data_6928 #Corrected using PDB structure: 2HW0A # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 5 N HA 4.46 5.23 # 48 G HA 3.85 4.67 # 66 K HA 3.58 4.66 # 73 K HA 3.40 4.10 # 89 D HA 3.88 4.59 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #114 Q CB 29.82 35.87 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #110 R H 9.55 7.40 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.00 -0.34 0.10 -0.34 0.36 -0.02 # #bmr6928.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6928.str file): #HA CA CB CO N HN #N/A -0.12 -0.12 -0.34 +0.36 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.16 +/-0.15 +/-0.16 +/-0.39 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.836 0.966 0.993 0.776 0.806 0.578 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.146 0.856 0.753 0.829 1.983 0.324 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N NMR Assignment of the Rep Protein Nuclease Domain from the Porcine Circovirus PCV2 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vega Susana . . 2 Campos-Olivas Ramon . . stop_ _BMRB_accession_number 6928 _BMRB_flat_file_name bmr6928.str _Entry_type new _Submission_date 2005-12-21 _Accession_date 2005-12-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 498 "1H chemical shifts" 674 "15N chemical shifts" 125 stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_title ; (1)H, (13)C, and (15)N NMR Assignment of the Rep Protein Nuclease Domain from the Porcine Circovirus PCV2 ; _Citation_status published _Citation_type journal _PubMed_ID 16636755 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rocha Susana V. . 2 Campos-Olivas Ramon . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year 2006 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PCV2 _Abbreviation_common PCV2 loop_ _Mol_system_component_name _Mol_label PCV2 $PCV2_Rep_(2-116) stop_ _System_molecular_weight 13251.9 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_PCV2_Rep_(2-116) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "N-terminal DNA binding domain of Rep protein from the circovirus PCV2" _Name_variant "PCV2 Rep (2-116)" _Abbreviation_common "PCV2 Rep (2-116)" _Molecular_mass 13251.9 _Mol_thiol_state "all free" loop_ _Biological_function "Initiation of circovirus replication (nuclease)" "Termination of replication (ligase)" "Genome replication specificity determinant" stop_ loop_ _Synonym "Rep(2-116) of porcine circovirus 2" stop_ ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; PSKKNGRSGPQPHKRWVFTL NNPSEDERKKIRDLPISLFD YFIVGEEGNEEGRTPHLQGF ANFVKKQTFNKVKWYLGARC HIEKAKGTDQQNKEYCSKEG NLLMECGAPRSQGQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 PRO 2 3 SER 3 4 LYS 4 5 LYS 5 6 ASN 6 7 GLY 7 8 ARG 8 9 SER 9 10 GLY 10 11 PRO 11 12 GLN 12 13 PRO 13 14 HIS 14 15 LYS 15 16 ARG 16 17 TRP 17 18 VAL 18 19 PHE 19 20 THR 20 21 LEU 21 22 ASN 22 23 ASN 23 24 PRO 24 25 SER 25 26 GLU 26 27 ASP 27 28 GLU 28 29 ARG 29 30 LYS 30 31 LYS 31 32 ILE 32 33 ARG 33 34 ASP 34 35 LEU 35 36 PRO 36 37 ILE 37 38 SER 38 39 LEU 39 40 PHE 40 41 ASP 41 42 TYR 42 43 PHE 43 44 ILE 44 45 VAL 45 46 GLY 46 47 GLU 47 48 GLU 48 49 GLY 49 50 ASN 50 51 GLU 51 52 GLU 52 53 GLY 53 54 ARG 54 55 THR 55 56 PRO 56 57 HIS 57 58 LEU 58 59 GLN 59 60 GLY 60 61 PHE 61 62 ALA 62 63 ASN 63 64 PHE 64 65 VAL 65 66 LYS 66 67 LYS 67 68 GLN 68 69 THR 69 70 PHE 70 71 ASN 71 72 LYS 72 73 VAL 73 74 LYS 74 75 TRP 75 76 TYR 76 77 LEU 77 78 GLY 78 79 ALA 79 80 ARG 80 81 CYS 81 82 HIS 82 83 ILE 83 84 GLU 84 85 LYS 85 86 ALA 86 87 LYS 87 88 GLY 88 89 THR 89 90 ASP 90 91 GLN 91 92 GLN 92 93 ASN 93 94 LYS 94 95 GLU 95 96 TYR 96 97 CYS 97 98 SER 98 99 LYS 99 100 GLU 100 101 GLY 101 102 ASN 102 103 LEU 103 104 LEU 104 105 MET 105 106 GLU 106 107 CYS 107 108 GLY 108 109 ALA 109 110 PRO 110 111 ARG 111 112 SER 112 113 GLN 113 114 GLY 114 115 GLN 115 116 ARG stop_ _Sequence_homology_query_date 2006-06-22 _Sequence_homology_query_revised_last_date 2006-05-11 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 DBJ BAB69437.1 "ORF1 [Porcine circovirus type 2]" 36.62 314 99 100 10e-65 DBJ BAB69432.1 "ORF1 [Porcine circovirus type 2]" 36.62 314 98 100 4e-64 EMBL CAF25171.1 "replicase [synthetic construct]" 36.62 314 100 100 5e-65 EMBL CAJ31064.1 "replication protein [Porcine circovirus2]" 36.62 314 100 100 5e-65 EMBL CAC41085.1 "replication-associated protein [Porcinecircovirus]" 36.62 314 99 100 10e-65 EMBL CAA11157.1 "unnamed protein product [Porcinecircovirus]" 36.62 314 98 100 4e-64 EMBL CAC41084.1 "replication-associated protein [Porcinecircovirus]" 36.62 314 98 100 4e-64 GenBank AAP51128.1 "replicase [Porcine circovirus]" 36.62 314 100 100 5e-65 GenBank AAP83597.1 "replicase [Porcine circovirus 2]" 36.62 314 100 100 5e-65 GenBank AAS90297.1 "replicase [Porcine circovirus 2]" 36.62 314 100 100 5e-65 GenBank AAT36358.1 "replicase protein [Porcine circovirus 2]" 36.62 314 100 100 5e-65 GenBank AAT97648.1 "rep [Porcine circovirus 2]" 36.62 314 100 100 5e-65 REF NP_048061.1 "putative Rep and coat protein [Bovinecircovirus]" 36.62 314 98 100 4e-64 REF NP_937956.1 "replicase [Porcine circovirus 2]" 36.62 314 98 99 4e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PCV2_Rep_(2-116) "Porcine circovirus 2" 46221 Viruses "Not applicable" Circovirus "Porcine circovirus 2" stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $PCV2_Rep_(2-116) "recombinant technology" E.coli ? ? "BL21 Rosetta (DE3) plysS" pET pET3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PCV2_Rep_(2-116) 0.8 M "[U-10% 13C; U-15N]" "Sodium phosphate" 20 mM ? NaCl 100 mM ? DTT 1 mM ? D2O 8 % ? stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PCV2_Rep_(2-116) 0.8 M "[U-10% 13C; U-15N]" "Sodium