data_16959 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of the Talin F1F2 double domain (residues 86-303 (delta D139-D168)) ; _BMRB_accession_number 16959 _BMRB_flat_file_name bmr16959.str _Entry_type original _Submission_date 2010-05-27 _Accession_date 2010-05-27 _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 Goult Ben T. . 2 Barsukov Igor L. . 3 Roberts Gordon C.K. . 4 Critchley David R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 185 "13C chemical shifts" 558 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-10 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15457 'domain, 1655-1822' 15458 'F0 domain (residues 1-85)' 15615 'F0F1 double domain' 15616 F1 15625 'Residues 1815-1973' 16930 'F2 domain (residues 196-309)' 16932 'F2F3 domain (residues 196-405)' 17070 'domain C' stop_ _Original_release_date 2014-03-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Structure of the talin head reveals a novel extended conformation of the FERM domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20947018 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elliott Paul R. . 2 Goult Benjamin T. . 3 Kopp Petra M. . 4 Bate Neil . . 5 Grossmann J. G. . 6 Roberts Gordon C.K. . 7 Critchley David R. . 8 Barsukov Igor L. . stop_ _Journal_abbreviation Structure _Journal_volume 18 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1288 _Page_last 1299 _Year 2010 _Details . loop_ _Keyword cytoskeleton dynamics 'focal adhesion' integrin talin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name F1F2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label F1F2 $F1F2 stop_ _System_molecular_weight 22616.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Actin binding' 'Integrin activation' 'Phospholipid binding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_F1F2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F1F2 _Molecular_mass 22616.8 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 194 _Mol_residue_sequence ; GIDPFTRPLKIRMLDGTVKT IMVDDSKTVTDMLMTICARI GITNHDEYSLVRELMEEKKD ELNWLDHGRTLREQGVEEHE TLLLRRKFFYSDQNVDSRDP VQLNLLYVQARDDILNGSHP VSFDKACEFAGFQCQIQFGP HNEQKHKAGFLDLKDFLPKE YVKQKGERKIFQAHKNCGQM SEIEAKVRYVKLAR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 ASP 4 PRO 5 PHE 6 THR 7 ARG 8 PRO 9 LEU 10 LYS 11 ILE 12 ARG 13 MET 14 LEU 15 ASP 16 GLY 17 THR 18 VAL 19 LYS 20 THR 21 ILE 22 MET 23 VAL 24 ASP 25 ASP 26 SER 27 LYS 28 THR 29 VAL 30 THR 31 ASP 32 MET 33 LEU 34 MET 35 THR 36 ILE 37 CYS 38 ALA 39 ARG 40 ILE 41 GLY 42 ILE 43 THR 44 ASN 45 HIS 46 ASP 47 GLU 48 TYR 49 SER 50 LEU 51 VAL 52 ARG 53 GLU 54 LEU 55 MET 56 GLU 57 GLU 58 LYS 59 LYS 60 ASP 61 GLU 62 LEU 63 ASN 64 TRP 65 LEU 66 ASP 67 HIS 68 GLY 69 ARG 70 THR 71 LEU 72 ARG 73 GLU 74 GLN 75 GLY 76 VAL 77 GLU 78 GLU 79 HIS 80 GLU 81 THR 82 LEU 83 LEU 84 LEU 85 ARG 86 ARG 87 LYS 88 PHE 89 PHE 90 TYR 91 SER 92 ASP 93 GLN 94 ASN 95 VAL 96 ASP 97 SER 98 ARG 99 ASP 100 PRO 101 VAL 102 GLN 103 LEU 104 ASN 105 LEU 106 LEU 107 TYR 108 VAL 109 GLN 110 ALA 111 ARG 112 ASP 113 ASP 114 ILE 115 LEU 116 ASN 117 GLY 118 SER 119 HIS 120 PRO 121 VAL 122 SER 123 PHE 124 ASP 125 LYS 126 ALA 127 CYS 128 GLU 129 PHE 130 ALA 131 GLY 132 PHE 133 GLN 134 CYS 135 GLN 136 ILE 137 GLN 138 PHE 139 GLY 140 PRO 141 HIS 142 ASN 143 GLU 144 GLN 145 LYS 146 HIS 147 LYS 148 ALA 149 GLY 150 PHE 151 LEU 152 ASP 153 LEU 154 LYS 155 ASP 156 PHE 157 LEU 158 PRO 159 LYS 160 GLU 161 TYR 162 VAL 163 LYS 164 GLN 165 LYS 166 GLY 167 GLU 168 ARG 169 LYS 170 ILE 171 PHE 172 GLN 173 ALA 174 HIS 175 LYS 176 ASN 177 CYS 178 GLY 179 GLN 180 MET 181 SER 182 GLU 183 ILE 184 GLU 185 ALA 186 LYS 187 VAL 188 ARG 189 TYR 190 VAL 191 LYS 192 LEU 193 ALA 194 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-21 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 BMRB 15792 talin-F2F3 51.03 201 100.00 100.00 1.35e-65 BMRB 16930 F2 55.67 120 100.00 100.00 9.57e-73 BMRB 16932 F2F3 55.67 216 100.00 100.00 1.46e-72 PDB 3IVF "Crystal Structure Of The Talin Head Ferm Domain" 97.42 371 99.47 99.47 9.96e-133 PDB 4F7G "Crystal Structure Of Talin Autoinhibition Complex" 51.03 222 98.99 98.99 2.09e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $F1F2 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 _Variant _Vector_name $F1F2 'recombinant technology' . Escherichia coli BL21(DE3) Star Pet-151 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 $F1F2 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.1.3 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with cryoprobe' 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_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _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 . