data_5202 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H, 13C and 15N resonances of the catalytic domain of the rat 2',3'-cyclic nucleotide 3'-phosphodiesterase ; _BMRB_accession_number 5202 _BMRB_flat_file_name bmr5202.str _Entry_type original _Submission_date 2001-11-06 _Accession_date 2001-11-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kozlov Guennadi . . 2 Lee John . . 3 Gravel Michel . . 4 Ekiel Irena . . 5 Braun Peter E. . 6 Gehrin Kalle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 902 "13C chemical shifts" 590 "15N chemical shifts" 200 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-06-16 update author 'add relationship loop' 2002-05-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7167 'CNPase homolog (RICH) protein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of the 1H, 13C and 15N Resonances of the Catalytic Domain of the Rat 2',3'-cyclic Nucleotide 3'-phosphodiesterase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21882796 _PubMed_ID 11885989 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kozlov Guennadi . . 2 Lee John . . 3 Gravel Michel . . 4 Ekiel Irena . . 5 Braun Peter E. . 6 Gehrin Kalle . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 99 _Page_last 100 _Year 2002 _Details . loop_ _Keyword CNP phosphodiesterase 'NMR resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_system_CNP_catalytic_domain _Saveframe_category molecular_system _Mol_system_name 'CNP catalytic domain' _Abbreviation_common 'CNP catalytic domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CNP catalytic domain' $CNP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CNP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '2',3'-cyclic nucleotide 3'-phosphodiesterase' _Abbreviation_common CNP _Molecular_mass 24218 _Mol_thiol_state 'all free' _Details 'The N-terminal residues GSHM are the cloning artifact.' ############################## # Polymer residue sequence # ############################## _Residue_count 219 _Mol_residue_sequence ; GSHMFLPLYFGWFLTKKSSE TLRKAGQVFLEELGNHKAFK KELRHFISGDEPKEKLDLVS YFGKRPPGVLHCTTKFCDYG KATGAEEYAQQDVVRRSYGK AFKLSISALFVTPKTAGAQV VLNEQELQLWPSDLDKPSSS ESLPPGSRAHVTLGCAADVQ PVQTGLDLLEILQQVKGGSQ GEEVGELPRGKLYSLGKGRW MLSLAKKMEVKAIFTGYYG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 PHE 6 LEU 7 PRO 8 LEU 9 TYR 10 PHE 11 GLY 12 TRP 13 PHE 14 LEU 15 THR 16 LYS 17 LYS 18 SER 19 SER 20 GLU 21 THR 22 LEU 23 ARG 24 LYS 25 ALA 26 GLY 27 GLN 28 VAL 29 PHE 30 LEU 31 GLU 32 GLU 33 LEU 34 GLY 35 ASN 36 HIS 37 LYS 38 ALA 39 PHE 40 LYS 41 LYS 42 GLU 43 LEU 44 ARG 45 HIS 46 PHE 47 ILE 48 SER 49 GLY 50 ASP 51 GLU 52 PRO 53 LYS 54 GLU 55 LYS 56 LEU 57 ASP 58 LEU 59 VAL 60 SER 61 TYR 62 PHE 63 GLY 64 LYS 65 ARG 66 PRO 67 PRO 68 GLY 69 VAL 70 LEU 71 HIS 72 CYS 73 THR 74 THR 75 LYS 76 PHE 77 CYS 78 ASP 79 TYR 80 GLY 81 LYS 82 ALA 83 THR 84 GLY 85 ALA 86 GLU 87 GLU 88 TYR 89 ALA 90 GLN 91 GLN 92 ASP 93 VAL 94 VAL 95 ARG 96 ARG 97 SER 98 TYR 99 GLY 100 LYS 101 ALA 102 PHE 103 LYS 104 LEU 105 SER 106 ILE 107 SER 108 ALA 109 LEU 110 PHE 111 VAL 112 THR 113 PRO 114 LYS 115 THR 116 ALA 117 GLY 118 ALA 119 GLN 120 VAL 121 VAL 122 LEU 123 ASN 124 GLU 125 GLN 126 GLU 127 LEU 128 GLN 129 LEU 130 TRP 131 PRO 132 SER 133 ASP 134 LEU 135 ASP 136 LYS 137 PRO 138 SER 139 SER 140 SER 141 GLU 142 SER 143 LEU 144 PRO 145 PRO 146 GLY 147 SER 148 ARG 149 ALA 150 HIS 151 VAL 152 THR 153 LEU 154 GLY 155 CYS 156 ALA 157 ALA 158 ASP 159 VAL 160 GLN 161 PRO 162 VAL 163 GLN 164 THR 165 GLY 166 LEU 167 ASP 168 LEU 169 LEU 170 GLU 171 ILE 172 LEU 173 GLN 174 GLN 175 VAL 176 LYS 177 GLY 178 GLY 179 SER 180 GLN 181 GLY 182 GLU 183 GLU 184 VAL 185 GLY 186 GLU 187 LEU 188 PRO 189 ARG 190 GLY 191 LYS 192 LEU 193 TYR 194 SER 195 LEU 196 GLY 197 LYS 198 GLY 199 ARG 200 TRP 201 MET 202 LEU 203 SER 204 LEU 205 ALA 206 LYS 207 LYS 208 MET 209 GLU 210 VAL 211 LYS 212 ALA 213 ILE 214 PHE 215 THR 216 GLY 217 TYR 218 TYR 219 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2ILX "Solution Structure Of Catalytic Domain Of Rat 2',3'-Cyclic- Nucleotide 3'-Phosphodiesterase (Cnp) Protein" 100.00 219 100.00 100.00 2.75e-157 GB AAA64429 "2',3'-cyclic nucleotide 3'-phosphodiesterase [Rattus norvegicus]" 98.17 420 100.00 100.00 1.14e-151 GB AAH98066 "2',3'-cyclic nucleotide 3' phosphodiesterase [Rattus norvegicus]" 98.17 420 100.00 100.00 1.14e-151 GB AIS72844 "2',3'-cyclic nucleotide 3' phosphodiesterase transcript variant 1 [Rattus norvegicus]" 98.17 400 100.00 100.00 1.09e-151 GB EDM06047 "cyclic nucleotide phosphodiesterase 1, isoform CRA_a [Rattus norvegicus]" 98.17 420 100.00 100.00 1.14e-151 GB EDM06048 "cyclic nucleotide phosphodiesterase 1, isoform CRA_b [Rattus norvegicus]" 98.17 400 100.00 100.00 1.09e-151 REF NP_036941 "2',3'-cyclic-nucleotide 3'-phosphodiesterase [Rattus norvegicus]" 98.17 420 100.00 100.00 1.14e-151 REF XP_006247322 "PREDICTED: 2',3'-cyclic-nucleotide 3'-phosphodiesterase isoform X1 [Rattus norvegicus]" 98.17 400 100.00 100.00 1.09e-151 REF XP_006247323 "PREDICTED: 2',3'-cyclic-nucleotide 3'-phosphodiesterase isoform X1 [Rattus norvegicus]" 98.17 400 100.00 100.00 1.09e-151 REF XP_008766170 "PREDICTED: 2',3'-cyclic-nucleotide 3'-phosphodiesterase isoform X1 [Rattus norvegicus]" 98.17 400 100.00 100.00 1.09e-151 SP P13233 "RecName: Full=2',3'-cyclic-nucleotide 3'-phosphodiesterase; Short=CNP; Short=CNPase; Flags: Precursor [Rattus norvegicus]" 98.17 420 100.00 100.00 1.14e-151 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CNP Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $CNP 'recombinant technology' 'E. coli' Escherichia coli . plasmid pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CNP 1.0 mM '[U-13C; U-15N; U-90% 2H]' NaCl 0.15 M . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CNP . mM 1.0 2.0 [U-15N] NaCl 0.15 M . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CNP 1.0 mM '[U-13C; U-15N]' NaCl 0.15 M . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.1 loop_ _Task 'data collection' stop_ _Details . save_ save_GIFA _Saveframe_category software _Name GIFA _Version 4.31 loop_ _Task 'data processing' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_3D_1H-13C-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H NOESY' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 na temperature 310 1 K 'ionic strength' 0.15 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D 1H-13C-1H HCCH-TOCSY' '3D 1H-13C-1H NOESY' '3D 1H-1H-15N NOESY' stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CNP catalytic domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 7 PRO CA C 61.5 0.20 1 2 . 7 PRO CB C 30.9 0.20 1 3 . 7 PRO C C 175.9 0.20 1 4 . 8 LEU N N 118.2 0.25 1 5 . 8 LEU H H 8.11 0.01 1 6 . 8 LEU CA C 58.7 0.20 1 7 . 8 LEU HA H 3.08 0.01 1 8 . 8 LEU CB C 40.6 0.20 1 9 . 8 LEU HB2 H 1.67 0.01 2 10 . 8 LEU HB3 H 1.33 0.01 2 11 . 8 LEU HD1 H 1.22 0.01 2 12 . 8 LEU HD2 H 1.00 0.01 2 13 . 8 LEU C C 179.0 0.20 1 14 . 9 TYR N N 105.5 0.25 1 15 . 9 TYR H H 6.71 0.01 1 16 . 9 TYR CA C 56.3 0.20 1 17 . 9 TYR HA H 4.71 0.01 1 18 . 9 TYR CB C 40.1 0.20 1 19 . 9 TYR HB2 H 3.07 0.01 2 20 . 9 TYR C C 172.7 0.20 1 21 . 10 PHE N N 115.0 0.25 1 22 . 10 PHE H H 8.29 0.01 1 23 . 10 PHE CA C 57.2 0.20 1 24 . 10 PHE HA H 5.22 0.01 1 25 . 10 PHE CB C 41.9 0.20 1 26 . 10 PHE HB2 H 3.09 0.01 2 27 . 10 PHE C C 175.8 0.20 1 28 . 11 GLY N N 102.7 0.25 1 29 . 11 GLY H H 8.42 0.01 1 30 . 