data_6121 #Corrected using PDB structure: 2DHSA # #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 # 17 K HA 4.40 5.25 # 31 D HA 3.78 4.99 # 34 E HA 3.97 4.70 # 37 E HA 5.11 4.37 # 47 V HA 3.77 4.66 # 49 R HA 5.03 4.27 # 57 Q HA 4.64 3.82 # 65 T HA 4.95 5.70 # 67 Y HA 3.83 4.63 # 75 A HA 2.86 3.98 # 92 I HA 3.99 5.61 # 93 Q HA 5.39 4.68 #114 M HA 4.24 4.95 #128 F HA 4.85 3.80 #139 I HA 4.26 5.02 #155 F HA 5.48 4.68 #170 Q HA 3.88 4.59 #172 Q HA 4.64 3.66 #175 E HA 4.03 4.79 #178 S HA 4.46 3.74 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 54 N CA 49.53 56.57 # 67 Y CA 64.38 57.82 # 80 H CA 59.13 53.83 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 85 L CB 38.96 44.23 #150 C CB 44.58 35.58 #171 A CB 20.33 26.30 #175 E CB 29.60 34.83 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 3 G C 178.38 173.15 #179 S C 182.01 173.20 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 22 Q N 109.00 124.31 # 25 R N 124.45 112.31 # 42 V N 125.89 114.88 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.01 -0.13 -0.01 -0.19 -0.40 -0.18 # #bmr6121.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6121.str file): #HA CA CB CO N HN #N/A -0.07 -0.07 -0.19 -0.40 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.15 +/-0.16 +/-0.13 +/-0.34 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.686 0.924 0.988 0.710 0.711 0.432 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.178 0.994 1.058 0.846 2.228 0.401 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C chemical shift assignments of CUG binding protein-CUGBP ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jun Kyu-Yeon . . 2 Xia Youlin . . 3 Han Xiaogang . . 4 Timchenko Lubov T. . 5 Swanson Maurice S. . 6 Gao Xiaolian . . stop_ _BMRB_accession_number 6121 _BMRB_flat_file_name bmr6121.str _Entry_type new _Submission_date 2004-02-26 _Accession_date 2004-03-02 _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 '1H chemical shifts' 1005 '15N chemical shifts' 201 '13C chemical shifts' 748 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-05-09 update author "modified the residue sequence" 2004-12-16 original author "original release" stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: 1H, 15N, and 13C chemical shift assignments of RNA repeats binding protein - CUGBP1ab ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jun Kyu-Yeon . . 2 Xia Youlin . . 3 Han Xiaogang . . 4 Zhang Hua . . 5 Timchenko Lubov T. . 6 Swanson Maurice S. . 7 Gao Xiaolian . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 30 _Journal_issue 3 _Page_first 371 _Page_last 372 _Year 2004 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CUG-BP _Abbreviation_common CUG-BP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "CUG binding protein" $CUG_binding_protein stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" loop_ _Biological_function "RNA binding protein" stop_ save_ ######################## # Monomeric polymers # ######################## save_CUG_binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CUG-BP _Name_variant CUG-BP _Abbreviation_common CUG-BP _Molecular_mass 21100 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; MNGTLDHPDQPDLDAIKMFV GQVPRTWSEKDLRELFEQYG AVYEINVLRDRSQNPPQSKG CCFVTFYTRKAALEAQNALH NMKVLPGMHHPIQMKPADSE KNNAVEDRKLFIGMISKKCT ENDIRVMFSSFGQIEECRIL RGPDGLSRGCAFVTFTTRAM AQTAIKAMHQAQTMEGCSSP MVVKFAD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 GLY 4 THR 5 LEU 6 ASP 7 HIS 8 PRO 9 ASP 10 GLN 11 PRO 12 ASP 13 LEU 14 ASP 15 ALA 16 ILE 17 LYS 18 MET 19 PHE 20 VAL 21 GLY 22 GLN 23 VAL 24 PRO 25 ARG 26 THR 27 TRP 28 SER 29 GLU 30 LYS 31 ASP 32 LEU 33 ARG 34 GLU 35 LEU 36 PHE 37 GLU 38 GLN 39 TYR 40 GLY 41 ALA 42 VAL 43 TYR 44 GLU 45 ILE 46 ASN 47 VAL 48 LEU 49 ARG 50 ASP 51 ARG 52 SER 53 GLN 54 ASN 55 PRO 56 PRO 57 GLN 58 SER 59 LYS 60 GLY 61 CYS 62 CYS 63 PHE 64 VAL 65 THR 66 PHE 67 TYR 68 THR 69 ARG 70 LYS 71 ALA 72 ALA 73 LEU 74 GLU 75 ALA 76 GLN 77 ASN 78 ALA 79 LEU 80 HIS 81 ASN 82 MET 83 LYS 84 VAL 85 LEU 86 PRO 87 GLY 88 MET 89 HIS 90 HIS 91 PRO 92 ILE 93 GLN 94 MET 95 LYS 96 PRO 97 ALA 98 ASP 99 SER 100 GLU 101 LYS 102 ASN 103 ASN 104 ALA 105 VAL 106 GLU 107 ASP 108 ARG 109 LYS 110 LEU 111 PHE 112 ILE 113 GLY 114 MET 115 ILE 116 SER 117 LYS 118 LYS 119 CYS 120 THR 121 GLU 122 ASN 123 ASP 124 ILE 125 ARG 126 VAL 127 MET 128 PHE 129 SER 130 SER 131 PHE 132 GLY 133 GLN 134 ILE 135 GLU 136 GLU 137 CYS 138 ARG 139 ILE 140 LEU 141 ARG 142 GLY 143 PRO 144 ASP 145 GLY 146 LEU 147 SER 148 ARG 149 GLY 150 CYS 151 ALA 152 PHE 153 VAL 154 THR 155 PHE 156 THR 157 THR 158 ARG 159 ALA 160 MET 161 ALA 162 GLN 163 THR 164 ALA 165 ILE 166 LYS 167 ALA 168 MET 169 HIS 170 GLN 171 ALA 172 GLN 173 THR 174 MET 175 GLU 176 GLY 177 CYS 178 SER 179 SER 180 PRO 181 MET 182 VAL 183 VAL 184 LYS 185 PHE 186 ALA 187 ASP stop_ _Sequence_homology_query_date 2009-09-02 _Sequence_homology_query_revised_last_date 2008-12-06 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DHS "Solution Structure Of Nucleic Acid Binding Protein Cugbp1ab And Its Binding Study With Dna And Rna" 100.00 187 100.00 100.00 4.32e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CUG_binding_protein 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 _Vector_type _Vector_name _Details $CUG_binding_protein 'recombinant technology' "E. coli" Escherichia coli Novagen plasmid pET15b . 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 $CUG_binding_protein 0.5 mM "[U-95% 13C; U-90% 15N]" stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Saveframe_category software _Name nmrPipe loop_ _Task "Data processing" stop_ _Details ; Delaglio Frank J. Biomol. NMR NMRPipe: a multidimensional spectral processing system based on UNIX pipes ; save_ save_Sparky _Saveframe_category software _Name Sparky loop_ _Task "Data analysis" stop_ _Details ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, SanFrancisco ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name ; HSQC HNCACB HN(CO)CACB CBCA(CO)NH HBHANH HBHA(CO)NH HNCO H(CCCO)NH C(CCO)NH HCCH-TOCSY HCCH-COSY (HB)CB(CGCD)HD (HB)CB(CGCDCE)HE HNHA 'Time-sharing H-CN-H NOESY' HNCA HN(CO)CA ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.05 n/a temperature 298 0.05 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Reference_correction_type _Correction_value water H 1 protons ppm 4.76 internal direct . . . . . 1.0 DSS N 15 "methyl protons" ppm 0.00 external indirect . . . . . 0.101329118 DSS C 13 "methyl protons" ppm 0.00 external indirect . . . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "CUG binding protein" 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 1 MET CA C 55.54 0.20 1 2 1 MET CB C 32.64 0.20 1 3 1 MET H H 8.52 0.02 1 4 1 MET HA H 4.46 0.02 1 5 1 MET HB2 H 2.07 0.02 2 6 1 MET HB3 H 1.99 0.02 2 7 1 MET N N 117.57 0.20 1 8 2 ASN C C 175.30 0.20 1 9 2 ASN CA C 53.33 0.20 1 10 2 ASN CB C 38.83 0.20 1 11 2 ASN H H 8.50 0.02 1 12 2 ASN HA H 4.70 0.02 1 13 2 ASN HB2 H 2.82 0.02 2 14 2 ASN HB3 H 2.71 0.02 2 15 2 ASN N N 119.44 0.20 1 16 3 GLY C C 178.38 0.20 1 17 3 GLY CA C 45.63 0.20 1 18 3 GLY H H 8.41 0.02 1 19 3 GLY HA3 H 3.98 0.02 2 20 3 GLY N N 108.80 0.20 1 21 4 THR C C 177.04 0.20 1 22 4 THR CA C 61.90 0.20 1 23 4 THR CB C 69.87 0.20 1 24 4 THR CG2 C 21.78 0.20 1 25 4 THR H H 8.03 0.02 1 26 4 THR HA H 4.36 0.02 1 27 4 THR HB H 4.22 0.02 1 28 4 THR HG2 H 1.21 0.02 1 29 4 THR N N 113.16 0.20 1 30 5 LEU C C 176.75 0.20 1 31 5 LEU CA C 55.07 0.20 1 32 5 LEU CB C 42.36 0.20 1 33 5 LEU CD1 C 24.97 0.20 2 34 5 LEU CD2 C 23.50 0.20 2 35 5 LEU CG C 26.94 0.20 1 36 5 LEU H H 8.26 0.02 1 37 5 LEU HA H 4.36 0.02 1 38 5 LEU HB3 H 1.59 0.02 2 39 5 LEU HD1 H 0.89 0.02 1 40 5 LEU HD2 H 0.87 0.02 1 41 5 LEU HG H 1.60 0.02 1 42 5 LEU N N 123.07 0.20 1 43 6 ASP C C 175.18 0.20 1 44 6 ASP CA C 54.39 0.20 1 45 6 ASP CB C 41.14 0.20 1 46 6 ASP H H 8.19 0.02 1 47 6 ASP HA H 4.49 0.02 1 48 6 ASP HB3 H 2.55 0.02 2 49 6 ASP N N 120.13 0.20 1 50 7 HIS C C 172.11 0.20 1 51 7 HIS CA C 53.12 0.20 1 52 7 HIS CB C 28.43 0.20 1 53 7 HIS H H 7.95 0.02 1 54 7 HIS HA H 4.86 0.02 1 55 7 HIS HB2 H 3.04 0.02 2 56 7 