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.05 mM pH 6.5 0.05 pH pressure 1 . atm temperature 298 0.05 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 'These are the correct errors, the errors in the assignment table simply reflect the peaks used to produce the shift lists.' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '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 F1F2 _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 2 ILE C C 176.330 0.2 1 2 2 2 ILE CA C 60.963 0.2 1 3 2 2 ILE CB C 38.908 0.2 1 4 3 3 ASP H H 8.310 0.02 1 5 3 3 ASP CA C 52.086 0.2 1 6 3 3 ASP CB C 41.126 0.2 1 7 3 3 ASP N N 126.095 0.2 1 8 4 4 PRO C C 175.480 0.2 1 9 4 4 PRO CA C 63.129 0.2 1 10 4 4 PRO CB C 32.018 0.2 1 11 5 5 PHE H H 8.120 0.02 1 12 5 5 PHE C C 176.561 0.2 1 13 5 5 PHE CA C 57.280 0.2 1 14 5 5 PHE CB C 38.180 0.2 1 15 5 5 PHE N N 120.259 0.2 1 16 6 6 THR H H 7.517 0.02 1 17 6 6 THR C C 178.210 0.2 1 18 6 6 THR CA C 60.662 0.2 1 19 6 6 THR CB C 70.997 0.2 1 20 6 6 THR N N 112.400 0.2 1 21 7 7 ARG H H 8.932 0.02 1 22 7 7 ARG CA C 52.653 0.2 1 23 7 7 ARG CB C 31.470 0.2 1 24 7 7 ARG N N 121.870 0.2 1 25 8 8 PRO C C 175.898 0.2 1 26 8 8 PRO CA C 62.635 0.2 1 27 8 8 PRO CB C 31.624 0.2 1 28 9 9 LEU H H 9.105 0.02 1 29 9 9 LEU C C 177.555 0.2 1 30 9 9 LEU CA C 53.753 0.2 1 31 9 9 LEU CB C 45.624 0.2 1 32 9 9 LEU N N 129.842 0.2 1 33 10 10 LYS H H 8.507 0.02 1 34 10 10 LYS C C 177.348 0.2 1 35 10 10 LYS CA C 56.271 0.2 1 36 10 10 LYS CB C 33.002 0.2 1 37 10 10 LYS N N 127.680 0.2 1 38 11 11 ILE H H 8.801 0.02 1 39 11 11 ILE C C 177.365 0.2 1 40 11 11 ILE CA C 57.114 0.2 1 41 11 11 ILE CB C 40.624 0.2 1 42 11 11 ILE N N 122.259 0.2 1 43 12 12 ARG H H 9.230 0.02 1 44 12 12 ARG C C 176.428 0.2 1 45 12 12 ARG CA C 55.075 0.2 1 46 12 12 ARG CB C 30.912 0.2 1 47 12 12 ARG N N 127.267 0.2 1 48 13 13 MET H H 8.932 0.02 1 49 13 13 MET C C 173.600 0.2 1 50 13 13 MET CA C 53.815 0.2 1 51 13 13 MET CB C 33.538 0.2 1 52 13 13 MET N N 125.084 0.2 1 53 14 14 LEU H H 8.455 0.02 1 54 14 14 LEU C C 174.148 0.2 1 55 14 14 LEU CA C 57.882 0.2 1 56 14 14 LEU CB C 41.222 0.2 1 57 14 14 LEU N N 121.030 0.2 1 58 15 15 ASP H H 7.668 0.02 1 59 15 15 ASP C C 174.947 0.2 1 60 15 15 ASP CA C 53.209 0.2 1 61 15 15 ASP CB C 39.968 0.2 1 62 15 15 ASP N N 114.969 0.2 1 63 16 16 GLY H H 7.971 0.02 1 64 16 16 GLY C C 177.327 0.2 1 65 16 16 GLY CA C 45.223 0.2 1 66 16 16 GLY N N 107.983 0.2 1 67 17 17 THR H H 8.039 0.02 1 68 17 17 THR C C 179.038 0.2 1 69 17 17 THR CA C 62.667 0.2 1 70 17 17 THR CB C 70.196 0.2 1 71 17 17 THR N N 115.833 0.2 1 72 18 18 VAL H H 8.400 0.02 1 73 18 18 VAL C C 175.835 0.2 1 74 18 18 VAL CA C 61.388 0.2 1 75 18 18 VAL CB C 33.227 0.2 1 76 18 18 VAL N N 121.678 0.2 1 77 19 19 LYS H H 9.113 0.02 1 78 19 19 LYS C C 177.388 0.2 1 79 19 19 LYS CA C 54.022 0.2 1 80 19 19 LYS CB C 35.968 0.2 1 81 19 19 LYS N N 128.979 0.2 1 82 20 20 THR H H 8.408 0.02 1 83 20 20 THR C C 177.720 0.2 1 84 20 20 THR CA C 62.102 0.2 1 85 20 20 THR CB C 69.088 0.2 1 86 20 20 THR N N 118.313 0.2 1 87 21 21 ILE H H 9.185 0.02 1 88 21 21 ILE C C 177.612 0.2 1 89 21 21 ILE CA C 58.712 0.2 1 90 21 21 ILE CB C 40.723 0.2 1 91 21 21 ILE N N 128.198 0.2 1 92 22 22 MET H H 8.363 0.02 1 93 22 22 MET C C 175.473 0.2 1 94 22 22 MET CA C 53.515 0.2 1 95 22 22 MET CB C 30.083 0.2 1 96 22 22 MET N N 123.860 0.2 1 97 23 23 VAL H H 9.008 0.02 1 98 23 23 VAL C C 178.374 0.2 1 99 23 23 VAL CA C 59.144 0.2 1 100 23 23 VAL CB C 35.952 0.2 1 101 23 23 VAL N N 116.998 0.2 1 102 24 24 ASP H H 8.120 0.02 1 103 24 24 ASP C C 175.078 0.2 1 104 24 24 ASP CA C 52.285 0.2 1 105 24 24 ASP CB C 41.246 0.2 1 106 24 24 ASP N N 120.404 0.2 1 107 25 25 ASP H H 8.678 0.02 1 108 25 25 ASP C C 175.468 0.2 1 109 25 25 ASP CA C 54.924 0.2 1 110 25 25 ASP CB C 41.250 0.2 1 111 25 25 ASP N N 123.853 0.2 1 112 26 26 SER H H 8.794 0.02 1 113 26 26 SER C C 177.350 0.2 1 114 26 26 SER CA C 59.428 0.2 1 115 26 26 SER CB C 63.927 0.2 1 116 26 26 SER N N 114.831 0.2 1 117 27 27 LYS H H 7.181 0.02 1 118 27 27 LYS C C 175.745 0.2 1 119 27 27 LYS CA C 53.919 0.2 1 120 27 27 LYS CB C 33.340 0.2 1 121 27 27 LYS N N 121.661 0.2 1 122 28 28 THR H H 8.621 0.02 1 123 28 28 THR C