phosphate" 20 mM ? NaCl 100 mM ? DTT 1 mM ? D2O 100 % ? stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PCV2_Rep_(2-116) 0.8 M "[U-13C; U-15N]" "Sodium phosphate" 20 mM ? NaCl 100 mM ? DTT 1 mM ? D2O 8 % ? stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PCV2_Rep_(2-116) 0.8 M "[U-13C; U-15N]" "Sodium phosphate" 20 mM ? NaCl 100 mM ? DTT 1 mM ? D2O 100 % ? stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version 5.0.20 save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 97.027.12.56 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model "AMX Avance" _Field_strength 600 save_ save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model "AMX Avance" _Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_2D_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H15N HSQC" _Sample_label ? save_ save_2D_1H15N_HSQC_long_range _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H15N HSQC long range" _Sample_label ? save_ save_2D_1H13C_HSQC/HMQC _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H13C HSQC/HMQC" _Sample_label ? save_ save_2D_HNCOCG_arom _Saveframe_category NMR_applied_experiment _Experiment_name "2D HNCOCG arom" _Sample_label ? save_ save_2D_HNCO_arom _Saveframe_category NMR_applied_experiment _Experiment_name "2D HNCO arom" _Sample_label ? save_ save_3D_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCO" _Sample_label ? save_ save_3D_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCACB" _Sample_label ? save_ save_3D_CBCA_(CO)_NH _Saveframe_category NMR_applied_experiment _Experiment_name "3D CBCA (CO) NH" _Sample_label ? save_ save_3D_HNHA _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNHA" _Sample_label ? save_ save_3D_HNHB _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNHB" _Sample_label ? save_ save_3D_15N_edited_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name "3D 15N edited NOESY" _Sample_label ? save_ save_4D_15N,_13C_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name "4D 15N, 13C NOESY" _Sample_label ? save_ save_4D_13C,_13C_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name "4D 13C, 13C NOESY" _Sample_label ? save_ save_3D_HCACO _Saveframe_category NMR_applied_experiment _Experiment_name "3D HCACO" _Sample_label ? save_ save_3D_CC_(CO)_NH _Saveframe_category NMR_applied_experiment _Experiment_name "3D CC (CO) NH" _Sample_label ? save_ save_HCCH_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name "HCCH TOCSY" _Sample_label ? save_ save_3D_15N_edited_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name "3D 15N edited TOCSY" _Sample_label ? save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; 20 mM Sodium phosphate 0.1 M NaCl 1 mM DTT ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 0.1 pH temperature 298 0.5 K "ionic strength" 0.264 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference 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 C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Software_label $software_1 stop_ loop_ _Experiment_label $2D_1H15N_HSQC $2D_1H15N_HSQC_long_range $2D_1H13C_HSQC/HMQC $2D_HNCOCG_arom $2D_HNCO_arom $3D_HNCO $3D_HNCACB $3D_CBCA_(CO)_NH $3D_HNHA $3D_HNHB $3D_15N_edited_NOESY $4D_15N,_13C_NOESY $4D_13C,_13C_NOESY $3D_HCACO $3D_CC_(CO)_NH $3D_15N_edited_TOCSY $HCCH_TOCSY stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_3 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PCV2 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 LYS C C 175.95 0.1 1 2 3 LYS CA C 56.18 0.1 1 3 3 LYS CB C 33.10 0.1 1 4 3 LYS CG C 24.71 0.1 1 5 3 LYS CD C 28.98 0.1 1 6 4 LYS H H 8.43 0.05 1 7 4 LYS HD2 H 29.05 0.05 1 8 4 LYS HD3 H 29.05 0.05 1 9 4 LYS C C 175.03 0.1 1 10 4 LYS CA C 56.19 0.1 1 12 4 LYS CG C 24.65 0.1 1 13 4 LYS CE C 42.11 0.1 1 14 4 LYS N N 123.84 0.1 1 15 5 ASN H H 8.10 0.05 1 16 5 ASN HA H 4.46 0.05 1 17 5 ASN HB2 H 2.73 0.05 1 18 5 ASN HB3 H 2.73 0.05 1 23 6 GLY H H 8.40 0.05 1 24 6 GLY HA2 H 3.96 0.05 2 25 6 GLY HA3 H 3.89 0.05 2 26 6 GLY C C 174.39 0.1 1 27 6 GLY CA C 45.52 0.1 1 29 8 SER HA H 4.49 0.05 1 30 8 SER HB2 H 3.86 0.05 1 31 8 SER HB3 H 3.86 0.05 1 32 8 SER C C 174.18 0.1 1 33 8 SER CA C 58.25 0.1 1 34 8 SER CB C 63.84 0.1 1 35 9 GLY H H 8.27 0.05 1 36 9 GLY HA2 H 4.12 0.05 1 37 9 GLY HA3 H 4.12 0.05 1 38 9 GLY C C 171.54 0.1 1 39 9 GLY CA C 44.67 0.1 1 40 9 GLY N N 111.04 0.1 1 41 10 PRO HA H 4.55 0.05 1 42 10 PRO HB2 H 2.45 0.05 2 43 10 PRO HB3 H 2.04 0.05 2 44 10 PRO HG2 H 2.07 0.05 1 45 10 PRO HG3 H 2.07 0.05 1 46 10 PRO HD2 H 3.61 0.05 1 47 10 PRO HD3 H 3.61 0.05 1 48 10 PRO C C 176.69 0.1 1 49 10 PRO CA C 63.24 0.1 1 50 10 PRO CB C 32.52 0.1 1 51 10 PRO CG C 27.31 0.1 1 52 10 PRO CD C 49.86 0.1 1 53 11 GLN H H 8.72 0.05 1 54 11 GLN HA H 4.59 0.05 1 55 11 GLN HB2 H 2.11 0.05 2 56 11 GLN HB3 H 1.95 0.05 2 57 11 GLN HG2 H 2.43 0.05 1 58 11 GLN HG3 H 2.43 0.05 1 59 11 GLN HE21 H 7.51 0.05 2 60 11 GLN HE22 H 6.94 0.05 2 61 11 GLN C C 173.30 0.1 1 62 11 GLN CA C 53.65 0.1 1 63 11 GLN CB C 29.14 0.1 1 64 11 GLN CG C 33.49 0.1 1 65 11 GLN CD C 180.48 0.1 1 66 11 GLN N N 123.06 0.1 1 67 11 GLN NE2 N 113.67 0.1 1 68 12 PRO HA H 4.65 0.05 1 69 12 PRO HB2 H 1.89 0.05 2 70 12 PRO HB3 H 1.64 0.05 2 71 12 PRO HG2 H 1.96 0.05 2 72 12 PRO HG3 H 1.88 0.05 2 73 12 PRO HD2 H 3.76 0.05 2 74 12 PRO HD3 H 3.64 0.05 2 75 12 PRO C C 174.66 0.1 1 76 12 PRO CA C 62.48 0.1 1 77 12 PRO CB C 32.10 0.1 1 78 12 PRO CG C 27.14 0.1 1 79 12 PRO CD C 50.29 0.1 1 80 13 HIS H H 9.12 0.05 1 81 13 HIS HA H 5.03 0.05 1 82 13 HIS HB2 H 2.99 0.05 2 83 13 HIS HB3 H 2.55 0.05 2 84 13 HIS HD2 H 6.70 0.05 1 85 13 HIS HE1 H 7.91 0.05 1 86 13 HIS C C 175.92 0.1 1 87 13 HIS CA C 56.16 0.1 1 88 13 HIS CB C 34.41 0.1 1 89 13 