data_27279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit C domain mutant c1 ; _BMRB_accession_number 27279 _BMRB_flat_file_name bmr27279.str _Entry_type original _Submission_date 2017-10-11 _Accession_date 2017-10-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Arthanari Haribabu . . 3 Reinherz Ellis L. . 4 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 213 "13C chemical shifts" 610 "15N chemical shifts" 213 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-14 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26601 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit' 27278 'T cell receptor N15 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' 27280 'T cell receptor N15 beta subunit C domain mutant m22 (Y50A/E51A/F128R/V144Q/L146Q)' 27281 'T cell receptor N15 beta subunit C domain mutant m23 (Q48A/Y50A/E51A/F128R/V144Q/L146Q)' stop_ _Original_release_date 2015-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Pre-TCR ligand binding impacts thymocyte development before TCR expression. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26056289 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Bai Ke . . 3 Arthanari Haribabu . . 4 Hussey Rebecca E. . 5 Li Zhenhai . . 6 Chingozha Loice . . 7 Duke-Cohan Jonathan S. . 8 Lu Hang . . 9 Wang Jia-Huai . . 10 Zhu Cheng . . 11 Wagner Gerhard . . 12 Reinherz Ellis L. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 112 _Journal_issue 27 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8373 _Page_last 8378 _Year 2015 _Details . loop_ _Keyword 'NMR spectroscopy' 'biomembrane force probe' 'pre T-cell receptor' 'repertoire selection' 'thymic development' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title ; Backbone Resonance Assignment of N15, N30 and D10 T cell Receptor beta subunits ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26275917 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Reinherz Ellis L. . 3 Wagner Gerhard . . 4 Arthanari Haribabu . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full . _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 35 _Page_last 39 _Year 2016 _Details . loop_ _Keyword MHC 'NMR spectroscopy' 'T-cell Receptor (TCR)' 'biomembrane force probe' immunology 'pre T-cell receptor' 'protein refolding' 'repertoire selection' 'thymic development' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N30alphabetaTCR, pTalpha/N30beta' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N30 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' $N30b-c1 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_N30b-c1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N30b-c1 _Molecular_mass 27003.96 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 241 _Mol_residue_sequence ; MEAGVTQSPRYAVLQEGQSV SFWCDPISGHDTLYWYQQPR DQGPQLLVYFRDEAVIDNSQ LPSDRFSAVRPKGTNSTLKI QSAKQGDTATYLCASSSGVG TEVFFGKGTRLTVVEDLRNV TPPKVSLREPSKAEIANKQK ATLQCQARGFFPDHVELSWW VNGKEVHSGVSTDPQAYKES NYSYSLSSRLRVSATFWHNP RNHFRCQVQFHGLSEEDKWP EGSPKPVTQNISAEAWGRAD S ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ALA 4 GLY 5 VAL 6 THR 7 GLN 8 SER 9 PRO 10 ARG 11 TYR 12 ALA 13 VAL 14 LEU 15 GLN 16 GLU 17 GLY 18 GLN 19 SER 20 VAL 21 SER 22 PHE 23 TRP 24 CYS 25 ASP 26 PRO 27 ILE 28 SER 29 GLY 30 HIS 31 ASP 32 THR 33 LEU 34 TYR 35 TRP 36 TYR 37 GLN 38 GLN 39 PRO 40 ARG 41 ASP 42 GLN 43 GLY 44 PRO 45 GLN 46 LEU 47 LEU 48 VAL 49 TYR 50 PHE 51 ARG 52 ASP 53 GLU 54 ALA 55 VAL 56 ILE 57 ASP 58 ASN 59 SER 60 GLN 61 LEU 62 PRO 63 SER 64 ASP 65 ARG 66 PHE 67 SER 68 ALA 69 VAL 70 ARG 71 PRO 72 LYS 73 GLY 74 THR 75 ASN 76 SER 77 THR 78 LEU 79 LYS 80 ILE 81 GLN 82 SER 83 ALA 84 LYS 85 GLN 86 GLY 87 ASP 88 THR 89 ALA 90 THR 91 TYR 92 LEU 93 CYS 94 ALA 95 SER 96 SER 97 SER 98 GLY 99 VAL 100 GLY 101 THR 102 GLU 103 VAL 104 PHE 105 PHE 106 GLY 107 LYS 108 GLY 109 THR 110 ARG 111 LEU 112 THR 113 VAL 114 VAL 115 GLU 116 ASP 117 LEU 118 ARG 119 ASN 120 VAL 121 THR 122 PRO 123 PRO 124 LYS 125 VAL 126 SER 127 LEU 128 ARG 129 GLU 130 PRO 131 SER 132 LYS 133 ALA 134 GLU 135 ILE 136 ALA 137 ASN 138 LYS 139 GLN 140 LYS 141 ALA 142 THR 143 LEU 144 GLN 145 CYS 146 GLN 147 ALA 148 ARG 149 GLY 150 PHE 151 PHE 152 PRO 153 ASP 154 HIS 155 VAL 156 GLU 157 LEU 158 SER 159 TRP 160 TRP 161 VAL 162 ASN 163 GLY 164 LYS 165 GLU 166 VAL 167 HIS 168 SER 169 GLY 170 VAL 171 SER 172 THR 173 ASP 174 PRO 175 GLN 176 ALA 177 TYR 178 LYS 179 GLU 180 SER 181 ASN 182 TYR 183 SER 184 TYR 185 SER 186 LEU 187 SER 188 SER 189 ARG 190 LEU 191 ARG 192 VAL 193 SER 194 ALA 195 THR 196 PHE 197 TRP 198 HIS 199 ASN 200 PRO 201 ARG 202 ASN 203 HIS 204 PHE 205 ARG 206 CYS 207 GLN 208 VAL 209 GLN 210 PHE 211 HIS 212 GLY 213 LEU 214 SER 215 GLU 216 GLU 217 ASP 218 LYS 219 TRP 220 PRO 221 GLU 222 GLY 223 SER 224 PRO 225 LYS 226 PRO 227 VAL 228 THR 229 GLN 230 ASN 231 ILE 232 SER 233 ALA 234 GLU 235 ALA 236 TRP 237 GLY 238 ARG 239 ALA 240 ASP 241 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $N30b-c1 'house mouse' 10090 Eukaryota Metazoa Mus musculus B6 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 $N30b-c1 'recombinant technology' . Escherichia coli BL21-DE3 pet11d 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 $N30b-c1 0.4 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.90 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 7 . 