data_4844 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone HN, N , Ca, C' and Cb assignment of the 25 kDa peptide methionine sulfoxide reductase from Erwinia chrysanthemi ; _BMRB_accession_number 4844 _BMRB_flat_file_name bmr4844.str _Entry_type original _Submission_date 2000-09-29 _Accession_date 2000-09-29 _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 Beraud Sabine B. . 2 Chambost Jean-Pierre . . 3 Bersch Beate . . 4 Gans Pierre J.R. . 5 Barras Frederic . . 6 Marion Dominique . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 198 "13C chemical shifts" 612 "15N chemical shifts" 198 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-05-17 original author . stop_ _Original_release_date 2001-05-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone HN, N, Ca, C? and Cb assignment of the 25 kDa peptide methionine sulfoxide reductase from Erwinia chrysanthemi ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beraud Sabine B. . 2 Chambost Jean-Pierre . . 3 Bersch Beate . . 4 Gans Pierre J.R. . 5 Barras Frederic . . 6 Marion Dominique . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 20 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 97 _Page_last 98 _Year 2001 _Details . loop_ _Keyword 'methionine sulfoxide reductase' 'heteronuclear NMR assignment' deuteration 'protein repair' stop_ save_ ################################## # Molecular system description # ################################## save_system_pmsr _Saveframe_category molecular_system _Mol_system_name 'methionine sulfoxide reductase' _Abbreviation_common pmsr _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label pmsr $pmsr 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_pmsr _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'methionine sulfoxide reductase' _Abbreviation_common pmsr _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 221 _Mol_residue_sequence ; VIANFDKTQPIGQSDALPGR TTPMPVARLHVVNQHSMTHV PDHMEVAIFAMGCFWGVERL FWQQPGVYSTASGYCGGYTP NPTYREVCTGKTGHAEAVRV VFDPAVVSYPQLLQLFWENH NPAQGMRQGNDIGTQYRSAI YTLTTEQETAAKESYQRFQQ AMRDAGNDHDITTEIQPAGP FYYAEDEHQQYLHKNPDGYC GLGGIGVCLPPQGLEHHHHH H ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 ILE 3 ALA 4 ASN 5 PHE 6 ASP 7 LYS 8 THR 9 GLN 10 PRO 11 ILE 12 GLY 13 GLN 14 SER 15 ASP 16 ALA 17 LEU 18 PRO 19 GLY 20 ARG 21 THR 22 THR 23 PRO 24 MET 25 PRO 26 VAL 27 ALA 28 ARG 29 LEU 30 HIS 31 VAL 32 VAL 33 ASN 34 GLN 35 HIS 36 SER 37 MET 38 THR 39 HIS 40 VAL 41 PRO 42 ASP 43 HIS 44 MET 45 GLU 46 VAL 47 ALA 48 ILE 49 PHE 50 ALA 51 MET 52 GLY 53 CYS 54 PHE 55 TRP 56 GLY 57 VAL 58 GLU 59 ARG 60 LEU 61 PHE 62 TRP 63 GLN 64 GLN 65 PRO 66 GLY 67 VAL 68 TYR 69 SER 70 THR 71 ALA 72 SER 73 GLY 74 TYR 75 CYS 76 GLY 77 GLY 78 TYR 79 THR 80 PRO 81 ASN 82 PRO 83 THR 84 TYR 85 ARG 86 GLU 87 VAL 88 CYS 89 THR 90 GLY 91 LYS 92 THR 93 GLY 94 HIS 95 ALA 96 GLU 97 ALA 98 VAL 99 ARG 100 VAL 101 VAL 102 PHE 103 ASP 104 PRO 105 ALA 106 VAL 107 VAL 108 SER 109 TYR 110 PRO 111 GLN 112 LEU 113 LEU 114 GLN 115 LEU 116 PHE 117 TRP 118 GLU 119 ASN 120 HIS 121 ASN 122 PRO 123 ALA 124 GLN 125 GLY 126 MET 127 ARG 128 GLN 129 GLY 130 ASN 131 ASP 132 ILE 133 GLY 134 THR 135 GLN 136 TYR 137 ARG 138 SER 139 ALA 140 ILE 141 TYR 142 THR 143 LEU 144 THR 145 THR 146 GLU 147 GLN 148 GLU 149 THR 150 ALA 151 ALA 152 LYS 153 GLU 154 SER 155 TYR 156 GLN 157 ARG 158 PHE 159 GLN 160 GLN 161 ALA 162 MET 163 ARG 164 ASP 165 ALA 166 GLY 167 ASN 168 ASP 169 HIS 170 ASP 171 ILE 172 THR 173 THR 174 GLU 175 ILE 176 GLN 177 PRO 178 ALA 179 GLY 180 PRO 181 PHE 182 TYR 183 TYR 184 ALA 185 GLU 186 ASP 187 GLU 188 HIS 189 GLN 190 GLN 191 TYR 192 LEU 193 HIS 194 LYS 195 ASN 196 PRO 197 ASP 198 GLY 199 TYR 200 CYS 201 GLY 202 LEU 203 GLY 204 GLY 205 ILE 206 GLY 207 VAL 208 CYS 209 LEU 210 PRO 211 PRO 212 GLN 213 GLY 214 LEU 215 GLU 216 HIS 217 HIS 218 HIS 219 HIS 220 HIS 221 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 EMBL CAA10143 "protein-methionine-s-oxide reductase [Dickeya chrysanthemi]" 96.38 213 99.53 100.00 4.15e-157 GB ADM99860 "methionine sulfoxide reductase A [Dickeya dadantii 3937]" 96.38 213 99.53 100.00 4.15e-157 REF WP_013319285 "methionine sulfoxide reductase A [Dickeya dadantii]" 96.38 213 99.53 100.00 4.15e-157 REF WP_038924815 "methionine sulfoxide reductase A [Dickeya dadantii]" 95.93 212 99.06 99.53 8.85e-156 SP Q9ZEQ8 "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" 96.38 213 99.53 100.00 4.15e-157 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $pmsr . 