data_26602 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor D10 beta subunit ; _BMRB_accession_number 26602 _BMRB_flat_file_name bmr26602.str _Entry_type original _Submission_date 2015-07-06 _Accession_date 2015-07-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor D10 beta subunit' 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" 192 "13C chemical shifts" 554 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 update BMRB 'update entry citation' 2015-07-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26600 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit' 26601 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit' stop_ _Original_release_date 2015-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_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_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35 _Page_last 39 _Year 2016 _Details . loop_ _Keyword MHC 'T-cell Receptor (TCR)' immunology 'protein refolding' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'D10alphabetaTCR, pTalpha/D10beta' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'beta subunit' $D10_beta_TCR 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_D10_beta_TCR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common D10_beta_TCR _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 237 _Mol_residue_sequence ; MAVTQSPRNKVAVTGGKVTL SCNQTNNHNNMYWYRQDTGH GLRLIHYSYGAGSTEKGDIP DGYKASRPSQENFSLILELA TPSQTSVYFCASGGQGRAEQ FFGPGTRLTVLEDLRNVTPP KVSLFEPSKAEIANKQKATL VCLARGFFPDHVELSWWVNG KEVHSGVSTDPQAYKESNYS YSLSSRLRVSATFWHNPRNH FRCQVQFHGLSEEDKWPEGS PKPVTQNISAEAWGRAD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 MET 2 3 ALA 3 4 VAL 4 5 THR 5 6 GLN 6 7 SER 7 8 PRO 8 9 ARG 9 10 ASN 10 11 LYS 11 12 VAL 12 13 ALA 13 14 VAL 14 15 THR 15 16 GLY 16 17 GLY 17 18 LYS 18 19 VAL 19 20 THR 20 21 LEU 21 22 SER 22 23 CYS 23 24 ASN 24 25 GLN 25 26 THR 26 27 ASN 27 28 ASN 28 29 HIS 29 30 ASN 30 31 ASN 31 32 MET 32 33 TYR 33 34 TRP 34 35 TYR 35 36 ARG 36 37 GLN 37 38 ASP 38 39 THR 39 40 GLY 40 41 HIS 41 42 GLY 42 43 LEU 43 44 ARG 44 45 LEU 45 46 ILE 46 47 HIS 47 48 TYR 48 49 SER 49 50 TYR 50 51 GLY 51 52 ALA 52 53 GLY 53 54 SER 54 55 THR 55 56 GLU 56 57 LYS 57 58 GLY 58 59 ASP 59 60 ILE 60 61 PRO 61 62 ASP 62 63 GLY 63 64 TYR 64 65 LYS 65 66 ALA 66 67 SER 67 68 ARG 68 69 PRO 69 70 SER 70 71 GLN 71 72 GLU 72 73 ASN 73 74 PHE 74 75 SER 75 76 LEU 76 77 ILE 77 78 LEU 78 79 GLU 79 80 LEU 80 81 ALA 81 82 THR 82 83 PRO 83 84 SER 84 85 GLN 85 86 THR 86 87 SER 87 88 VAL 88 89 TYR 89 90 PHE 90 91 CYS 91 92 ALA 92 93 SER 93 94 GLY 94 95 GLY 95 96 GLN 96 97 GLY 97 98 ARG 98 99 ALA 99 100 GLU 100 101 GLN 101 102 PHE 102 103 PHE 103 104 GLY 104 105 PRO 105 106 GLY 106 107 THR 107 108 ARG 108 109 LEU 109 110 THR 110 111 VAL 111 112 LEU 112 113 GLU 113 114 ASP 114 115 LEU 115 116 ARG 116 117 ASN 117 118 VAL 118 119 THR 119 120 PRO 120 121 PRO 121 122 LYS 122 123 VAL 123 124 SER 124 125 LEU 125 126 PHE 126 127 GLU 127 128 PRO 128 129 SER 129 130 LYS 130 131 ALA 131 132 GLU 132 133 ILE 133 134 ALA 134 135 ASN 135 136 LYS 136 137 GLN 137 138 LYS 138 139 ALA 139 140 THR 140 141 LEU 141 142 VAL 142 143 CYS 143 144 LEU 144 145 ALA 145 