3 H 1.27 0.05 2 849 73 74 ARG C C 176.2 0.5 1 850 73 74 ARG CA C 53.4 0.5 1 851 73 74 ARG CB C 32.5 0.5 1 852 73 74 ARG CD C 43.4 0.5 1 853 73 74 ARG CG C 26.7 0.5 1 854 73 74 ARG N N 127.1 0.5 1 855 73 74 ARG NE N 84.1 0.5 1 856 74 75 SER H H 9.00 0.05 1 857 74 75 SER HA H 3.90 0.05 1 858 74 75 SER HB2 H 4.22 0.05 2 859 74 75 SER HB3 H 2.50 0.05 2 860 74 75 SER C C 172.8 0.5 1 861 74 75 SER CA C 59.1 0.5 1 862 74 75 SER CB C 63.3 0.5 1 863 74 75 SER N N 125.4 0.5 1 864 75 76 ARG H H 8.51 0.05 1 865 75 76 ARG HA H 3.96 0.05 1 866 75 76 ARG HB2 H 1.58 0.05 1 867 75 76 ARG HB3 H 1.40 0.05 1 868 75 76 ARG HD2 H 3.05 0.05 1 869 75 76 ARG HD3 H 3.05 0.05 1 870 75 76 ARG HE H 7.07 0.05 1 871 75 76 ARG HG2 H 1.37 0.05 2 872 75 76 ARG HG3 H 1.09 0.05 2 873 75 76 ARG C C 175.7 0.5 1 874 75 76 ARG CA C 57.7 0.5 1 875 75 76 ARG CB C 30.4 0.5 1 876 75 76 ARG CD C 43.3 0.5 1 877 75 76 ARG CG C 27.5 0.5 1 878 75 76 ARG N N 122.7 0.5 1 879 75 76 ARG NE N 85.0 0.5 1 880 76 77 PHE H H 7.64 0.05 1 881 76 77 PHE HA H 5.06 0.05 1 882 76 77 PHE HB2 H 3.34 0.05 2 883 76 77 PHE HB3 H 2.79 0.05 2 884 76 77 PHE HD1 H 7.38 0.05 3 885 76 77 PHE HD2 H 7.38 0.05 3 886 76 77 PHE HE1 H 7.31 0.05 3 887 76 77 PHE HE2 H 7.31 0.05 3 888 76 77 PHE C C 175.6 0.5 1 889 76 77 PHE CA C 54.8 0.5 1 890 76 77 PHE CB C 41.9 0.5 1 891 76 77 PHE N N 114.3 0.5 1 892 77 78 ARG H H 8.60 0.05 1 893 77 78 ARG HA H 3.52 0.05 1 894 77 78 ARG HB2 H 1.26 0.05 2 895 77 78 ARG HB3 H 0.84 0.05 2 896 77 78 ARG HD2 H 2.86 0.05 2 897 77 78 ARG HD3 H 2.74 0.05 2 898 77 78 ARG HE H 7.33 0.05 1 899 77 78 ARG HG2 H 0.63 0.05 2 900 77 78 ARG HG3 H 0.15 0.05 2 901 77 78 ARG C C 176.1 0.5 1 902 77 78 ARG CA C 55.8 0.5 1 903 77 78 ARG CB C 31.0 0.5 1 904 77 78 ARG CD C 43.2 0.5 1 905 77 78 ARG CG C 26.9 0.5 1 906 77 78 ARG N N 122.5 0.5 1 907 77 78 ARG NE N 86.1 0.5 1 908 78 79 VAL H H 8.53 0.05 1 909 78 79 VAL HA H 4.95 0.05 1 910 78 79 VAL HB H 2.29 0.05 1 911 78 79 VAL HG1 H 1.15 0.05 1 912 78 79 VAL HG2 H 1.22 0.05 1 913 78 79 VAL CA C 57.3 0.5 1 914 78 79 VAL CB C 34.1 0.5 1 915 78 79 VAL CG1 C 20.4 0.5 1 916 78 79 VAL CG2 C 21.9 0.5 1 917 78 79 VAL N N 119.6 0.5 1 918 79 80 PRO HA H 5.06 0.05 1 919 79 80 PRO HB2 H 2.49 0.05 2 920 79 80 PRO HB3 H 2.00 0.05 2 921 79 80 PRO HD2 H 3.87 0.05 2 922 79 80 PRO HD3 H 3.87 0.05 2 923 79 80 PRO HG2 H 2.40 0.05 2 924 79 80 PRO HG3 H 2.01 0.05 2 925 79 80 PRO C C 175.0 0.5 1 926 79 80 PRO CA C 62.0 0.5 1 927 79 80 PRO CB C 31.5 0.5 1 928 79 80 PRO CD C 50.9 0.5 1 929 79 80 PRO CG C 27.6 0.5 1 930 80 81 LEU H H 8.87 0.05 1 931 80 81 LEU HA H 5.14 0.05 1 932 80 81 LEU HB2 H 1.87 0.05 1 933 80 81 LEU HB3 H 1.53 0.05 1 934 80 81 LEU HD1 H 0.78 0.05 2 935 80 81 LEU HD2 H 0.77 0.05 2 936 80 81 LEU HG H 1.68 0.05 1 937 80 81 LEU C C 