data_26647 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NFkB p65 DNA-binding domain ; _BMRB_accession_number 26647 _BMRB_flat_file_name bmr26647.str _Entry_type original _Submission_date 2015-09-02 _Accession_date 2015-09-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone N, C, H assignments with some side chain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mukherjee Sulakshana . . 2 Quintas Pedro O. . 3 Borin Brendan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 457 "13C chemical shifts" 296 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-02 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25792 p65dd/p50dd stop_ _Original_release_date 2016-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR characterization of a 72 kDa transcription factor using differential isotopic labeling ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26647230 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mukherjee Sulakshana . . 2 Borin Brendan . . 3 Quintas Pedro O. . 4 Dyson Jane . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 25 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 597 _Page_last 604 _Year 2016 _Details . loop_ _Keyword NMR dynamics structure 'transcription factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p65 DBD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p65 DBD' $p65DBD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'transcription factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p65DBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p65DBD _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; PYVEIIEQPKQRGMRFRYKC EGRSAGSIPGERSTDTTKTH PTIKINGYTGPGTVRISLVT KDPPHRPHPHELVGKDCRDG YYEADLCPDRSIHSFQNLGI QCVKKRDLEQAISQRIQTNN NPFHVPIEEQRGDYDLNAVR LCFQVTVRDPAGRPLLLTPV LSHPIFDNRAPNT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 PRO 2 20 TYR 3 21 VAL 4 22 GLU 5 23 ILE 6 24 ILE 7 25 GLU 8 26 GLN 9 27 PRO 10 28 LYS 11 29 GLN 12 30 ARG 13 31 GLY 14 32 MET 15 33 ARG 16 34 PHE 17 35 ARG 18 36 TYR 19 37 LYS 20 38 CYS 21 39 GLU 22 40 GLY 23 41 ARG 24 42 SER 25 43 ALA 26 44 GLY 27 45 SER 28 46 ILE 29 47 PRO 30 48 GLY 31 49 GLU 32 50 ARG 33 51 SER 34 52 THR 35 53 ASP 36 54 THR 37 55 THR 38 56 LYS 39 57 THR 40 58 HIS 41 59 PRO 42 60 THR 43 61 ILE 44 62 LYS 45 63 ILE 46 64 ASN 47 65 GLY 48 66 TYR 49 67 THR 50 68 GLY 51 69 PRO 52 70 GLY 53 71 THR 54 72 VAL 55 73 ARG 56 74 ILE 57 75 SER 58 76 LEU 59 77 VAL 60 78 THR 61 79 LYS 62 80 ASP 63 81 PRO 64 82 PRO 65 83 HIS 66 84 ARG 67 85 PRO 68 86 HIS 69 87 PRO 70 88 HIS 71 89 GLU 72 90 LEU 73 91 VAL 74 92 GLY 75 93 LYS 76 94 ASP 77 95 CYS 78 96 ARG 79 97 ASP 80 98 GLY 81 99 TYR 82 100 TYR 83 101 GLU 84 102 ALA 85 103 ASP 86 104 LEU 87 105 CYS 88 106 PRO 89 107 ASP 90 108 ARG 91 109 SER 92 110 ILE 93 111 HIS 94 112 SER 95 113 PHE 96 114 GLN 97 115 ASN 98 116 LEU 99 117 GLY 100 118 ILE 101 119 GLN 102 120 CYS 103 121 VAL 104 122 LYS 105 123 LYS 106 124 ARG 107 125 ASP 108 126 LEU 109 127 GLU 110 128 GLN 111 129 ALA 112 130 ILE 113 131 SER 114 132 GLN 115 133 ARG 116 134 ILE 117 135 GLN 118 136 THR 119 137 ASN 120 138 ASN 121 139 ASN 122 140 PRO 123 141 PHE 124 142 HIS 125 143 VAL 126 144 PRO 127 145 ILE 128 146 GLU 129 147 GLU 130 148 GLN 131 149 ARG 132 150 GLY 133 151 ASP 134 152 TYR 135 153 ASP 136 154 LEU 137 155 ASN 138 156 ALA 139 157 VAL 140 158 ARG 141 159 LEU 142 160 CYS 143 161 PHE 144 162 GLN 145 163 VAL 146 164 THR 147 165 VAL 148 166 ARG 149 167 ASP 150 168 PRO 151 169 ALA 152 170 GLY 153 171 ARG 154 172 PRO 155 173 LEU 156 174 LEU 157 175 LEU 158 176 THR 159 177 PRO 160 178 VAL 161 179 LEU 162 180 SER 163 181 HIS 164 182 PRO 165 183 ILE 166 184 PHE 167 185 ASP 168 186 ASN 169 187 ARG 170 188 ALA 171 189 PRO 172 190 ASN 173 191 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 1NFI NFkB-IkBa . . . . . PDB 1VKX NFkB-DNA . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p65DBD mouse 10090 Eukaryota Metazoa Mus musculus 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 $p65DBD 'recombinant technology' . Escherichia coli 'BL21 DE3' pET 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 $p65DBD 0.3 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM '[U-100% 2H]' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'normal conditions for this sample' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio na C 13 'methyl carbon' ppm 0.0 na indirect . . . 