HIS HB3 H 2.68 0.02 2 57 7 HIS HD2 H 7.29 0.02 1 58 7 HIS N N 116.35 0.20 1 59 8 PRO C C 176.17 0.20 1 60 8 PRO CA C 62.51 0.20 1 61 8 PRO CB C 32.36 0.20 1 62 8 PRO CD C 50.16 0.20 1 63 8 PRO CG C 27.29 0.20 1 64 8 PRO HA H 4.54 0.02 1 65 8 PRO HB2 H 2.37 0.02 2 66 8 PRO HB3 H 1.98 0.02 2 67 8 PRO HD2 H 3.64 0.02 2 68 8 PRO HD3 H 3.13 0.02 2 69 8 PRO HG2 H 1.97 0.02 2 70 8 PRO HG3 H 1.87 0.02 2 71 9 ASP C C 175.47 0.20 1 72 9 ASP CA C 55.36 0.20 1 73 9 ASP CB C 41.06 0.20 1 74 9 ASP H H 8.69 0.02 1 75 9 ASP HA H 4.74 0.02 1 76 9 ASP HB2 H 2.82 0.02 2 77 9 ASP HB3 H 2.74 0.02 2 78 9 ASP N N 119.82 0.20 1 79 10 GLN C C 172.21 0.20 1 80 10 GLN CA C 52.78 0.20 1 81 10 GLN CB C 30.33 0.20 1 82 10 GLN CG C 32.83 0.20 1 83 10 GLN H H 7.96 0.02 1 84 10 GLN HA H 4.55 0.02 1 85 10 GLN HB2 H 2.07 0.02 2 86 10 GLN HB3 H 1.78 0.02 2 87 10 GLN HE21 H 7.54 0.02 2 88 10 GLN HE22 H 6.82 0.02 2 89 10 GLN HG3 H 2.29 0.02 2 90 10 GLN N N 117.04 0.20 1 91 10 GLN NE2 N 112.13 0.20 1 92 11 PRO C C 174.98 0.20 1 93 11 PRO CA C 62.44 0.20 1 94 11 PRO CB C 31.51 0.20 1 95 11 PRO CD C 49.48 0.20 1 96 11 PRO CG C 27.48 0.20 1 97 11 PRO HA H 4.50 0.02 1 98 11 PRO HB2 H 1.75 0.02 2 99 11 PRO HB3 H 1.69 0.02 2 100 11 PRO HD3 H 3.05 0.02 2 101 11 PRO HG2 H 1.48 0.02 2 102 11 PRO HG3 H 0.76 0.02 2 103 12 ASP C C 177.61 0.20 1 104 12 ASP CA C 54.61 0.20 1 105 12 ASP CB C 41.09 0.20 1 106 12 ASP H H 8.90 0.02 1 107 12 ASP HA H 4.57 0.02 1 108 12 ASP HB2 H 2.96 0.02 2 109 12 ASP HB3 H 2.86 0.02 2 110 12 ASP N N 121.36 0.20 1 111 13 LEU C C 177.20 0.20 1 112 13 LEU CA C 57.60 0.20 1 113 13 LEU CB C 41.49 0.20 1 114 13 LEU CD1 C 24.85 0.20 2 115 13 LEU CD2 C 23.61 0.20 2 116 13 LEU CG C 27.06 0.20 1 117 13 LEU H H 8.78 0.02 1 118 13 LEU HA H 4.06 0.02 1 119 13 LEU HB2 H 1.72 0.02 2 120 13 LEU HB3 H 1.57 0.02 2 121 13 LEU HD1 H 0.94 0.02 1 122 13 LEU HD2 H 0.90 0.02 1 123 13 LEU HG H 1.75 0.02 1 124 13 LEU N N 120.55 0.20 1 125 14 ASP C C 175.45 0.20 1 126 14 ASP CA C 51.88 0.20 1 127 14 ASP CB C 39.50 0.20 1 128 14 ASP H H 8.22 0.02 1 129 14 ASP HA H 4.65 0.02 1 130 14 ASP HB2 H 2.96 0.02 2 131 14 ASP HB3 H 2.48 0.02 2 132 14 ASP N N 114.40 0.20 1 133 15 ALA C C 176.91 0.20 1 134 15 ALA CA C 53.31 0.20 1 135 15 ALA CB C 19.56 0.20 1 136 15 ALA H H 7.22 0.02 1 137 15 ALA HA H 3.84 0.02 1 138 15 ALA HB H 1.36 0.02 1 139 15 ALA N N 120.77 0.20 1 140 16 ILE C C 174.12 0.20 1 141 16 ILE CA C 59.49 0.20 1 142 16 ILE CB C 42.57 0.20 1 143 16 ILE CD1 C 14.24 0.20 1 144 16 ILE CG2 C 17.46 0.20 1 145 16 ILE H H 8.53 0.02 1 146 16 ILE HA H 4.34 0.02 1 147 16 ILE HB H 1.57 0.02 1 148 16 ILE HD1 H 0.86 0.02 1 149 16 ILE HG2 H 0.90 0.02 1 150 16 ILE N N 119.75 0.20 1 151 17 LYS C C 175.72 0.20 1 152 17 LYS CA C 56.96 0.20 1 153 17 LYS CB C 32.53 0.20 1 154 17 LYS CD C 34.01 0.20 1 155 17 LYS CG C 24.42 0.20 1 156 17 LYS H H 8.72 0.02 1 157 17 LYS HA H 4.39 0.02 1 158 17 LYS HB2 H 1.72 0.02 2 159 17 LYS HB3 H 1.63 0.02 2 160 17 LYS N N 127.82 0.20 1 161 18 MET C C 174.89 0.20 1 162 18 MET CA C 54.10 0.20 1 163 18 MET CB C 34.65 0.20 1 164 18 MET CG C 32.69 0.20 1 165 18 MET H H 8.66 0.02 1 166 18 MET HA H 5.01 0.02 1 167 18 MET HB2 H 2.21 0.02 2 168 18 MET HB3 H 1.56 0.02 2 169 18 MET HG2 H 2.69 0.02 2 170 18 MET HG3 H 2.53 0.02 2 171 18 MET N N 126.66 0.20 1 172 19 PHE C C 173.14 0.20 1 173 19 PHE CA C 57.69 0.20 1 174 19 PHE CB C 40.73 0.20 1 175 19 PHE CD1 C 132.02 0.20 1 176 19 PHE CZ C 129.57 0.20 1 177 19 PHE H H 9.71 0.02 1 178 19 PHE HA H 4.92 0.02 1 179 19 PHE HB2 H 3.05 0.02 2 180 19 PHE HB3 H 3.01 0.02 2 181 19 PHE HD1 H 6.77 0.02 2 182 19 PHE HE1 H 7.07 0.02 2 183 19 PHE HZ H 7.27 0.02 1 184 19 PHE N N 124.50 0.20 1 185 20 VAL C C 174.04 0.20 1 186 20 VAL CA C 60.16 0.20 1 187 20 VAL CB C 33.17 0.20 1 188 20 VAL CG1 C 21.58 0.20 2 189 20 VAL CG2 C 21.39 0.20 2 190 20 VAL H H 8.37 0.02 1 191 20 VAL HA H 4.98 0.02 1 192 20 VAL HB H 2.18 0.02 1 193 20 VAL HG1 H 0.75 0.02 1 194 20 VAL HG2 H 0.89 0.02 1 195 20 VAL N N 128.46 0.20 1 196 21 GLY C C 172.82 0.20 1 197 21 GLY CA C 42.69 0.20 1 198 21 GLY H H 9.23 0.02 1 199 21 GLY HA2 H 4.29 0.02 2 200 21 GLY HA3 H 4.02 0.02 2 201 21 GLY N N 111.85 0.20 1 202 22 GLN C C 173.93 0.20 1 203 22 GLN CA C 56.19 0.20 1 204 22 GLN CB C 24.33 0.20 1 205 22 GLN H H 8.23 0.02 1 206 22 GLN HA H 3.70 0.02 1 207 22 GLN HB2 H 2.39 0.02 2 208 22 GLN HB3 H 1.96 0.02 2 209 22 GLN HE21 H 7.32 0.02 2 210 22 GLN HE22 H 6.69 0.02 2 211 22 GLN HG3 H 2.16 0.02 2 212 22 GLN N N 109.00 0.20 1 213 22 GLN NE2 N 111.77 0.20 1 214 23 VAL C C 173.41 0.20 1 215 23 VAL CA C 57.54 0.20 1 216 23 VAL CB C 32.85 0.20 1 217 23 VAL CG1 C 19.60 0.20 2 218 23 VAL CG2 C 21.55 0.20 2 219 23 VAL H H 7.24 0.02 1 220 23 VAL HA H 4.27 0.02 1 221 23 VAL HB H 1.44 0.02 1 222 23 VAL HG1 H 0.48 0.02 1 223 23 VAL HG2 H 0.75 0.02 1 224 23 VAL N N 114.11 0.20 1 225 24 PRO C C 179.48 0.20 1 226 24 PRO CA C 63.38 0.20 1 227 24 PRO CB C 32.23 0.20 1 228 24 PRO CD C 51.04 0.20 1 229 24 PRO CG C 27.43 0.20 1 230 24 PRO HA H 4.41 0.02 1 231 24 PRO HB2 H 2.29 0.02 2 232 24 PRO HB3 H 1.90 0.02 2 233 24 PRO HD2 H 3.88 0.02 2 234 24 PRO HD3 H 3.67 0.02 2 235 24 PRO HG2 H 2.06 0.02 2 236 24 PRO HG3 H 1.97 0.02 2 237 25 ARG C C 175.63 0.20 1 238 25 ARG CA C 58.78 0.20 1 239 25 ARG CB C 29.91 0.20 1 240 25 ARG CD C 43.25 0.20 1 241 25 ARG CG C 28.17 0.20 1 242 25 ARG H H 9.15 0.02 1 243 25 ARG HA H 3.93 0.02 1 244 25 ARG HB2 H 2.03 0.02 2 245 25 ARG HB3 H 1.82 0.02 2 246 25 ARG HD3 H 3.22 0.02 2 247 25 ARG HE H 7.11 0.02 1 248 25 ARG HG2 H 1.84 0.02 2 249 25 ARG HG3 H 1.49 0.02 2 250 25 ARG N N 124.45 0.20 1 251 25 ARG NE N 84.62 0.20 1 252 26 THR C C 175.70 0.20 1 253 26 THR CA C 61.32 0.20 1 254 26 THR CB C 69.13 0.20 1 255 26 THR CG2 C 22.37 0.20 1 256 26 THR H H 7.19 0.02 1 257 26 THR HA H 4.33 0.02 1 258 26 THR HB H 4.59 0.02 1 259 26 THR HG2 H 1.27 0.02 1 260 26 THR N N 102.91 0.20 1 261 27 TRP C C 176.34 0.20 1 262 27 TRP CA C 58.08 0.20 1 263 27 TRP CB C 29.41 0.20 1 264 27 TRP H H 7.44 0.02 1 265 27 TRP HA H 4.97 0.02 1 266 27 TRP HB2 H 3.20 0.02 2 267 27 TRP HB3 H 3.04 0.02 2 268 27 TRP HD1 H 7.08 0.02 1 269 27 TRP HE1 H 10.22 0.02 1 270 27 TRP HZ2 H 7.42 0.02 1 271 27 TRP N N 122.17 0.20 1 272 27 TRP NE1 N 129.22 0.20 1 273 28 SER C C 174.39 0.20 1 274 28 SER CA C 56.00 0.20 1 275 28 SER CB C 66.79 0.20 1 276 28 SER H H 9.82 0.02 1 277 28 SER HA H 4.76 0.02 1 278 28 SER HB2 H 4.29 0.02 2 279 28 SER HB3 H 4.04 0.02 2 280 28 SER N N 120.36 0.20 1 281 29 GLU C C 177.40 0.20 1 282 29 GLU CA C 61.93 0.20 1 283 29 GLU CB C 28.48 0.20 1 284 29 GLU CG C 38.09 0.20 1 285 29 GLU H H 9.87 0.02 1 286 29 GLU HA H 3.75 0.02 1 287 29 GLU HB2 H 2.17 0.02 2 288 29 GLU HB3 H 1.97 0.02 2 289 29 GLU HG2 H 2.65 0.02 2 290 29 GLU HG3 H 2.21 0.02 2 291 29 GLU N N 120.60 0.20 1 292 30 LYS C C 178.02 0.20 1 293 30 LYS CA C 59.67 0.20 1 294 30 LYS CB C 32.26 0.20 1 295 30 LYS CD C 29.28 0.20 1 296 30 LYS CE C 42.02 0.20 1 297 30 LYS CG C 24.53 0.20 1 298 30 LYS H H 8.10 0.02 1 299 30 LYS HA H 3.92 0.02 1 300 30 LYS HB2 H 1.79 0.02 2 301 30 LYS HB3 H 1.58 0.02 2 302 30 LYS HD3 H 1.55 0.02 2 303 30 LYS HE3 H 2.91 0.02 2 304 30 LYS HG2 H 1.26 0.02 2 305 30 LYS HG3 H 1.37 0.02 2 306 30 LYS N N 118.34 0.20 1 307 31 ASP C C 178.32 0.20 1 308 31 ASP CA C 56.76 0.20 1 309 31 ASP CB C 41.10 0.20 1 310 31 ASP H H 7.02 0.02 1 311 31 ASP HA H 3.77 0.02 1 312 31 ASP HB3 H 2.12 0.02 2 313 31 ASP N N 118.14 0.20 1 314 32 LEU C C 177.46 0.20 1 315 32 LEU CA C 57.27 0.20 1 316 32 LEU CB C 42.58 0.20 1 317 32 LEU CD1 C 23.55 0.20 2 318 32 LEU CD2 C 26.29 0.20 2 319 32 LEU CG C 28.44 0.20 1 320 32 LEU H H 7.72 0.02 1 321 32 LEU HA H 3.95 0.02 1 322 32 LEU HB2 H 1.94 0.02 2 323 32 LEU HB3 H 1.55 0.02 2 324 32 LEU HD1 H 1.13 0.02 1 325 32 LEU HD2 H 0.92 0.02 1 326 32 LEU HG H 1.92 0.02 1 327 32 LEU N N 117.94 0.20 1 328 33 ARG C C 176.82 0.20 1 329 33 ARG CA C 61.39 0.20 1 330 33 ARG CB C 29.62 0.20 1 331 33 ARG CD C 42.89 0.20 1 332 33 ARG CG C 29.48 0.20 1 333 33 ARG H H 8.82 0.02 1 334 33 ARG HA H 3.72 0.02 1 335 33 ARG HB2 H 1.88 0.02 2 336 33 ARG HB3 H 1.47 0.02 2 337 33 ARG HD2 H 3.30 0.02 2 338 33 ARG HD3 H 