11 GLY CA C 46.0 0.20 1 31 . 11 GLY HA2 H 4.20 0.01 2 32 . 11 GLY HA3 H 4.16 0.01 2 33 . 11 GLY C C 182.3 0.20 1 34 . 12 TRP N N 115.0 0.25 1 35 . 12 TRP H H 9.05 0.01 1 36 . 12 TRP CA C 58.7 0.20 1 37 . 12 TRP HA H 5.33 0.01 1 38 . 12 TRP HB2 H 3.07 0.01 2 39 . 12 TRP HB3 H 2.92 0.01 2 40 . 12 TRP C C 176.0 0.20 1 41 . 13 PHE N N 123.7 0.25 1 42 . 13 PHE H H 9.94 0.01 1 43 . 13 PHE CA C 57.8 0.20 1 44 . 13 PHE HA H 4.57 0.01 1 45 . 13 PHE CB C 39.1 0.20 1 46 . 13 PHE HB2 H 2.93 0.01 2 47 . 13 PHE C C 175.7 0.20 1 48 . 14 LEU N N 126.6 0.25 1 49 . 14 LEU H H 8.47 0.01 1 50 . 14 LEU CA C 57.6 0.20 1 51 . 14 LEU HA H 4.48 0.01 1 52 . 14 LEU CB C 40.6 0.20 1 53 . 14 LEU HB2 H 1.30 0.01 2 54 . 14 LEU HD1 H 0.71 0.01 2 55 . 14 LEU HD2 H 0.54 0.01 2 56 . 14 LEU C C 177.0 0.20 1 57 . 15 THR N N 106.9 0.25 1 58 . 15 THR H H 7.96 0.01 1 59 . 15 THR CA C 61.2 0.20 1 60 . 15 THR HA H 4.90 0.01 1 61 . 15 THR CB C 70.0 0.20 1 62 . 15 THR HB H 4.47 0.01 1 63 . 15 THR HG2 H 1.37 0.01 1 64 . 18 SER N N 115.2 0.25 1 65 . 18 SER H H 7.84 0.01 1 66 . 18 SER CA C 63.5 0.20 1 67 . 18 SER CB C 63.5 0.20 1 68 . 18 SER C C 175.9 0.20 1 69 . 19 SER N N 115.6 0.25 1 70 . 19 SER H H 9.39 0.01 1 71 . 19 SER CA C 62.3 0.20 1 72 . 19 SER HA H 4.11 0.01 1 73 . 19 SER CB C 63.7 0.20 1 74 . 19 SER HB2 H 4.21 0.01 2 75 . 19 SER C C 176.2 0.20 1 76 . 20 GLU N N 117.5 0.25 1 77 . 20 GLU H H 7.95 0.01 1 78 . 20 GLU CA C 59.2 0.20 1 79 . 20 GLU HA H 4.22 0.01 1 80 . 20 GLU CB C 29.0 0.20 1 81 . 20 GLU HB2 H 2.31 0.01 2 82 . 20 GLU HB3 H 2.19 0.01 2 83 . 20 GLU HG2 H 2.50 0.01 2 84 . 20 GLU HG3 H 2.45 0.01 2 85 . 20 GLU C C 179.2 0.20 1 86 . 21 THR N N 114.1 0.25 1 87 . 21 THR H H 8.05 0.01 1 88 . 21 THR CA C 66.7 0.20 1 89 . 21 THR HA H 4.39 0.01 1 90 . 21 THR CB C 68.8 0.20 1 91 . 21 THR HB H 3.97 0.01 1 92 . 21 THR HG2 H 1.29 0.01 1 93 . 21 THR C C 177.2 0.20 1 94 . 22 LEU N N 120.7 0.25 1 95 . 22 LEU H H 8.27 0.01 1 96 . 22 LEU CA C 57.6 0.20 1 97 . 22 LEU HA H 4.17 0.01 1 98 . 22 LEU CB C 40.3 0.20 1 99 . 22 LEU HB2 H 1.28 0.01 2 100 . 22 LEU HB3 H 0.99 0.01 2 101 . 22 LEU HD1 H 0.81 0.01 2 102 . 22 LEU HD2 H 0.74 0.01 2 103 . 22 LEU C C 177.5 0.20 1 104 . 23 ARG N N 118.0 0.25 1 105 . 23 ARG H H 9.01 0.01 1 106 . 23 ARG CA C 60.0 0.20 1 107 . 23 ARG HA H 3.89 0.01 1 108 . 23 ARG CB C 29.6 0.20 1 109 . 23 ARG HB2 H 2.10 0.01 2 110 . 23 ARG HB3 H 1.96 0.01 2 111 . 23 ARG HG2 H 1.85 0.01 2 112 . 23 ARG HG3 H 1.69 0.01 2 113 . 23 ARG C C 180.3 0.20 1 114 . 24 LYS N N 116.7 0.25 1 115 . 24 LYS H H 8.22 0.01 1 116 . 24 LYS CA C 59.3 0.20 1 117 . 24 LYS HA H 3.90 0.01 1 118 . 24 LYS CB C 31.4 0.20 1 119 . 24 LYS HB2 H 1.98 0.01 2 120 . 24 LYS HB3 H 1.91 0.01 2 121 . 24 LYS HG2 H 1.75 0.01 2 122 . 24 LYS HG3 H 1.63 0.01 2 123 . 24 LYS C C 178.2 0.20 1 124 . 25 ALA N N 118.4 0.25 1 125 . 25 ALA H H 7.78 0.01 1 126 . 25 ALA CA C 55.5 0.20 1 127 . 25 ALA HA H 4.16 0.01 1 128 . 25 ALA CB C 17.3 0.20 1 129 . 25 ALA HB H 1.46 0.01 1 130 . 25 ALA C C 181.5 0.20 1 131 . 26 GLY N N 103.3 0.25 1 132 . 26 GLY H H 8.81 0.01 1 133 . 26 GLY CA C 47.5 0.20 1 134 . 26 GLY HA2 H 3.89 0.01 2 135 . 26 GLY HA3 H 3.71 0.01 2 136 . 26 GLY C C 174.4 0.20 1 137 . 27 GLN N N 120.3 0.25 1 138 . 27 GLN H H 8.24 0.01 1 139 . 27 GLN CA C 59.8 0.20 1 140 . 27 GLN HA H 3.93 0.01 1 141 . 27 GLN CB C 28.1 0.20 1 142 . 27 GLN HB2 H 2.29 0.01 2 143 . 27 GLN HB3 H 2.22 0.01 2 144 . 27 GLN HG2 H 2.45 0.01 2 145 . 27 GLN HG3 H 2.38 0.01 2 146 . 27 GLN C C 178.2 0.20 1 147 . 28 VAL N N 116.3 0.25 1 148 . 28 VAL H H 8.32 0.01 1 149 . 28 VAL CA C 66.2 0.20 1 150 . 28 VAL HA H 3.78 0.01 1 151 . 28 VAL CB C 31.3 0.20 1 152 . 28 VAL HB H 2.09 0.01 1 153 . 28 VAL HG1 H 1.13 0.01 2 154 . 28 VAL HG2 H 1.00 0.01 2 155 . 28 VAL C C 178.5 0.20 1 156 . 29 PHE N N 116.1 0.25 1 157 . 29 PHE H H 7.65 0.01 1 158 . 29 PHE CA C 58.7 0.20 1 159 . 29 PHE HA H 3.78 0.01 1 160 . 29 PHE CB C 38.4 0.20 1 161 . 29 PHE HB2 H 3.18 0.01 2 162 . 29 PHE HD1 H 7.08 0.01 3 163 . 29 PHE C C 179.1 0.20 1 164 . 30 LEU N N 115.4 0.25 1 165 . 30 LEU H H 8.03 0.01 1 166 . 30 LEU CA C 55.2 0.20 1 167 . 30 LEU HA H 3.34 0.01 1 168 . 30 LEU CB C 41.4 0.20 1 169 . 30 LEU HB2 H 1.96 0.01 2 170 . 30 LEU HB3 H 1.46 0.01 2 171 . 30 LEU HD1 H 0.81 0.01 2 172 . 30 LEU HD2 H 0.49 0.01 2 173 . 30 LEU C C 180.5 0.20 1 174 . 31 GLU N N 118.0 0.25 1 175 . 31 GLU H H 8.17 0.01 1 176 . 31 GLU CA C 59.3 0.20 1 177 . 31 GLU HA H 3.80 0.01 1 178 . 31 GLU CB C 29.5 0.20 1 179 . 31 GLU HB2 H 2.18 0.01 2 180 . 31 GLU HB3 H 2.03 0.01 2 181 . 31 GLU HG2 H 2.42 0.01 2 182 . 31 GLU HG3 H 2.30 0.01 2 183 . 31 GLU C C 179.1 0.20 1 184 . 32 GLU N N 116.5 0.25 1 185 . 32 GLU H H 8.52 0.01 1 186 . 32 GLU CA C 58.7 0.20 1 187 . 32 GLU HA H 3.99 0.01 1 188 . 32 GLU CB C 29.4 0.20 1 189 . 32 GLU HB2 H 2.02 0.01 2 190 . 32 GLU HG2 H 2.57 0.01 2 191 . 32 GLU HG3 H 2.31 0.01 2 192 . 32 GLU C C 180.3 0.20 1 193 . 33 LEU N N 118.6 0.25 1 194 . 33 LEU H H 8.91 0.01 1 195 . 33 LEU CA C 57.4 0.20 1 196 . 33 LEU HA H 3.56 0.01 1 197 . 33 LEU CB C 40.3 0.20 1 198 . 33 LEU HB2 H 0.81 0.01 2 199 . 33 LEU HB3 H 0.57 0.01 2 200 . 33 LEU HD1 H 0.15 0.01 2 201 . 33 LEU HD2 H -0.06 0.01 2 202 . 33 LEU C C 178.1 0.20 1 203 . 34 GLY N N 97.8 0.25 1 204 . 34 GLY H H 7.20 0.01 1 205 . 34 GLY CA C 45.7 0.20 1 206 . 34 GLY HA2 H 3.68 0.01 2 207 . 34 GLY HA3 H 3.13 0.01 2 208 . 34 GLY C C 174.6 0.20 1 209 . 35 ASN N N 111.2 0.25 1 210 . 35 ASN H H 6.82 0.01 1 211 . 35 ASN CA C 52.6 0.20 1 212 . 35 ASN HA H 4.82 0.01 1 213 . 35 ASN CB C 40.3 0.20 1 214 . 35 ASN HB2 H 2.92 0.01 2 215 . 35 ASN HB3 H 2.63 0.01 2 216 . 35 ASN C C 174.7 0.20 1 217 . 36 HIS N N 122.6 0.25 1 218 . 36 HIS H H 7.87 0.01 1 219 . 36 HIS CA C 59.0 0.20 1 220 . 36 HIS HA H 4.21 0.01 1 221 . 36 HIS CB C 31.8 0.20 1 222 . 36 HIS HB2 H 3.30 0.01 2 223 . 36 HIS HB3 H 3.05 0.01 2 224 . 36 HIS C C 177.8 0.20 1 225 . 37 LYS N N 126.9 0.25 1 226 . 37 LYS H H 8.69 0.01 1 227 . 37 LYS CA C 60.0 0.20 1 228 . 37 LYS HA H 3.97 0.01 1 229 . 37 LYS CB C 31.9 0.20 1 230 . 37 LYS HB2 H 1.89 0.01 2 231 . 37 LYS HB3 H 1.84 0.01 2 232 . 37 LYS HG2 H 1.58 0.01 2 233 . 37 LYS HG3 H 1.44 0.01 2 234 . 38 ALA N N 119.8 0.25 1 235 . 38 ALA H H 6.41 0.01 1 236 . 38 ALA CA C 55.1 0.20 1 237 . 38 ALA HA H 4.39 0.01 1 238 . 38 ALA CB C 18.4 0.20 1 239 . 38 ALA HB H 1.89 0.01 1 240 . 38 ALA C C 180.0 0.20 1 241 . 39 PHE N N 116.1 0.25 1 242 . 39 PHE H H 7.04 0.01 1 243 . 39 PHE CA C 60.7 0.20 1 244 . 39 PHE HA H 3.87 0.01 1 245 . 39 PHE CB C 40.0 0.20 1 246 . 39 PHE HB2 H 3.23 0.01 2 247 . 39 PHE HB3 H 3.05 0.01 2 248 . 39 PHE C C 179.5 0.20 1 249 . 40 LYS N N 116.5 0.25 1 250 . 40 LYS H H 8.12 0.01 1 251 . 40 LYS CA C 59.8 0.20 1 252 . 40 LYS HA H 3.77 0.01 1 253 . 40 LYS CB C 31.5 0.20 1 254 . 40 LYS HB2 H 1.86 0.01 2 255 . 40 LYS HB3 H 1.74 0.01 2 256 . 40 LYS HG2 H 2.10 0.01 2 257 . 40 LYS HG3 H 1.99 0.01 2 258 . 40 LYS HD2 H 1.52 0.01 2 259 . 40 LYS C C 179.2 0.20 1 260 . 41 LYS N N 115.0 0.25 1 261 . 41 LYS H H 7.59 0.01 1 262 . 41 LYS CA C 58.7 0.20 1 263 . 41 LYS HA H 4.20 0.01 1 264 . 41 LYS CB C 32.3 0.20 1 265 . 41 LYS HB2 H 2.11 0.01 2 266 . 41 LYS HB3 H 1.86 0.01 2 267 . 41 LYS HG2 H 1.74 0.01 2 268 . 41 LYS HG3 H 1.68 0.01 2 269 . 41 LYS C C 178.2 0.20 1 270 . 42 GLU N N 114.2 0.25 1 271 . 42 GLU H H 7.19 0.01 1 272 . 42 GLU CA C 55.2 0.20 1 273 . 42 GLU HA H 4.71 0.01 1 274 . 42 GLU CB C 30.8 0.20 1 275 . 42 GLU HB2 H 2.09 0.01 2 276 . 42 GLU HG2 H 2.99 0.01 2 277 . 42 GLU HG3 H 2.61 0.01 2 278 . 