HIS CD2 C 120.77 0.1 1 90 13 HIS CE1 C 138.46 0.1 1 91 13 HIS N N 117.25 0.1 1 92 13 HIS ND1 N 218.84 0.1 1 93 13 HIS NE2 N 179.99 0.1 1 94 14 LYS HA H 4.56 0.05 1 95 14 LYS HB2 H 2.29 0.05 2 96 14 LYS HB3 H 1.77 0.05 2 97 14 LYS HG2 H 1.97 0.05 2 98 14 LYS HG3 H 1.38 0.05 2 99 14 LYS HD2 H 1.76 0.05 1 100 14 LYS HD3 H 1.76 0.05 1 101 14 LYS HE2 H 3.20 0.05 2 102 14 LYS HE3 H 3.15 0.05 2 103 14 LYS C C 175.50 0.1 1 104 14 LYS CA C 60.29 0.1 1 105 14 LYS CB C 36.09 0.1 1 106 14 LYS CG C 26.35 0.1 1 107 14 LYS CD C 30.01 0.1 1 108 14 LYS CE C 41.68 0.1 1 109 15 ARG H H 7.58 0.05 1 110 15 ARG HA H 5.83 0.05 1 111 15 ARG HB2 H 2.00 0.05 2 112 15 ARG HB3 H 1.71 0.05 2 113 15 ARG HG2 H 1.61 0.05 1 114 15 ARG HG3 H 1.61 0.05 1 115 15 ARG HD2 H 3.56 0.05 2 116 15 ARG HD3 H 3.47 0.05 2 117 15 ARG C C 175.13 0.1 1 118 15 ARG CA C 55.48 0.1 1 119 15 ARG CB C 33.12 0.1 1 120 15 ARG CG C 28.94 0.1 1 121 15 ARG CD C 43.98 0.1 1 122 15 ARG N N 116.29 0.1 1 123 16 TRP H H 9.46 0.05 1 124 16 TRP HA H 5.30 0.05 1 125 16 TRP HB2 H 3.50 0.05 2 126 16 TRP HB3 H 2.90 0.05 2 127 16 TRP HD1 H 7.26 0.05 1 128 16 TRP HE1 H 9.50 0.05 1 129 16 TRP HE3 H 7.46 0.05 1 130 16 TRP HZ2 H 7.85 0.05 3 131 16 TRP HZ3 H 7.15 0.05 3 132 16 TRP HH2 H 7.50 0.05 1 133 16 TRP C C 174.47 0.1 1 134 16 TRP CA C 56.41 0.1 1 135 16 TRP CB C 33.62 0.1 1 136 16 TRP CD1 C 125.91 0.1 1 137 16 TRP CE2 C 138.54 0.1 1 138 16 TRP CE3 C 120.40 0.1 1 139 16 TRP CZ2 C 115.01 0.1 3 140 16 TRP CZ3 C 121.48 0.1 3 141 16 TRP CH2 C 124.03 0.1 1 142 16 TRP N N 124.96 0.1 1 143 16 TRP NE1 N 129.11 0.1 1 144 17 VAL H H 9.64 0.05 1 145 17 VAL HA H 5.40 0.05 1 146 17 VAL HB H 2.45 0.05 1 147 17 VAL HG1 H 1.28 0.05 2 148 17 VAL HG2 H 1.06 0.05 2 149 17 VAL C C 174.63 0.1 1 150 17 VAL CA C 59.88 0.1 1 151 17 VAL CB C 35.17 0.1 1 152 17 VAL CG1 C 23.79 0.1 2 153 17 VAL CG2 C 20.08 0.1 2 154 17 VAL N N 116.42 0.1 1 155 18 PHE H H 8.30 0.05 1 156 18 PHE HA H 6.22 0.05 1 157 18 PHE HB2 H 2.98 0.05 2 158 18 PHE HB3 H 2.78 0.05 2 159 18 PHE HD1 H 6.76 0.05 3 160 18 PHE HE1 H 6.91 0.05 3 161 18 PHE HZ H 6.96 0.05 1 162 18 PHE C C 172.49 0.1 1 163 18 PHE CA C 55.40 0.1 1 164 18 PHE CB C 44.15 0.1 1 165 18 PHE CD1 C 132.62 0.1 3 166 18 PHE CE1 C 130.07 0.1 3 167 18 PHE CZ C 129.15 0.1 1 168 18 PHE N N 116.24 0.1 1 169 19 THR H H 8.86 0.05 1 170 19 THR HA H 5.20 0.05 1 171 19 THR HB H 4.16 0.05 1 172 19 THR HG2 H 1.32 0.05 1 173 19 THR C C 173.46 0.1 1 174 19 THR CA C 59.48 0.1 1 175 19 THR CB C 72.98 0.1 1 176 19 THR CG2 C 22.24 0.1 1 177 19 THR N N 111.40 0.1 1 178 20 LEU H H 8.13 0.05 1 179 20 LEU HA H 4.85 0.05 1 180 20 LEU HB2 H 1.79 0.05 2 181 20 LEU HB3 H 1.64 0.05 2 182 20 LEU HG H 1.16 0.05 1 183 20 LEU HD1 H 0.89 0.05 2 184 20 LEU HD2 H 0.85 0.05 2 186 20 LEU CA C 54.10 0.1 1 187 20 LEU CB C 44.86 0.1 1 188 20 LEU CG C 28.25 0.1 1 189 20 LEU CD1 C 23.01 0.1 2 190 20 LEU CD2 C 25.82 0.1 2 191 20 LEU N N 123.15 0.1 1 192 21 ASN H H 9.02 0.05 1 193 21 ASN HA H 4.83 0.05 1 194 21 ASN HB2 H 2.77 0.05 2 195 21 ASN HB3 H 2.73 0.05 2 196 21 ASN HD21 H 7.71 0.05 2 197 21 ASN HD22 H 6.88 0.05 2 198 21 ASN C C 174.17 0.1 1 199 21 ASN CA C 53.58 0.1 1 200 21 ASN CB C 39.52 0.1 1 201 21 ASN CG C 175.44 0.1 1 203 21 ASN ND2 N 112.33 0.1 1 204 22 ASN H H 9.33 0.05 1 205 22 ASN HA H 4.40 0.05 1 206 22 ASN HB2 H 3.16 0.05 2 207 22 ASN HB3 H 2.53 0.05 2 208 22 ASN HD21 H 7.71 0.05 2 209 22 ASN HD22 H 6.91 0.05 2 210 22 ASN CA C 53.67 0.1 1 211 22 ASN CB C 37.54 0.1 1 212 22 ASN CG C 177.87 0.1 1 213 22 ASN N N 119.34 0.1 1 214 22 ASN ND2 N 112.06 0.1 1 215 23 PRO HA H 4.32 0.05 1 216 23 PRO HB2 H 1.84 0.05 2 217 23 PRO HB3 H 1.74 0.05 2 218 23 PRO HG2 H 1.63 0.05 1 219 23 PRO HG3 H 1.63 0.05 1 220 23 PRO HD2 H 3.55 0.05 1 221 23 PRO HD3 H 3.55 0.05 1 222 23 PRO C C 176.79 0.1 1 223 23 PRO CA C 61.94 0.1 1 224 23 PRO CB C 31.96 0.1 1 225 23 PRO CD C 50.39 0.1 1 226 24 SER H H 9.70 0.05 1 227 24 SER HA H 4.67 0.05 1 228 24 SER HB2 H 4.40 0.05 2 229 24 SER HB3 H 4.01 0.05 2 230 24 SER C C 175.44 0.1 1 231 24 SER CA C 56.15 0.1 1 232 24 SER CB C 65.73 0.1 1 233 24 SER N N 120.46 0.1 1 234 25 GLU H H 9.11 0.05 1 235 25 GLU HA H 4.12 0.05 1 236 25 GLU HB2 H 2.04 0.05 1 237 25 GLU HB3 H 2.04 0.05 1 238 25 GLU HG2 H 2.33 0.05 1 239 25 GLU HG3 H 2.33 0.05 1 240 25 GLU C C 178.87 0.1 1 241 25 GLU CA C 59.67 0.1 1 242 25 GLU CB C 28.79 0.1 1 243 25 GLU CG C 35.74 0.1 1 244 25 GLU N N 121.80 0.1 1 245 26 ASP H H 8.39 0.05 1 246 26 ASP HA H 4.36 0.05 1 247 26 ASP HB2 H 2.55 0.05 2 248 26 ASP HB3 H 2.50 0.05 2 249 26 ASP C C 178.74 0.1 1 250 26 ASP CA C 57.30 0.1 1 251 26 ASP CB C 40.47 0.1 1 252 26 ASP N N 118.87 0.1 1 253 27 GLU H H 7.80 0.05 1 254 27 GLU HA H 3.80 0.05 1 255 27 GLU HB2 H 2.34 0.05 2 256 27 GLU HB3 H 1.82 0.05 2 257 27 GLU HG2 H 2.36 0.05 1 258 27 GLU HG3 H 2.36 0.05 1 259 27 GLU C C 179.29 0.1 1 260 27 GLU CA C 59.00 0.1 1 261 27 GLU CB C 29.52 0.1 1 262 27 GLU CG C 37.53 0.1 1 263 27 GLU N N 121.66 0.1 1 264 28 ARG H H 8.05 0.05 1 265 28 ARG HA H 3.70 0.05 1 266 28 ARG HB2 H 1.80 0.05 1 267 28 ARG HB3 H 1.80 0.05 1 268 28 ARG HG2 H 0.84 0.05 1 269 28 ARG HG3 H 0.84 0.05 1 270 28 ARG HD2 H 3.12 0.05 1 271 28 ARG HD3 H 3.12 0.05 1 272 28 ARG HE H 8.67 0.05 1 273 28 ARG C C 177.37 0.1 1 274 28 ARG CA C 60.21 0.1 1 275 28 ARG CB C 30.77 0.1 1 276 28 ARG CG C 25.93 0.1 1 277 28 ARG CD C 43.02 0.1 1 278 28 ARG CZ C 160.21 0.1 1 279 28 ARG N N 118.18 0.1 1 280 28 ARG NE N 85.56 0.1 1 281 29 LYS H H 8.14 0.05 1 282 29 LYS HA H 3.73 0.05 1 283 29 LYS HB2 H 1.84 0.05 2 284 29 LYS HB3 H 1.74 0.05 2 285 29 LYS HG2 H 1.39 0.05 1 286 29 LYS HG3 H 1.39 0.05 1 287 29 LYS HD2 H 1.66 0.05 1 288 29 LYS HD3 H 1.66 0.05 1 289 29 LYS HE2 H 2.95 0.05 1 290 29 