556 Eubacteria . Erwinia chrysanthemi stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $pmsr 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $pmsr . mM 1 1.5 '[U-70% 2H; U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 0.3 n/a temperature 298 1 K 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 H2O H 1 protons ppm 4.666 internal direct spherical internal parallel_to_Bo . 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_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCO HN(CA)CO HNCA HN(CO)CA HNCACB HN(COCA)CB stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $condition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name pmsr _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 . 2 ILE H H 8.314 0.04 1 2 . 2 ILE C C 175.29 0.2 1 3 . 2 ILE CA C 61.22 0.2 1 4 . 2 ILE CB C 38.33 0.2 1 5 . 2 ILE N N 126.874 0.2 1 6 . 3 ALA H H 8.285 0.04 1 7 . 3 ALA C C 176.9 0.2 1 8 . 3 ALA CA C 52.54 0.2 1 9 . 3 ALA CB C 19.29 0.2 1 10 . 3 ALA N N 130.389 0.2 1 11 . 4 ASN H H 8.156 0.04 1 12 . 4 ASN C C 174.59 0.2 1 13 . 4 ASN CA C 53.37 0.2 1 14 . 4 ASN CB C 39.01 0.2 1 15 . 4 ASN N N 119.706 0.2 1 16 . 5 PHE H H 8.033 0.04 1 17 . 5 PHE C C 174.88 0.2 1 18 . 5 PHE CA C 58.63 0.2 1 19 . 5 PHE CB C 39.79 0.2 1 20 . 5 PHE N N 123.036 0.2 1 21 . 6 ASP H H 7.746 0.04 1 22 . 6 ASP C C 175.64 0.2 1 23 . 6 ASP CA C 53.85 0.2 1 24 . 6 ASP CB C 41.46 0.2 1 25 . 6 ASP N N 125.869 0.2 1 26 . 7 LYS H H 7.978 0.04 1 27 . 7 LYS C C 176.1 0.2 1 28 . 7 LYS CA C 57.47 0.2 1 29 . 7 LYS CB C 32.19 0.2 1 30 . 7 LYS N N 122.364 0.2 1 31 . 8 THR H H 8.096 0.04 1 32 . 8 THR C C 173.71 0.2 1 33 . 8 THR CA C 62.76 0.2 1 34 . 8 THR CB C 69.68 0.2 1 35 . 8 THR N N 113.299 0.2 1 36 . 9 GLN H H 7.811 0.04 1 37 . 9 GLN C C 173.55 0.2 1 38 . 9 GLN CA C 53.08 0.2 1 39 . 9 GLN CB C 28.62 0.2 1 40 . 9 GLN N N 124.531 0.2 1 41 . 10 PRO C C 176.63 0.2 1 42 . 10 PRO CA C 62.98 0.2 1 43 . 10 PRO CB C 32.03 0.2 1 44 . 11 ILE H H 8.12 0.04 1 45 . 11 ILE C C 175.15 0.2 1 46 . 11 ILE CA C 59.47 0.2 1 47 . 11 ILE CB C 39.79 0.2 1 48 . 11 ILE N N 123.679 0.2 1 49 . 12 GLY H H 8.332 0.04 1 50 . 12 GLY C C 174.27 0.2 1 51 . 12 GLY CA C 44.35 0.2 1 52 . 12 GLY N N 113.996 0.2 1 53 . 13 GLN H H 7.982 0.04 1 54 . 13 GLN C C 177.89 0.2 1 55 . 13 GLN CA C 58.76 0.2 1 56 . 13 GLN CB C 28.14 0.2 1 57 . 13 GLN N N 121.99 0.2 1 58 . 14 SER H H 8.112 0.04 1 59 . 14 SER C C 174.39 0.2 1 60 . 14 SER CA C 60.3 0.2 1 61 . 14 SER CB C 63.15 0.2 1 62 . 14 SER N N 113.791 0.2 1 63 . 15 ASP H H 7.264 0.04 1 64 . 15 ASP C C 174.75 0.2 1 65 . 15 ASP CA C 54.08 0.2 1 66 . 15 ASP CB C 42.25 0.2 1 67 . 15 ASP N N 120.806 0.2 1 68 . 16 ALA H H 6.806 0.04 1 69 . 16 ALA C C 177.78 0.2 1 70 . 16 ALA CA C 51.51 0.2 1 71 . 16 ALA CB C 19.69 0.2 1 72 . 16 ALA N N 122.96 0.2 1 73 . 17 LEU H H 7.317 0.04 1 74 . 17 LEU C C 177.16 0.2 1 75 . 17 LEU CA C 53.5 0.2 1 76 . 17 LEU CB C 39.55 0.2 1 77 . 17 LEU N N 121.076 0.2 1 78 . 18 PRO C C 177.98 0.2 1 79 . 18 PRO CA C 64.26 0.2 1 80 . 18 PRO CB C 31.61 0.2 1 81 . 19 GLY H H 8.305 0.04 1 82 . 19 GLY C C 172.55 0.2 1 83 . 19 GLY CA C 45.77 0.2 1 84 . 19 GLY N N 108.92 0.2 1 85 . 20 ARG H H 7.618 0.04 1 86 . 20 ARG C C 175.63 0.2 1 87 . 20 ARG CA C 54.54 0.2 1 88 . 20 ARG CB C 29.21 0.2 1 89 . 20 ARG N N 119.273 0.2 1 90 . 21 THR H H 8.459 0.04 1 91 . 21 THR C C 174.8 0.2 1 92 . 21 THR CA C 62.53 0.2 1 93 . 21 THR CB C 69.18 0.2 1 94 . 21 THR N N 110.653 0.2 1 95 . 22 THR H H 6.819 0.04 1 96 . 22 THR C C 171.82 0.2 1 97 . 22 THR CA C 59.23 0.2 1 98 . 22 THR CB C 69.9 0.2 1 99 . 22 THR N N 118.641 0.2 1 100 . 23 PRO C C 176.55 0.2 1 101 . 23 PRO CA C 61.8 0.2 1 102 . 23 PRO CB C 32.47 0.2 1 103 . 24 MET H H 8.525 0.04 1 104 . 24 MET C C 174.98 0.2 1 105 . 24 MET CA C 52.57 0.2 1 106 . 24 MET CB C 32.49 0.2 1 107 . 24 MET N N 125.511 0.2 1 108 . 25 PRO C C 176.36 0.2 1 109 . 25 PRO CA C 63.35 0.2 1 110 . 25 PRO CB C 31.54 0.2 1 111 . 26 VAL H H 7.921 0.04 1 112 . 26 VAL C C 174.93 0.2 1 113 . 26 VAL CA C 60.65 0.2 1 114 . 26 VAL CB C 34.85 0.2 1 115 . 26 VAL N N 125.648 0.2 1 116 . 27 ALA H H 9.627 0.04 1 117 . 27 ALA C C 176.72 0.2 1 118 . 27 ALA CA C 52.31 0.2 1 119 . 27 ALA CB C 18.82 0.2 1 120 . 27 ALA N N 133.382 0.2 1 121 . 28 ARG H H 7.918 0.04 1 122 . 28 ARG C C 178.37 0.2 1 123 . 28 ARG CA C 59.36 0.2 1 124 . 28 ARG CB C 30.87 0.2 1 125 . 28 ARG N N 118.147 0.2 1 126 . 29 LEU H H 7.484 0.04 1 127 . 29 LEU C C 176.54 0.2 1 128 . 29 LEU CA C 52.9 0.2 1 129 . 29 LEU CB C 44.44 0.2 1 130 . 29 LEU N N 115.616 0.2 1 131 . 30 HIS H H 9.004 0.04 1 132 . 