174.1 0.5 1 938 80 81 LEU CA C 53.6 0.5 1 939 80 81 LEU CB C 45.7 0.5 1 940 80 81 LEU CD1 C 27.7 0.5 1 941 80 81 LEU CD2 C 23.8 0.5 1 942 80 81 LEU CG C 25.4 0.5 1 943 80 81 LEU N N 116.9 0.5 1 944 81 82 LEU H H 9.43 0.05 1 945 81 82 LEU HA H 4.71 0.05 1 946 81 82 LEU HB2 H 1.87 0.05 1 947 81 82 LEU HB3 H 1.36 0.05 1 948 81 82 LEU HD1 H 1.02 0.05 1 949 81 82 LEU HD2 H 0.79 0.05 1 950 81 82 LEU HG H 1.37 0.05 1 951 81 82 LEU C C 173.3 0.5 1 952 81 82 LEU CA C 54.6 0.5 1 953 81 82 LEU CB C 45.7 0.5 1 954 81 82 LEU CD1 C 21.9 0.5 1 955 81 82 LEU CD2 C 26.0 0.5 1 956 81 82 LEU CG C 27.6 0.5 1 957 81 82 LEU N N 124.6 0.5 1 958 82 83 HIS H H 8.27 0.05 1 959 82 83 HIS HA H 5.34 0.05 1 960 82 83 HIS HB2 H 3.60 0.05 2 961 82 83 HIS HB3 H 2.90 0.05 2 962 82 83 HIS C C 172.2 0.5 1 963 82 83 HIS CA C 54.5 0.5 1 964 82 83 HIS CB C 29.6 0.5 1 965 82 83 HIS N N 127.8 0.5 1 966 83 84 CYS H H 8.44 0.05 1 967 83 84 CYS HA H 5.87 0.05 1 968 83 84 CYS HB2 H 2.70 0.05 2 969 83 84 CYS HB3 H 2.43 0.05 2 970 83 84 CYS C C 176.6 0.5 1 971 83 84 CYS CA C 51.5 0.5 1 972 83 84 CYS CB C 40.0 0.5 1 973 83 84 CYS N N 125.1 0.5 1 974 84 85 ASP H H 8.38 0.05 1 975 84 85 ASP HA H 5.57 0.05 1 976 84 85 ASP HB2 H 2.78 0.05 2 977 84 85 ASP HB3 H 2.53 0.05 2 978 84 85 ASP C C 174.5 0.5 1 979 84 85 ASP CA C 53.9 0.5 1 980 84 85 ASP CB C 45.1 0.5 1 981 84 85 ASP N N 122.0 0.5 1 982 85 86 LEU H H 8.82 0.05 1 983 85 86 LEU HA H 3.33 0.05 1 984 85 86 LEU HB2 H 1.51 0.05 1 985 85 86 LEU HB3 H 1.92 0.05 1 986 85 86 LEU HD1 H 0.50 0.05 1 987 85 86 LEU HD2 H 0.79 0.05 1 988 85 86 LEU HG H 1.08 0.05 1 989 85 86 LEU C C 176.5 0.5 1 990 85 86 LEU CA C 55.9 0.5 1 991 85 86 LEU CB C 42.7 0.5 1 992 85 86 LEU CD1 C 22.2 0.5 1 993 85 86 LEU CD2 C 27.4 0.5 1 994 85 86 LEU CG C 27.1 0.5 1 995 85 86 LEU N N 127.9 0.5 1 996 86 87 ILE H H 8.85 0.05 1 997 86 87 ILE HA H 4.07 0.05 1 998 86 87 ILE HB H 1.57 0.05 1 999 86 87 ILE HD1 H 0.71 0.05 1 1000 86 87 ILE HG12 H 1.45 0.05 2 1001 86 87 ILE HG13 H 0.99 0.05 2 1002 86 87 ILE HG2 H 0.89 0.05 1 1003 86 87 ILE C C 175.6 0.5 1 1004 86 87 ILE CA C 62.5 0.5 1 1005 86 87 ILE CB C 38.7 0.5 1 1006 86 87 ILE CD1 C 13.8 0.5 1 1007 86 87 ILE CG1 C 28.1 0.5 1 1008 86 87 ILE CG2 C 17.2 0.5 1 1009 86 87 ILE N N 127.1 0.5 1 1010 87 88 ASN H H 8.50 0.05 1 1011 87 88 ASN HA H 5.09 0.05 1 1012 87 88 ASN HB2 H 2.70 0.05 2 1013 87 88 ASN HB3 H 2.45 0.05 2 1014 87 88 ASN HD21 H 7.53 0.05 1 1015 87 88 ASN HD22 H 7.12 0.05 1 1016 87 88 ASN CA C 51.1 0.5 1 1017 87 88 ASN CB C 36.6 0.5 1 1018 87 88 ASN N N 117.0 0.5 1 1019 87 88 ASN ND2 N 110.4 0.5 1 1020 88 89 PRO HA H 4.30 0.05 1 1021 88 89 PRO HB2 H 2.21 0.05 2 1022 88 89 PRO HB3 H 1.98 0.05 2 1023 88 89 PRO HD2 H 3.67 0.05 2 1024 88 89 PRO HD3 H 3.28 0.05 2 1025 88 89 PRO HG2 H 1.99 