LYS HE3 H 2.95 0.05 1 291 29 LYS C C 176.45 0.1 1 292 29 LYS CA C 59.56 0.1 1 293 29 LYS CB C 32.40 0.1 1 294 29 LYS CG C 25.19 0.1 1 295 29 LYS CD C 29.17 0.1 1 296 29 LYS CE C 41.79 0.1 1 297 29 LYS N N 119.50 0.1 1 298 30 LYS H H 7.51 0.05 1 299 30 LYS HA H 3.83 0.05 1 300 30 LYS HB2 H 1.84 0.05 2 301 30 LYS HB3 H 1.78 0.05 2 302 30 LYS HG2 H 1.31 0.05 2 303 30 LYS HG3 H 1.16 0.05 2 304 30 LYS HD2 H 1.55 0.05 1 305 30 LYS HD3 H 1.55 0.05 1 306 30 LYS HE2 H 2.70 0.05 1 307 30 LYS HE3 H 2.70 0.05 1 308 30 LYS C C 178.34 0.1 1 309 30 LYS CA C 59.06 0.1 1 310 30 LYS CB C 32.50 0.1 1 311 30 LYS CG C 24.16 0.1 1 312 30 LYS CD C 28.99 0.1 1 313 30 LYS CE C 41.57 0.1 1 314 30 LYS N N 117.66 0.1 1 315 31 ILE H H 6.83 0.05 1 316 31 ILE HA H 3.62 0.05 1 317 31 ILE HB H 1.81 0.05 1 318 31 ILE HG12 H 1.72 0.05 9 319 31 ILE HG13 H 1.06 0.05 9 320 31 ILE HG2 H 1.01 0.05 1 321 31 ILE HD1 H 0.81 0.05 1 322 31 ILE C C 176.25 0.1 1 323 31 ILE CA C 63.91 0.1 1 324 31 ILE CB C 38.23 0.1 1 325 31 ILE CG1 C 30.62 0.1 1 326 31 ILE CG2 C 18.57 0.1 1 327 31 ILE CD1 C 13.29 0.1 1 328 31 ILE N N 117.04 0.1 1 329 32 ARG H H 8.09 0.05 1 330 32 ARG HA H 4.15 0.05 1 331 32 ARG HB2 H 1.84 0.05 1 332 32 ARG HB3 H 1.84 0.05 1 333 32 ARG HG2 H 1.76 0.05 2 334 32 ARG HG3 H 1.62 0.05 2 335 32 ARG HD2 H 3.25 0.05 2 336 32 ARG HD3 H 3.19 0.05 2 337 32 ARG C C 177.25 0.1 1 338 32 ARG CA C 58.70 0.1 1 339 32 ARG CB C 30.25 0.1 1 340 32 ARG CG C 27.85 0.1 1 341 32 ARG CD C 43.58 0.1 1 342 32 ARG N N 117.29 0.1 1 343 33 ASP H H 7.79 0.05 1 344 33 ASP HA H 4.62 0.05 1 345 33 ASP HB2 H 2.76 0.05 2 346 33 ASP HB3 H 2.71 0.05 2 347 33 ASP C C 176.25 0.1 1 348 33 ASP CA C 54.06 0.1 1 349 33 ASP CB C 40.87 0.1 1 351 34 LEU H H 7.41 0.05 1 352 34 LEU HA H 4.21 0.05 1 353 34 LEU HB2 H 1.68 0.05 2 354 34 LEU HB3 H 0.91 0.05 2 355 34 LEU HG H 2.20 0.05 1 356 34 LEU HD1 H 0.72 0.05 2 357 34 LEU HD2 H 0.82 0.05 2 358 34 LEU C C 173.95 0.1 1 359 34 LEU CA C 54.09 0.1 1 360 34 LEU CB C 42.00 0.1 1 361 34 LEU CG C 26.36 0.1 1 362 34 LEU CD1 C 27.36 0.1 2 363 34 LEU CD2 C 23.58 0.1 2 364 34 LEU N N 125.55 0.1 1 365 35 PRO HA H 4.40 0.05 1 366 35 PRO HB2 H 2.18 0.05 2 367 35 PRO HB3 H 1.85 0.05 2 368 35 PRO HG2 H 2.01 0.05 2 369 35 PRO HG3 H 1.95 0.05 2 370 35 PRO HD2 H 3.88 0.05 2 371 35 PRO HD3 H 3.33 0.05 2 372 35 PRO C C 177.80 0.1 1 373 35 PRO CA C 62.29 0.1 1 374 35 PRO CB C 31.56 0.1 1 375 35 PRO CG C 27.32 0.1 1 376 35 PRO CD C 50.28 0.1 1 377 36 ILE H H 8.13 0.05 1 378 36 ILE HA H 4.08 0.05 1 379 36 ILE HB H 2.08 0.05 1 380 36 ILE HG12 H 1.50 0.05 9 381 36 ILE HG13 H 1.33 0.05 9 382 36 ILE HG2 H 1.12 0.05 1 383 36 ILE HD1 H 0.97 0.05 1 384 36 ILE C C 177.96 0.1 1 385 36 ILE CA C 64.36 0.1 1 386 36 ILE CB C 37.90 0.1 1 387 36 ILE CG1 C 26.66 0.1 1 388 36 ILE CG2 C 18.01 0.1 1 389 36 ILE CD1 C 14.18 0.1 1 390 36 ILE N N 119.85 0.1 1 391 37 SER H H 7.81 0.05 1 392 37 SER HA H 4.17 0.05 1 393 37 SER HB2 H 3.91 0.05 2 394 37 SER HB3 H 3.78 0.05 2 395 37 SER C C 175.21 0.1 1 396 37 SER CA C 58.85 0.1 1 397 37 SER CB C 62.54 0.1 1 398 37 SER N N 113.60 0.1 1 399 38 LEU H H 7.18 0.05 1 400 38 LEU HA H 3.79 0.05 1 401 38 LEU HB2 H 0.35 0.05 2 402 38 LEU HB3 H 0.17 0.05 2 403 38 LEU HG H 1.16 0.05 1 404 38 LEU HD1 H 0.12 0.05 2 405 38 LEU HD2 H 0.35 0.05 2 406 38 LEU C C 178.14 0.1 1 407 38 LEU CA C 56.18 0.1 1 408 38 LEU CB C 42.52 0.1 1 409 38 LEU CG C 26.56 0.1 1 410 38 LEU CD1 C 25.25 0.1 2 411 38 LEU CD2 C 22.69 0.1 2 412 38 LEU N N 120.66 0.1 1 413 39 PHE H H 7.44 0.05 1 414 39 PHE HA H 4.82 0.05 1 415 39 PHE HB2 H 2.72 0.05 2 416 39 PHE HB3 H 2.33 0.05 2 417 39 PHE HD1 H 6.34 0.05 3 418 39 PHE HE1 H 5.89 0.05 3 419 39 PHE HZ H 5.91 0.05 1 420 39 PHE C C 175.64 0.1 1 421 39 PHE CA C 57.71 0.1 1 422 39 PHE CB C 41.39 0.1 1 423 39 PHE CD1 C 130.99 0.1 3 424 39 PHE CE1 C 131.51 0.1 3 425 39 PHE CZ C 127.95 0.1 1 426 39 PHE N N 115.50 0.1 1 427 40 ASP H H 9.20 0.05 1 428 40 ASP HA H 4.89 0.05 1 429 40 ASP HB2 H 2.59 0.05 2 430 40 ASP HB3 H 2.21 0.05 2 431 40 ASP C C 176.98 0.1 1 432 40 ASP CA C 56.81 0.1 1 433 40 ASP CB C 41.21 0.1 1 434 40 ASP N N 125.38 0.1 1 435 41 TYR H H 8.27 0.05 1 436 41 TYR HA H 5.12 0.05 1 437 41 TYR HB2 H 3.81 0.05 2 438 41 TYR HB3 H 2.52 0.05 2 439 41 TYR HD1 H 7.19 0.05 3 440 41 TYR HE1 H 6.61 0.05 3 441 41 TYR C C 171.47 0.1 1 442 41 TYR CA C 57.96 0.1 1 443 41 TYR CB C 40.95 0.1 1 444 41 TYR CD1 C 132.00 0.1 3 445 41 TYR CE1 C 117.15 0.1 3 446 41 TYR N N 118.09 0.1 1 447 42 PHE H H 7.87 0.05 1 448 42 PHE HA H 4.72 0.05 1 449 42 PHE HB2 H 2.41 0.05 2 450 42 PHE HB3 H 1.63 0.05 2 451 42 PHE HD1 H 6.39 0.05 3 452 42 PHE HE1 H 6.78 0.05 3 453 42 PHE HZ H 6.66 0.05 1 454 42 PHE C C 171.11 0.1 1 455 42 PHE CA C 55.40 0.1 1 456 42 PHE CB C 43.27 0.1 1 457 42 PHE CD1 C 131.02 0.1 3 458 42 PHE CE1 C 129.49 0.1 3 459 42 PHE CZ C 128.33 0.1 1 460 42 PHE N N 130.66 0.1 1 461 43 ILE H H 8.11 0.05 1 462 43 ILE HA H 4.68 0.05 1 463 43 ILE HB H 1.89 0.05 1 464 43 ILE HG12 H 1.47 0.05 9 465 43 ILE HG13 H 0.72 0.05 9 466 43 ILE HG2 H 0.98 0.05 1 467 43 ILE HD1 H 0.94 0.05 1 468 43 ILE C C 170.97 0.1 1 469 43 ILE CA C 59.05 0.1 1 471 43 ILE CG1 C 29.63 0.1 1 472 43 ILE CG2 C 16.09 0.1 1 473 43 ILE CD1 C 14.85 0.1 1 474 43 ILE N N 123.12 0.1 1 475 44 VAL H H 8.17 0.05 1 476 44 VAL HA H 4.51 0.05 1 477 44 VAL HB H 1.76 0.05 1 478 44 VAL HG1 H 0.89 0.05 2 479 44 VAL HG2 H 0.52 0.05 2 480 44 VAL C C 173.79 0.1 1 481 44 VAL CA C 60.02 0.1 1 482 44 VAL CB C 34.57 0.1 1 483 44 VAL CG1 C 22.79 0.1 2 484 44 VAL CG2 C 23.04 0.1 2 485 44 VAL N N 122.45 0.1 1 486 45 GLY H H 9.33 0.05 1 487 45 GLY HA2 H 4.74 0.05 2 488 45 GLY HA3 H 3.91 0.05 2 489 45 GLY C C 171.34 0.1 1 490 45 GLY CA C 43.91 0.1 1 491 45 GLY N