3.05 0.02 2 339 33 ARG HE H 7.88 0.02 1 340 33 ARG HG2 H 1.88 0.02 2 341 33 ARG HG3 H 1.47 0.02 2 342 33 ARG N N 120.99 0.20 1 343 33 ARG NE N 84.79 0.20 1 344 34 GLU C C 178.53 0.20 1 345 34 GLU CA C 58.99 0.20 1 346 34 GLU CB C 29.01 0.20 1 347 34 GLU CG C 36.38 0.20 1 348 34 GLU H H 7.41 0.02 1 349 34 GLU HA H 3.96 0.02 1 350 34 GLU HB3 H 1.94 0.02 2 351 34 GLU HG2 H 2.36 0.02 2 352 34 GLU HG3 H 2.16 0.02 2 353 34 GLU N N 115.84 0.20 1 354 35 LEU C C 178.19 0.20 1 355 35 LEU CA C 57.60 0.20 1 356 35 LEU CB C 41.95 0.20 1 357 35 LEU CD1 C 26.45 0.20 2 358 35 LEU CD2 C 23.25 0.20 2 359 35 LEU CG C 27.39 0.20 1 360 35 LEU H H 6.96 0.02 1 361 35 LEU HA H 4.26 0.02 1 362 35 LEU HB2 H 1.85 0.02 2 363 35 LEU HB3 H 1.58 0.02 2 364 35 LEU HD1 H 0.64 0.02 1 365 35 LEU HD2 H 1.00 0.02 1 366 35 LEU HG H 1.11 0.02 1 367 35 LEU N N 118.13 0.20 1 368 36 PHE C C 178.07 0.20 1 369 36 PHE CA C 61.44 0.20 1 370 36 PHE CB C 39.22 0.20 1 371 36 PHE H H 8.43 0.02 1 372 36 PHE HA H 4.77 0.02 1 373 36 PHE HB2 H 3.38 0.02 2 374 36 PHE HB3 H 2.71 0.02 2 375 36 PHE HD1 H 7.20 0.02 2 376 36 PHE HE1 H 6.97 0.02 2 377 36 PHE N N 114.16 0.20 1 378 37 GLU C C 177.76 0.20 1 379 37 GLU CA C 58.13 0.20 1 380 37 GLU CB C 28.61 0.20 1 381 37 GLU CG C 38.81 0.20 1 382 37 GLU H H 9.09 0.02 1 383 37 GLU HA H 5.10 0.02 1 384 37 GLU HB2 H 2.19 0.02 2 385 37 GLU HB3 H 2.09 0.02 2 386 37 GLU HG2 H 2.63 0.02 2 387 37 GLU HG3 H 2.52 0.02 2 388 37 GLU N N 117.01 0.20 1 389 38 GLN C C 176.57 0.20 1 390 38 GLN CA C 57.95 0.20 1 391 38 GLN CB C 28.63 0.20 1 392 38 GLN CG C 33.87 0.20 1 393 38 GLN H H 7.15 0.02 1 394 38 GLN HA H 4.01 0.02 1 395 38 GLN HB2 H 1.77 0.02 2 396 38 GLN HB3 H 1.59 0.02 2 397 38 GLN HE21 H 7.69 0.02 2 398 38 GLN HE22 H 6.86 0.02 2 399 38 GLN HG3 H 2.10 0.02 2 400 38 GLN N N 116.30 0.20 1 401 38 GLN NE2 N 112.16 0.20 1 402 39 TYR C C 174.59 0.20 1 403 39 TYR CA C 59.12 0.20 1 404 39 TYR CB C 39.10 0.20 1 405 39 TYR CD1 C 132.85 0.20 1 406 39 TYR H H 8.18 0.02 1 407 39 TYR HA H 4.39 0.02 1 408 39 TYR HB2 H 3.12 0.02 2 409 39 TYR HB3 H 2.94 0.02 2 410 39 TYR HD1 H 7.36 0.02 2 411 39 TYR HE1 H 6.72 0.02 2 412 39 TYR N N 115.71 0.20 1 413 40 GLY C C 170.34 0.20 1 414 40 GLY CA C 44.32 0.20 1 415 40 GLY H H 7.44 0.02 1 416 40 GLY HA2 H 4.28 0.02 2 417 40 GLY HA3 H 3.99 0.02 2 418 40 GLY N N 105.64 0.20 1 419 41 ALA C C 178.62 0.20 1 420 41 ALA CA C 52.93 0.20 1 421 41 ALA CB C 19.30 0.20 1 422 41 ALA H H 8.13 0.02 1 423 41 ALA HA H 4.62 0.02 1 424 41 ALA HB H 1.48 0.02 1 425 41 ALA N N 118.22 0.20 1 426 42 VAL C C 174.50 0.20 1 427 42 VAL CA C 62.90 0.20 1 428 42 VAL CB C 34.02 0.20 1 429 42 VAL CG1 C 22.85 0.20 2 430 42 VAL CG2 C 22.25 0.20 2 431 42 VAL H H 9.65 0.02 1 432 42 VAL HA H 3.77 0.02 1 433 42 VAL HB H 1.94 0.02 1 434 42 VAL HG1 H 0.58 0.02 1 435 42 VAL HG2 H 0.39 0.02 1 436 42 VAL N N 125.89 0.20 1 437 43 TYR C C 174.50 0.20 1 438 43 TYR CA C 59.21 0.20 1 439 43 TYR CB C 38.02 0.20 1 440 43 TYR CD1 C 133.41 0.20 1 441 43 TYR H H 8.34 0.02 1 442 43 TYR HA H 4.05 0.02 1 443 43 TYR HB2 H 2.01 0.02 2 444 43 TYR HB3 H 1.13 0.02 2 445 43 TYR HD1 H 6.71 0.02 2 446 43 TYR HE1 H 6.78 0.02 2 447 43 TYR N N 129.09 0.20 1 448 44 GLU C C 173.59 0.20 1 449 44 GLU CA C 55.48 0.20 1 450 44 GLU CB C 34.51 0.20 1 451 44 GLU CG C 36.60 0.20 1 452 44 GLU H H 7.31 0.02 1 453 44 GLU HA H 4.31 0.02 1 454 44 GLU HB2 H 1.56 0.02 2 455 44 GLU HB3 H 1.50 0.02 2 456 44 GLU HG2 H 1.74 0.02 2 457 44 GLU HG3 H 1.86 0.02 2 458 44 GLU N N 116.26 0.20 1 459 45 ILE C C 173.43 0.20 1 460 45 ILE CA C 59.76 0.20 1 461 45 ILE CB C 41.03 0.20 1 462 45 ILE CD1 C 14.79 0.20 1 463 45 ILE CG1 C 26.84 0.20 1 464 45 ILE CG2 C 17.62 0.20 1 465 45 ILE H H 8.57 0.02 1 466 45 ILE HA H 4.77 0.02 1 467 45 ILE HB H 1.63 0.02 1 468 45 ILE HD1 H 0.90 0.02 1 469 45 ILE HG13 H 1.48 0.02 2 470 45 ILE HG2 H 0.90 0.02 1 471 45 ILE N N 125.56 0.20 1 472 46 ASN C C 174.37 0.20 1 473 46 ASN CA C 51.81 0.20 1 474 46 ASN CB C 41.52 0.20 1 475 46 ASN H H 8.90 0.02 1 476 46 ASN HA H 5.21 0.02 1 477 46 ASN HB2 H 2.89 0.02 2 478 46 ASN HB3 H 2.67 0.02 2 479 46 ASN HD21 H 7.45 0.02 2 480 46 ASN HD22 H 6.96 0.02 2 481 46 ASN N N 124.04 0.20 1 482 46 ASN ND2 N 110.92 0.20 1 483 47 VAL C C 175.18 0.20 1 484 47 VAL CA C 63.62 0.20 1 485 47 VAL CB C 32.40 0.20 1 486 47 VAL CG1 C 20.48 0.20 2 487 47 VAL CG2 C 22.69 0.20 2 488 47 VAL H H 9.08 0.02 1 489 47 VAL HA H 3.76 0.02 1 490 47 VAL HB H 2.01 0.02 1 491 47 VAL HG1 H 0.96 0.02 1 492 47 VAL HG2 H 0.84 0.02 1 493 47 VAL N N 126.61 0.20 1 494 48 LEU C C 175.71 0.20 1 495 48 LEU CA C 55.55 0.20 1 496 48 LEU CB C 41.00 0.20 1 497 48 LEU CD1 C 23.71 0.20 2 498 48 LEU CD2 C 24.46 0.20 2 499 48 LEU CG C 28.17 0.20 1 500 48 LEU H H 7.92 0.02 1 501 48 LEU HA H 4.47 0.02 1 502 48 LEU HB2 H 1.74 0.02 2 503 48 LEU HB3 H 1.41 0.02 2 504 48 LEU HD1 H 0.87 0.02 1 505 48 LEU HD2 H 0.72 0.02 1 506 48 LEU HG H 1.53 0.02 1 507 48 LEU N N 129.40 0.20 1 508 49 ARG C C 174.97 0.20 1 509 49 ARG CA C 54.42 0.20 1 510 49 ARG CB C 34.16 0.20 1 511 49 ARG CD C 43.22 0.20 1 512 49 ARG CG C 28.79 0.20 1 513 49 ARG H H 8.52 0.02 1 514 49 ARG HA H 5.02 0.02 1 515 49 ARG HB2 H 1.60 0.02 2 516 49 ARG HB3 H 1.28 0.02 2 517 49 ARG HD2 H 3.13 0.02 2 518 49 ARG HD3 H 2.87 0.02 2 519 49 ARG HE H 7.44 0.02 1 520 49 ARG HG2 H 1.72 0.02 2 521 49 ARG HG3 H 1.23 0.02 2 522 49 ARG N N 120.55 0.20 1 523 49 ARG NE N 84.87 0.20 1 524 50 ASP C C 176.66 0.20 1 525 50 ASP CA C 52.63 0.20 1 526 50 ASP CB C 40.94 0.20 1 527 50 ASP H H 9.00 0.02 1 528 50 ASP HA H 4.77 0.02 1 529 50 ASP HB2 H 3.00 0.02 2 530 50 ASP HB3 H 2.50 0.02 2 531 50 ASP N N 120.06 0.20 1 532 51 ARG C C 175.98 0.20 1 533 51 ARG CA C 56.66 0.20 1 534 51 ARG CB C 29.14 0.20 1 535 51 ARG CD C 43.43 0.20 1 536 51 ARG CG C 28.18 0.20 1 537 51 ARG H H 8.81 0.02 1 538 51 ARG HA H 4.31 0.02 1 539 51 ARG HB2 H 2.12 0.02 2 540 51 ARG HB3 H 1.79 0.02 2 541 51 ARG HD3 H 3.26 0.02 2 542 51 ARG HE H 7.37 0.02 1 543 51 ARG HG2 H 1.57 0.02 2 544 51 ARG HG3 H 1.76 0.02 2 545 51 ARG N N 123.75 0.20 1 546 51 ARG NE N 84.75 0.20 1 547 52 SER C C 173.86 0.20 1 548 52 SER CA C 59.97 0.20 1 549 52 SER CB C 63.39 0.20 1 550 52 SER H H 8.73 0.02 1 551 52 SER HA H 4.36 0.02 1 552 52 SER HB2 H 4.02 0.02 2 553 52 SER HB3 H 3.91 0.02 2 554 52 SER N N 115.93 0.20 1 555 53 GLN C C 173.19 0.20 1 556 53 GLN CA C 53.83 0.20 1 557 53 GLN CB C 31.43 0.20 1 558 53 GLN CG C 33.59 0.20 1 559 53 GLN H H 7.02 0.02 1 560 53 GLN HA H 4.42 0.02 1 561 53 GLN HB2 H 2.12 0.02 2 562 53 GLN HB3 H 1.81 0.02 2 563 53 GLN HE21 H 7.17 0.02 2 564 53 GLN HE22 H 6.51 0.02 2 565 53 GLN HG2 H 2.25 0.02 2 566 53 GLN HG3 H 2.19 0.02 2 567 53 GLN N N 119.18 0.20 1 568 53 GLN NE2 N 108.82 0.20 1 569 54 ASN C C 173.01 0.20 1 570 54 ASN CA C 49.59 0.20 1 571 54 ASN CB C 40.94 0.20 1 572 54 ASN H H 8.38 0.02 1 573 54 ASN HA H 4.89 0.02 1 574 54 ASN HB2 H 2.58 0.02 2 575 54 ASN HB3 H 2.83 0.02 2 576 54 ASN N N 117.32 0.20 1 577 55 PRO CA C 64.91 0.20 1 578 55 PRO CB C 31.88 0.20 1 579 55 PRO CD C 50.49 0.20 1 580 55 PRO CG C 27.59 0.20 1 581 55 PRO HA H 4.28 0.02 1 582 55 PRO HB2 H 2.28 0.02 2 583 55 PRO HB3 H 1.88 0.02 2 584 55 PRO HD2 H 3.71 0.02 2 585 55 PRO HD3 H 3.61 0.02 2 586 55 PRO HG2 H 2.03 0.02 2 587 55 PRO HG3 H 1.95 0.02 2 588 56 PRO C C 176.54 0.20 1 589 56 PRO CA C 63.52 0.20 1 590 56 PRO CB C 32.66 0.20 1 591 56 PRO CD C 50.27 0.20 1 592 56 PRO CG C 27.73 0.20 1 593 56 PRO HA H 4.53 0.02 1 594 56 PRO HB2 H 2.04 0.02 2 595 56 PRO HB3 H 1.69 0.02 2 596 56 PRO HD2 H 3.96 0.02 2 597 56 PRO HD3 H 3.65 0.02 2 598 56 PRO HG3 H 2.13 0.02 2 599 57 GLN C C 175.66 0.20 1 600 57 GLN CA C 54.00 0.20 1 601 57 GLN CB C 31.99 0.20 1 602 57 GLN CG C 33.59 0.20 1 603 57 GLN H H 7.52 0.02 1 604 57 GLN HA H 4.63 0.02 1 605 57 GLN HB2 H 2.13 0.02 2 606 57 GLN HB3 H 1.92 0.02 2 607 57 GLN HE21 H 7.55 0.02 2 608 57 GLN HE22 H 6.91 0.02 2 609 57 GLN HG3 H 2.45 0.02 2 610 57 GLN N N 121.11 0.20 1 611 57 GLN NE2 N 112.68 0.20 1 612 58 SER C C 175.62 0.20 1 613 58 SER CA C 58.28 0.20 1 614 58 SER CB C 63.70 0.20 1 615 58 SER H H 9.05 0.02 1 616 58 SER HA H 4.47 0.02 1 617 58 SER HB2 H 4.06 0.02 2 618 58 SER HB3 