0.05 1 1026 88 89 PRO HG3 H 1.94 0.05 1 1027 88 89 PRO C C 177.0 0.5 1 1028 88 89 PRO CA C 63.9 0.5 1 1029 88 89 PRO CB C 31.6 0.5 1 1030 88 89 PRO CD C 50.6 0.5 1 1031 88 89 PRO CG C 27.2 0.5 1 1032 89 90 GLY H H 8.60 0.05 1 1033 89 90 GLY HA2 H 3.87 0.05 1 1034 89 90 GLY HA3 H 3.91 0.05 1 1035 89 90 GLY C C 174.2 0.5 1 1036 89 90 GLY CA C 44.8 0.5 1 1037 89 90 GLY N N 109.1 0.5 1 1038 90 91 ALA H H 7.73 0.05 1 1039 90 91 ALA HA H 4.19 0.05 1 1040 90 91 ALA HB H 1.41 0.05 1 1041 90 91 ALA C C 177.9 0.5 1 1042 90 91 ALA CA C 53.0 0.5 1 1043 90 91 ALA CB C 18.7 0.5 1 1044 90 91 ALA N N 124.7 0.5 1 1045 91 92 GLN H H 8.58 0.05 1 1046 91 92 GLN HA H 4.21 0.05 1 1047 91 92 GLN HB2 H 2.21 0.05 2 1048 91 92 GLN HB3 H 2.00 0.05 2 1049 91 92 GLN HE21 H 7.48 0.05 2 1050 91 92 GLN HE22 H 6.87 0.05 2 1051 91 92 GLN HG2 H 2.47 0.05 2 1052 91 92 GLN HG3 H 2.41 0.05 2 1053 91 92 GLN C C 175.2 0.5 1 1054 91 92 GLN CA C 56.6 0.5 1 1055 91 92 GLN CB C 29.2 0.5 1 1056 91 92 GLN CG C 34.0 0.5 1 1057 91 92 GLN N N 121.5 0.5 1 1058 91 92 GLN NE2 N 113.0 0.5 1 1059 92 93 ASN H H 7.80 0.05 1 1060 92 93 ASN HA H 4.91 0.05 1 1061 92 93 ASN HB2 H 2.89 0.05 2 1062 92 93 ASN HB3 H 2.80 0.05 2 1063 92 93 ASN HD21 H 7.63 0.05 2 1064 92 93 ASN HD22 H 6.95 0.05 2 1065 92 93 ASN C C 176.2 0.5 1 1066 92 93 ASN CA C 51.9 0.5 1 1067 92 93 ASN CB C 39.8 0.5 1 1068 92 93 ASN N N 117.1 0.5 1 1069 92 93 ASN ND2 N 114.2 0.5 1 1070 93 94 ILE H H 8.54 0.05 1 1071 93 94 ILE HA H 4.22 0.05 1 1072 93 94 ILE HB H 1.90 0.05 1 1073 93 94 ILE HD1 H 0.74 0.05 1 1074 93 94 ILE HG12 H 1.46 0.05 2 1075 93 94 ILE HG13 H 1.32 0.05 2 1076 93 94 ILE HG2 H 0.89 0.05 1 1077 93 94 ILE C C 178.1 0.5 1 1078 93 94 ILE CA C 63.1 0.5 1 1079 93 94 ILE CB C 38.5 0.5 1 1080 93 94 ILE CD1 C 14.0 0.5 1 1081 93 94 ILE CG1 C 26.9 0.5 1 1082 93 94 ILE CG2 C 18.4 0.5 1 1083 93 94 ILE N N 121.3 0.5 1 1084 94 95 SER H H 8.51 0.05 1 1085 94 95 SER HA H 4.24 0.05 1 1086 94 95 SER HB2 H 3.89 0.05 2 1087 94 95 SER HB3 H 3.85 0.05 2 1088 94 95 SER C C 175.3 0.5 1 1089 94 95 SER CA C 60.2 0.5 1 1090 94 95 SER CB C 62.8 0.5 1 1091 94 95 SER N N 117.2 0.5 1 1092 95 96 ASN H H 8.21 0.05 1 1093 95 96 ASN HA H 4.89 0.05 1 1094 95 96 ASN HB2 H 3.02 0.05 2 1095 95 96 ASN HB3 H 2.76 0.05 2 1096 95 96 ASN HD21 H 7.65 0.05 2 1097 95 96 ASN HD22 H 7.01 0.05 2 1098 95 96 ASN C C 175.5 0.5 1 1099 95 96 ASN CA C 52.6 0.5 1 1100 95 96 ASN CB C 39.3 0.5 1 1101 95 96 ASN N N 118.8 0.5 1 1102 95 96 ASN ND2 N 112.2 0.5 1 1103 96 97 CYS H H 7.59 0.05 1 1104 96 97 CYS HA H 4.08 0.05 1 1105 96 97 CYS HB2 H 3.17 0.05 2 1106 96 97 CYS HB3 H 3.12 0.05 2 1107 96 97 CYS C C 173.6 0.5 1 1108 96 97 CYS CA C 55.9 0.5 1 1109 96 97 CYS CB C 42.4 0.5 1 1110 96 97 CYS N N 120.3 0.5 1 1111 97 98 ARG H H 9.78 0.05 1 1112 