42 GLU C C 176.7 0.20 1 279 . 43 LEU N N 119.5 0.25 1 280 . 43 LEU H H 6.98 0.01 1 281 . 43 LEU CA C 58.2 0.20 1 282 . 43 LEU HA H 4.02 0.01 1 283 . 43 LEU CB C 42.2 0.20 1 284 . 43 LEU HB2 H 1.74 0.01 2 285 . 43 LEU HB3 H 1.49 0.01 2 286 . 43 LEU HD1 H 0.84 0.01 2 287 . 43 LEU HD2 H 0.74 0.01 2 288 . 43 LEU C C 179.0 0.20 1 289 . 44 ARG N N 114.4 0.25 1 290 . 44 ARG H H 8.49 0.01 1 291 . 44 ARG CA C 58.0 0.20 1 292 . 44 ARG HA H 4.25 0.01 1 293 . 44 ARG CB C 32.3 0.20 1 294 . 44 ARG HB2 H 1.76 0.01 2 295 . 44 ARG HB3 H 1.67 0.01 2 296 . 44 ARG HG2 H 1.36 0.01 2 297 . 44 ARG C C 177.0 0.20 1 298 . 45 HIS N N 113.5 0.25 1 299 . 45 HIS H H 7.88 0.01 1 300 . 45 HIS CA C 56.5 0.20 1 301 . 45 HIS HA H 3.84 0.01 1 302 . 45 HIS CB C 30.1 0.20 1 303 . 45 HIS HB2 H 3.22 0.01 2 304 . 45 HIS HB3 H 3.14 0.01 2 305 . 45 HIS C C 177.4 0.20 1 306 . 46 PHE N N 118.0 0.25 1 307 . 46 PHE H H 8.19 0.01 1 308 . 46 PHE CA C 59.8 0.20 1 309 . 46 PHE HA H 4.59 0.01 1 310 . 46 PHE CB C 41.9 0.20 1 311 . 46 PHE HB2 H 3.12 0.01 2 312 . 46 PHE HB3 H 2.94 0.01 2 313 . 46 PHE C C 175.3 0.20 1 314 . 47 ILE N N 112.9 0.25 1 315 . 47 ILE H H 7.67 0.01 1 316 . 47 ILE CA C 59.8 0.20 1 317 . 47 ILE HA H 4.40 0.01 1 318 . 47 ILE CB C 39.5 0.20 1 319 . 47 ILE HB H 1.97 0.01 1 320 . 47 ILE HG2 H 1.01 0.01 1 321 . 47 ILE HG12 H 1.55 0.01 2 322 . 47 ILE HG13 H 1.32 0.01 2 323 . 47 ILE HD1 H 0.92 0.01 1 324 . 47 ILE C C 175.3 0.20 1 325 . 48 SER N N 116.1 0.25 1 326 . 48 SER H H 8.20 0.01 1 327 . 48 SER CA C 58.1 0.20 1 328 . 48 SER HA H 4.58 0.01 1 329 . 48 SER CB C 64.2 0.20 1 330 . 48 SER HB2 H 3.93 0.01 2 331 . 48 SER C C 175.2 0.20 1 332 . 49 GLY N N 108.4 0.25 1 333 . 49 GLY H H 8.25 0.01 1 334 . 49 GLY CA C 45.2 0.20 1 335 . 49 GLY HA2 H 4.16 0.01 2 336 . 49 GLY HA3 H 3.96 0.01 2 337 . 49 GLY C C 173.8 0.20 1 338 . 50 ASP N N 117.3 0.25 1 339 . 50 ASP H H 8.20 0.01 1 340 . 50 ASP CA C 54.4 0.20 1 341 . 50 ASP HA H 4.58 0.01 1 342 . 50 ASP CB C 41.2 0.20 1 343 . 50 ASP HB2 H 2.75 0.01 2 344 . 50 ASP HB3 H 2.59 0.01 2 345 . 50 ASP C C 176.1 0.20 1 346 . 51 GLU N N 118.8 0.25 1 347 . 51 GLU H H 8.15 0.01 1 348 . 51 GLU CA C 54.4 0.20 1 349 . 51 GLU HA H 4.64 0.01 1 350 . 51 GLU CB C 29.6 0.20 1 351 . 51 GLU HB2 H 2.04 0.01 2 352 . 51 GLU HB3 H 1.94 0.01 2 353 . 51 GLU HG2 H 2.30 0.01 2 354 . 52 PRO CA C 63.0 0.20 1 355 . 52 PRO CB C 31.4 0.20 1 356 . 52 PRO C C 177.0 0.20 1 357 . 53 LYS N N 118.8 0.25 1 358 . 53 LYS H H 8.21 0.01 1 359 . 53 LYS CA C 56.0 0.20 1 360 . 53 LYS HA H 4.45 0.01 1 361 . 53 LYS CB C 33.0 0.20 1 362 . 53 LYS HB2 H 1.75 0.01 2 363 . 53 LYS HG2 H 1.52 0.01 2 364 . 53 LYS HG3 H 1.50 0.01 2 365 . 53 LYS HE2 H 3.08 0.01 2 366 . 53 LYS C C 176.3 0.20 1 367 . 54 GLU N N 116.7 0.25 1 368 . 54 GLU H H 8.22 0.01 1 369 . 54 GLU CA C 56.6 0.20 1 370 . 54 GLU HA H 4.39 0.01 1 371 . 54 GLU CB C 30.4 0.20 1 372 . 54 GLU HB2 H 2.10 0.01 2 373 . 54 GLU HG2 H 2.28 0.01 2 374 . 54 GLU C C 175.8 0.20 1 375 . 55 LYS N N 115.4 0.25 1 376 . 55 LYS H H 7.75 0.01 1 377 . 55 LYS CA C 55.8 0.20 1 378 . 55 LYS HA H 4.29 0.01 1 379 . 55 LYS CB C 33.4 0.20 1 380 . 55 LYS HB2 H 1.78 0.01 2 381 . 55 LYS HB3 H 1.66 0.01 2 382 . 55 LYS HG2 H 1.54 0.01 2 383 . 55 LYS HG3 H 1.49 0.01 2 384 . 55 LYS HE2 H 2.98 0.01 2 385 . 55 LYS C C 174.7 0.20 1 386 . 56 LEU N N 122.2 0.25 1 387 . 56 LEU H H 8.30 0.01 1 388 . 56 LEU CA C 54.6 0.20 1 389 . 56 LEU HA H 4.41 0.01 1 390 . 56 LEU CB C 44.0 0.20 1 391 . 56 LEU HB2 H 1.33 0.01 2 392 . 56 LEU HB3 H 1.24 0.01 2 393 . 56 LEU HD2 H 0.63 0.01 2 394 . 56 LEU C C 175.1 0.20 1 395 . 57 ASP N N 123.9 0.25 1 396 . 57 ASP H H 8.49 0.01 1 397 . 57 ASP CA C 52.5 0.20 1 398 . 57 ASP HA H 4.65 0.01 1 399 . 57 ASP CB C 40.7 0.20 1 400 . 57 ASP HB2 H 2.92 0.01 2 401 . 57 ASP HB3 H 2.65 0.01 2 402 . 57 ASP C C 176.8 0.20 1 403 . 58 LEU N N 125.0 0.25 1 404 . 58 LEU H H 8.95 0.01 1 405 . 58 LEU CA C 56.8 0.20 1 406 . 58 LEU HA H 4.05 0.01 1 407 . 58 LEU CB C 42.3 0.20 1 408 . 58 LEU HB2 H 1.58 0.01 2 409 . 58 LEU HB3 H 1.39 0.01 2 410 . 58 LEU HG H 1.05 0.01 1 411 . 58 LEU HD1 H 0.34 0.01 2 412 . 58 LEU HD2 H 0.19 0.01 2 413 . 58 LEU C C 178.3 0.20 1 414 . 59 VAL N N 116.3 0.25 1 415 . 59 VAL H H 7.75 0.01 1 416 . 59 VAL CA C 66.4 0.20 1 417 . 59 VAL HA H 3.62 0.01 1 418 . 59 VAL CB C 30.6 0.20 1 419 . 59 VAL HB H 2.33 0.01 1 420 . 59 VAL HG1 H 1.06 0.01 2 421 . 59 VAL HG2 H 0.94 0.01 2 422 . 59 VAL C C 179.5 0.20 1 423 . 60 SER N N 111.0 0.25 1 424 . 60 SER H H 7.30 0.01 1 425 . 60 SER CA C 60.6 0.20 1 426 . 60 SER HA H 4.26 0.01 1 427 . 60 SER CB C 63.1 0.20 1 428 . 60 SER HB2 H 3.88 0.01 2 429 . 60 SER C C 177.6 0.20 1 430 . 61 TYR N N 122.4 0.25 1 431 . 61 TYR H H 8.13 0.01 1 432 . 61 TYR CA C 62.0 0.20 1 433 . 61 TYR HA H 3.99 0.01 1 434 . 61 TYR CB C 39.4 0.20 1 435 . 61 TYR HB2 H 2.99 0.01 2 436 . 61 TYR HB3 H 2.81 0.01 2 437 . 61 TYR HD1 H 6.04 0.01 3 438 . 61 TYR C C 177.1 0.20 1 439 . 62 PHE N N 112.7 0.25 1 440 . 62 PHE H H 7.42 0.01 1 441 . 62 PHE CA C 57.9 0.20 1 442 . 62 PHE HA H 4.61 0.01 1 443 . 62 PHE CB C 37.6 0.20 1 444 . 62 PHE HB2 H 3.20 0.01 2 445 . 62 PHE HB3 H 2.76 0.01 2 446 . 62 PHE C C 176.5 0.20 1 447 . 63 GLY N N 104.2 0.25 1 448 . 63 GLY H H 7.36 0.01 1 449 . 63 GLY CA C 46.5 0.20 1 450 . 63 GLY HA2 H 4.12 0.01 2 451 . 63 GLY HA3 H 3.89 0.01 2 452 . 63 GLY C C 174.6 0.20 1 453 . 64 LYS N N 118.8 0.25 1 454 . 64 LYS H H 8.05 0.01 1 455 . 64 LYS CA C 56.6 0.20 1 456 . 64 LYS HA H 4.44 0.01 1 457 . 64 LYS CB C 31.5 0.20 1 458 . 64 LYS HB2 H 1.94 0.01 2 459 . 64 LYS HB3 H 1.77 0.01 2 460 . 64 LYS HG2 H 1.51 0.01 2 461 . 64 LYS HG3 H 1.34 0.01 2 462 . 64 LYS HE2 H 3.03 0.01 2 463 . 64 LYS C C 175.9 0.20 1 464 . 65 ARG N N 120.5 0.25 1 465 . 65 ARG H H 8.17 0.01 1 466 . 65 ARG CA C 53.5 0.20 1 467 . 65 ARG HA H 4.44 0.01 1 468 . 65 ARG CB C 30.6 0.20 1 469 . 65 ARG HB2 H 1.78 0.01 2 470 . 65 ARG HG2 H 1.51 0.01 2 471 . 65 ARG HD2 H 3.30 0.01 2 472 . 65 ARG HD3 H 3.04 0.01 2 473 . 67 PRO CA C 63.2 0.20 1 474 . 67 PRO HA H 4.57 0.01 1 475 . 67 PRO CB C 32.0 0.20 1 476 . 67 PRO HB2 H 2.40 0.01 2 477 . 67 PRO HB3 H 2.05 0.01 2 478 . 67 PRO HG2 H 2.15 0.01 2 479 . 67 PRO C C 177.5 0.20 1 480 . 68 GLY N N 106.7 0.25 1 481 . 68 GLY H H 8.29 0.01 1 482 . 68 GLY CA C 44.9 0.20 1 483 . 68 GLY HA2 H 4.27 0.01 2 484 . 68 GLY HA3 H 4.06 0.01 2 485 . 68 GLY C C 174.8 0.20 1 486 . 69 VAL N N 115.0 0.25 1 487 . 69 VAL H H 8.14 0.01 1 488 . 69 VAL CA C 61.6 0.20 1 489 . 69 VAL HA H 4.38 0.01 1 490 . 69 VAL CB C 33.2 0.20 1 491 . 69 VAL HB H 2.45 0.01 1 492 . 69 VAL HG1 H 1.31 0.01 2 493 . 69 VAL C C 177.2 0.20 1 494 . 70 LEU N N 122.4 0.25 1 495 . 70 LEU H H 8.39 0.01 1 496 . 70 LEU CA C 55.4 0.20 1 497 . 70 LEU HA H 4.53 0.01 1 498 . 70 LEU CB C 41.7 0.20 1 499 . 70 LEU HB2 H 1.82 0.01 2 500 . 70 LEU HB3 H 1.31 0.01 2 501 . 70 LEU HD1 H 1.00 0.01 2 502 . 70 LEU HD2 H 0.87 0.01 2 503 . 70 LEU C C 176.4 0.20 1 504 . 71 HIS N N 111.6 0.25 1 505 . 71 HIS H H 7.83 0.01 1 506 . 71 HIS CA C 54.7 0.20 1 507 . 71 HIS HA H 5.36 0.01 1 508 . 71 HIS CB C 31.7 0.20 1 509 . 71 HIS HB2 H 2.50 0.01 2 510 . 71 HIS HB3 H 2.07 0.01 2 511 . 71 HIS C C 171.3 0.20 1 512 . 72 CYS N N 119.9 0.25 1 513 . 72 CYS H H 9.25 0.01 1 514 . 72 CYS CA C 56.3 0.20 1 515 . 72 CYS HA H 5.20 0.01 1 516 . 72 CYS CB C 29.3 0.20 1 517 . 72 CYS HB2 H 2.93 0.01 2 518 . 72 CYS HB3 H 2.41 0.01 2 519 . 72 CYS C C 174.2 0.20 1 520 . 73 THR N N 126.9 0.25 1 521 . 73 THR H H 9.68 0.01 1 522 . 