H 4.19 0.02 2 619 58 SER N N 117.93 0.20 1 620 59 LYS C C 177.22 0.20 1 621 59 LYS CA C 56.38 0.20 1 622 59 LYS CB C 33.03 0.20 1 623 59 LYS CD C 29.23 0.20 1 624 59 LYS CE C 41.43 0.20 1 625 59 LYS CG C 25.89 0.20 1 626 59 LYS H H 9.02 0.02 1 627 59 LYS HA H 4.42 0.02 1 628 59 LYS HB2 H 2.08 0.02 2 629 59 LYS HB3 H 1.53 0.02 2 630 59 LYS HD3 H 1.57 0.02 2 631 59 LYS HE2 H 2.90 0.02 2 632 59 LYS HE3 H 2.84 0.02 2 633 59 LYS HG2 H 1.47 0.02 2 634 59 LYS HG3 H 1.40 0.02 2 635 59 LYS N N 124.06 0.20 1 636 60 GLY C C 172.71 0.20 1 637 60 GLY CA C 46.34 0.20 1 638 60 GLY H H 9.50 0.02 1 639 60 GLY HA2 H 3.42 0.02 2 640 60 GLY HA3 H 4.07 0.02 2 641 60 GLY N N 109.40 0.20 1 642 61 CYS C C 172.41 0.20 1 643 61 CYS CA C 54.32 0.20 1 644 61 CYS CB C 31.95 0.20 1 645 61 CYS H H 7.22 0.02 1 646 61 CYS HA H 5.25 0.02 1 647 61 CYS HB2 H 3.21 0.02 2 648 61 CYS HB3 H 2.64 0.02 2 649 61 CYS N N 110.22 0.20 1 650 62 CYS C C 170.66 0.20 1 651 62 CYS CA C 55.45 0.20 1 652 62 CYS CB C 32.09 0.20 1 653 62 CYS H H 9.09 0.02 1 654 62 CYS HA H 5.28 0.02 1 655 62 CYS HB2 H 2.78 0.02 2 656 62 CYS HB3 H 2.72 0.02 2 657 62 CYS N N 113.49 0.20 1 658 63 PHE C C 176.02 0.20 1 659 63 PHE CA C 55.77 0.20 1 660 63 PHE CB C 42.25 0.20 1 661 63 PHE CE1 C 132.02 0.20 1 662 63 PHE H H 8.56 0.02 1 663 63 PHE HA H 6.01 0.02 1 664 63 PHE HB2 H 2.97 0.02 2 665 63 PHE HB3 H 2.90 0.02 2 666 63 PHE HD1 H 7.27 0.02 2 667 63 PHE HE1 H 7.52 0.02 2 668 63 PHE HZ H 7.39 0.02 1 669 63 PHE N N 114.48 0.20 1 670 64 VAL C C 174.09 0.20 1 671 64 VAL CA C 59.67 0.20 1 672 64 VAL CB C 35.17 0.20 1 673 64 VAL CG1 C 19.30 0.20 2 674 64 VAL CG2 C 21.94 0.20 2 675 64 VAL H H 9.28 0.02 1 676 64 VAL HA H 4.80 0.02 1 677 64 VAL HB H 1.31 0.02 1 678 64 VAL HG1 H 0.11 0.02 1 679 64 VAL HG2 H 0.04 0.02 1 680 64 VAL N N 119.66 0.20 1 681 65 THR C C 174.91 0.20 1 682 65 THR CA C 60.84 0.20 1 683 65 THR CB C 69.79 0.20 1 684 65 THR CG2 C 20.79 0.20 1 685 65 THR H H 8.90 0.02 1 686 65 THR HA H 4.94 0.02 1 687 65 THR HB H 4.02 0.02 1 688 65 THR HG2 H 1.08 0.02 1 689 65 THR N N 126.43 0.20 1 690 66 PHE C C 175.93 0.20 1 691 66 PHE CA C 59.69 0.20 1 692 66 PHE CB C 39.79 0.20 1 693 66 PHE CD1 C 132.63 0.20 1 694 66 PHE H H 9.70 0.02 1 695 66 PHE HA H 4.66 0.02 1 696 66 PHE HB2 H 3.62 0.02 2 697 66 PHE HB3 H 3.07 0.02 2 698 66 PHE HD1 H 7.42 0.02 2 699 66 PHE HE1 H 7.12 0.02 2 700 66 PHE N N 129.12 0.20 1 701 67 TYR C C 175.47 0.20 1 702 67 TYR CA C 64.44 0.20 1 703 67 TYR CB C 38.58 0.20 1 704 67 TYR CD1 C 133.04 0.20 1 705 67 TYR H H 8.05 0.02 1 706 67 TYR HA H 3.82 0.02 1 707 67 TYR HB2 H 3.24 0.02 2 708 67 TYR HB3 H 3.08 0.02 2 709 67 TYR HD1 H 6.86 0.02 2 710 67 TYR HE1 H 6.54 0.02 2 711 67 TYR N N 117.24 0.20 1 712 68 THR C C 176.39 0.20 1 713 68 THR CA C 58.35 0.20 1 714 68 THR CB C 71.86 0.20 1 715 68 THR CG2 C 21.43 0.20 1 716 68 THR H H 8.31 0.02 1 717 68 THR HA H 4.98 0.02 1 718 68 THR HB H 4.54 0.02 1 719 68 THR HG2 H 1.34 0.02 1 720 68 THR N N 102.32 0.20 1 721 69 ARG C C 177.30 0.20 1 722 69 ARG CA C 59.95 0.20 1 723 69 ARG CB C 29.83 0.20 1 724 69 ARG CD C 43.28 0.20 1 725 69 ARG CG C 28.27 0.20 1 726 69 ARG H H 10.02 0.02 1 727 69 ARG HA H 3.80 0.02 1 728 69 ARG HB3 H 1.83 0.02 2 729 69 ARG HD3 H 3.21 0.02 2 730 69 ARG HE H 7.43 0.02 1 731 69 ARG HG3 H 1.51 0.02 2 732 69 ARG N N 127.48 0.20 1 733 69 ARG NE N 85.20 0.20 1 734 70 LYS C C 178.02 0.20 1 735 70 LYS CA C 59.62 0.20 1 736 70 LYS CB C 32.82 0.20 1 737 70 LYS CD C 29.61 0.20 1 738 70 LYS CE C 42.02 0.20 1 739 70 LYS CG C 24.55 0.20 1 740 70 LYS H H 8.60 0.02 1 741 70 LYS HA H 3.84 0.02 1 742 70 LYS HB2 H 1.88 0.02 2 743 70 LYS HB3 H 1.70 0.02 2 744 70 LYS HD2 H 1.42 0.02 2 745 70 LYS HD3 H 1.72 0.02 2 746 70 LYS HE3 H 3.01 0.02 2 747 70 LYS HG2 H 1.36 0.02 2 748 70 LYS HG3 H 1.47 0.02 2 749 70 LYS N N 116.63 0.20 1 750 71 ALA C C 177.81 0.20 1 751 71 ALA CA C 54.98 0.20 1 752 71 ALA CB C 19.77 0.20 1 753 71 ALA H H 7.70 0.02 1 754 71 ALA HA H 3.88 0.02 1 755 71 ALA HB H 1.19 0.02 1 756 71 ALA N N 119.81 0.20 1 757 72 ALA C C 179.44 0.20 1 758 72 ALA CA C 55.13 0.20 1 759 72 ALA CB C 19.32 0.20 1 760 72 ALA H H 6.68 0.02 1 761 72 ALA HA H 3.51 0.02 1 762 72 ALA HB H 1.66 0.02 1 763 72 ALA N N 117.17 0.20 1 764 73 LEU C C 180.24 0.20 1 765 73 LEU CA C 57.16 0.20 1 766 73 LEU CB C 40.89 0.20 1 767 73 LEU CD1 C 23.44 0.20 2 768 73 LEU CD2 C 25.61 0.20 2 769 73 LEU CG C 26.79 0.20 1 770 73 LEU H H 7.85 0.02 1 771 73 LEU HA H 4.04 0.02 1 772 73 LEU HB2 H 1.43 0.02 2 773 73 LEU HB3 H 1.83 0.02 2 774 73 LEU HD1 H 0.87 0.02 1 775 73 LEU HD2 H 0.77 0.02 1 776 73 LEU HG H 1.77 0.02 1 777 73 LEU N N 115.40 0.20 1 778 74 GLU C C 179.53 0.20 1 779 74 GLU CA C 59.49 0.20 1 780 74 GLU CB C 29.26 0.20 1 781 74 GLU CG C 36.59 0.20 1 782 74 GLU H H 8.32 0.02 1 783 74 GLU HA H 3.97 0.02 1 784 74 GLU HB2 H 2.19 0.02 2 785 74 GLU HB3 H 2.03 0.02 2 786 74 GLU HG2 H 2.51 0.02 2 787 74 GLU HG3 H 2.31 0.02 2 788 74 GLU N N 121.37 0.20 1 789 75 ALA C C 177.95 0.20 1 790 75 ALA CA C 54.80 0.20 1 791 75 ALA CB C 19.27 0.20 1 792 75 ALA H H 8.30 0.02 1 793 75 ALA HA H 2.85 0.02 1 794 75 ALA HB H 1.12 0.02 1 795 75 ALA N N 122.62 0.20 1 796 76 GLN C C 177.91 0.20 1 797 76 GLN CA C 60.09 0.20 1 798 76 GLN CB C 28.56 0.20 1 799 76 GLN CG C 33.25 0.20 1 800 76 GLN H H 8.22 0.02 1 801 76 GLN HA H 4.19 0.02 1 802 76 GLN HB2 H 2.28 0.02 2 803 76 GLN HB3 H 1.93 0.02 2 804 76 GLN HE21 H 7.21 0.02 2 805 76 GLN HE22 H 6.74 0.02 2 806 76 GLN HG3 H 2.25 0.02 2 807 76 GLN N N 117.10 0.20 1 808 76 GLN NE2 N 110.25 0.20 1 809 77 ASN C C 177.06 0.20 1 810 77 ASN CA C 56.28 0.20 1 811 77 ASN CB C 39.01 0.20 1 812 77 ASN H H 8.08 0.02 1 813 77 ASN HA H 4.38 0.02 1 814 77 ASN HB2 H 2.84 0.02 2 815 77 ASN HB3 H 2.74 0.02 2 816 77 ASN HD21 H 7.69 0.02 2 817 77 ASN HD22 H 6.89 0.02 2 818 77 ASN N N 114.66 0.20 1 819 77 ASN ND2 N 113.33 0.20 1 820 78 ALA C C 173.86 0.20 1 821 78 ALA CA C 53.99 0.20 1 822 78 ALA CB C 20.06 0.20 1 823 78 ALA H H 7.74 0.02 1 824 78 ALA HA H 4.21 0.02 1 825 78 ALA HB H 1.45 0.02 1 826 78 ALA N N 118.95 0.20 1 827 79 LEU C C 179.25 0.20 1 828 79 LEU CA C 56.67 0.20 1 829 79 LEU CB C 44.44 0.20 1 830 79 LEU CD2 C 23.09 0.20 2 831 79 LEU CG C 26.28 0.20 1 832 79 LEU H H 8.00 0.02 1 833 79 LEU HA H 4.41 0.02 1 834 79 LEU HB3 H 1.31 0.02 2 835 79 LEU HD2 H 0.88 0.02 2 836 79 LEU HG H 0.87 0.02 1 837 79 LEU N N 113.12 0.20 1 838 80 HIS C C 177.06 0.20 1 839 80 HIS CA C 59.19 0.20 1 840 80 HIS CB C 31.48 0.20 1 841 80 HIS H H 8.66 0.02 1 842 80 HIS HA H 4.22 0.02 1 843 80 HIS HB2 H 3.35 0.02 2 844 80 HIS HB3 H 3.21 0.02 2 845 80 HIS HD2 H 6.92 0.02 1 846 80 HIS N N 118.88 0.20 1 847 81 ASN C C 174.45 0.20 1 848 81 ASN CA C 54.46 0.20 1 849 81 ASN CB C 37.92 0.20 1 850 81 ASN H H 9.15 0.02 1 851 81 ASN HA H 3.98 0.02 1 852 81 ASN HB2 H 3.02 0.02 2 853 81 ASN HB3 H 2.39 0.02 2 854 81 ASN HD21 H 7.48 0.02 2 855 81 ASN HD22 H 6.79 0.02 2 856 81 ASN N N 120.96 0.20 1 857 81 ASN ND2 N 111.01 0.20 1 858 82 MET C C 175.52 0.20 1 859 82 MET CA C 55.70 0.20 1 860 82 MET CB C 35.20 0.20 1 861 82 MET CG C 31.47 0.20 1 862 82 MET H H 8.00 0.02 1 863 82 MET HA H 4.79 0.02 1 864 82 MET HB2 H 1.94 0.02 2 865 82 MET HB3 H 1.85 0.02 2 866 82 MET HG3 H 2.54 0.02 2 867 82 MET N N 115.59 0.20 1 868 83 LYS C C 173.08 0.20 1 869 83 LYS CA C 55.25 0.20 1 870 83 LYS CB C 34.69 0.20 1 871 83 LYS CD C 28.63 0.20 1 872 83 LYS CE C 43.91 0.20 1 873 83 LYS CG C 24.64 0.20 1 874 83 LYS H H 7.43 0.02 1 875 83 LYS HA H 4.52 0.02 1 876 83 LYS HB2 H 1.85 0.02 1 877 83 LYS HD3 H 1.68 0.02 2 878 83 LYS HE2 H 2.99 0.02 2 879 83 LYS HE3 H 2.89 0.02 2 880 83 LYS HG3 H 1.26 0.02 2 881 83 LYS N N 120.28 0.20 1 882 84 VAL C C 176.26 0.20 1 883 84 VAL CA C 61.44 0.20 1 884 84 VAL CB C 32.13 0.20 1 885 84 VAL CG2 C 21.38 0.20 2 886 84 VAL H H 8.65 0.02 1 887 84 VAL HA H 4.09 0.02 1 888 84 VAL HB H 1.83 0.02 1 889 84 VAL HG2 H 0.62 0.02 2 890 84 VAL N N 127.09 0.20 1 891 85 LEU C C 173.01 0.20 1 892 85 LEU CA C 53.59 0.20 1 893 85 LEU CB C 38.90 0.20 1 894 85 LEU CD1 C 22.37 0.20 2 895 85 LEU CD2 C 25.42 0.20 2 896 85 LEU CG C 27.26 0.20 1 897 85 LEU H H 9.02 0.02 1 898 85 LEU HA H 4.40 