data_18324 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Resonance Assignments of the Micro-RNA Interaction Region of Human TRBP2 ; _BMRB_accession_number 18324 _BMRB_flat_file_name bmr18324.str _Entry_type original _Submission_date 2012-03-12 _Accession_date 2012-03-12 _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 Benoit Matthieu . . 2 Plevin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 192 "13C chemical shifts" 589 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-24 update BMRB 'update entry citation' 2012-09-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone resonance assignments of the micro-RNA precursor binding region of human TRBP.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22875687 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Benoit 'Matthieu P M H' . . 2 Plevin Michael J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 229 _Page_last 233 _Year 2013 _Details . loop_ _Keyword 'double stranded RNA binding domain' micro-RNA TRBP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TAR RNA binding protein 2 (19-228)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TAR-RNA binding protein 2 (19-228)' $TAR-RNA_binding_protein_2_(TRBP2)_(19-228) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TAR-RNA_binding_protein_2_(TRBP2)_(19-228) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TAR-RNA_binding_protein_2_(TRBP2)_(19-228) _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'RNA binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 211 _Mol_residue_sequence ; GIEQMLAANPGKTPISLLQE YGTRIGKTPVYDLLKAEGQA HQPNFTFRVTVGDTSCTGQG PSKKAAKHKAAEVALKHLKG GSMLEPALEDSSSFSPLDSS LPEDIPVFTAAAAATPVPSV VLTRSPAMELQPPVSPQQSE CNPVGALQELVVQKGWRLPE YTVTQESGPAHRKEFTMTCR VERFIEIGSGTSKKLAKRNA AAKMLLRVHTV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 GLU 4 GLN 5 MET 6 LEU 7 ALA 8 ALA 9 ASN 10 PRO 11 GLY 12 LYS 13 THR 14 PRO 15 ILE 16 SER 17 LEU 18 LEU 19 GLN 20 GLU 21 TYR 22 GLY 23 THR 24 ARG 25 ILE 26 GLY 27 LYS 28 THR 29 PRO 30 VAL 31 TYR 32 ASP 33 LEU 34 LEU 35 LYS 36 ALA 37 GLU 38 GLY 39 GLN 40 ALA 41 HIS 42 GLN 43 PRO 44 ASN 45 PHE 46 THR 47 PHE 48 ARG 49 VAL 50 THR 51 VAL 52 GLY 53 ASP 54 THR 55 SER 56 CYS 57 THR 58 GLY 59 GLN 60 GLY 61 PRO 62 SER 63 LYS 64 LYS 65 ALA 66 ALA 67 LYS 68 HIS 69 LYS 70 ALA 71 ALA 72 GLU 73 VAL 74 ALA 75 LEU 76 LYS 77 HIS 78 LEU 79 LYS 80 GLY 81 GLY 82 SER 83 MET 84 LEU 85 GLU 86 PRO 87 ALA 88 LEU 89 GLU 90 ASP 91 SER 92 SER 93 SER 94 PHE 95 SER 96 PRO 97 LEU 98 ASP 99 SER 100 SER 101 LEU 102 PRO 103 GLU 104 ASP 105 ILE 106 PRO 107 VAL 108 PHE 109 THR 110 ALA 111 ALA 112 ALA 113 ALA 114 ALA 115 THR 116 PRO 117 VAL 118 PRO 119 SER 120 VAL 121 VAL 122 LEU 123 THR 124 ARG 125 SER 126 PRO 127 ALA 128 MET 129 GLU 130 LEU 131 GLN 132 PRO 133 PRO 134 VAL 135 SER 136 PRO 137 GLN 138 GLN 139 SER 140 GLU 141 CYS 142 ASN 143 PRO 144 VAL 145 GLY 146 ALA 147 LEU 148 GLN 149 GLU 150 LEU 151 VAL 152 VAL 153 GLN 154 LYS 155 GLY 156 TRP 157 ARG 158 LEU 159 PRO 160 GLU 161 TYR 162 THR 163 VAL 164 THR 165 GLN 166 GLU 167 SER 168 GLY 169 PRO 170 ALA 171 HIS 172 ARG 173 LYS 174 GLU 175 PHE 176 THR 177 MET 178 THR 179 CYS 180 ARG 181 VAL 182 GLU 183 ARG 184 PHE 185 ILE 186 GLU 187 ILE 188 GLY 189 SER 190 GLY 191 THR 192 SER 193 LYS 194 LYS 195 LEU 196 ALA 197 LYS 198 ARG 199 ASN 200 ALA 201 ALA 202 ALA 203 LYS 204 MET 205 LEU 206 LEU 207 ARG 208 VAL 209 HIS 210 THR 211 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 DBJ BAF83426 "unnamed protein product [Homo sapiens]" 99.53 366 99.05 99.05 1.98e-146 DBJ BAG73796 "TAR (HIV-1) RNA binding protein 2 [synthetic construct]" 99.53 366 99.52 99.52 1.76e-147 GB AAA36765 "TAR RNA binding protein [Homo sapiens]" 98.10 345 100.00 100.00 2.41e-146 GB AAB50581 "TAR RNA binding protein 2 [Homo sapiens]" 99.53 366 99.52 99.52 2.29e-147 GB AAH05860 "TAR (HIV-1) RNA binding protein 2 [Homo sapiens]" 99.53 366 99.52 99.52 1.76e-147 GB AAI22654 "TAR (HIV-1) RNA binding protein 2 [Bos taurus]" 99.53 319 97.14 98.10 4.49e-144 GB AAP35804 "TAR (HIV) RNA binding protein 2 [Homo sapiens]" 99.53 366 99.52 99.52 1.76e-147 PIR A38430 "trans-activation-responsive RNA-binding protein - human (fragment)" 99.05 363 99.52 100.00 1.20e-146 REF NP_001069146 "RISC-loading complex subunit TARBP2 [Bos taurus]" 99.53 366 97.14 98.10 1.34e-143 REF NP_004169 "RISC-loading complex subunit TARBP2 isoform b [Homo sapiens]" 98.10 345 99.52 99.52 2.78e-145 REF NP_599150 "RISC-loading complex subunit TARBP2 isoform a [Homo sapiens]" 99.53 366 99.52 99.52 1.76e-147 REF NP_599151 "RISC-loading complex subunit TARBP2 isoform b [Homo sapiens]" 98.10 345 99.52 99.52 2.78e-145 REF XP_002752581 "PREDICTED: RISC-loading complex subunit TARBP2 isoform X1 [Callithrix jacchus]" 99.53 366 98.10 99.52 1.74e-146 SP Q0IIG6 "RecName: Full=RISC-loading complex subunit TARBP2" 99.53 366 97.14 98.10 1.34e-143 SP Q15633 "RecName: Full=RISC-loading complex subunit TARBP2; AltName: Full=TAR RNA-binding protein 2; AltName: Full=Trans-activation-resp" 99.53 366 99.52 99.52 1.76e-147 