73 THR CA C 65.1 0.20 1 523 . 73 THR HA H 4.15 0.01 1 524 . 73 THR CB C 69.3 0.20 1 525 . 73 THR HB H 3.94 0.01 1 526 . 73 THR HG2 H 1.08 0.01 1 527 . 73 THR C C 174.7 0.20 1 528 . 74 THR N N 111.4 0.25 1 529 . 74 THR H H 8.82 0.01 1 530 . 74 THR CA C 60.0 0.20 1 531 . 74 THR HA H 4.31 0.01 1 532 . 74 THR CB C 69.1 0.20 1 533 . 74 THR HB H 4.03 0.01 1 534 . 74 THR HG2 H 0.89 0.01 1 535 . 74 THR C C 172.5 0.20 1 536 . 75 LYS N N 118.0 0.25 1 537 . 75 LYS H H 7.51 0.01 1 538 . 75 LYS CA C 52.6 0.20 1 539 . 75 LYS HA H 4.07 0.01 1 540 . 75 LYS CB C 34.2 0.20 1 541 . 75 LYS HB2 H 2.22 0.01 2 542 . 75 LYS HG2 H 2.12 0.01 2 543 . 75 LYS C C 175.3 0.20 1 544 . 76 PHE N N 129.2 0.25 1 545 . 76 PHE H H 9.26 0.01 1 546 . 76 PHE CA C 59.2 0.20 1 547 . 76 PHE HA H 4.30 0.01 1 548 . 76 PHE CB C 38.7 0.20 1 549 . 76 PHE HB2 H 3.10 0.01 2 550 . 76 PHE C C 174.3 0.20 1 551 . 77 CYS N N 120.9 0.25 1 552 . 77 CYS H H 7.93 0.01 1 553 . 77 CYS CA C 59.8 0.20 1 554 . 77 CYS HA H 4.40 0.01 1 555 . 77 CYS CB C 29.9 0.20 1 556 . 77 CYS HB2 H 2.25 0.01 2 557 . 77 CYS HB3 H 2.08 0.01 2 558 . 77 CYS C C 176.1 0.20 1 559 . 78 ASP N N 123.1 0.25 1 560 . 78 ASP H H 8.49 0.01 1 561 . 78 ASP CA C 54.9 0.20 1 562 . 78 ASP HA H 4.13 0.01 1 563 . 78 ASP CB C 40.9 0.20 1 564 . 78 ASP HB2 H 3.08 0.01 2 565 . 78 ASP C C 176.1 0.20 1 566 . 79 TYR N N 106.7 0.25 1 567 . 79 TYR H H 7.29 0.01 1 568 . 79 TYR CA C 58.9 0.20 1 569 . 79 TYR HA H 3.75 0.01 1 570 . 79 TYR CB C 34.8 0.20 1 571 . 79 TYR HB2 H 3.28 0.01 2 572 . 79 TYR HB3 H 3.10 0.01 2 573 . 79 TYR C C 176.1 0.20 1 574 . 80 GLY N N 101.3 0.25 1 575 . 80 GLY H H 7.50 0.01 1 576 . 80 GLY CA C 45.0 0.20 1 577 . 80 GLY HA2 H 4.80 0.01 2 578 . 80 GLY HA3 H 3.29 0.01 2 579 . 80 GLY C C 175.8 0.20 1 580 . 81 LYS N N 116.9 0.25 1 581 . 81 LYS H H 7.64 0.01 1 582 . 81 LYS CA C 57.7 0.20 1 583 . 81 LYS HA H 4.26 0.01 1 584 . 81 LYS CB C 32.5 0.20 1 585 . 81 LYS HB2 H 2.11 0.01 2 586 . 81 LYS HB3 H 2.04 0.01 2 587 . 81 LYS HG2 H 1.65 0.01 2 588 . 81 LYS HG3 H 1.58 0.01 2 589 . 81 LYS C C 177.6 0.20 1 590 . 82 ALA N N 116.9 0.25 1 591 . 82 ALA H H 7.35 0.01 1 592 . 82 ALA CA C 51.9 0.20 1 593 . 82 ALA HA H 4.53 0.01 1 594 . 82 ALA CB C 19.4 0.20 1 595 . 82 ALA HB H 1.30 0.01 1 596 . 82 ALA C C 178.1 0.20 1 597 . 83 THR N N 116.1 0.25 1 598 . 83 THR H H 8.51 0.01 1 599 . 83 THR CA C 64.1 0.20 1 600 . 83 THR HA H 4.12 0.01 1 601 . 83 THR CB C 69.0 0.20 1 602 . 83 THR HB H 4.00 0.01 1 603 . 83 THR HG2 H 1.35 0.01 1 604 . 83 THR C C 176.4 0.20 1 605 . 84 GLY N N 112.8 0.25 1 606 . 84 GLY H H 9.30 0.01 1 607 . 84 GLY CA C 45.9 0.20 1 608 . 84 GLY HA2 H 4.12 0.01 2 609 . 84 GLY C C 175.9 0.20 1 610 . 85 ALA N N 121.8 0.25 1 611 . 85 ALA H H 8.00 0.01 1 612 . 85 ALA CA C 56.4 0.20 1 613 . 85 ALA HA H 3.97 0.01 1 614 . 85 ALA CB C 20.3 0.20 1 615 . 85 ALA HB H 1.58 0.01 1 616 . 85 ALA C C 177.9 0.20 1 617 . 86 GLU N N 115.0 0.25 1 618 . 86 GLU H H 8.65 0.01 1 619 . 86 GLU CA C 60.0 0.20 1 620 . 86 GLU HA H 3.97 0.01 1 621 . 86 GLU CB C 29.0 0.20 1 622 . 86 GLU HB2 H 2.09 0.01 2 623 . 86 GLU HB3 H 2.05 0.01 2 624 . 86 GLU HG2 H 2.41 0.01 2 625 . 86 GLU HG3 H 2.28 0.01 2 626 . 86 GLU C C 178.5 0.20 1 627 . 87 GLU N N 116.0 0.25 1 628 . 87 GLU H H 8.80 0.01 1 629 . 87 GLU CA C 59.9 0.20 1 630 . 87 GLU HA H 3.89 0.01 1 631 . 87 GLU CB C 28.6 0.20 1 632 . 87 GLU HB2 H 2.06 0.01 2 633 . 87 GLU HB3 H 1.95 0.01 2 634 . 87 GLU HG2 H 2.47 0.01 2 635 . 87 GLU HG3 H 2.29 0.01 2 636 . 87 GLU C C 179.4 0.20 1 637 . 88 TYR N N 116.7 0.25 1 638 . 88 TYR H H 7.84 0.01 1 639 . 88 TYR CA C 61.3 0.20 1 640 . 88 TYR HA H 4.16 0.01 1 641 . 88 TYR CB C 38.5 0.20 1 642 . 88 TYR HB2 H 3.16 0.01 2 643 . 88 TYR HB3 H 3.04 0.01 2 644 . 88 TYR C C 182.4 0.20 1 645 . 89 ALA N N 115.4 0.25 1 646 . 89 ALA H H 7.91 0.01 1 647 . 89 ALA CA C 53.8 0.20 1 648 . 89 ALA HA H 3.71 0.01 1 649 . 89 ALA CB C 20.0 0.20 1 650 . 89 ALA HB H 1.69 0.01 1 651 . 89 ALA C C 177.2 0.20 1 652 . 90 GLN N N 108.9 0.25 1 653 . 90 GLN H H 7.49 0.01 1 654 . 90 GLN CA C 55.4 0.20 1 655 . 90 GLN HA H 4.21 0.01 1 656 . 90 GLN CB C 28.7 0.20 1 657 . 90 GLN HB2 H 2.20 0.01 2 658 . 90 GLN HB3 H 2.08 0.01 2 659 . 90 GLN HG2 H 2.56 0.01 2 660 . 90 GLN HG3 H 2.50 0.01 2 661 . 90 GLN C C 176.8 0.20 1 662 . 91 GLN N N 116.3 0.25 1 663 . 91 GLN H H 7.16 0.01 1 664 . 91 GLN CA C 56.6 0.20 1 665 . 91 GLN HA H 4.12 0.01 1 666 . 91 GLN CB C 31.2 0.20 1 667 . 91 GLN HB2 H 2.22 0.01 2 668 . 91 GLN HB3 H 1.79 0.01 2 669 . 91 GLN HG2 H 2.99 0.01 2 670 . 91 GLN C C 177.7 0.20 1 671 . 92 ASP N N 123.5 0.25 1 672 . 92 ASP H H 8.88 0.01 1 673 . 92 ASP CA C 58.1 0.20 1 674 . 92 ASP HA H 4.29 0.01 1 675 . 92 ASP CB C 40.8 0.20 1 676 . 92 ASP HB2 H 2.76 0.01 2 677 . 92 ASP HB3 H 2.62 0.01 2 678 . 92 ASP C C 178.5 0.20 1 679 . 93 VAL N N 112.0 0.25 1 680 . 93 VAL H H 8.52 0.01 1 681 . 93 VAL CA C 64.8 0.20 1 682 . 93 VAL HA H 3.87 0.01 1 683 . 93 VAL CB C 30.6 0.20 1 684 . 93 VAL HB H 2.11 0.01 1 685 . 93 VAL HG1 H 0.90 0.01 2 686 . 93 VAL HG2 H 0.81 0.01 2 687 . 93 VAL C C 177.1 0.20 1 688 . 94 VAL N N 122.2 0.25 1 689 . 94 VAL H H 6.47 0.01 1 690 . 94 VAL CA C 66.2 0.20 1 691 . 94 VAL HA H 3.27 0.01 1 692 . 94 VAL CB C 30.9 0.20 1 693 . 94 VAL HB H 1.94 0.01 1 694 . 94 VAL HG1 H 0.51 0.01 2 695 . 94 VAL HG2 H 0.12 0.01 2 696 . 94 VAL C C 177.2 0.20 1 697 . 95 ARG N N 115.4 0.25 1 698 . 95 ARG H H 7.48 0.01 1 699 . 95 ARG CA C 59.6 0.20 1 700 . 95 ARG HA H 4.00 0.01 1 701 . 95 ARG CB C 29.5 0.20 1 702 . 95 ARG HB2 H 1.94 0.01 2 703 . 95 ARG HB3 H 1.80 0.01 2 704 . 95 ARG HG2 H 1.60 0.01 2 705 . 95 ARG HD2 H 3.15 0.01 2 706 . 95 ARG HD3 H 3.08 0.01 2 707 . 95 ARG C C 180.1 0.20 1 708 . 96 ARG N N 112.9 0.25 1 709 . 96 ARG H H 8.52 0.01 1 710 . 96 ARG CA C 58.1 0.20 1 711 . 96 ARG HA H 4.30 0.01 1 712 . 96 ARG CB C 30.1 0.20 1 713 . 96 ARG HB2 H 1.91 0.01 2 714 . 96 ARG HG2 H 1.78 0.01 2 715 . 96 ARG C C 178.2 0.20 1 716 . 97 SER N N 111.2 0.25 1 717 . 97 SER H H 7.44 0.01 1 718 . 97 SER CA C 60.1 0.20 1 719 . 97 SER HA H 4.63 0.01 1 720 . 97 SER CB C 64.2 0.20 1 721 . 97 SER HB2 H 4.02 0.01 2 722 . 97 SER HB3 H 3.85 0.01 2 723 . 97 SER C C 173.3 0.20 1 724 . 98 TYR N N 120.9 0.25 1 725 . 98 TYR H H 7.55 0.01 1 726 . 98 TYR CA C 61.6 0.20 1 727 . 98 TYR HA H 4.00 0.01 1 728 . 98 TYR CB C 38.4 0.20 1 729 . 98 TYR HB2 H 3.33 0.01 2 730 . 98 TYR C C 177.1 0.20 1 731 . 99 GLY N N 116.1 0.25 1 732 . 99 GLY H H 9.95 0.01 1 733 . 99 GLY CA C 45.6 0.20 1 734 . 99 GLY HA2 H 4.38 0.01 2 735 . 99 GLY C C 174.3 0.20 1 736 . 100 LYS N N 118.8 0.25 1 737 . 100 LYS H H 8.52 0.01 1 738 . 100 LYS CA C 55.5 0.20 1 739 . 100 LYS HA H 4.61 0.01 1 740 . 100 LYS CB C 33.1 0.20 1 741 . 100 LYS HB2 H 2.24 0.01 2 742 . 100 LYS HB3 H 1.98 0.01 2 743 . 100 LYS HG2 H 1.65 0.01 2 744 . 100 LYS HD2 H 1.34 0.01 2 745 . 100 LYS HE2 H 3.08 0.01 2 746 . 100 LYS HE3 H 2.90 0.01 2 747 . 100 LYS C C 175.3 0.20 1 748 . 101 ALA N N 120.3 0.25 1 749 . 101 ALA H H 8.21 0.01 1 750 . 101 ALA CA C 51.5 0.20 1 751 . 101 ALA HA H 5.35 0.01 1 752 . 101 ALA CB C 20.2 0.20 1 753 . 101 ALA HB H 1.43 0.01 1 754 . 101 ALA C C 177.7 0.20 1 755 . 102 PHE N N 117.6 0.25 1 756 . 102 PHE H H 9.52 0.01 1 757 . 102 PHE CA C 57.0 0.20 1 758 . 102 PHE HA H 4.71 0.01 1 759 . 102 PHE CB C 43.7 0.20 1 760 . 102 PHE HB2 H 3.12 0.01 2 761 . 102 PHE HB3 H 2.51 0.01 2 762 . 102 PHE HD1 H 7.82 0.01 3 763 . 102 PHE C C 174.4 0.20 1 764 . 103 LYS N N 117.1 0.25 1 765 . 103 LYS H H 8.69 0.01 1 766 . 103 LYS CA C 54.9 0.20 1 767 . 