0.02 1 899 85 LEU HB2 H 1.31 0.02 2 900 85 LEU HB3 H 0.73 0.02 2 901 85 LEU HD1 H 0.83 0.02 1 902 85 LEU HD2 H 0.54 0.02 1 903 85 LEU HG H 1.58 0.02 1 904 85 LEU N N 129.64 0.20 1 905 86 PRO C C 177.24 0.20 1 906 86 PRO CA C 64.69 0.20 1 907 86 PRO CB C 31.53 0.20 1 908 86 PRO CD C 50.80 0.20 1 909 86 PRO CG C 28.40 0.20 1 910 86 PRO HA H 4.18 0.02 1 911 86 PRO HB2 H 2.31 0.02 2 912 86 PRO HB3 H 1.86 0.02 2 913 86 PRO HD2 H 3.83 0.02 2 914 86 PRO HD3 H 3.31 0.02 2 915 86 PRO HG2 H 2.37 0.02 2 916 86 PRO HG3 H 2.14 0.02 2 917 87 GLY C C 173.61 0.20 1 918 87 GLY CA C 45.06 0.20 1 919 87 GLY H H 8.45 0.02 1 920 87 GLY HA2 H 3.57 0.02 2 921 87 GLY HA3 H 4.04 0.02 2 922 87 GLY N N 110.97 0.20 1 923 88 MET C C 176.94 0.20 1 924 88 MET CA C 52.49 0.20 1 925 88 MET CB C 32.08 0.20 1 926 88 MET H H 7.74 0.02 1 927 88 MET HA H 4.70 0.02 1 928 88 MET HB2 H 2.02 0.02 2 929 88 MET HB3 H 1.84 0.02 2 930 88 MET HG3 H 2.32 0.02 2 931 88 MET N N 117.01 0.20 1 932 89 HIS C C 176.10 0.20 1 933 89 HIS CA C 54.99 0.20 1 934 89 HIS CB C 30.04 0.20 1 935 89 HIS H H 8.10 0.02 1 936 89 HIS HA H 4.67 0.02 1 937 89 HIS HB2 H 3.06 0.02 2 938 89 HIS HB3 H 2.81 0.02 2 939 89 HIS HD2 H 7.31 0.02 1 940 89 HIS N N 122.34 0.20 1 941 90 HIS CA C 52.63 0.20 1 942 90 HIS CB C 31.17 0.20 1 943 90 HIS H H 7.52 0.02 1 944 90 HIS HA H 4.93 0.02 1 945 90 HIS HB2 H 3.28 0.02 2 946 90 HIS HB3 H 2.73 0.02 2 947 90 HIS HD2 H 7.20 0.02 1 948 90 HIS N N 116.81 0.20 1 949 91 PRO CA C 64.91 0.20 1 950 91 PRO CB C 34.10 0.20 1 951 91 PRO CD C 50.01 0.20 1 952 91 PRO CG C 24.88 0.20 1 953 91 PRO HA H 4.41 0.02 1 954 91 PRO HB2 H 2.32 0.02 2 955 91 PRO HB3 H 2.15 0.02 2 956 91 PRO HD2 H 3.62 0.02 2 957 91 PRO HD3 H 3.50 0.02 2 958 91 PRO HG2 H 1.93 0.02 2 959 91 PRO HG3 H 1.82 0.02 2 960 92 ILE C C 174.58 0.20 1 961 92 ILE CA C 62.44 0.20 1 962 92 ILE CB C 39.56 0.20 1 963 92 ILE CD1 C 14.76 0.20 1 964 92 ILE CG1 C 28.31 0.20 1 965 92 ILE CG2 C 18.24 0.20 1 966 92 ILE H H 8.46 0.02 1 967 92 ILE HA H 3.98 0.02 1 968 92 ILE HB H 1.81 0.02 1 969 92 ILE HD1 H 0.80 0.02 1 970 92 ILE HG12 H 1.88 0.02 2 971 92 ILE HG13 H 1.00 0.02 2 972 92 ILE HG2 H 0.90 0.02 1 973 93 GLN C C 174.91 0.20 1 974 93 GLN CA C 52.12 0.20 1 975 93 GLN CB C 31.86 0.20 1 976 93 GLN CG C 33.73 0.20 1 977 93 GLN H H 7.37 0.02 1 978 93 GLN HA H 5.38 0.02 1 979 93 GLN HB2 H 2.17 0.02 2 980 93 GLN HB3 H 1.93 0.02 2 981 93 GLN HE21 H 7.15 0.02 2 982 93 GLN HE22 H 7.02 0.02 2 983 93 GLN HG3 H 2.45 0.02 2 984 93 GLN N N 124.58 0.20 1 985 93 GLN NE2 N 115.17 0.20 1 986 94 MET C C 173.12 0.20 1 987 94 MET CA C 55.13 0.20 1 988 94 MET CB C 36.41 0.20 1 989 94 MET CG C 33.20 0.20 1 990 94 MET HA H 5.78 0.02 1 991 94 MET HB2 H 2.11 0.02 2 992 94 MET HB3 H 1.77 0.02 2 993 94 MET HG2 H 2.54 0.02 2 994 94 MET HG3 H 2.47 0.02 2 995 95 LYS C C 171.91 0.20 1 996 95 LYS CA C 53.37 0.20 1 997 95 LYS CB C 33.74 0.20 1 998 95 LYS CD C 29.09 0.20 1 999 95 LYS CE C 41.98 0.20 1 1000 95 LYS CG C 22.81 0.20 1 1001 95 LYS H H 8.97 0.02 1 1002 95 LYS HA H 4.78 0.02 1 1003 95 LYS HB3 H 1.78 0.02 2 1004 95 LYS HD3 H 1.64 0.02 2 1005 95 LYS HE3 H 2.86 0.02 2 1006 95 LYS HG3 H 1.37 0.02 2 1007 95 LYS N N 123.18 0.20 1 1008 96 PRO C C 176.85 0.20 1 1009 96 PRO CA C 64.02 0.20 1 1010 96 PRO CB C 31.86 0.20 1 1011 96 PRO CG C 28.40 0.20 1 1012 96 PRO HA H 4.68 0.02 1 1013 96 PRO HB2 H 2.31 0.02 2 1014 96 PRO HB3 H 1.92 0.02 2 1015 96 PRO HD2 H 3.32 0.02 2 1016 96 PRO HD3 H 3.39 0.02 2 1017 96 PRO HG2 H 2.27 0.02 2 1018 96 PRO HG3 H 1.93 0.02 2 1019 97 ALA C C 177.18 0.20 1 1020 97 ALA CA C 52.89 0.20 1 1021 97 ALA CB C 19.56 0.20 1 1022 97 ALA H H 8.99 0.02 1 1023 97 ALA HA H 4.38 0.02 1 1024 97 ALA HB H 1.37 0.02 1 1025 97 ALA N N 126.20 0.20 1 1026 98 ASP C C 176.22 0.20 1 1027 98 ASP CA C 54.33 0.20 1 1028 98 ASP CB C 41.20 0.20 1 1029 98 ASP H H 8.59 0.02 1 1030 98 ASP HA H 4.59 0.02 1 1031 98 ASP HB2 H 2.61 0.02 2 1032 98 ASP HB3 H 2.71 0.02 2 1033 98 ASP N N 119.16 0.20 1 1034 99 SER C C 174.62 0.20 1 1035 99 SER CA C 58.80 0.20 1 1036 99 SER CB C 63.73 0.20 1 1037 99 SER H H 8.22 0.02 1 1038 99 SER HA H 4.36 0.02 1 1039 99 SER HB2 H 3.91 0.02 2 1040 99 SER HB3 H 3.82 0.02 2 1041 99 SER N N 115.28 0.20 1 1042 100 GLU C C 176.43 0.20 1 1043 100 GLU CA C 56.65 0.20 1 1044 100 GLU CB C 29.89 0.20 1 1045 100 GLU CG C 35.99 0.20 1 1046 100 GLU H H 8.41 0.02 1 1047 100 GLU HA H 4.25 0.02 1 1048 100 GLU HB2 H 2.04 0.02 2 1049 100 GLU HB3 H 1.91 0.02 2 1050 100 GLU HG2 H 2.21 0.02 2 1051 100 GLU HG3 H 2.14 0.02 2 1052 100 GLU N N 122.17 0.20 1 1053 101 LYS C C 176.18 0.20 1 1054 101 LYS CA C 56.52 0.20 1 1055 101 LYS CB C 32.81 0.20 1 1056 101 LYS CD C 24.63 0.20 1 1057 101 LYS CE C 42.26 0.20 1 1058 101 LYS CG C 23.98 0.20 1 1059 101 LYS H H 8.18 0.02 1 1060 101 LYS HA H 4.26 0.02 1 1061 101 LYS HB2 H 1.71 0.02 2 1062 101 LYS HB3 H 1.85 0.02 2 1063 101 LYS HD3 H 1.38 0.02 2 1064 101 LYS HE3 H 2.96 0.02 2 1065 101 LYS HG3 H 1.44 0.02 2 1066 101 LYS N N 121.00 0.20 1 1067 102 ASN C C 174.76 0.20 1 1068 102 ASN CA C 53.27 0.20 1 1069 102 ASN CB C 38.80 0.20 1 1070 102 ASN H H 8.36 0.02 1 1071 102 ASN HA H 4.68 0.02 1 1072 102 ASN HB2 H 2.82 0.02 2 1073 102 ASN HB3 H 2.71 0.02 2 1074 102 ASN N N 118.72 0.20 1 1075 103 ASN C C 174.94 0.20 1 1076 103 ASN CA C 53.44 0.20 1 1077 103 ASN CB C 38.75 0.20 1 1078 103 ASN H H 8.37 0.02 1 1079 103 ASN HA H 4.68 0.02 1 1080 103 ASN HB2 H 2.81 0.02 2 1081 103 ASN HB3 H 2.71 0.02 2 1082 103 ASN HD21 H 7.62 0.02 2 1083 103 ASN HD22 H 6.91 0.02 2 1084 103 ASN N N 119.13 0.20 1 1085 103 ASN ND2 N 112.75 0.20 1 1086 104 ALA C C 178.25 0.20 1 1087 104 ALA CA C 52.96 0.20 1 1088 104 ALA CB C 18.96 0.20 1 1089 104 ALA H H 8.30 0.02 1 1090 104 ALA HA H 4.31 0.02 1 1091 104 ALA HB H 1.41 0.02 1 1092 104 ALA N N 124.03 0.20 1 1093 105 VAL C C 176.58 0.20 1 1094 105 VAL CA C 63.69 0.20 1 1095 105 VAL CB C 32.24 0.20 1 1096 105 VAL CG1 C 21.39 0.20 2 1097 105 VAL CG2 C 21.09 0.20 2 1098 105 VAL H H 8.14 0.02 1 1099 105 VAL HA H 3.89 0.02 1 1100 105 VAL HB H 2.04 0.02 1 1101 105 VAL HG1 H 0.94 0.02 1 1102 105 VAL HG2 H 0.89 0.02 1 1103 105 VAL N N 119.32 0.20 1 1104 106 GLU C C 176.87 0.20 1 1105 106 GLU CA C 58.06 0.20 1 1106 106 GLU CB C 29.42 0.20 1 1107 106 GLU CG C 36.55 0.20 1 1108 106 GLU H H 8.37 0.02 1 1109 106 GLU HA H 4.09 0.02 1 1110 106 GLU HB2 H 2.08 0.02 2 1111 106 GLU HB3 H 1.96 0.02 2 1112 106 GLU HG3 H 2.27 0.02 2 1113 106 GLU N N 119.77 0.20 1 1114 107 ASP C C 175.16 0.20 1 1115 107 ASP CA C 54.82 0.20 1 1116 107 ASP CB C 41.17 0.20 1 1117 107 ASP H H 7.79 0.02 1 1118 107 ASP HA H 4.39 0.02 1 1119 107 ASP HB3 H 2.65 0.02 2 1120 107 ASP N N 117.64 0.20 1 1121 108 ARG C C 172.19 0.20 1 1122 108 ARG CA C 55.05 0.20 1 1123 108 ARG CB C 30.04 0.20 1 1124 108 ARG CD C 44.13 0.20 1 1125 108 ARG CG C 26.74 0.20 1 1126 108 ARG H H 8.11 0.02 1 1127 108 ARG HA H 4.71 0.02 1 1128 108 ARG HB2 H 1.96 0.02 2 1129 108 ARG HB3 H 1.62 0.02 2 1130 108 ARG HD2 H 3.12 0.02 2 1131 108 ARG HD3 H 2.98 0.02 2 1132 108 ARG HE H 6.92 0.02 1 1133 108 ARG HG2 H 1.73 0.02 2 1134 108 ARG HG3 H 1.46 0.02 2 1135 108 ARG N N 114.27 0.20 1 1136 108 ARG NE N 85.21 0.20 1 1137 109 LYS C C 174.69 0.20 1 1138 109 LYS CA C 55.23 0.20 1 1139 109 LYS CB C 35.81 0.20 1 1140 109 LYS CD C 29.68 0.20 1 1141 109 LYS CE C 41.40 0.20 1 1142 109 LYS CG C 24.61 0.20 1 1143 109 LYS H H 7.49 0.02 1 1144 109 LYS HA H 5.13 0.02 1 1145 109 LYS HB2 H 1.87 0.02 2 1146 109 LYS HB3 H 1.72 0.02 2 1147 109 LYS HD3 H 1.37 0.02 2 1148 109 LYS HE3 H 2.44 0.02 2 1149 109 LYS HG2 H 1.45 0.02 2 1150 109 LYS HG3 H 1.14 0.02 2 1151 109 LYS N N 121.08 0.20 1 1152 110 LEU C C 176.46 0.20 1 1153 110 LEU CA C 53.07 0.20 1 1154 110 LEU CB C 44.14 0.20 1 1155 110 LEU CD1 C 24.45 0.20 2 1156 110 LEU CD2 C 26.49 0.20 2 1157 110 LEU CG C 26.78 0.20 1 1158 110 LEU H H 9.64 0.02 1 1159 110 LEU HA H 5.00 0.02 1 1160 110 LEU HB2 H 1.68 0.02 2 1161 110 LEU HB3 H 1.09 0.02 2 1162 110 LEU HD1 H 0.22 0.02 1 1163 110 LEU HD2 H 1.66 0.02 1 1164 110 LEU HG H 0.79 0.02 1 1165 110 LEU N N 125.25 0.20 1 1166 111 PHE C C 172.16 0.20 1 1167 111 PHE CA C 57.47 0.20 1 1168 111 PHE CB C 40.89 