TPG DAA30027 "TPA: RISC-loading complex subunit TARBP2 [Bos taurus]" 99.53 366 97.14 98.10 1.34e-143 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TAR-RNA_binding_protein_2_(TRBP2)_(19-228) Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $TAR-RNA_binding_protein_2_(TRBP2)_(19-228) 'recombinant technology' . Escherichia coli . pLX06 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 'potassium phosphate' 23.5 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'magnesium chloride' 10 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' $TAR-RNA_binding_protein_2_(TRBP2)_(19-228) 600 uM '[U-99% 13C; U-99% 15N; U-99.8% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 23.5 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'magnesium chloride' 10 mM 'natural abundance' tris(2-carboxyethyl)phosphine 2 mM 'natural abundance' $TAR-RNA_binding_protein_2_(TRBP2)_(19-228) 300 uM '[U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model NMRS _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model NMRS _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_BEST_TROSY_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST TROSY HNCACB' _Sample_label $sample_1 save_ save_3D_BEST_TROSY_HN(CO)CACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST TROSY HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_BEST_TROSY_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST TROSY HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_BEST_TROSY_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N BEST TROSY HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N-BEST_TROSY_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N-BEST TROSY HSQC' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . 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 water C 13 protons ppm 0.00 . indirect . . . 0.251449530 water H 1 protons ppm 4.7729 internal indirect . . . 1 water N 15 protons ppm 0.00 . 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 . loop_ _Experiment_label '3D BEST TROSY HNCACB' '3D BEST TROSY HN(CO)CACB' '3D BEST TROSY HNCO' '2D 1H-15N BEST TROSY HSQC' 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 'TAR-RNA binding protein 2 (19-228)' _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 3 3 GLU H H 8.860 0.001 1 2 3 3 GLU C C 177.128 0.2 1 3 3 3 GLU CA C 57.827 0.029 1 4 3 3 GLU CB C 28.321 0.042 1 5 3 3 GLU N N 124.198 0.2 1 6 4 4 GLN H H 8.150 0.05 1 7 4 4 GLN C C 176.726 0.2 1 8 4 4 GLN CA C 56.425 0.042 1 9 4 4 GLN CB C 27.997 0.002 1 10 4 4 GLN N N 121.116 0.2 1 11 5 5 MET H H 8.100 0.002 1 12 5 5 MET C C 176.957 0.2 1 13 5 5 MET CA C 56.145 0.2 1 14 5 5 MET CB C 31.892 0.024 1 15 5 5 MET N N 121.636 0.005 1 16 6 6 LEU H H 8.123 0.001 1 17 6 6 LEU C C 177.747 0.2 1 18 6 6 LEU CA C 55.383 0.018 1 19 6 6 LEU CB C 40.876 0.008 1 20 6 6 LEU N N 122.566 0.037 1 21 7 7 ALA H H 7.961 0.001 1 22 7 7 ALA C C 177.643 0.2 1 23 7 7 ALA CA C 52.365 0.004 1 24 7 7 ALA CB C 18.251 0.008 1 25 7 7 ALA N N 124.085 0.047 1 26 8 8 ALA H H 7.876 0.002 1 27 8 8 ALA C C 177.081 0.2 1 28 8 8 ALA CA C 51.884 0.004 1 29 8 8 ALA CB C 18.728 0.2 1 30 8 8 ALA N N 121.857 0.047 1 31 9 9 ASN H H 8.033 0.002 1 32 9 9 ASN CA C 50.865 0.2 1 33 9 9 ASN CB C 38.880 0.2 1 34 9 9 ASN N N 118.543 0.007 1 35 10 10 PRO C C 177.553 0.2 1 36 10 10 PRO CA C 63.384 0.2 1 37 10 10 PRO CB C 30.922 0.2 1 38 11 11 GLY H H 8.386 0.001 1 39 11 11 GLY C C 174.080 0.2 1 40 11 11 GLY CA C 44.861 0.009 1 41 11 11 GLY N N 109.349 0.031 1 42 12 12 LYS H H 7.939 0.001 1 43 12 12 LYS C C 176.159 0.2 1 44 12 12 LYS CA C 55.378 0.013 1 45 12 12 LYS CB C 32.829 0.042 1 46 12 12 LYS N N 121.151 0.051 1 47 13 13 THR H H 8.180 0.002 1 48 13 13 THR CA C 58.889 0.2 1 49 13 13 THR CB C 69.361 0.2 1 50 13 13 THR N N 113.239 0.035 1 51 14 14 PRO C C 177.876 0.2 1 52 14 14 PRO CA C 65.353 0.2 1 53 14 14 PRO CB C 31.333 0.2 1 54 15 15 ILE H H 6.912 0.002 1 55 15 15 ILE C C 179.326 0.2 1 56 15 15 ILE CA C 63.940 0.052 1 57 15 15 ILE CB C 37.349 0.008 1 58 15 15 ILE N N 114.478 0.007 1 59 16 16 SER H H 7.720 0.001 1 60 16 16 SER C C 177.382 0.2 1 61 16 16 SER CA C 61.180 0.017 1 62 16 16 SER CB C 62.320 0.026 1 63 16 16 SER N N 119.479 0.048 1 64 17 17 LEU H H 8.477 0.001 1 65 17 17 LEU C C 180.118 0.2 1 66 17 17 LEU CA C 57.467 0.043 1 67 17 17 LEU CB C 41.381 0.003 1 68 17 17 LEU N N 124.142 0.023 1 69 18 18 LEU H H 8.408 0.001 1 70 18 18 LEU C C 178.254 0.2 1 71 18 18 LEU CA C 57.112 0.2 1 72 18 18 LEU CB C 39.885 0.008 1 73 18 18 LEU N N 122.124 0.047 1 74 19 19 GLN H H 7.946 0.002 1 75 19 19 GLN C C 178.708 0.2 1 76 19 19 GLN CA C 58.909 0.030 1 77 19 19 GLN CB C 27.094 0.001 1 78 19 19 GLN N N 120.900 0.047 1 79 20 20 GLU H H 8.100 0.001 1 80 20 20 GLU C C 179.112 0.2 1 81 20 20 GLU CA C 56.303 0.2 1 82 20 20 GLU CB C 28.439 0.005 1 83 20 20 GLU N N 121.204 0.033 1 84 21 21 TYR H H 8.027 0.002 1 85 21 21 TYR C C 177.410 0.2 1 86 21 21 TYR CA C 61.383 0.006 1 87 21 21 TYR CB C 37.384 0.001 1 88 21 21 TYR N N 121.993 0.053 1 89 22 22 GLY H H 8.854 0.001 1 