C 176.672 0.2 1 124 28 28 THR CA C 61.674 0.2 1 125 28 28 THR CB C 70.833 0.2 1 126 28 28 THR N N 109.639 0.2 1 127 29 29 VAL H H 7.759 0.02 1 128 29 29 VAL C C 174.563 0.2 1 129 29 29 VAL CA C 67.323 0.2 1 130 29 29 VAL CB C 31.369 0.2 1 131 29 29 VAL N N 121.412 0.2 1 132 30 30 THR H H 8.712 0.02 1 133 30 30 THR C C 176.714 0.2 1 134 30 30 THR CA C 67.572 0.2 1 135 30 30 THR CB C 69.406 0.2 1 136 30 30 THR N N 116.774 0.2 1 137 31 31 ASP H H 7.112 0.02 1 138 31 31 ASP C C 172.847 0.2 1 139 31 31 ASP CA C 57.462 0.2 1 140 31 31 ASP CB C 41.024 0.2 1 141 31 31 ASP N N 121.782 0.2 1 142 32 32 MET H H 8.488 0.02 1 143 32 32 MET C C 173.504 0.2 1 144 32 32 MET CA C 59.064 0.2 1 145 32 32 MET CB C 33.525 0.2 1 146 32 32 MET N N 121.185 0.2 1 147 33 33 LEU H H 8.830 0.02 1 148 33 33 LEU C C 173.151 0.2 1 149 33 33 LEU CA C 58.027 0.2 1 150 33 33 LEU CB C 42.135 0.2 1 151 33 33 LEU N N 120.435 0.2 1 152 34 34 MET H H 7.633 0.02 1 153 34 34 MET C C 173.242 0.2 1 154 34 34 MET CA C 59.925 0.2 1 155 34 34 MET CB C 31.964 0.2 1 156 34 34 MET N N 118.469 0.2 1 157 35 35 THR H H 7.449 0.02 1 158 35 35 THR C C 175.753 0.2 1 159 35 35 THR CA C 66.586 0.2 1 160 35 35 THR CB C 68.864 0.2 1 161 35 35 THR N N 116.604 0.2 1 162 36 36 ILE H H 8.491 0.02 1 163 36 36 ILE C C 174.854 0.2 1 164 36 36 ILE CA C 65.421 0.2 1 165 36 36 ILE CB C 39.031 0.2 1 166 36 36 ILE N N 121.231 0.2 1 167 37 37 CYS H H 8.352 0.02 1 168 37 37 CYS C C 175.415 0.2 1 169 37 37 CYS CA C 65.394 0.2 1 170 37 37 CYS CB C 26.199 0.2 1 171 37 37 CYS N N 115.124 0.2 1 172 38 38 ALA H H 7.751 0.02 1 173 38 38 ALA C C 171.387 0.2 1 174 38 38 ALA CA C 55.050 0.2 1 175 38 38 ALA CB C 17.877 0.2 1 176 38 38 ALA N N 121.162 0.2 1 177 39 39 ARG H H 7.631 0.02 1 178 39 39 ARG C C 173.839 0.2 1 179 39 39 ARG CA C 57.512 0.2 1 180 39 39 ARG CB C 29.795 0.2 1 181 39 39 ARG N N 116.383 0.2 1 182 40 40 ILE H H 7.432 0.02 1 183 40 40 ILE C C 176.154 0.2 1 184 40 40 ILE CA C 61.099 0.2 1 185 40 40 ILE CB C 38.116 0.2 1 186 40 40 ILE N N 111.689 0.2 1 187 41 41 GLY H H 7.539 0.02 1 188 41 41 GLY C C 177.531 0.2 1 189 41 41 GLY CA C 46.189 0.2 1 190 41 41 GLY N N 109.155 0.2 1 191 42 42 ILE H H 7.933 0.02 1 192 42 42 ILE C C 175.886 0.2 1 193 42 42 ILE CA C 60.531 0.2 1 194 42 42 ILE CB C 39.809 0.2 1 195 42 42 ILE N N 121.932 0.2 1 196 43 43 THR H H 8.441 0.02 1 197 43 43 THR C C 176.972 0.2 1 198 43 43 THR CA C 63.222 0.2 1 199 43 43 THR CB C 69.066 0.2 1 200 43 43 THR N N 119.484 0.2 1 201 44 44 ASN H H 8.652 0.02 1 202 44 44 ASN C C 176.483 0.2 1 203 44 44 ASN CA C 52.251 0.2 1 204 44 44 ASN CB C 35.737 0.2 1 205 44 44 ASN N N 121.046 0.2 1 206 45 45 HIS H H 7.694 0.02 1 207 45 45 HIS C C 176.191 0.2 1 208 45 45 HIS CA C 58.600 0.2 1 209 45 45 HIS CB C 30.535 0.2 1 210 45 45 HIS N N 118.631 0.2 1 211 46 46 ASP H H 7.940 0.02 1 212 46 46 ASP C C 171.394 0.2 1 213 46 46 ASP CA C 55.418 0.2 1 214 46 46 ASP CB C 39.925 0.2 1 215 46 46 ASP N N 117.428 0.2 1 216 47 47 GLU H H 7.640 0.02 1 217 47 47 GLU C C 176.799 0.2 1 218 47 47 GLU CA C 56.603 0.2 1 219 47 47 GLU CB C 29.913 0.2 1 220 47 47 GLU N N 116.378 0.2 1 221 48 48 TYR H H 7.800 0.02 1 222 48 48 TYR C C 178.049 0.2 1 223 48 48 TYR CA C 58.417 0.2 1 224 48 48 TYR CB C 42.441 0.2 1 225 48 48 TYR N N 118.510 0.2 1 226 49 49 SER H H 8.868 0.02 1 227 49 49 SER C C 179.215 0.2 1 228 49 49 SER CA C 56.638 0.2 1 229 49 49 SER CB C 64.532 0.2 1 230 49 49 SER N N 112.157 0.2 1 231 50 50 LEU H H 8.873 0.02 1 232 50 50 LEU C C 176.741 0.2 1 233 50 50 LEU CA C 52.871 0.2 1 234 50 50 LEU CB C 46.816 0.2 1 235 50 50 LEU N N 119.719 0.2 1 236 51 51 VAL H H 8.798 0.02 1 237 51 51 VAL C C 176.768 0.2 1 238 51 51 VAL CA C 59.611 0.2 1 239 51 51 VAL CB C 35.266 0.2 1 240 51 51 VAL N N 119.164 0.2 1 241 52 52 ARG H H 8.378 0.02 1 242 52 52 ARG C C 176.278 0.2 1 243 52 52 ARG CA C 55.628 0.2 1 244 52 52 ARG CB C 32.102 0.2 1 245 52 52 ARG N N 123.973 0.2 1 246 53 53 GLU H H 8.584 0.02 1 247 53 53 GLU C C 175.783 0.2 1 248 53 53 GLU CA C 57.552 0.2 1 249 53 53 GLU CB C 30.402 0.2 1 250 53 53 GLU N N 124.942 0.2 1 251 54 54 LEU H H 8.228 0.02 1 252 54 54 LEU C C 175.032 0.2 1 253 54 54 LEU CA C 55.151 0.2 1 254 54 54 LEU CB C 42.617 0.2 1 255 54 54 LEU N N 122.330 0.2 1 256 55 55 MET H H 8.177 0.02 1 257 55 55 MET C C 175.686 0.2 1 258 55 55 MET CA C 55.315 0.2 1 259 55 55 MET CB C 32.912 0.2 1 260 55 55 MET N N 120.139 0.2 1 261 56 56 GLU H H 8.269 0.02 1 262 56 56 GLU C C 