0.2511495 DSS H 1 'methyl protons' ppm 0.0 na direct . . . 1 na N 15 nitrogen ppm 0.0 na indirect . . . 0.1013291 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'p65 DBD' _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 21 3 VAL H H 7.89 0.01 1 2 21 3 VAL HA H 4.28 0.01 1 3 21 3 VAL HG1 H 0.88 0.01 2 4 21 3 VAL CA C 58.60 0.01 1 5 21 3 VAL N N 124.06 0.01 1 6 22 4 GLU H H 8.97 0.01 1 7 22 4 GLU HA H 4.73 0.01 1 8 22 4 GLU HB2 H 2.06 0.01 2 9 22 4 GLU HB3 H 1.85 0.01 2 10 22 4 GLU CA C 50.78 0.01 1 11 22 4 GLU CB C 31.31 0.01 1 12 22 4 GLU N N 125.35 0.01 1 13 23 5 ILE H H 9.16 0.01 1 14 23 5 ILE HA H 3.93 0.01 1 15 23 5 ILE HB H 1.66 0.01 1 16 23 5 ILE CA C 59.27 0.01 1 17 23 5 ILE CB C 34.25 0.01 1 18 23 5 ILE N N 124.99 0.01 1 19 24 6 ILE H H 7.85 0.01 1 20 24 6 ILE HA H 3.98 0.01 1 21 24 6 ILE HB H 1.72 0.01 1 22 24 6 ILE CA C 58.04 0.01 1 23 24 6 ILE CB C 34.86 0.01 1 24 24 6 ILE N N 124.54 0.01 1 25 25 7 GLU H H 7.64 0.01 1 26 25 7 GLU HA H 4.85 0.01 1 27 25 7 GLU HB2 H 1.88 0.01 2 28 25 7 GLU CA C 53.52 0.01 1 29 25 7 GLU CB C 28.63 0.01 1 30 25 7 GLU N N 123.00 0.01 1 31 26 8 GLN H H 9.10 0.01 1 32 26 8 GLN HA H 4.01 0.01 1 33 26 8 GLN CA C 51.80 0.01 1 34 26 8 GLN CB C 23.38 0.01 1 35 26 8 GLN N N 127.19 0.01 1 36 28 10 LYS H H 8.47 0.01 1 37 28 10 LYS HA H 4.09 0.01 1 38 28 10 LYS HB2 H 1.65 0.01 2 39 28 10 LYS CA C 54.29 0.01 1 40 28 10 LYS CB C 29.52 0.01 1 41 28 10 LYS N N 124.35 0.01 1 42 29 11 GLN H H 8.82 0.01 1 43 29 11 GLN HA H 4.34 0.01 1 44 29 11 GLN CA C 57.20 0.01 1 45 29 11 GLN CB C 28.45 0.01 1 46 29 11 GLN N N 124.54 0.01 1 47 30 12 ARG H H 7.85 0.01 1 48 30 12 ARG HA H 5.04 0.01 1 49 30 12 ARG HB2 H 1.76 0.01 2 50 30 12 ARG HB3 H 1.55 0.01 2 51 30 12 ARG CA C 51.50 0.01 1 52 30 12 ARG CB C 29.44 0.01 1 53 30 12 ARG N N 114.72 0.01 1 54 31 13 GLY H H 8.93 0.01 1 55 31 13 GLY HA2 H 4.08 0.01 2 56 31 13 GLY HA3 H 3.81 0.01 2 57 31 13 GLY CA C 42.22 0.01 1 58 31 13 GLY N N 109.18 0.01 1 59 32 14 MET H H 8.37 0.01 1 60 32 14 MET HA H 4.65 0.01 1 61 32 14 MET HB2 H 2.01 0.01 2 62 32 14 MET HG2 H 2.49 0.01 2 63 32 14 MET CA C 51.80 0.01 1 64 32 14 MET CB C 31.44 0.01 1 65 32 14 MET N N 122.66 0.01 1 66 33 15 ARG H H 8.40 0.01 1 67 33 15 ARG HA H 4.51 0.01 1 68 33 15 ARG HB2 H 1.75 0.01 2 69 33 15 ARG CA C 51.69 0.01 1 70 33 15 ARG CB C 27.96 0.01 1 71 33 15 ARG N N 125.19 0.01 1 72 34 16 PHE H H 9.13 0.01 1 73 34 16 PHE HA H 4.60 0.01 1 74 34 16 PHE HB2 H 2.85 0.01 2 75 34 16 PHE CA C 50.91 0.01 1 76 34 16 PHE CB C 33.16 0.01 1 77 34 16 PHE N N 127.77 0.01 1 78 35 17 ARG H H 8.22 0.01 1 79 35 17 ARG HA H 3.64 0.01 1 80 35 17 ARG HB2 H 2.21 0.01 2 81 35 17 ARG CA C 52.11 0.01 1 82 35 17 ARG CB C 29.30 0.01 1 83 35 17 ARG N N 122.60 0.01 1 84 36 18 TYR H H 8.79 0.01 1 85 36 18 TYR HA H 4.74 0.01 1 86 36 18 TYR HB2 H 2.82 0.01 2 87 36 18 TYR HB3 H 2.02 0.01 2 88 36 18 TYR CA C 54.49 0.01 1 89 36 18 TYR CB C 36.69 0.01 1 90 36 18 TYR N N 122.75 0.01 1 91 37 19 LYS H H 8.98 0.01 1 92 37 19 LYS CA C 56.15 0.01 1 93 37 19 LYS CB C 29.67 0.01 1 94 37 19 LYS N N 124.04 0.01 1 95 39 21 GLU H H 7.85 0.01 1 96 39 21 GLU HA H 4.30 0.01 1 97 39 21 GLU HB2 H 2.17 0.01 2 98 39 21 GLU CA C 53.97 0.01 1 99 39 21 GLU CB C 27.47 0.01 1 100 39 21 GLU N N 121.82 0.01 1 101 40 22 GLY H H 8.07 0.01 1 102 40 22 GLY CA C 42.29 0.01 1 103 40 22 GLY N N 108.40 0.01 1 104 41 23 ARG H H 8.11 0.01 1 105 41 23 ARG HA H 4.04 0.01 1 106 41 23 ARG CA C 52.70 0.01 1 107 41 23 ARG CB C 27.96 0.01 1 108 41 23 ARG N N 119.46 0.01 1 109 42 24 SER H H 8.36 0.01 1 110 42 24 SER HA H 4.19 0.01 1 111 42 24 SER CA C 55.16 0.01 1 112 42 24 SER CB C 60.76 0.01 1 113 42 24 SER N N 117.18 0.01 1 114 43 25 ALA H H 8.40 0.01 1 115 43 25 ALA HA H 4.36 0.01 1 116 43 25 ALA HB H 1.34 0.01 1 117 43 25 ALA CA C 49.34 0.01 1 118 43 25 ALA CB C 16.41 0.01 1 119 43 25 ALA N N 126.22 0.01 1 120 44 26 GLY H H 8.19 0.01 1 121 44 26 GLY HA2 H 3.99 0.01 2 122 44 26 GLY CA C 41.66 0.01 1 123 44 26 GLY N N 108.18 0.01 1 124 45 27 SER H H 8.00 0.01 1 125 45 27 SER HA H 4.21 0.01 1 126 45 27 SER HB2 H 3.97 0.01 2 127 45 27 SER CA C 54.25 0.01 1 128 45 