90 22 22 GLY C C 176.645 0.2 1 91 22 22 GLY CA C 46.885 0.003 1 92 22 22 GLY N N 106.577 0.035 1 93 23 23 THR H H 8.439 0.002 1 94 23 23 THR C C 177.070 0.2 1 95 23 23 THR CA C 66.261 0.2 1 96 23 23 THR CB C 68.329 0.030 1 97 23 23 THR N N 118.596 0.028 1 98 24 24 ARG H H 7.565 0.002 1 99 24 24 ARG C C 178.337 0.2 1 100 24 24 ARG CA C 58.887 0.014 1 101 24 24 ARG CB C 28.909 0.022 1 102 24 24 ARG N N 122.255 0.2 1 103 25 25 ILE H H 7.371 0.001 1 104 25 25 ILE C C 176.189 0.2 1 105 25 25 ILE CA C 60.893 0.005 1 106 25 25 ILE CB C 37.832 0.021 1 107 25 25 ILE N N 110.294 0.040 1 108 26 26 GLY H H 7.711 0.002 1 109 26 26 GLY C C 177.604 0.2 1 110 26 26 GLY CA C 45.953 0.066 1 111 26 26 GLY N N 112.295 0.007 1 112 27 27 LYS H H 8.243 0.002 1 113 27 27 LYS C C 176.586 0.2 1 114 27 27 LYS CA C 53.443 0.047 1 115 27 27 LYS CB C 34.476 0.021 1 116 27 27 LYS N N 120.627 0.008 1 117 28 28 THR H H 8.203 0.001 1 118 28 28 THR CA C 59.900 0.2 1 119 28 28 THR CB C 69.859 0.2 1 120 28 28 THR N N 118.910 0.020 1 121 29 29 PRO C C 175.919 0.2 1 122 29 29 PRO CA C 62.029 0.2 1 123 29 29 PRO CB C 31.802 0.2 1 124 30 30 VAL H H 8.445 0.001 1 125 30 30 VAL C C 175.344 0.2 1 126 30 30 VAL CA C 60.919 0.016 1 127 30 30 VAL CB C 33.857 0.022 1 128 30 30 VAL N N 124.632 0.042 1 129 31 31 TYR H H 9.140 0.002 1 130 31 31 TYR C C 175.394 0.2 1 131 31 31 TYR CA C 56.890 0.012 1 132 31 31 TYR CB C 39.814 0.058 1 133 31 31 TYR N N 128.453 0.007 1 134 32 32 ASP H H 9.492 0.002 1 135 32 32 ASP C C 173.523 0.2 1 136 32 32 ASP CA C 52.882 0.004 1 137 32 32 ASP CB C 44.359 0.007 1 138 32 32 ASP N N 122.655 0.043 1 139 33 33 LEU H H 8.601 0.002 1 140 33 33 LEU C C 175.922 0.2 1 141 33 33 LEU CA C 54.845 0.2 1 142 33 33 LEU CB C 39.883 0.004 1 143 33 33 LEU N N 127.664 0.045 1 144 34 34 LEU H H 8.489 0.002 1 145 34 34 LEU C C 177.067 0.2 1 146 34 34 LEU CA C 54.926 0.039 1 147 34 34 LEU CB C 41.387 0.002 1 148 34 34 LEU N N 129.351 0.047 1 149 35 35 LYS H H 7.745 0.001 1 150 35 35 LYS C C 174.374 0.2 1 151 35 35 LYS CA C 55.835 0.016 1 152 35 35 LYS CB C 33.879 0.010 1 153 35 35 LYS N N 119.044 0.007 1 154 36 36 ALA H H 8.445 0.003 1 155 36 36 ALA C C 176.198 0.2 1 156 36 36 ALA CA C 51.328 0.2 1 157 36 36 ALA CB C 19.858 0.2 1 158 36 36 ALA N N 127.761 0.007 1 159 37 37 GLU H H 8.126 0.003 1 160 37 37 GLU C C 176.504 0.2 1 161 37 37 GLU CA C 54.911 0.2 1 162 37 37 GLU CB C 30.815 0.2 1 163 37 37 GLU N N 122.378 0.044 1 164 38 38 GLY H H 8.380 0.001 1 165 38 38 GLY C C 174.256 0.2 1 166 38 38 GLY CA C 44.876 0.001 1 167 38 38 GLY N N 110.188 0.006 1 168 39 39 GLN H H 8.188 0.002 1 169 39 39 GLN C C 176.175 0.2 1 170 39 39 GLN CA C 55.444 0.029 1 171 39 39 GLN CB C 28.530 0.006 1 172 39 39 GLN N N 119.637 0.049 1 173 40 40 ALA H H 8.193 0.004 1 174 40 40 ALA C C 177.717 0.2 1 175 40 40 ALA CA C 52.633 0.011 1 176 40 40 ALA N N 123.789 0.005 1 177 41 41 HIS H H 8.200 0.001 1 178 41 41 HIS C C 174.707 0.2 1 179 41 41 HIS CA C 56.307 0.2 1 180 41 41 HIS CB C 28.887 0.2 1 181 41 41 HIS N N 115.870 0.2 1 182 42 42 GLN H H 7.783 0.001 1 183 42 42 GLN CA C 52.883 0.2 1 184 42 42 GLN CB C 28.428 0.053 1 185 42 42 GLN N N 120.628 0.007 1 186 43 43 PRO C C 176.077 0.2 1 187 43 43 PRO CA C 62.892 0.2 1 188 43 43 PRO CB C 31.392 0.2 1 189 44 44 ASN H H 7.712 0.002 1 190 44 44 ASN C C 173.226 0.2 1 191 44 44 ASN CA C 52.912 0.002 1 192 44 44 ASN CB C 40.834 0.2 1 193 44 44 ASN N N 117.626 0.049 1 194 45 45 PHE H H 8.851 0.001 1 195 45 45 PHE C C 174.588 0.2 1 196 45 45 PHE CA C 56.879 0.007 1 197 45 45 PHE CB C 41.348 0.022 1 198 45 45 PHE N N 122.784 0.007 1 199 46 46 THR H H 8.754 0.002 1 200 46 46 THR C C 173.718 0.2 1 201 46 46 THR CA C 61.438 0.056 1 202 46 46 THR CB C 69.896 0.007 1 203 46 46 THR N N 116.398 0.058 1 204 47 47 PHE H H 9.316 0.001 1 205 47 47 PHE C C 174.322 0.2 1 206 47 47 PHE CA C 56.395 0.008 1 207 47 47 PHE CB C 43.389 0.026 1 208 47 47 PHE N N 126.484 0.033 1 209 48 48 ARG H H 9.371 0.001 1 210 48 48 ARG C C 174.896 0.2 1 211 48 48 ARG CA C 53.823 0.006 1 212 48 48 ARG CB C 32.964 0.026 1 213 48 48 ARG N N 121.594 0.2 1 214 49 49 VAL H H 9.191 0.001 1 215 49 49 VAL C C 172.524 0.2 1 216 49 49 VAL CA C 57.895 0.013 1 217 49 49 VAL CB C 34.339 0.2 1 218 49 49 VAL N N 126.247 0.032 1 219 50 50 THR H H 8.440 0.001 1 220 50 50 THR C C 173.958 0.2 1 221 50 50 THR CA C 61.533 0.2 1 222 50 50 THR CB C 70.376 0.017 1 223 50 50 THR N N 124.206 0.044 1 224 51 51 VAL H H 8.983 0.002 1 225 51 51 VAL C C 175.619 0.2 1 226 51 51 VAL CA C 59.895 0.008 1 227 51 51 VAL CB C 31.979 0.029 1 228 51 51 VAL N N 126.869 0.032 1 229 52 52 GLY H H 9.092 0.002 1 230 52 52 GLY C C 174.013 0.2 1 231 52 52 GLY CA C 46.856 0.003 1 232 52 52 GLY N N 117.706 0.060 1 233 53 53 ASP H H 8.636 0.003 1 234 53 53 ASP C C 175.773 0.2 1 235 53 53 ASP CA C 54.322 0.033 1 236 53 53 ASP CB C 40.362 0.023 1 237 53 53 ASP N N 127.222 0.007 1 238 54 54 THR H H 7.842 0.001 1 239 54 54 THR C C 172.627 0.2 1 240 54 54 THR CA C 62.865 0.2 1 241 54 54 THR CB C 69.839 0.021 1 242 54 54 THR N N 119.114 0.007 1 