175.584 0.2 1 263 56 56 GLU CA C 57.173 0.2 1 264 56 56 GLU CB C 30.117 0.2 1 265 56 56 GLU N N 121.221 0.2 1 266 57 57 GLU H H 8.381 0.02 1 267 57 57 GLU C C 175.515 0.2 1 268 57 57 GLU CA C 57.186 0.2 1 269 57 57 GLU CB C 29.975 0.2 1 270 57 57 GLU N N 120.209 0.2 1 271 58 58 LYS H H 8.113 0.02 1 272 58 58 LYS C C 175.741 0.2 1 273 58 58 LYS CA C 56.038 0.2 1 274 58 58 LYS CB C 32.584 0.2 1 275 58 58 LYS N N 120.752 0.2 1 276 59 59 LYS H H 8.061 0.02 1 277 59 59 LYS C C 175.884 0.2 1 278 59 59 LYS CA C 56.760 0.2 1 279 59 59 LYS CB C 32.809 0.2 1 280 59 59 LYS N N 120.997 0.2 1 281 60 60 ASP H H 8.323 0.02 1 282 60 60 ASP C C 176.273 0.2 1 283 60 60 ASP CA C 54.834 0.2 1 284 60 60 ASP CB C 40.867 0.2 1 285 60 60 ASP N N 119.344 0.2 1 286 61 61 GLU H H 7.868 0.02 1 287 61 61 GLU C C 176.324 0.2 1 288 61 61 GLU CA C 56.137 0.2 1 289 61 61 GLU CB C 30.883 0.2 1 290 61 61 GLU N N 119.340 0.2 1 291 62 62 LEU H H 8.203 0.02 1 292 62 62 LEU C C 175.379 0.2 1 293 62 62 LEU CA C 54.649 0.2 1 294 62 62 LEU CB C 42.086 0.2 1 295 62 62 LEU N N 122.091 0.2 1 296 63 63 ASN H H 8.351 0.02 1 297 63 63 ASN C C 177.771 0.2 1 298 63 63 ASN CA C 52.360 0.2 1 299 63 63 ASN CB C 38.592 0.2 1 300 63 63 ASN N N 120.545 0.2 1 301 64 64 TRP H H 7.711 0.02 1 302 64 64 TRP HE1 H 10.079 0.02 1 303 64 64 TRP C C 174.742 0.2 1 304 64 64 TRP CA C 57.017 0.2 1 305 64 64 TRP CB C 29.871 0.2 1 306 64 64 TRP N N 129.572 0.2 1 307 64 64 TRP NE1 N 129.572 0.2 1 308 65 65 LEU H H 8.454 0.02 1 309 65 65 LEU C C 176.016 0.2 1 310 65 65 LEU CA C 54.863 0.2 1 311 65 65 LEU CB C 42.777 0.2 1 312 65 65 LEU N N 122.454 0.2 1 313 66 66 ASP H H 9.131 0.02 1 314 66 66 ASP C C 173.427 0.2 1 315 66 66 ASP CA C 53.484 0.2 1 316 66 66 ASP CB C 41.364 0.2 1 317 66 66 ASP N N 122.199 0.2 1 318 67 67 HIS H H 9.292 0.02 1 319 67 67 HIS C C 175.932 0.2 1 320 67 67 HIS CA C 58.986 0.2 1 321 67 67 HIS CB C 28.053 0.2 1 322 67 67 HIS N N 126.742 0.2 1 323 68 68 GLY H H 8.728 0.02 1 324 68 68 GLY C C 178.635 0.2 1 325 68 68 GLY CA C 45.153 0.2 1 326 68 68 GLY N N 105.455 0.2 1 327 69 69 ARG H H 7.001 0.02 1 328 69 69 ARG C C 176.001 0.2 1 329 69 69 ARG CA C 54.042 0.2 1 330 69 69 ARG CB C 35.763 0.2 1 331 69 69 ARG N N 117.432 0.2 1 332 70 70 THR H H 9.024 0.02 1 333 70 70 THR C C 174.992 0.2 1 334 70 70 THR CA C 61.078 0.2 1 335 70 70 THR CB C 70.976 0.2 1 336 70 70 THR N N 112.194 0.2 1 337 71 71 LEU H H 9.062 0.02 1 338 71 71 LEU C C 172.301 0.2 1 339 71 71 LEU CA C 58.308 0.2 1 340 71 71 LEU CB C 41.159 0.2 1 341 71 71 LEU N N 121.101 0.2 1 342 72 72 ARG H H 8.521 0.02 1 343 72 72 ARG C C 171.601 0.2 1 344 72 72 ARG CA C 59.049 0.2 1 345 72 72 ARG CB C 29.824 0.2 1 346 72 72 ARG N N 120.127 0.2 1 347 73 73 GLU H H 7.746 0.02 1 348 73 73 GLU C C 175.165 0.2 1 349 73 73 GLU CA C 58.111 0.2 1 350 73 73 GLU CB C 30.152 0.2 1 351 73 73 GLU N N 117.847 0.2 1 352 74 74 GLN H H 7.178 0.02 1 353 74 74 GLN C C 176.999 0.2 1 354 74 74 GLN CA C 55.174 0.2 1 355 74 74 GLN CB C 30.421 0.2 1 356 74 74 GLN N N 114.676 0.2 1 357 75 75 GLY H H 7.517 0.02 1 358 75 75 GLY C C 178.092 0.2 1 359 75 75 GLY CA C 46.398 0.2 1 360 75 75 GLY N N 107.266 0.2 1 361 76 76 VAL H H 7.384 0.02 1 362 76 76 VAL C C 175.544 0.2 1 363 76 76 VAL CA C 62.434 0.2 1 364 76 76 VAL CB C 31.193 0.2 1 365 76 76 VAL N N 119.720 0.2 1 366 77 77 GLU H H 8.851 0.02 1 367 77 77 GLU C C 173.293 0.2 1 368 77 77 GLU CA C 56.136 0.2 1 369 77 77 GLU CB C 31.321 0.2 1 370 77 77 GLU N N 130.498 0.2 1 371 78 78 GLU H H 9.114 0.02 1 372 78 78 GLU C C 175.314 0.2 1 373 78 78 GLU CA C 59.690 0.2 1 374 78 78 GLU CB C 29.602 0.2 1 375 78 78 GLU N N 121.016 0.2 1 376 79 79 HIS H H 7.588 0.02 1 377 79 79 HIS C C 176.351 0.2 1 378 79 79 HIS CA C 55.895 0.2 1 379 79 79 HIS CB C 30.133 0.2 1 380 79 79 HIS N N 112.603 0.2 1 381 80 80 GLU H H 6.984 0.02 1 382 80 80 GLU C C 176.235 0.2 1 383 80 80 GLU CA C 57.736 0.2 1 384 80 80 GLU CB C 30.937 0.2 1 385 80 80 GLU N N 121.499 0.2 1 386 81 81 THR H H 8.587 0.02 1 387 81 81 THR C C 177.934 0.2 1 388 81 81 THR CA C 62.292 0.2 1 389 81 81 THR CB C 69.510 0.2 1 390 81 81 THR N N 120.856 0.2 1 391 82 82 LEU H H 8.385 0.02 1 392 82 82 LEU C C 177.439 0.2 1 393 82 82 LEU CA C 52.645 0.2 1 394 82 82 LEU CB C 44.303 0.2 1 395 82 82 LEU N N 125.771 0.2 1 396 83 83 LEU H H 9.101 0.02 1 397 83 83 LEU C C 176.346 0.2 1 398 83 83 LEU CA C 54.134 0.2 1 399 83 83 LEU CB C 43.153 0.2 1 400 83 83 LEU N N 121.303 0.2 1 401 84 84 LEU H H 