146 ARG 146 147 GLY 147 148 PHE 148 149 PHE 149 150 PRO 150 151 ASP 151 152 HIS 152 153 VAL 153 154 GLU 154 155 LEU 155 156 SER 156 157 TRP 157 158 TRP 158 159 VAL 159 160 ASN 160 161 GLY 161 162 LYS 162 163 GLU 163 164 VAL 164 165 HIS 165 166 SER 166 167 GLY 167 168 VAL 168 169 SER 169 170 THR 170 171 ASP 171 172 PRO 172 173 GLN 173 174 ALA 174 175 TYR 175 176 LYS 176 177 GLU 177 178 SER 178 179 ASN 179 180 TYR 180 181 SER 181 182 TYR 182 183 SER 183 184 LEU 184 185 SER 185 186 SER 186 187 ARG 187 188 LEU 188 189 ARG 189 190 VAL 190 191 SER 191 192 ALA 192 193 THR 193 194 PHE 194 195 TRP 195 196 HIS 196 197 ASN 197 198 PRO 198 199 ARG 199 200 ASN 200 201 HIS 201 202 PHE 202 203 ARG 203 204 CYS 204 205 GLN 205 206 VAL 206 207 GLN 207 208 PHE 208 209 HIS 209 210 GLY 210 211 LEU 211 212 SER 212 213 GLU 213 214 GLU 214 215 ASP 215 216 LYS 216 217 TRP 217 218 PRO 218 219 GLU 219 220 GLY 220 221 SER 221 222 PRO 222 223 LYS 223 224 PRO 224 225 VAL 225 226 THR 226 227 GLN 227 228 ASN 228 229 ILE 229 230 SER 230 231 ALA 231 232 GLU 232 233 ALA 233 234 TRP 234 235 GLY 235 236 ARG 236 237 ALA 237 238 ASP 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 $D10_beta_TCR 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $D10_beta_TCR 'recombinant technology' . Escherichia coli . 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 $D10_beta_TCR 0.4 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 150 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_ ######################### # 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 . . . 1 water H 1 protons ppm 4.7 internal indirect . . . 1 water N 15 protons ppm 4.7 internal indirect . . . 1 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 '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 'beta subunit' _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 4 3 VAL H H 8.362 0.020 1 2 4 3 VAL C C 175.053 0.3 1 3 4 3 VAL CA C 62.019 0.3 1 4 4 3 VAL CB C 33.143 0.3 1 5 4 3 VAL N N 122.107 0.3 1 6 5 4 THR H H 9.404 0.020 1 7 5 4 THR C C 173.321 0.3 1 8 5 4 THR CA C 59.225 0.3 1 9 5 4 THR CB C 70.661 0.3 1 10 5 4 THR N N 119.182 0.3 1 11 6 5 GLN H H 8.275 0.020 1 12 6 5 GLN C C 174.423 0.3 1 13 6 5 GLN CA C 53.636 0.3 1 14 6 5 GLN CB C 32.774 0.3 1 15 6 5 GLN N N 117.982 0.3 1 16 7 6 SER H H 8.511 0.020 1 17 7 6 SER C C 172.454 0.3 1 18 7 6 SER CA C 54.519 0.3 1 19 7 6 SER CB C 64.469 0.3 1 20 7 6 SER N N 115.442 0.3 1 21 10 9 ASN H H 7.580 0.020 1 22 10 9 ASN C C 173.116 0.3 1 23 10 9 ASN CA C 52.313 0.3 1 24 10 9 ASN CB C 42.967 0.3 1 25 10 9 ASN N N 118.693 0.3 1 26 11 10 LYS H H 8.804 0.020 1 27 11 10 LYS C C 172.754 0.3 1 28 11 10 LYS CA C 54.489 0.3 1 29 11 10 LYS CB C 34.322 0.3 1 30 11 10 LYS N N 122.907 0.3 1 31 12 11 VAL H H 8.593 0.020 1 32 12 11 VAL C C 173.935 0.3 1 33 12 11 VAL CA C 60.136 0.3 1 34 12 11 VAL CB C 31.521 0.3 1 35 12 11 VAL N N 128.829 0.3 1 36 13 12 ALA H H 8.816 0.020 1 37 13 12 ALA C C 174.077 0.3 1 38 13 12 ALA CA C 48.754 0.3 1 39 13 12 ALA CB C 22.307 0.3 1 40 13 12 ALA N N 129.337 0.3 1 41 14 13 VAL H H 8.083 0.020 1 42 14 13 VAL C C 175.542 0.3 1 43 14 13 VAL CA C 58.636 0.3 1 44 14 13 VAL CB C 32.995 0.3 1 45 14 13 VAL