30 HIS C C 178.37 0.2 1 133 . 30 HIS CA C 57.48 0.2 1 134 . 30 HIS CB C 33.02 0.2 1 135 . 30 HIS N N 128.726 0.2 1 136 . 31 VAL H H 7.688 0.04 1 137 . 31 VAL C C 175.92 0.2 1 138 . 31 VAL CA C 64.38 0.2 1 139 . 31 VAL CB C 30.87 0.2 1 140 . 31 VAL N N 121.871 0.2 1 141 . 32 VAL H H 7.697 0.04 1 142 . 32 VAL C C 177.3 0.2 1 143 . 32 VAL CA C 64.28 0.2 1 144 . 32 VAL CB C 30.91 0.2 1 145 . 32 VAL N N 120.857 0.2 1 146 . 33 ASN H H 7.075 0.04 1 147 . 33 ASN C C 174.86 0.2 1 148 . 33 ASN CA C 51.96 0.2 1 149 . 33 ASN CB C 39.15 0.2 1 150 . 33 ASN N N 114.636 0.2 1 151 . 34 GLN H H 7.493 0.04 1 152 . 34 GLN C C 174.53 0.2 1 153 . 34 GLN CA C 57.59 0.2 1 154 . 34 GLN CB C 25.2 0.2 1 155 . 34 GLN N N 111.313 0.2 1 156 . 35 HIS H H 7.838 0.04 1 157 . 35 HIS C C 174.51 0.2 1 158 . 35 HIS CA C 52.31 0.2 1 159 . 35 HIS CB C 29 0.2 1 160 . 35 HIS N N 116.764 0.2 1 161 . 36 SER H H 7.863 0.04 1 162 . 36 SER C C 176.97 0.2 1 163 . 36 SER CA C 59.24 0.2 1 164 . 36 SER CB C 63.68 0.2 1 165 . 36 SER N N 113.342 0.2 1 166 . 37 MET H H 7.984 0.04 1 167 . 37 MET C C 177.61 0.2 1 168 . 37 MET CA C 56.18 0.2 1 169 . 37 MET CB C 33.24 0.2 1 170 . 37 MET N N 125.839 0.2 1 171 . 38 THR H H 8.007 0.04 1 172 . 38 THR C C 174.76 0.2 1 173 . 38 THR CA C 62.52 0.2 1 174 . 38 THR CB C 70.28 0.2 1 175 . 38 THR N N 109.641 0.2 1 176 . 39 HIS H H 8.177 0.04 1 177 . 39 HIS C C 174.04 0.2 1 178 . 39 HIS CA C 57.01 0.2 1 179 . 39 HIS CB C 30.5 0.2 1 180 . 39 HIS N N 124.379 0.2 1 181 . 40 VAL H H 7.888 0.04 1 182 . 40 VAL C C 173.01 0.2 1 183 . 40 VAL CA C 59.46 0.2 1 184 . 40 VAL CB C 32.15 0.2 1 185 . 40 VAL N N 129.116 0.2 1 186 . 41 PRO C C 174.89 0.2 1 187 . 41 PRO CA C 62.29 0.2 1 188 . 42 ASP H H 7.872 0.04 1 189 . 42 ASP C C 176.2 0.2 1 190 . 42 ASP CA C 55.94 0.2 1 191 . 42 ASP CB C 40.51 0.2 1 192 . 42 ASP N N 121.376 0.2 1 193 . 43 HIS H H 8.216 0.04 1 194 . 43 HIS C C 174.18 0.2 1 195 . 43 HIS CA C 57.26 0.2 1 196 . 43 HIS CB C 27 0.2 1 197 . 43 HIS N N 114.545 0.2 1 198 . 44 MET H H 7.416 0.04 1 199 . 44 MET C C 173.59 0.2 1 200 . 44 MET CA C 56.79 0.2 1 201 . 44 MET CB C 31.91 0.2 1 202 . 44 MET N N 118.583 0.2 1 203 . 45 GLU H H 8.156 0.04 1 204 . 45 GLU C C 172.3 0.2 1 205 . 45 GLU CA C 54.77 0.2 1 206 . 45 GLU CB C 33.75 0.2 1 207 . 45 GLU N N 122.021 0.2 1 208 . 46 VAL H H 7.365 0.04 1 209 . 46 VAL C C 174.17 0.2 1 210 . 46 VAL CA C 60.77 0.2 1 211 . 46 VAL CB C 33.99 0.2 1 212 . 46 VAL N N 121.038 0.2 1 213 . 47 ALA H H 9.268 0.04 1 214 . 47 ALA C C 174.47 0.2 1 215 . 47 ALA CA C 50.34 0.2 1 216 . 47 ALA CB C 24.28 0.2 1 217 . 47 ALA N N 129.853 0.2 1 218 . 48 ILE H H 6.851 0.04 1 219 . 48 ILE C C 174.01 0.2 1 220 . 48 ILE CA C 60.41 0.2 1 221 . 48 ILE CB C 40.27 0.2 1 222 . 48 ILE N N 119.687 0.2 1 223 . 49 PHE H H 8.036 0.04 1 224 . 49 PHE C C 173.18 0.2 1 225 . 49 PHE CA C 56.09 0.2 1 226 . 49 PHE CB C 44.76 0.2 1 227 . 49 PHE N N 124.009 0.2 1 228 . 50 ALA H H 9.284 0.04 1 229 . 50 ALA C C 175.62 0.2 1 230 . 50 ALA CA C 52.19 0.2 1 231 . 50 ALA CB C 22.06 0.2 1 232 . 50 ALA N N 127.539 0.2 1 233 . 51 MET H H 9.104 0.04 1 234 . 51 MET C C 172.84 0.2 1 235 . 51 MET CA C 54.2 0.2 1 236 . 51 MET CB C 34.79 0.2 1 237 . 51 MET N N 123.438 0.2 1 238 . 52 GLY H H 9.382 0.04 1 239 . 52 GLY C C 173.17 0.2 1 240 . 52 GLY CA C 43.18 0.2 1 241 . 52 GLY N N 111.417 0.2 1 242 . 53 CYS H H 9.182 0.04 1 243 . 53 CYS C C 178.75 0.2 1 244 . 53 CYS CA C 58.88 0.2 1 245 . 53 CYS CB C 26.66 0.2 1 246 . 53 CYS N N 123.508 0.2 1 247 . 54 PHE H H 8.019 0.04 1 248 . 54 PHE C C 176.56 0.2 1 249 . 54 PHE CA C 57.49 0.2 1 250 . 54 PHE CB C 37.15 0.2 1 251 . 54 PHE N N 125.87 0.2 1 252 . 55 TRP H H 7.672 0.04 1 253 . 55 TRP C C 180.46 0.2 1 254 . 55 TRP CA C 58.06 0.2 1 255 . 55 TRP CB C 28.6 0.2 1 256 . 55 TRP N N 125.187 0.2 1 257 . 56 GLY H H 8.327 0.04 1 258 . 56 GLY C C 175.51 0.2 1 259 . 56 GLY CA C 47.41 0.2 1 260 . 56 GLY N N 107.681 0.2 1 261 . 57 VAL H H 6.706 0.04 1 262 . 57 VAL C C 176.62 0.2 1 263 . 57 VAL CA C 65.69 0.2 1 264 . 57 VAL CB C 32.45 0.2 1 265 . 57 VAL N N 122.847 0.2 1 266 . 58 GLU H H 8.776 0.04 1 267 . 58 GLU C C 177.59 0.2 1 268 . 58 GLU CA C 61.24 0.2 1 269 . 58 GLU CB C 27.99 0.2 1 270 . 58 GLU N N 121.387 0.2 1 271 . 59 ARG H H 6.191 0.04 1 272 . 59 ARG C C 175.61 0.2 1 273 . 59 ARG CA C 57.35 0.2 1 274 . 59 ARG CB C 30.4 0.2 1 275 . 59 ARG N N 117.425 0.2 1 276 . 60 LEU H H 6.599 0.04 1 277 . 60 LEU C C 178.3 0.2 1 278 . 60 LEU CA C 57.47 0.2 1 279 . 60 LEU CB C 40.83 0.2 1 280 . 60 LEU N N 119.212 0.2 1 281 . 