7.948 0.02 1 402 84 84 LEU C C 176.387 0.2 1 403 84 84 LEU CA C 54.561 0.2 1 404 84 84 LEU CB C 43.364 0.2 1 405 84 84 LEU N N 125.914 0.2 1 406 85 85 ARG H H 8.645 0.02 1 407 85 85 ARG C C 177.684 0.2 1 408 85 85 ARG CA C 54.099 0.2 1 409 85 85 ARG CB C 34.533 0.2 1 410 85 85 ARG N N 125.609 0.2 1 411 86 86 ARG H H 8.764 0.02 1 412 86 86 ARG C C 176.960 0.2 1 413 86 86 ARG CA C 56.655 0.2 1 414 86 86 ARG CB C 30.327 0.2 1 415 86 86 ARG N N 124.884 0.2 1 416 87 87 LYS H H 8.288 0.02 1 417 87 87 LYS C C 176.600 0.2 1 418 87 87 LYS CA C 56.751 0.2 1 419 87 87 LYS CB C 34.320 0.2 1 420 87 87 LYS N N 126.381 0.2 1 421 88 88 PHE H H 7.705 0.02 1 422 88 88 PHE CA C 56.550 0.2 1 423 88 88 PHE CB C 37.151 0.2 1 424 88 88 PHE N N 118.914 0.2 1 425 90 90 TYR C C 175.889 0.2 1 426 90 90 TYR CA C 57.520 0.2 1 427 90 90 TYR CB C 38.947 0.2 1 428 91 91 SER H H 8.100 0.02 1 429 91 91 SER C C 177.911 0.2 1 430 91 91 SER CA C 59.002 0.2 1 431 91 91 SER CB C 63.756 0.2 1 432 91 91 SER N N 116.811 0.2 1 433 92 92 ASP H H 8.154 0.02 1 434 92 92 ASP C C 175.953 0.2 1 435 92 92 ASP CA C 54.147 0.2 1 436 92 92 ASP CB C 40.976 0.2 1 437 92 92 ASP N N 121.809 0.2 1 438 93 93 GLN H H 7.951 0.02 1 439 93 93 GLN C C 176.280 0.2 1 440 93 93 GLN CA C 56.117 0.2 1 441 93 93 GLN CB C 29.210 0.2 1 442 93 93 GLN N N 118.615 0.2 1 443 94 94 ASN H H 8.377 0.02 1 444 94 94 ASN C C 176.969 0.2 1 445 94 94 ASN CA C 53.502 0.2 1 446 94 94 ASN CB C 39.026 0.2 1 447 94 94 ASN N N 119.093 0.2 1 448 95 95 VAL H H 8.005 0.02 1 449 95 95 VAL C C 177.178 0.2 1 450 95 95 VAL CA C 62.540 0.2 1 451 95 95 VAL CB C 32.581 0.2 1 452 95 95 VAL N N 120.850 0.2 1 453 96 96 ASP H H 8.348 0.02 1 454 96 96 ASP C C 175.870 0.2 1 455 96 96 ASP CA C 54.189 0.2 1 456 96 96 ASP CB C 41.747 0.2 1 457 96 96 ASP N N 123.557 0.2 1 458 97 97 SER H H 8.206 0.02 1 459 97 97 SER C C 177.575 0.2 1 460 97 97 SER CA C 58.776 0.2 1 461 97 97 SER CB C 63.549 0.2 1 462 97 97 SER N N 115.936 0.2 1 463 98 98 ARG H H 8.102 0.02 1 464 98 98 ARG C C 176.261 0.2 1 465 98 98 ARG CA C 56.900 0.2 1 466 98 98 ARG CB C 30.107 0.2 1 467 98 98 ARG N N 120.483 0.2 1 468 99 99 ASP H H 7.868 0.02 1 469 99 99 ASP CA C 50.943 0.2 1 470 99 99 ASP CB C 41.541 0.2 1 471 99 99 ASP N N 119.291 0.2 1 472 100 100 PRO C C 173.112 0.2 1 473 100 100 PRO CA C 64.868 0.2 1 474 100 100 PRO CB C 32.257 0.2 1 475 101 101 VAL H H 7.866 0.02 1 476 101 101 VAL C C 173.242 0.2 1 477 101 101 VAL CA C 66.101 0.2 1 478 101 101 VAL CB C 31.381 0.2 1 479 101 101 VAL N N 120.655 0.2 1 480 102 102 GLN H H 7.577 0.02 1 481 102 102 GLN C C 173.487 0.2 1 482 102 102 GLN CA C 58.148 0.2 1 483 102 102 GLN CB C 28.387 0.2 1 484 102 102 GLN N N 120.829 0.2 1 485 103 103 LEU H H 8.289 0.02 1 486 103 103 LEU C C 173.847 0.2 1 487 103 103 LEU CA C 57.907 0.2 1 488 103 103 LEU CB C 41.636 0.2 1 489 103 103 LEU N N 119.171 0.2 1 490 104 104 ASN H H 7.748 0.02 1 491 104 104 ASN C C 175.725 0.2 1 492 104 104 ASN CA C 57.845 0.2 1 493 104 104 ASN CB C 38.859 0.2 1 494 104 104 ASN N N 115.251 0.2 1 495 105 105 LEU H H 7.479 0.02 1 496 105 105 LEU C C 172.162 0.2 1 497 105 105 LEU CA C 58.227 0.2 1 498 105 105 LEU CB C 41.470 0.2 1 499 105 105 LEU N N 118.111 0.2 1 500 106 106 LEU H H 7.903 0.02 1 501 106 106 LEU C C 172.534 0.2 1 502 106 106 LEU CA C 57.574 0.2 1 503 106 106 LEU CB C 42.287 0.2 1 504 106 106 LEU N N 119.178 0.2 1 505 107 107 TYR H H 8.434 0.02 1 506 107 107 TYR C C 177.330 0.2 1 507 107 107 TYR CA C 60.714 0.2 1 508 107 107 TYR CB C 37.916 0.2 1 509 107 107 TYR N N 120.696 0.2 1 510 108 108 VAL H H 8.272 0.02 1 511 108 108 VAL C C 174.815 0.2 1 512 108 108 VAL CA C 66.785 0.2 1 513 108 108 VAL CB C 31.362 0.2 1 514 108 108 VAL N N 118.107 0.2 1 515 109 109 GLN H H 7.223 0.02 1 516 109 109 GLN C C 174.502 0.2 1 517 109 109 GLN CA C 58.553 0.2 1 518 109 109 GLN CB C 28.826 0.2 1 519 109 109 GLN N N 116.116 0.2 1 520 110 110 ALA H H 7.706 0.02 1 521 110 110 ALA C C 172.797 0.2 1 522 110 110 ALA CA C 54.834 0.2 1 523 110 110 ALA CB C 17.806 0.2 1 524 110 110 ALA N N 120.838 0.2 1 525 111 111 ARG H H 8.567 0.02 1 526 111 111 ARG C C 173.166 0.2 1 527 111 111 ARG CA C 56.992 0.2 1 528 111 111 ARG CB C 29.220 0.2 1 529 111 111 ARG N N 119.553 0.2 1 530 112 112 ASP H H 8.465 0.02 1 531 112 112 ASP C C 173.489 0.2 1 532 112 112 ASP CA C 57.660 0.2 1 533 112 112 ASP CB C 38.625 0.2 1 534 112 112 ASP N N 119.977 0.2 1 535 113 113 ASP H H 7.677 0.02 1 536 113 113 ASP C C 