N N 118.374 0.3 1 46 15 14 THR H H 7.924 0.020 1 47 15 14 THR C C 175.652 0.3 1 48 15 14 THR CA C 62.901 0.3 1 49 15 14 THR CB C 68.450 0.3 1 50 15 14 THR N N 120.553 0.3 1 51 16 15 GLY H H 9.672 0.020 1 52 16 15 GLY C C 174.502 0.3 1 53 16 15 GLY CA C 44.077 0.3 1 54 16 15 GLY N N 116.091 0.3 1 55 17 16 GLY H H 8.353 0.020 1 56 17 16 GLY C C 170.722 0.3 1 57 17 16 GLY CA C 43.695 0.3 1 58 17 16 GLY N N 109.934 0.3 1 59 18 17 LYS H H 7.878 0.020 1 60 18 17 LYS C C 177.384 0.3 1 61 18 17 LYS CA C 54.107 0.3 1 62 18 17 LYS CB C 32.627 0.3 1 63 18 17 LYS N N 119.700 0.3 1 64 19 18 VAL H H 8.660 0.020 1 65 19 18 VAL C C 173.447 0.3 1 66 19 18 VAL CA C 60.254 0.3 1 67 19 18 VAL CB C 34.690 0.3 1 68 19 18 VAL N N 126.602 0.3 1 69 20 19 THR H H 8.159 0.020 1 70 20 19 THR C C 173.494 0.3 1 71 20 19 THR CA C 61.137 0.3 1 72 20 19 THR CB C 69.555 0.3 1 73 20 19 THR N N 122.451 0.3 1 74 21 20 LEU H H 9.305 0.020 1 75 21 20 LEU C C 175.085 0.3 1 76 21 20 LEU CA C 52.783 0.3 1 77 21 20 LEU CB C 41.251 0.3 1 78 21 20 LEU N N 128.382 0.3 1 79 22 21 SER H H 8.951 0.020 1 80 22 21 SER C C 172.958 0.3 1 81 22 21 SER CA C 57.489 0.3 1 82 22 21 SER CB C 64.174 0.3 1 83 22 21 SER N N 117.569 0.3 1 84 23 22 CYS H H 8.150 0.020 1 85 23 22 CYS C C 172.108 0.3 1 86 23 22 CYS CA C 52.842 0.3 1 87 23 22 CYS CB C 41.545 0.3 1 88 23 22 CYS N N 125.965 0.3 1 89 24 23 ASN H H 8.784 0.020 1 90 24 23 ASN C C 173.116 0.3 1 91 24 23 ASN CA C 51.224 0.3 1 92 24 23 ASN CB C 42.356 0.3 1 93 24 23 ASN N N 126.258 0.3 1 94 25 24 GLN H H 9.214 0.020 1 95 25 24 GLN C C 175.857 0.3 1 96 25 24 GLN CA C 52.283 0.3 1 97 25 24 GLN CB C 29.604 0.3 1 98 25 24 GLN N N 119.557 0.3 1 99 26 25 THR H H 8.161 0.020 1 100 26 25 THR C C 174.518 0.3 1 101 26 25 THR CA C 59.136 0.3 1 102 26 25 THR CB C 67.786 0.3 1 103 26 25 THR N N 110.856 0.3 1 104 27 26 ASN H H 7.025 0.020 1 105 27 26 ASN C C 173.888 0.3 1 106 27 26 ASN CA C 52.754 0.3 1 107 27 26 ASN CB C 37.197 0.3 1 108 27 26 ASN N N 118.032 0.3 1 109 28 27 ASN H H 8.849 0.020 1 110 28 27 ASN C C 174.817 0.3 1 111 28 27 ASN CA C 53.136 0.3 1 112 28 27 ASN CB C 36.459 0.3 1 113 28 27 ASN N N 117.811 0.3 1 114 29 28 HIS H H 7.901 0.020 1 115 29 28 HIS C C 176.518 0.3 1 116 29 28 HIS CA C 53.695 0.3 1 117 29 28 HIS CB C 32.405 0.3 1 118 29 28 HIS N N 117.828 0.3 1 119 31 30 ASN H H 8.014 0.020 1 120 31 30 ASN C C 175.290 0.3 1 121 31 30 ASN CA C 51.460 0.3 1 122 31 30 ASN CB C 37.934 0.3 1 123 31 30 ASN N N 118.443 0.3 1 124 32 31 MET H H 8.124 0.020 1 125 32 31 MET C C 172.832 0.3 1 126 32 31 MET CA C 54.577 0.3 1 127 32 31 MET CB C 39.187 0.3 1 128 32 31 MET N N 117.272 0.3 1 129 33 32 TYR H H 8.652 0.020 1 130 33 32 TYR C C 174.171 0.3 1 131 33 32 TYR CA C 57.901 0.3 1 132 33 32 TYR CB C 43.020 0.3 1 133 33 32 TYR N N 115.842 0.3 1 134 34 33 TRP H H 8.473 0.020 1 135 34 33 TRP C C 174.502 0.3 1 136 34 33 TRP CA C 56.872 0.3 1 137 34 33 TRP CB C 33.585 0.3 1 138 34 33 TRP N N 119.488 0.3 1 139 35 34 TYR H H 9.839 0.020 1 140 35 34 TYR C C 176.959 0.3 1 141 35 34 TYR CA C 56.077 0.3 1 142 35 34 TYR CB C 43.609 0.3 1 143 35 34 TYR N N 120.624 0.3 1 144 36 35 ARG H H 8.859 0.020 1 145 36 35 ARG C C 173.636 0.3 1 146 36 