27 SER N N 116.00 0.01 1 129 46 28 ILE H H 8.79 0.01 1 130 46 28 ILE HA H 4.29 0.01 1 131 46 28 ILE HB H 1.75 0.01 1 132 46 28 ILE CA C 57.34 0.01 1 133 46 28 ILE CB C 37.30 0.01 1 134 46 28 ILE N N 124.20 0.01 1 135 47 29 PRO CA C 58.50 0.01 1 136 48 30 GLY H H 7.82 0.01 1 137 48 30 GLY HA2 H 4.23 0.01 2 138 48 30 GLY CA C 40.99 0.01 1 139 48 30 GLY N N 106.89 0.01 1 140 49 31 GLU H H 8.67 0.01 1 141 49 31 GLU HA H 3.80 0.01 1 142 49 31 GLU CA C 56.25 0.01 1 143 49 31 GLU CB C 26.86 0.01 1 144 49 31 GLU N N 122.31 0.01 1 145 50 32 ARG H H 9.35 0.01 1 146 50 32 ARG HA H 4.32 0.01 1 147 50 32 ARG HB2 H 1.97 0.01 2 148 50 32 ARG HG2 H 1.59 0.01 2 149 50 32 ARG CA C 53.20 0.01 1 150 50 32 ARG CB C 26.06 0.01 1 151 50 32 ARG N N 118.66 0.01 1 152 51 33 SER H H 7.46 0.01 1 153 51 33 SER HA H 4.29 0.01 1 154 51 33 SER CA C 57.97 0.01 1 155 51 33 SER CB C 61.67 0.01 1 156 51 33 SER N N 117.02 0.01 1 157 52 34 THR H H 8.66 0.01 1 158 52 34 THR HA H 4.79 0.01 1 159 52 34 THR HG2 H 1.24 0.01 1 160 52 34 THR CA C 56.67 0.01 1 161 52 34 THR CB C 69.74 0.01 1 162 52 34 THR N N 118.21 0.01 1 163 53 35 ASP H H 8.60 0.01 1 164 53 35 ASP CA C 53.97 0.01 1 165 53 35 ASP CB C 37.49 0.01 1 166 53 35 ASP N N 117.12 0.01 1 167 54 36 THR H H 7.75 0.01 1 168 54 36 THR HA H 4.35 0.01 1 169 54 36 THR CA C 59.86 0.01 1 170 54 36 THR CB C 66.97 0.01 1 171 54 36 THR N N 107.80 0.01 1 172 55 37 THR H H 7.51 0.01 1 173 55 37 THR HA H 4.39 0.01 1 174 55 37 THR HB H 3.91 0.01 1 175 55 37 THR HG2 H 1.04 0.01 1 176 55 37 THR CA C 58.67 0.01 1 177 55 37 THR CB C 67.23 0.01 1 178 55 37 THR N N 120.26 0.01 1 179 56 38 LYS H H 8.68 0.01 1 180 56 38 LYS HA H 4.55 0.01 1 181 56 38 LYS HB2 H 1.71 0.01 2 182 56 38 LYS HG2 H 1.39 0.01 2 183 56 38 LYS CA C 52.76 0.01 1 184 56 38 LYS CB C 29.37 0.01 1 185 56 38 LYS N N 128.59 0.01 1 186 57 39 THR H H 7.91 0.01 1 187 57 39 THR HA H 4.38 0.01 1 188 57 39 THR HG2 H 1.59 0.01 1 189 57 39 THR CA C 56.92 0.01 1 190 57 39 THR CB C 66.90 0.01 1 191 57 39 THR N N 114.81 0.01 1 192 58 40 HIS H H 8.23 0.01 1 193 58 40 HIS HA H 5.13 0.01 1 194 58 40 HIS HB2 H 3.18 0.01 2 195 58 40 HIS HB3 H 2.21 0.01 2 196 58 40 HIS CA C 51.92 0.01 1 197 58 40 HIS CB C 29.30 0.01 1 198 58 40 HIS N N 117.77 0.01 1 199 59 41 PRO CA C 60.44 0.01 1 200 60 42 THR H H 8.94 0.01 1 201 60 42 THR HA H 5.39 0.01 1 202 60 42 THR HB H 3.78 0.01 1 203 60 42 THR HG2 H 0.98 0.01 1 204 60 42 THR CA C 59.23 0.01 1 205 60 42 THR CB C 70.71 0.01 1 206 60 42 THR N N 119.69 0.01 1 207 61 43 ILE H H 9.16 0.01 1 208 61 43 ILE HA H 5.11 0.01 1 209 61 43 ILE CA C 55.76 0.01 1 210 61 43 ILE CB C 38.04 0.01 1 211 61 43 ILE N N 119.43 0.01 1 212 62 44 LYS H H 9.23 0.01 1 213 62 44 LYS HA H 5.30 0.01 1 214 62 44 LYS HB2 H 1.62 0.01 2 215 62 44 LYS HG2 H 1.42 0.01 2 216 62 44 LYS CA C 50.96 0.01 1 217 62 44 LYS CB C 34.86 0.01 1 218 62 44 LYS N N 122.17 0.01 1 219 63 45 ILE H H 8.85 0.01 1 220 63 45 ILE HA H 4.33 0.01 1 221 63 45 ILE HB H 2.37 0.01 1 222 63 45 ILE CA C 57.09 0.01 1 223 63 45 ILE N N 126.07 0.01 1 224 64 46 ASN H H 8.69 0.01 1 225 64 46 ASN HA H 4.47 0.01 1 226 64 46 ASN HB2 H 2.04 0.01 2 227 64 46 ASN CA C 50.29 0.01 1 228 64 46 ASN CB C 36.86 0.01 1 229 64 46 ASN N N 126.44 0.01 1 230 65 47 GLY H H 8.67 0.01 1 231 65 47 GLY CA C 42.38 0.01 1 232 65 47 GLY N N 110.94 0.01 1 233 66 48 TYR H H 7.36 0.01 1 234 66 48 TYR HA H 4.53 0.01 1 235 66 48 TYR HB2 H 2.87 0.01 2 236 66 48 TYR HB3 H 2.33 0.01 2 237 66 48 TYR CA C 56.64 0.01 1 238 66 48 TYR CB C 38.59 0.01 1 239 66 48 TYR N N 118.48 0.01 1 240 67 49 THR H H 7.25 0.01 1 241 67 49 THR HA H 3.99 0.01 1 242 67 49 THR HB H 3.68 0.01 1 243 67 49 THR HG2 H 0.88 0.01 1 244 67 49 THR CA C 58.57 0.01 1 245 67 49 THR CB C 67.96 0.01 1 246 67 49 THR N N 123.17 0.01 1 247 68 50 GLY H H 8.16 0.01 1 248 68 50 GLY HA2 H 4.26 0.01 2 249 68 50 GLY HA3 H 3.83 0.01 2 250 68 50 GLY CA C 41.42 0.01 1 251 68 50 GLY N N 113.48 0.01 1 252 69 51 PRO CA C 59.44 0.01 1 253 69 51 PRO CB C 30.05 0.01 1 254 70 52 GLY H H 8.40 0.01 1 255 70 52 GLY HA2 H 4.45 0.01 2 256 70 52 GLY HA3 H 3.95 0.01 2 257 70 52 GLY CA C 42.68 0.01 1 258 70 52 GLY N N 106.73 0.01 1 259 71 53 THR H H 9.19 0.01 1 260 71 53 THR HA H 5.02 0.01 1 261 71 53 THR HB H 3.77 0.01 1 262 71 53 THR HG2 H 