173.252 0.2 1 537 113 113 ASP CA C 56.617 0.2 1 538 113 113 ASP CB C 40.091 0.2 1 539 113 113 ASP N N 119.273 0.2 1 540 114 114 ILE H H 7.596 0.02 1 541 114 114 ILE C C 171.853 0.2 1 542 114 114 ILE CA C 56.600 0.2 1 543 114 114 ILE CB C 36.828 0.2 1 544 114 114 ILE N N 122.295 0.2 1 545 115 115 LEU H H 8.895 0.02 1 546 115 115 LEU C C 172.293 0.2 1 547 115 115 LEU CA C 58.092 0.2 1 548 115 115 LEU CB C 41.042 0.2 1 549 115 115 LEU N N 119.836 0.2 1 550 116 116 ASN H H 8.553 0.02 1 551 116 116 ASN C C 175.058 0.2 1 552 116 116 ASN CA C 52.898 0.2 1 553 116 116 ASN CB C 37.860 0.2 1 554 116 116 ASN N N 114.053 0.2 1 555 117 117 GLY H H 7.446 0.02 1 556 117 117 GLY C C 177.336 0.2 1 557 117 117 GLY CA C 45.604 0.2 1 558 117 117 GLY N N 106.996 0.2 1 559 118 118 SER H H 8.519 0.02 1 560 118 118 SER C C 178.166 0.2 1 561 118 118 SER CA C 60.880 0.2 1 562 118 118 SER CB C 62.734 0.2 1 563 118 118 SER N N 117.625 0.2 1 564 119 119 HIS H H 7.601 0.02 1 565 119 119 HIS CA C 50.711 0.2 1 566 119 119 HIS CB C 29.643 0.2 1 567 119 119 HIS N N 120.005 0.2 1 568 120 120 PRO C C 175.621 0.2 1 569 120 120 PRO CA C 63.484 0.2 1 570 120 120 PRO CB C 32.156 0.2 1 571 121 121 VAL H H 8.311 0.02 1 572 121 121 VAL C C 176.515 0.2 1 573 121 121 VAL CA C 58.957 0.2 1 574 121 121 VAL CB C 37.336 0.2 1 575 121 121 VAL N N 115.469 0.2 1 576 122 122 SER H H 8.558 0.02 1 577 122 122 SER C C 178.270 0.2 1 578 122 122 SER CA C 57.431 0.2 1 579 122 122 SER CB C 65.015 0.2 1 580 122 122 SER N N 118.899 0.2 1 581 123 123 PHE H H 9.004 0.02 1 582 123 123 PHE C C 174.613 0.2 1 583 123 123 PHE CA C 60.131 0.2 1 584 123 123 PHE CB C 38.742 0.2 1 585 123 123 PHE N N 123.256 0.2 1 586 124 124 ASP H H 8.446 0.02 1 587 124 124 ASP C C 172.549 0.2 1 588 124 124 ASP CA C 57.669 0.2 1 589 124 124 ASP CB C 40.108 0.2 1 590 124 124 ASP N N 117.462 0.2 1 591 125 125 LYS H H 7.640 0.02 1 592 125 125 LYS C C 174.004 0.2 1 593 125 125 LYS CA C 58.214 0.2 1 594 125 125 LYS CB C 31.721 0.2 1 595 125 125 LYS N N 120.782 0.2 1 596 126 126 ALA H H 9.026 0.02 1 597 126 126 ALA C C 171.027 0.2 1 598 126 126 ALA CA C 55.992 0.2 1 599 126 126 ALA CB C 17.909 0.2 1 600 126 126 ALA N N 121.609 0.2 1 601 127 127 CYS H H 7.708 0.02 1 602 127 127 CYS C C 176.921 0.2 1 603 127 127 CYS CA C 63.900 0.2 1 604 127 127 CYS CB C 26.985 0.2 1 605 127 127 CYS N N 115.770 0.2 1 606 128 128 GLU H H 7.272 0.02 1 607 128 128 GLU C C 172.133 0.2 1 608 128 128 GLU CA C 59.771 0.2 1 609 128 128 GLU CB C 29.216 0.2 1 610 128 128 GLU N N 121.371 0.2 1 611 129 129 PHE H H 8.436 0.02 1 612 129 129 PHE C C 173.989 0.2 1 613 129 129 PHE CA C 63.742 0.2 1 614 129 129 PHE CB C 37.684 0.2 1 615 129 129 PHE N N 118.590 0.2 1 616 130 130 ALA H H 8.139 0.02 1 617 130 130 ALA C C 172.012 0.2 1 618 130 130 ALA CA C 54.532 0.2 1 619 130 130 ALA CB C 19.247 0.2 1 620 130 130 ALA N N 119.638 0.2 1 621 131 131 GLY H H 8.134 0.02 1 622 131 131 GLY C C 176.519 0.2 1 623 131 131 GLY CA C 48.106 0.2 1 624 131 131 GLY N N 107.277 0.2 1 625 132 132 PHE H H 7.297 0.02 1 626 132 132 PHE C C 173.956 0.2 1 627 132 132 PHE CA C 60.813 0.2 1 628 132 132 PHE CB C 39.868 0.2 1 629 132 132 PHE N N 119.318 0.2 1 630 133 133 GLN H H 9.041 0.02 1 631 133 133 GLN C C 172.769 0.2 1 632 133 133 GLN CA C 59.693 0.2 1 633 133 133 GLN CB C 28.764 0.2 1 634 133 133 GLN N N 121.835 0.2 1 635 134 134 CYS H H 8.769 0.02 1 636 134 134 CYS C C 176.308 0.2 1 637 134 134 CYS CA C 64.482 0.2 1 638 134 134 CYS CB C 24.791 0.2 1 639 134 134 CYS N N 117.695 0.2 1 640 135 135 GLN H H 7.620 0.02 1 641 135 135 GLN C C 172.083 0.2 1 642 135 135 GLN CA C 58.716 0.2 1 643 135 135 GLN CB C 27.229 0.2 1 644 135 135 GLN N N 123.075 0.2 1 645 136 136 ILE H H 8.261 0.02 1 646 136 136 ILE C C 174.815 0.2 1 647 136 136 ILE CA C 65.439 0.2 1 648 136 136 ILE CB C 39.092 0.2 1 649 136 136 ILE N N 119.520 0.2 1 650 137 137 GLN H H 8.223 0.02 1 651 137 137 GLN C C 174.032 0.2 1 652 137 137 GLN CA C 58.777 0.2 1 653 137 137 GLN CB C 28.315 0.2 1 654 137 137 GLN N N 115.708 0.2 1 655 138 138 PHE H H 8.888 0.02 1 656 138 138 PHE C C 174.652 0.2 1 657 138 138 PHE CA C 56.414 0.2 1 658 138 138 PHE CB C 40.276 0.2 1 659 138 138 PHE N N 114.867 0.2 1 660 139 139 GLY H H 7.653 0.02 1 661 139 139 GLY CA C 44.366 0.2 1 662 139 139 GLY N N 111.178 0.2 1 663 140 140 PRO C C 175.987 0.2 1 664 140 140 PRO CA C 62.556 0.2 1 665 140 140 PRO CB C 32.175 0.2 1 666 141 141 HIS H H 8.853 0.02 1 667 141 141 HIS C C 