243 55 55 SER H H 8.505 0.002 1 244 55 55 SER C C 174.012 0.2 1 245 55 55 SER CA C 56.385 0.2 1 246 55 55 SER CB C 64.801 0.073 1 247 55 55 SER N N 122.045 0.052 1 248 56 56 CYS H H 8.800 0.001 1 249 56 56 CYS C C 172.626 0.2 1 250 56 56 CYS CA C 56.418 0.018 1 251 56 56 CYS CB C 32.384 0.2 1 252 56 56 CYS N N 121.716 0.047 1 253 57 57 THR H H 8.362 0.001 1 254 57 57 THR C C 173.889 0.2 1 255 57 57 THR CA C 59.057 0.065 1 256 57 57 THR CB C 71.927 0.044 1 257 57 57 THR N N 111.189 0.046 1 258 58 58 GLY H H 8.814 0.001 1 259 58 58 GLY C C 170.956 0.2 1 260 58 58 GLY CA C 43.916 0.009 1 261 58 58 GLY N N 105.857 0.048 1 262 59 59 GLN H H 8.066 0.002 1 263 59 59 GLN C C 176.117 0.2 1 264 59 59 GLN CA C 53.384 0.004 1 265 59 59 GLN CB C 32.400 0.022 1 266 59 59 GLN N N 119.809 0.007 1 267 60 60 GLY H H 8.564 0.002 1 268 60 60 GLY CA C 45.390 0.2 1 269 60 60 GLY N N 106.744 0.047 1 270 61 61 PRO C C 174.597 0.2 1 271 61 61 PRO CA C 63.881 0.2 1 272 61 61 PRO CB C 31.346 0.2 1 273 62 62 SER H H 7.431 0.002 1 274 62 62 SER C C 173.848 0.2 1 275 62 62 SER CA C 55.370 0.014 1 276 62 62 SER CB C 65.921 0.038 1 277 62 62 SER N N 111.970 0.055 1 278 63 63 LYS H H 8.510 0.002 1 279 63 63 LYS C C 177.660 0.2 1 280 63 63 LYS CA C 60.881 0.016 1 281 63 63 LYS CB C 30.929 0.051 1 282 63 63 LYS N N 123.644 0.053 1 283 64 64 LYS H H 8.091 0.002 1 284 64 64 LYS C C 178.114 0.2 1 285 64 64 LYS CA C 59.354 0.014 1 286 64 64 LYS CB C 31.424 0.063 1 287 64 64 LYS N N 118.371 0.032 1 288 65 65 ALA H H 7.867 0.003 1 289 65 65 ALA C C 180.713 0.2 1 290 65 65 ALA CA C 54.344 0.027 1 291 65 65 ALA CB C 17.863 0.020 1 292 65 65 ALA N N 120.525 0.049 1 293 66 66 ALA H H 8.113 0.003 1 294 66 66 ALA C C 178.091 0.2 1 295 66 66 ALA CA C 54.905 0.007 1 296 66 66 ALA CB C 19.155 0.009 1 297 66 66 ALA N N 121.276 0.034 1 298 67 67 LYS H H 7.868 0.002 1 299 67 67 LYS C C 177.951 0.2 1 300 67 67 LYS CA C 60.312 0.032 1 301 67 67 LYS CB C 31.396 0.042 1 302 67 67 LYS N N 119.861 0.046 1 303 68 68 HIS H H 8.018 0.002 1 304 68 68 HIS C C 177.439 0.2 1 305 68 68 HIS CA C 59.908 0.027 1 306 68 68 HIS CB C 30.246 0.023 1 307 68 68 HIS N N 116.930 0.043 1 308 69 69 LYS H H 8.043 0.003 1 309 69 69 LYS C C 176.255 0.2 1 310 69 69 LYS CA C 56.933 0.063 1 311 69 69 LYS CB C 29.916 0.004 1 312 69 69 LYS N N 119.155 0.007 1 313 70 70 ALA H H 8.331 0.003 1 314 70 70 ALA C C 178.459 0.2 1 315 70 70 ALA CA C 56.065 0.2 1 316 70 70 ALA CB C 16.394 0.014 1 317 70 70 ALA N N 122.152 0.038 1 318 71 71 ALA H H 7.917 0.002 1 319 71 71 ALA C C 179.105 0.2 1 320 71 71 ALA CA C 54.871 0.001 1 321 71 71 ALA CB C 16.822 0.2 1 322 71 71 ALA N N 118.367 0.043 1 323 72 72 GLU H H 8.398 0.001 1 324 72 72 GLU C C 179.392 0.2 1 325 72 72 GLU CA C 59.393 0.007 1 326 72 72 GLU CB C 29.429 0.010 1 327 72 72 GLU N N 119.560 0.058 1 328 73 73 VAL H H 8.434 0.002 1 329 73 73 VAL C C 179.158 0.2 1 330 73 73 VAL CA C 66.296 0.003 1 331 73 73 VAL CB C 30.920 0.001 1 332 73 73 VAL N N 121.527 0.047 1 333 74 74 ALA H H 8.258 0.001 1 334 74 74 ALA C C 179.680 0.2 1 335 74 74 ALA CA C 54.975 0.055 1 336 74 74 ALA CB C 17.414 0.038 1 337 74 74 ALA N N 124.163 0.047 1 338 75 75 LEU H H 8.437 0.002 1 339 75 75 LEU C C 177.599 0.2 1 340 75 75 LEU CA C 57.731 0.033 1 341 75 75 LEU CB C 40.913 0.010 1 342 75 75 LEU N N 118.624 0.045 1 343 76 76 LYS H H 7.670 0.001 1 344 76 76 LYS C C 179.140 0.2 1 345 76 76 LYS CA C 58.856 0.023 1 346 76 76 LYS CB C 31.373 0.002 1 347 76 76 LYS N N 118.661 0.046 1 348 77 77 HIS H H 8.031 0.001 1 349 77 77 HIS C C 177.344 0.2 1 350 77 77 HIS CA C 58.404 0.001 1 351 77 77 HIS CB C 29.340 0.016 1 352 77 77 HIS N N 119.057 0.058 1 353 78 78 LEU H H 8.260 0.001 1 354 78 78 LEU C C 178.235 0.2 1 355 78 78 LEU CA C 56.378 0.2 1 356 78 78 LEU CB C 41.353 0.2 1 357 78 78 LEU N N 120.468 0.058 1 358 79 79 LYS H H 7.899 0.002 1 359 79 79 LYS C C 177.730 0.2 1 360 79 79 LYS CA C 56.897 0.002 1 361 79 79 LYS CB C 31.405 0.023 1 362 79 79 LYS N N 118.941 0.050 1 363 80 80 GLY H H 7.900 0.003 1 364 80 80 GLY C C 174.847 0.2 1 365 80 80 GLY CA C 45.398 0.023 1 366 80 80 GLY N N 108.474 0.006 1 367 81 81 GLY H H 8.086 0.002 1 368 81 81 GLY C C 174.271 0.2 1 369 81 81 GLY CA C 44.897 0.004 1 370 81 81 GLY N N 109.043 0.006 1 371 82 82 SER H H 8.135 0.004 1 372 82 82 SER C C 174.630 0.2 1 373 82 82 SER CA C 58.319 0.044 1 374 82 82 SER CB C 63.266 0.067 1 375 82 82 SER N N 115.993 0.006 1 376 83 83 MET H H 8.312 0.001 1 377 83 83 MET C C 175.886 0.2 1 378 83 83 MET CA C 55.376 0.065 1 379 83 83 MET CB C 31.899 0.015 1 380 83 83 MET N N 121.798 0.005 1 381 84 84 LEU H H 8.041 0.002 1 382 84 84 LEU C C 177.296 0.2 1 383 84 84 LEU CA C 54.871 0.013 1 384 84 84 LEU CB C 41.394 0.019 1 385 84 84 LEU N N 122.571 0.007 1 386 85 85 GLU H H 8.337 0.001 1 387 85 85 GLU CA C 55.841 0.2 1 388 85 85 GLU CB C 29.187 0.2 1 389 85 85 GLU N N 121.829 0.040 1 390 86 86 PRO C C 175.797 0.2 1 391 86 86 PRO CA C 63.000 0.2 1 392 86 86 PRO CB C 31.026 0.2 1 393 87 87 ALA H H 8.339 0.05 1 394 87 87 ALA C C 177.878 0.2 1 395 87 87 