103 LYS HA H 5.06 0.01 1 768 . 103 LYS CB C 32.8 0.20 1 769 . 103 LYS HB2 H 1.72 0.01 2 770 . 103 LYS HB3 H 1.59 0.01 2 771 . 103 LYS HG2 H 1.44 0.01 2 772 . 103 LYS HD2 H 1.24 0.01 2 773 . 103 LYS HE2 H 2.92 0.01 2 774 . 103 LYS C C 177.0 0.20 1 775 . 104 LEU N N 126.4 0.25 1 776 . 104 LEU H H 9.24 0.01 1 777 . 104 LEU CA C 52.9 0.20 1 778 . 104 LEU HA H 4.71 0.01 1 779 . 104 LEU CB C 42.6 0.20 1 780 . 104 LEU HB2 H 1.02 0.01 2 781 . 104 LEU HB3 H 0.78 0.01 2 782 . 104 LEU HG H 0.61 0.01 1 783 . 104 LEU HD1 H 0.25 0.01 2 784 . 104 LEU HD2 H -0.26 0.01 2 785 . 104 LEU C C 175.4 0.20 1 786 . 105 SER N N 115.0 0.25 1 787 . 105 SER H H 8.16 0.01 1 788 . 105 SER CA C 57.5 0.20 1 789 . 105 SER HA H 5.00 0.01 1 790 . 105 SER CB C 64.5 0.20 1 791 . 105 SER HB2 H 3.79 0.01 2 792 . 105 SER HB3 H 3.65 0.01 2 793 . 105 SER C C 173.1 0.20 1 794 . 106 ILE N N 124.3 0.25 1 795 . 106 ILE H H 9.11 0.01 1 796 . 106 ILE CA C 58.6 0.20 1 797 . 106 ILE HA H 5.07 0.01 1 798 . 106 ILE CB C 38.7 0.20 1 799 . 106 ILE HB H 1.95 0.01 1 800 . 106 ILE HG2 H 0.91 0.01 1 801 . 106 ILE HD1 H 0.62 0.01 1 802 . 106 ILE C C 176.2 0.20 1 803 . 107 SER N N 114.6 0.25 1 804 . 107 SER H H 7.95 0.01 1 805 . 107 SER CA C 58.0 0.20 1 806 . 107 SER HA H 4.68 0.01 1 807 . 107 SER CB C 65.3 0.20 1 808 . 107 SER HB2 H 3.91 0.01 2 809 . 107 SER HB3 H 3.46 0.01 2 810 . 107 SER C C 175.2 0.20 1 811 . 108 ALA N N 119.9 0.25 1 812 . 108 ALA H H 7.47 0.01 1 813 . 108 ALA CA C 52.1 0.20 1 814 . 108 ALA HA H 5.28 0.01 1 815 . 108 ALA CB C 22.1 0.20 1 816 . 108 ALA HB H 1.59 0.01 1 817 . 108 ALA C C 175.9 0.20 1 818 . 109 LEU N N 117.3 0.25 1 819 . 109 LEU H H 8.55 0.01 1 820 . 109 LEU CA C 53.3 0.20 1 821 . 109 LEU HA H 5.33 0.01 1 822 . 109 LEU CB C 43.6 0.20 1 823 . 109 LEU HB2 H 1.42 0.01 2 824 . 109 LEU HB3 H 0.78 0.01 2 825 . 109 LEU HD1 H 0.58 0.01 2 826 . 109 LEU HD2 H 0.49 0.01 2 827 . 109 LEU C C 174.8 0.20 1 828 . 110 PHE N N 115.4 0.25 1 829 . 110 PHE H H 8.95 0.01 1 830 . 110 PHE CA C 56.2 0.20 1 831 . 110 PHE HA H 6.01 0.01 1 832 . 110 PHE CB C 43.0 0.20 1 833 . 110 PHE HB2 H 3.31 0.01 2 834 . 110 PHE HB3 H 2.85 0.01 2 835 . 110 PHE HD1 H 6.82 0.01 3 836 . 110 PHE HE1 H 6.92 0.01 3 837 . 110 PHE C C 173.2 0.20 1 838 . 111 VAL N N 117.1 0.25 1 839 . 111 VAL H H 9.25 0.01 1 840 . 111 VAL CA C 60.8 0.20 1 841 . 111 VAL HA H 5.28 0.01 1 842 . 111 VAL CB C 37.8 0.20 1 843 . 111 VAL HB H 2.15 0.01 1 844 . 111 VAL HG1 H 1.23 0.01 2 845 . 111 VAL HG2 H 0.96 0.01 2 846 . 111 VAL C C 174.4 0.20 1 847 . 112 THR N N 117.1 0.25 1 848 . 112 THR H H 9.90 0.01 1 849 . 112 THR CA C 59.3 0.20 1 850 . 112 THR HA H 5.70 0.01 1 851 . 112 THR CB C 69.4 0.20 1 852 . 112 THR HB H 5.02 0.01 1 853 . 112 THR HG2 H 1.51 0.01 1 854 . 113 PRO CA C 64.2 0.20 1 855 . 113 PRO CB C 31.5 0.20 1 856 . 113 PRO C C 177.7 0.20 1 857 . 114 LYS N N 112.0 0.25 1 858 . 114 LYS H H 8.75 0.01 1 859 . 114 LYS CA C 57.9 0.20 1 860 . 114 LYS HA H 4.32 0.01 1 861 . 114 LYS CB C 34.9 0.20 1 862 . 114 LYS HB2 H 1.51 0.01 2 863 . 114 LYS HG2 H 1.08 0.01 2 864 . 114 LYS C C 176.3 0.20 1 865 . 115 THR N N 107.6 0.25 1 866 . 115 THR H H 8.18 0.01 1 867 . 115 THR CA C 61.9 0.20 1 868 . 115 THR HA H 5.04 0.01 1 869 . 115 THR CB C 73.3 0.20 1 870 . 115 THR HB H 4.31 0.01 1 871 . 115 THR HG2 H 1.09 0.01 1 872 . 115 THR C C 177.3 0.20 1 873 . 116 ALA N N 115.4 0.25 1 874 . 116 ALA H H 7.91 0.01 1 875 . 116 ALA CA C 49.0 0.20 1 876 . 116 ALA HA H 5.02 0.01 1 877 . 116 ALA CB C 19.8 0.20 1 878 . 116 ALA HB H 0.41 0.01 1 879 . 116 ALA C C 177.6 0.20 1 880 . 117 GLY N N 104.8 0.25 1 881 . 117 GLY H H 7.85 0.01 1 882 . 117 GLY CA C 45.1 0.20 1 883 . 117 GLY HA2 H 4.62 0.01 2 884 . 117 GLY HA3 H 3.08 0.01 2 885 . 117 GLY C C 182.1 0.20 1 886 . 118 ALA N N 117.1 0.25 1 887 . 118 ALA H H 8.78 0.01 1 888 . 118 ALA CA C 49.3 0.20 1 889 . 118 ALA HA H 5.35 0.01 1 890 . 118 ALA CB C 20.8 0.20 1 891 . 118 ALA HB H 0.78 0.01 1 892 . 118 ALA C C 176.9 0.20 1 893 . 119 GLN N N 122.6 0.25 1 894 . 119 GLN H H 9.18 0.01 1 895 . 119 GLN CA C 56.4 0.20 1 896 . 119 GLN HA H 4.42 0.01 1 897 . 119 GLN CB C 29.1 0.20 1 898 . 119 GLN HB2 H 1.81 0.01 2 899 . 119 GLN HG2 H 2.11 0.01 2 900 . 119 GLN C C 174.1 0.20 1 901 . 120 VAL N N 126.7 0.25 1 902 . 120 VAL H H 7.75 0.01 1 903 . 120 VAL CA C 60.4 0.20 1 904 . 120 VAL HA H 4.57 0.01 1 905 . 120 VAL CB C 33.1 0.20 1 906 . 120 VAL HB H 1.45 0.01 1 907 . 120 VAL HG1 H 0.71 0.01 2 908 . 120 VAL HG2 H 0.60 0.01 2 909 . 120 VAL C C 174.4 0.20 1 910 . 121 VAL N N 123.7 0.25 1 911 . 121 VAL H H 8.43 0.01 1 912 . 121 VAL CA C 60.3 0.20 1 913 . 121 VAL HA H 4.25 0.01 1 914 . 121 VAL CB C 31.7 0.20 1 915 . 121 VAL HB H 1.82 0.01 1 916 . 121 VAL HG1 H 0.82 0.01 2 917 . 121 VAL HG2 H 0.61 0.01 2 918 . 121 VAL C C 176.7 0.20 1 919 . 122 LEU N N 126.0 0.25 1 920 . 122 LEU H H 8.73 0.01 1 921 . 122 LEU CA C 54.7 0.20 1 922 . 122 LEU HA H 4.08 0.01 1 923 . 122 LEU CB C 41.5 0.20 1 924 . 122 LEU HB2 H 1.34 0.01 2 925 . 122 LEU HB3 H 0.80 0.01 2 926 . 122 LEU HD1 H 0.20 0.01 2 927 . 122 LEU C C 176.5 0.20 1 928 . 123 ASN N N 115.6 0.25 1 929 . 123 ASN H H 7.32 0.01 1 930 . 123 ASN CA C 50.9 0.20 1 931 . 123 ASN HA H 4.79 0.01 1 932 . 123 ASN CB C 38.6 0.20 1 933 . 123 ASN HB2 H 3.45 0.01 2 934 . 123 ASN HB3 H 2.95 0.01 2 935 . 123 ASN C C 175.3 0.20 1 936 . 124 GLU N N 114.8 0.25 1 937 . 124 GLU H H 8.56 0.01 1 938 . 124 GLU CA C 60.6 0.20 1 939 . 124 GLU HA H 3.94 0.01 1 940 . 124 GLU CB C 29.2 0.20 1 941 . 124 GLU HB2 H 2.12 0.01 2 942 . 124 GLU HB3 H 2.06 0.01 2 943 . 124 GLU HG2 H 2.38 0.01 2 944 . 124 GLU HG3 H 2.32 0.01 2 945 . 124 GLU C C 179.1 0.20 1 946 . 125 GLN N N 115.6 0.25 1 947 . 125 GLN H H 8.05 0.01 1 948 . 125 GLN CA C 59.2 0.20 1 949 . 125 GLN HA H 4.17 0.01 1 950 . 125 GLN CB C 28.0 0.20 1 951 . 125 GLN HB2 H 2.28 0.01 2 952 . 125 GLN HG2 H 2.55 0.01 2 953 . 125 GLN C C 180.0 0.20 1 954 . 126 GLU N N 116.3 0.25 1 955 . 126 GLU H H 8.37 0.01 1 956 . 126 GLU CA C 58.5 0.20 1 957 . 126 GLU HA H 3.96 0.01 1 958 . 126 GLU CB C 27.5 0.20 1 959 . 126 GLU HB2 H 1.89 0.01 2 960 . 126 GLU HG2 H 2.27 0.01 2 961 . 126 GLU HG3 H 2.11 0.01 2 962 . 126 GLU C C 179.0 0.20 1 963 . 127 LEU N N 117.8 0.25 1 964 . 127 LEU H H 8.64 0.01 1 965 . 127 LEU CA C 57.5 0.20 1 966 . 127 LEU HA H 4.18 0.01 1 967 . 127 LEU CB C 41.4 0.20 1 968 . 127 LEU HB2 H 1.89 0.01 2 969 . 127 LEU HB3 H 1.62 0.01 2 970 . 127 LEU HD1 H 0.77 0.01 2 971 . 127 LEU C C 180.1 0.20 1 972 . 128 GLN N N 114.1 0.25 1 973 . 128 GLN H H 7.35 0.01 1 974 . 128 GLN CA C 58.1 0.20 1 975 . 128 GLN HA H 4.24 0.01 1 976 . 128 GLN CB C 28.5 0.20 1 977 . 128 GLN HB2 H 2.25 0.01 2 978 . 128 GLN HB3 H 2.19 0.01 2 979 . 128 GLN HG2 H 2.78 0.01 2 980 . 128 GLN HG3 H 2.54 0.01 2 981 . 128 GLN C C 177.2 0.20 1 982 . 129 LEU N N 113.3 0.25 1 983 . 129 LEU H H 7.58 0.01 1 984 . 129 LEU CA C 54.0 0.20 1 985 . 129 LEU HA H 4.10 0.01 1 986 . 129 LEU CB C 41.1 0.20 1 987 . 129 LEU HB2 H 1.95 0.01 2 988 . 129 LEU HB3 H 1.25 0.01 2 989 . 129 LEU HD1 H 0.15 0.01 2 990 . 129 LEU HD2 H 0.11 0.01 2 991 . 129 LEU C C 176.2 0.20 1 992 . 130 TRP N N 123.9 0.25 1 993 . 130 TRP H H 7.97 0.01 1 994 . 130 TRP CA C 54.3 0.20 1 995 . 130 TRP HA H 3.72 0.01 1 996 . 130 TRP CB C 31.4 0.20 1 997 . 130 TRP HB2 H 3.20 0.01 2 998 . 131 PRO CA C 62.6 0.20 1 999 . 131 PRO CB C 31.3 0.20 1 1000 . 131 PRO C C 176.6 0.20 1 1001 . 132 SER N N 114.8 0.25 1 1002 . 132 SER H H 8.68 0.01 1 1003 . 132 SER CA C 59.5 0.20 1 1004 . 