97 98 ARG HA H 4.78 0.05 1 1113 97 98 ARG HB2 H 1.73 0.05 2 1114 97 98 ARG HB3 H 1.53 0.05 2 1115 97 98 ARG HD2 H 3.26 0.05 2 1116 97 98 ARG HD3 H 3.18 0.05 2 1117 97 98 ARG HE H 7.16 0.05 1 1118 97 98 ARG HG2 H 1.69 0.05 2 1119 97 98 ARG HG3 H 1.54 0.05 2 1120 97 98 ARG C C 173.6 0.5 1 1121 97 98 ARG CA C 55.3 0.5 1 1122 97 98 ARG CB C 32.9 0.5 1 1123 97 98 ARG CD C 43.0 0.5 1 1124 97 98 ARG CG C 27.8 0.5 1 1125 97 98 ARG N N 128.9 0.5 1 1126 97 98 ARG NE N 84.3 0.5 1 1127 98 99 TYR H H 8.37 0.05 1 1128 98 99 TYR HA H 5.21 0.05 1 1129 98 99 TYR HB2 H 2.62 0.05 1 1130 98 99 TYR HB3 H 2.30 0.05 1 1131 98 99 TYR HD1 H 6.53 0.05 3 1132 98 99 TYR HD2 H 6.53 0.05 3 1133 98 99 TYR HE1 H 6.69 0.05 3 1134 98 99 TYR HE2 H 6.69 0.05 3 1135 98 99 TYR HH H 10.95 0.05 1 1136 98 99 TYR C C 174.7 0.5 1 1137 98 99 TYR CA C 56.4 0.5 1 1138 98 99 TYR CB C 44.6 0.5 1 1139 98 99 TYR N N 119.0 0.5 1 1140 99 100 ALA H H 9.51 0.05 1 1141 99 100 ALA HA H 4.77 0.05 1 1142 99 100 ALA HB H 1.50 0.05 1 1143 99 100 ALA C C 176.7 0.5 1 1144 99 100 ALA CA C 50.8 0.5 1 1145 99 100 ALA CB C 20.2 0.5 1 1146 99 100 ALA N N 126.7 0.5 1 1147 100 101 ASP H H 8.39 0.05 1 1148 100 101 ASP HA H 5.28 0.05 1 1149 100 101 ASP HB2 H 2.72 0.05 2 1150 100 101 ASP HB3 H 2.40 0.05 2 1151 100 101 ASP C C 176.4 0.5 1 1152 100 101 ASP CA C 54.9 0.5 1 1153 100 101 ASP CB C 43.6 0.5 1 1154 100 101 ASP N N 121.8 0.5 1 1155 101 102 ARG H H 9.19 0.05 1 1156 101 102 ARG HA H 5.12 0.05 1 1157 101 102 ARG HB2 H 1.99 0.05 2 1158 101 102 ARG HB3 H 1.91 0.05 2 1159 101 102 ARG HD2 H 3.29 0.05 2 1160 101 102 ARG HD3 H 3.22 0.05 2 1161 101 102 ARG HE H 7.58 0.05 1 1162 101 102 ARG HG2 H 1.79 0.05 2 1163 101 102 ARG HG3 H 1.65 0.05 2 1164 101 102 ARG CA C 53.2 0.5 1 1165 101 102 ARG CB C 31.6 0.5 1 1166 101 102 ARG CD C 43.3 0.5 1 1167 101 102 ARG CG C 27.0 0.5 1 1168 101 102 ARG N N 123.1 0.5 1 1169 101 102 ARG NE N 85.8 0.5 1 1170 102 103 PRO HA H 5.15 0.05 1 1171 102 103 PRO HB2 H 2.50 0.05 2 1172 102 103 PRO HB3 H 2.18 0.05 2 1173 102 103 PRO HD2 H 3.95 0.05 2 1174 102 103 PRO HD3 H 3.47 0.05 2 1175 102 103 PRO HG2 H 2.13 0.05 2 1176 102 103 PRO HG3 H 2.11 0.05 2 1177 102 103 PRO C C 176.1 0.5 1 1178 102 103 PRO CA C 62.5 0.5 1 1179 102 103 PRO CB C 32.7 0.5 1 1180 102 103 PRO CD C 50.7 0.5 1 1181 102 103 PRO CG C 26.9 0.5 1 1182 103 104 GLY H H 8.08 0.05 1 1183 103 104 GLY HA2 H 4.39 0.05 2 1184 103 104 GLY HA3 H 3.91 0.05 2 1185 103 104 GLY C C 172.1 0.5 1 1186 103 104 GLY CA C 45.4 0.5 1 1187 103 104 GLY N N 106.6 0.5 1 1188 104 105 ARG H H 8.66 0.05 1 1189 104 105 ARG HA H 5.13 0.05 1 1190 104 105 ARG HB2 H 1.66 0.05 2 1191 104 105 ARG HB3 H 1.58 0.05 2 1192 104 105 ARG HD2 H 3.12 0.05 1 1193 104 105 ARG HD3 H 3.12 0.05 1 1194 104 105 ARG HE H 7.27 0.05 1 1195 