ALA CA C 51.905 0.2 1 396 87 87 ALA CB C 18.482 0.2 1 397 87 87 ALA N N 124.469 0.005 1 398 88 88 LEU H H 8.161 0.002 1 399 88 88 LEU C C 177.273 0.2 1 400 88 88 LEU CA C 54.880 0.043 1 401 88 88 LEU CB C 41.230 0.023 1 402 88 88 LEU N N 122.259 0.056 1 403 89 89 GLU H H 8.147 0.001 1 404 89 89 GLU C C 177.375 0.2 1 405 89 89 GLU CA C 54.983 0.005 1 406 89 89 GLU CB C 28.395 0.044 1 407 89 89 GLU N N 121.503 0.2 1 408 90 90 ASP H H 8.148 0.002 1 409 90 90 ASP C C 176.485 0.2 1 410 90 90 ASP CA C 53.889 0.018 1 411 90 90 ASP CB C 40.515 0.2 1 412 90 90 ASP N N 121.107 0.008 1 413 91 91 SER H H 8.300 0.002 1 414 91 91 SER C C 175.052 0.2 1 415 91 91 SER CA C 58.400 0.035 1 416 91 91 SER CB C 62.998 0.057 1 417 91 91 SER N N 117.621 0.055 1 418 92 92 SER H H 8.371 0.002 1 419 92 92 SER C C 174.693 0.2 1 420 92 92 SER CA C 58.608 0.2 1 421 92 92 SER CB C 63.199 0.037 1 422 92 92 SER N N 118.510 0.007 1 423 93 93 SER H H 8.107 0.001 1 424 93 93 SER C C 173.872 0.2 1 425 93 93 SER CA C 58.064 0.056 1 426 93 93 SER CB C 63.379 0.2 1 427 93 93 SER N N 117.791 0.007 1 428 94 94 PHE H H 8.031 0.002 1 429 94 94 PHE C C 174.545 0.2 1 430 94 94 PHE CA C 57.378 0.014 1 431 94 94 PHE CB C 38.926 0.056 1 432 94 94 PHE N N 122.568 0.047 1 433 95 95 SER H H 8.137 0.003 1 434 95 95 SER CA C 55.374 0.2 1 435 95 95 SER N N 120.162 0.047 1 436 96 96 PRO C C 177.006 0.2 1 437 96 96 PRO CA C 62.963 0.2 1 438 96 96 PRO CB C 31.003 0.2 1 439 97 97 LEU H H 8.162 0.001 1 440 97 97 LEU C C 177.328 0.2 1 441 97 97 LEU CA C 54.879 0.2 1 442 97 97 LEU CB C 41.434 0.011 1 443 97 97 LEU N N 122.020 0.021 1 444 98 98 ASP H H 8.150 0.001 1 445 98 98 ASP CA C 53.892 0.016 1 446 98 98 ASP CB C 40.406 0.021 1 447 98 98 ASP N N 121.099 0.2 1 448 99 99 SER H H 8.156 0.001 1 449 99 99 SER C C 174.467 0.2 1 450 99 99 SER CA C 57.949 0.027 1 451 99 99 SER CB C 63.319 0.2 1 452 99 99 SER N N 117.063 0.047 1 453 100 100 SER H H 8.300 0.002 1 454 100 100 SER C C 174.008 0.2 1 455 100 100 SER CA C 58.166 0.2 1 456 100 100 SER CB C 63.301 0.012 1 457 100 100 SER N N 118.561 0.007 1 458 101 101 LEU H H 8.147 0.002 1 459 101 101 LEU CA C 52.869 0.2 1 460 101 101 LEU CB C 40.391 0.2 1 461 101 101 LEU N N 125.555 0.007 1 462 102 102 PRO C C 177.020 0.2 1 463 102 102 PRO CA C 62.916 0.2 1 464 102 102 PRO CB C 30.894 0.2 1 465 103 103 GLU H H 8.436 0.002 1 466 103 103 GLU C C 176.127 0.2 1 467 103 103 GLU CA C 56.287 0.068 1 468 103 103 GLU CB C 29.581 0.2 1 469 103 103 GLU N N 120.907 0.060 1 470 104 104 ASP H H 8.277 0.002 1 471 104 104 ASP C C 175.587 0.2 1 472 104 104 ASP CA C 53.890 0.001 1 473 104 104 ASP CB C 40.686 0.2 1 474 104 104 ASP N N 122.043 0.055 1 475 105 105 ILE H H 7.919 0.002 1 476 105 105 ILE CA C 58.368 0.2 1 477 105 105 ILE CB C 37.811 0.2 1 478 105 105 ILE N N 123.485 0.007 1 479 106 106 PRO C C 176.529 0.2 1 480 106 106 PRO CA C 62.652 0.2 1 481 106 106 PRO CB C 31.107 0.2 1 482 107 107 VAL H H 8.044 0.002 1 483 107 107 VAL C C 176.015 0.2 1 484 107 107 VAL CA C 61.884 0.012 1 485 107 107 VAL CB C 31.936 0.037 1 486 107 107 VAL N N 120.710 0.048 1 487 108 108 PHE H H 8.278 0.001 1 488 108 108 PHE C C 175.669 0.2 1 489 108 108 PHE CA C 57.367 0.017 1 490 108 108 PHE CB C 38.892 0.005 1 491 108 108 PHE N N 124.653 0.007 1 492 109 109 THR H H 7.948 0.002 1 493 109 109 THR C C 173.742 0.2 1 494 109 109 THR CA C 60.975 0.009 1 495 109 109 THR CB C 69.447 0.063 1 496 109 109 THR N N 117.884 0.007 1 497 110 110 ALA H H 8.178 0.002 1 498 110 110 ALA C C 177.631 0.2 1 499 110 110 ALA CA C 52.067 0.056 1 500 110 110 ALA CB C 18.390 0.004 1 501 110 110 ALA N N 127.247 0.007 1 502 111 111 ALA H H 8.107 0.001 1 503 111 111 ALA C C 177.506 0.2 1 504 111 111 ALA CA C 51.863 0.014 1 505 111 111 ALA CB C 18.478 0.062 1 506 111 111 ALA N N 123.731 0.007 1 507 112 112 ALA H H 8.088 0.001 1 508 112 112 ALA C C 177.410 0.2 1 509 112 112 ALA CA C 51.736 0.2 1 510 112 112 ALA CB C 18.452 0.069 1 511 112 112 ALA N N 123.650 0.2 1 512 113 113 ALA H H 8.149 0.002 1 513 113 113 ALA C C 177.331 0.2 1 514 113 113 ALA CA C 51.958 0.016 1 515 113 113 ALA CB C 18.370 0.2 1 516 113 113 ALA N N 123.822 0.007 1 517 114 114 ALA H H 8.135 0.002 1 518 114 114 ALA C C 177.576 0.2 1 519 114 114 ALA CA C 51.853 0.2 1 520 114 114 ALA CB C 18.434 0.2 1 521 114 114 ALA N N 123.853 0.045 1 522 115 115 THR H H 8.061 0.002 1 523 115 115 THR CA C 59.394 0.2 1 524 115 115 THR CB C 69.399 0.2 1 525 115 115 THR N N 117.157 0.007 1 526 116 116 PRO C C 176.666 0.2 1 527 116 116 PRO CA C 62.521 0.2 1 528 116 116 PRO CB C 31.391 0.2 1 529 117 117 VAL H H 8.196 0.001 1 530 117 117 VAL CA C 59.579 0.2 1 531 117 117 VAL CB C 31.410 0.2 1 532 117 117 VAL N N 122.775 0.016 1 533 118 118 PRO C C 176.862 0.2 1 534 118 118 PRO CA C 62.843 0.2 1 535 118 118 PRO CB C 31.373 0.2 1 536 119 119 SER H H 8.306 0.001 1 537 119 119 SER C C 174.594 0.2 1 538 119 119 SER CA C 57.897 0.007 1 539 119 119 SER CB C 63.413 0.2 1 540 119 119 SER N N 116.891 0.035 1 541 120 120 VAL H H 8.052 0.001 1 542 120 120 VAL C C 175.870 0.2 1 543 120 120 