0.20 1 1169 111 PHE CD1 C 132.02 0.20 1 1170 111 PHE H H 9.33 0.02 1 1171 111 PHE HA H 4.61 0.02 1 1172 111 PHE HB2 H 3.12 0.02 2 1173 111 PHE HB3 H 2.65 0.02 2 1174 111 PHE HD1 H 6.83 0.02 2 1175 111 PHE HE1 H 7.07 0.02 2 1176 111 PHE HZ H 7.22 0.02 1 1177 111 PHE N N 122.31 0.20 1 1178 112 ILE C C 174.62 0.20 1 1179 112 ILE CA C 57.32 0.20 1 1180 112 ILE CB C 37.82 0.20 1 1181 112 ILE CD1 C 13.84 0.20 1 1182 112 ILE CG1 C 27.29 0.20 1 1183 112 ILE CG2 C 18.78 0.20 1 1184 112 ILE H H 8.09 0.02 1 1185 112 ILE HA H 4.92 0.02 1 1186 112 ILE HB H 1.38 0.02 1 1187 112 ILE HD1 H 0.10 0.02 1 1188 112 ILE HG13 H 0.82 0.02 2 1189 112 ILE HG2 H 0.68 0.02 1 1190 112 ILE N N 127.17 0.20 1 1191 113 GLY C C 173.03 0.20 1 1192 113 GLY CA C 43.34 0.20 1 1193 113 GLY H H 9.37 0.02 1 1194 113 GLY HA2 H 4.47 0.02 2 1195 113 GLY HA3 H 3.49 0.02 2 1196 113 GLY N N 111.56 0.20 1 1197 114 MET C C 174.65 0.20 1 1198 114 MET CA C 55.23 0.20 1 1199 114 MET CB C 28.79 0.20 1 1200 114 MET CG C 32.95 0.20 1 1201 114 MET H H 8.83 0.02 1 1202 114 MET HA H 4.23 0.02 1 1203 114 MET HB2 H 2.42 0.02 2 1204 114 MET HB3 H 1.99 0.02 2 1205 114 MET HG2 H 2.71 0.02 2 1206 114 MET HG3 H 2.48 0.02 2 1207 114 MET N N 114.39 0.20 1 1208 115 ILE C C 175.84 0.20 1 1209 115 ILE CA C 58.54 0.20 1 1210 115 ILE CB C 40.06 0.20 1 1211 115 ILE CD1 C 14.76 0.20 1 1212 115 ILE CG1 C 25.05 0.20 1 1213 115 ILE CG2 C 18.80 0.20 1 1214 115 ILE H H 7.06 0.02 1 1215 115 ILE HA H 4.72 0.02 1 1216 115 ILE HB H 1.72 0.02 1 1217 115 ILE HD1 H 0.45 0.02 1 1218 115 ILE HG12 H 0.43 0.02 2 1219 115 ILE HG13 H 0.97 0.02 2 1220 115 ILE HG2 H 0.63 0.02 1 1221 115 ILE N N 107.37 0.20 1 1222 116 SER C C 177.50 0.20 1 1223 116 SER CA C 57.52 0.20 1 1224 116 SER CB C 63.81 0.20 1 1225 116 SER H H 7.22 0.02 1 1226 116 SER HA H 4.33 0.02 1 1227 116 SER HB2 H 4.32 0.02 2 1228 116 SER HB3 H 4.06 0.02 2 1229 116 SER N N 115.23 0.20 1 1230 117 LYS C C 175.83 0.20 1 1231 117 LYS CA C 58.95 0.20 1 1232 117 LYS CB C 32.06 0.20 1 1233 117 LYS CD C 29.16 0.20 1 1234 117 LYS CE C 42.25 0.20 1 1235 117 LYS CG C 26.29 0.20 1 1236 117 LYS H H 9.13 0.02 1 1237 117 LYS HA H 3.94 0.02 1 1238 117 LYS HB2 H 2.06 0.02 2 1239 117 LYS HB3 H 1.75 0.02 2 1240 117 LYS HD3 H 1.69 0.02 2 1241 117 LYS HE3 H 2.91 0.02 2 1242 117 LYS HG2 H 1.61 0.02 2 1243 117 LYS HG3 H 1.19 0.02 2 1244 117 LYS N N 127.49 0.20 1 1245 118 LYS C C 177.32 0.20 1 1246 118 LYS CA C 56.24 0.20 1 1247 118 LYS CB C 32.88 0.20 1 1248 118 LYS CD C 29.16 0.20 1 1249 118 LYS CE C 42.16 0.20 1 1250 118 LYS CG C 25.02 0.20 1 1251 118 LYS H H 8.02 0.02 1 1252 118 LYS HA H 4.30 0.02 1 1253 118 LYS HB2 H 1.89 0.02 2 1254 118 LYS HB3 H 1.69 0.02 2 1255 118 LYS HD3 H 1.64 0.02 2 1256 118 LYS HE3 H 2.98 0.02 2 1257 118 LYS HG3 H 1.40 0.02 2 1258 118 LYS N N 115.32 0.20 1 1259 119 CYS C C 175.23 0.20 1 1260 119 CYS CA C 60.57 0.20 1 1261 119 CYS CB C 27.79 0.20 1 1262 119 CYS H H 7.18 0.02 1 1263 119 CYS HA H 4.54 0.02 1 1264 119 CYS HB2 H 2.89 0.02 2 1265 119 CYS HB3 H 2.78 0.02 2 1266 119 CYS N N 116.87 0.20 1 1267 120 THR C C 175.31 0.20 1 1268 120 THR CA C 60.13 0.20 1 1269 120 THR CB C 72.73 0.20 1 1270 120 THR CG2 C 21.59 0.20 1 1271 120 THR H H 9.39 0.02 1 1272 120 THR HA H 4.51 0.02 1 1273 120 THR HB H 4.70 0.02 1 1274 120 THR HG2 H 1.34 0.02 1 1275 120 THR N N 116.36 0.20 1 1276 121 GLU C C 178.37 0.20 1 1277 121 GLU CA C 61.70 0.20 1 1278 121 GLU CB C 28.79 0.20 1 1279 121 GLU CG C 38.78 0.20 1 1280 121 GLU H H 9.56 0.02 1 1281 121 GLU HA H 3.63 0.02 1 1282 121 GLU HB2 H 2.19 0.02 2 1283 121 GLU HB3 H 1.92 0.02 2 1284 121 GLU HG2 H 2.66 0.02 2 1285 121 GLU HG3 H 2.28 0.02 2 1286 121 GLU N N 121.24 0.20 1 1287 122 ASN C C 176.51 0.20 1 1288 122 ASN CA C 56.76 0.20 1 1289 122 ASN CB C 38.43 0.20 1 1290 122 ASN H H 8.36 0.02 1 1291 122 ASN HA H 4.37 0.02 1 1292 122 ASN HB3 H 2.71 0.02 2 1293 122 ASN HD21 H 7.79 0.02 2 1294 122 ASN HD22 H 7.00 0.02 2 1295 122 ASN N N 116.05 0.20 1 1296 122 ASN ND2 N 114.54 0.20 1 1297 123 ASP C C 178.97 0.20 1 1298 123 ASP CA C 57.55 0.20 1 1299 123 ASP CB C 40.96 0.20 1 1300 123 ASP H H 7.53 0.02 1 1301 123 ASP HA H 4.33 0.02 1 1302 123 ASP HB2 H 3.05 0.02 2 1303 123 ASP HB3 H 2.71 0.02 2 1304 123 ASP N N 117.94 0.20 1 1305 124 ILE C C 177.61 0.20 1 1306 124 ILE CA C 61.99 0.20 1 1307 124 ILE CB C 35.38 0.20 1 1308 124 ILE CD1 C 9.37 0.20 1 1309 124 ILE CG1 C 27.22 0.20 1 1310 124 ILE CG2 C 18.71 0.20 1 1311 124 ILE H H 7.58 0.02 1 1312 124 ILE HA H 3.94 0.02 1 1313 124 ILE HB H 1.95 0.02 1 1314 124 ILE HD1 H 0.61 0.02 1 1315 124 ILE HG12 H 1.48 0.02 2 1316 124 ILE HG13 H 1.00 0.02 2 1317 124 ILE HG2 H 0.62 0.02 1 1318 124 ILE N N 118.96 0.20 1 1319 125 ARG C C 179.22 0.20 1 1320 125 ARG CA C 60.70 0.20 1 1321 125 ARG CB C 30.10 0.20 1 1322 125 ARG CD C 43.03 0.20 1 1323 125 ARG CG C 29.33 0.20 1 1324 125 ARG H H 8.54 0.02 1 1325 125 ARG HA H 3.81 0.02 1 1326 125 ARG HB2 H 2.00 0.02 2 1327 125 ARG HB3 H 1.93 0.02 2 1328 125 ARG HD2 H 3.26 0.02 2 1329 125 ARG HD3 H 3.16 0.02 2 1330 125 ARG HE H 7.76 0.02 1 1331 125 ARG HG2 H 1.73 0.02 2 1332 125 ARG HG3 H 1.42 0.02 2 1333 125 ARG N N 121.13 0.20 1 1334 125 ARG NE N 84.80 0.20 1 1335 126 VAL C C 178.95 0.20 1 1336 126 VAL CA C 66.60 0.20 1 1337 126 VAL CB C 31.71 0.20 1 1338 126 VAL CG1 C 20.91 0.20 2 1339 126 VAL CG2 C 22.95 0.20 2 1340 126 VAL H H 8.36 0.02 1 1341 126 VAL HA H 3.68 0.02 1 1342 126 VAL HB H 2.16 0.02 1 1343 126 VAL HG1 H 0.93 0.02 1 1344 126 VAL HG2 H 1.08 0.02 1 1345 126 VAL N N 118.72 0.20 1 1346 127 MET C C 177.43 0.20 1 1347 127 MET CA C 58.91 0.20 1 1348 127 MET CB C 34.79 0.20 1 1349 127 MET CG C 31.58 0.20 1 1350 127 MET H H 7.69 0.02 1 1351 127 MET HA H 4.05 0.02 1 1352 127 MET HB2 H 2.36 0.02 2 1353 127 MET HB3 H 2.02 0.02 2 1354 127 MET HG2 H 2.60 0.02 2 1355 127 MET HG3 H 2.25 0.02 2 1356 127 MET N N 118.29 0.20 1 1357 128 PHE C C 176.53 0.20 1 1358 128 PHE CA C 60.09 0.20 1 1359 128 PHE CB C 40.03 0.20 1 1360 128 PHE H H 8.17 0.02 1 1361 128 PHE HA H 4.84 0.02 1 1362 128 PHE HB2 H 2.92 0.02 2 1363 128 PHE HB3 H 3.60 0.02 2 1364 128 PHE HD1 H 7.69 0.02 2 1365 128 PHE HE1 H 7.07 0.02 2 1366 128 PHE HZ H 7.27 0.02 1 1367 128 PHE N N 113.22 0.20 1 1368 129 SER C C 175.34 0.20 1 1369 129 SER CA C 61.88 0.20 1 1370 129 SER CB C 63.15 0.20 1 1371 129 SER H H 8.25 0.02 1 1372 129 SER HA H 4.50 0.02 1 1373 129 SER HB2 H 4.24 0.02 2 1374 129 SER HB3 H 4.11 0.02 2 1375 129 SER N N 116.85 0.20 1 1376 130 SER C C 174.82 0.20 1 1377 130 SER CA C 60.13 0.20 1 1378 130 SER CB C 62.50 0.20 1 1379 130 SER H H 7.71 0.02 1 1380 130 SER HA H 4.08 0.02 1 1381 130 SER HB2 H 3.32 0.02 2 1382 130 SER HB3 H 3.08 0.02 2 1383 130 SER N N 114.46 0.20 1 1384 131 PHE C C 174.26 0.20 1 1385 131 PHE CA C 57.91 0.20 1 1386 131 PHE CB C 39.10 0.20 1 1387 131 PHE H H 7.26 0.02 1 1388 131 PHE HA H 4.51 0.02 1 1389 131 PHE HB2 H 3.23 0.02 2 1390 131 PHE HB3 H 2.76 0.02 2 1391 131 PHE HD1 H 7.29 0.02 2 1392 131 PHE HE1 H 7.14 0.02 2 1393 131 PHE N N 116.79 0.20 1 1394 132 GLY C C 170.69 0.20 1 1395 132 GLY CA C 44.70 0.20 1 1396 132 GLY H H 7.43 0.02 1 1397 132 GLY HA2 H 4.61 0.02 2 1398 132 GLY HA3 H 4.01 0.02 2 1399 132 GLY N N 103.07 0.20 1 1400 133 GLN C C 174.28 0.20 1 1401 133 GLN CA C 55.67 0.20 1 1402 133 GLN CB C 29.57 0.20 1 1403 133 GLN CG C 33.97 0.20 1 1404 133 GLN H H 7.78 0.02 1 1405 133 GLN HA H 4.48 0.02 1 1406 133 GLN HB3 H 2.19 0.02 2 1407 133 GLN HE21 H 7.60 0.02 2 1408 133 GLN HE22 H 6.90 0.02 2 1409 133 GLN HG3 H 2.30 0.02 2 1410 133 GLN N N 119.60 0.20 1 1411 133 GLN NE2 N 112.68 0.20 1 1412 134 ILE C C 176.09 0.20 1 1413 134 ILE CA C 61.27 0.20 1 1414 134 ILE CB C 39.01 0.20 1 1415 134 ILE CD1 C 14.66 0.20 1 1416 134 ILE CG1 C 28.42 0.20 1 1417 134 ILE CG2 C 17.55 0.20 1 1418 134 ILE H H 8.61 0.02 1 1419 134 ILE HA H 3.88 0.02 1 1420 134 ILE HB H 1.58 0.02 1 1421 134 ILE HD1 H -0.02 0.02 1 1422 134 ILE HG13 H 0.68 0.02 2 1423 134 ILE HG2 H 0.49 0.02 1 1424 134 ILE N N 126.47 0.20 1 1425 135 GLU C C 175.92 0.20 1 1426 135 GLU CA C 56.94 0.20 1 1427 135 GLU CB C 31.45 0.20 1 1428 135 GLU CG C 35.97 0.20 1 1429 135 GLU H H 8.92 0.02 1 1430 135 GLU HA H 4.30 