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 4.7 internal indirect . . . . water H 1 protons ppm 4.7 internal indirect . . . 1 water N 15 protons ppm 4.7 internal indirect . . . . 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 $CARA stop_ loop_ _Experiment_label '2D 1H-15N 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 'N30 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' _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 ALA H H 8.295 0.020 1 2 3 3 ALA C C 177.314 0.3 1 3 3 3 ALA CA C 51.688 0.3 1 4 3 3 ALA CB C 18.674 0.3 1 5 3 3 ALA N N 125.902 0.3 1 6 4 4 GLY H H 7.937 0.020 1 7 4 4 GLY C C 172.491 0.3 1 8 4 4 GLY CA C 43.971 0.3 1 9 4 4 GLY N N 107.993 0.3 1 10 5 5 VAL H H 8.330 0.020 1 11 5 5 VAL C C 176.967 0.3 1 12 5 5 VAL CA C 62.298 0.3 1 13 5 5 VAL CB C 31.464 0.3 1 14 5 5 VAL N N 123.755 0.3 1 15 6 6 THR H H 8.681 0.020 1 16 6 6 THR C C 172.536 0.3 1 17 6 6 THR CA C 61.663 0.3 1 18 6 6 THR CB C 69.625 0.3 1 19 6 6 THR N N 126.067 0.3 1 20 11 11 TYR H H 7.735 0.020 1 21 11 11 TYR C C 174.631 0.3 1 22 11 11 TYR CA C 55.678 0.3 1 23 11 11 TYR CB C 42.456 0.3 1 24 11 11 TYR N N 116.692 0.3 1 25 12 12 ALA H H 8.840 0.020 1 26 12 12 ALA C C 174.556 0.3 1 27 12 12 ALA CA C 51.605 0.3 1 28 12 12 ALA CB C 20.886 0.3 1 29 12 12 ALA N N 122.440 0.3 1 30 13 13 VAL H H 8.585 0.020 1 31 13 13 VAL C C 172.401 0.3 1 32 13 13 VAL CA C 58.425 0.3 1 33 13 13 VAL CB C 33.123 0.3 1 34 13 13 VAL N N 123.469 0.3 1 35 14 14 LEU H H 8.189 0.020 1 36 14 14 LEU C C 175.068 0.3 1 37 14 14 LEU CA C 52.279 0.3 1 38 14 14 LEU CB C 46.327 0.3 1 39 14 14 LEU N N 126.683 0.3 1 40 15 15 GLN H H 8.627 0.020 1 41 15 15 GLN C C 175.295 0.3 1 42 15 15 GLN CA C 53.914 0.3 1 43 15 15 GLN CB C 29.666 0.3 1 44 15 15 GLN N N 122.576 0.3 1 45 16 16 GLU H H 7.875 0.020 1 46 16 16 GLU C C 176.952 0.3 1 47 16 16 GLU CA C 57.451 0.3 1 48 16 16 GLU CB C 29.085 0.3 1 49 16 16 GLU N N 123.001 0.3 1 50 17 17 GLY H H 9.674 0.020 1 51 17 17 GLY C C 175.159 0.3 1 52 17 17 GLY CA C 44.327 0.3 1 53 17 17 GLY N N 113.660 0.3 1 54 18 18 GLN H H 7.710 0.020 1 55 18 18 GLN C C 173.712 0.3 1 56 18 18 GLN CA C 55.254 0.3 1 57 18 18 GLN CB C 29.459 0.3 1 58 18 18 GLN N N 120.832 0.3 1 59 19 19 SER H H 8.113 0.020 1 60 19 19 SER C C 172.732 0.3 1 61 19 19 SER CA C 56.047 0.3 1 62 19 19 SER CB C 65.062 0.3 1 63 19 19 SER N N 113.708 0.3 1 64 20 20 VAL H H 8.405 0.020 1 65 20 20 VAL C C 170.652 0.3 1 66 20 20 VAL CA C 59.743 0.3 1 67 20 20 VAL CB C 33.261 0.3 1 68 20 20 VAL N N 121.152 0.3 1 69 21 21 SER H H 7.415 0.020 1 70 21 21 SER C C 171.813 0.3 1 71 21 21 SER CA C 56.133 0.3 1 72 21 21 SER CB C 64.647 0.3 1 73 21 21 SER N N 119.503 0.3 1 74 22 22 PHE H H 9.144 0.020 1 75 22 22 PHE C C 174.209 0.3 1 76 22 22 PHE CA C 52.905 0.3 1 77 22 22 PHE CB C 39.760 0.3 1 78 22 22 PHE N N 124.262 0.3 1 79 23 23 TRP H H 9.235 0.020 1 80 23 23 TRP C C 175.822 0.3 1 81 23 23 TRP CA C 56.964 0.3 1 82 23 23 TRP CB C 31.602 0.3 1 83 23 23 TRP N N 122.760 0.3 1 84 24 24 CYS H H 8.861 0.020 1 85 24 24 CYS C C 170.954 0.3 1 86 24 24 CYS CA C 52.670 0.3 1 87 24 24 CYS CB C 43.769 0.3 1 88 24 24 CYS N N 125.325 0.3 1 89 25 25 ASP H H 8.837 0.020 1 90 25 25 ASP C C 173.501 0.3 1 91 25 25 ASP CA C 49.265 0.3 1 92 25 25 ASP CB C 42.524 0.3 1 93 25 25 ASP N N 128.593 0.3 1 94 27 27 ILE H H 6.506 0.020 1 95 27 27 ILE C C 176.259 0.3 1 96 27 27 ILE CA C 62.064 0.3 1 97 27 27 ILE CB C 35.335 0.3 1 98 27 27 ILE N N 121.402 0.3 1 99 28 28 SER H H 7.944 0.020 1 100 28 28 SER C C 175.626 0.3 1 101 28 28 SER CA C 59.084 0.3 1 102 28 28 SER CB C 61.882 0.3 1 103 28 28 SER N N 121.574 0.3 1 104 29 29 GLY H H 8.741 0.020 1 105 29 29 GLY C C 175.325 0.3 1 106 29 29 GLY CA C 44.525 0.3 1 107 29 29 GLY N N 114.524 0.3 1 108 30 30 HIS H H 7.958 0.020 1 109 30 30 HIS C C 176.018 0.3 1 110 30 30 HIS CA C 56.060 0.3 1 111 30 30 HIS CB C 30.772 0.3 1 112 30 30 HIS N N 121.818 0.3 1 113 31 31 ASP H H 8.703 0.020 1 114 31 31 ASP C C 177.857 0.3 1 115 31 31 ASP CA C 54.197 0.3 1 116 31 31 ASP CB C 39.760 0.3 1 117 31 31 ASP N N 125.486 0.3 1 118 32 32 THR H H 8.758 0.020 1 119 32 32 THR C C 171.677 0.3 1 120 32 32 THR CA C 62.093 0.3 1 121 32 32 THR CB C 68.865 0.3 1 122 32 32 THR N N 126.212 0.3 1 123 33 33 LEU H H 7.852 0.020 1 124 33 33 LEU C C 173.757 0.3 1 125 33 33 LEU CA C 53.554 0.3 1 126 33 33 LEU CB C 44.599 0.3 1 127 33 33 LEU N N 127.548 0.3 1 128 34 34 TYR H H 9.379 0.020 1 129 34 34 TYR C C 174.752 0.3 1 130 34 34 TYR CA C 54.815 0.3 1 131 34 34 TYR CB C 41.903 0.3 1 132 34 34 TYR N N 124.904 0.3 1 133 35 35 TRP H H 8.576 0.020 1 134 35 35 TRP C C 175.536 0.3 1 135 35 35 TRP CA C 55.875 0.3 1 136 35 35 TRP CB C 32.293 0.3 1 137 35 35 TRP N N 117.945 0.3 1 138 36 36 TYR H H 9.993 