VAL CA C 61.891 0.007 1 544 120 120 VAL CB C 31.883 0.015 1 545 120 120 VAL N N 122.586 0.041 1 546 121 121 VAL H H 8.147 0.002 1 547 121 121 VAL C C 176.040 0.2 1 548 121 121 VAL CA C 61.897 0.005 1 549 121 121 VAL CB C 31.877 0.032 1 550 121 121 VAL N N 125.150 0.047 1 551 122 122 LEU H H 8.310 0.001 1 552 122 122 LEU C C 177.357 0.2 1 553 122 122 LEU CA C 54.807 0.005 1 554 122 122 LEU CB C 41.382 0.009 1 555 122 122 LEU N N 127.175 0.007 1 556 123 123 THR H H 8.045 0.003 1 557 123 123 THR C C 174.021 0.2 1 558 123 123 THR CA C 61.395 0.005 1 559 123 123 THR CB C 69.363 0.018 1 560 123 123 THR N N 116.210 0.056 1 561 124 124 ARG H H 8.263 0.001 1 562 124 124 ARG C C 175.899 0.2 1 563 124 124 ARG CA C 55.405 0.029 1 564 124 124 ARG CB C 30.214 0.025 1 565 124 124 ARG N N 124.169 0.047 1 566 125 125 SER H H 8.342 0.001 1 567 125 125 SER CA C 55.925 0.2 1 568 125 125 SER CB C 62.869 0.2 1 569 125 125 SER N N 119.647 0.007 1 570 126 126 PRO C C 176.763 0.2 1 571 126 126 PRO CA C 62.989 0.2 1 572 126 126 PRO CB C 31.237 0.2 1 573 127 127 ALA H H 8.195 0.001 1 574 127 127 ALA C C 177.899 0.2 1 575 127 127 ALA CA C 52.360 0.024 1 576 127 127 ALA CB C 18.240 0.009 1 577 127 127 ALA N N 123.783 0.2 1 578 128 128 MET H H 8.137 0.001 1 579 128 128 MET C C 175.987 0.2 1 580 128 128 MET CA C 55.210 0.2 1 581 128 128 MET CB C 32.348 0.2 1 582 128 128 MET N N 119.783 0.007 1 583 129 129 GLU H H 8.269 0.001 1 584 129 129 GLU C C 177.017 0.2 1 585 129 129 GLU CA C 55.921 0.041 1 586 129 129 GLU CB C 29.376 0.005 1 587 129 129 GLU N N 122.450 0.047 1 588 130 130 LEU H H 8.150 0.002 1 589 130 130 LEU C C 177.022 0.2 1 590 130 130 LEU CA C 54.852 0.003 1 591 130 130 LEU CB C 41.413 0.042 1 592 130 130 LEU N N 123.794 0.2 1 593 131 131 GLN H H 8.165 0.003 1 594 131 131 GLN CA C 53.781 0.2 1 595 131 131 GLN CB C 28.892 0.2 1 596 131 131 GLN N N 123.081 0.040 1 597 133 133 PRO C C 176.898 0.2 1 598 133 133 PRO CA C 62.375 0.2 1 599 133 133 PRO CB C 31.096 0.2 1 600 134 134 VAL H H 8.124 0.002 1 601 134 134 VAL C C 176.135 0.2 1 602 134 134 VAL CA C 61.423 0.014 1 603 134 134 VAL CB C 31.928 0.040 1 604 134 134 VAL N N 120.774 0.047 1 605 135 135 SER H H 8.356 0.002 1 606 135 135 SER CA C 55.880 0.2 1 607 135 135 SER CB C 62.861 0.2 1 608 135 135 SER N N 121.562 0.047 1 609 136 136 PRO C C 177.122 0.2 1 610 136 136 PRO CA C 62.885 0.2 1 611 136 136 PRO CB C 31.360 0.2 1 612 137 137 GLN H H 8.369 0.002 1 613 137 137 GLN C C 176.288 0.2 1 614 137 137 GLN CA C 55.856 0.2 1 615 137 137 GLN CB C 28.399 0.013 1 616 137 137 GLN N N 120.517 0.057 1 617 138 138 GLN H H 8.346 0.001 1 618 138 138 GLN C C 176.183 0.2 1 619 138 138 GLN CA C 55.860 0.014 1 620 138 138 GLN CB C 28.484 0.054 1 621 138 138 GLN N N 122.268 0.036 1 622 139 139 SER H H 8.279 0.002 1 623 139 139 SER C C 174.507 0.2 1 624 139 139 SER CA C 58.558 0.037 1 625 139 139 SER CB C 62.910 0.036 1 626 139 139 SER N N 117.285 0.046 1 627 140 140 GLU H H 8.260 0.001 1 628 140 140 GLU C C 176.372 0.2 1 629 140 140 GLU CA C 56.096 0.041 1 630 140 140 GLU CB C 29.303 0.055 1 631 140 140 GLU N N 122.805 0.044 1 632 141 141 CYS H H 8.288 0.002 1 633 141 141 CYS C C 174.166 0.2 1 634 141 141 CYS CA C 58.408 0.007 1 635 141 141 CYS CB C 27.360 0.2 1 636 141 141 CYS N N 121.382 0.046 1 637 142 142 ASN H H 8.791 0.002 1 638 142 142 ASN CA C 50.359 0.2 1 639 142 142 ASN CB C 37.875 0.2 1 640 142 142 ASN N N 121.393 0.047 1 641 143 143 PRO C C 177.603 0.2 1 642 143 143 PRO CA C 64.516 0.2 1 643 143 143 PRO CB C 30.984 0.2 1 644 144 144 VAL H H 7.793 0.002 1 645 144 144 VAL C C 179.794 0.2 1 646 144 144 VAL CA C 65.890 0.009 1 647 144 144 VAL CB C 30.917 0.2 1 648 144 144 VAL N N 118.418 0.007 1 649 145 145 GLY H H 7.308 0.001 1 650 145 145 GLY C C 176.106 0.2 1 651 145 145 GLY CA C 46.962 0.2 1 652 145 145 GLY N N 108.810 0.055 1 653 146 146 ALA H H 8.300 0.001 1 654 146 146 ALA C C 180.903 0.2 1 655 146 146 ALA CA C 54.371 0.010 1 656 146 146 ALA CB C 17.899 0.030 1 657 146 146 ALA N N 125.221 0.049 1 658 147 147 LEU H H 8.472 0.002 1 659 147 147 LEU C C 177.397 0.2 1 660 147 147 LEU CA C 57.415 0.059 1 661 147 147 LEU CB C 39.935 0.037 1 662 147 147 LEU N N 120.000 0.032 1 663 148 148 GLN H H 7.569 0.001 1 664 148 148 GLN C C 176.819 0.2 1 665 148 148 GLN CA C 59.891 0.001 1 666 148 148 GLN CB C 27.383 0.009 1 667 148 148 GLN N N 118.836 0.047 1 668 149 149 GLU H H 7.801 0.003 1 669 149 149 GLU C C 178.811 0.2 1 670 149 149 GLU CA C 58.850 0.019 1 671 149 149 GLU CB C 28.866 0.006 1 672 149 149 GLU N N 116.493 0.038 1 673 150 150 LEU H H 7.656 0.002 1 674 150 150 LEU C C 178.767 0.2 1 675 150 150 LEU CA C 57.422 0.2 1 676 150 150 LEU CB C 41.433 0.040 1 677 150 150 LEU N N 121.200 0.058 1 678 151 151 VAL H H 8.358 0.001 1 679 151 151 VAL C C 178.128 0.2 1 680 151 151 VAL CA C 65.886 0.003 1 681 151 151 VAL CB C 30.157 0.2 1 682 151 151 VAL N N 116.478 0.039 1 683 152 152 VAL H H 7.875 0.002 1 684 152 152 VAL C C 180.761 0.2 1 685 152 152 VAL CA C 65.719 0.004 1 686 152 152 VAL CB C 30.491 0.070 1 687 152 152 