61 PHE H H 6.924 0.04 1 282 . 61 PHE C C 178.53 0.2 1 283 . 61 PHE CA C 63.33 0.2 1 284 . 61 PHE CB C 40.29 0.2 1 285 . 61 PHE N N 112.6 0.2 1 286 . 62 TRP H H 8.625 0.04 1 287 . 62 TRP C C 178.04 0.2 1 288 . 62 TRP CA C 60.64 0.2 1 289 . 62 TRP CB C 24.84 0.2 1 290 . 62 TRP N N 119.198 0.2 1 291 . 63 GLN H H 6.905 0.04 1 292 . 63 GLN C C 175.91 0.2 1 293 . 63 GLN CA C 56.55 0.2 1 294 . 63 GLN CB C 29.24 0.2 1 295 . 63 GLN N N 120.069 0.2 1 296 . 64 GLN H H 7.335 0.04 1 297 . 64 GLN C C 174.15 0.2 1 298 . 64 GLN CA C 52.69 0.2 1 299 . 64 GLN CB C 27.3 0.2 1 300 . 64 GLN N N 122.864 0.2 1 301 . 65 PRO C C 176.66 0.2 1 302 . 65 PRO CA C 64.16 0.2 1 303 . 65 PRO CB C 31.36 0.2 1 304 . 66 GLY H H 8.624 0.04 1 305 . 66 GLY C C 175.22 0.2 1 306 . 66 GLY CA C 46.12 0.2 1 307 . 66 GLY N N 111.992 0.2 1 308 . 67 VAL H H 7.758 0.04 1 309 . 67 VAL C C 175.26 0.2 1 310 . 67 VAL CA C 64.51 0.2 1 311 . 67 VAL CB C 31.13 0.2 1 312 . 67 VAL N N 124.782 0.2 1 313 . 68 TYR H H 9.594 0.04 1 314 . 68 TYR C C 176.16 0.2 1 315 . 68 TYR CA C 60.18 0.2 1 316 . 68 TYR CB C 41.07 0.2 1 317 . 68 TYR N N 134.252 0.2 1 318 . 69 SER H H 8.139 0.04 1 319 . 69 SER C C 171.02 0.2 1 320 . 69 SER CA C 58.06 0.2 1 321 . 69 SER CB C 65.33 0.2 1 322 . 69 SER N N 113.023 0.2 1 323 . 70 THR H H 6.939 0.04 1 324 . 70 THR C C 172.36 0.2 1 325 . 70 THR CA C 60.54 0.2 1 326 . 70 THR CB C 73.2 0.2 1 327 . 70 THR N N 111.839 0.2 1 328 . 71 ALA H H 7.961 0.04 1 329 . 71 ALA C C 177.07 0.2 1 330 . 71 ALA CA C 51.87 0.2 1 331 . 71 ALA CB C 23.67 0.2 1 332 . 71 ALA N N 118.124 0.2 1 333 . 72 SER H H 9.544 0.04 1 334 . 72 SER C C 175.23 0.2 1 335 . 72 SER CA C 59.23 0.2 1 336 . 72 SER CB C 63.99 0.2 1 337 . 72 SER N N 121.548 0.2 1 338 . 73 GLY H H 8.873 0.04 1 339 . 73 GLY C C 169.67 0.2 1 340 . 73 GLY CA C 47.4 0.2 1 341 . 73 GLY N N 115.16 0.2 1 342 . 74 TYR H H 8.574 0.04 1 343 . 74 TYR C C 173.71 0.2 1 344 . 74 TYR CA C 53.71 0.2 1 345 . 74 TYR CB C 40.53 0.2 1 346 . 74 TYR N N 122.979 0.2 1 347 . 75 CYS H H 8.712 0.04 1 348 . 75 CYS C C 173.18 0.2 1 349 . 75 CYS CA C 58.76 0.2 1 350 . 75 CYS CB C 31.25 0.2 1 351 . 75 CYS N N 124.439 0.2 1 352 . 76 GLY H H 8.679 0.04 1 353 . 76 GLY C C 174.48 0.2 1 354 . 76 GLY CA C 44.58 0.2 1 355 . 76 GLY N N 115.146 0.2 1 356 . 77 GLY H H 8.73 0.04 1 357 . 77 GLY C C 172.99 0.2 1 358 . 77 GLY CA C 42.37 0.2 1 359 . 77 GLY N N 113.582 0.2 1 360 . 78 TYR H H 7.507 0.04 1 361 . 78 TYR C C 176.57 0.2 1 362 . 78 TYR CA C 58.52 0.2 1 363 . 78 TYR CB C 40.7 0.2 1 364 . 78 TYR N N 119.261 0.2 1 365 . 79 THR H H 6.63 0.04 1 366 . 79 THR C C 172.36 0.2 1 367 . 79 THR CA C 62.51 0.2 1 368 . 79 THR CB C 72.39 0.2 1 369 . 79 THR N N 118.323 0.2 1 370 . 82 PRO C C 174.54 0.2 1 371 . 82 PRO CA C 62.52 0.2 1 372 . 82 PRO CB C 33.02 0.2 1 373 . 83 THR H H 8.004 0.04 1 374 . 83 THR C C 175.34 0.2 1 375 . 83 THR CA C 58.67 0.2 1 376 . 83 THR CB C 71.88 0.2 1 377 . 83 THR N N 108.413 0.2 1 378 . 84 TYR H H 11.541 0.04 1 379 . 84 TYR C C 178.83 0.2 1 380 . 84 TYR CA C 62.86 0.2 1 381 . 84 TYR CB C 37.89 0.2 1 382 . 84 TYR N N 128.052 0.2 1 383 . 85 ARG H H 8.099 0.04 1 384 . 85 ARG C C 179.71 0.2 1 385 . 85 ARG CA C 59.36 0.2 1 386 . 85 ARG CB C 29.59 0.2 1 387 . 85 ARG N N 118.355 0.2 1 388 . 86 GLU H H 7.33 0.04 1 389 . 86 GLU C C 180.46 0.2 1 390 . 86 GLU CA C 59 0.2 1 391 . 86 GLU CB C 29.11 0.2 1 392 . 86 GLU N N 119.074 0.2 1 393 . 87 VAL H H 8.581 0.04 1 394 . 87 VAL C C 180.47 0.2 1 395 . 87 VAL CA C 66.16 0.2 1 396 . 87 VAL CB C 30.77 0.2 1 397 . 87 VAL N N 125.103 0.2 1 398 . 88 CYS H H 8.008 0.04 1 399 . 88 CYS C C 174.58 0.2 1 400 . 88 CYS CA C 62.63 0.2 1 401 . 88 CYS CB C 27.18 0.2 1 402 . 88 CYS N N 118.495 0.2 1 403 . 89 THR H H 7.114 0.04 1 404 . 89 THR C C 176.68 0.2 1 405 . 89 THR CA C 64.06 0.2 1 406 . 89 THR CB C 72.48 0.2 1 407 . 89 THR N N 109.831 0.2 1 408 . 90 GLY H H 7.477 0.04 1 409 . 90 GLY C C 175.82 0.2 1 410 . 90 GLY CA C 46.35 0.2 1 411 . 90 GLY N N 108.495 0.2 1 412 . 91 LYS H H 8.121 0.04 1 413 . 91 LYS C C 175.68 0.2 1 414 . 91 LYS CA C 57.25 0.2 1 415 . 91 LYS CB C 31.05 0.2 1 416 . 91 LYS N N 118.176 0.2 1 417 . 92 THR H H 8.091 0.04 1 418 . 92 THR C C 175.96 0.2 1 419 . 92 THR CA C 61.91 0.2 1 420 . 92 THR CB C 71.5 0.2 1 421 . 92 THR N N 107.485 0.2 1 422 . 93 GLY H H 6.508 0.04 1 423 . 93 GLY C C 174.3 0.2 1 424 . 93 GLY CA C 46.12 0.2 1 425 . 93 GLY N N 110.161 0.2 1 426 . 94 HIS H H 7.799 0.04 1 427 . 94 HIS C C 175.29 0.2 1 428 . 94 HIS CA C 57.48 0.2 1 429 . 94 HIS CB C 33.01 0.2 1 430 . 