0.020 1 139 36 36 TYR C C 174.827 0.3 1 140 36 36 TYR CA C 56.091 0.3 1 141 36 36 TYR CB C 42.594 0.3 1 142 36 36 TYR N N 119.921 0.3 1 143 37 37 GLN H H 9.430 0.020 1 144 37 37 GLN C C 173.968 0.3 1 145 37 37 GLN CA C 53.697 0.3 1 146 37 37 GLN CB C 32.501 0.3 1 147 37 37 GLN N N 122.100 0.3 1 148 38 38 GLN H H 9.433 0.020 1 149 38 38 GLN C C 172.612 0.3 1 150 38 38 GLN CA C 52.064 0.3 1 151 38 38 GLN CB C 29.528 0.3 1 152 38 38 GLN N N 129.336 0.3 1 153 40 40 ARG H H 8.451 0.020 1 154 40 40 ARG C C 176.576 0.3 1 155 40 40 ARG CA C 57.131 0.3 1 156 40 40 ARG CB C 29.044 0.3 1 157 40 40 ARG N N 121.300 0.3 1 158 41 41 ASP H H 8.729 0.020 1 159 41 41 ASP C C 174.571 0.3 1 160 41 41 ASP CA C 55.442 0.3 1 161 41 41 ASP CB C 38.999 0.3 1 162 41 41 ASP N N 119.069 0.3 1 163 42 42 GLN H H 7.620 0.020 1 164 42 42 GLN C C 175.264 0.3 1 165 42 42 GLN CA C 53.531 0.3 1 166 42 42 GLN CB C 31.879 0.3 1 167 42 42 GLN N N 117.547 0.3 1 168 43 43 GLY H H 8.220 0.020 1 169 43 43 GLY C C 171.542 0.3 1 170 43 43 GLY CA C 43.677 0.3 1 171 43 43 GLY N N 106.584 0.3 1 172 45 45 GLN H H 9.021 0.020 1 173 45 45 GLN C C 175.144 0.3 1 174 45 45 GLN CA C 53.257 0.3 1 175 45 45 GLN CB C 29.805 0.3 1 176 45 45 GLN N N 123.933 0.3 1 177 46 46 LEU H H 8.864 0.020 1 178 46 46 LEU C C 175.611 0.3 1 179 46 46 LEU CA C 55.904 0.3 1 180 46 46 LEU CB C 40.728 0.3 1 181 46 46 LEU N N 129.975 0.3 1 182 47 47 LEU H H 9.091 0.020 1 183 47 47 LEU C C 175.626 0.3 1 184 47 47 LEU CA C 55.216 0.3 1 185 47 47 LEU CB C 43.216 0.3 1 186 47 47 LEU N N 125.333 0.3 1 187 49 49 TYR H H 7.588 0.020 1 188 49 49 TYR C C 172.205 0.3 1 189 49 49 TYR CA C 55.015 0.3 1 190 49 49 TYR CB C 41.142 0.3 1 191 49 49 TYR N N 121.674 0.3 1 192 50 50 PHE H H 9.258 0.020 1 193 50 50 PHE C C 175.279 0.3 1 194 50 50 PHE CA C 56.075 0.3 1 195 50 50 PHE CB C 44.253 0.3 1 196 50 50 PHE N N 119.920 0.3 1 197 51 51 ARG H H 8.357 0.020 1 198 51 51 ARG C C 176.545 0.3 1 199 51 51 ARG CA C 55.019 0.3 1 200 51 51 ARG CB C 30.219 0.3 1 201 51 51 ARG N N 120.087 0.3 1 202 52 52 ASP H H 9.506 0.020 1 203 52 52 ASP C C 175.430 0.3 1 204 52 52 ASP CA C 56.534 0.3 1 205 52 52 ASP CB C 39.276 0.3 1 206 52 52 ASP N N 126.531 0.3 1 207 53 53 GLU H H 9.646 0.020 1 208 53 53 GLU C C 175.279 0.3 1 209 53 53 GLU CA C 56.276 0.3 1 210 53 53 GLU CB C 28.560 0.3 1 211 53 53 GLU N N 126.116 0.3 1 212 54 54 ALA H H 7.928 0.020 1 213 54 54 ALA C C 176.651 0.3 1 214 54 54 ALA CA C 50.948 0.3 1 215 54 54 ALA CB C 19.573 0.3 1 216 54 54 ALA N N 125.051 0.3 1 217 55 55 VAL H H 8.355 0.020 1 218 55 55 VAL C C 176.334 0.3 1 219 55 55 VAL CA C 61.864 0.3 1 220 55 55 VAL CB C 31.187 0.3 1 221 55 55 VAL N N 123.245 0.3 1 222 56 56 ILE H H 8.319 0.020 1 223 56 56 ILE C C 175.792 0.3 1 224 56 56 ILE CA C 59.514 0.3 1 225 56 56 ILE CB C 34.644 0.3 1 226 56 56 ILE N N 129.678 0.3 1 227 57 57 ASP H H 6.337 0.020 1 228 57 57 ASP C C 174.933 0.3 1 229 57 57 ASP CA C 53.067 0.3 1 230 57 57 ASP CB C 42.732 0.3 1 231 57 57 ASP N N 117.218 0.3 1 232 58 58 ASN H H 8.486 0.020 1 233 58 58 ASN CA C 51.603 0.3 1 234 58 58 ASN CB C 37.850 0.3 1 235 58 58 ASN N N 124.239 0.3 1 236 59 59 SER H H 8.650 0.020 1 237 59 59 SER C C 175.686 0.3 1 238 59 59 SER CA C 60.889 0.3 1 239 59 59 SER CB C 62.297 0.3 1 240 59 59 SER N N 118.781 0.3 1 241 60 60 GLN H H 8.551 0.020 1 242 60 60 GLN C C 175.430 0.3 1 243 60 60 GLN CA C 54.127 0.3 1 244 60 60 GLN CB C 27.454 0.3 1 245 60 60 GLN N N 119.910 0.3 1 246 61 61 LEU H H 7.326 0.020 1 247 61 61 LEU C C 176.259 0.3 1 248 61 61 LEU CA C 52.465 0.3 1 249 61 61 LEU CB C 41.004 0.3 1 250 61 61 LEU N N 123.364 0.3 1 251 63 63 SER H H 7.625 0.020 1 252 63 63 SER C C 174.390 0.3 1 253 63 63 SER CA C 58.024 0.3 1 254 63 63 SER CB C 63.190 0.3 1 255 63 63 SER N N 115.660 0.3 1 256 64 64 ASP H H 8.688 0.020 1 257 64 64 ASP CA C 54.915 0.3 1 258 64 64 ASP N N 121.309 0.3 1 259 65 65 ARG H H 7.759 0.020 1 260 65 65 ARG C C 175.415 0.3 1 261 65 65 ARG CA C 56.935 0.3 1 262 65 65 ARG CB C 30.012 0.3 1 263 65 65 ARG N N 117.041 0.3 1 264 66 66 PHE H H 7.973 0.020 1 265 66 66 PHE C C 174.873 0.3 1 266 66 66 PHE CA C 55.332 0.3 1 267 66 66 PHE CB C 41.004 0.3 1 268 66 66 PHE N N 119.795 0.3 1 269 67 67 SER H H 8.740 0.020 1 270 67 67 SER C C 171.858 0.3 1 271 67 67 SER CA C 56.569 0.3 1 272 67 67 SER CB C 64.717 0.3 1 273 67 67 SER N N 113.214 0.3 1 274 68 68 ALA H H 8.669 0.020 1 275 68 68 ALA C C 175.355 0.3 1 276 68 68 ALA CA C 50.316 0.3 1 277 68 68 ALA CB C 22.615 0.3 1 278 68 68 ALA N N 124.513 0.3 1 279 69 69 VAL H H 8.432 0.020 1 280 69 69 VAL C C 175.445 0.3 1 281 69 69 VAL CA C 58.884 0.3 1 282 69 69 VAL CB C 35.957 0.3 1 283 69 69 VAL N N 113.686 0.3 1 284 70 70 ARG H H 9.335 0.020 1 285 70 70 ARG C C 173.983 0.3 1 286 70 70 ARG CA C 53.414 0.3 1 287 70 70 ARG CB C 28.698 0.3 1 288 70 70 ARG N N 128.434 0.3 1 289 72 72 LYS H H 8.723 0.020 1 290 72 72 LYS C C 176.734 0.3 1 291 72 72 LYS CA C 53.492 0.3 1 292 72 72 LYS CB C 31.256 0.3 1 293 72 72 LYS N N 115.852 0.3 1 294 73 73 GLY H H 7.736 0.020 1 295 73 