35 ARG CA C 53.989 0.3 1 147 36 35 ARG CB C 31.300 0.3 1 148 36 35 ARG N N 115.854 0.3 1 149 46 45 ILE H H 9.340 0.020 1 150 46 45 ILE C C 174.581 0.3 1 151 46 45 ILE CA C 63.901 0.3 1 152 46 45 ILE CB C 38.966 0.3 1 153 46 45 ILE N N 130.758 0.3 1 154 47 46 HIS H H 7.093 0.020 1 155 47 46 HIS C C 173.589 0.3 1 156 47 46 HIS CA C 55.225 0.3 1 157 47 46 HIS CB C 39.334 0.3 1 158 47 46 HIS N N 111.073 0.3 1 159 48 47 TYR H H 9.391 0.020 1 160 48 47 TYR C C 172.218 0.3 1 161 48 47 TYR CA C 55.489 0.3 1 162 48 47 TYR CB C 40.587 0.3 1 163 48 47 TYR N N 117.400 0.3 1 164 49 48 SER H H 8.125 0.020 1 165 49 48 SER C C 173.982 0.3 1 166 49 48 SER CA C 55.666 0.3 1 167 49 48 SER CB C 63.216 0.3 1 168 49 48 SER N N 113.465 0.3 1 169 50 49 TYR H H 8.945 0.020 1 170 50 49 TYR C C 175.195 0.3 1 171 50 49 TYR CA C 54.901 0.3 1 172 50 49 TYR CB C 36.975 0.3 1 173 50 49 TYR N N 126.899 0.3 1 174 51 50 GLY H H 7.374 0.020 1 175 51 50 GLY C C 171.635 0.3 1 176 51 50 GLY CA C 44.518 0.3 1 177 51 50 GLY N N 105.972 0.3 1 178 52 51 ALA H H 8.582 0.020 1 179 52 51 ALA C C 178.660 0.3 1 180 52 51 ALA CA C 53.019 0.3 1 181 52 51 ALA CB C 16.705 0.3 1 182 52 51 ALA N N 121.842 0.3 1 183 53 52 GLY H H 8.836 0.020 1 184 53 52 GLY C C 173.667 0.3 1 185 53 52 GLY CA C 44.989 0.3 1 186 53 52 GLY N N 111.054 0.3 1 187 54 53 SER H H 7.937 0.020 1 188 54 53 SER C C 172.927 0.3 1 189 54 53 SER CA C 56.077 0.3 1 190 54 53 SER CB C 63.880 0.3 1 191 54 53 SER N N 114.981 0.3 1 192 55 54 THR H H 8.263 0.020 1 193 55 54 THR C C 171.431 0.3 1 194 55 54 THR CA C 60.136 0.3 1 195 55 54 THR CB C 70.587 0.3 1 196 55 54 THR N N 116.423 0.3 1 197 56 55 GLU H H 8.723 0.020 1 198 56 55 GLU C C 174.801 0.3 1 199 56 55 GLU CA C 52.842 0.3 1 200 56 55 GLU CB C 30.784 0.3 1 201 56 55 GLU N N 121.561 0.3 1 202 57 56 LYS H H 8.372 0.020 1 203 57 56 LYS C C 177.526 0.3 1 204 57 56 LYS CA C 56.754 0.3 1 205 57 56 LYS CB C 32.627 0.3 1 206 57 56 LYS N N 121.380 0.3 1 207 58 57 GLY H H 7.676 0.020 1 208 58 57 GLY C C 172.391 0.3 1 209 58 57 GLY CA C 42.812 0.3 1 210 58 57 GLY N N 109.309 0.3 1 211 64 63 TYR H H 8.239 0.020 1 212 64 63 TYR C C 175.526 0.3 1 213 64 63 TYR CA C 56.048 0.3 1 214 64 63 TYR CB C 41.619 0.3 1 215 64 63 TYR N N 117.966 0.3 1 216 65 64 LYS H H 9.240 0.020 1 217 65 64 LYS C C 173.478 0.3 1 218 65 64 LYS CA C 53.872 0.3 1 219 65 64 LYS CB C 34.985 0.3 1 220 65 64 LYS N N 124.879 0.3 1 221 66 65 ALA H H 8.122 0.020 1 222 66 65 ALA C C 175.872 0.3 1 223 66 65 ALA CA C 49.577 0.3 1 224 66 65 ALA CB C 21.496 0.3 1 225 66 65 ALA N N 123.315 0.3 1 226 67 66 SER H H 8.184 0.020 1 227 67 66 SER C C 172.076 0.3 1 228 67 66 SER CA C 56.519 0.3 1 229 67 66 SER CB C 64.027 0.3 1 230 67 66 SER N N 113.375 0.3 1 231 68 67 ARG H H 9.318 0.020 1 232 68 67 ARG C C 172.643 0.3 1 233 68 67 ARG CA C 51.077 0.3 1 234 68 67 ARG CB C 29.973 0.3 1 235 68 67 ARG N N 130.721 0.3 1 236 70 69 SER H H 7.599 0.020 1 237 70 69 SER C C 173.084 0.3 1 238 70 69 SER CA C 55.313 0.3 1 239 70 69 SER CB C 65.206 0.3 1 240 70 69 SER N N 110.173 0.3 1 241 71 70 GLN H H 9.024 0.020 1 242 71 70 GLN C C 178.267 0.3 1 243 71 70 GLN CA C 57.430 0.3 1 244 71 70 GLN CB C 27.835 0.3 1 245 71 70 GLN