1.16 0.01 1 263 71 53 THR CA C 58.67 0.01 1 264 71 53 THR CB C 70.47 0.01 1 265 71 53 THR N N 115.89 0.01 1 266 72 54 VAL H H 9.08 0.01 1 267 72 54 VAL HA H 4.89 0.01 1 268 72 54 VAL HB H 1.99 0.01 1 269 72 54 VAL HG1 H 1.11 0.01 2 270 72 54 VAL CA C 56.57 0.01 1 271 72 54 VAL CB C 31.81 0.01 1 272 72 54 VAL N N 122.10 0.01 1 273 73 55 ARG H H 8.77 0.01 1 274 73 55 ARG HA H 5.88 0.01 1 275 73 55 ARG HB2 H 1.58 0.01 2 276 73 55 ARG CA C 50.14 0.01 1 277 73 55 ARG CB C 30.81 0.01 1 278 73 55 ARG N N 127.64 0.01 1 279 74 56 ILE H H 9.46 0.01 1 280 74 56 ILE HA H 4.90 0.01 1 281 74 56 ILE HB H 1.25 0.01 1 282 74 56 ILE CA C 56.73 0.01 1 283 74 56 ILE CB C 36.95 0.01 1 284 74 56 ILE N N 126.90 0.01 1 285 75 57 SER H H 8.27 0.01 1 286 75 57 SER HA H 5.01 0.01 1 287 75 57 SER CA C 53.22 0.01 1 288 75 57 SER CB C 63.14 0.01 1 289 75 57 SER N N 119.60 0.01 1 290 76 58 LEU H H 8.86 0.01 1 291 76 58 LEU HA H 5.27 0.01 1 292 76 58 LEU HB2 H 2.25 0.01 2 293 76 58 LEU CA C 50.11 0.01 1 294 76 58 LEU CB C 40.11 0.01 1 295 76 58 LEU N N 119.05 0.01 1 296 77 59 VAL H H 8.66 0.01 1 297 77 59 VAL HA H 5.50 0.01 1 298 77 59 VAL CA C 55.23 0.01 1 299 77 59 VAL CB C 33.70 0.01 1 300 77 59 VAL N N 115.00 0.01 1 301 78 60 THR H H 8.58 0.01 1 302 78 60 THR CA C 58.99 0.01 1 303 78 60 THR CB C 67.38 0.01 1 304 78 60 THR N N 109.12 0.01 1 305 79 61 LYS H H 9.36 0.01 1 306 79 61 LYS CA C 56.39 0.01 1 307 79 61 LYS N N 120.75 0.01 1 308 80 62 ASP H H 8.36 0.01 1 309 80 62 ASP HA H 5.20 0.01 1 310 80 62 ASP HB2 H 2.66 0.01 2 311 80 62 ASP HB3 H 2.43 0.01 2 312 80 62 ASP CA C 48.13 0.01 1 313 80 62 ASP CB C 37.61 0.01 1 314 80 62 ASP N N 117.85 0.01 1 315 81 63 PRO CA C 60.78 0.01 1 316 83 65 HIS H H 8.58 0.01 1 317 83 65 HIS HA H 4.14 0.01 1 318 83 65 HIS HB2 H 2.46 0.01 2 319 83 65 HIS HB3 H 2.14 0.01 2 320 83 65 HIS CA C 54.99 0.01 1 321 83 65 HIS CB C 25.94 0.01 1 322 83 65 HIS N N 121.52 0.01 1 323 84 66 ARG H H 7.88 0.01 1 324 84 66 ARG HA H 4.00 0.01 1 325 84 66 ARG CA C 60.81 0.01 1 326 84 66 ARG CB C 35.23 0.01 1 327 84 66 ARG N N 118.89 0.01 1 328 85 67 PRO CA C 59.44 0.01 1 329 86 68 HIS H H 8.22 0.01 1 330 86 68 HIS HA H 4.91 0.01 1 331 86 68 HIS HB2 H 3.03 0.01 2 332 86 68 HIS CA C 54.29 0.01 1 333 86 68 HIS CB C 36.57 0.01 1 334 86 68 HIS N N 114.29 0.01 1 335 87 69 PRO CA C 61.62 0.01 1 336 88 70 HIS H H 10.22 0.01 1 337 88 70 HIS HA H 4.98 0.01 1 338 88 70 HIS HB2 H 2.70 0.01 2 339 88 70 HIS CA C 52.22 0.01 1 340 88 70 HIS CB C 27.35 0.01 1 341 88 70 HIS N N 121.03 0.01 1 342 89 71 GLU H H 8.36 0.01 1 343 89 71 GLU HA H 4.52 0.01 1 344 89 71 GLU HB2 H 1.78 0.01 2 345 89 71 GLU CA C 51.97 0.01 1 346 89 71 GLU CB C 30.81 0.01 1 347 89 71 GLU N N 114.51 0.01 1 348 90 72 LEU H H 7.60 0.01 1 349 90 72 LEU HA H 5.09 0.01 1 350 90 72 LEU HB2 H 1.32 0.01 2 351 90 72 LEU CA C 51.34 0.01 1 352 90 72 LEU CB C 39.93 0.01 1 353 90 72 LEU N N 122.04 0.01 1 354 91 73 VAL H H 8.24 0.01 1 355 91 73 VAL HA H 4.27 0.01 1 356 91 73 VAL CA C 56.22 0.01 1 357 91 73 VAL CB C 32.54 0.01 1 358 91 73 VAL N N 114.75 0.01 1 359 92 74 GLY H H 7.97 0.01 1 360 92 74 GLY HA2 H 4.92 0.01 2 361 92 74 GLY HA3 H 3.62 0.01 2 362 92 74 GLY CA C 40.02 0.01 1 363 92 74 GLY N N 107.03 0.01 1 364 93 75 LYS H H 8.07 0.01 1 365 93 75 LYS HA H 4.04 0.01 1 366 93 75 LYS HB2 H 1.60 0.01 2 367 93 75 LYS CA C 55.20 0.01 1 368 93 75 LYS CB C 29.61 0.01 1 369 93 75 LYS N N 121.85 0.01 1 370 94 76 ASP H H 8.27 0.01 1 371 94 76 ASP CA C 54.29 0.01 1 372 94 76 ASP N N 120.94 0.01 1 373 95 77 CYS H H 7.60 0.01 1 374 95 77 CYS HA H 5.47 0.01 1 375 95 77 CYS HB2 H 2.98 0.01 2 376 95 77 CYS CA C 55.16 0.01 1 377 95 77 CYS CB C 26.90 0.01 1 378 95 77 CYS N N 113.34 0.01 1 379 96 78 ARG H H 8.89 0.01 1 380 96 78 ARG HA H 4.65 0.01 1 381 96 78 ARG HB2 H 1.61 0.01 2 382 96 78 ARG HG2 H 1.24 0.01 2 383 96 78 ARG CA C 52.11 0.01 1 384 96 78 ARG CB C 28.45 0.01 1 385 96 78 ARG N N 123.41 0.01 1 386 97 79 ASP H H 8.69 0.01 1 387 97 79 ASP HA H 4.14 0.01 1 388 97 79 ASP HB2 H 2.87 0.01 2 389 97 79 ASP HB3 H 2.56 0.01 2 390 97 79 ASP CA C 52.25 0.01 1 391 97 79 ASP CB C 37.24 0.01 1 392 97 79 ASP N N 116.61 0.01 1 393 98 80 GLY H H 8.43 0.01 1 394 98 80 GLY HA2 H 4.20 0.01 2 395 98 80 GLY HA3 H 3.73 0.01 2 396 98 80 GLY CA C 42.50 