104 105 ARG HG2 H 1.21 0.05 2 1196 104 105 ARG HG3 H 1.07 0.05 2 1197 104 105 ARG C C 174.9 0.5 1 1198 104 105 ARG CA C 56.3 0.5 1 1199 104 105 ARG CB C 31.5 0.5 1 1200 104 105 ARG CD C 43.2 0.5 1 1201 104 105 ARG CG C 27.8 0.5 1 1202 104 105 ARG N N 123.8 0.5 1 1203 104 105 ARG NE N 84.5 0.5 1 1204 105 106 ARG H H 8.15 0.05 1 1205 105 106 ARG HA H 4.93 0.05 1 1206 105 106 ARG HB2 H 2.46 0.05 2 1207 105 106 ARG HB3 H 1.47 0.05 2 1208 105 106 ARG HD2 H 3.13 0.05 2 1209 105 106 ARG HD3 H 3.00 0.05 2 1210 105 106 ARG HE H 7.27 0.05 1 1211 105 106 ARG HG2 H 1.71 0.05 2 1212 105 106 ARG HG3 H 1.53 0.05 2 1213 105 106 ARG C C 176.9 0.5 1 1214 105 106 ARG CA C 54.8 0.5 1 1215 105 106 ARG CB C 37.0 0.5 1 1216 105 106 ARG CD C 43.9 0.5 1 1217 105 106 ARG CG C 27.8 0.5 1 1218 105 106 ARG N N 122.7 0.5 1 1219 105 106 ARG NE N 83.7 0.5 1 1220 106 107 PHE H H 8.80 0.05 1 1221 106 107 PHE HA H 4.46 0.05 1 1222 106 107 PHE HB2 H 2.96 0.05 1 1223 106 107 PHE HB3 H 2.86 0.05 1 1224 106 107 PHE HD1 H 7.13 0.05 3 1225 106 107 PHE HD2 H 7.13 0.05 3 1226 106 107 PHE HE1 H 7.27 0.05 3 1227 106 107 PHE HE2 H 7.27 0.05 3 1228 106 107 PHE C C 175.7 0.5 1 1229 106 107 PHE CA C 58.6 0.5 1 1230 106 107 PHE CB C 39.5 0.5 1 1231 106 107 PHE N N 120.2 0.5 1 1232 107 108 TYR H H 8.40 0.05 1 1233 107 108 TYR HA H 5.49 0.05 1 1234 107 108 TYR HB2 H 2.94 0.05 1 1235 107 108 TYR HB3 H 2.66 0.05 1 1236 107 108 TYR HD1 H 6.94 0.05 3 1237 107 108 TYR HD2 H 6.94 0.05 3 1238 107 108 TYR HE1 H 6.78 0.05 3 1239 107 108 TYR HE2 H 6.78 0.05 3 1240 107 108 TYR CA C 55.2 0.5 1 1241 107 108 TYR CB C 42.0 0.5 1 1242 107 108 TYR N N 115.6 0.5 1 1243 108 109 VAL H H 8.47 0.05 1 1244 108 109 VAL HA H 5.21 0.05 1 1245 108 109 VAL HB H 2.02 0.05 1 1246 108 109 VAL HG1 H 0.84 0.05 1 1247 108 109 VAL HG2 H 0.75 0.05 1 1248 108 109 VAL C C 175.6 0.5 1 1249 108 109 VAL CA C 60.5 0.5 1 1250 108 109 VAL CB C 33.5 0.5 1 1251 108 109 VAL CG1 C 22.5 0.5 1 1252 108 109 VAL CG2 C 20.7 0.5 1 1253 108 109 VAL N N 119.2 0.5 1 1254 109 110 VAL H H 8.97 0.05 1 1255 109 110 VAL HA H 5.29 0.05 1 1256 109 110 VAL HB H 1.98 0.05 1 1257 109 110 VAL HG1 H 1.03 0.05 2 1258 109 110 VAL HG2 H 0.86 0.05 2 1259 109 110 VAL C C 173.9 0.5 1 1260 109 110 VAL CA C 57.6 0.5 1 1261 109 110 VAL CB C 34.9 0.5 1 1262 109 110 VAL CG1 C 22.2 0.5 1 1263 109 110 VAL CG2 C 18.9 0.5 1 1264 109 110 VAL N N 120.8 0.5 1 1265 110 111 ALA H H 8.95 0.05 1 1266 110 111 ALA HA H 5.26 0.05 1 1267 110 111 ALA HB H 1.47 0.05 1 1268 110 111 ALA C C 177.5 0.5 1 1269 110 111 ALA CA C 50.8 0.5 1 1270 110 111 ALA CB C 20.2 0.5 1 1271 110 111 ALA N N 126.4 0.5 1 1272 111 112 CYS H H 8.47 0.05 1 1273 111 112 CYS HA H 5.79 0.05 1 1274 111 112 CYS HB2 H 3.36 0.05 2 1275 111 112 CYS HB3 H 2.58 0.05 2 1276 111 112 CYS