N 116.73 0.1 1 492 46 GLU H H 8.68 0.05 1 493 46 GLU HA H 4.84 0.05 1 494 46 GLU HB2 H 1.94 0.05 2 495 46 GLU HB3 H 1.90 0.05 2 496 46 GLU HG2 H 2.00 0.05 1 497 46 GLU HG3 H 2.00 0.05 1 498 46 GLU C C 175.16 0.1 1 499 46 GLU CA C 55.73 0.1 1 501 46 GLU CG C 36.43 0.1 1 502 46 GLU N N 122.61 0.1 1 503 47 GLU H H 8.82 0.05 1 504 47 GLU HA H 4.64 0.05 1 505 47 GLU HB2 H 1.72 0.05 2 506 47 GLU HB3 H 1.06 0.05 2 507 47 GLU HG2 H 1.93 0.05 1 508 47 GLU HG3 H 1.93 0.05 1 509 47 GLU C C 175.98 0.1 1 510 47 GLU CA C 54.61 0.1 1 511 47 GLU CB C 32.80 0.1 1 512 47 GLU CG C 36.33 0.1 1 513 47 GLU N N 126.55 0.1 1 514 48 GLY H H 8.97 0.05 1 515 48 GLY HA2 H 4.04 0.05 2 516 48 GLY HA3 H 3.67 0.05 2 517 48 GLY C C 173.17 0.1 1 518 48 GLY CA C 46.30 0.1 1 519 48 GLY N N 109.24 0.1 1 520 49 ASN H H 8.13 0.05 1 521 49 ASN HA H 4.67 0.05 1 522 49 ASN HB2 H 2.73 0.05 2 523 49 ASN HB3 H 2.58 0.05 2 524 49 ASN HD21 H 7.56 0.05 2 525 49 ASN HD22 H 7.07 0.05 2 526 49 ASN C C 175.09 0.1 1 527 49 ASN CA C 53.19 0.1 1 528 49 ASN CB C 38.51 0.1 1 529 49 ASN CG C 177.17 0.1 1 530 49 ASN N N 116.95 0.1 1 531 49 ASN ND2 N 112.80 0.1 1 532 50 GLU H H 8.16 0.05 1 533 50 GLU HA H 4.31 0.05 1 534 50 GLU HB2 H 1.91 0.05 2 535 50 GLU HB3 H 1.83 0.05 2 536 50 GLU HG2 H 2.20 0.05 1 537 50 GLU HG3 H 2.20 0.05 1 538 50 GLU C C 175.54 0.1 1 539 50 GLU CA C 56.16 0.1 1 541 50 GLU CG C 36.15 0.1 1 542 50 GLU N N 119.94 0.1 1 543 51 GLU H H 8.58 0.05 1 544 51 GLU HA H 4.08 0.05 1 545 51 GLU HB2 H 1.97 0.05 1 546 51 GLU HB3 H 1.97 0.05 1 547 51 GLU HG2 H 2.25 0.05 1 548 51 GLU HG3 H 2.25 0.05 1 549 51 GLU C C 176.99 0.1 1 550 51 GLU CA C 57.68 0.1 1 551 51 GLU CB C 29.27 0.1 1 552 51 GLU CG C 36.02 0.1 1 553 51 GLU N N 121.63 0.1 1 554 52 GLY H H 8.73 0.05 1 555 52 GLY HA2 H 4.16 0.05 2 556 52 GLY HA3 H 3.73 0.05 2 558 52 GLY CA C 45.32 0.1 1 559 52 GLY N N 112.16 0.1 1 560 53 ARG H H 7.82 0.05 1 561 53 ARG HA H 4.61 0.05 1 562 53 ARG HB2 H 1.90 0.05 2 563 53 ARG HB3 H 1.77 0.05 2 564 53 ARG HG2 H 1.58 0.05 1 565 53 ARG HG3 H 1.58 0.05 1 566 53 ARG HD2 H 3.14 0.05 1 567 53 ARG HD3 H 3.14 0.05 1 568 53 ARG C C 175.00 0.1 1 569 53 ARG CA C 54.69 0.1 1 570 53 ARG CB C 31.86 0.1 1 571 53 ARG CG C 27.17 0.1 1 572 53 ARG CD C 43.20 0.1 1 574 54 THR H H 8.48 0.05 1 575 54 THR HA H 4.68 0.05 1 576 54 THR HB H 4.05 0.05 1 577 54 THR HG2 H 1.29 0.05 1 578 54 THR CA C 59.98 0.1 1 579 54 THR CB C 70.28 0.1 1 580 54 THR CG2 C 21.19 0.1 1 581 54 THR N N 118.48 0.1 1 582 55 PRO HA H 4.98 0.05 1 583 55 PRO HB2 H 2.26 0.05 2 584 55 PRO HB3 H 1.89 0.05 2 585 55 PRO HG2 H 2.08 0.05 2 586 55 PRO HG3 H 1.96 0.05 2 587 55 PRO HD2 H 4.06 0.05 2 588 55 PRO HD3 H 3.77 0.05 2 589 55 PRO C C 176.37 0.1 1 590 55 PRO CA C 62.89 0.1 1 591 55 PRO CB C 33.12 0.1 1 592 55 PRO CG C 27.89 0.1 1 593 55 PRO CD C 51.58 0.1 1 594 56 HIS H H 8.74 0.05 1 595 56 HIS HA H 5.32 0.05 1 596 56 HIS HB2 H 3.34 0.05 2 597 56 HIS HB3 H 3.02 0.05 2 598 56 HIS HD2 H 6.84 0.05 1 599 56 HIS HE1 H 8.20 0.05 1 600 56 HIS C C 172.86 0.1 1 601 56 HIS CA C 55.36 0.1 1 602 56 HIS CB C 33.03 0.1 1 603 56 HIS CD2 C 120.73 0.1 1 604 56 HIS CE1 C 137.73 0.1 1 605 56 HIS N N 116.87 0.1 1 606 56 HIS ND1 N 194.87 0.1 1 607 56 HIS NE2 N 183.23 0.1 1 608 57 LEU H H 8.95 0.05 1 609 57 LEU HA H 5.25 0.05 1 610 57 LEU HB2 H 1.76 0.05 2 611 57 LEU HB3 H 1.19 0.05 2 612 57 LEU HG H 1.65 0.05 1 613 57 LEU HD1 H 0.83 0.05 2 614 57 LEU HD2 H 0.80 0.05 2 615 57 LEU C C 175.58 0.1 1 616 57 LEU CA C 52.90 0.1 1 618 57 LEU CG C 26.97 0.1 1 619 57 LEU CD1 C 26.22 0.1 2 620 57 LEU CD2 C 23.04 0.1 2 621 57 LEU N N 118.67 0.1 1 622 58 GLN H H 8.91 0.05 1 623 58 GLN HA H 4.66 0.05 1 624 58 GLN HB2 H 2.05 0.05 2 625 58 GLN HB3 H 1.76 0.05 2 626 58 GLN HG2 H 2.44 0.05 2 627 58 GLN HG3 H 1.99 0.05 2 628 58 GLN HE21 H 7.94 0.05 2 629 58 GLN HE22 H 6.98 0.05 2 630 58 GLN C C 173.52 0.1 1 631 58 GLN CA C 54.02 0.1 1 632 58 GLN CB C 31.69 0.1 1 633 58 GLN CG C 34.01 0.1 1 634 58 GLN CD C 179.42 0.1 1 635 58 GLN N N 124.54 0.1 1 636 58 GLN NE2 N 115.81 0.1 1 637 59 GLY H H 8.68 0.05 1 638 59 GLY HA2 H 5.12 0.05 2 639 59 GLY HA3 H 2.54 0.05 2 640 59 GLY C C 172.30 0.1 1 641 59 GLY CA C 45.42 0.1 1 642 59 GLY N N 113.79 0.1 1 643 60 PHE H H 8.79 0.05 1 644 60 PHE HA H 5.32 0.05 1 645 60 PHE HB2 H 3.04 0.05 2 646 60 PHE HB3 H 2.66 0.05 2 647 60 PHE HD1 H 7.10 0.05 3 648 60 PHE HE1 H 7.15 0.05 3 649 60 PHE HZ H 7.21 0.05 1 650 60 PHE C C 170.46 0.1 1 651 60 PHE CA C 56.85 0.1 1 652 60 PHE CB C 42.44 0.1 1 653 60 PHE CD1 C 132.02 0.1 3 654 60 PHE CZ C 130.80 0.1 1 655 60 PHE N N 121.14 0.1 1 656 61 ALA H H 9.12 0.05 1 657 61 ALA HA H 4.46 0.05 1 658 61 ALA HB H 1.06 0.05 1 659 61 ALA C C 172.40 0.1 1 660 61 ALA CA C 50.41 0.1 1 661 61 ALA CB C 23.38 0.1 1 662 61 ALA N N 128.85 0.1 1 663 62 ASN H H 8.87 0.05 1 664 62 ASN HA H 5.20 0.05 1 665 62 ASN HB2 H 3.43 0.05 2 666 62 ASN HB3 H 2.66 0.05 2 667 62 ASN HD21 H 5.48 0.05 2 668 62 ASN HD22 H 6.89 0.05 2 669 62 ASN C C 176.83 0.1 1 670 62 ASN CA C 51.15 0.1 1 671 62 ASN CB C 38.45 0.1 1 672 62 ASN N N 120.74 0.1 1 673 62 ASN ND2 N 110.03 0.1 1 674 63 PHE H H 9.46 0.05 1 675 63 PHE HA H 4.62 0.05 1 676 63 PHE HB2 H 3.75 0.05 2 677 63 PHE HB3 H 3.46 0.05 2 678 63 PHE HD1 H 7.48 0.05 3 679 63 PHE HE1 H 6.82 0.05 3 680 63 PHE HZ H 7.53 0.05 1 681 63 PHE C C 174.56 0.1 1 682 63 PHE CA C 59.58 0.1 1 683 63 PHE CB C 41.18 0.1 1 684 63 PHE CD1 C 132.48 0.1 3 685 63 PHE CE1 C 131.77 0.1 3 686 63 PHE CZ C 129.36 0.1 1 687 63 PHE N N 123.59 0.1 1 688 64 VAL H H 8.36 0.05 1 689 64 VAL HA H 3.63 0.05 1 690 64 VAL HB H 1.91 0.05 1 691 64 VAL HG1 H 0.90 0.05 2 692 64 VAL HG2 H 0.82 0.05 2 693 64 VAL C C 176.51 0.1 1 694 64 VAL CA C 65.66 0.1 1 695 64 VAL CB C 32.20 