0.01 1 397 98 80 GLY N N 102.82 0.01 1 398 99 81 TYR H H 8.02 0.01 1 399 99 81 TYR HA H 5.27 0.01 1 400 99 81 TYR CA C 52.29 0.01 1 401 99 81 TYR CB C 37.67 0.01 1 402 99 81 TYR N N 120.53 0.01 1 403 100 82 TYR H H 8.79 0.01 1 404 100 82 TYR HA H 4.91 0.01 1 405 100 82 TYR HB2 H 2.56 0.01 2 406 100 82 TYR CA C 53.87 0.01 1 407 100 82 TYR CB C 37.73 0.01 1 408 100 82 TYR N N 121.13 0.01 1 409 101 83 GLU H H 7.87 0.01 1 410 101 83 GLU HA H 5.34 0.01 1 411 101 83 GLU HB2 H 1.93 0.01 2 412 101 83 GLU CA C 53.78 0.01 1 413 101 83 GLU CB C 30.42 0.01 1 414 101 83 GLU N N 128.08 0.01 1 415 102 84 ALA H H 8.48 0.01 1 416 102 84 ALA HA H 4.52 0.01 1 417 102 84 ALA HB H 1.30 0.01 1 418 102 84 ALA CA C 47.83 0.01 1 419 102 84 ALA CB C 20.38 0.01 1 420 102 84 ALA N N 126.83 0.01 1 421 103 85 ASP H H 8.27 0.01 1 422 103 85 ASP HA H 4.95 0.01 1 423 103 85 ASP HB2 H 2.74 0.01 2 424 103 85 ASP HB3 H 2.46 0.01 2 425 103 85 ASP CA C 51.41 0.01 1 426 103 85 ASP CB C 38.04 0.01 1 427 103 85 ASP N N 118.35 0.01 1 428 104 86 LEU H H 8.28 0.01 1 429 104 86 LEU HA H 4.16 0.01 1 430 104 86 LEU HB2 H 1.22 0.01 2 431 104 86 LEU CA C 50.43 0.01 1 432 104 86 LEU CB C 39.93 0.01 1 433 104 86 LEU N N 122.07 0.01 1 434 106 88 PRO CA C 61.23 0.01 1 435 107 89 ASP H H 7.82 0.01 1 436 107 89 ASP HA H 4.52 0.01 1 437 107 89 ASP HB2 H 2.60 0.01 2 438 107 89 ASP CA C 50.50 0.01 1 439 107 89 ASP CB C 38.65 0.01 1 440 107 89 ASP N N 116.08 0.01 1 441 108 90 ARG H H 7.33 0.01 1 442 108 90 ARG HA H 4.66 0.01 1 443 108 90 ARG HB2 H 1.76 0.01 2 444 108 90 ARG HB3 H 1.58 0.01 2 445 108 90 ARG CA C 51.24 0.01 1 446 108 90 ARG CB C 30.83 0.01 1 447 108 90 ARG N N 116.21 0.01 1 448 109 91 SER H H 8.40 0.01 1 449 109 91 SER CA C 55.23 0.01 1 450 109 91 SER N N 111.95 0.01 1 451 110 92 ILE H H 6.47 0.01 1 452 110 92 ILE HA H 4.66 0.01 1 453 110 92 ILE HB H 1.40 0.01 1 454 110 92 ILE CA C 57.06 0.01 1 455 110 92 ILE N N 121.21 0.01 1 456 111 93 HIS H H 8.60 0.01 1 457 111 93 HIS HA H 4.54 0.01 1 458 111 93 HIS HB2 H 2.51 0.01 2 459 111 93 HIS CA C 52.22 0.01 1 460 111 93 HIS CB C 30.69 0.01 1 461 111 93 HIS N N 125.28 0.01 1 462 112 94 SER H H 8.49 0.01 1 463 112 94 SER HA H 5.05 0.01 1 464 112 94 SER HB2 H 3.54 0.01 2 465 112 94 SER HB3 H 3.41 0.01 2 466 112 94 SER CA C 53.34 0.01 1 467 112 94 SER CB C 63.38 0.01 1 468 112 94 SER N N 119.08 0.01 1 469 113 95 PHE H H 7.72 0.01 1 470 113 95 PHE HA H 4.58 0.01 1 471 113 95 PHE HB2 H 2.73 0.01 2 472 113 95 PHE HB3 H 2.51 0.01 2 473 113 95 PHE CA C 54.15 0.01 1 474 113 95 PHE CB C 36.39 0.01 1 475 113 95 PHE N N 120.93 0.01 1 476 114 96 GLN H H 8.28 0.01 1 477 114 96 GLN HA H 4.32 0.01 1 478 114 96 GLN CA C 53.00 0.01 1 479 114 96 GLN CB C 25.98 0.01 1 480 114 96 GLN N N 120.93 0.01 1 481 115 97 ASN H H 8.87 0.01 1 482 115 97 ASN HA H 4.96 0.01 1 483 115 97 ASN HB2 H 3.09 0.01 2 484 115 97 ASN HB3 H 2.63 0.01 2 485 115 97 ASN CA C 50.11 0.01 1 486 115 97 ASN CB C 36.94 0.01 1 487 115 97 ASN N N 117.99 0.01 1 488 116 98 LEU H H 8.31 0.01 1 489 116 98 LEU HA H 4.13 0.01 1 490 116 98 LEU HB2 H 1.79 0.01 2 491 116 98 LEU HB3 H 0.84 0.01 2 492 116 98 LEU CA C 51.55 0.01 1 493 116 98 LEU CB C 40.23 0.01 1 494 116 98 LEU N N 120.98 0.01 1 495 117 99 GLY H H 8.47 0.01 1 496 117 99 GLY HA2 H 4.51 0.01 2 497 117 99 GLY HA3 H 3.39 0.01 2 498 117 99 GLY CA C 40.22 0.01 1 499 117 99 GLY N N 110.10 0.01 1 500 118 100 ILE H H 7.68 0.01 1 501 118 100 ILE HA H 4.55 0.01 1 502 118 100 ILE HB H 1.03 0.01 1 503 118 100 ILE CA C 57.30 0.01 1 504 118 100 ILE CB C 36.94 0.01 1 505 118 100 ILE N N 117.96 0.01 1 506 119 101 GLN H H 9.29 0.01 1 507 119 101 GLN HA H 5.13 0.01 1 508 119 101 GLN HB2 H 1.98 0.01 2 509 119 101 GLN HB3 H 1.82 0.01 2 510 119 101 GLN CA C 50.01 0.01 1 511 119 101 GLN CB C 30.42 0.01 1 512 119 101 GLN N N 129.34 0.01 1 513 120 102 CYS H H 8.32 0.01 1 514 120 102 CYS HA H 3.84 0.01 1 515 120 102 CYS HB2 H 2.10 0.01 2 516 120 102 CYS CA C 52.50 0.01 1 517 120 102 CYS CB C 25.70 0.01 1 518 120 102 CYS N N 123.37 0.01 1 519 121 103 VAL H H 8.86 0.01 1 520 121 103 VAL HA H 4.42 0.01 1 521 121 103 VAL HG1 H 0.96 0.01 2 522 121 103 VAL CA C 58.01 0.01 1 523 121 103 VAL CB C 30.22 0.01 1 524 121 103 VAL N N 121.81 0.01 1 525 122 104 LYS H H 8.61 0.01 1 526 122 104 LYS