CA C 54.7 0.5 1 1277 111 112 CYS CB C 48.1 0.5 1 1278 111 112 CYS N N 119.1 0.5 1 1279 112 113 ASP H H 9.15 0.05 1 1280 112 113 ASP HA H 5.13 0.05 1 1281 112 113 ASP HB2 H 2.74 0.05 2 1282 112 113 ASP HB3 H 2.47 0.05 2 1283 112 113 ASP C C 174.3 0.5 1 1284 112 113 ASP CA C 51.8 0.5 1 1285 112 113 ASP CB C 45.3 0.5 1 1286 112 113 ASP N N 122.2 0.5 1 1287 113 114 ASN H H 8.95 0.05 1 1288 113 114 ASN HA H 5.01 0.05 1 1289 113 114 ASN HB2 H 2.99 0.05 2 1290 113 114 ASN HB3 H 2.67 0.05 2 1291 113 114 ASN HD21 H 7.77 0.05 2 1292 113 114 ASN HD22 H 7.00 0.05 2 1293 113 114 ASN C C 176.4 0.5 1 1294 113 114 ASN CA C 53.9 0.5 1 1295 113 114 ASN CB C 38.6 0.5 1 1296 113 114 ASN N N 119.4 0.5 1 1297 113 114 ASN ND2 N 113.6 0.5 1 1298 114 115 ARG H H 8.20 0.05 1 1299 114 115 ARG HA H 4.23 0.05 1 1300 114 115 ARG HB2 H 2.23 0.05 1 1301 114 115 ARG HB3 H 2.14 0.05 1 1302 114 115 ARG HD2 H 3.26 0.05 2 1303 114 115 ARG HD3 H 2.91 0.05 2 1304 114 115 ARG HE H 7.13 0.05 1 1305 114 115 ARG HG2 H 1.80 0.05 2 1306 114 115 ARG HG3 H 1.32 0.05 2 1307 114 115 ARG C C 174.8 0.5 1 1308 114 115 ARG CA C 55.9 0.5 1 1309 114 115 ARG CB C 29.2 0.5 1 1310 114 115 ARG CD C 43.1 0.5 1 1311 114 115 ARG CG C 26.6 0.5 1 1312 114 115 ARG N N 119.6 0.5 1 1313 114 115 ARG NE N 85.1 0.5 1 1314 115 116 ASP H H 9.53 0.05 1 1315 115 116 ASP HA H 5.01 0.05 1 1316 115 116 ASP HB2 H 2.84 0.05 2 1317 115 116 ASP HB3 H 2.82 0.05 2 1318 115 116 ASP CA C 52.1 0.5 1 1319 115 116 ASP CB C 43.5 0.5 1 1320 115 116 ASP N N 126.1 0.5 1 1321 116 117 PRO HA H 4.34 0.05 1 1322 116 117 PRO HB2 H 2.45 0.05 2 1323 116 117 PRO HB3 H 1.93 0.05 2 1324 116 117 PRO HD2 H 3.87 0.05 2 1325 116 117 PRO HD3 H 3.75 0.05 2 1326 116 117 PRO HG2 H 2.14 0.05 2 1327 116 117 PRO HG3 H 2.07 0.05 2 1328 116 117 PRO C C 177.6 0.5 1 1329 116 117 PRO CA C 65.5 0.5 1 1330 116 117 PRO CB C 32.0 0.5 1 1331 116 117 PRO CD C 50.7 0.5 1 1332 116 117 PRO CG C 27.6 0.5 1 1333 117 118 ARG H H 9.24 0.05 1 1334 117 118 ARG HA H 4.29 0.05 1 1335 117 118 ARG HB2 H 1.97 0.05 2 1336 117 118 ARG HB3 H 1.66 0.05 2 1337 117 118 ARG HD2 H 3.24 0.05 2 1338 117 118 ARG HD3 H 3.20 0.05 2 1339 117 118 ARG HE H 7.34 0.05 1 1340 117 118 ARG HG2 H 1.74 0.05 2 1341 117 118 ARG HG3 H 1.67 0.05 2 1342 117 118 ARG C C 178.4 0.5 1 1343 117 118 ARG CA C 56.6 0.5 1 1344 117 118 ARG CB C 30.3 0.5 1 1345 117 118 ARG CD C 43.5 0.5 1 1346 117 118 ARG CG C 27.2 0.5 1 1347 117 118 ARG N N 114.5 0.5 1 1348 117 118 ARG NE N 85.5 0.5 1 1349 118 119 ASP H H 8.16 0.05 1 1350 118 119 ASP HA H 4.79 0.05 1 1351 118 119 ASP HB2 H 3.23 0.05 2 1352 118 119 ASP HB3 H 3.14 0.05 2 1353 118 119 ASP C C 176.5 0.5 1 1354 118 119 ASP CA C 55.1 0.5 1 1355 118 119 ASP CB C 42.8 0.5 1 1356 118 119 ASP N N 120.5 0.5 1 1357 119 120 SER H H 8.35 