94 HIS N N 123.017 0.2 1 431 . 95 ALA H H 9.208 0.04 1 432 . 95 ALA C C 178.08 0.2 1 433 . 95 ALA CA C 50.81 0.2 1 434 . 95 ALA CB C 20.42 0.2 1 435 . 95 ALA N N 124.305 0.2 1 436 . 96 GLU H H 9.009 0.04 1 437 . 96 GLU C C 176.2 0.2 1 438 . 96 GLU CA C 57.94 0.2 1 439 . 96 GLU CB C 26.91 0.2 1 440 . 96 GLU N N 121.267 0.2 1 441 . 97 ALA H H 9.486 0.04 1 442 . 97 ALA C C 174.34 0.2 1 443 . 97 ALA CA C 50.81 0.2 1 444 . 97 ALA CB C 24.19 0.2 1 445 . 97 ALA N N 131.572 0.2 1 446 . 98 VAL H H 9.104 0.04 1 447 . 98 VAL C C 173.59 0.2 1 448 . 98 VAL CA C 60.19 0.2 1 449 . 98 VAL CB C 35.71 0.2 1 450 . 98 VAL N N 118.368 0.2 1 451 . 99 ARG H H 8.464 0.04 1 452 . 99 ARG C C 174.75 0.2 1 453 . 99 ARG CA C 54.2 0.2 1 454 . 99 ARG CB C 31.27 0.2 1 455 . 99 ARG N N 128.733 0.2 1 456 . 100 VAL H H 9.4 0.04 1 457 . 100 VAL C C 174.23 0.2 1 458 . 100 VAL CA C 61.59 0.2 1 459 . 100 VAL CB C 34.31 0.2 1 460 . 100 VAL N N 130.951 0.2 1 461 . 101 VAL H H 8.532 0.04 1 462 . 101 VAL C C 176.38 0.2 1 463 . 101 VAL CA C 61.23 0.2 1 464 . 101 VAL CB C 32.04 0.2 1 465 . 101 VAL N N 129.172 0.2 1 466 . 102 PHE H H 9.528 0.04 1 467 . 102 PHE C C 170.72 0.2 1 468 . 102 PHE CA C 55.15 0.2 1 469 . 102 PHE CB C 42.78 0.2 1 470 . 102 PHE N N 127.316 0.2 1 471 . 103 ASP H H 8.318 0.04 1 472 . 103 ASP C C 175.38 0.2 1 473 . 103 ASP CA C 50.34 0.2 1 474 . 103 ASP CB C 41.96 0.2 1 475 . 103 ASP N N 121.787 0.2 1 476 . 104 PRO C C 177.6 0.2 1 477 . 104 PRO CA C 63.35 0.2 1 478 . 104 PRO CB C 31.98 0.2 1 479 . 105 ALA H H 8.078 0.04 1 480 . 105 ALA C C 177.73 0.2 1 481 . 105 ALA CA C 53.5 0.2 1 482 . 105 ALA CB C 18.41 0.2 1 483 . 105 ALA N N 122.174 0.2 1 484 . 106 VAL H H 8.09 0.04 1 485 . 106 VAL C C 174.98 0.2 1 486 . 106 VAL CA C 63.91 0.2 1 487 . 106 VAL CB C 34.64 0.2 1 488 . 106 VAL N N 120.881 0.2 1 489 . 107 VAL H H 8.539 0.04 1 490 . 107 VAL C C 170.55 0.2 1 491 . 107 VAL CA C 59.12 0.2 1 492 . 107 VAL CB C 34.65 0.2 1 493 . 107 VAL N N 123.258 0.2 1 494 . 108 SER H H 8.246 0.04 1 495 . 108 SER C C 175.34 0.2 1 496 . 108 SER CA C 56.55 0.2 1 497 . 108 SER CB C 66.68 0.2 1 498 . 108 SER N N 121.778 0.2 1 499 . 109 TYR H H 9.652 0.04 1 500 . 109 TYR C C 175.38 0.2 1 501 . 109 TYR CA C 64.15 0.2 1 502 . 109 TYR CB C 36.04 0.2 1 503 . 109 TYR N N 122.88 0.2 1 504 . 110 PRO C C 179.1 0.2 1 505 . 110 PRO CA C 66.73 0.2 1 506 . 110 PRO CB C 31.05 0.2 1 507 . 111 GLN H H 7.482 0.04 1 508 . 111 GLN C C 179.47 0.2 1 509 . 111 GLN CA C 59.46 0.2 1 510 . 111 GLN CB C 28.96 0.2 1 511 . 111 GLN N N 119.629 0.2 1 512 . 112 LEU H H 7.684 0.04 1 513 . 112 LEU C C 178.66 0.2 1 514 . 112 LEU CA C 57.95 0.2 1 515 . 112 LEU CB C 39.93 0.2 1 516 . 112 LEU N N 123.305 0.2 1 517 . 113 LEU H H 8.019 0.04 1 518 . 113 LEU C C 178.02 0.2 1 519 . 113 LEU CA C 57.02 0.2 1 520 . 113 LEU CB C 40.76 0.2 1 521 . 113 LEU N N 118.996 0.2 1 522 . 114 GLN H H 7.417 0.04 1 523 . 114 GLN C C 176.56 0.2 1 524 . 114 GLN CA C 60.41 0.2 1 525 . 114 GLN CB C 27.19 0.2 1 526 . 114 GLN N N 120.218 0.2 1 527 . 115 LEU H H 6.722 0.04 1 528 . 115 LEU C C 179.18 0.2 1 529 . 115 LEU CA C 57.48 0.2 1 530 . 115 LEU CB C 41.62 0.2 1 531 . 115 LEU N N 118.344 0.2 1 532 . 116 PHE H H 7.473 0.04 1 533 . 116 PHE C C 176.67 0.2 1 534 . 116 PHE CA C 60.31 0.2 1 535 . 116 PHE N N 120.405 0.2 1 536 . 117 TRP H H 8.296 0.04 1 537 . 117 TRP C C 176.55 0.2 1 538 . 117 TRP CA C 60.05 0.2 1 539 . 117 TRP CB C 29.53 0.2 1 540 . 117 TRP N N 120.48 0.2 1 541 . 118 GLU H H 7.39 0.04 1 542 . 118 GLU C C 178.09 0.2 1 543 . 118 GLU CA C 57.95 0.2 1 544 . 118 GLU CB C 30 0.2 1 545 . 118 GLU N N 109.08 0.2 1 546 . 119 ASN H H 6.761 0.04 1 547 . 119 ASN C C 172.44 0.2 1 548 . 119 ASN CA C 54.19 0.2 1 549 . 119 ASN CB C 41.12 0.2 1 550 . 119 ASN N N 114.044 0.2 1 551 . 120 HIS H H 7.257 0.04 1 552 . 120 HIS C C 171.72 0.2 1 553 . 120 HIS CA C 54.91 0.2 1 554 . 120 HIS CB C 30.58 0.2 1 555 . 120 HIS N N 113.966 0.2 1 556 . 121 ASN H H 9.193 0.04 1 557 . 121 ASN C C 174.7 0.2 1 558 . 121 ASN CA C 49.76 0.2 1 559 . 121 ASN CB C 38.67 0.2 1 560 . 121 ASN N N 120.011 0.2 1 561 . 122 PRO C C 173.72 0.2 1 562 . 122 PRO CA C 63.93 0.2 1 563 . 122 PRO CB C 31.79 0.2 1 564 . 123 ALA H H 7.804 0.04 1 565 . 123 ALA C C 177.55 0.2 1 566 . 123 ALA CA C 51.39 0.2 1 567 . 123 ALA CB C 20.98 0.2 1 568 . 123 ALA N N 124.74 0.2 1 569 . 124 GLN H H 8.742 0.04 1 570 . 124 GLN C C 176.16 0.2 1 571 . 124 GLN CA C 56.18 0.2 1 572 . 124 GLN CB C 31.32 0.2 1 573 . 124 GLN N N 120.488 0.2 1 574 . 125 GLY H H 8.374 0.04 1 575 . 125 GLY C C 176.37 0.2 1 576 . 