N N 119.763 0.3 1 246 72 71 GLU H H 8.590 0.020 1 247 72 71 GLU C C 175.179 0.3 1 248 72 71 GLU CA C 58.519 0.3 1 249 72 71 GLU CB C 29.383 0.3 1 250 72 71 GLU N N 114.114 0.3 1 251 73 72 ASN H H 6.980 0.020 1 252 73 72 ASN C C 173.069 0.3 1 253 73 72 ASN CA C 52.048 0.3 1 254 73 72 ASN CB C 42.430 0.3 1 255 73 72 ASN N N 115.641 0.3 1 256 74 73 PHE H H 8.661 0.020 1 257 74 73 PHE C C 175.825 0.3 1 258 74 73 PHE CA C 52.695 0.3 1 259 74 73 PHE CB C 40.587 0.3 1 260 74 73 PHE N N 120.924 0.3 1 261 75 74 SER H H 9.636 0.020 1 262 75 74 SER C C 170.958 0.3 1 263 75 74 SER CA C 57.372 0.3 1 264 75 74 SER CB C 64.838 0.3 1 265 75 74 SER N N 125.194 0.3 1 266 76 75 LEU H H 8.671 0.020 1 267 76 75 LEU C C 173.919 0.3 1 268 76 75 LEU CA C 52.224 0.3 1 269 76 75 LEU CB C 41.398 0.3 1 270 76 75 LEU N N 125.828 0.3 1 271 77 76 ILE H H 8.963 0.020 1 272 77 76 ILE C C 174.801 0.3 1 273 77 76 ILE CA C 60.401 0.3 1 274 77 76 ILE CB C 40.071 0.3 1 275 77 76 ILE N N 126.252 0.3 1 276 78 77 LEU H H 9.142 0.020 1 277 78 77 LEU C C 174.927 0.3 1 278 78 77 LEU CA C 54.489 0.3 1 279 78 77 LEU CB C 38.744 0.3 1 280 78 77 LEU N N 132.842 0.3 1 281 79 78 GLU H H 8.338 0.020 1 282 79 78 GLU C C 175.353 0.3 1 283 79 78 GLU CA C 58.283 0.3 1 284 79 78 GLU CB C 29.310 0.3 1 285 79 78 GLU N N 121.158 0.3 1 286 80 79 LEU H H 7.847 0.020 1 287 80 79 LEU C C 174.581 0.3 1 288 80 79 LEU CA C 53.577 0.3 1 289 80 79 LEU CB C 41.324 0.3 1 290 80 79 LEU N N 121.062 0.3 1 291 81 80 ALA H H 8.724 0.020 1 292 81 80 ALA C C 178.141 0.3 1 293 81 80 ALA CA C 52.166 0.3 1 294 81 80 ALA CB C 17.074 0.3 1 295 81 80 ALA N N 126.973 0.3 1 296 82 81 THR H H 8.507 0.020 1 297 82 81 THR C C 174.045 0.3 1 298 82 81 THR CA C 57.931 0.3 1 299 82 81 THR CB C 69.555 0.3 1 300 82 81 THR N N 113.131 0.3 1 301 85 84 GLN H H 8.466 0.020 1 302 85 84 GLN C C 176.786 0.3 1 303 85 84 GLN CA C 55.695 0.3 1 304 85 84 GLN CB C 27.246 0.3 1 305 85 84 GLN N N 120.161 0.3 1 306 86 85 THR H H 7.903 0.020 1 307 86 85 THR C C 173.384 0.3 1 308 86 85 THR CA C 63.754 0.3 1 309 86 85 THR CB C 69.481 0.3 1 310 86 85 THR N N 123.432 0.3 1 311 87 86 SER H H 8.899 0.020 1 312 87 86 SER C C 174.455 0.3 1 313 87 86 SER CA C 57.607 0.3 1 314 87 86 SER CB C 60.415 0.3 1 315 87 86 SER N N 122.817 0.3 1 316 88 87 VAL H H 8.353 0.020 1 317 88 87 VAL C C 174.581 0.3 1 318 88 87 VAL CA C 60.989 0.3 1 319 88 87 VAL CB C 31.816 0.3 1 320 88 87 VAL N N 120.383 0.3 1 321 89 88 TYR H H 9.040 0.020 1 322 89 88 TYR C C 176.912 0.3 1 323 89 88 TYR CA C 56.136 0.3 1 324 89 88 TYR CB C 40.772 0.3 1 325 89 88 TYR N N 123.480 0.3 1 326 90 89 PHE H H 9.457 0.020 1 327 90 89 PHE C C 172.754 0.3 1 328 90 89 PHE CA C 57.901 0.3 1 329 90 89 PHE CB C 43.388 0.3 1 330 90 89 PHE N N 122.345 0.3 1 331 91 90 CYS H H 7.762 0.020 1 332 91 90 CYS C C 177.967 0.3 1 333 91 90 CYS CA C 51.136 0.3 1 334 91 90 CYS CB C 44.273 0.3 1 335 91 90 CYS N N 123.959 0.3 1 336 93 92 SER H H 9.082 0.020 1 337 93 92 SER C C 172.880 0.3 1 338 93 92 SER CA C 56.754 0.3 1 339 93 92 SER CB C 67.049 0.3 1 340 93 92 SER N N 116.157 0.3 1 341 94 93 GLY H H 8.239 0.020 1 342 94 93 GLY C C 173.431 0.3 1 343 94 93 GLY CA C 44.224 0.3 1 344 94 93 GLY N