0.05 1 1358 119 120 SER HA H 4.68 0.05 1 1359 119 120 SER HB2 H 4.26 0.05 1 1360 119 120 SER HB3 H 3.84 0.05 1 1361 119 120 SER CA C 56.2 0.5 1 1362 119 120 SER CB C 63.9 0.5 1 1363 119 120 SER N N 114.7 0.5 1 1364 120 121 PRO HA H 4.17 0.05 1 1365 120 121 PRO HB2 H 2.25 0.05 2 1366 120 121 PRO HB3 H 1.96 0.05 2 1367 120 121 PRO HD2 H 3.92 0.05 1 1368 120 121 PRO HD3 H 3.83 0.05 1 1369 120 121 PRO HG2 H 2.00 0.05 2 1370 120 121 PRO HG3 H 1.98 0.05 2 1371 120 121 PRO C C 176.4 0.5 1 1372 120 121 PRO CA C 63.5 0.5 1 1373 120 121 PRO CB C 31.6 0.5 1 1374 120 121 PRO CD C 51.2 0.5 1 1375 120 121 PRO CG C 27.0 0.5 1 1376 121 122 ARG H H 7.70 0.05 1 1377 121 122 ARG HA H 3.79 0.05 1 1378 121 122 ARG HB2 H 1.29 0.05 2 1379 121 122 ARG HB3 H 1.06 0.05 2 1380 121 122 ARG HD2 H 2.96 0.05 2 1381 121 122 ARG HD3 H 2.90 0.05 2 1382 121 122 ARG HE H 6.96 0.05 1 1383 121 122 ARG HG2 H 1.04 0.05 2 1384 121 122 ARG HG3 H 1.00 0.05 2 1385 121 122 ARG C C 175.3 0.5 1 1386 121 122 ARG CA C 58.1 0.5 1 1387 121 122 ARG CB C 30.2 0.5 1 1388 121 122 ARG CD C 42.9 0.5 1 1389 121 122 ARG CG C 26.5 0.5 1 1390 121 122 ARG N N 117.4 0.5 1 1391 121 122 ARG NE N 84.5 0.5 1 1392 122 123 TYR H H 6.66 0.05 1 1393 122 123 TYR HA H 5.47 0.05 1 1394 122 123 TYR HB2 H 3.12 0.05 1 1395 122 123 TYR HB3 H 3.01 0.05 1 1396 122 123 TYR HD1 H 7.34 0.05 3 1397 122 123 TYR HD2 H 7.34 0.05 3 1398 122 123 TYR HE1 H 6.95 0.05 3 1399 122 123 TYR HE2 H 6.95 0.05 3 1400 122 123 TYR CA C 52.1 0.5 1 1401 122 123 TYR CB C 38.6 0.5 1 1402 122 123 TYR N N 114.5 0.5 1 1403 123 124 PRO HA H 4.19 0.05 1 1404 123 124 PRO HB2 H 2.48 0.05 2 1405 123 124 PRO HB3 H 2.05 0.05 2 1406 123 124 PRO HD2 H 4.07 0.05 1 1407 123 124 PRO HD3 H 3.70 0.05 1 1408 123 124 PRO HG2 H 2.13 0.05 2 1409 123 124 PRO HG3 H 2.07 0.05 2 1410 123 124 PRO C C 176.9 0.5 1 1411 123 124 PRO CA C 64.9 0.5 1 1412 123 124 PRO CB C 32.5 0.5 1 1413 123 124 PRO CD C 50.9 0.5 1 1414 123 124 PRO CG C 27.2 0.5 1 1415 124 125 VAL H H 7.92 0.05 1 1416 124 125 VAL HA H 4.56 0.05 1 1417 124 125 VAL HB H 1.72 0.05 1 1418 124 125 VAL HG1 H 0.70 0.05 1 1419 124 125 VAL HG2 H 0.84 0.05 1 1420 124 125 VAL C C 174.3 0.5 1 1421 124 125 VAL CA C 61.3 0.5 1 1422 124 125 VAL CB C 34.0 0.5 1 1423 124 125 VAL CG1 C 21.6 0.5 1 1424 124 125 VAL CG2 C 20.6 0.5 1 1425 124 125 VAL N N 119.1 0.5 1 1426 125 126 VAL H H 8.83 0.05 1 1427 125 126 VAL HA H 4.75 0.05 1 1428 125 126 VAL HB H 2.09 0.05 1 1429 125 126 VAL HG1 H 1.07 0.05 1 1430 125 126 VAL HG2 H 0.80 0.05 1 1431 125 126 VAL CA C 56.5 0.5 1 1432 125 126 VAL CB C 34.3 0.5 1 1433 125 126 VAL CG1 C 23.7 0.5 1 1434 125 126 VAL CG2 C 17.9 0.5 1 1435 125 126 VAL N N 115.0 0.5 1 1436 126 127 PRO HA H 4.58 0.05 1 1437 126 127 PRO HB2 H 0.02 0.05 1 1438 126 127 PRO HB3 H 1.07 