73 GLY C C 173.118 0.3 1 296 73 73 GLY CA C 45.075 0.3 1 297 73 73 GLY N N 105.856 0.3 1 298 74 74 THR H H 7.852 0.020 1 299 74 74 THR C C 174.556 0.3 1 300 74 74 THR CA C 58.241 0.3 1 301 74 74 THR CB C 68.104 0.3 1 302 74 74 THR N N 110.280 0.3 1 303 75 75 ASN H H 8.959 0.020 1 304 75 75 ASN C C 173.682 0.3 1 305 75 75 ASN CA C 52.878 0.3 1 306 75 75 ASN CB C 38.723 0.3 1 307 75 75 ASN N N 123.088 0.3 1 308 76 76 SER H H 8.708 0.020 1 309 76 76 SER C C 172.763 0.3 1 310 76 76 SER CA C 54.598 0.3 1 311 76 76 SER CB C 67.205 0.3 1 312 76 76 SER N N 111.614 0.3 1 313 77 77 THR H H 7.804 0.020 1 314 77 77 THR C C 172.762 0.3 1 315 77 77 THR CA C 60.030 0.3 1 316 77 77 THR CB C 70.662 0.3 1 317 77 77 THR N N 122.448 0.3 1 318 78 78 LEU H H 8.564 0.020 1 319 78 78 LEU C C 172.808 0.3 1 320 78 78 LEU CA C 52.670 0.3 1 321 78 78 LEU CB C 41.142 0.3 1 322 78 78 LEU N N 130.959 0.3 1 323 79 79 LYS H H 9.014 0.020 1 324 79 79 LYS C C 174.496 0.3 1 325 79 79 LYS CA C 53.754 0.3 1 326 79 79 LYS CB C 34.436 0.3 1 327 79 79 LYS N N 127.716 0.3 1 328 80 80 ILE H H 8.113 0.020 1 329 80 80 ILE C C 175.264 0.3 1 330 80 80 ILE CA C 59.743 0.3 1 331 80 80 ILE CB C 38.792 0.3 1 332 80 80 ILE N N 124.288 0.3 1 333 81 81 GLN H H 8.445 0.020 1 334 81 81 GLN C C 174.677 0.3 1 335 81 81 GLN CA C 53.525 0.3 1 336 81 81 GLN CB C 30.012 0.3 1 337 81 81 GLN N N 125.406 0.3 1 338 82 82 SER H H 7.739 0.020 1 339 82 82 SER C C 173.938 0.3 1 340 82 82 SER CA C 56.563 0.3 1 341 82 82 SER CB C 60.983 0.3 1 342 82 82 SER N N 115.070 0.3 1 343 83 83 ALA H H 8.467 0.020 1 344 83 83 ALA C C 177.028 0.3 1 345 83 83 ALA CA C 52.465 0.3 1 346 83 83 ALA CB C 18.882 0.3 1 347 83 83 ALA N N 121.706 0.3 1 348 84 84 LYS H H 8.998 0.020 1 349 84 84 LYS C C 177.992 0.3 1 350 84 84 LYS CA C 53.095 0.3 1 351 84 84 LYS CB C 35.266 0.3 1 352 84 84 LYS N N 121.485 0.3 1 353 85 85 GLN H H 9.616 0.020 1 354 85 85 GLN C C 179.062 0.3 1 355 85 85 GLN CA C 59.743 0.3 1 356 85 85 GLN CB C 28.353 0.3 1 357 85 85 GLN N N 123.203 0.3 1 358 87 87 ASP H H 8.325 0.020 1 359 87 87 ASP C C 177.224 0.3 1 360 87 87 ASP CA C 54.156 0.3 1 361 87 87 ASP CB C 40.036 0.3 1 362 87 87 ASP N N 120.274 0.3 1 363 88 88 THR H H 7.801 0.020 1 364 88 88 THR C C 174.104 0.3 1 365 88 88 THR CA C 64.586 0.3 1 366 88 88 THR CB C 69.999 0.3 1 367 88 88 THR N N 120.361 0.3 1 368 89 89 ALA H H 8.943 0.020 1 369 89 89 ALA C C 175.114 0.3 1 370 89 89 ALA CA C 51.864 0.3 1 371 89 89 ALA CB C 18.674 0.3 1 372 89 89 ALA N N 130.751 0.3 1 373 90 90 THR H H 7.525 0.020 1 374 90 90 THR C C 173.215 0.3 1 375 90 90 THR CA C 61.892 0.3 1 376 90 90 THR CB C 68.173 0.3 1 377 90 90 THR N N 115.207 0.3 1 378 91 91 TYR H H 9.449 0.020 1 379 91 91 TYR C C 176.018 0.3 1 380 91 91 TYR CA C 57.290 0.3 1 381 91 91 TYR CB C 38.170 0.3 1 382 91 91 TYR N N 127.728 0.3 1 383 92 92 LEU H H 9.294 0.020 1 384 92 92 LEU C C 173.290 0.3 1 385 92 92 LEU CA C 53.649 0.3 1 386 92 92 LEU CB C 44.876 0.3 1 387 92 92 LEU N N 127.920 0.3 1 388 93 93 CYS H H 7.938 0.020 1 389 93 93 CYS C C 171.120 0.3 1 390 93 93 CYS CA C 50.976 0.3 1 391 93 93 CYS CB C 43.424 0.3 1 392 93 93 CYS N N 121.999 0.3 1 393 94 94 ALA H H 8.908 0.020 1 394 94 94 ALA C C 175.084 0.3 1 395 94 94 ALA CA C 49.265 0.3 1 396 94 94 ALA CB C 22.822 0.3 1 397 94 94 ALA N N 129.938 0.3 1 398 95 95 SER H H 9.289 0.020 1 399 95 95 SER C C 172.205 0.3 1 400 95 95 SER CA C 57.394 0.3 1 401 95 95 SER CB C 67.413 0.3 1 402 95 95 SER N N 116.091 0.3 1 403 96 96 SER H H 9.013 0.020 1 404 96 96 SER C C 171.512 0.3 1 405 96 96 SER CA C 57.164 0.3 1 406 96 96 SER CB C 66.583 0.3 1 407 96 96 SER N N 114.258 0.3 1 408 97 97 SER H H 8.290 0.020 1 409 97 97 SER C C 175.807 0.3 1 410 97 97 SER CA C 55.273 0.3 1 411 97 97 SER CB C 61.398 0.3 1 412 97 97 SER N N 114.341 0.3 1 413 98 98 GLY H H 9.157 0.020 1 414 98 98 GLY C C 173.456 0.3 1 415 98 98 GLY CA C 43.639 0.3 1 416 98 98 GLY N N 117.892 0.3 1 417 99 99 VAL H H 8.196 0.020 1 418 99 99 VAL C C 177.374 0.3 1 419 99 99 VAL CA C 61.663 0.3 1 420 99 99 VAL CB C 31.395 0.3 1 421 99 99 VAL N N 120.261 0.3 1 422 100 100 GLY H H 8.560 0.020 1 423 100 100 GLY C C 174.330 0.3 1 424 100 100 GLY CA C 45.172 0.3 1 425 100 100 GLY N N 113.661 0.3 1 426 101 101 THR H H 7.170 0.020 1 427 101 101 THR C C 173.561 0.3 1 428 101 101 THR CA C 59.411 0.3 1 429 101 101 THR CB C 68.657 0.3 1 430 101 101 THR N N 110.563 0.3 1 431 102 102 GLU H H 8.071 0.020 1 432 102 102 GLU C C 174.435 0.3 1 433 102 102 GLU CA C 56.906 0.3 1 434 102 102 GLU CB C 28.870 0.3 1 435 102 102 GLU N N 121.269 0.3 1 436 103 103 VAL H H 7.810 0.020 1 437 103 103 VAL C C 175.159 0.3 1 438 103 103 VAL CA C 60.790 0.3 1 439 103 103 VAL CB C 31.602 0.3 1 440 103 103 VAL N N 125.102 0.3 1 441 104 104 PHE H H 8.995 0.020 1 442 104 104 PHE C C 174.511 0.3 1 443 104 104 PHE CA C 56.333 0.3 1 444 104 104 PHE CB C 39.621 0.3 1 445 104 104 PHE N N 128.244 0.3 1 446 105 105 PHE H H 8.897 0.020 1 447 105 105 PHE C C 178.821 0.3 1 448 105 105 PHE CA C 57.808 0.3 1 449 105 105 PHE CB C 41.281 