177.290 0.2 1 668 141 141 HIS CA C 58.329 0.2 1 669 141 141 HIS CB C 28.390 0.2 1 670 141 141 HIS N N 124.177 0.2 1 671 142 142 ASN H H 10.027 0.02 1 672 142 142 ASN C C 177.152 0.2 1 673 142 142 ASN CA C 51.152 0.2 1 674 142 142 ASN CB C 39.327 0.2 1 675 142 142 ASN N N 130.778 0.2 1 676 143 143 GLU H H 9.064 0.02 1 677 143 143 GLU C C 175.673 0.2 1 678 143 143 GLU CA C 58.651 0.2 1 679 143 143 GLU CB C 29.378 0.2 1 680 143 143 GLU N N 125.314 0.2 1 681 144 144 GLN H H 7.549 0.02 1 682 144 144 GLN C C 175.977 0.2 1 683 144 144 GLN CA C 57.208 0.2 1 684 144 144 GLN CB C 28.430 0.2 1 685 144 144 GLN N N 114.506 0.2 1 686 145 145 LYS H H 6.775 0.02 1 687 145 145 LYS C C 176.398 0.2 1 688 145 145 LYS CA C 56.062 0.2 1 689 145 145 LYS CB C 35.046 0.2 1 690 145 145 LYS N N 116.209 0.2 1 691 146 146 HIS H H 7.750 0.02 1 692 146 146 HIS C C 180.394 0.2 1 693 146 146 HIS CA C 53.925 0.2 1 694 146 146 HIS CB C 29.352 0.2 1 695 146 146 HIS N N 122.281 0.2 1 696 147 147 LYS H H 6.565 0.02 1 697 147 147 LYS C C 177.014 0.2 1 698 147 147 LYS CA C 53.951 0.2 1 699 147 147 LYS CB C 34.693 0.2 1 700 147 147 LYS N N 118.088 0.2 1 701 148 148 ALA H H 8.346 0.02 1 702 148 148 ALA C C 173.243 0.2 1 703 148 148 ALA CA C 54.033 0.2 1 704 148 148 ALA CB C 18.159 0.2 1 705 148 148 ALA N N 121.775 0.2 1 706 149 149 GLY H H 10.123 0.02 1 707 149 149 GLY C C 176.871 0.2 1 708 149 149 GLY CA C 45.077 0.2 1 709 149 149 GLY N N 114.463 0.2 1 710 150 150 PHE H H 8.560 0.02 1 711 150 150 PHE C C 176.467 0.2 1 712 150 150 PHE CA C 59.985 0.2 1 713 150 150 PHE CB C 41.231 0.2 1 714 150 150 PHE N N 121.667 0.2 1 715 151 151 LEU H H 7.963 0.02 1 716 151 151 LEU C C 175.700 0.2 1 717 151 151 LEU CA C 53.730 0.2 1 718 151 151 LEU CB C 43.218 0.2 1 719 151 151 LEU N N 115.488 0.2 1 720 152 152 ASP H H 8.696 0.02 1 721 152 152 ASP C C 174.670 0.2 1 722 152 152 ASP CA C 52.781 0.2 1 723 152 152 ASP CB C 40.000 0.2 1 724 152 152 ASP N N 123.123 0.2 1 725 153 153 LEU H H 8.538 0.02 1 726 153 153 LEU C C 173.770 0.2 1 727 153 153 LEU CA C 58.712 0.2 1 728 153 153 LEU CB C 41.836 0.2 1 729 153 153 LEU N N 124.558 0.2 1 730 154 154 LYS H H 8.302 0.02 1 731 154 154 LYS C C 174.991 0.2 1 732 154 154 LYS CA C 58.187 0.2 1 733 154 154 LYS CB C 31.165 0.2 1 734 154 154 LYS N N 116.466 0.2 1 735 155 155 ASP H H 7.991 0.02 1 736 155 155 ASP C C 176.835 0.2 1 737 155 155 ASP CA C 54.713 0.2 1 738 155 155 ASP CB C 41.391 0.2 1 739 155 155 ASP N N 117.690 0.2 1 740 156 156 PHE H H 7.488 0.02 1 741 156 156 PHE C C 178.671 0.2 1 742 156 156 PHE CA C 58.794 0.2 1 743 156 156 PHE CB C 43.803 0.2 1 744 156 156 PHE N N 114.955 0.2 1 745 157 157 LEU H H 7.431 0.02 1 746 157 157 LEU CA C 50.966 0.2 1 747 157 157 LEU CB C 46.167 0.2 1 748 157 157 LEU N N 117.978 0.2 1 749 158 158 PRO C C 174.482 0.2 1 750 158 158 PRO CA C 62.167 0.2 1 751 158 158 PRO CB C 32.213 0.2 1 752 159 159 LYS H H 8.498 0.02 1 753 159 159 LYS C C 173.651 0.2 1 754 159 159 LYS CA C 59.880 0.2 1 755 159 159 LYS CB C 32.477 0.2 1 756 159 159 LYS N N 122.586 0.2 1 757 160 160 GLU H H 9.245 0.02 1 758 160 160 GLU C C 174.813 0.2 1 759 160 160 GLU CA C 58.558 0.2 1 760 160 160 GLU CB C 28.652 0.2 1 761 160 160 GLU N N 117.616 0.2 1 762 161 161 TYR H H 7.963 0.02 1 763 161 161 TYR C C 175.631 0.2 1 764 161 161 TYR CA C 55.206 0.2 1 765 161 161 TYR CB C 40.088 0.2 1 766 161 161 TYR N N 115.928 0.2 1 767 162 162 VAL H H 7.232 0.02 1 768 162 162 VAL C C 175.886 0.2 1 769 162 162 VAL CA C 66.253 0.2 1 770 162 162 VAL CB C 31.658 0.2 1 771 162 162 VAL N N 119.672 0.2 1 772 163 163 LYS H H 8.112 0.02 1 773 163 163 LYS C C 175.311 0.2 1 774 163 163 LYS CA C 55.971 0.2 1 775 163 163 LYS CB C 32.064 0.2 1 776 163 163 LYS N N 118.509 0.2 1 777 164 164 GLN H H 7.521 0.02 1 778 164 164 GLN C C 176.227 0.2 1 779 164 164 GLN CA C 56.284 0.2 1 780 164 164 GLN CB C 28.978 0.2 1 781 164 164 GLN N N 119.008 0.2 1 782 165 165 LYS H H 8.356 0.02 1 783 165 165 LYS C C 174.277 0.2 1 784 165 165 LYS CA C 56.806 0.2 1 785 165 165 LYS CB C 29.597 0.2 1 786 165 165 LYS N N 118.038 0.2 1 787 166 166 GLY H H 8.377 0.02 1 788 166 166 GLY C C 177.880 0.2 1 789 166 166 GLY CA C 46.303 0.2 1 790 166 166 GLY N N 106.385 0.2 1 791 167 167 GLU H H 8.778 0.02 1 792 167 167 GLU C C 175.154 0.2 1 793 167 167 GLU CA C 61.557 0.2 1 794 167 167 GLU CB C 29.830 0.2 1 795 167 167 GLU N N 121.242 0.2 1 796 168 168 ARG H H 8.418 0.02 1 797 168 168 ARG C C 172.796 0.2 1 798 168 168 ARG