132 SER HA H 4.50 0.01 1 1005 . 132 SER CB C 63.9 0.20 1 1006 . 132 SER HB2 H 4.06 0.01 2 1007 . 132 SER C C 175.1 0.20 1 1008 . 133 ASP N N 117.1 0.25 1 1009 . 133 ASP H H 8.35 0.01 1 1010 . 133 ASP CA C 54.1 0.20 1 1011 . 133 ASP HA H 4.63 0.01 1 1012 . 133 ASP CB C 40.3 0.20 1 1013 . 133 ASP HB2 H 2.82 0.01 2 1014 . 133 ASP HB3 H 2.67 0.01 2 1015 . 133 ASP C C 176.7 0.20 1 1016 . 134 LEU N N 118.0 0.25 1 1017 . 134 LEU H H 7.81 0.01 1 1018 . 134 LEU CA C 55.4 0.20 1 1019 . 134 LEU HA H 4.39 0.01 1 1020 . 134 LEU CB C 42.5 0.20 1 1021 . 134 LEU HB2 H 1.57 0.01 2 1022 . 134 LEU HD1 H 0.77 0.01 2 1023 . 134 LEU HD2 H 0.66 0.01 2 1024 . 134 LEU C C 177.3 0.20 1 1025 . 135 ASP N N 118.0 0.25 1 1026 . 135 ASP H H 8.22 0.01 1 1027 . 135 ASP CA C 54.8 0.20 1 1028 . 135 ASP HA H 4.74 0.01 1 1029 . 135 ASP CB C 41.5 0.20 1 1030 . 135 ASP HB2 H 2.84 0.01 2 1031 . 135 ASP HB3 H 2.78 0.01 2 1032 . 135 ASP C C 175.3 0.20 1 1033 . 136 LYS N N 118.4 0.25 1 1034 . 136 LYS H H 7.80 0.01 1 1035 . 136 LYS CA C 54.4 0.20 1 1036 . 136 LYS HA H 3.88 0.01 1 1037 . 136 LYS CB C 32.4 0.20 1 1038 . 136 LYS HB2 H 1.77 0.01 2 1039 . 136 LYS HG2 H 1.89 0.01 2 1040 . 137 PRO CA C 63.1 0.20 1 1041 . 137 PRO CB C 31.8 0.20 1 1042 . 137 PRO C C 177.0 0.20 1 1043 . 138 SER N N 113.1 0.25 1 1044 . 138 SER H H 8.39 0.01 1 1045 . 138 SER CA C 58.8 0.20 1 1046 . 138 SER HA H 4.53 0.01 1 1047 . 138 SER CB C 64.1 0.20 1 1048 . 138 SER HB2 H 4.01 0.01 2 1049 . 138 SER HB3 H 3.92 0.01 2 1050 . 138 SER C C 175.1 0.20 1 1051 . 139 SER N N 113.3 0.25 1 1052 . 139 SER H H 8.26 0.01 1 1053 . 139 SER CA C 58.7 0.20 1 1054 . 139 SER HA H 4.48 0.01 1 1055 . 139 SER CB C 63.9 0.20 1 1056 . 139 SER HB2 H 3.94 0.01 2 1057 . 139 SER C C 175.1 0.20 1 1058 . 140 SER N N 113.3 0.25 1 1059 . 140 SER H H 8.19 0.01 1 1060 . 140 SER CA C 59.0 0.20 1 1061 . 140 SER HA H 4.50 0.01 1 1062 . 140 SER CB C 63.9 0.20 1 1063 . 140 SER HB2 H 3.96 0.01 2 1064 . 140 SER C C 174.5 0.20 1 1065 . 141 GLU N N 118.4 0.25 1 1066 . 141 GLU H H 7.99 0.01 1 1067 . 141 GLU CA C 56.5 0.20 1 1068 . 141 GLU HA H 4.38 0.01 1 1069 . 141 GLU CB C 30.1 0.20 1 1070 . 141 GLU HB2 H 1.93 0.01 2 1071 . 141 GLU HG2 H 2.27 0.01 2 1072 . 141 GLU HG3 H 2.10 0.01 2 1073 . 141 GLU C C 176.3 0.20 1 1074 . 142 SER N N 113.3 0.25 1 1075 . 142 SER H H 8.08 0.01 1 1076 . 142 SER CA C 59.0 0.20 1 1077 . 142 SER HA H 4.46 0.01 1 1078 . 142 SER CB C 64.2 0.20 1 1079 . 142 SER HB2 H 3.96 0.01 2 1080 . 142 SER HB3 H 3.88 0.01 2 1081 . 142 SER C C 174.4 0.20 1 1082 . 143 LEU N N 122.2 0.25 1 1083 . 143 LEU H H 8.21 0.01 1 1084 . 143 LEU CA C 53.1 0.20 1 1085 . 143 LEU HA H 4.46 0.01 1 1086 . 143 LEU CB C 40.7 0.20 1 1087 . 143 LEU HB2 H 1.69 0.01 2 1088 . 143 LEU HD1 H 0.93 0.01 2 1089 . 143 LEU HD2 H 0.85 0.01 2 1090 . 145 PRO CA C 63.7 0.20 1 1091 . 145 PRO CB C 31.5 0.20 1 1092 . 145 PRO C C 176.8 0.20 1 1093 . 146 GLY N N 109.7 0.25 1 1094 . 146 GLY H H 8.75 0.01 1 1095 . 146 GLY CA C 44.0 0.20 1 1096 . 146 GLY HA2 H 4.58 0.01 2 1097 . 146 GLY C C 175.1 0.20 1 1098 . 147 SER N N 116.9 0.25 1 1099 . 147 SER H H 7.64 0.01 1 1100 . 147 SER CA C 63.1 0.20 1 1101 . 147 SER HA H 4.03 0.01 1 1102 . 147 SER HB2 H 3.84 0.01 2 1103 . 147 SER C C 179.0 0.20 1 1104 . 148 ARG N N 114.0 0.25 1 1105 . 148 ARG H H 8.48 0.01 1 1106 . 148 ARG CA C 56.3 0.20 1 1107 . 148 ARG HA H 4.00 0.01 1 1108 . 148 ARG CB C 32.0 0.20 1 1109 . 148 ARG HB2 H 2.22 0.01 2 1110 . 148 ARG HB3 H 2.06 0.01 2 1111 . 148 ARG HG2 H 1.83 0.01 2 1112 . 148 ARG HG3 H 1.64 0.01 2 1113 . 148 ARG C C 175.3 0.20 1 1114 . 149 ALA N N 122.2 0.25 1 1115 . 149 ALA H H 7.25 0.01 1 1116 . 149 ALA CA C 54.2 0.20 1 1117 . 149 ALA HA H 4.37 0.01 1 1118 . 149 ALA CB C 17.3 0.20 1 1119 . 149 ALA HB H 0.94 0.01 1 1120 . 149 ALA C C 175.6 0.20 1 1121 . 150 HIS N N 112.5 0.25 1 1122 . 150 HIS H H 7.60 0.01 1 1123 . 150 HIS CA C 55.7 0.20 1 1124 . 150 HIS HA H 4.82 0.01 1 1125 . 150 HIS CB C 31.8 0.20 1 1126 . 150 HIS HB2 H 2.92 0.01 2 1127 . 150 HIS HB3 H 2.63 0.01 2 1128 . 151 VAL N N 125.4 0.25 1 1129 . 151 VAL H H 9.84 0.01 1 1130 . 151 VAL CA C 60.5 0.20 1 1131 . 151 VAL HA H 4.51 0.01 1 1132 . 151 VAL CB C 35.2 0.20 1 1133 . 151 VAL HB H 1.28 0.01 1 1134 . 151 VAL HG1 H 0.87 0.01 2 1135 . 151 VAL C C 176.6 0.20 1 1136 . 152 THR N N 125.4 0.25 1 1137 . 152 THR H H 9.84 0.01 1 1138 . 152 THR CA C 65.2 0.20 1 1139 . 152 THR HA H 4.33 0.01 1 1140 . 152 THR CB C 68.4 0.20 1 1141 . 152 THR HB H 4.17 0.01 1 1142 . 152 THR HG2 H 1.28 0.01 1 1143 . 152 THR C C 173.6 0.20 1 1144 . 153 LEU N N 124.3 0.25 1 1145 . 153 LEU H H 9.11 0.01 1 1146 . 153 LEU CA C 54.7 0.20 1 1147 . 153 LEU HA H 4.32 0.01 1 1148 . 153 LEU CB C 41.8 0.20 1 1149 . 153 LEU HB2 H 1.28 0.01 2 1150 . 153 LEU HD1 H 0.81 0.01 2 1151 . 153 LEU HD2 H 0.72 0.01 2 1152 . 153 LEU C C 177.7 0.20 1 1153 . 154 GLY N N 104.2 0.25 1 1154 . 154 GLY H H 8.02 0.01 1 1155 . 154 GLY CA C 45.9 0.20 1 1156 . 154 GLY HA2 H 4.45 0.01 2 1157 . 154 GLY HA3 H 4.16 0.01 2 1158 . 154 GLY C C 183.0 0.20 1 1159 . 155 CYS N N 114.3 0.25 1 1160 . 155 CYS H H 8.50 0.01 1 1161 . 155 CYS CA C 57.5 0.20 1 1162 . 155 CYS HA H 5.32 0.01 1 1163 . 155 CYS CB C 32.5 0.20 1 1164 . 155 CYS HB2 H 3.20 0.01 2 1165 . 155 CYS HB3 H 2.77 0.01 2 1166 . 155 CYS C C 173.2 0.20 1 1167 . 156 ALA N N 122.2 0.25 1 1168 . 156 ALA H H 8.41 0.01 1 1169 . 156 ALA CA C 51.5 0.20 1 1170 . 156 ALA HA H 4.26 0.01 1 1171 . 156 ALA CB C 19.2 0.20 1 1172 . 156 ALA HB H 1.33 0.01 1 1173 . 156 ALA C C 177.0 0.20 1 1174 . 157 ALA N N 117.8 0.25 1 1175 . 157 ALA H H 7.98 0.01 1 1176 . 157 ALA CA C 54.6 0.20 1 1177 . 157 ALA HA H 3.92 0.01 1 1178 . 157 ALA CB C 18.3 0.20 1 1179 . 157 ALA HB H 1.35 0.01 1 1180 . 157 ALA C C 178.3 0.20 1 1181 . 158 ASP N N 112.2 0.25 1 1182 . 158 ASP H H 8.47 0.01 1 1183 . 158 ASP CA C 54.8 0.20 1 1184 . 158 ASP HA H 4.51 0.01 1 1185 . 158 ASP CB C 39.9 0.20 1 1186 . 158 ASP HB2 H 2.84 0.01 2 1187 . 158 ASP C C 175.5 0.20 1 1188 . 159 VAL N N 118.8 0.25 1 1189 . 159 VAL H H 7.66 0.01 1 1190 . 159 VAL CA C 62.1 0.20 1 1191 . 159 VAL HA H 4.16 0.01 1 1192 . 159 VAL CB C 33.5 0.20 1 1193 . 159 VAL HB H 2.21 0.01 1 1194 . 159 VAL HG1 H 1.05 0.01 2 1195 . 159 VAL C C 176.0 0.20 1 1196 . 160 GLN N N 123.3 0.25 1 1197 . 160 GLN H H 8.63 0.01 1 1198 . 160 GLN CA C 53.4 0.20 1 1199 . 160 GLN HA H 4.16 0.01 1 1200 . 160 GLN CB C 28.5 0.20 1 1201 . 160 GLN HB2 H 2.41 0.01 2 1202 . 160 GLN HB3 H 1.99 0.01 2 1203 . 160 GLN HG2 H 2.54 0.01 2 1204 . 160 GLN HG3 H 2.50 0.01 2 1205 . 161 PRO CA C 65.9 0.20 1 1206 . 161 PRO CB C 31.4 0.20 1 1207 . 162 VAL N N 115.0 0.25 1 1208 . 162 VAL H H 7.59 0.01 1 1209 . 162 VAL CA C 63.7 0.20 1 1210 . 162 VAL HA H 4.19 0.01 1 1211 . 162 VAL CB C 31.0 0.20 1 1212 . 162 VAL HB H 2.23 0.01 1 1213 . 162 VAL HG1 H 0.97 0.01 2 1214 . 162 VAL HG2 H 0.87 0.01 2 1215 . 162 VAL C C 176.6 0.20 1 1216 . 163 GLN N N 119.0 0.25 1 1217 . 163 GLN H H 8.30 0.01 1 1218 . 163 GLN CA C 56.9 0.20 1 1219 . 163 GLN HA H 3.79 0.01 1 1220 . 163 GLN CB C 28.4 0.20 1 1221 . 163 GLN HB2 H 2.25 0.01 2 1222 . 163 GLN HB3 H 2.19 0.01 2 1223 . 163 GLN HG2 H 2.48 0.01 2 1224 . 163 GLN HG3 H 2.43 0.01 2 1225 . 163 GLN C C 176.2 0.20 1 1226 . 164 THR N N 114.6 0.25 1 1227 . 164 THR H H 8.08 0.01 1 1228 . 164 THR CA C 64.7 0.20 1 1229 . 164 THR HA H 4.34 0.01 1 1230 . 164 THR CB C 67.3 0.20 1 1231 . 164 THR HB H 4.18 0.01 1 1232 . 164 THR HG2 H 1.28 0.01 1 1233 . 164 THR C C 177.2 0.20 1 1234 . 