VAL N N 120.513 0.034 1 688 153 153 GLN H H 7.782 0.002 1 689 153 153 GLN C C 178.340 0.2 1 690 153 153 GLN CA C 58.403 0.017 1 691 153 153 GLN CB C 27.335 0.020 1 692 153 153 GLN N N 121.954 0.007 1 693 154 154 LYS H H 7.438 0.002 1 694 154 154 LYS C C 176.555 0.2 1 695 154 154 LYS CA C 55.840 0.2 1 696 154 154 LYS CB C 30.857 0.002 1 697 154 154 LYS N N 117.004 0.057 1 698 155 155 GLY H H 7.695 0.002 1 699 155 155 GLY C C 174.958 0.2 1 700 155 155 GLY CA C 44.893 0.014 1 701 155 155 GLY N N 107.482 0.031 1 702 156 156 TRP H H 7.592 0.002 1 703 156 156 TRP HE1 H 9.958 0.05 1 704 156 156 TRP C C 175.264 0.2 1 705 156 156 TRP CA C 52.904 0.2 1 706 156 156 TRP CB C 30.924 0.003 1 707 156 156 TRP N N 122.397 0.052 1 708 156 156 TRP NE1 N 128.238 0.2 1 709 157 157 ARG H H 8.387 0.003 1 710 157 157 ARG C C 175.877 0.2 1 711 157 157 ARG CA C 55.943 0.048 1 712 157 157 ARG CB C 29.791 0.035 1 713 157 157 ARG N N 119.931 0.037 1 714 158 158 LEU H H 7.819 0.002 1 715 158 158 LEU CA C 53.871 0.2 1 716 158 158 LEU CB C 39.315 0.2 1 717 158 158 LEU N N 118.690 0.045 1 718 159 159 PRO C C 175.504 0.2 1 719 159 159 PRO CA C 61.880 0.2 1 720 159 159 PRO CB C 31.842 0.2 1 721 160 160 GLU H H 8.374 0.001 1 722 160 160 GLU C C 175.642 0.2 1 723 160 160 GLU CA C 54.075 0.2 1 724 160 160 GLU CB C 31.881 0.004 1 725 160 160 GLU N N 123.035 0.050 1 726 161 161 TYR H H 9.089 0.002 1 727 161 161 TYR C C 176.217 0.2 1 728 161 161 TYR CA C 56.442 0.050 1 729 161 161 TYR CB C 39.409 0.001 1 730 161 161 TYR N N 127.477 0.034 1 731 162 162 THR H H 8.591 0.002 1 732 162 162 THR C C 173.336 0.2 1 733 162 162 THR CA C 60.807 0.053 1 734 162 162 THR CB C 71.242 0.049 1 735 162 162 THR N N 118.251 0.055 1 736 163 163 VAL H H 9.005 0.001 1 737 163 163 VAL C C 175.991 0.2 1 738 163 163 VAL CA C 62.418 0.064 1 739 163 163 VAL CB C 31.399 0.2 1 740 163 163 VAL N N 127.907 0.007 1 741 164 164 THR H H 8.722 0.002 1 742 164 164 THR C C 174.718 0.2 1 743 164 164 THR CA C 61.898 0.023 1 744 164 164 THR CB C 68.918 0.057 1 745 164 164 THR N N 122.184 0.007 1 746 165 165 GLN H H 7.947 0.001 1 747 165 165 GLN C C 173.731 0.2 1 748 165 165 GLN CA C 55.871 0.022 1 749 165 165 GLN CB C 30.855 0.009 1 750 165 165 GLN N N 121.930 0.041 1 751 166 166 GLU H H 8.359 0.004 1 752 166 166 GLU C C 175.227 0.2 1 753 166 166 GLU CA C 54.928 0.030 1 754 166 166 GLU CB C 30.415 0.007 1 755 166 166 GLU N N 124.524 0.058 1 756 167 167 SER H H 8.173 0.002 1 757 167 167 SER C C 173.752 0.2 1 758 167 167 SER CA C 57.373 0.004 1 759 167 167 SER CB C 64.441 0.056 1 760 167 167 SER N N 118.892 0.2 1 761 168 168 GLY H H 8.182 0.002 1 762 168 168 GLY CA C 43.882 0.2 1 763 168 168 GLY N N 109.904 0.041 1 764 169 169 PRO C C 176.980 0.2 1 765 169 169 PRO CA C 62.442 0.2 1 766 169 169 PRO CB C 31.372 0.2 1 767 170 170 ALA H H 8.387 0.001 1 768 170 170 ALA C C 178.024 0.2 1 769 170 170 ALA CA C 53.882 0.004 1 770 170 170 ALA CB C 17.581 0.054 1 771 170 170 ALA N N 121.342 0.007 1 772 171 171 HIS H H 7.945 0.001 1 773 171 171 HIS C C 174.875 0.2 1 774 171 171 HIS CA C 55.509 0.002 1 775 171 171 HIS CB C 28.909 0.054 1 776 171 171 HIS N N 113.208 0.052 1 777 172 172 ARG H H 7.799 0.002 1 778 172 172 ARG C C 174.371 0.2 1 779 172 172 ARG CA C 55.451 0.024 1 780 172 172 ARG CB C 29.444 0.001 1 781 172 172 ARG N N 124.143 0.014 1 782 173 173 LYS H H 8.147 0.001 1 783 173 173 LYS C C 176.242 0.2 1 784 173 173 LYS CA C 55.365 0.2 1 785 173 173 LYS CB C 32.371 0.005 1 786 173 173 LYS N N 123.340 0.046 1 787 174 174 GLU H H 8.119 0.001 1 788 174 174 GLU C C 175.099 0.2 1 789 174 174 GLU CA C 55.352 0.024 1 790 174 174 GLU CB C 31.377 0.2 1 791 174 174 GLU N N 120.154 0.047 1 792 175 175 PHE H H 8.799 0.001 1 793 175 175 PHE C C 175.484 0.2 1 794 175 175 PHE CA C 57.252 0.2 1 795 175 175 PHE CB C 41.376 0.005 1 796 175 175 PHE N N 122.084 0.047 1 797 176 176 THR H H 8.744 0.002 1 798 176 176 THR C C 173.516 0.2 1 799 176 176 THR CA C 61.334 0.011 1 800 176 176 THR CB C 70.257 0.064 1 801 176 176 THR N N 116.927 0.040 1 802 177 177 MET H H 9.401 0.001 1 803 177 177 MET C C 174.595 0.2 1 804 177 177 MET CA C 53.381 0.2 1 805 177 177 MET CB C 36.468 0.070 1 806 177 177 MET N N 125.711 0.007 1 807 178 178 THR H H 9.236 0.002 1 808 178 178 THR C C 173.600 0.2 1 809 178 178 THR CA C 60.862 0.014 1 810 178 178 THR CB C 69.883 0.007 1 811 178 178 THR N N 117.224 0.007 1 812 179 179 CYS H H 9.178 0.002 1 813 179 179 CYS C C 172.048 0.2 1 814 179 179 CYS CA C 56.439 0.053 1 815 179 179 CYS CB C 28.930 0.050 1 816 179 179 CYS N N 125.001 0.032 1 817 180 180 ARG H H 8.706 0.001 1 818 180 180 ARG C C 176.018 0.2 1 819 180 180 ARG CA C 53.890 0.015 1 820 180 180 ARG CB C 32.366 0.011 1 821 180 180 ARG N N 129.176 0.007 1 822 181 181 VAL H H 8.115 0.002 1 823 181 181 VAL C C 176.383 0.2 1 824 181 181 VAL CA C 60.876 0.015 1 825 181 181 VAL CB C 34.990 0.002 1 826 181 181 VAL N N 127.459 0.037 1 827 182 182 GLU H H 8.863 0.002 1 828 182 182 GLU C C 175.897 0.2 1 829 182 182 GLU CA C 57.871 0.001 1 830 182 182 GLU CB C 25.884 0.009 1 