N 106.525 0.3 1 345 95 94 GLY H H 7.946 0.020 1 346 95 94 GLY C C 172.785 0.3 1 347 95 94 GLY CA C 43.783 0.3 1 348 95 94 GLY N N 109.483 0.3 1 349 100 99 GLU H H 7.634 0.020 1 350 100 99 GLU C C 175.431 0.3 1 351 100 99 GLU CA C 55.254 0.3 1 352 100 99 GLU CB C 29.162 0.3 1 353 100 99 GLU N N 117.378 0.3 1 354 101 100 GLN H H 7.378 0.020 1 355 101 100 GLN C C 174.738 0.3 1 356 101 100 GLN CA C 54.195 0.3 1 357 101 100 GLN CB C 30.047 0.3 1 358 101 100 GLN N N 121.242 0.3 1 359 102 101 PHE H H 9.123 0.020 1 360 102 101 PHE C C 174.801 0.3 1 361 102 101 PHE CA C 56.048 0.3 1 362 102 101 PHE CB C 38.450 0.3 1 363 102 101 PHE N N 122.859 0.3 1 364 103 102 PHE H H 8.884 0.020 1 365 103 102 PHE C C 178.645 0.3 1 366 103 102 PHE CA C 58.225 0.3 1 367 103 102 PHE CB C 41.324 0.3 1 368 103 102 PHE N N 121.497 0.3 1 369 104 103 GLY H H 9.273 0.020 1 370 104 103 GLY C C 172.785 0.3 1 371 104 103 GLY CA C 43.665 0.3 1 372 104 103 GLY N N 108.563 0.3 1 373 106 105 GLY H H 6.569 0.020 1 374 106 105 GLY C C 171.919 0.3 1 375 106 105 GLY CA C 43.901 0.3 1 376 106 105 GLY N N 106.835 0.3 1 377 107 106 THR H H 8.271 0.020 1 378 107 106 THR C C 173.935 0.3 1 379 107 106 THR CA C 60.846 0.3 1 380 107 106 THR N N 118.910 0.3 1 381 108 107 ARG H H 7.934 0.020 1 382 108 107 ARG C C 172.691 0.3 1 383 108 107 ARG CA C 55.989 0.3 1 384 108 107 ARG CB C 28.499 0.3 1 385 108 107 ARG N N 128.141 0.3 1 386 109 108 LEU H H 8.327 0.020 1 387 109 108 LEU C C 175.258 0.3 1 388 109 108 LEU CA C 52.460 0.3 1 389 109 108 LEU CB C 44.199 0.3 1 390 109 108 LEU N N 128.129 0.3 1 391 110 109 THR H H 8.581 0.020 1 392 110 109 THR C C 171.887 0.3 1 393 110 109 THR CA C 61.931 0.3 1 394 110 109 THR CB C 69.408 0.3 1 395 110 109 THR N N 124.217 0.3 1 396 111 110 VAL H H 8.499 0.020 1 397 111 110 VAL C C 174.455 0.3 1 398 111 110 VAL CA C 59.960 0.3 1 399 111 110 VAL CB C 31.005 0.3 1 400 111 110 VAL N N 128.951 0.3 1 401 112 111 LEU H H 8.748 0.020 1 402 112 111 LEU C C 176.455 0.3 1 403 112 111 LEU CA C 52.254 0.3 1 404 112 111 LEU CB C 44.273 0.3 1 405 112 111 LEU N N 126.035 0.3 1 406 113 112 GLU H H 8.711 0.020 1 407 113 112 GLU C C 176.550 0.3 1 408 113 112 GLU CA C 57.901 0.3 1 409 113 112 GLU CB C 29.015 0.3 1 410 113 112 GLU N N 119.260 0.3 1 411 114 113 ASP H H 7.555 0.020 1 412 114 113 ASP C C 175.652 0.3 1 413 114 113 ASP CA C 52.489 0.3 1 414 114 113 ASP CB C 42.135 0.3 1 415 114 113 ASP N N 114.626 0.3 1 416 116 115 ARG H H 8.286 0.020 1 417 116 115 ARG C C 177.022 0.3 1 418 116 115 ARG CA C 57.960 0.3 1 419 116 115 ARG CB C 28.499 0.3 1 420 116 115 ARG N N 116.126 0.3 1 421 117 116 ASN H H 7.721 0.020 1 422 117 116 ASN C C 175.416 0.3 1 423 117 116 ASN CA C 53.460 0.3 1 424 117 116 ASN CB C 38.671 0.3 1 425 117 116 ASN N N 113.163 0.3 1 426 118 117 VAL H H 7.867 0.020 1 427 118 117 VAL C C 175.321 0.3 1 428 118 117 VAL CA C 64.019 0.3 1 429 118 117 VAL CB C 29.826 0.3 1 430 118 117 VAL N N 123.602 0.3 1 431 119 118 THR H H 9.417 0.020 1 432 119 118 THR C C 169.950 0.3 1 433 119 118 THR CA C 58.695 0.3 1 434 119 118 THR CB C 72.430 0.3 1 435 119 118 THR N N 123.715 0.3 1 436 122 121 LYS H H 8.537 0.020 1 437 122 121 LYS C C 176.707 0.3 1 438 122 