165 GLY N N 101.3 0.25 1 1235 . 165 GLY H H 6.97 0.01 1 1236 . 165 GLY CA C 47.0 0.20 1 1237 . 165 GLY HA2 H 3.93 0.01 2 1238 . 165 GLY HA3 H 3.30 0.01 2 1239 . 165 GLY C C 174.7 0.20 1 1240 . 166 LEU N N 118.6 0.25 1 1241 . 166 LEU H H 6.68 0.01 1 1242 . 166 LEU CA C 57.6 0.20 1 1243 . 166 LEU HA H 4.07 0.01 1 1244 . 166 LEU CB C 40.0 0.20 1 1245 . 166 LEU HB2 H 1.70 0.01 2 1246 . 166 LEU HG H 1.58 0.01 1 1247 . 166 LEU HD1 H 0.91 0.01 2 1248 . 166 LEU C C 180.0 0.20 1 1249 . 167 ASP N N 119.6 0.25 1 1250 . 167 ASP H H 8.64 0.01 1 1251 . 167 ASP CA C 57.2 0.20 1 1252 . 167 ASP HA H 4.34 0.01 1 1253 . 167 ASP CB C 40.5 0.20 1 1254 . 167 ASP HB2 H 3.07 0.01 2 1255 . 167 ASP HB3 H 2.36 0.01 2 1256 . 167 ASP C C 179.0 0.20 1 1257 . 168 LEU N N 117.8 0.25 1 1258 . 168 LEU H H 7.68 0.01 1 1259 . 168 LEU CA C 57.2 0.20 1 1260 . 168 LEU HA H 3.33 0.01 1 1261 . 168 LEU CB C 39.6 0.20 1 1262 . 168 LEU HB2 H 1.78 0.01 2 1263 . 168 LEU HB3 H 1.10 0.01 2 1264 . 168 LEU HD1 H 0.48 0.01 2 1265 . 168 LEU HD2 H 0.34 0.01 2 1266 . 168 LEU C C 178.0 0.20 1 1267 . 169 LEU N N 115.2 0.25 1 1268 . 169 LEU H H 7.84 0.01 1 1269 . 169 LEU CA C 58.2 0.20 1 1270 . 169 LEU HA H 3.75 0.01 1 1271 . 169 LEU CB C 41.1 0.20 1 1272 . 169 LEU HB2 H 1.39 0.01 2 1273 . 169 LEU HD1 H 0.91 0.01 2 1274 . 169 LEU HD2 H 0.77 0.01 2 1275 . 169 LEU C C 178.9 0.20 1 1276 . 170 GLU N N 115.4 0.25 1 1277 . 170 GLU H H 7.68 0.01 1 1278 . 170 GLU CA C 59.6 0.20 1 1279 . 170 GLU HA H 3.99 0.01 1 1280 . 170 GLU CB C 29.2 0.20 1 1281 . 170 GLU HB2 H 2.18 0.01 2 1282 . 170 GLU HG2 H 2.48 0.01 2 1283 . 170 GLU C C 180.4 0.20 1 1284 . 171 ILE N N 119.2 0.25 1 1285 . 171 ILE H H 7.76 0.01 1 1286 . 171 ILE CA C 66.0 0.20 1 1287 . 171 ILE HA H 3.43 0.01 1 1288 . 171 ILE CB C 37.7 0.20 1 1289 . 171 ILE HB H 1.80 0.01 1 1290 . 171 ILE HG2 H 0.65 0.01 1 1291 . 171 ILE HD1 H 0.49 0.01 1 1292 . 171 ILE C C 177.4 0.20 1 1293 . 172 LEU N N 116.1 0.25 1 1294 . 172 LEU H H 8.70 0.01 1 1295 . 172 LEU CA C 57.5 0.20 1 1296 . 172 LEU HA H 3.90 0.01 1 1297 . 172 LEU CB C 40.9 0.20 1 1298 . 172 LEU HB2 H 1.80 0.01 2 1299 . 172 LEU HB3 H 1.72 0.01 2 1300 . 172 LEU HD1 H 0.77 0.01 2 1301 . 172 LEU HD2 H 0.67 0.01 2 1302 . 172 LEU C C 180.4 0.20 1 1303 . 173 GLN N N 116.9 0.25 1 1304 . 173 GLN H H 8.49 0.01 1 1305 . 173 GLN CA C 58.8 0.20 1 1306 . 173 GLN HA H 3.99 0.01 1 1307 . 173 GLN CB C 28.1 0.20 1 1308 . 173 GLN HB2 H 2.23 0.01 2 1309 . 173 GLN HB3 H 2.10 0.01 2 1310 . 173 GLN HG2 H 2.49 0.01 2 1311 . 173 GLN HG3 H 2.40 0.01 2 1312 . 173 GLN C C 178.5 0.20 1 1313 . 174 GLN N N 117.8 0.25 1 1314 . 174 GLN H H 7.53 0.01 1 1315 . 174 GLN CA C 58.7 0.20 1 1316 . 174 GLN HA H 4.08 0.01 1 1317 . 174 GLN CB C 27.8 0.20 1 1318 . 174 GLN HB2 H 2.22 0.01 2 1319 . 174 GLN HG2 H 2.57 0.01 2 1320 . 174 GLN HG3 H 2.40 0.01 2 1321 . 174 GLN C C 178.9 0.20 1 1322 . 175 VAL N N 115.4 0.25 1 1323 . 175 VAL H H 8.03 0.01 1 1324 . 175 VAL CA C 65.0 0.20 1 1325 . 175 VAL HA H 3.75 0.01 1 1326 . 175 VAL CB C 31.5 0.20 1 1327 . 175 VAL HB H 2.02 0.01 1 1328 . 175 VAL HG1 H 0.88 0.01 2 1329 . 175 VAL HG2 H 0.80 0.01 2 1330 . 175 VAL C C 179.3 0.20 1 1331 . 176 LYS N N 119.2 0.25 1 1332 . 176 LYS H H 8.13 0.01 1 1333 . 176 LYS CA C 58.1 0.20 1 1334 . 176 LYS HA H 4.12 0.01 1 1335 . 176 LYS CB C 31.4 0.20 1 1336 . 176 LYS HB2 H 2.02 0.01 2 1337 . 176 LYS HB3 H 1.88 0.01 2 1338 . 176 LYS HG2 H 1.46 0.01 2 1339 . 176 LYS HE2 H 2.97 0.01 2 1340 . 176 LYS C C 178.1 0.20 1 1341 . 177 GLY N N 103.5 0.25 1 1342 . 177 GLY H H 7.76 0.01 1 1343 . 177 GLY CA C 45.5 0.20 1 1344 . 177 GLY HA2 H 4.18 0.01 2 1345 . 177 GLY HA3 H 3.88 0.01 2 1346 . 177 GLY C C 174.9 0.20 1 1347 . 178 GLY N N 104.8 0.25 1 1348 . 178 GLY H H 7.74 0.01 1 1349 . 178 GLY CA C 45.2 0.20 1 1350 . 178 GLY HA2 H 4.33 0.01 2 1351 . 178 GLY HA3 H 3.88 0.01 2 1352 . 178 GLY C C 174.5 0.20 1 1353 . 179 SER N N 114.1 0.25 1 1354 . 179 SER H H 7.82 0.01 1 1355 . 179 SER CA C 57.0 0.20 1 1356 . 179 SER HA H 4.70 0.01 1 1357 . 179 SER CB C 63.7 0.20 1 1358 . 179 SER HB2 H 3.85 0.01 2 1359 . 179 SER C C 173.9 0.20 1 1360 . 180 GLN N N 119.9 0.25 1 1361 . 180 GLN H H 8.29 0.01 1 1362 . 180 GLN CA C 56.1 0.20 1 1363 . 180 GLN HA H 4.11 0.01 1 1364 . 180 GLN CB C 29.0 0.20 1 1365 . 180 GLN HB2 H 1.90 0.01 2 1366 . 180 GLN HB3 H 1.84 0.01 2 1367 . 180 GLN HG2 H 2.18 0.01 2 1368 . 180 GLN C C 174.8 0.20 1 1369 . 181 GLY N N 102.0 0.25 1 1370 . 181 GLY H H 7.93 0.01 1 1371 . 181 GLY CA C 44.3 0.20 1 1372 . 181 GLY HA2 H 4.10 0.01 2 1373 . 181 GLY HA3 H 3.81 0.01 2 1374 . 181 GLY C C 173.5 0.20 1 1375 . 182 GLU N N 118.0 0.25 1 1376 . 182 GLU H H 8.18 0.01 1 1377 . 182 GLU CA C 55.1 0.20 1 1378 . 182 GLU HA H 4.55 0.01 1 1379 . 182 GLU CB C 31.1 0.20 1 1380 . 182 GLU HB2 H 1.96 0.01 2 1381 . 182 GLU HG2 H 2.31 0.01 2 1382 . 182 GLU HG3 H 2.18 0.01 2 1383 . 182 GLU C C 176.1 0.20 1 1384 . 183 GLU N N 125.6 0.25 1 1385 . 183 GLU H H 9.00 0.01 1 1386 . 183 GLU CA C 56.4 0.20 1 1387 . 183 GLU HA H 4.11 0.01 1 1388 . 183 GLU CB C 29.0 0.20 1 1389 . 183 GLU HB2 H 2.03 0.01 2 1390 . 183 GLU HB3 H 1.96 0.01 2 1391 . 183 GLU HG2 H 2.16 0.01 2 1392 . 183 GLU C C 177.0 0.20 1 1393 . 184 VAL N N 118.6 0.25 1 1394 . 184 VAL H H 8.54 0.01 1 1395 . 184 VAL CA C 61.4 0.20 1 1396 . 184 VAL HA H 4.61 0.01 1 1397 . 184 VAL CB C 31.8 0.20 1 1398 . 184 VAL HB H 2.41 0.01 1 1399 . 184 VAL HG1 H 1.04 0.01 2 1400 . 184 VAL HG2 H 0.85 0.01 2 1401 . 184 VAL C C 175.9 0.20 1 1402 . 185 GLY N N 104.6 0.25 1 1403 . 185 GLY H H 7.44 0.01 1 1404 . 185 GLY CA C 45.0 0.20 1 1405 . 185 GLY HA2 H 4.35 0.01 2 1406 . 185 GLY HA3 H 4.18 0.01 2 1407 . 185 GLY C C 171.1 0.20 1 1408 . 186 GLU N N 116.9 0.25 1 1409 . 186 GLU H H 8.50 0.01 1 1410 . 186 GLU CA C 55.8 0.20 1 1411 . 186 GLU HA H 4.78 0.01 1 1412 . 186 GLU CB C 31.3 0.20 1 1413 . 186 GLU HB2 H 2.03 0.01 2 1414 . 186 GLU HG2 H 2.23 0.01 2 1415 . 186 GLU C C 175.9 0.20 1 1416 . 187 LEU N N 122.8 0.25 1 1417 . 187 LEU H H 8.70 0.01 1 1418 . 187 LEU CA C 52.9 0.20 1 1419 . 187 LEU HA H 4.90 0.01 1 1420 . 187 LEU CB C 41.1 0.20 1 1421 . 187 LEU HB2 H 1.77 0.01 2 1422 . 187 LEU HD1 H 1.10 0.01 2 1423 . 187 LEU HD2 H 0.60 0.01 2 1424 . 188 PRO CA C 66.4 0.20 1 1425 . 188 PRO CB C 31.3 0.20 1 1426 . 188 PRO C C 178.3 0.20 1 1427 . 189 ARG N N 106.5 0.25 1 1428 . 189 ARG H H 7.79 0.01 1 1429 . 189 ARG CA C 56.2 0.20 1 1430 . 189 ARG HA H 4.30 0.01 1 1431 . 189 ARG CB C 30.9 0.20 1 1432 . 189 ARG HB2 H 2.02 0.01 2 1433 . 189 ARG HB3 H 1.78 0.01 2 1434 . 189 ARG HG2 H 1.49 0.01 2 1435 . 189 ARG HD2 H 3.21 0.01 2 1436 . 189 ARG HD3 H 3.09 0.01 2 1437 . 189 ARG C C 177.5 0.20 1 1438 . 190 GLY N N 106.4 0.25 1 1439 . 190 GLY H H 7.95 0.01 1 1440 . 190 GLY CA C 46.1 0.20 1 1441 . 190 GLY HA2 H 4.84 0.01 2 1442 . 190 GLY HA3 H 4.06 0.01 2 1443 . 190 GLY C C 171.0 0.20 1 1444 . 191 LYS N N 116.5 0.25 1 1445 . 191 LYS H H 7.79 0.01 1 1446 . 191 LYS CA C 56.5 0.20 1 1447 . 191 LYS HA H 4.44 0.01 1 1448 . 191 LYS CB C 35.4 0.20 1 1449 . 191 LYS HB2 H 1.46 0.01 2 1450 . 191 LYS HB3 H 1.39 0.01 2 1451 . 191 LYS HG2 H 1.66 0.01 2 1452 . 191 LYS HG3 H 1.59 0.01 2 1453 . 191 LYS C C 173.8 0.20 1 1454 . 192 LEU N N 121.4 0.25 1 1455 . 192 LEU H H 8.35 0.01 1 1456 . 192 LEU CA C 53.4 0.20 1 1457 . 192 LEU HA H 5.11 0.01 1 1458 . 192 LEU CB C 44.7 0.20 1 1459 . 192 LEU HB2 H 1.20 0.01 2 1460 . 192 LEU HB3 H 1.03 0.01 2 1461 . 192 LEU HD1 H 0.84 0.01 2 1462 . 192 LEU HD2 H 0.42 0.01 2 1463 . 192 LEU C C 174.3 0.20 1 1464 . 