831 182 182 GLU N N 124.476 0.2 1 832 183 183 ARG H H 7.422 0.001 1 833 183 183 ARG C C 175.833 0.2 1 834 183 183 ARG CA C 55.422 0.056 1 835 183 183 ARG CB C 28.389 0.025 1 836 183 183 ARG N N 121.369 0.045 1 837 184 184 PHE H H 8.669 0.002 1 838 184 184 PHE C C 175.350 0.2 1 839 184 184 PHE CA C 56.301 0.005 1 840 184 184 PHE CB C 40.332 0.041 1 841 184 184 PHE N N 122.865 0.007 1 842 185 185 ILE H H 8.492 0.002 1 843 185 185 ILE C C 175.164 0.2 1 844 185 185 ILE CA C 59.896 0.001 1 845 185 185 ILE CB C 40.366 0.2 1 846 185 185 ILE N N 122.563 0.038 1 847 186 186 GLU H H 8.606 0.001 1 848 186 186 GLU C C 174.527 0.2 1 849 186 186 GLU CA C 53.878 0.005 1 850 186 186 GLU CB C 33.878 0.001 1 851 186 186 GLU N N 125.011 0.032 1 852 187 187 ILE H H 8.887 0.001 1 853 187 187 ILE C C 175.732 0.2 1 854 187 187 ILE CA C 59.847 0.016 1 855 187 187 ILE CB C 39.869 0.007 1 856 187 187 ILE N N 121.210 0.034 1 857 188 188 GLY H H 9.212 0.002 1 858 188 188 GLY C C 171.781 0.2 1 859 188 188 GLY CA C 43.346 0.009 1 860 188 188 GLY N N 112.806 0.006 1 861 189 189 SER H H 8.665 0.002 1 862 189 189 SER C C 174.093 0.2 1 863 189 189 SER CA C 56.315 0.050 1 864 189 189 SER CB C 66.035 0.026 1 865 189 189 SER N N 115.627 0.029 1 866 190 190 GLY H H 8.581 0.002 1 867 190 190 GLY C C 172.670 0.2 1 868 190 190 GLY CA C 45.376 0.001 1 869 190 190 GLY N N 107.459 0.026 1 870 191 191 THR H H 8.326 0.002 1 871 191 191 THR C C 173.241 0.2 1 872 191 191 THR CA C 62.403 0.002 1 873 191 191 THR CB C 68.376 0.009 1 874 191 191 THR N N 110.217 0.056 1 875 192 192 SER H H 7.528 0.002 1 876 192 192 SER C C 173.976 0.2 1 877 192 192 SER CA C 55.380 0.002 1 878 192 192 SER CB C 65.926 0.006 1 879 192 192 SER N N 112.662 0.034 1 880 193 193 LYS H H 8.441 0.002 1 881 193 193 LYS C C 177.674 0.2 1 882 193 193 LYS CA C 60.363 0.012 1 883 193 193 LYS CB C 30.844 0.2 1 884 193 193 LYS N N 123.929 0.044 1 885 194 194 LYS H H 7.936 0.002 1 886 194 194 LYS C C 179.244 0.2 1 887 194 194 LYS CA C 59.362 0.006 1 888 194 194 LYS CB C 31.458 0.067 1 889 194 194 LYS N N 118.491 0.033 1 890 195 195 LEU H H 7.663 0.002 1 891 195 195 LEU C C 178.879 0.2 1 892 195 195 LEU CA C 56.903 0.007 1 893 195 195 LEU CB C 40.881 0.001 1 894 195 195 LEU N N 120.437 0.033 1 895 196 196 ALA H H 8.061 0.004 1 896 196 196 ALA C C 178.631 0.2 1 897 196 196 ALA CA C 55.342 0.003 1 898 196 196 ALA CB C 17.434 0.050 1 899 196 196 ALA N N 123.246 0.056 1 900 197 197 LYS H H 8.157 0.002 1 901 197 197 LYS C C 179.072 0.2 1 902 197 197 LYS CA C 59.896 0.002 1 903 197 197 LYS CB C 31.868 0.002 1 904 197 197 LYS N N 118.925 0.047 1 905 198 198 ARG H H 7.668 0.003 1 906 198 198 ARG C C 177.748 0.2 1 907 198 198 ARG CA C 59.390 0.006 1 908 198 198 ARG CB C 29.421 0.032 1 909 198 198 ARG N N 118.421 0.047 1 910 199 199 ASN H H 8.169 0.001 1 911 199 199 ASN C C 177.720 0.2 1 912 199 199 ASN CA C 55.914 0.055 1 913 199 199 ASN CB C 38.312 0.039 1 914 199 199 ASN N N 117.597 0.040 1 915 200 200 ALA H H 8.373 0.002 1 916 200 200 ALA C C 178.947 0.2 1 917 200 200 ALA CA C 54.899 0.011 1 918 200 200 ALA CB C 17.430 0.054 1 919 200 200 ALA N N 123.965 0.034 1 920 201 201 ALA H H 8.589 0.001 1 921 201 201 ALA C C 179.665 0.2 1 922 201 201 ALA CA C 54.513 0.2 1 923 201 201 ALA CB C 17.804 0.2 1 924 201 201 ALA N N 119.869 0.057 1 925 202 202 ALA H H 8.541 0.002 1 926 202 202 ALA C C 181.199 0.2 1 927 202 202 ALA CA C 54.934 0.059 1 928 202 202 ALA CB C 17.466 0.024 1 929 202 202 ALA N N 120.001 0.028 1 930 203 203 LYS H H 7.646 0.001 1 931 203 203 LYS C C 180.131 0.2 1 932 203 203 LYS CA C 59.043 0.035 1 933 203 203 LYS CB C 31.919 0.048 1 934 203 203 LYS N N 118.438 0.047 1 935 204 204 MET H H 8.278 0.002 1 936 204 204 MET C C 177.721 0.2 1 937 204 204 MET CA C 55.871 0.002 1 938 204 204 MET CB C 28.873 0.003 1 939 204 204 MET N N 121.381 0.046 1 940 205 205 LEU H H 8.759 0.002 1 941 205 205 LEU C C 178.362 0.2 1 942 205 205 LEU CA C 57.864 0.026 1 943 205 205 LEU CB C 41.378 0.026 1 944 205 205 LEU N N 122.087 0.034 1 945 206 206 LEU H H 7.002 0.001 1 946 206 206 LEU C C 179.397 0.2 1 947 206 206 LEU CA C 56.888 0.003 1 948 206 206 LEU CB C 40.745 0.2 1 949 206 206 LEU N N 116.456 0.038 1 950 207 207 ARG H H 7.468 0.002 1 951 207 207 ARG C C 178.876 0.2 1 952 207 207 ARG CA C 56.877 0.002 1 953 207 207 ARG CB C 28.436 0.027 1 954 207 207 ARG N N 119.538 0.055 1 955 208 208 VAL H H 8.125 0.002 1 956 208 208 VAL C C 176.666 0.2 1 957 208 208 VAL CA C 63.393 0.007 1 958 208 208 VAL CB C 30.923 0.041 1 959 208 208 VAL N N 113.678 0.029 1 960 209 209 HIS H H 7.720 0.002 1 961 209 209 HIS C C 175.218 0.2 1 962 209 209 HIS CA C 56.880 0.001 1 963 209 209 HIS CB C 29.227 0.010 1 964 209 209 HIS N N 118.817 0.040 1 965 210 210 THR H H 7.709 0.002 1 966 210 210 THR C C 173.758 0.2 1 967 210 210 THR CA C 61.885 0.005 1 968 210 210 THR CB C 69.391 0.004 1 969 210 210 THR N N 113.143 0.036 1 970 211 211 VAL H H 7.419 0.002 1 971 211 211 VAL CA C 63.650 0.2 1 972 211 211 VAL CB C 31.908 0.2 1 973 211 211 VAL N N 126.438 0.039 1 stop_ save_