0.1 1 696 64 VAL CG1 C 21.58 0.1 2 697 64 VAL CG2 C 22.32 0.1 2 698 64 VAL N N 118.06 0.1 1 699 65 LYS H H 8.20 0.05 1 700 65 LYS HA H 4.63 0.05 1 701 65 LYS HB2 H 1.75 0.05 2 702 65 LYS HB3 H 1.58 0.05 2 703 65 LYS HG2 H 1.36 0.05 1 704 65 LYS HG3 H 1.36 0.05 1 705 65 LYS HD2 H 1.66 0.05 1 706 65 LYS HD3 H 1.66 0.05 1 707 65 LYS HE2 H 2.94 0.05 1 708 65 LYS HE3 H 2.94 0.05 1 709 65 LYS C C 174.61 0.1 1 710 65 LYS CA C 53.28 0.1 1 711 65 LYS CB C 34.98 0.1 1 712 65 LYS CG C 24.26 0.1 1 713 65 LYS CD C 29.09 0.1 1 714 65 LYS CE C 41.76 0.1 1 715 65 LYS N N 117.36 0.1 1 716 66 LYS H H 8.29 0.05 1 717 66 LYS HA H 3.58 0.05 1 718 66 LYS HB2 H 1.63 0.05 2 719 66 LYS HB3 H 1.32 0.05 2 720 66 LYS HG2 H 1.63 0.05 2 721 66 LYS HG3 H 1.23 0.05 2 722 66 LYS HD2 H 1.61 0.05 1 723 66 LYS HD3 H 1.61 0.05 1 724 66 LYS HE2 H 3.03 0.05 1 725 66 LYS HE3 H 3.03 0.05 1 726 66 LYS C C 175.38 0.1 1 727 66 LYS CA C 58.29 0.1 1 728 66 LYS CB C 33.19 0.1 1 729 66 LYS CG C 26.26 0.1 1 730 66 LYS CD C 29.93 0.1 1 731 66 LYS CE C 41.72 0.1 1 732 66 LYS N N 117.40 0.1 1 733 67 GLN H H 8.12 0.05 1 734 67 GLN HA H 4.81 0.05 1 735 67 GLN HB2 H 1.78 0.05 2 736 67 GLN HB3 H 1.03 0.05 2 737 67 GLN HG2 H 2.38 0.05 2 738 67 GLN HG3 H 0.52 0.05 2 739 67 GLN HE21 H 6.65 0.05 2 740 67 GLN HE22 H 6.57 0.05 2 741 67 GLN C C 176.23 0.1 1 742 67 GLN CA C 52.86 0.1 1 743 67 GLN CB C 32.67 0.1 1 744 67 GLN CG C 29.55 0.1 1 745 67 GLN CD C 178.70 0.1 1 746 67 GLN N N 119.61 0.1 1 747 67 GLN NE2 N 109.82 0.1 1 748 68 THR H H 8.12 0.05 1 749 68 THR HA H 4.49 0.05 1 750 68 THR HB H 4.67 0.05 1 751 68 THR HG2 H 1.25 0.05 1 752 68 THR C C 173.94 0.1 1 753 68 THR CA C 60.43 0.1 1 754 68 THR CB C 70.54 0.1 1 755 68 THR CG2 C 22.58 0.1 1 756 68 THR N N 112.41 0.1 1 757 69 PHE H H 9.11 0.05 1 758 69 PHE HA H 3.34 0.05 1 759 69 PHE HB2 H 3.37 0.05 2 760 69 PHE HB3 H 3.07 0.05 2 761 69 PHE HD1 H 7.24 0.05 3 762 69 PHE HE1 H 7.41 0.05 3 763 69 PHE HZ H 7.42 0.05 1 764 69 PHE C C 175.88 0.1 1 765 69 PHE CA C 61.36 0.1 1 766 69 PHE CB C 39.91 0.1 1 767 69 PHE CD1 C 132.19 0.1 3 768 69 PHE CE1 C 131.33 0.1 3 769 69 PHE CZ C 129.90 0.1 1 770 69 PHE N N 122.77 0.1 1 771 70 ASN H H 8.53 0.05 1 772 70 ASN HA H 4.14 0.05 1 773 70 ASN HB2 H 2.67 0.05 2 774 70 ASN HB3 H 2.62 0.05 2 775 70 ASN HD21 H 7.01 0.05 2 776 70 ASN C C 177.87 0.1 1 777 70 ASN CA C 55.85 0.1 1 778 70 ASN CB C 37.66 0.1 1 779 70 ASN CG C 176.03 0.1 1 780 70 ASN N N 113.72 0.1 1 781 70 ASN ND2 N 112.63 0.1 1 782 71 LYS H H 7.65 0.05 1 783 71 LYS HA H 3.88 0.05 1 784 71 LYS HB2 H 1.83 0.05 2 785 71 LYS HB3 H 1.71 0.05 2 786 71 LYS HG2 H 1.33 0.05 1 787 71 LYS HG3 H 1.33 0.05 1 788 71 LYS HD2 H 1.29 0.05 1 789 71 LYS HD3 H 1.29 0.05 1 790 71 LYS HE2 H 2.61 0.05 2 791 71 LYS HE3 H 2.45 0.05 2 792 71 LYS C C 177.21 0.1 1 793 71 LYS CA C 57.24 0.1 1 794 71 LYS CB C 31.45 0.1 1 795 71 LYS CG C 24.19 0.1 1 796 71 LYS CD C 27.87 0.1 1 797 71 LYS CE C 41.41 0.1 1 798 71 LYS N N 123.17 0.1 1 799 72 VAL H H 7.87 0.05 1 800 72 VAL HA H 3.20 0.05 1 801 72 VAL HB H 1.15 0.05 1 802 72 VAL HG1 H 0.31 0.05 2 803 72 VAL HG2 H -0.32 0.05 2 804 72 VAL C C 177.73 0.1 1 805 72 VAL CA C 68.20 0.1 1 806 72 VAL CB C 30.08 0.1 1 807 72 VAL CG1 C 22.39 0.1 2 808 72 VAL CG2 C 21.99 0.1 2 809 72 VAL N N 120.25 0.1 1 810 73 LYS H H 7.52 0.05 1 811 73 LYS HA H 3.40 0.05 1 812 73 LYS HB2 H 1.57 0.05 2 813 73 LYS HB3 H 1.43 0.05 2 814 73 LYS HG2 H 1.18 0.05 2 815 73 LYS HG3 H 1.00 0.05 2 816 73 LYS HD2 H 1.51 0.05 1 817 73 LYS HD3 H 1.51 0.05 1 818 73 LYS HE2 H 2.92 0.05 1 819 73 LYS HE3 H 2.92 0.05 1 820 73 LYS C C 178.03 0.1 1 821 73 LYS CA C 58.75 0.1 1 822 73 LYS CB C 32.35 0.1 1 823 73 LYS CG C 24.73 0.1 1 824 73 LYS CD C 29.48 0.1 1 825 73 LYS CE C 41.94 0.1 1 826 73 LYS N N 117.73 0.1 1 827 74 TRP H H 7.52 0.05 1 828 74 TRP HA H 4.01 0.05 1 829 74 TRP HB2 H 3.30 0.05 2 830 74 TRP HB3 H 3.05 0.05 2 831 74 TRP HD1 H 6.83 0.05 1 832 74 TRP HE1 H 10.08 0.05 1 833 74 TRP HE3 H 6.65 0.05 1 834 74 TRP HZ2 H 7.38 0.05 3 835 74 TRP HZ3 H 6.84 0.05 3 836 74 TRP HH2 H 7.12 0.05 1 837 74 TRP C C 177.86 0.1 1 838 74 TRP CA C 60.94 0.1 1 839 74 TRP CB C 27.88 0.1 1 840 74 TRP CD1 C 126.94 0.1 2 841 74 TRP CE2 C 138.34 0.1 2 842 74 TRP CE3 C 119.66 0.1 2 843 74 TRP CZ2 C 114.61 0.1 3 844 74 TRP CZ3 C 122.14 0.1 3 845 74 TRP CH2 C 124.35 0.1 1 846 74 TRP N N 121.30 0.1 1 847 74 TRP NE1 N 130.02 0.1 1 848 75 TYR H H 8.09 0.05 1 849 75 TYR HA H 3.99 0.05 1 850 75 TYR HB2 H 2.88 0.05 1 851 75 TYR HB3 H 2.88 0.05 1 852 75 TYR HD1 H 6.88 0.05 3 853 75 TYR HE1 H 6.62 0.05 3 854 75 TYR C C 176.96 0.1 1 855 75 TYR CA C 61.10 0.1 1 857 75 TYR CD1 C 132.76 0.1 3 858 75 TYR CE1 C 117.89 0.1 3 859 75 TYR N N 116.15 0.1 1 860 76 LEU H H 8.18 0.05 1 861 76 LEU HA H 3.92 0.05 1 862 76 LEU HB2 H 1.27 0.05 2 863 76 LEU HB3 H 1.06 0.05 2 864 76 LEU HG H 1.61 0.05 1 865 76 LEU HD1 H -0.08 0.05 2 866 76 LEU HD2 H 0.31 0.05 2 867 76 LEU C C 175.72 0.1 1 868 76 LEU CA C 56.26 0.1 1 869 76 LEU CB C 42.29 0.1 1 870 76 LEU CG C 25.95 0.1 1 871 76 LEU CD1 C 25.49 0.1 2 872 76 LEU CD2 C 22.09 0.1 2 873 76 LEU N N 114.01 0.1 1 874 77 GLY H H 7.64 0.05 1 875 77 GLY HA2 H 4.46 0.05 2 876 77 GLY HA3 H 3.36 0.05 2 877 77 GLY C C 174.61 0.1 1 878 77 GLY CA C 44.16 0.1 1 879 77 GLY N N 105.69 0.1 1 880 78 ALA H H 8.25 0.05 1 881 78 ALA HA H 3.84 0.05 1 882 78 ALA HB H 1.41 0.05 1 883 78 ALA C C 176.05 0.1 1 884 78 ALA CA C 54.87 0.1 1 885 78 ALA CB C 18.97 0.1 1 886 78 ALA N N 125.74 0.1 1 887 79 ARG H H 8.40 0.05 1 888 79 ARG HA H 4.32 0.05 1 889 79 ARG HB2 H 1.98 0.05 2 890 79 ARG HB3 H 1.70 0.05 2 891 79 ARG HG2 H 1.67 0.05 1 892 79 ARG HG3 H 1.67 0.05 1 893 79 ARG HD2 H 3.42 0.05 2 894 79 ARG HD3 H 3.20 0.05 2 895 79 ARG HE