0.3 1 450 105 105 PHE N N 120.308 0.3 1 451 106 106 GLY H H 9.124 0.020 1 452 106 106 GLY C C 172.687 0.3 1 453 106 106 GLY CA C 43.446 0.3 1 454 106 106 GLY N N 109.263 0.3 1 455 107 107 LYS H H 8.850 0.020 1 456 107 107 LYS C C 177.932 0.3 1 457 107 107 LYS CA C 55.956 0.3 1 458 107 107 LYS CB C 31.612 0.3 1 459 107 107 LYS N N 115.329 0.3 1 460 108 108 GLY H H 7.099 0.020 1 461 108 108 GLY C C 172.114 0.3 1 462 108 108 GLY CA C 44.325 0.3 1 463 108 108 GLY N N 105.021 0.3 1 464 109 109 THR H H 8.200 0.020 1 465 109 109 THR C C 174.240 0.3 1 466 109 109 THR CA C 60.832 0.3 1 467 109 109 THR CB C 71.233 0.3 1 468 109 109 THR N N 118.228 0.3 1 469 110 110 ARG H H 7.971 0.020 1 470 110 110 ARG C C 172.054 0.3 1 471 110 110 ARG CA C 55.445 0.3 1 472 110 110 ARG CB C 28.560 0.3 1 473 110 110 ARG N N 129.177 0.3 1 474 111 111 LEU H H 8.570 0.020 1 475 111 111 LEU C C 177.194 0.3 1 476 111 111 LEU CA C 52.465 0.3 1 477 111 111 LEU CB C 43.908 0.3 1 478 111 111 LEU N N 127.664 0.3 1 479 112 112 THR H H 8.772 0.020 1 480 112 112 THR C C 171.934 0.3 1 481 112 112 THR CA C 62.551 0.3 1 482 112 112 THR CB C 68.865 0.3 1 483 112 112 THR N N 123.990 0.3 1 484 113 113 VAL H H 8.260 0.020 1 485 113 113 VAL C C 175.279 0.3 1 486 113 113 VAL CA C 59.342 0.3 1 487 113 113 VAL CB C 31.326 0.3 1 488 113 113 VAL N N 128.796 0.3 1 489 114 114 VAL H H 8.916 0.020 1 490 114 114 VAL C C 175.279 0.3 1 491 114 114 VAL CA C 57.607 0.3 1 492 114 114 VAL CB C 33.192 0.3 1 493 114 114 VAL N N 119.627 0.3 1 494 115 115 GLU H H 8.954 0.020 1 495 115 115 GLU C C 176.591 0.3 1 496 115 115 GLU CA C 58.263 0.3 1 497 115 115 GLU CB C 29.182 0.3 1 498 115 115 GLU N N 122.955 0.3 1 499 116 116 ASP H H 7.777 0.020 1 500 116 116 ASP C C 176.425 0.3 1 501 116 116 ASP CA C 52.300 0.3 1 502 116 116 ASP CB C 42.525 0.3 1 503 116 116 ASP N N 116.757 0.3 1 504 117 117 LEU H H 8.801 0.020 1 505 117 117 LEU C C 177.721 0.3 1 506 117 117 LEU CA C 56.534 0.3 1 507 117 117 LEU CB C 41.142 0.3 1 508 117 117 LEU N N 127.619 0.3 1 509 118 118 ARG H H 8.582 0.020 1 510 118 118 ARG C C 177.058 0.3 1 511 118 118 ARG CA C 57.365 0.3 1 512 118 118 ARG CB C 28.215 0.3 1 513 118 118 ARG N N 116.002 0.3 1 514 119 119 ASN H H 7.576 0.020 1 515 119 119 ASN C C 175.837 0.3 1 516 119 119 ASN CA C 53.926 0.3 1 517 119 119 ASN CB C 38.878 0.3 1 518 119 119 ASN N N 113.648 0.3 1 519 120 120 VAL H H 8.083 0.020 1 520 120 120 VAL C C 174.993 0.3 1 521 120 120 VAL CA C 63.822 0.3 1 522 120 120 VAL CB C 29.898 0.3 1 523 120 120 VAL N N 124.091 0.3 1 524 121 121 THR H H 9.388 0.020 1 525 121 121 THR C C 174.918 0.3 1 526 121 121 THR CA C 58.454 0.3 1 527 121 121 THR CB C 72.467 0.3 1 528 121 121 THR N N 123.707 0.3 1 529 124 124 LYS H H 8.558 0.020 1 530 124 124 LYS C C 176.696 0.3 1 531 124 124 LYS CA C 55.159 0.3 1 532 124 124 LYS CB C 31.681 0.3 1 533 124 124 LYS N N 119.180 0.3 1 534 125 125 VAL H H 8.741 0.020 1 535 125 125 VAL C C 174.511 0.3 1 536 125 125 VAL CA C 60.603 0.3 1 537 125 125 VAL CB C 33.326 0.3 1 538 125 125 VAL N N 126.301 0.3 1 539 126 126 SER H H 8.814 0.020 1 540 126 126 SER C C 169.959 0.3 1 541 126 126 SER CA C 56.105 0.3 1 542 126 126 SER CB C 65.612 0.3 1 543 126 126 SER N N 121.139 0.3 1 544 127 127 LEU H H 8.685 0.020 1 545 127 127 LEU C C 175.355 0.3 1 546 127 127 LEU CA C 52.895 0.3 1 547 127 127 LEU CB C 44.294 0.3 1 548 127 127 LEU N N 124.073 0.3 1 549 128 128 ARG H H 9.151 0.020 1 550 128 128 ARG C C 174.888 0.3 1 551 128 128 ARG CA C 54.161 0.3 1 552 128 128 ARG CB C 39.084 0.3 1 553 128 128 ARG N N 126.531 0.3 1 554 129 129 GLU H H 8.639 0.020 1 555 129 129 GLU C C 173.456 0.3 1 556 129 129 GLU CA C 54.233 0.3 1 557 129 129 GLU CB C 27.705 0.3 1 558 129 129 GLU N N 125.693 0.3 1 559 131 131 SER H H 8.571 0.020 1 560 131 131 SER C C 175.400 0.3 1 561 131 131 SER CA C 56.305 0.3 1 562 131 131 SER CB C 63.749 0.3 1 563 131 131 SER N N 118.866 0.3 1 564 132 132 LYS H H 8.770 0.020 1 565 132 132 LYS C C 178.931 0.3 1 566 132 132 LYS CA C 58.867 0.3 1 567 132 132 LYS CB C 30.995 0.3 1 568 132 132 LYS N N 124.993 0.3 1 569 133 133 ALA H H 8.232 0.020 1 570 133 133 ALA C C 179.560 0.3 1 571 133 133 ALA CA C 53.946 0.3 1 572 133 133 ALA CB C 17.354 0.3 1 573 133 133 ALA N N 121.182 0.3 1 574 134 134 GLU H H 7.484 0.020 1 575 134 134 GLU C C 179.243 0.3 1 576 134 134 GLU CA C 58.024 0.3 1 577 134 134 GLU CB C 28.802 0.3 1 578 134 134 GLU N N 119.439 0.3 1 579 135 135 ILE H H 7.631 0.020 1 580 135 135 ILE C C 178.731 0.3 1 581 135 135 ILE CA C 62.959 0.3 1 582 135 135 ILE CB C 28.733 0.3 1 583 135 135 ILE N N 119.729 0.3 1 584 136 136 ALA H H 7.892 0.020 1 585 136 136 ALA C C 178.836 0.3 1 586 136 136 ALA CA C 53.731 0.3 1 587 136 136 ALA CB C 17.697 0.3 1 588 136 136 ALA N N 122.436 0.3 1 589 137 137 ASN H H 8.047 0.020 1 590 137 137 ASN C C 176.184 0.3 1 591 137 137 ASN CA C 53.963 0.3 1 592 137 137 ASN CB C 38.604 0.3 1 593 137 137 ASN N N 114.363 0.3 1 594 138 138 LYS H H 8.185 0.020 1 595 138 138 LYS C C 175.958 0.3 1 596 138 138 LYS CA C 55.244 0.3 