121 LYS CA C 55.254 0.3 1 439 122 121 LYS CB C 31.447 0.3 1 440 122 121 LYS N N 119.286 0.3 1 441 123 122 VAL H H 8.648 0.020 1 442 123 122 VAL C C 174.549 0.3 1 443 123 122 VAL CA C 60.901 0.3 1 444 123 122 VAL CB C 33.143 0.3 1 445 123 122 VAL N N 126.471 0.3 1 446 124 123 SER H H 8.849 0.020 1 447 124 123 SER C C 170.013 0.3 1 448 124 123 SER CA C 56.401 0.3 1 449 124 123 SER CB C 65.575 0.3 1 450 124 123 SER N N 122.451 0.3 1 451 125 124 LEU H H 8.285 0.020 1 452 125 124 LEU C C 175.400 0.3 1 453 125 124 LEU CA C 52.607 0.3 1 454 125 124 LEU CB C 44.420 0.3 1 455 125 124 LEU N N 123.957 0.3 1 456 126 125 PHE H H 9.511 0.020 1 457 126 125 PHE CA C 55.842 0.3 1 458 126 125 PHE CB C 39.039 0.3 1 459 126 125 PHE N N 125.776 0.3 1 460 129 128 SER H H 8.664 0.020 1 461 129 128 SER C C 175.280 0.3 1 462 129 128 SER CA C 56.607 0.3 1 463 129 128 SER CB C 63.658 0.3 1 464 129 128 SER N N 118.428 0.3 1 465 130 129 LYS H H 8.770 0.020 1 466 130 129 LYS C C 179.070 0.3 1 467 130 129 LYS CA C 58.901 0.3 1 468 130 129 LYS CB C 31.005 0.3 1 469 130 129 LYS N N 125.383 0.3 1 470 131 130 ALA H H 8.203 0.020 1 471 131 130 ALA C C 179.511 0.3 1 472 131 130 ALA CA C 53.930 0.3 1 473 131 130 ALA CB C 17.295 0.3 1 474 131 130 ALA N N 121.402 0.3 1 475 132 131 GLU H H 7.447 0.020 1 476 132 131 GLU C C 179.101 0.3 1 477 132 131 GLU CA C 58.283 0.3 1 478 132 131 GLU CB C 28.720 0.3 1 479 132 131 GLU N N 119.626 0.3 1 480 133 132 ILE H H 7.573 0.020 1 481 133 132 ILE C C 178.455 0.3 1 482 133 132 ILE CA C 63.372 0.3 1 483 133 132 ILE CB C 36.975 0.3 1 484 133 132 ILE N N 119.578 0.3 1 485 134 133 ALA H H 7.889 0.020 1 486 134 133 ALA C C 178.802 0.3 1 487 134 133 ALA CA C 53.842 0.3 1 488 134 133 ALA CB C 17.442 0.3 1 489 134 133 ALA N N 122.112 0.3 1 490 135 134 ASN H H 7.993 0.020 1 491 135 134 ASN C C 176.203 0.3 1 492 135 134 ASN CA C 53.989 0.3 1 493 135 134 ASN CB C 38.450 0.3 1 494 135 134 ASN N N 113.921 0.3 1 495 136 135 LYS H H 8.206 0.020 1 496 136 135 LYS C C 176.030 0.3 1 497 136 135 LYS CA C 55.225 0.3 1 498 136 135 LYS CB C 38.376 0.3 1 499 136 135 LYS N N 115.978 0.3 1 500 139 138 ALA H H 8.613 0.020 1 501 139 138 ALA C C 174.786 0.3 1 502 139 138 ALA CA C 49.636 0.3 1 503 139 138 ALA CB C 20.833 0.3 1 504 139 138 ALA N N 122.584 0.3 1 505 140 139 THR H H 8.721 0.020 1 506 140 139 THR C C 174.124 0.3 1 507 140 139 THR CA C 61.137 0.3 1 508 140 139 THR CB C 67.639 0.3 1 509 140 139 THR N N 120.034 0.3 1 510 141 140 LEU H H 8.843 0.020 1 511 141 140 LEU C C 175.400 0.3 1 512 141 140 LEU CA C 54.548 0.3 1 513 141 140 LEU CB C 42.651 0.3 1 514 141 140 LEU N N 129.995 0.3 1 515 142 141 VAL H H 7.792 0.020 1 516 142 141 VAL C C 174.045 0.3 1 517 142 141 VAL CA C 60.372 0.3 1 518 142 141 VAL CB C 33.732 0.3 1 519 142 141 VAL N N 120.118 0.3 1 520 143 142 CYS H H 9.724 0.020 1 521 143 142 CYS C C 171.494 0.3 1 522 143 142 CYS CA C 52.342 0.3 1 523 143 142 CYS CB C 42.725 0.3 1 524 143 142 CYS N N 127.558 0.3 1 525 144 143 LEU H H 8.947 0.020 1 526 144 143 LEU C C 173.872 0.3 1 527 144 143 LEU CA C 52.989 0.3 1 528 144 143 LEU CB C 44.862 0.3 1 529 144 143 LEU N N 128.018 0.3 1 530 145 144 ALA H H 9.231 0.020 1 531 145 144 ALA C