0.05 1 1439 126 127 PRO HD2 H 2.82 0.05 1 1440 126 127 PRO HD3 H 3.27 0.05 1 1441 126 127 PRO HG2 H 1.83 0.05 2 1442 126 127 PRO HG3 H 1.03 0.05 2 1443 126 127 PRO C C 174.9 0.5 1 1444 126 127 PRO CA C 61.3 0.5 1 1445 126 127 PRO CB C 31.3 0.5 1 1446 126 127 PRO CD C 49.7 0.5 1 1447 126 127 PRO CG C 27.3 0.5 1 1448 127 128 VAL H H 8.43 0.05 1 1449 127 128 VAL HA H 4.54 0.05 1 1450 127 128 VAL HB H 2.24 0.05 1 1451 127 128 VAL HG1 H 0.84 0.05 2 1452 127 128 VAL HG2 H 0.66 0.05 2 1453 127 128 VAL C C 173.6 0.5 1 1454 127 128 VAL CA C 60.0 0.5 1 1455 127 128 VAL CB C 34.6 0.5 1 1456 127 128 VAL CG1 C 22.8 0.5 1 1457 127 128 VAL CG2 C 17.5 0.5 1 1458 127 128 VAL N N 105.8 0.5 1 1459 128 129 HIS H H 7.44 0.05 1 1460 128 129 HIS HA H 5.48 0.05 1 1461 128 129 HIS HB2 H 3.47 0.05 1 1462 128 129 HIS HB3 H 3.01 0.05 1 1463 128 129 HIS C C 172.9 0.5 1 1464 128 129 HIS CA C 55.2 0.5 1 1465 128 129 HIS CB C 32.0 0.5 1 1466 128 129 HIS N N 118.2 0.5 1 1467 129 130 LEU H H 9.00 0.05 1 1468 129 130 LEU HA H 4.63 0.05 1 1469 129 130 LEU HB2 H 1.40 0.05 2 1470 129 130 LEU HB3 H 0.48 0.05 2 1471 129 130 LEU HD1 H 0.82 0.05 2 1472 129 130 LEU HD2 H 0.30 0.05 2 1473 129 130 LEU HG H 1.18 0.05 1 1474 129 130 LEU C C 172.8 0.5 1 1475 129 130 LEU CA C 53.9 0.5 1 1476 129 130 LEU CB C 41.4 0.5 1 1477 129 130 LEU CD1 C 23.5 0.5 1 1478 129 130 LEU CD2 C 25.5 0.5 1 1479 129 130 LEU CG C 26.6 0.5 1 1480 129 130 LEU N N 131.3 0.5 1 1481 130 131 ASP H H 8.83 0.05 1 1482 130 131 ASP HA H 4.45 0.05 1 1483 130 131 ASP HB2 H 2.45 0.05 2 1484 130 131 ASP HB3 H 2.41 0.05 2 1485 130 131 ASP C C 175.5 0.5 1 1486 130 131 ASP CA C 57.1 0.5 1 1487 130 131 ASP CB C 45.1 0.5 1 1488 130 131 ASP N N 129.4 0.5 1 1489 131 132 THR H H 7.50 0.05 1 1490 131 132 THR HA H 4.58 0.05 1 1491 131 132 THR HB H 4.17 0.05 1 1492 131 132 THR HG2 H 0.99 0.05 1 1493 131 132 THR C C 172.2 0.5 1 1494 131 132 THR CA C 60.8 0.5 1 1495 131 132 THR CB C 68.6 0.5 1 1496 131 132 THR CG2 C 19.1 0.5 1 1497 131 132 THR N N 106.7 0.5 1 1498 132 133 THR H H 8.13 0.05 1 1499 132 133 THR HA H 5.21 0.05 1 1500 132 133 THR HB H 4.14 0.05 1 1501 132 133 THR HG2 H 1.17 0.05 1 1502 132 133 THR C C 173.0 0.5 1 1503 132 133 THR CA C 60.2 0.5 1 1504 132 133 THR CB C 71.3 0.5 1 1505 132 133 THR CG2 C 21.6 0.5 1 1506 132 133 THR N N 113.1 0.5 1 1507 133 134 ILE H H 8.54 0.05 1 1508 133 134 ILE HA H 4.19 0.05 1 1509 133 134 ILE HB H 1.68 0.05 1 1510 133 134 ILE HD1 H 0.67 0.05 1 1511 133 134 ILE HG12 H 1.27 0.05 2 1512 133 134 ILE HG13 H 1.02 0.05 2 1513 133 134 ILE HG2 H 0.97 0.05 1 1514 133 134 ILE CA C 63.9 0.5 1 1515 133 134 ILE CB C 42.0 0.5 1 1516 133 134 ILE CD1 C 13.8 0.5 1 1517 133 134 ILE CG1 C 27.5 0.5 1 1518 133 134 ILE CG2 C 17.7 0.5 1 1519 133 134 ILE N N 126.4 0.5 1 stop_ save_