0.02 1 1431 135 GLU HB2 H 1.82 0.02 2 1432 135 GLU HB3 H 1.64 0.02 2 1433 135 GLU HG2 H 2.01 0.02 2 1434 135 GLU HG3 H 2.11 0.02 2 1435 135 GLU N N 128.53 0.20 1 1436 136 GLU C C 173.36 0.20 1 1437 136 GLU CA C 55.67 0.20 1 1438 136 GLU CB C 33.24 0.20 1 1439 136 GLU CG C 36.58 0.20 1 1440 136 GLU H H 7.25 0.02 1 1441 136 GLU HA H 4.41 0.02 1 1442 136 GLU HB2 H 1.98 0.02 2 1443 136 GLU HB3 H 1.81 0.02 2 1444 136 GLU HG2 H 2.01 0.02 2 1445 136 GLU HG3 H 2.22 0.02 2 1446 136 GLU N N 116.10 0.20 1 1447 137 CYS C C 171.79 0.20 1 1448 137 CYS CA C 57.24 0.20 1 1449 137 CYS CB C 27.77 0.20 1 1450 137 CYS H H 8.85 0.02 1 1451 137 CYS HA H 5.07 0.02 1 1452 137 CYS HB2 H 2.68 0.02 2 1453 137 CYS HB3 H 2.50 0.02 2 1454 137 CYS N N 126.08 0.20 1 1455 138 ARG C C 174.40 0.20 1 1456 138 ARG CA C 54.59 0.20 1 1457 138 ARG CB C 34.32 0.20 1 1458 138 ARG CD C 43.65 0.20 1 1459 138 ARG CG C 26.82 0.20 1 1460 138 ARG H H 8.78 0.02 1 1461 138 ARG HA H 4.97 0.02 1 1462 138 ARG HB2 H 1.84 0.02 2 1463 138 ARG HB3 H 1.72 0.02 2 1464 138 ARG HD3 H 3.23 0.02 2 1465 138 ARG HE H 7.23 0.02 1 1466 138 ARG HG2 H 1.63 0.02 2 1467 138 ARG HG3 H 1.54 0.02 2 1468 138 ARG N N 126.09 0.20 1 1469 138 ARG NE N 84.72 0.20 1 1470 139 ILE C C 176.03 0.20 1 1471 139 ILE CA C 59.69 0.20 1 1472 139 ILE CB C 38.59 0.20 1 1473 139 ILE CD1 C 11.49 0.20 1 1474 139 ILE CG1 C 28.79 0.20 1 1475 139 ILE CG2 C 16.98 0.20 1 1476 139 ILE H H 8.78 0.02 1 1477 139 ILE HA H 4.25 0.02 1 1478 139 ILE HB H 1.81 0.02 1 1479 139 ILE HD1 H 0.53 0.02 1 1480 139 ILE HG12 H 1.08 0.02 2 1481 139 ILE HG13 H 1.33 0.02 2 1482 139 ILE HG2 H 0.91 0.02 1 1483 139 ILE N N 124.51 0.20 1 1484 140 LEU C C 175.13 0.20 1 1485 140 LEU CA C 56.06 0.20 1 1486 140 LEU CB C 40.97 0.20 1 1487 140 LEU CD2 C 28.57 0.20 2 1488 140 LEU CG C 24.26 0.20 1 1489 140 LEU H H 8.27 0.02 1 1490 140 LEU HA H 4.43 0.02 1 1491 140 LEU HB3 H 1.64 0.02 2 1492 140 LEU HD2 H 1.64 0.02 2 1493 140 LEU HG H 0.98 0.02 1 1494 140 LEU N N 129.04 0.20 1 1495 141 ARG C C 177.17 0.20 1 1496 141 ARG CA C 54.66 0.20 1 1497 141 ARG CB C 33.88 0.20 1 1498 141 ARG CD C 42.74 0.20 1 1499 141 ARG CG C 28.36 0.20 1 1500 141 ARG H H 8.42 0.02 1 1501 141 ARG HA H 5.06 0.02 1 1502 141 ARG HB2 H 1.63 0.02 2 1503 141 ARG HB3 H 1.47 0.02 2 1504 141 ARG HD3 H 3.16 0.02 2 1505 141 ARG HE H 7.46 0.02 1 1506 141 ARG HG2 H 1.64 0.02 2 1507 141 ARG HG3 H 1.24 0.02 2 1508 141 ARG N N 122.62 0.20 1 1509 141 ARG NE N 85.49 0.20 1 1510 142 GLY CA C 44.15 0.20 1 1511 142 GLY H H 8.38 0.02 1 1512 142 GLY HA2 H 4.58 0.02 2 1513 142 GLY HA3 H 4.21 0.02 2 1514 142 GLY N N 107.63 0.20 1 1515 143 PRO C C 176.23 0.20 1 1516 143 PRO CA C 64.94 0.20 1 1517 143 PRO CB C 31.44 0.20 1 1518 143 PRO CD C 49.79 0.20 1 1519 143 PRO CG C 27.33 0.20 1 1520 143 PRO HA H 4.42 0.02 1 1521 143 PRO HB2 H 2.38 0.02 2 1522 143 PRO HB3 H 2.02 0.02 2 1523 143 PRO HD2 H 3.79 0.02 2 1524 143 PRO HD3 H 3.71 0.02 2 1525 143 PRO HG3 H 2.08 0.02 2 1526 144 ASP C C 176.64 0.20 1 1527 144 ASP CA C 52.78 0.20 1 1528 144 ASP CB C 40.07 0.20 1 1529 144 ASP H H 7.85 0.02 1 1530 144 ASP HA H 4.49 0.02 1 1531 144 ASP HB2 H 2.99 0.02 2 1532 144 ASP HB3 H 2.67 0.02 2 1533 144 ASP N N 114.77 0.20 1 1534 145 GLY C C 173.88 0.20 1 1535 145 GLY CA C 45.19 0.20 1 1536 145 GLY H H 8.32 0.02 1 1537 145 GLY HA2 H 4.25 0.02 2 1538 145 GLY HA3 H 3.70 0.02 2 1539 145 GLY N N 107.35 0.20 1 1540 146 LEU C C 177.42 0.20 1 1541 146 LEU CA C 54.20 0.20 1 1542 146 LEU CB C 41.48 0.20 1 1543 146 LEU CD1 C 24.77 0.20 2 1544 146 LEU CD2 C 22.63 0.20 2 1545 146 LEU CG C 27.22 0.20 1 1546 146 LEU H H 7.85 0.02 1 1547 146 LEU HA H 4.47 0.02 1 1548 146 LEU HB2 H 1.80 0.02 2 1549 146 LEU HB3 H 1.52 0.02 2 1550 146 LEU HD2 H 0.83 0.02 2 1551 146 LEU HD1 H 0.88 0.02 1 1552 146 LEU HG H 1.46 0.02 1 1553 146 LEU N N 121.56 0.20 1 1554 147 SER C C 176.29 0.20 1 1555 147 SER CA C 58.26 0.20 1 1556 147 SER CB C 64.29 0.20 1 1557 147 SER H H 8.77 0.02 1 1558 147 SER HA H 4.34 0.02 1 1559 147 SER HB2 H 4.03 0.02 1 1560 147 SER N N 115.24 0.20 1 1561 148 ARG C C 177.28 0.20 1 1562 148 ARG CA C 55.81 0.20 1 1563 148 ARG CB C 31.18 0.20 1 1564 148 ARG CD C 43.13 0.20 1 1565 148 ARG CG C 27.55 0.20 1 1566 148 ARG H H 9.16 0.02 1 1567 148 ARG HA H 4.37 0.02 1 1568 148 ARG HB2 H 2.22 0.02 2 1569 148 ARG HB3 H 1.55 0.02 2 1570 148 ARG HD2 H 3.04 0.02 2 1571 148 ARG HD3 H 3.18 0.02 2 1572 148 ARG HE H 7.77 0.02 1 1573 148 ARG HG3 H 1.60 0.02 2 1574 148 ARG N N 123.92 0.20 1 1575 148 ARG NE N 84.11 0.20 1 1576 149 GLY C C 171.94 0.20 1 1577 149 GLY CA C 45.99 0.20 1 1578 149 GLY H H 9.16 0.02 1 1579 149 GLY HA2 H 4.20 0.02 2 1580 149 GLY HA3 H 3.13 0.02 2 1581 149 GLY N N 106.43 0.20 1 1582 150 CYS C C 171.00 0.20 1 1583 150 CYS CA C 55.37 0.20 1 1584 150 CYS CB C 44.52 0.20 1 1585 150 CYS H H 7.22 0.02 1 1586 150 CYS HA H 5.12 0.02 1 1587 150 CYS HB2 H 3.50 0.02 2 1588 150 CYS HB3 H 2.79 0.02 2 1589 150 CYS N N 111.56 0.20 1 1590 151 ALA C C 173.32 0.20 1 1591 151 ALA CA C 50.21 0.20 1 1592 151 ALA CB C 24.25 0.20 1 1593 151 ALA H H 8.90 0.02 1 1594 151 ALA HA H 4.97 0.02 1 1595 151 ALA HB H 0.96 0.02 1 1596 151 ALA N N 120.86 0.20 1 1597 152 PHE C C 176.30 0.20 1 1598 152 PHE CA C 55.85 0.20 1 1599 152 PHE CB C 43.31 0.20 1 1600 152 PHE CZ C 130.55 0.20 1 1601 152 PHE H H 8.64 0.02 1 1602 152 PHE HA H 5.82 0.02 1 1603 152 PHE HB2 H 2.94 0.02 2 1604 152 PHE HB3 H 2.61 0.02 2 1605 152 PHE HD1 H 7.20 0.02 2 1606 152 PHE HE1 H 7.57 0.02 2 1607 152 PHE HZ H 7.53 0.02 1 1608 152 PHE N N 113.12 0.20 1 1609 153 VAL C C 173.58 0.20 1 1610 153 VAL CA C 60.62 0.20 1 1611 153 VAL CB C 35.96 0.20 1 1612 153 VAL CG1 C 22.15 0.20 2 1613 153 VAL CG2 C 22.30 0.20 2 1614 153 VAL H H 8.57 0.02 1 1615 153 VAL HA H 4.52 0.02 1 1616 153 VAL HB H 1.32 0.02 1 1617 153 VAL HG1 H 0.17 0.02 1 1618 153 VAL HG2 H 0.36 0.02 1 1619 153 VAL N N 121.38 0.20 1 1620 154 THR C C 174.65 0.20 1 1621 154 THR CA C 60.97 0.20 1 1622 154 THR CB C 69.76 0.20 1 1623 154 THR CG2 C 22.30 0.20 1 1624 154 THR H H 8.78 0.02 1 1625 154 THR HA H 5.12 0.02 1 1626 154 THR HB H 3.85 0.02 1 1627 154 THR HG2 H 1.17 0.02 1 1628 154 THR N N 123.28 0.20 1 1629 155 PHE C C 176.37 0.20 1 1630 155 PHE CA C 57.86 0.20 1 1631 155 PHE CB C 44.01 0.20 1 1632 155 PHE CE1 C 129.38 0.20 1 1633 155 PHE CZ C 131.45 0.20 1 1634 155 PHE H H 8.55 0.02 1 1635 155 PHE HA H 5.47 0.02 1 1636 155 PHE HB2 H 3.59 0.02 2 1637 155 PHE HB3 H 2.94 0.02 2 1638 155 PHE HD1 H 7.08 0.02 2 1639 155 PHE HE1 H 7.13 0.02 2 1640 155 PHE HZ H 7.68 0.02 1 1641 155 PHE N N 126.26 0.20 1 1642 156 THR C C 175.34 0.20 1 1643 156 THR CA C 66.21 0.20 1 1644 156 THR CB C 69.05 0.20 1 1645 156 THR CG2 C 23.21 0.20 1 1646 156 THR H H 8.52 0.02 1 1647 156 THR HA H 4.12 0.02 1 1648 156 THR HB H 4.22 0.02 1 1649 156 THR HG2 H 1.31 0.02 1 1650 156 THR N N 111.45 0.20 1 1651 157 THR C C 173.92 0.20 1 1652 157 THR CA C 59.09 0.20 1 1653 157 THR CB C 72.64 0.20 1 1654 157 THR CG2 C 21.45 0.20 1 1655 157 THR H H 7.69 0.02 1 1656 157 THR HA H 4.96 0.02 1 1657 157 THR HB H 4.70 0.02 1 1658 157 THR HG2 H 1.32 0.02 1 1659 157 THR N N 107.44 0.20 1 1660 158 ARG C C 177.46 0.20 1 1661 158 ARG CA C 59.33 0.20 1 1662 158 ARG CB C 29.93 0.20 1 1663 158 ARG CD C 43.89 0.20 1 1664 158 ARG CG C 28.48 0.20 1 1665 158 ARG H H 9.13 0.02 1 1666 158 ARG HA H 4.12 0.02 1 1667 158 ARG HB3 H 1.80 0.02 2 1668 158 ARG HD3 H 3.12 0.02 2 1669 158 ARG HE H 7.08 0.02 1 1670 158 ARG HG2 H 2.00 0.02 2 1671 158 ARG HG3 H 1.58 0.02 2 1672 158 ARG N N 122.68 0.20 1 1673 158 ARG NE N 85.08 0.20 1 1674 159 ALA C C 180.83 0.20 1 1675 159 ALA CA C 55.55 0.20 1 1676 159 ALA CB C 18.12 0.20 1 1677 159 ALA H H 8.45 0.02 1 1678 159 ALA HA H 4.28 0.02 1 1679 159 ALA HB H 1.46 0.02 1 1680 159 ALA N N 121.10 0.20 1 1681 160 MET C C 176.34 0.20 1 1682 160 MET CA C 58.98 0.20 1 1683 160 MET CB C 32.31 0.20 1 1684 160 MET CG C 33.65 0.20 1 1685 160 MET H H 7.49 0.02 1 1686 160 MET HA H 3.87 0.02 1 1687 160 MET HB2 H 1.96 0.02 2 1688 160 MET HB3 H 1.58 0.02 2 1689 160 MET HG2 H 2.74 0.02 2 1690 160 MET HG3 H 3.02 0.02 2 1691 160 MET N N 117.54 0.20 1 1692 161 ALA C C 178.36 0.20 1 1693 