H 8.86 0.05 1 896 79 ARG C C 177.26 0.1 1 897 79 ARG CA C 56.64 0.1 1 898 79 ARG CB C 31.30 0.1 1 899 79 ARG CG C 28.78 0.1 1 900 79 ARG CZ C 159.95 0.1 1 901 79 ARG N N 114.47 0.1 1 902 79 ARG NE N 83.84 0.1 1 903 80 CYS H H 7.56 0.05 1 904 80 CYS HA H 4.45 0.05 1 905 80 CYS HB2 H 2.78 0.05 2 906 80 CYS HB3 H 2.52 0.05 2 907 80 CYS C C 174.55 0.1 1 908 80 CYS CA C 60.57 0.1 1 909 80 CYS CB C 27.07 0.1 1 910 80 CYS N N 118.26 0.1 1 911 81 HIS H H 9.07 0.05 1 912 81 HIS HA H 4.95 0.05 1 913 81 HIS HB2 H 3.33 0.05 2 914 81 HIS HB3 H 3.09 0.05 2 915 81 HIS HD2 H 7.03 0.05 1 916 81 HIS HE1 H 7.97 0.05 1 917 81 HIS C C 175.02 0.1 1 918 81 HIS CA C 56.17 0.1 1 919 81 HIS CB C 30.82 0.1 1 920 81 HIS CD2 C 118.59 0.1 1 921 81 HIS CE1 C 138.42 0.1 1 922 81 HIS N N 124.58 0.1 1 923 81 HIS ND1 N 220.25 0.1 1 924 81 HIS NE2 N 175.62 0.1 1 925 82 ILE H H 8.22 0.05 1 926 82 ILE HA H 5.41 0.05 1 927 82 ILE HB H 1.74 0.05 1 928 82 ILE HG12 H 1.35 0.05 9 929 82 ILE HG13 H 0.59 0.05 9 930 82 ILE HG2 H 0.75 0.05 1 931 82 ILE HD1 H 0.00 0.05 1 932 82 ILE C C 174.18 0.1 1 933 82 ILE CA C 59.72 0.1 1 934 82 ILE CB C 41.65 0.1 1 935 82 ILE CG1 C 27.27 0.1 1 936 82 ILE CG2 C 18.81 0.1 1 937 82 ILE CD1 C 14.61 0.1 1 938 82 ILE N N 124.75 0.1 1 939 83 GLU H H 9.04 0.05 1 940 83 GLU HA H 4.98 0.05 1 941 83 GLU HB2 H 2.19 0.05 2 942 83 GLU HB3 H 2.00 0.05 2 943 83 GLU HG2 H 2.25 0.05 1 944 83 GLU HG3 H 2.25 0.05 1 945 83 GLU C C 174.22 0.1 1 946 83 GLU CA C 54.78 0.1 1 947 83 GLU CB C 34.37 0.1 1 948 83 GLU CG C 36.05 0.1 1 949 83 GLU N N 121.09 0.1 1 950 84 LYS H H 8.85 0.05 1 951 84 LYS HA H 3.67 0.05 1 952 84 LYS HB2 H 1.23 0.05 1 953 84 LYS HB3 H 1.23 0.05 1 954 84 LYS HG2 H 0.86 0.05 2 955 84 LYS HG3 H 0.60 0.05 2 956 84 LYS HD2 H 0.91 0.05 1 957 84 LYS HD3 H 0.91 0.05 1 958 84 LYS HE2 H 2.64 0.05 1 959 84 LYS HE3 H 2.64 0.05 1 960 84 LYS C C 176.27 0.1 1 961 84 LYS CA C 57.71 0.1 1 962 84 LYS CB C 31.97 0.1 1 963 84 LYS CG C 24.72 0.1 1 964 84 LYS CD C 28.96 0.1 1 965 84 LYS CE C 41.66 0.1 1 966 84 LYS N N 124.27 0.1 1 967 85 ALA H H 8.02 0.05 1 968 85 ALA HA H 4.35 0.05 1 969 85 ALA HB H 1.40 0.05 1 970 85 ALA C C 176.28 0.1 1 971 85 ALA CA C 52.34 0.1 1 973 85 ALA N N 125.85 0.1 1 974 86 LYS H H 8.92 0.05 1 975 86 LYS HA H 4.60 0.05 1 976 86 LYS HB2 H 1.78 0.05 2 977 86 LYS HB3 H 1.65 0.05 2 978 86 LYS HG2 H 1.39 0.05 1 979 86 LYS HG3 H 1.39 0.05 1 980 86 LYS HD2 H 1.64 0.05 1 981 86 LYS HD3 H 1.64 0.05 1 982 86 LYS HE2 H 2.96 0.05 1 983 86 LYS HE3 H 2.96 0.05 1 984 86 LYS C C 176.33 0.1 1 985 86 LYS CA C 55.17 0.1 1 986 86 LYS CB C 35.23 0.1 1 987 86 LYS CG C 24.71 0.1 1 988 86 LYS CD C 28.96 0.1 1 989 86 LYS CE C 41.70 0.1 1 990 86 LYS N N 121.19 0.1 1 991 87 GLY H H 8.48 0.05 1 992 87 GLY HA2 H 4.15 0.05 2 993 87 GLY HA3 H 3.95 0.05 2 994 87 GLY C C 174.31 0.1 1 995 87 GLY CA C 44.03 0.1 1 996 87 GLY N N 108.83 0.1 1 997 88 THR H H 8.55 0.05 1 998 88 THR HA H 4.37 0.05 1 999 88 THR HB H 4.80 0.05 1 1000 88 THR HG2 H 1.26 0.05 1 1001 88 THR C C 176.66 0.1 1 1002 88 THR CA C 60.91 0.1 1 1003 88 THR CB C 71.19 0.1 1 1004 88 THR CG2 C 21.72 0.1 1 1005 88 THR N N 110.41 0.1 1 1006 89 ASP H H 9.71 0.05 1 1007 89 ASP HA H 3.88 0.05 1 1008 89 ASP HB2 H 2.94 0.05 2 1009 89 ASP HB3 H 2.45 0.05 2 1010 89 ASP C C 177.78 0.1 1 1011 89 ASP CA C 58.35 0.1 1 1012 89 ASP CB C 40.49 0.1 1 1013 89 ASP N N 126.16 0.1 1 1014 90 GLN H H 8.48 0.05 1 1015 90 GLN HA H 3.66 0.05 1 1016 90 GLN HB2 H 2.05 0.05 2 1017 90 GLN HB3 H 1.78 0.05 2 1018 90 GLN HG2 H 2.35 0.05 2 1019 90 GLN HG3 H 2.17 0.05 2 1020 90 GLN HE21 H 7.89 0.05 2 1021 90 GLN HE22 H 6.66 0.05 2 1022 90 GLN C C 177.36 0.1 1 1023 90 GLN CA C 58.93 0.1 1 1024 90 GLN CB C 27.34 0.1 1 1025 90 GLN CG C 32.77 0.1 1 1026 90 GLN CD C 179.20 0.1 1 1027 90 GLN N N 118.85 0.1 1 1028 90 GLN NE2 N 112.02 0.1 1 1029 91 GLN H H 7.92 0.05 1 1030 91 GLN HA H 3.91 0.05 1 1031 91 GLN HB2 H 2.12 0.05 2 1032 91 GLN HB3 H 1.85 0.05 2 1033 91 GLN HG2 H 2.35 0.05 1 1034 91 GLN HG3 H 2.35 0.05 1 1035 91 GLN HE21 H 7.56 0.05 2 1036 91 GLN HE22 H 6.76 0.05 2 1037 91 GLN C C 178.99 0.1 1 1038 91 GLN CA C 58.93 0.1 1 1039 91 GLN CB C 28.19 0.1 1 1040 91 GLN CG C 34.66 0.1 1 1041 91 GLN CD C 180.36 0.1 1 1042 91 GLN N N 119.79 0.1 1 1043 91 GLN NE2 N 111.91 0.1 1 1044 92 ASN H H 7.53 0.05 1 1045 92 ASN HA H 4.27 0.05 1 1046 92 ASN HB2 H 1.62 0.05 2 1047 92 ASN HB3 H 1.58 0.05 2 1048 92 ASN HD21 H 6.96 0.05 2 1049 92 ASN HD22 H 6.40 0.05 2 1050 92 ASN C C 176.43 0.1 1 1051 92 ASN CA C 57.35 0.1 1 1052 92 ASN CB C 39.47 0.1 1 1053 92 ASN CG C 176.01 0.1 1 1054 92 ASN N N 118.67 0.1 1 1055 92 ASN ND2 N 112.48 0.1 1 1056 93 LYS H H 8.67 0.05 1 1057 93 LYS HA H 4.03 0.05 1 1058 93 LYS HB2 H 2.04 0.05 1 1059 93 LYS HB3 H 2.04 0.05 1 1060 93 LYS HG2 H 1.47 0.05 2 1061 93 LYS HG3 H 0.94 0.05 2 1062 93 LYS HD2 H 1.48 0.05 1 1063 93 LYS HD3 H 1.48 0.05 1 1064 93 LYS HE2 H 2.94 0.05 1 1065 93 LYS HE3 H 2.94 0.05 1 1066 93 LYS C C 179.06 0.1 1 1067 93 LYS CA C 60.02 0.1 1 1068 93 LYS CB C 32.15 0.1 1 1069 93 LYS CG C 25.04 0.1 1 1070 93 LYS CD C 29.68 0.1 1 1071 93 LYS CE C 42.00 0.1 1 1072 93 LYS N N 123.45 0.1 1 1073 94 GLU H H 8.12 0.05 1 1074 94 GLU HA H 3.79 0.05 1 1075 94 GLU HB2 H 2.07 0.05 2 1076 94 GLU HB3 H 1.99 0.05 2 1077 94 GLU HG2 H 2.35 0.05 2 1078 94 GLU HG3 H 2.24 0.05 2 1079 94 GLU C C 178.77 0.1 1 1080 94 GLU CA C 59.46 0.1 1 1081 94 GLU CB C 28.77 0.1 1 1082 94 GLU CG C 36.21 0.1 1 1083 94 GLU N N 120.41 0.1 1 1084 95 TYR H H 7.98 0.05 1 1085 95 TYR HA H 4.32 0.05 1 1086 95 TYR HB2 H 3.21 0.05 2 1087 95 TYR HB3 H 3.08 0.05 2 1088 95 TYR HD1 H 7.16 0.05 3 1089 95 TYR HE1 H 6.77 0.05 3 1090 95 TYR C C 178.36 0.1 1 1091 95 TYR CA C 61.48 0.1 1 1092 95 TYR CB C 