193 TYR N N 121.6 0.25 1 1465 . 193 TYR H H 9.55 0.01 1 1466 . 193 TYR CA C 57.0 0.20 1 1467 . 193 TYR HA H 5.22 0.01 1 1468 . 193 TYR CB C 41.2 0.20 1 1469 . 193 TYR HB2 H 2.82 0.01 2 1470 . 193 TYR HD1 H 6.93 0.01 3 1471 . 193 TYR HE1 H 6.78 0.01 3 1472 . 193 TYR C C 175.5 0.20 1 1473 . 194 SER N N 113.1 0.25 1 1474 . 194 SER H H 8.93 0.01 1 1475 . 194 SER CA C 55.2 0.20 1 1476 . 194 SER HA H 3.79 0.01 1 1477 . 194 SER CB C 63.5 0.20 1 1478 . 194 SER HB2 H 3.65 0.01 2 1479 . 194 SER C C 175.6 0.20 1 1480 . 195 LEU N N 125.4 0.25 1 1481 . 195 LEU H H 7.80 0.01 1 1482 . 195 LEU CA C 55.4 0.20 1 1483 . 195 LEU HA H 4.35 0.01 1 1484 . 195 LEU CB C 41.8 0.20 1 1485 . 195 LEU HB2 H 1.44 0.01 2 1486 . 195 LEU HD1 H 0.76 0.01 2 1487 . 195 LEU HD2 H 0.68 0.01 2 1488 . 195 LEU C C 177.3 0.20 1 1489 . 196 GLY N N 107.6 0.25 1 1490 . 196 GLY H H 8.18 0.01 1 1491 . 196 GLY CA C 43.6 0.20 1 1492 . 196 GLY HA2 H 4.34 0.01 2 1493 . 196 GLY HA3 H 3.64 0.01 2 1494 . 196 GLY C C 174.4 0.20 1 1495 . 197 LYS N N 115.2 0.25 1 1496 . 197 LYS H H 9.14 0.01 1 1497 . 197 LYS CA C 56.9 0.20 1 1498 . 197 LYS HA H 3.56 0.01 1 1499 . 197 LYS CB C 29.7 0.20 1 1500 . 197 LYS HB2 H 1.93 0.01 2 1501 . 197 LYS HB3 H 1.75 0.01 2 1502 . 197 LYS HG2 H 1.70 0.01 2 1503 . 197 LYS HG3 H 1.62 0.01 2 1504 . 197 LYS C C 175.9 0.20 1 1505 . 198 GLY N N 102.5 0.25 1 1506 . 198 GLY H H 8.43 0.01 1 1507 . 198 GLY CA C 45.9 0.20 1 1508 . 198 GLY HA2 H 4.54 0.01 2 1509 . 198 GLY HA3 H 4.07 0.01 2 1510 . 198 GLY C C 173.6 0.20 1 1511 . 199 ARG N N 112.4 0.25 1 1512 . 199 ARG H H 6.94 0.01 1 1513 . 199 ARG CA C 55.4 0.20 1 1514 . 199 ARG HA H 5.74 0.01 1 1515 . 199 ARG CB C 31.3 0.20 1 1516 . 199 ARG HB2 H 2.00 0.01 2 1517 . 199 ARG HB3 H 1.80 0.01 2 1518 . 199 ARG HG2 H 1.52 0.01 2 1519 . 199 ARG C C 177.1 0.20 1 1520 . 200 TRP N N 123.1 0.25 1 1521 . 200 TRP H H 9.71 0.01 1 1522 . 200 TRP CA C 56.9 0.20 1 1523 . 200 TRP HA H 5.31 0.01 1 1524 . 200 TRP CB C 34.4 0.20 1 1525 . 200 TRP HB2 H 3.36 0.01 2 1526 . 200 TRP HB3 H 3.06 0.01 2 1527 . 200 TRP C C 175.1 0.20 1 1528 . 201 MET N N 118.2 0.25 1 1529 . 201 MET H H 9.12 0.01 1 1530 . 201 MET CA C 54.9 0.20 1 1531 . 201 MET HA H 5.49 0.01 1 1532 . 201 MET CB C 38.6 0.20 1 1533 . 201 MET HB2 H 2.12 0.01 2 1534 . 201 MET HB3 H 1.96 0.01 2 1535 . 201 MET HG2 H 2.85 0.01 2 1536 . 201 MET HG3 H 2.39 0.01 2 1537 . 201 MET HE H 1.79 0.01 1 1538 . 201 MET C C 172.8 0.20 1 1539 . 202 LEU N N 127.3 0.25 1 1540 . 202 LEU H H 9.47 0.01 1 1541 . 202 LEU CA C 52.9 0.20 1 1542 . 202 LEU HA H 5.27 0.01 1 1543 . 202 LEU CB C 43.6 0.20 1 1544 . 202 LEU HB2 H 1.21 0.01 2 1545 . 202 LEU HB3 H 0.93 0.01 2 1546 . 202 LEU HD1 H 0.59 0.01 2 1547 . 202 LEU HD2 H 0.50 0.01 2 1548 . 202 LEU C C 175.7 0.20 1 1549 . 203 SER N N 120.5 0.25 1 1550 . 203 SER H H 9.10 0.01 1 1551 . 203 SER CA C 57.3 0.20 1 1552 . 203 SER HA H 5.30 0.01 1 1553 . 203 SER CB C 63.9 0.20 1 1554 . 203 SER HB2 H 4.15 0.01 2 1555 . 203 SER HB3 H 3.87 0.01 2 1556 . 203 SER C C 175.3 0.20 1 1557 . 204 LEU N N 125.2 0.25 1 1558 . 204 LEU H H 7.74 0.01 1 1559 . 204 LEU CA C 55.7 0.20 1 1560 . 204 LEU HA H 4.33 0.01 1 1561 . 204 LEU CB C 40.4 0.20 1 1562 . 204 LEU HB2 H 1.58 0.01 2 1563 . 204 LEU HB3 H 1.44 0.01 2 1564 . 204 LEU HD1 H 0.80 0.01 2 1565 . 204 LEU HD2 H 0.73 0.01 2 1566 . 204 LEU C C 177.9 0.20 1 1567 . 205 ALA N N 124.6 0.25 1 1568 . 205 ALA H H 8.67 0.01 1 1569 . 205 ALA CA C 54.5 0.20 1 1570 . 205 ALA HA H 4.15 0.01 1 1571 . 205 ALA CB C 18.4 0.20 1 1572 . 205 ALA HB H 1.47 0.01 1 1573 . 205 ALA C C 178.1 0.20 1 1574 . 206 LYS N N 114.6 0.25 1 1575 . 206 LYS H H 7.93 0.01 1 1576 . 206 LYS CA C 54.2 0.20 1 1577 . 206 LYS HA H 4.53 0.01 1 1578 . 206 LYS CB C 33.8 0.20 1 1579 . 206 LYS HB2 H 1.76 0.01 2 1580 . 206 LYS HB3 H 1.65 0.01 2 1581 . 206 LYS HG2 H 1.46 0.01 2 1582 . 206 LYS C C 175.4 0.20 1 1583 . 207 LYS N N 120.3 0.25 1 1584 . 207 LYS H H 8.37 0.01 1 1585 . 207 LYS CA C 57.5 0.20 1 1586 . 207 LYS HA H 4.15 0.01 1 1587 . 207 LYS CB C 31.5 0.20 1 1588 . 207 LYS HB2 H 1.65 0.01 2 1589 . 207 LYS HB3 H 1.55 0.01 2 1590 . 207 LYS HG2 H 1.43 0.01 2 1591 . 207 LYS HG3 H 1.36 0.01 2 1592 . 207 LYS HE2 H 2.97 0.01 2 1593 . 207 LYS C C 177.0 0.20 1 1594 . 208 MET N N 119.5 0.25 1 1595 . 208 MET H H 8.17 0.01 1 1596 . 208 MET CA C 54.9 0.20 1 1597 . 208 MET HA H 4.54 0.01 1 1598 . 208 MET CB C 35.3 0.20 1 1599 . 208 MET HB2 H 1.91 0.01 2 1600 . 208 MET HG2 H 2.54 0.01 2 1601 . 208 MET HG3 H 2.32 0.01 2 1602 . 208 MET HE H 1.89 0.01 1 1603 . 208 MET C C 174.8 0.20 1 1604 . 209 GLU N N 122.6 0.25 1 1605 . 209 GLU H H 8.58 0.01 1 1606 . 209 GLU CA C 55.1 0.20 1 1607 . 209 GLU HA H 5.25 0.01 1 1608 . 209 GLU CB C 31.5 0.20 1 1609 . 209 GLU HB2 H 2.13 0.01 2 1610 . 209 GLU HB3 H 1.93 0.01 2 1611 . 209 GLU HG2 H 1.80 0.01 2 1612 . 209 GLU C C 176.6 0.20 1 1613 . 210 VAL N N 114.1 0.25 1 1614 . 210 VAL H H 8.87 0.01 1 1615 . 210 VAL CA C 58.4 0.20 1 1616 . 210 VAL HA H 4.78 0.01 1 1617 . 210 VAL CB C 34.6 0.20 1 1618 . 210 VAL HB H 1.94 0.01 1 1619 . 210 VAL HG1 H 0.88 0.01 2 1620 . 210 VAL HG2 H 0.78 0.01 2 1621 . 210 VAL C C 173.8 0.20 1 1622 . 211 LYS N N 121.6 0.25 1 1623 . 211 LYS H H 8.47 0.01 1 1624 . 211 LYS CA C 55.8 0.20 1 1625 . 211 LYS HA H 4.95 0.01 1 1626 . 211 LYS CB C 33.7 0.20 1 1627 . 211 LYS HB2 H 1.97 0.01 2 1628 . 211 LYS HB3 H 1.84 0.01 2 1629 . 211 LYS HG2 H 1.54 0.01 2 1630 . 211 LYS HG3 H 1.36 0.01 2 1631 . 211 LYS C C 175.9 0.20 1 1632 . 212 ALA N N 122.8 0.25 1 1633 . 212 ALA H H 9.11 0.01 1 1634 . 212 ALA CA C 50.9 0.20 1 1635 . 212 ALA HA H 5.34 0.01 1 1636 . 212 ALA CB C 24.6 0.20 1 1637 . 212 ALA HB H 1.30 0.01 1 1638 . 212 ALA C C 175.1 0.20 1 1639 . 213 ILE N N 119.1 0.25 1 1640 . 213 ILE H H 9.01 0.01 1 1641 . 213 ILE CA C 58.8 0.20 1 1642 . 213 ILE HA H 5.28 0.01 1 1643 . 213 ILE CB C 39.8 0.20 1 1644 . 213 ILE HB H 2.07 0.01 1 1645 . 213 ILE HG2 H 0.86 0.01 1 1646 . 213 ILE HG12 H 1.56 0.01 2 1647 . 213 ILE HG13 H 1.47 0.01 2 1648 . 213 ILE HD1 H 0.92 0.01 1 1649 . 213 ILE C C 177.5 0.20 1 1650 . 214 PHE N N 126.7 0.25 1 1651 . 214 PHE H H 9.08 0.01 1 1652 . 214 PHE CA C 58.0 0.20 1 1653 . 214 PHE HA H 5.34 0.01 1 1654 . 214 PHE CB C 39.0 0.20 1 1655 . 214 PHE HB2 H 3.67 0.01 2 1656 . 214 PHE HB3 H 2.89 0.01 2 1657 . 214 PHE C C 173.8 0.20 1 1658 . 215 THR N N 120.9 0.25 1 1659 . 215 THR H H 8.71 0.01 1 1660 . 215 THR CA C 59.7 0.20 1 1661 . 215 THR HA H 4.08 0.01 1 1662 . 215 THR CB C 67.6 0.20 1 1663 . 215 THR HB H 3.87 0.01 1 1664 . 215 THR HG2 H 0.85 0.01 1 1665 . 215 THR C C 171.7 0.20 1 1666 . 216 GLY N N 104.4 0.25 1 1667 . 216 GLY H H 8.20 0.01 1 1668 . 216 GLY CA C 43.2 0.20 1 1669 . 216 GLY HA2 H 4.57 0.01 2 1670 . 216 GLY HA3 H 2.79 0.01 2 1671 . 216 GLY C C 171.1 0.20 1 1672 . 217 TYR N N 118.2 0.25 1 1673 . 217 TYR H H 7.63 0.01 1 1674 . 217 TYR CA C 56.8 0.20 1 1675 . 217 TYR HA H 4.36 0.01 1 1676 . 217 TYR CB C 39.4 0.20 1 1677 . 217 TYR HB2 H 3.08 0.01 2 1678 . 217 TYR HB3 H 2.27 0.01 2 1679 . 217 TYR C C 174.1 0.20 1 1680 . 218 TYR N N 125.2 0.25 1 1681 . 218 TYR H H 8.49 0.01 1 1682 . 218 TYR CA C 58.9 0.20 1 1683 . 218 TYR HA H 4.15 0.01 1 1684 . 218 TYR CB C 38.5 0.20 1 1685 . 218 TYR HB2 H 3.18 0.01 2 1686 . 218 TYR HB3 H 2.53 0.01 2 1687 . 218 TYR C C 174.4 0.20 1 1688 . 219 GLY N N 111.4 0.25 1 1689 . 219 GLY H H 6.02 0.01 1 1690 . 219 GLY CA C 45.9 0.20 1 1691 . 219 GLY HA2 H 3.82 0.01 2 1692 . 219 GLY HA3 H 3.51 0.01 2 stop_ save_