161 ALA CA C 54.91 0.20 1 1694 161 ALA CB C 18.03 0.20 1 1695 161 ALA H H 6.78 0.02 1 1696 161 ALA HA H 3.55 0.02 1 1697 161 ALA HB H 1.62 0.02 1 1698 161 ALA N N 119.42 0.20 1 1699 162 GLN C C 178.83 0.20 1 1700 162 GLN CA C 59.06 0.20 1 1701 162 GLN CB C 29.07 0.20 1 1702 162 GLN CG C 34.61 0.20 1 1703 162 GLN H H 8.71 0.02 1 1704 162 GLN HA H 3.90 0.02 1 1705 162 GLN HB2 H 2.33 0.02 2 1706 162 GLN HB3 H 2.14 0.02 2 1707 162 GLN HE21 H 7.43 0.02 2 1708 162 GLN HE22 H 6.97 0.02 2 1709 162 GLN HG2 H 2.61 0.02 2 1710 162 GLN HG3 H 2.53 0.02 2 1711 162 GLN N N 115.44 0.20 1 1712 162 GLN NE2 N 111.73 0.20 1 1713 163 THR C C 175.67 0.20 1 1714 163 THR CA C 66.36 0.20 1 1715 163 THR CB C 68.37 0.20 1 1716 163 THR CG2 C 22.07 0.20 1 1717 163 THR H H 7.89 0.02 1 1718 163 THR HA H 3.77 0.02 1 1719 163 THR HB H 4.40 0.02 1 1720 163 THR HG2 H 1.38 0.02 1 1721 163 THR N N 117.12 0.20 1 1722 164 ALA C C 178.71 0.20 1 1723 164 ALA CA C 54.52 0.20 1 1724 164 ALA CB C 18.98 0.20 1 1725 164 ALA H H 7.49 0.02 1 1726 164 ALA HA H 2.53 0.02 1 1727 164 ALA HB H 1.22 0.02 1 1728 164 ALA N N 123.80 0.20 1 1729 165 ILE C C 177.89 0.20 1 1730 165 ILE CA C 66.03 0.20 1 1731 165 ILE CB C 39.00 0.20 1 1732 165 ILE CD1 C 14.42 0.20 1 1733 165 ILE CG1 C 29.46 0.20 1 1734 165 ILE CG2 C 16.75 0.20 1 1735 165 ILE H H 7.74 0.02 1 1736 165 ILE HA H 3.20 0.02 1 1737 165 ILE HB H 1.57 0.02 1 1738 165 ILE HD1 H -0.02 0.02 1 1739 165 ILE HG12 H 1.40 0.02 2 1740 165 ILE HG13 H 0.31 0.02 2 1741 165 ILE HG2 H 0.78 0.02 1 1742 165 ILE N N 117.44 0.20 1 1743 166 LYS C C 178.32 0.20 1 1744 166 LYS CA C 58.84 0.20 1 1745 166 LYS CB C 32.17 0.20 1 1746 166 LYS CD C 24.95 0.20 1 1747 166 LYS CE C 42.21 0.20 1 1748 166 LYS CG C 29.16 0.20 1 1749 166 LYS H H 7.35 0.02 1 1750 166 LYS HA H 3.94 0.02 1 1751 166 LYS HB2 H 1.85 0.02 1 1752 166 LYS HD2 H 1.53 0.02 2 1753 166 LYS HD3 H 1.46 0.02 2 1754 166 LYS HE3 H 2.98 0.02 2 1755 166 LYS HG3 H 1.70 0.02 2 1756 166 LYS N N 116.64 0.20 1 1757 167 ALA C C 179.30 0.20 1 1758 167 ALA CA C 53.92 0.20 1 1759 167 ALA CB C 21.50 0.20 1 1760 167 ALA H H 7.42 0.02 1 1761 167 ALA HA H 4.21 0.02 1 1762 167 ALA HB H 1.22 0.02 1 1763 167 ALA N N 116.66 0.20 1 1764 168 MET C C 178.11 0.20 1 1765 168 MET CA C 54.23 0.20 1 1766 168 MET CB C 33.92 0.20 1 1767 168 MET H H 7.88 0.02 1 1768 168 MET HA H 4.83 0.02 1 1769 168 MET HB2 H 2.08 0.02 2 1770 168 MET HB3 H 1.97 0.02 2 1771 168 MET HG2 H 2.16 0.02 2 1772 168 MET HG3 H 2.03 0.02 2 1773 168 MET N N 111.01 0.20 1 1774 169 HIS C C 176.51 0.20 1 1775 169 HIS CA C 60.00 0.20 1 1776 169 HIS CB C 30.66 0.20 1 1777 169 HIS HA H 4.42 0.02 1 1778 169 HIS HB2 H 3.55 0.02 2 1779 169 HIS HB3 H 3.21 0.02 2 1780 169 HIS HD2 H 6.99 0.02 1 1781 170 GLN C C 175.51 0.20 1 1782 170 GLN CA C 57.25 0.20 1 1783 170 GLN CB C 26.43 0.20 1 1784 170 GLN CG C 33.40 0.20 1 1785 170 GLN H H 8.67 0.02 1 1786 170 GLN HA H 3.87 0.02 1 1787 170 GLN HB2 H 1.97 0.02 1 1788 170 GLN HE21 H 6.89 0.02 2 1789 170 GLN HE22 H 6.72 0.02 2 1790 170 GLN HG3 H 1.21 0.02 2 1791 170 GLN N N 121.30 0.20 1 1792 170 GLN NE2 N 112.56 0.20 1 1793 171 ALA C C 177.02 0.20 1 1794 171 ALA CA C 54.40 0.20 1 1795 171 ALA CB C 20.27 0.20 1 1796 171 ALA H H 7.78 0.02 1 1797 171 ALA HA H 4.21 0.02 1 1798 171 ALA HB H 1.48 0.02 1 1799 171 ALA N N 119.73 0.20 1 1800 172 GLN C C 173.28 0.20 1 1801 172 GLN CA C 54.08 0.20 1 1802 172 GLN CB C 31.77 0.20 1 1803 172 GLN CG C 32.94 0.20 1 1804 172 GLN H H 7.47 0.02 1 1805 172 GLN HA H 4.63 0.02 1 1806 172 GLN HB2 H 2.12 0.02 2 1807 172 GLN HB3 H 1.93 0.02 2 1808 172 GLN HE21 H 7.51 0.02 2 1809 172 GLN HE22 H 6.73 0.02 2 1810 172 GLN HG2 H 1.91 0.02 2 1811 172 GLN HG3 H 2.26 0.02 2 1812 172 GLN N N 110.85 0.20 1 1813 172 GLN NE2 N 112.69 0.20 1 1814 173 THR C C 174.80 0.20 1 1815 173 THR CA C 61.58 0.20 1 1816 173 THR CB C 69.14 0.20 1 1817 173 THR CG2 C 20.79 0.20 1 1818 173 THR H H 8.64 0.02 1 1819 173 THR HA H 4.65 0.02 1 1820 173 THR HB H 3.78 0.02 1 1821 173 THR HG2 H 0.91 0.02 1 1822 173 THR N N 118.63 0.20 1 1823 174 MET C C 175.00 0.20 1 1824 174 MET CA C 56.55 0.20 1 1825 174 MET CB C 34.72 0.20 1 1826 174 MET CG C 33.38 0.20 1 1827 174 MET H H 9.77 0.02 1 1828 174 MET HA H 4.32 0.02 1 1829 174 MET HB2 H 2.25 0.02 2 1830 174 MET HB3 H 2.09 0.02 2 1831 174 MET HG2 H 2.43 0.02 2 1832 174 MET HG3 H 2.73 0.02 2 1833 174 MET N N 126.97 0.20 1 1834 175 GLU C C 177.15 0.20 1 1835 175 GLU CA C 57.99 0.20 1 1836 175 GLU CB C 29.54 0.20 1 1837 175 GLU CG C 35.68 0.20 1 1838 175 GLU H H 8.57 0.02 1 1839 175 GLU HA H 4.02 0.02 1 1840 175 GLU HB2 H 2.06 0.02 2 1841 175 GLU HB3 H 1.95 0.02 2 1842 175 GLU HG2 H 2.22 0.02 2 1843 175 GLU HG3 H 2.33 0.02 2 1844 175 GLU N N 121.03 0.20 1 1845 176 GLY C C 174.49 0.20 1 1846 176 GLY CA C 45.51 0.20 1 1847 176 GLY H H 8.82 0.02 1 1848 176 GLY HA2 H 4.20 0.02 2 1849 176 GLY HA3 H 3.74 0.02 2 1850 176 GLY N N 113.04 0.20 1 1851 177 CYS C C 174.58 0.20 1 1852 177 CYS CA C 58.48 0.20 1 1853 177 CYS CB C 30.23 0.20 1 1854 177 CYS H H 7.92 0.02 1 1855 177 CYS HA H 4.71 0.02 1 1856 177 CYS HB2 H 3.21 0.02 2 1857 177 CYS HB3 H 2.91 0.02 2 1858 177 CYS N N 118.40 0.20 1 1859 178 SER C C 173.25 0.20 1 1860 178 SER CA C 58.65 0.20 1 1861 178 SER CB C 63.98 0.20 1 1862 178 SER H H 8.69 0.02 1 1863 178 SER HA H 4.45 0.02 1 1864 178 SER HB2 H 3.99 0.02 2 1865 178 SER HB3 H 3.85 0.02 2 1866 178 SER N N 114.52 0.20 1 1867 179 SER C C 182.01 0.20 1 1868 179 SER CA C 56.44 0.20 1 1869 179 SER CB C 64.24 0.20 1 1870 179 SER H H 7.48 0.02 1 1871 179 SER HA H 4.97 0.02 1 1872 179 SER HB2 H 3.95 0.02 2 1873 179 SER HB3 H 3.80 0.02 2 1874 179 SER N N 116.02 0.20 1 1875 180 PRO C C 174.44 0.20 1 1876 180 PRO CA C 62.62 0.20 1 1877 180 PRO CB C 32.98 0.20 1 1878 180 PRO CD C 51.23 0.20 1 1879 180 PRO CG C 27.14 0.20 1 1880 180 PRO HA H 4.60 0.02 1 1881 180 PRO HB2 H 1.85 0.02 2 1882 180 PRO HB3 H 1.44 0.02 2 1883 180 PRO HD2 H 3.80 0.02 2 1884 180 PRO HD3 H 3.59 0.02 2 1885 180 PRO HG2 H 1.78 0.02 2 1886 180 PRO HG3 H 1.72 0.02 2 1887 181 MET C C 174.99 0.20 1 1888 181 MET CA C 56.83 0.20 1 1889 181 MET CB C 35.38 0.20 1 1890 181 MET CG C 31.31 0.20 1 1891 181 MET H H 8.21 0.02 1 1892 181 MET HA H 4.41 0.02 1 1893 181 MET HB2 H 2.02 0.02 1 1894 181 MET HG2 H 2.51 0.02 2 1895 181 MET HG3 H 2.66 0.02 2 1896 181 MET N N 118.94 0.20 1 1897 182 VAL C C 174.91 0.20 1 1898 182 VAL CA C 60.64 0.20 1 1899 182 VAL CB C 35.43 0.20 1 1900 182 VAL CG1 C 21.30 0.20 2 1901 182 VAL CG2 C 20.70 0.20 2 1902 182 VAL H H 8.20 0.02 1 1903 182 VAL HA H 4.75 0.02 1 1904 182 VAL HB H 1.78 0.02 1 1905 182 VAL HG1 H 1.16 0.02 1 1906 182 VAL HG2 H 1.16 0.02 1 1907 182 VAL N N 125.86 0.20 1 1908 183 VAL C C 173.01 0.20 1 1909 183 VAL CA C 61.51 0.20 1 1910 183 VAL CB C 34.39 0.20 1 1911 183 VAL CG1 C 23.50 0.20 2 1912 183 VAL CG2 C 21.92 0.20 2 1913 183 VAL HA H 5.01 0.02 1 1914 183 VAL HB H 2.04 0.02 1 1915 183 VAL HG1 H 0.81 0.02 1 1916 183 VAL HG2 H 1.08 0.02 1 1917 184 LYS C C 174.36 0.20 1 1918 184 LYS CA C 53.72 0.20 1 1919 184 LYS CB C 35.79 0.20 1 1920 184 LYS CG C 23.27 0.20 1 1921 184 LYS H H 8.80 0.02 1 1922 184 LYS HA H 4.58 0.02 1 1923 184 LYS HB2 H 1.86 0.02 2 1924 184 LYS HB3 H 1.66 0.02 2 1925 184 LYS HG2 H 1.38 0.02 2 1926 184 LYS HG3 H 1.29 0.02 2 1927 184 LYS N N 120.85 0.20 1 1928 185 PHE C C 176.97 0.20 1 1929 185 PHE CA C 61.36 0.20 1 1930 185 PHE CB C 38.71 0.20 1 1931 185 PHE CD1 C 131.65 0.20 1 1932 185 PHE H H 8.29 0.02 1 1933 185 PHE HA H 4.67 0.02 1 1934 185 PHE HB2 H 3.42 0.02 2 1935 185 PHE HB3 H 2.77 0.02 2 1936 185 PHE HD1 H 7.30 0.02 2 1937 185 PHE HE1 H 7.20 0.02 2 1938 185 PHE HZ H 6.98 0.02 1 1939 185 PHE N N 119.50 0.20 1 1940 186 ALA C C 177.84 0.20 1 1941 186 ALA CA C 54.08 0.20 1 1942 186 ALA CB C 18.65 0.20 1 1943 186 ALA H H 8.97 0.02 1 1944 186 ALA HA H 4.25 0.02 1 1945 186 ALA HB H 1.51 0.02 1 1946 186 ALA N N 124.31 0.20 1 1947 187 ASP C C 176.71 0.20 1 1948 187 ASP CA C 53.04 0.20 1 1949 187 ASP CB C 41.07 0.20 1 1950 187 ASP H H 8.37 0.02 1 1951 187 ASP HA H 4.76 0.02 1 1952 187 ASP HB2 H 3.02 0.02 2 1953 187 ASP HB3 H 2.59 0.02 2 1954 187 ASP N N 121.81 0.20 1 stop_ save_