125 GLY CA C 46.1 0.2 1 577 . 125 GLY N N 111.891 0.2 1 578 . 126 MET H H 8.83 0.04 1 579 . 126 MET C C 175.49 0.2 1 580 . 126 MET CA C 52.49 0.2 1 581 . 126 MET CB C 29.51 0.2 1 582 . 126 MET N N 129.947 0.2 1 583 . 127 ARG H H 7.897 0.04 1 584 . 127 ARG C C 173.36 0.2 1 585 . 127 ARG CA C 55.72 0.2 1 586 . 127 ARG CB C 31.82 0.2 1 587 . 127 ARG N N 120.4 0.2 1 588 . 128 GLN H H 8.68 0.04 1 589 . 128 GLN C C 175.61 0.2 1 590 . 128 GLN CA C 55.38 0.2 1 591 . 128 GLN CB C 29.73 0.2 1 592 . 128 GLN N N 122.641 0.2 1 593 . 129 GLY H H 9.625 0.04 1 594 . 129 GLY C C 175.03 0.2 1 595 . 129 GLY CA C 47.17 0.2 1 596 . 129 GLY N N 120.46 0.2 1 597 . 130 ASN H H 8.861 0.04 1 598 . 130 ASN C C 174.1 0.2 1 599 . 130 ASN CA C 53.51 0.2 1 600 . 130 ASN CB C 38.91 0.2 1 601 . 130 ASN N N 127.029 0.2 1 602 . 131 ASP H H 8.035 0.04 1 603 . 131 ASP C C 173.05 0.2 1 604 . 131 ASP CA C 54.78 0.2 1 605 . 131 ASP CB C 38.94 0.2 1 606 . 131 ASP N N 123.771 0.2 1 607 . 132 ILE H H 8.17 0.04 1 608 . 132 ILE C C 175.51 0.2 1 609 . 132 ILE CA C 61.46 0.2 1 610 . 132 ILE CB C 38.76 0.2 1 611 . 132 ILE N N 126.073 0.2 1 612 . 133 GLY H H 8.071 0.04 1 613 . 133 GLY C C 174.35 0.2 1 614 . 133 GLY CA C 44.47 0.2 1 615 . 133 GLY N N 116.599 0.2 1 616 . 134 THR H H 8.415 0.04 1 617 . 134 THR C C 177.48 0.2 1 618 . 134 THR CA C 64.51 0.2 1 619 . 134 THR CB C 69.17 0.2 1 620 . 134 THR N N 114.325 0.2 1 621 . 135 GLN H H 9.526 0.04 1 622 . 135 GLN C C 173.94 0.2 1 623 . 135 GLN CA C 56.66 0.2 1 624 . 135 GLN CB C 26.99 0.2 1 625 . 135 GLN N N 124.008 0.2 1 626 . 136 TYR H H 7.211 0.04 1 627 . 136 TYR C C 174.4 0.2 1 628 . 136 TYR CA C 56.55 0.2 1 629 . 136 TYR CB C 38.42 0.2 1 630 . 136 TYR N N 120.97 0.2 1 631 . 137 ARG H H 6.62 0.04 1 632 . 137 ARG C C 171.65 0.2 1 633 . 137 ARG CA C 55.38 0.2 1 634 . 137 ARG CB C 30.25 0.2 1 635 . 137 ARG N N 117.782 0.2 1 636 . 138 SER H H 7.449 0.04 1 637 . 138 SER C C 176.61 0.2 1 638 . 138 SER CA C 57.13 0.2 1 639 . 138 SER CB C 61.76 0.2 1 640 . 138 SER N N 115.301 0.2 1 641 . 139 ALA H H 10.144 0.04 1 642 . 139 ALA C C 173.83 0.2 1 643 . 139 ALA CA C 53.03 0.2 1 644 . 139 ALA CB C 22.55 0.2 1 645 . 139 ALA N N 134.6 0.2 1 646 . 140 ILE H H 8.089 0.04 1 647 . 140 ILE C C 173.87 0.2 1 648 . 140 ILE CA C 61.47 0.2 1 649 . 140 ILE CB C 40.04 0.2 1 650 . 140 ILE N N 121.165 0.2 1 651 . 141 TYR H H 6.775 0.04 1 652 . 141 TYR C C 176.74 0.2 1 653 . 141 TYR CA C 54.68 0.2 1 654 . 141 TYR CB C 37.9 0.2 1 655 . 141 TYR N N 126.386 0.2 1 656 . 142 THR H H 8.549 0.04 1 657 . 142 THR C C 175.75 0.2 1 658 . 142 THR CA C 62.16 0.2 1 659 . 142 THR CB C 69.99 0.2 1 660 . 142 THR N N 116.679 0.2 1 661 . 143 LEU H H 8.369 0.04 1 662 . 143 LEU C C 177.07 0.2 1 663 . 143 LEU CA C 55.24 0.2 1 664 . 143 LEU CB C 43.85 0.2 1 665 . 143 LEU N N 123.258 0.2 1 666 . 144 THR H H 6.834 0.04 1 667 . 144 THR C C 175.52 0.2 1 668 . 144 THR CA C 58.53 0.2 1 669 . 144 THR CB C 73.43 0.2 1 670 . 144 THR N N 108.166 0.2 1 671 . 145 THR H H 8.92 0.04 1 672 . 145 THR C C 176.21 0.2 1 673 . 145 THR CA C 66.03 0.2 1 674 . 145 THR CB C 68.5 0.2 1 675 . 145 THR N N 120.378 0.2 1 676 . 146 GLU H H 8.391 0.04 1 677 . 146 GLU C C 180.42 0.2 1 678 . 146 GLU CA C 60.42 0.2 1 679 . 146 GLU CB C 28.73 0.2 1 680 . 146 GLU N N 123.785 0.2 1 681 . 147 GLN H H 7.786 0.04 1 682 . 147 GLN C C 177.9 0.2 1 683 . 147 GLN CA C 59 0.2 1 684 . 147 GLN CB C 27.7 0.2 1 685 . 147 GLN N N 121.06 0.2 1 686 . 148 GLU H H 7.628 0.04 1 687 . 148 GLU C C 178.06 0.2 1 688 . 148 GLU CA C 61.01 0.2 1 689 . 148 GLU CB C 29.18 0.2 1 690 . 148 GLU N N 121.326 0.2 1 691 . 149 THR H H 8.373 0.04 1 692 . 149 THR C C 176.78 0.2 1 693 . 149 THR CA C 66.62 0.2 1 694 . 149 THR CB C 68.88 0.2 1 695 . 149 THR N N 116.789 0.2 1 696 . 150 ALA H H 7.741 0.04 1 697 . 150 ALA C C 180.99 0.2 1 698 . 150 ALA CA C 55.24 0.2 1 699 . 150 ALA CB C 18.65 0.2 1 700 . 150 ALA N N 124.775 0.2 1 701 . 151 ALA H H 9.484 0.04 1 702 . 151 ALA C C 181.1 0.2 1 703 . 151 ALA CA C 55.61 0.2 1 704 . 151 ALA CB C 18.81 0.2 1 705 . 151 ALA N N 124.544 0.2 1 706 . 152 LYS H H 8.533 0.04 1 707 . 152 LYS C C 179.34 0.2 1 708 . 152 LYS CA C 60.98 0.2 1 709 . 152 LYS CB C 31.91 0.2 1 710 . 152 LYS N N 121.543 0.2 1 711 . 153 GLU H H 8.054 0.04 1 712 . 153 GLU C C 179.35 0.2 1 713 . 153 GLU CA C 60.05 0.2 1 714 . 153 GLU CB C 29.06 0.2 1 715 . 153 GLU N N 121.852 0.2 1 716 . 154 SER H H 8.304 0.04 1 717 . 154 SER C C 174.35 0.2 1 718 . 154 SER CA C 62.28 0.2 1 719 . 154 SER CB C 62.9 0.2 1 720 . 