HA H 4.43 0.01 1 527 122 104 LYS HB2 H 1.90 0.01 2 528 122 104 LYS HB3 H 1.72 0.01 2 529 122 104 LYS CA C 52.99 0.01 1 530 122 104 LYS CB C 30.40 0.01 1 531 122 104 LYS N N 123.09 0.01 1 532 123 105 LYS H H 8.65 0.01 1 533 123 105 LYS HA H 3.89 0.01 1 534 123 105 LYS HB2 H 1.69 0.01 2 535 123 105 LYS CA C 53.01 0.01 1 536 123 105 LYS CB C 30.24 0.01 1 537 123 105 LYS N N 123.34 0.01 1 538 124 106 ARG CA C 54.67 0.01 1 539 125 107 ASP H H 7.79 0.01 1 540 125 107 ASP HA H 4.92 0.01 1 541 125 107 ASP HB2 H 2.98 0.01 2 542 125 107 ASP HB3 H 2.60 0.01 2 543 125 107 ASP CA C 51.23 0.01 1 544 125 107 ASP CB C 38.83 0.01 1 545 125 107 ASP N N 118.84 0.01 1 546 126 108 LEU H H 7.56 0.01 1 547 126 108 LEU HA H 3.81 0.01 1 548 126 108 LEU CA C 55.67 0.01 1 549 126 108 LEU CB C 39.75 0.01 1 550 126 108 LEU N N 121.96 0.01 1 551 127 109 GLU H H 8.59 0.01 1 552 127 109 GLU HA H 3.93 0.01 1 553 127 109 GLU HB2 H 2.27 0.01 2 554 127 109 GLU HB3 H 2.01 0.01 2 555 127 109 GLU CA C 56.57 0.01 1 556 127 109 GLU CB C 25.90 0.01 1 557 127 109 GLU N N 117.86 0.01 1 558 128 110 GLN H H 8.04 0.01 1 559 128 110 GLN HA H 4.12 0.01 1 560 128 110 GLN HB2 H 2.37 0.01 2 561 128 110 GLN HB3 H 2.08 0.01 2 562 128 110 GLN CA C 55.06 0.01 1 563 128 110 GLN CB C 25.33 0.01 1 564 128 110 GLN N N 119.71 0.01 1 565 129 111 ALA H H 7.95 0.01 1 566 129 111 ALA HA H 4.16 0.01 1 567 129 111 ALA HB H 1.52 0.01 1 568 129 111 ALA CA C 51.73 0.01 1 569 129 111 ALA CB C 15.80 0.01 1 570 129 111 ALA N N 124.05 0.01 1 571 130 112 ILE H H 8.23 0.01 1 572 130 112 ILE HA H 3.60 0.01 1 573 130 112 ILE HB H 1.88 0.01 1 574 130 112 ILE CA C 60.54 0.01 1 575 130 112 ILE CB C 34.13 0.01 1 576 130 112 ILE N N 117.77 0.01 1 577 131 113 SER H H 8.00 0.01 1 578 131 113 SER HA H 4.87 0.01 1 579 131 113 SER HB2 H 3.81 0.01 2 580 131 113 SER CA C 58.38 0.01 1 581 131 113 SER CB C 62.47 0.01 1 582 131 113 SER N N 115.25 0.01 1 583 132 114 GLN H H 8.01 0.01 1 584 132 114 GLN HA H 4.19 0.01 1 585 132 114 GLN HB2 H 2.23 0.01 2 586 132 114 GLN CA C 55.44 0.01 1 587 132 114 GLN CB C 25.51 0.01 1 588 132 114 GLN N N 121.35 0.01 1 589 133 115 ARG H H 8.27 0.01 1 590 133 115 ARG HA H 4.18 0.01 1 591 133 115 ARG HB2 H 2.21 0.01 2 592 133 115 ARG HB3 H 1.92 0.01 2 593 133 115 ARG CA C 54.62 0.01 1 594 133 115 ARG N N 120.93 0.01 1 595 134 116 ILE H H 8.81 0.01 1 596 134 116 ILE HA H 4.50 0.01 1 597 134 116 ILE HB H 2.02 0.01 1 598 134 116 ILE CA C 58.56 0.01 1 599 134 116 ILE CB C 36.63 0.01 1 600 134 116 ILE N N 122.75 0.01 1 601 135 117 GLN H H 8.00 0.01 1 602 135 117 GLN HA H 4.38 0.01 1 603 135 117 GLN HG2 H 2.99 0.01 2 604 135 117 GLN HB3 H 2.69 0.01 2 605 135 117 GLN CA C 50.85 0.01 1 606 135 117 GLN CB C 34.37 0.01 1 607 135 117 GLN N N 118.10 0.01 1 608 136 118 THR H H 7.62 0.01 1 609 136 118 THR HA H 4.22 0.01 1 610 136 118 THR HB H 4.04 0.01 1 611 136 118 THR HG2 H 1.07 0.01 1 612 136 118 THR CA C 60.14 0.01 1 613 136 118 THR CB C 67.46 0.01 1 614 136 118 THR N N 118.52 0.01 1 615 137 119 ASN H H 8.30 0.01 1 616 137 119 ASN HA H 4.18 0.01 1 617 137 119 ASN CA C 53.55 0.01 1 618 137 119 ASN N N 126.11 0.01 1 619 138 120 ASN CA C 55.22 0.01 1 620 139 121 ASN H H 8.84 0.01 1 621 139 121 ASN HA H 4.22 0.01 1 622 139 121 ASN HB2 H 2.82 0.01 2 623 139 121 ASN CA C 54.26 0.01 1 624 139 121 ASN N N 117.99 0.01 1 625 140 122 PRO CA C 61.74 0.01 1 626 141 123 PHE H H 8.85 0.01 1 627 141 123 PHE HA H 4.38 0.01 1 628 141 123 PHE HB2 H 2.24 0.01 2 629 141 123 PHE CA C 54.74 0.01 1 630 141 123 PHE N N 113.98 0.01 1 631 142 124 HIS H H 7.88 0.01 1 632 142 124 HIS HA H 3.97 0.01 1 633 142 124 HIS HB2 H 3.21 0.01 2 634 142 124 HIS HB3 H 3.11 0.01 2 635 142 124 HIS CA C 53.02 0.01 1 636 142 124 HIS CB C 23.68 0.01 1 637 142 124 HIS N N 117.77 0.01 1 638 143 125 VAL H H 7.96 0.01 1 639 143 125 VAL HA H 4.23 0.01 1 640 143 125 VAL HB H 1.94 0.01 1 641 143 125 VAL HG1 H 0.94 0.01 2 642 143 125 VAL CA C 57.69 0.01 1 643 143 125 VAL CB C 29.42 0.01 1 644 143 125 VAL N N 120.46 0.01 1 645 144 126 PRO CA C 60.19 0.01 1 646 145 127 ILE H H 8.51 0.01 1 647 145 127 ILE HA H 3.83 0.01 1 648 145 127 ILE HB H 1.84 0.01 1 649 145 127 ILE CA C 60.43 0.01 1 650 145 127 ILE CB C 35.04 0.01 1 651 145 127 ILE N N 123.41 0.01 1 652 146 128 GLU H H 9.11 