1 597 138 138 LYS N N 116.242 0.3 1 598 140 140 LYS H H 8.913 0.020 1 599 140 140 LYS CA C 53.955 0.3 1 600 140 140 LYS N N 125.407 0.3 1 601 141 141 ALA H H 8.658 0.020 1 602 141 141 ALA C C 174.782 0.3 1 603 141 141 ALA CA C 49.773 0.3 1 604 141 141 ALA CB C 20.850 0.3 1 605 141 141 ALA N N 122.954 0.3 1 606 142 142 THR H H 8.708 0.020 1 607 142 142 THR C C 174.255 0.3 1 608 142 142 THR CA C 60.814 0.3 1 609 142 142 THR CB C 67.326 0.3 1 610 142 142 THR N N 119.648 0.3 1 611 143 143 LEU H H 8.871 0.020 1 612 143 143 LEU C C 175.355 0.3 1 613 143 143 LEU CA C 54.385 0.3 1 614 143 143 LEU CB C 42.648 0.3 1 615 143 143 LEU N N 129.790 0.3 1 616 144 144 GLN H H 7.799 0.020 1 617 144 144 GLN C C 174.044 0.3 1 618 144 144 GLN CA C 55.015 0.3 1 619 144 144 GLN CB C 33.806 0.3 1 620 144 144 GLN N N 117.104 0.3 1 621 147 147 ALA H H 9.189 0.020 1 622 147 147 ALA C C 175.611 0.3 1 623 147 147 ALA CA C 48.683 0.3 1 624 147 147 ALA CB C 20.096 0.3 1 625 147 147 ALA N N 128.724 0.3 1 626 148 148 ARG H H 9.225 0.020 1 627 148 148 ARG C C 176.048 0.3 1 628 148 148 ARG CA C 54.784 0.3 1 629 148 148 ARG CB C 32.640 0.3 1 630 148 148 ARG N N 121.112 0.3 1 631 149 149 GLY H H 8.105 0.020 1 632 149 149 GLY C C 174.089 0.3 1 633 149 149 GLY CA C 46.045 0.3 1 634 149 149 GLY N N 110.568 0.3 1 635 150 150 PHE H H 7.327 0.020 1 636 150 150 PHE C C 174.194 0.3 1 637 150 150 PHE CA C 52.883 0.3 1 638 150 150 PHE CB C 40.866 0.3 1 639 150 150 PHE N N 112.492 0.3 1 640 151 151 PHE H H 9.144 0.020 1 641 151 151 PHE C C 174.194 0.3 1 642 151 151 PHE CA C 57.365 0.3 1 643 151 151 PHE CB C 41.689 0.3 1 644 151 151 PHE N N 120.264 0.3 1 645 153 153 ASP H H 8.346 0.020 1 646 153 153 ASP C C 175.671 0.3 1 647 153 153 ASP CA C 52.895 0.3 1 648 153 153 ASP CB C 35.543 0.3 1 649 153 153 ASP N N 116.940 0.3 1 650 154 154 HIS H H 7.438 0.020 1 651 154 154 HIS C C 173.049 0.3 1 652 154 154 HIS CA C 51.577 0.3 1 653 154 154 HIS CB C 28.422 0.3 1 654 154 154 HIS N N 124.291 0.3 1 655 155 155 VAL H H 7.308 0.020 1 656 155 155 VAL C C 174.948 0.3 1 657 155 155 VAL CA C 57.365 0.3 1 658 155 155 VAL CB C 35.039 0.3 1 659 155 155 VAL N N 112.606 0.3 1 660 156 156 GLU H H 8.245 0.020 1 661 156 156 GLU C C 174.451 0.3 1 662 156 156 GLU CA C 54.416 0.3 1 663 156 156 GLU CB C 32.503 0.3 1 664 156 156 GLU N N 120.292 0.3 1 665 157 157 LEU H H 9.237 0.020 1 666 157 157 LEU C C 175.641 0.3 1 667 157 157 LEU CA C 54.385 0.3 1 668 157 157 LEU CB C 44.431 0.3 1 669 157 157 LEU N N 131.329 0.3 1 670 158 158 SER H H 9.708 0.020 1 671 158 158 SER C C 171.331 0.3 1 672 158 158 SER CA C 56.276 0.3 1 673 158 158 SER CB C 65.955 0.3 1 674 158 158 SER N N 122.567 0.3 1 675 159 159 TRP H H 8.858 0.020 1 676 159 159 TRP C C 175.204 0.3 1 677 159 159 TRP CA C 55.875 0.3 1 678 159 159 TRP CB C 32.298 0.3 1 679 159 159 TRP N N 120.915 0.3 1 680 160 160 TRP H H 9.381 0.020 1 681 160 160 TRP C C 176.787 0.3 1 682 160 160 TRP CA C 54.823 0.3 1 683 160 160 TRP CB C 29.624 0.3 1 684 160 160 TRP N N 121.246 0.3 1 685 161 161 VAL H H 9.233 0.020 1 686 161 161 VAL C C 176.440 0.3 1 687 161 161 VAL CA C 59.743 0.3 1 688 161 161 VAL CB C 32.366 0.3 1 689 161 161 VAL N N 127.233 0.3 1 690 162 162 ASN H H 9.733 0.020 1 691 162 162 ASN C C 175.897 0.3 1 692 162 162 ASN CA C 54.156 0.3 1 693 162 162 ASN CB C 36.136 0.3 1 694 162 162 ASN N N 129.115 0.3 1 695 163 163 GLY H H 8.911 0.020 1 696 163 163 GLY C C 173.607 0.3 1 697 163 163 GLY CA C 45.172 0.3 1 698 163 163 GLY N N 102.690 0.3 1 699 164 164 LYS H H 7.753 0.020 1 700 164 164 LYS C C 174.104 0.3 1 701 164 164 LYS CA C 53.726 0.3 1 702 164 164 LYS CB C 34.080 0.3 1 703 164 164 LYS N N 121.415 0.3 1 704 165 165 GLU H H 8.080 0.020 1 705 165 165 GLU C C 176.726 0.3 1 706 165 165 GLU CA C 55.674 0.3 1 707 165 165 GLU CB C 27.431 0.3 1 708 165 165 GLU N N 128.133 0.3 1 709 166 166 VAL H H 7.996 0.020 1 710 166 166 VAL C C 173.622 0.3 1 711 166 166 VAL CA C 59.514 0.3 1 712 166 166 VAL CB C 33.806 0.3 1 713 166 166 VAL N N 123.083 0.3 1 714 167 167 HIS H H 8.297 0.020 1 715 167 167 HIS CA C 55.006 0.3 1 716 167 167 HIS N N 125.447 0.3 1 717 168 168 SER H H 7.682 0.020 1 718 168 168 SER CA C 57.422 0.3 1 719 168 168 SER N N 120.610 0.3 1 720 170 170 VAL H H 7.221 0.020 1 721 170 170 VAL C C 176.772 0.3 1 722 170 170 VAL CA C 60.803 0.3 1 723 170 170 VAL CB C 32.572 0.3 1 724 170 170 VAL N N 121.536 0.3 1 725 171 171 SER H H 9.000 0.020 1 726 171 171 SER C C 173.297 0.3 1 727 171 171 SER CA C 56.115 0.3 1 728 171 171 SER CB C 63.282 0.3 1 729 171 171 SER N N 123.636 0.3 1 730 172 172 THR H H 9.195 0.020 1 731 172 172 THR C C 173.715 0.3 1 732 172 172 THR CA C 60.374 0.3 1 733 172 172 THR CB C 69.314 0.3 1 734 172 172 THR N N 127.676 0.3 1 735 173 173 ASP H H 8.437 0.020 1 736 173 173 ASP C C 174.433 0.3 1 737 173 173 ASP CA C 53.325 0.3 1 738 173 173 ASP CB C 39.564 0.3 1 739 173 173 ASP N N 130.584 0.3 1 740 175 175 GLN H H 7.299 0.020 1 741 175 175 GLN C C 174.014 0.3 1 742 175 175 GLN CA C 53.309 0.3 1 743 175 175 GLN CB C 31.269 0.3 1 744 