154 SER N N 117.333 0.2 1 721 . 155 TYR H H 7.906 0.04 1 722 . 155 TYR C C 176.73 0.2 1 723 . 155 TYR CA C 60.06 0.2 1 724 . 155 TYR CB C 38.76 0.2 1 725 . 155 TYR N N 127.014 0.2 1 726 . 156 GLN H H 7.392 0.04 1 727 . 156 GLN C C 179.53 0.2 1 728 . 156 GLN CA C 58.88 0.2 1 729 . 156 GLN CB C 28.03 0.2 1 730 . 156 GLN N N 119.201 0.2 1 731 . 157 ARG H H 7.819 0.04 1 732 . 157 ARG C C 178.9 0.2 1 733 . 157 ARG CA C 59.37 0.2 1 734 . 157 ARG CB C 30.43 0.2 1 735 . 157 ARG N N 119.735 0.2 1 736 . 158 PHE H H 8.579 0.04 1 737 . 158 PHE C C 176.79 0.2 1 738 . 158 PHE CA C 62.76 0.2 1 739 . 158 PHE CB C 37.19 0.2 1 740 . 158 PHE N N 124.735 0.2 1 741 . 159 GLN H H 8.271 0.04 1 742 . 159 GLN C C 178.78 0.2 1 743 . 159 GLN CA C 58.75 0.2 1 744 . 159 GLN CB C 29.06 0.2 1 745 . 159 GLN N N 119.439 0.2 1 746 . 160 GLN H H 7.321 0.04 1 747 . 160 GLN C C 176.84 0.2 1 748 . 160 GLN CA C 58.18 0.2 1 749 . 160 GLN CB C 27.87 0.2 1 750 . 160 GLN N N 119.477 0.2 1 751 . 161 ALA H H 7.616 0.04 1 752 . 161 ALA C C 181.09 0.2 1 753 . 161 ALA CA C 55.12 0.2 1 754 . 161 ALA CB C 17.43 0.2 1 755 . 161 ALA N N 124.253 0.2 1 756 . 162 MET H H 8.127 0.04 1 757 . 162 MET C C 177.77 0.2 1 758 . 162 MET CA C 60.39 0.2 1 759 . 162 MET CB C 32.94 0.2 1 760 . 162 MET N N 120.306 0.2 1 761 . 163 ARG H H 7.44 0.04 1 762 . 163 ARG C C 181.35 0.2 1 763 . 163 ARG CA C 59.35 0.2 1 764 . 163 ARG CB C 29.1 0.2 1 765 . 163 ARG N N 121.22 0.2 1 766 . 164 ASP H H 8.645 0.04 1 767 . 164 ASP C C 176.96 0.2 1 768 . 164 ASP CA C 57.24 0.2 1 769 . 164 ASP CB C 40.06 0.2 1 770 . 164 ASP N N 123.508 0.2 1 771 . 165 ALA H H 7.259 0.04 1 772 . 165 ALA C C 177.66 0.2 1 773 . 165 ALA CA C 51.97 0.2 1 774 . 165 ALA CB C 18.93 0.2 1 775 . 165 ALA N N 122.064 0.2 1 776 . 166 GLY H H 7.688 0.04 1 777 . 166 GLY C C 173.19 0.2 1 778 . 166 GLY CA C 45.66 0.2 1 779 . 166 GLY N N 108.913 0.2 1 780 . 167 ASN H H 7.984 0.04 1 781 . 167 ASN C C 174.53 0.2 1 782 . 167 ASN CA C 52.33 0.2 1 783 . 167 ASN CB C 38.76 0.2 1 784 . 167 ASN N N 122.067 0.2 1 785 . 168 ASP H H 8.152 0.04 1 786 . 168 ASP C C 176.29 0.2 1 787 . 168 ASP CA C 53.74 0.2 1 788 . 168 ASP CB C 40.58 0.2 1 789 . 168 ASP N N 125.594 0.2 1 790 . 169 HIS H H 8.164 0.04 1 791 . 169 HIS C C 174.63 0.2 1 792 . 169 HIS CA C 56.44 0.2 1 793 . 169 HIS CB C 29.33 0.2 1 794 . 169 HIS N N 119.573 0.2 1 795 . 170 ASP H H 8.358 0.04 1 796 . 170 ASP C C 176.08 0.2 1 797 . 170 ASP CA C 54.44 0.2 1 798 . 170 ASP CB C 41.14 0.2 1 799 . 170 ASP N N 124.042 0.2 1 800 . 171 ILE H H 8.592 0.04 1 801 . 171 ILE C C 177.26 0.2 1 802 . 171 ILE CA C 63.7 0.2 1 803 . 171 ILE CB C 39.27 0.2 1 804 . 171 ILE N N 124.994 0.2 1 805 . 172 THR H H 9.869 0.04 1 806 . 172 THR C C 175.35 0.2 1 807 . 172 THR CA C 62.41 0.2 1 808 . 172 THR CB C 69.76 0.2 1 809 . 172 THR N N 118.998 0.2 1 810 . 173 THR H H 7.746 0.04 1 811 . 173 THR C C 173.34 0.2 1 812 . 173 THR CA C 65.44 0.2 1 813 . 173 THR CB C 71.01 0.2 1 814 . 173 THR N N 125.176 0.2 1 815 . 174 GLU H H 8.122 0.04 1 816 . 174 GLU C C 174.15 0.2 1 817 . 174 GLU CA C 54.67 0.2 1 818 . 174 GLU CB C 31.59 0.2 1 819 . 174 GLU N N 129.424 0.2 1 820 . 175 ILE H H 8.185 0.04 1 821 . 175 ILE C C 175.74 0.2 1 822 . 175 ILE CA C 61 0.2 1 823 . 175 ILE CB C 38.38 0.2 1 824 . 175 ILE N N 125.047 0.2 1 825 . 176 GLN H H 8.28 0.04 1 826 . 176 GLN C C 172.41 0.2 1 827 . 176 GLN CA C 52.79 0.2 1 828 . 176 GLN CB C 31.84 0.2 1 829 . 176 GLN N N 126.585 0.2 1 830 . 177 PRO C C 178.08 0.2 1 831 . 177 PRO CA C 62.4 0.2 1 832 . 177 PRO CB C 31.53 0.2 1 833 . 178 ALA H H 8.886 0.04 1 834 . 178 ALA C C 179.43 0.2 1 835 . 178 ALA CA C 53.83 0.2 1 836 . 178 ALA CB C 19.85 0.2 1 837 . 178 ALA N N 128.244 0.2 1 838 . 179 GLY H H 7.198 0.04 1 839 . 179 GLY C C 170.03 0.2 1 840 . 179 GLY CA C 43.99 0.2 1 841 . 179 GLY N N 113.025 0.2 1 842 . 180 PRO C C 174.71 0.2 1 843 . 180 PRO CA C 63.23 0.2 1 844 . 180 PRO CB C 31.36 0.2 1 845 . 181 PHE H H 7.819 0.04 1 846 . 181 PHE C C 173.87 0.2 1 847 . 181 PHE CA C 57.25 0.2 1 848 . 181 PHE CB C 39.96 0.2 1 849 . 181 PHE N N 124.076 0.2 1 850 . 182 TYR H H 7.697 0.04 1 851 . 182 TYR C C 173.83 0.2 1 852 . 182 TYR CA C 56.08 0.2 1 853 . 182 TYR CB C 39.14 0.2 1 854 . 182 TYR N N 129.198 0.2 1 855 . 183 TYR H H 9.22 0.04 1 856 . 183 TYR C C 175.26 0.2 1 857 . 183 TYR CA C 60.29 0.2 1 858 . 183 TYR CB C 38.49 0.2 1 859 . 183 TYR N N 125.21 0.2 1 860 . 184 ALA H H 7.685 0.04 1 861 . 184 ALA C C 176.08 0.2 1 862 . 184 ALA CA C 51.01 0.2 1 863 . 184 ALA CB C 19.85 0.2 1 864 . 184 ALA N N 122.787 0.2 1 865 . 