38.52 0.1 1 1093 95 TYR CD1 C 133.18 0.1 3 1094 95 TYR CE1 C 117.92 0.1 3 1095 95 TYR N N 119.86 0.1 1 1096 96 CYS H H 8.21 0.05 1 1097 96 CYS HA H 3.92 0.05 1 1098 96 CYS HB2 H 2.78 0.05 2 1099 96 CYS HB3 H 2.64 0.05 2 1100 96 CYS C C 175.31 0.1 1 1101 96 CYS CA C 62.59 0.1 1 1102 96 CYS CB C 28.08 0.1 1 1103 96 CYS N N 113.91 0.1 1 1104 97 SER H H 7.59 0.05 1 1105 97 SER HA H 4.49 0.05 1 1106 97 SER HB2 H 3.86 0.05 1 1107 97 SER HB3 H 3.86 0.05 1 1108 97 SER C C 175.59 0.1 1 1109 97 SER CA C 58.35 0.1 1 1110 97 SER CB C 63.97 0.1 1 1111 97 SER N N 112.04 0.1 1 1112 98 LYS H H 6.99 0.05 1 1113 98 LYS HA H 4.17 0.05 1 1114 98 LYS HB2 H 1.92 0.05 2 1115 98 LYS HB3 H 1.69 0.05 2 1116 98 LYS HG2 H 1.44 0.05 2 1117 98 LYS HG3 H 1.16 0.05 2 1118 98 LYS HD2 H 1.70 0.05 2 1119 98 LYS HD3 H 1.39 0.05 2 1120 98 LYS HE2 H 2.81 0.05 1 1121 98 LYS HE3 H 2.81 0.05 1 1122 98 LYS C C 176.59 0.1 1 1123 98 LYS CA C 59.41 0.1 1 1125 98 LYS CG C 23.23 0.1 1 1126 98 LYS CD C 29.91 0.1 1 1127 98 LYS CE C 41.81 0.1 1 1128 98 LYS N N 123.57 0.1 1 1129 99 GLU H H 8.78 0.05 1 1130 99 GLU HA H 4.51 0.05 1 1131 99 GLU HB2 H 2.37 0.05 2 1132 99 GLU HB3 H 1.83 0.05 2 1133 99 GLU HG2 H 2.21 0.05 2 1134 99 GLU HG3 H 2.13 0.05 2 1135 99 GLU C C 177.36 0.1 1 1136 99 GLU CA C 56.59 0.1 1 1137 99 GLU CB C 29.34 0.1 1 1138 99 GLU CG C 37.12 0.1 1 1139 99 GLU N N 119.16 0.1 1 1140 100 GLY H H 7.89 0.05 1 1141 100 GLY HA2 H 3.94 0.05 2 1142 100 GLY HA3 H 3.75 0.05 2 1143 100 GLY C C 173.10 0.1 1 1144 100 GLY CA C 46.56 0.1 1 1145 100 GLY N N 106.06 0.1 1 1146 101 ASN H H 9.07 0.05 1 1147 101 ASN HA H 5.02 0.05 1 1148 101 ASN HB2 H 3.02 0.05 2 1149 101 ASN HB3 H 2.62 0.05 2 1150 101 ASN HD21 H 7.33 0.05 2 1151 101 ASN HD22 H 6.83 0.05 2 1152 101 ASN C C 173.41 0.1 1 1153 101 ASN CA C 51.19 0.1 1 1154 101 ASN CB C 38.67 0.1 1 1155 101 ASN CG C 177.31 0.1 1 1156 101 ASN N N 121.67 0.1 1 1157 101 ASN ND2 N 111.99 0.1 1 1158 102 LEU H H 8.50 0.05 1 1159 102 LEU HA H 4.45 0.05 1 1160 102 LEU HB2 H 1.72 0.05 2 1161 102 LEU HB3 H 1.18 0.05 2 1162 102 LEU HG H 1.58 0.05 1 1163 102 LEU HD1 H 0.84 0.05 2 1164 102 LEU HD2 H 0.73 0.05 2 1165 102 LEU C C 176.78 0.1 1 1166 102 LEU CA C 55.44 0.1 1 1167 102 LEU CB C 41.37 0.1 1 1168 102 LEU CG C 27.37 0.1 1 1169 102 LEU CD1 C 25.08 0.1 2 1170 102 LEU CD2 C 23.32 0.1 2 1171 102 LEU N N 122.46 0.1 1 1172 103 LEU H H 8.99 0.05 1 1173 103 LEU HA H 4.48 0.05 1 1174 103 LEU HB2 H 1.45 0.05 1 1175 103 LEU HB3 H 1.45 0.05 1 1176 103 LEU HG H 1.46 0.05 1 1177 103 LEU HD1 H 0.94 0.05 2 1178 103 LEU HD2 H 0.83 0.05 2 1179 103 LEU C C 176.17 0.1 1 1180 103 LEU CA C 55.95 0.1 1 1181 103 LEU CB C 43.41 0.1 1 1182 103 LEU CG C 27.54 0.1 1 1183 103 LEU CD1 C 24.44 0.1 2 1184 103 LEU CD2 C 25.41 0.1 2 1185 103 LEU N N 126.66 0.1 1 1186 104 MET H H 7.41 0.05 1 1187 104 MET HA H 4.50 0.05 1 1188 104 MET HB2 H 1.96 0.05 2 1189 104 MET HB3 H 1.64 0.05 2 1190 104 MET HG2 H 2.40 0.05 1 1191 104 MET HG3 H 2.40 0.05 1 1192 104 MET HE H 2.03 0.05 1 1193 104 MET C C 171.99 0.1 1 1194 104 MET CA C 55.83 0.1 1 1195 104 MET CB C 36.75 0.1 1 1196 104 MET CG C 32.34 0.1 1 1197 104 MET CE C 18.29 0.1 1 1198 104 MET N N 115.33 0.1 1 1199 105 GLU H H 8.24 0.05 1 1200 105 GLU HA H 5.18 0.05 1 1201 105 GLU HB2 H 1.95 0.05 1 1202 105 GLU HB3 H 1.95 0.05 1 1203 105 GLU HG2 H 2.43 0.05 2 1204 105 GLU HG3 H 2.26 0.05 2 1205 105 GLU C C 174.44 0.1 1 1206 105 GLU CA C 55.75 0.1 1 1208 105 GLU CG C 36.36 0.1 1 1209 105 GLU N N 124.77 0.1 1 1210 106 CYS H H 9.35 0.05 1 1211 106 CYS HA H 5.07 0.05 1 1212 106 CYS HB2 H 3.05 0.05 2 1213 106 CYS HB3 H 3.02 0.05 2 1215 106 CYS CA C 56.28 0.1 1 1216 106 CYS CB C 31.27 0.1 1 1217 106 CYS N N 122.97 0.1 1 1218 107 GLY H H 8.59 0.05 1 1219 107 GLY HA2 H 4.42 0.05 2 1220 107 GLY HA3 H 3.81 0.05 2 1221 107 GLY C C 173.61 0.1 1 1222 107 GLY CA C 44.93 0.1 1 1224 108 ALA H H 8.51 0.05 1 1225 108 ALA HA H 4.75 0.05 1 1226 108 ALA HB H 1.27 0.05 1 1227 108 ALA CA C 50.19 0.1 1 1228 108 ALA CB C 20.09 0.1 1 1229 108 ALA N N 124.70 0.1 1 1230 109 PRO HA H 3.79 0.05 1 1231 109 PRO HB2 H 1.60 0.05 2 1232 109 PRO HB3 H 1.38 0.05 2 1233 109 PRO HG2 H 1.78 0.05 2 1234 109 PRO HG3 H 1.03 0.05 2 1235 109 PRO HD2 H 3.36 0.05 2 1236 109 PRO HD3 H 3.14 0.05 2 1240 109 PRO CG C 26.92 0.1 1 1241 109 PRO CD C 50.07 0.1 1 1242 110 ARG H H 9.57 0.05 1 1243 110 ARG HA H 4.54 0.05 1 1244 110 ARG HB2 H 1.89 0.05 1 1245 110 ARG HB3 H 1.89 0.05 1 1246 110 ARG HG2 H 1.80 0.05 1 1247 110 ARG HG3 H 1.80 0.05 1 1248 110 ARG HD2 H 3.21 0.05 2 1249 110 ARG HD3 H 3.08 0.05 2 1250 110 ARG C C 176.39 0.1 1 1251 110 ARG CA C 53.79 0.1 1 1253 110 ARG CG C 26.76 0.1 1 1254 110 ARG CD C 42.50 0.1 1 1256 111 SER H H 8.54 0.05 1 1258 112 GLN HA H 4.39 0.05 1 1259 112 GLN HE21 H 7.59 0.05 2 1260 112 GLN HE22 H 6.84 0.05 2 1261 112 GLN C C 175.94 0.1 1 1262 112 GLN CA C 56.22 0.1 1 1263 112 GLN CD C 180.29 0.1 1 1264 112 GLN NE2 N 112.52 0.1 1 1265 113 GLY HA2 H 3.93 0.05 1 1266 113 GLY HA3 H 3.93 0.05 1 1267 113 GLY C C 173.49 0.1 1 1268 113 GLY CA C 45.20 0.1 1 1269 114 GLN H H 8.23 0.05 1 1270 114 GLN HA H 4.32 0.05 1 1271 114 GLN HB2 H 2.10 0.05 2 1272 114 GLN HB3 H 1.98 0.05 2 1273 114 GLN HG2 H 2.33 0.05 1 1274 114 GLN HG3 H 2.33 0.05 1 1275 114 GLN HE21 H 7.62 0.05 2 1276 114 GLN HE22 H 6.88 0.05 2 1280 114 GLN CG C 33.77 0.1 1 1281 114 GLN CD C 180.45 0.1 1 1283 114 GLN NE2 N 112.76 0.1 1 1284 115 ARG H H 8.09 0.05 1 1285 115 ARG HA H 4.15 0.05 1 1286 115 ARG HB2 H 1.83 0.05 2 1287 115 ARG HB3 H 1.70 0.05 2 1288 115 ARG HG2 H 1.59 0.05 1 1289 115 ARG HG3 H 1.59 0.05 1 1290 115 ARG HD2 H 3.15 0.05 1 1291 115 ARG HD3 H 3.15 0.05 1 1295 115 ARG CG C 27.13 0.1 1 1296 115 ARG CD C 43.27 0.1 1 stop_ save_