CA C 59.710 0.2 1 799 168 168 ARG CB C 29.421 0.2 1 800 168 168 ARG N N 116.288 0.2 1 801 169 169 LYS H H 7.451 0.02 1 802 169 169 LYS C C 171.954 0.2 1 803 169 169 LYS CA C 59.218 0.2 1 804 169 169 LYS CB C 32.522 0.2 1 805 169 169 LYS N N 119.287 0.2 1 806 170 170 ILE H H 8.044 0.02 1 807 170 170 ILE C C 174.128 0.2 1 808 170 170 ILE CA C 65.621 0.2 1 809 170 170 ILE CB C 37.799 0.2 1 810 170 170 ILE N N 122.308 0.2 1 811 171 171 PHE H H 8.433 0.02 1 812 171 171 PHE C C 173.536 0.2 1 813 171 171 PHE CA C 58.613 0.2 1 814 171 171 PHE CB C 37.332 0.2 1 815 171 171 PHE N N 117.890 0.2 1 816 172 172 GLN H H 7.956 0.02 1 817 172 172 GLN C C 174.459 0.2 1 818 172 172 GLN CA C 58.783 0.2 1 819 172 172 GLN CB C 28.393 0.2 1 820 172 172 GLN N N 120.159 0.2 1 821 173 173 ALA H H 7.459 0.02 1 822 173 173 ALA C C 172.371 0.2 1 823 173 173 ALA CA C 55.043 0.2 1 824 173 173 ALA CB C 18.255 0.2 1 825 173 173 ALA N N 122.684 0.2 1 826 174 174 HIS H H 8.906 0.02 1 827 174 174 HIS C C 172.214 0.2 1 828 174 174 HIS CA C 57.192 0.2 1 829 174 174 HIS CB C 34.009 0.2 1 830 174 174 HIS N N 119.989 0.2 1 831 175 175 LYS H H 8.530 0.02 1 832 175 175 LYS C C 172.619 0.2 1 833 175 175 LYS CA C 60.058 0.2 1 834 175 175 LYS CB C 32.094 0.2 1 835 175 175 LYS N N 122.104 0.2 1 836 176 176 ASN H H 7.998 0.02 1 837 176 176 ASN C C 175.138 0.2 1 838 176 176 ASN CA C 54.735 0.2 1 839 176 176 ASN CB C 37.780 0.2 1 840 176 176 ASN N N 117.844 0.2 1 841 177 177 CYS H H 7.633 0.02 1 842 177 177 CYS C C 175.801 0.2 1 843 177 177 CYS CA C 62.282 0.2 1 844 177 177 CYS CB C 26.935 0.2 1 845 177 177 CYS N N 116.830 0.2 1 846 178 178 GLY H H 7.851 0.02 1 847 178 178 GLY C C 176.430 0.2 1 848 178 178 GLY CA C 47.168 0.2 1 849 178 178 GLY N N 108.619 0.2 1 850 179 179 GLN H H 8.923 0.02 1 851 179 179 GLN C C 177.072 0.2 1 852 179 179 GLN CA C 54.136 0.2 1 853 179 179 GLN CB C 27.797 0.2 1 854 179 179 GLN N N 124.816 0.2 1 855 180 180 MET H H 7.338 0.02 1 856 180 180 MET C C 176.161 0.2 1 857 180 180 MET CA C 57.260 0.2 1 858 180 180 MET CB C 35.183 0.2 1 859 180 180 MET N N 121.201 0.2 1 860 181 181 SER H H 8.973 0.02 1 861 181 181 SER C C 178.614 0.2 1 862 181 181 SER CA C 57.939 0.2 1 863 181 181 SER CB C 65.365 0.2 1 864 181 181 SER N N 122.200 0.2 1 865 182 182 GLU H H 8.828 0.02 1 866 182 182 GLU C C 174.140 0.2 1 867 182 182 GLU CA C 60.063 0.2 1 868 182 182 GLU CB C 29.708 0.2 1 869 182 182 GLU N N 121.245 0.2 1 870 183 183 ILE H H 7.586 0.02 1 871 183 183 ILE C C 175.288 0.2 1 872 183 183 ILE CA C 63.915 0.2 1 873 183 183 ILE CB C 37.530 0.2 1 874 183 183 ILE N N 116.224 0.2 1 875 184 184 GLU H H 7.526 0.02 1 876 184 184 GLU C C 173.693 0.2 1 877 184 184 GLU CA C 59.140 0.2 1 878 184 184 GLU CB C 28.881 0.2 1 879 184 184 GLU N N 120.339 0.2 1 880 185 185 ALA H H 8.237 0.02 1 881 185 185 ALA C C 173.172 0.2 1 882 185 185 ALA CA C 55.453 0.2 1 883 185 185 ALA CB C 18.448 0.2 1 884 185 185 ALA N N 120.830 0.2 1 885 186 186 LYS H H 7.825 0.02 1 886 186 186 LYS C C 173.886 0.2 1 887 186 186 LYS CA C 60.717 0.2 1 888 186 186 LYS CB C 33.429 0.2 1 889 186 186 LYS N N 118.317 0.2 1 890 187 187 VAL H H 8.147 0.02 1 891 187 187 VAL C C 173.790 0.2 1 892 187 187 VAL CA C 67.076 0.2 1 893 187 187 VAL CB C 31.405 0.2 1 894 187 187 VAL N N 118.979 0.2 1 895 188 188 ARG H H 8.113 0.02 1 896 188 188 ARG C C 173.588 0.2 1 897 188 188 ARG CA C 58.901 0.2 1 898 188 188 ARG CB C 28.865 0.2 1 899 188 188 ARG N N 117.343 0.2 1 900 189 189 TYR H H 8.208 0.02 1 901 189 189 TYR C C 174.262 0.2 1 902 189 189 TYR CA C 62.223 0.2 1 903 189 189 TYR CB C 39.711 0.2 1 904 189 189 TYR N N 122.147 0.2 1 905 190 190 VAL H H 8.348 0.02 1 906 190 190 VAL C C 173.221 0.2 1 907 190 190 VAL CA C 67.387 0.2 1 908 190 190 VAL CB C 31.620 0.2 1 909 190 190 VAL N N 116.290 0.2 1 910 191 191 LYS H H 8.372 0.02 1 911 191 191 LYS C C 172.522 0.2 1 912 191 191 LYS CA C 59.976 0.2 1 913 191 191 LYS CB C 32.451 0.2 1 914 191 191 LYS N N 117.625 0.2 1 915 192 192 LEU H H 7.980 0.02 1 916 192 192 LEU C C 174.256 0.2 1 917 192 192 LEU CA C 56.461 0.2 1 918 192 192 LEU CB C 41.643 0.2 1 919 192 192 LEU N N 120.830 0.2 1 920 193 193 ALA H H 7.843 0.02 1 921 193 193 ALA C C 175.855 0.2 1 922 193 193 ALA CA C 53.096 0.2 1 923 193 193 ALA CB C 19.068 0.2 1 924 193 193 ALA N N 120.552 0.2 1 925 194 194 ARG H H 7.230 0.02 1 926 194 194 ARG CA C 58.620 0.2 1 927 194 194 ARG CB C 31.224 0.2 1 928 194 194 ARG N N 123.439 0.2 1 stop_ save_