185 GLU H H 11.3 0.04 1 866 . 185 GLU C C 177.6 0.2 1 867 . 185 GLU CA C 58.24 0.2 1 868 . 185 GLU CB C 30.95 0.2 1 869 . 185 GLU N N 122.809 0.2 1 870 . 186 ASP H H 8.433 0.04 1 871 . 186 ASP C C 178.07 0.2 1 872 . 186 ASP CA C 59.11 0.2 1 873 . 186 ASP CB C 43.08 0.2 1 874 . 186 ASP N N 123.273 0.2 1 875 . 187 GLU H H 8.836 0.04 1 876 . 187 GLU C C 176.39 0.2 1 877 . 187 GLU CA C 58.65 0.2 1 878 . 187 GLU CB C 28.1 0.2 1 879 . 187 GLU N N 115.701 0.2 1 880 . 188 HIS H H 7.598 0.04 1 881 . 188 HIS C C 176.91 0.2 1 882 . 188 HIS CA C 58.19 0.2 1 883 . 188 HIS CB C 33.07 0.2 1 884 . 188 HIS N N 116.249 0.2 1 885 . 189 GLN H H 7.573 0.04 1 886 . 189 GLN C C 176.39 0.2 1 887 . 189 GLN CA C 55.24 0.2 1 888 . 189 GLN CB C 25.02 0.2 1 889 . 189 GLN N N 123.076 0.2 1 890 . 190 GLN H H 10.635 0.04 1 891 . 190 GLN C C 177.07 0.2 1 892 . 190 GLN CA C 58.19 0.2 1 893 . 190 GLN CB C 25.52 0.2 1 894 . 190 GLN N N 124.621 0.2 1 895 . 191 TYR H H 7.453 0.04 1 896 . 191 TYR C C 178.14 0.2 1 897 . 191 TYR CA C 63.46 0.2 1 898 . 191 TYR CB C 40.03 0.2 1 899 . 191 TYR N N 120.92 0.2 1 900 . 192 LEU H H 10.135 0.04 1 901 . 192 LEU C C 178.31 0.2 1 902 . 192 LEU CA C 56.09 0.2 1 903 . 192 LEU CB C 41.35 0.2 1 904 . 192 LEU N N 117.036 0.2 1 905 . 193 HIS H H 7.71 0.04 1 906 . 193 HIS C C 176.1 0.2 1 907 . 193 HIS CA C 59.24 0.2 1 908 . 193 HIS CB C 31.65 0.2 1 909 . 193 HIS N N 120.275 0.2 1 910 . 194 LYS H H 6.784 0.04 1 911 . 194 LYS C C 176.26 0.2 1 912 . 194 LYS CA C 58.29 0.2 1 913 . 194 LYS CB C 33.53 0.2 1 914 . 194 LYS N N 119.102 0.2 1 915 . 195 ASN H H 7.786 0.04 1 916 . 195 ASN C C 171.7 0.2 1 917 . 195 ASN CA C 50.45 0.2 1 918 . 195 ASN CB C 38.47 0.2 1 919 . 195 ASN N N 116.034 0.2 1 920 . 196 PRO C C 177.44 0.2 1 921 . 196 PRO CA C 64.63 0.2 1 922 . 196 PRO CB C 31.63 0.2 1 923 . 197 ASP H H 7.95 0.04 1 924 . 197 ASP C C 176.67 0.2 1 925 . 197 ASP CA C 53.84 0.2 1 926 . 197 ASP CB C 40.54 0.2 1 927 . 197 ASP N N 118.688 0.2 1 928 . 198 GLY H H 7.847 0.04 1 929 . 198 GLY C C 172.24 0.2 1 930 . 198 GLY CA C 45.28 0.2 1 931 . 198 GLY N N 109.055 0.2 1 932 . 199 TYR H H 8.153 0.04 1 933 . 199 TYR C C 174.33 0.2 1 934 . 199 TYR CA C 58.88 0.2 1 935 . 199 TYR CB C 39.2 0.2 1 936 . 199 TYR N N 122.147 0.2 1 937 . 200 CYS H H 8.065 0.04 1 938 . 200 CYS C C 173.58 0.2 1 939 . 200 CYS CA C 57.83 0.2 1 940 . 200 CYS CB C 28.3 0.2 1 941 . 200 CYS N N 127.902 0.2 1 942 . 201 GLY H H 7.757 0.04 1 943 . 201 GLY C C 173.74 0.2 1 944 . 201 GLY CA C 45.77 0.2 1 945 . 201 GLY N N 116.282 0.2 1 946 . 202 LEU H H 7.14 0.04 1 947 . 202 LEU C C 177.08 0.2 1 948 . 202 LEU CA C 55.5 0.2 1 949 . 202 LEU CB C 42.99 0.2 1 950 . 202 LEU N N 122.634 0.2 1 951 . 203 GLY H H 7.669 0.04 1 952 . 203 GLY C C 173.29 0.2 1 953 . 203 GLY CA C 46.22 0.2 1 954 . 203 GLY N N 113.045 0.2 1 955 . 204 GLY H H 8.195 0.04 1 956 . 204 GLY C C 174.88 0.2 1 957 . 204 GLY CA C 44.11 0.2 1 958 . 204 GLY N N 111.358 0.2 1 959 . 205 ILE H H 8.094 0.04 1 960 . 205 ILE C C 176.69 0.2 1 961 . 205 ILE CA C 61.14 0.2 1 962 . 205 ILE CB C 37.98 0.2 1 963 . 205 ILE N N 112.528 0.2 1 964 . 206 GLY H H 8.378 0.04 1 965 . 206 GLY C C 173.58 0.2 1 966 . 206 GLY CA C 46.22 0.2 1 967 . 206 GLY N N 113.464 0.2 1 968 . 207 VAL H H 7.005 0.04 1 969 . 207 VAL C C 174.87 0.2 1 970 . 207 VAL CA C 61.45 0.2 1 971 . 207 VAL CB C 33.74 0.2 1 972 . 207 VAL N N 121.223 0.2 1 973 . 208 CYS H H 8.301 0.04 1 974 . 208 CYS C C 174.36 0.2 1 975 . 208 CYS CA C 57.95 0.2 1 976 . 208 CYS CB C 29.73 0.2 1 977 . 208 CYS N N 126.02 0.2 1 978 . 209 LEU H H 9.855 0.04 1 979 . 209 LEU CA C 52.68 0.2 1 980 . 209 LEU CB C 42.21 0.2 1 981 . 209 LEU N N 128.008 0.2 1 982 . 211 PRO C C 176.8 0.2 1 983 . 211 PRO CA C 62.88 0.2 1 984 . 211 PRO CB C 31.95 0.2 1 985 . 212 GLN H H 8.317 0.04 1 986 . 212 GLN C C 176.42 0.2 1 987 . 212 GLN CA C 56.43 0.2 1 988 . 212 GLN CB C 29.65 0.2 1 989 . 212 GLN N N 121.776 0.2 1 990 . 213 GLY H H 8.364 0.04 1 991 . 213 GLY C C 174.03 0.2 1 992 . 213 GLY CA C 45.52 0.2 1 993 . 213 GLY N N 112.12 0.2 1 994 . 214 LEU H H 7.88 0.04 1 995 . 214 LEU C C 177.29 0.2 1 996 . 214 LEU CA C 55.37 0.2 1 997 . 214 LEU CB C 41.9 0.2 1 998 . 214 LEU N N 122.957 0.2 1 999 . 215 GLU H H 8.274 0.04 1 1000 . 215 GLU C C 176.13 0.2 1 1001 . 215 GLU CA C 56.77 0.2 1 1002 . 215 GLU CB C 29.77 0.2 1 1003 . 215 GLU N N 122.646 0.2 1 1004 . 216 HIS H H 8.21 0.04 1 1005 . 216 HIS C C 174.42 0.2 1 1006 . 216 HIS CA C 56.77 0.2 1 1007 . 216 HIS CB C 29.63 0.2 1 1008 . 216 HIS N N 121.126 0.2 1 stop_ save_