175 175 GLN N N 112.826 0.3 1 745 176 176 ALA H H 9.047 0.020 1 746 176 176 ALA C C 176.420 0.3 1 747 176 176 ALA CA C 51.605 0.3 1 748 176 176 ALA CB C 18.999 0.3 1 749 176 176 ALA N N 125.308 0.3 1 750 177 177 TYR H H 9.260 0.020 1 751 177 177 TYR C C 174.567 0.3 1 752 177 177 TYR CA C 56.115 0.3 1 753 177 177 TYR CB C 39.289 0.3 1 754 177 177 TYR N N 124.456 0.3 1 755 178 178 LYS H H 8.373 0.020 1 756 178 178 LYS C C 175.240 0.3 1 757 178 178 LYS CA C 55.746 0.3 1 758 178 178 LYS CB C 31.064 0.3 1 759 178 178 LYS N N 127.574 0.3 1 760 179 179 GLU H H 8.331 0.020 1 761 179 179 GLU C C 176.376 0.3 1 762 179 179 GLU CA C 56.776 0.3 1 763 179 179 GLU CB C 29.967 0.3 1 764 179 179 GLU N N 128.475 0.3 1 765 180 180 SER H H 7.976 0.020 1 766 180 180 SER C C 173.611 0.3 1 767 180 180 SER CA C 56.533 0.3 1 768 180 180 SER CB C 62.596 0.3 1 769 180 180 SER N N 112.440 0.3 1 770 182 182 TYR H H 7.745 0.020 1 771 182 182 TYR C C 174.074 0.3 1 772 182 182 TYR CA C 54.177 0.3 1 773 182 182 TYR CB C 37.027 0.3 1 774 182 182 TYR N N 113.414 0.3 1 775 183 183 SER H H 6.744 0.020 1 776 183 183 SER C C 172.206 0.3 1 777 183 183 SER CA C 58.003 0.3 1 778 183 183 SER CB C 63.761 0.3 1 779 183 183 SER N N 112.178 0.3 1 780 184 184 TYR H H 8.590 0.020 1 781 184 184 TYR C C 173.820 0.3 1 782 184 184 TYR CA C 56.585 0.3 1 783 184 184 TYR CB C 42.169 0.3 1 784 184 184 TYR N N 126.184 0.3 1 785 185 185 SER H H 8.948 0.020 1 786 185 185 SER C C 172.654 0.3 1 787 185 185 SER CA C 56.104 0.3 1 788 185 185 SER CB C 66.366 0.3 1 789 185 185 SER N N 111.026 0.3 1 790 186 186 LEU H H 9.289 0.020 1 791 186 186 LEU C C 173.491 0.3 1 792 186 186 LEU CA C 55.159 0.3 1 793 186 186 LEU CB C 46.898 0.3 1 794 186 186 LEU N N 123.838 0.3 1 795 187 187 SER H H 8.409 0.020 1 796 187 187 SER C C 172.475 0.3 1 797 187 187 SER CA C 56.342 0.3 1 798 187 187 SER CB C 67.394 0.3 1 799 187 187 SER N N 121.271 0.3 1 800 188 188 SER H H 8.791 0.020 1 801 188 188 SER C C 172.550 0.3 1 802 188 188 SER CA C 55.921 0.3 1 803 188 188 SER CB C 63.898 0.3 1 804 188 188 SER N N 113.613 0.3 1 805 189 189 ARG H H 8.792 0.020 1 806 189 189 ARG C C 173.431 0.3 1 807 189 189 ARG CA C 54.156 0.3 1 808 189 189 ARG CB C 32.092 0.3 1 809 189 189 ARG N N 128.472 0.3 1 810 190 190 LEU H H 8.032 0.020 1 811 190 190 LEU C C 173.514 0.3 1 812 190 190 LEU CA C 52.322 0.3 1 813 190 190 LEU CB C 39.906 0.3 1 814 190 190 LEU N N 123.860 0.3 1 815 191 191 ARG H H 8.286 0.020 1 816 191 191 ARG C C 175.763 0.3 1 817 191 191 ARG CA C 53.955 0.3 1 818 191 191 ARG CB C 30.652 0.3 1 819 191 191 ARG N N 127.940 0.3 1 820 192 192 VAL H H 8.671 0.020 1 821 192 192 VAL C C 174.597 0.3 1 822 192 192 VAL CA C 57.623 0.3 1 823 192 192 VAL CB C 34.902 0.3 1 824 192 192 VAL N N 119.433 0.3 1 825 193 193 SER H H 8.672 0.020 1 826 193 193 SER C C 175.539 0.3 1 827 193 193 SER CA C 57.795 0.3 1 828 193 193 SER CB C 63.007 0.3 1 829 193 193 SER N N 116.907 0.3 1 830 194 194 ALA H H 8.349 0.020 1 831 194 194 ALA C C 178.318 0.3 1 832 194 194 ALA CA C 55.330 0.3 1 833 194 194 ALA CB C 16.874 0.3 1 834 194 194 ALA N N 126.855 0.3 1 835 195 195 THR H H 7.967 0.020 1 836 195 195 THR C C 176.048 0.3 1 837 195 195 THR CA C 64.357 0.3 1 838 195 195 THR CB C 68.011 0.3 1 839 195 195 THR N N 108.615 0.3 1 840 196 196 PHE H H 7.658 0.020 1 841 196 196 PHE C C 178.169 0.3 1 842 196 196 PHE CA C 60.517 0.3 1 843 196 196 PHE CB C 39.906 0.3 1 844 196 196 PHE N N 124.846 0.3 1 845 197 197 TRP H H 7.760 0.020 1 846 197 197 TRP C C 173.999 0.3 1 847 197 197 TRP CA C 58.225 0.3 1 848 197 197 TRP CB C 29.144 0.3 1 849 197 197 TRP N N 119.644 0.3 1 850 198 198 HIS H H 7.595 0.020 1 851 198 198 HIS C C 174.209 0.3 1 852 198 198 HIS CA C 53.955 0.3 1 853 198 198 HIS CB C 27.705 0.3 1 854 198 198 HIS N N 112.272 0.3 1 855 199 199 ASN H H 6.885 0.020 1 856 199 199 ASN C C 174.164 0.3 1 857 199 199 ASN CA C 49.026 0.3 1 858 199 199 ASN CB C 38.261 0.3 1 859 199 199 ASN N N 118.657 0.3 1 860 201 201 ARG H H 7.628 0.020 1 861 201 201 ARG C C 176.914 0.3 1 862 201 201 ARG CA C 55.359 0.3 1 863 201 201 ARG CB C 28.733 0.3 1 864 201 201 ARG N N 115.495 0.3 1 865 202 202 ASN H H 7.668 0.020 1 866 202 202 ASN C C 171.967 0.3 1 867 202 202 ASN CA C 51.887 0.3 1 868 202 202 ASN CB C 37.850 0.3 1 869 202 202 ASN N N 118.220 0.3 1 870 203 203 HIS H H 8.212 0.020 1 871 203 203 HIS C C 173.013 0.3 1 872 203 203 HIS CA C 55.136 0.3 1 873 203 203 HIS CB C 33.874 0.3 1 874 203 203 HIS N N 122.805 0.3 1 875 204 204 PHE H H 8.460 0.020 1 876 204 204 PHE C C 173.581 0.3 1 877 204 204 PHE CA C 55.802 0.3 1 878 204 204 PHE CB C 41.277 0.3 1 879 204 204 PHE N N 124.652 0.3 1 880 205 205 ARG H H 9.180 0.020 1 881 205 205 ARG C C 173.402 0.3 1 882 205 205 ARG CA C 54.156 0.3 1 883 205 205 ARG CB C 34.423 0.3 1 884 205 205 ARG N N 121.827 0.3 1 885 206 206 CYS H H 8.859 0.020 1 886 206 206 CYS C C 171.474 0.3 1 887 206 206 CYS CA C 51.974 0.3 1 888 206 206 CYS CB C 42.511 0.3 1 889 206 206 CYS N N 127.600 0.3 1 890 207 207 GLN H H 9.246 0.020 1 891 207 