0.01 1 653 146 128 GLU HA H 4.07 0.01 1 654 146 128 GLU HB2 H 1.97 0.01 2 655 146 128 GLU CA C 55.30 0.01 1 656 146 128 GLU CB C 25.94 0.01 1 657 146 128 GLU N N 121.15 0.01 1 658 147 129 GLU H H 7.75 0.01 1 659 147 129 GLU HA H 4.27 0.01 1 660 147 129 GLU HB2 H 2.15 0.01 2 661 147 129 GLU HB3 H 1.78 0.01 2 662 147 129 GLU CA C 53.41 0.01 1 663 147 129 GLU CB C 26.92 0.01 1 664 147 129 GLU N N 117.59 0.01 1 665 148 130 GLN H H 7.81 0.01 1 666 148 130 GLN HA H 4.26 0.01 1 667 148 130 GLN HB2 H 2.15 0.01 2 668 148 130 GLN HG2 H 2.36 0.01 2 669 148 130 GLN CA C 53.13 0.01 1 670 148 130 GLN CB C 25.09 0.01 1 671 148 130 GLN N N 120.61 0.01 1 672 149 131 ARG H H 7.70 0.01 1 673 149 131 ARG HA H 4.40 0.01 1 674 149 131 ARG CA C 52.80 0.01 1 675 149 131 ARG CB C 27.96 0.01 1 676 149 131 ARG N N 118.69 0.01 1 677 150 132 GLY H H 8.21 0.01 1 678 150 132 GLY HA2 H 3.85 0.01 2 679 150 132 GLY CA C 41.49 0.01 1 680 150 132 GLY N N 108.89 0.01 1 681 151 133 ASP H H 8.25 0.01 1 682 151 133 ASP HA H 4.59 0.01 1 683 151 133 ASP HB2 H 2.56 0.01 2 684 151 133 ASP HB3 H 2.47 0.01 2 685 151 133 ASP CA C 51.31 0.01 1 686 151 133 ASP CB C 38.40 0.01 1 687 151 133 ASP N N 120.15 0.01 1 688 152 134 TYR H H 8.37 0.01 1 689 152 134 TYR HA H 4.39 0.01 1 690 152 134 TYR HB2 H 2.51 0.01 2 691 152 134 TYR HB3 H 2.25 0.01 2 692 152 134 TYR CA C 55.06 0.01 1 693 152 134 TYR CB C 38.28 0.01 1 694 152 134 TYR N N 120.36 0.01 1 695 153 135 ASP H H 8.97 0.01 1 696 153 135 ASP CA C 50.67 0.01 1 697 153 135 ASP CB C 37.30 0.01 1 698 153 135 ASP N N 121.14 0.01 1 699 154 136 LEU H H 9.09 0.01 1 700 154 136 LEU HA H 4.23 0.01 1 701 154 136 LEU CA C 52.18 0.01 1 702 154 136 LEU CB C 37.24 0.01 1 703 154 136 LEU N N 124.89 0.01 1 704 155 137 ASN H H 9.06 0.01 1 705 155 137 ASN HA H 4.91 0.01 1 706 155 137 ASN HB2 H 3.16 0.01 2 707 155 137 ASN HB3 H 3.05 0.01 2 708 155 137 ASN CA C 51.03 0.01 1 709 155 137 ASN CB C 37.12 0.01 1 710 155 137 ASN N N 117.78 0.01 1 711 156 138 ALA H H 7.15 0.01 1 712 156 138 ALA HA H 5.65 0.01 1 713 156 138 ALA HB H 1.06 0.01 1 714 156 138 ALA CA C 47.87 0.01 1 715 156 138 ALA CB C 21.18 0.01 1 716 156 138 ALA N N 119.42 0.01 1 717 157 139 VAL H H 8.36 0.01 1 718 157 139 VAL HA H 4.59 0.01 1 719 157 139 VAL CA C 55.34 0.01 1 720 157 139 VAL CB C 33.55 0.01 1 721 157 139 VAL N N 110.38 0.01 1 722 158 140 ARG H H 8.27 0.01 1 723 158 140 ARG HA H 4.27 0.01 1 724 158 140 ARG HB2 H 1.00 0.01 2 725 158 140 ARG CA C 52.22 0.01 1 726 158 140 ARG CB C 30.77 0.01 1 727 158 140 ARG N N 115.33 0.01 1 728 159 141 LEU H H 8.13 0.01 1 729 159 141 LEU HA H 4.54 0.01 1 730 159 141 LEU HB3 H 2.40 0.01 2 731 159 141 LEU CA C 50.94 0.01 1 732 159 141 LEU N N 117.34 0.01 1 733 160 142 CYS H H 8.93 0.01 1 734 160 142 CYS HA H 5.05 0.01 1 735 160 142 CYS HB2 H 2.64 0.01 2 736 160 142 CYS HB3 H 2.30 0.01 2 737 160 142 CYS CA C 53.87 0.01 1 738 160 142 CYS CB C 39.62 0.01 1 739 160 142 CYS N N 121.40 0.01 1 740 161 143 PHE H H 9.42 0.01 1 741 161 143 PHE HA H 4.62 0.01 1 742 161 143 PHE HB2 H 3.12 0.01 2 743 161 143 PHE CA C 54.68 0.01 1 744 161 143 PHE CB C 36.95 0.01 1 745 161 143 PHE N N 128.41 0.01 1 746 162 144 GLN H H 9.47 0.01 1 747 162 144 GLN HA H 4.79 0.01 1 748 162 144 GLN HB2 H 2.06 0.01 2 749 162 144 GLN HB3 H 1.87 0.01 2 750 162 144 GLN CA C 51.46 0.01 1 751 162 144 GLN CB C 28.04 0.01 1 752 162 144 GLN N N 125.33 0.01 1 753 163 145 VAL H H 9.23 0.01 1 754 163 145 VAL HA H 4.74 0.01 1 755 163 145 VAL HB H 1.82 0.01 1 756 163 145 VAL HG1 H 0.77 0.01 2 757 163 145 VAL CA C 58.45 0.01 1 758 163 145 VAL N N 130.06 0.01 1 759 164 146 THR H H 9.09 0.01 1 760 164 146 THR HA H 3.92 0.01 1 761 164 146 THR HG2 H 1.06 0.01 1 762 164 146 THR CA C 58.67 0.01 1 763 164 146 THR CB C 66.29 0.01 1 764 164 146 THR N N 125.50 0.01 1 765 165 147 VAL H H 8.66 0.01 1 766 165 147 VAL HA H 4.53 0.01 1 767 165 147 VAL CA C 55.13 0.01 1 768 165 147 VAL CB C 26.86 0.01 1 769 165 147 VAL N N 118.50 0.01 1 770 166 148 ARG H H 6.49 0.01 1 771 166 148 ARG HA H 5.17 0.01 1 772 166 148 ARG HB2 H 1.88 0.01 2 773 166 148 ARG HG2 H 1.55 0.01 2 774 166 148 ARG CA C 50.46 0.01 1 775 166 148 ARG CB C 30.40 0.01 1 776 166 148 ARG N N 120.09 0.01 1 777 167 149 ASP H H 8.89 0.01 1 778 167 149 ASP HA H 4.31 0.01 1 779 