207 GLN C C 173.432 0.3 1 892 207 207 GLN CA C 53.766 0.3 1 893 207 207 GLN CB C 32.160 0.3 1 894 207 207 GLN N N 128.165 0.3 1 895 208 208 VAL H H 9.123 0.020 1 896 208 208 VAL C C 174.164 0.3 1 897 208 208 VAL CA C 59.968 0.3 1 898 208 208 VAL CB C 31.475 0.3 1 899 208 208 VAL N N 127.654 0.3 1 900 209 209 GLN H H 8.886 0.020 1 901 209 209 GLN C C 173.820 0.3 1 902 209 209 GLN CA C 54.385 0.3 1 903 209 209 GLN CB C 29.281 0.3 1 904 209 209 GLN N N 128.601 0.3 1 905 210 210 PHE H H 8.835 0.020 1 906 210 210 PHE C C 172.610 0.3 1 907 210 210 PHE CA C 54.920 0.3 1 908 210 210 PHE CB C 40.935 0.3 1 909 210 210 PHE N N 128.404 0.3 1 910 211 211 HIS H H 7.415 0.020 1 911 211 211 HIS C C 174.119 0.3 1 912 211 211 HIS CA C 55.136 0.3 1 913 211 211 HIS CB C 29.350 0.3 1 914 211 211 HIS N N 128.286 0.3 1 915 212 212 GLY H H 7.761 0.020 1 916 212 212 GLY C C 173.521 0.3 1 917 212 212 GLY CA C 42.995 0.3 1 918 212 212 GLY N N 112.682 0.3 1 919 213 213 LEU H H 8.248 0.020 1 920 213 213 LEU C C 176.121 0.3 1 921 213 213 LEU CA C 54.158 0.3 1 922 213 213 LEU CB C 41.346 0.3 1 923 213 213 LEU N N 124.508 0.3 1 924 214 214 SER H H 9.259 0.020 1 925 214 214 SER C C 176.062 0.3 1 926 214 214 SER CA C 56.505 0.3 1 927 214 214 SER CB C 64.653 0.3 1 928 214 214 SER N N 116.777 0.3 1 929 215 215 GLU H H 8.576 0.020 1 930 215 215 GLU CA C 58.712 0.3 1 931 215 215 GLU N N 116.566 0.3 1 932 216 216 GLU H H 8.282 0.020 1 933 216 216 GLU C C 177.093 0.3 1 934 216 216 GLU CA C 56.563 0.3 1 935 216 216 GLU CB C 28.802 0.3 1 936 216 216 GLU N N 115.905 0.3 1 937 217 217 ASP H H 7.294 0.020 1 938 217 217 ASP C C 175.897 0.3 1 939 217 217 ASP CA C 54.823 0.3 1 940 217 217 ASP CB C 41.277 0.3 1 941 217 217 ASP N N 120.822 0.3 1 942 218 218 LYS H H 8.443 0.020 1 943 218 218 LYS C C 175.793 0.3 1 944 218 218 LYS CA C 55.768 0.3 1 945 218 218 LYS CB C 31.886 0.3 1 946 218 218 LYS N N 122.946 0.3 1 947 219 219 TRP H H 8.251 0.020 1 948 219 219 TRP C C 173.727 0.3 1 949 219 219 TRP CA C 53.336 0.3 1 950 219 219 TRP CB C 32.023 0.3 1 951 219 219 TRP N N 123.647 0.3 1 952 221 221 GLU H H 8.599 0.020 1 953 221 221 GLU CA C 58.192 0.3 1 954 221 221 GLU N N 123.465 0.3 1 955 222 222 GLY H H 7.911 0.020 1 956 222 222 GLY CA C 45.158 0.3 1 957 222 222 GLY N N 112.868 0.3 1 958 223 223 SER H H 7.688 0.020 1 959 223 223 SER C C 172.161 0.3 1 960 223 223 SER CA C 55.560 0.3 1 961 223 223 SER CB C 62.870 0.3 1 962 223 223 SER N N 116.191 0.3 1 963 227 227 VAL H H 7.588 0.020 1 964 227 227 VAL C C 175.718 0.3 1 965 227 227 VAL CA C 59.571 0.3 1 966 227 227 VAL CB C 32.435 0.3 1 967 227 227 VAL N N 118.051 0.3 1 968 228 228 THR H H 7.733 0.020 1 969 228 228 THR C C 174.522 0.3 1 970 228 228 THR CA C 62.523 0.3 1 971 228 228 THR CB C 68.628 0.3 1 972 228 228 THR N N 118.839 0.3 1 973 229 229 GLN H H 8.767 0.020 1 974 229 229 GLN C C 172.087 0.3 1 975 229 229 GLN CA C 54.156 0.3 1 976 229 229 GLN CB C 31.201 0.3 1 977 229 229 GLN N N 122.751 0.3 1 978 230 230 ASN H H 8.586 0.020 1 979 230 230 ASN C C 174.582 0.3 1 980 230 230 ASN CA C 51.176 0.3 1 981 230 230 ASN CB C 39.289 0.3 1 982 230 230 ASN N N 120.131 0.3 1 983 231 231 ILE H H 8.956 0.020 1 984 231 231 ILE C C 174.552 0.3 1 985 231 231 ILE CA C 59.944 0.3 1 986 231 231 ILE CB C 39.632 0.3 1 987 231 231 ILE N N 127.022 0.3 1 988 232 232 SER H H 8.520 0.020 1 989 232 232 SER C C 172.983 0.3 1 990 232 232 SER CA C 56.534 0.3 1 991 232 232 SER CB C 66.435 0.3 1 992 232 232 SER N N 120.795 0.3 1 993 233 233 ALA H H 8.530 0.020 1 994 233 233 ALA C C 175.031 0.3 1 995 233 233 ALA CA C 50.746 0.3 1 996 233 233 ALA CB C 22.427 0.3 1 997 233 233 ALA N N 123.956 0.3 1 998 234 234 GLU H H 8.739 0.020 1 999 234 234 GLU C C 174.448 0.3 1 1000 234 234 GLU CA C 53.551 0.3 1 1001 234 234 GLU CB C 33.874 0.3 1 1002 234 234 GLU N N 118.816 0.3 1 1003 235 235 ALA H H 8.967 0.020 1 1004 235 235 ALA C C 174.762 0.3 1 1005 235 235 ALA CA C 51.405 0.3 1 1006 235 235 ALA CB C 21.672 0.3 1 1007 235 235 ALA N N 122.158 0.3 1 1008 236 236 TRP H H 8.474 0.020 1 1009 236 236 TRP C C 176.211 0.3 1 1010 236 236 TRP CA C 56.035 0.3 1 1011 236 236 TRP CB C 31.201 0.3 1 1012 236 236 TRP N N 121.760 0.3 1 1013 237 237 GLY H H 8.541 0.020 1 1014 237 237 GLY C C 171.997 0.3 1 1015 237 237 GLY CA C 45.172 0.3 1 1016 237 237 GLY N N 105.509 0.3 1 1017 238 238 ARG H H 6.079 0.020 1 1018 238 238 ARG C C 174.493 0.3 1 1019 238 238 ARG CA C 53.751 0.3 1 1020 238 238 ARG CB C 31.475 0.3 1 1021 238 238 ARG N N 117.125 0.3 1 1022 239 239 ALA H H 8.443 0.020 1 1023 239 239 ALA C C 177.452 0.3 1 1024 239 239 ALA CA C 51.770 0.3 1 1025 239 239 ALA CB C 18.176 0.3 1 1026 239 239 ALA N N 126.442 0.3 1 1027 240 240 ASP H H 8.257 0.020 1 1028 240 240 ASP C C 174.986 0.3 1 1029 240 240 ASP CA C 53.418 0.3 1 1030 240 240 ASP CB C 39.975 0.3 1 1031 240 240 ASP N N 120.680 0.3 1 1032 241 241 SER H H 7.644 0.020 1 1033 241 241 SER C C 178.513 0.3 1 1034 241 241 SER CA C 59.085 0.3 1 1035 241 241 SER CB C 63.967 0.3 1 1036 241 241 SER N N 121.423 0.3 1 stop_ save_