167 149 ASP CA C 49.20 0.01 1 780 167 149 ASP CB C 37.06 0.01 1 781 167 149 ASP N N 123.41 0.01 1 782 168 150 PRO CA C 62.67 0.01 1 783 169 151 ALA H H 7.79 0.01 1 784 169 151 ALA HA H 4.47 0.01 1 785 169 151 ALA HB H 1.42 0.01 1 786 169 151 ALA CA C 48.22 0.01 1 787 169 151 ALA CB C 15.56 0.01 1 788 169 151 ALA N N 118.53 0.01 1 789 170 152 GLY H H 8.49 0.01 1 790 170 152 GLY HA2 H 4.23 0.01 2 791 170 152 GLY HA3 H 3.58 0.01 2 792 170 152 GLY CA C 42.12 0.01 1 793 170 152 GLY N N 108.41 0.01 1 794 171 153 ARG H H 8.47 0.01 1 795 171 153 ARG HA H 4.53 0.01 1 796 171 153 ARG HB2 H 1.89 0.01 2 797 171 153 ARG HG2 H 1.72 0.01 2 798 171 153 ARG CA C 50.96 0.01 1 799 171 153 ARG CB C 25.76 0.01 1 800 171 153 ARG N N 123.35 0.01 1 801 172 154 PRO CA C 60.47 0.01 1 802 173 155 LEU H H 7.77 0.01 1 803 173 155 LEU HA H 4.50 0.01 1 804 173 155 LEU HB2 H 1.15 0.01 2 805 173 155 LEU CA C 50.38 0.01 1 806 173 155 LEU CB C 41.70 0.01 1 807 173 155 LEU N N 126.86 0.01 1 808 174 156 LEU H H 8.64 0.01 1 809 174 156 LEU HA H 4.46 0.01 1 810 174 156 LEU HB2 H 1.59 0.01 2 811 174 156 LEU HB3 H 1.39 0.01 2 812 174 156 LEU CA C 52.59 0.01 1 813 174 156 LEU CB C 38.80 0.01 1 814 174 156 LEU N N 130.38 0.01 1 815 175 157 LEU H H 8.50 0.01 1 816 175 157 LEU HA H 4.51 0.01 1 817 175 157 LEU HB2 H 1.94 0.01 2 818 175 157 LEU CA C 50.32 0.01 1 819 175 157 LEU CB C 37.73 0.01 1 820 175 157 LEU N N 125.17 0.01 1 821 176 158 THR H H 8.12 0.01 1 822 176 158 THR HA H 4.30 0.01 1 823 176 158 THR CA C 59.20 0.01 1 824 176 158 THR CB C 66.93 0.01 1 825 176 158 THR N N 119.46 0.01 1 826 177 159 PRO CA C 60.14 0.01 1 827 178 160 VAL H H 7.94 0.01 1 828 178 160 VAL HA H 4.72 0.01 1 829 178 160 VAL HB H 1.95 0.01 1 830 178 160 VAL HG1 H 1.01 0.01 2 831 178 160 VAL CA C 57.23 0.01 1 832 178 160 VAL CB C 32.84 0.01 1 833 178 160 VAL N N 116.41 0.01 1 834 179 161 LEU H H 8.74 0.01 1 835 179 161 LEU HA H 5.42 0.01 1 836 179 161 LEU HB2 H 1.71 0.01 2 837 179 161 LEU HB3 H 1.34 0.01 2 838 179 161 LEU CA C 49.76 0.01 1 839 179 161 LEU CB C 41.88 0.01 1 840 179 161 LEU N N 125.20 0.01 1 841 180 162 SER H H 9.05 0.01 1 842 180 162 SER HA H 4.79 0.01 1 843 180 162 SER CA C 55.02 0.01 1 844 180 162 SER CB C 63.51 0.01 1 845 180 162 SER N N 116.55 0.01 1 846 181 163 HIS H H 8.46 0.01 1 847 181 163 HIS HA H 4.94 0.01 1 848 181 163 HIS CA C 50.71 0.01 1 849 181 163 HIS CB C 26.61 0.01 1 850 181 163 HIS N N 117.87 0.01 1 851 182 164 PRO CA C 60.39 0.01 1 852 182 164 PRO CB C 28.45 0.01 1 853 183 165 ILE H H 8.66 0.01 1 854 183 165 ILE HA H 4.39 0.01 1 855 183 165 ILE HB H 1.49 0.01 1 856 183 165 ILE CA C 57.34 0.01 1 857 183 165 ILE CB C 37.67 0.01 1 858 183 165 ILE N N 119.39 0.01 1 859 184 166 PHE H H 8.97 0.01 1 860 184 166 PHE HA H 5.36 0.01 1 861 184 166 PHE HB2 H 3.08 0.01 2 862 184 166 PHE HB3 H 2.70 0.01 2 863 184 166 PHE CA C 53.09 0.01 1 864 184 166 PHE CB C 38.89 0.01 1 865 184 166 PHE N N 123.13 0.01 1 866 185 167 ASP H H 8.20 0.01 1 867 185 167 ASP HA H 4.52 0.01 1 868 185 167 ASP HB3 H 2.62 0.01 2 869 185 167 ASP CA C 50.92 0.01 1 870 185 167 ASP CB C 37.79 0.01 1 871 185 167 ASP N N 122.60 0.01 1 872 186 168 ASN H H 8.15 0.01 1 873 186 168 ASN HA H 4.64 0.01 1 874 186 168 ASN HB2 H 2.53 0.01 2 875 186 168 ASN CA C 49.52 0.01 1 876 186 168 ASN CB C 35.35 0.01 1 877 186 168 ASN N N 124.42 0.01 1 878 187 169 ARG H H 7.83 0.01 1 879 187 169 ARG HA H 4.12 0.01 1 880 187 169 ARG HB2 H 1.72 0.01 2 881 187 169 ARG HB3 H 1.59 0.01 2 882 187 169 ARG CA C 52.74 0.01 1 883 187 169 ARG CB C 27.96 0.01 1 884 187 169 ARG N N 121.08 0.01 1 885 188 170 ALA H H 8.09 0.01 1 886 188 170 ALA HA H 4.50 0.01 1 887 188 170 ALA HB H 1.33 0.01 1 888 188 170 ALA CA C 47.38 0.01 1 889 188 170 ALA CB C 14.74 0.01 1 890 188 170 ALA N N 126.41 0.01 1 891 189 171 PRO CA C 60.32 0.01 1 892 189 171 PRO CB C 29.00 0.01 1 893 190 172 ASN H H 8.52 0.01 1 894 190 172 ASN HA H 4.66 0.01 1 895 190 172 ASN HB2 H 2.79 0.01 2 896 190 172 ASN CA C 50.60 0.01 1 897 190 172 ASN CB C 35.41 0.01 1 898 190 172 ASN N N 117.61 0.01 1 899 191 173 THR H H 7.55 0.01 1 900 191 173 THR HA H 4.14 0.01 1 901 191 173 THR HG2 H 1.10 0.01 1 902 191 173 THR CA C 60.14 0.01 1 903 191 173 THR CB C 68.27 0.01 1 904 191 173 THR N N 117.60 0.01 1 stop_ save_