C 175.542 0.3 1 532 145 144 ALA CA C 48.607 0.3 1 533 145 144 ALA CB C 20.022 0.3 1 534 145 144 ALA N N 129.703 0.3 1 535 146 145 ARG H H 9.150 0.020 1 536 146 145 ARG C C 176.061 0.3 1 537 146 145 ARG CA C 54.754 0.3 1 538 146 145 ARG CB C 32.553 0.3 1 539 146 145 ARG N N 119.901 0.3 1 540 147 146 GLY H H 8.050 0.020 1 541 147 146 GLY C C 174.124 0.3 1 542 147 146 GLY CA C 45.842 0.3 1 543 147 146 GLY N N 110.443 0.3 1 544 148 147 PHE H H 7.330 0.020 1 545 148 147 PHE C C 174.171 0.3 1 546 148 147 PHE CA C 53.019 0.3 1 547 148 147 PHE CB C 40.882 0.3 1 548 148 147 PHE N N 112.555 0.3 1 549 149 148 PHE H H 9.203 0.020 1 550 149 148 PHE C C 174.596 0.3 1 551 149 148 PHE CA C 57.960 0.3 1 552 149 148 PHE CB C 41.840 0.3 1 553 149 148 PHE N N 120.588 0.3 1 554 151 150 ASP H H 8.124 0.020 1 555 151 150 ASP C C 175.447 0.3 1 556 151 150 ASP CA C 53.136 0.3 1 557 151 150 ASP CB C 36.091 0.3 1 558 151 150 ASP N N 115.267 0.3 1 559 152 151 HIS H H 7.540 0.020 1 560 152 151 HIS C C 173.352 0.3 1 561 152 151 HIS CA C 52.313 0.3 1 562 152 151 HIS CB C 36.091 0.3 1 563 152 151 HIS N N 122.796 0.3 1 564 153 152 VAL H H 7.300 0.020 1 565 153 152 VAL C C 175.494 0.3 1 566 153 152 VAL CA C 57.489 0.3 1 567 153 152 VAL CB C 35.206 0.3 1 568 153 152 VAL N N 113.317 0.3 1 569 154 153 GLU H H 8.158 0.020 1 570 154 153 GLU C C 174.455 0.3 1 571 154 153 GLU CA C 55.019 0.3 1 572 154 153 GLU CB C 32.332 0.3 1 573 154 153 GLU N N 119.291 0.3 1 574 155 154 LEU H H 9.202 0.020 1 575 155 154 LEU C C 175.636 0.3 1 576 155 154 LEU CA C 54.460 0.3 1 577 155 154 LEU CB C 44.420 0.3 1 578 155 154 LEU N N 130.964 0.3 1 579 156 155 SER H H 9.699 0.020 1 580 156 155 SER C C 171.383 0.3 1 581 156 155 SER CA C 56.313 0.3 1 582 156 155 SER CB C 66.091 0.3 1 583 156 155 SER N N 122.272 0.3 1 584 157 156 TRP H H 8.806 0.020 1 585 157 156 TRP C C 175.227 0.3 1 586 157 156 TRP CA C 55.930 0.3 1 587 157 156 TRP CB C 32.258 0.3 1 588 157 156 TRP N N 120.760 0.3 1 589 158 157 TRP H H 9.372 0.020 1 590 158 157 TRP C C 176.770 0.3 1 591 158 157 TRP CA C 54.813 0.3 1 592 158 157 TRP CB C 29.531 0.3 1 593 158 157 TRP N N 121.085 0.3 1 594 159 158 VAL H H 9.200 0.020 1 595 159 158 VAL C C 176.518 0.3 1 596 159 158 VAL CA C 59.872 0.3 1 597 159 158 VAL CB C 32.332 0.3 1 598 159 158 VAL N N 126.988 0.3 1 599 160 159 ASN H H 9.718 0.020 1 600 160 159 ASN C C 175.857 0.3 1 601 160 159 ASN CA C 54.195 0.3 1 602 160 159 ASN CB C 36.165 0.3 1 603 160 159 ASN N N 128.903 0.3 1 604 161 160 GLY H H 8.897 0.020 1 605 161 160 GLY C C 173.667 0.3 1 606 161 160 GLY CA C 45.018 0.3 1 607 161 160 GLY N N 102.478 0.3 1 608 162 161 LYS H H 7.727 0.020 1 609 162 161 LYS C C 174.187 0.3 1 610 162 161 LYS CA C 53.813 0.3 1 611 162 161 LYS CB C 34.027 0.3 1 612 162 161 LYS N N 121.195 0.3 1 613 163 162 GLU H H 8.064 0.020 1 614 163 162 GLU C C 176.817 0.3 1 615 163 162 GLU CA C 55.754 0.3 1 616 163 162 GLU CB C 27.393 0.3 1 617 163 162 GLU N N 127.860 0.3 1 618 164 163 VAL H H 7.978 0.020 1 619 164 163 VAL C C 173.714 0.3 1 620 164 163 VAL CA C 59.754 0.3 1 621 164 163 VAL CB C 33.732 0.3 1 622 164 163 VAL N N 122.849 0.3 1 623 166 165 SER H H 8.231 0.020 1 624 166 165 SER C C 176.318 0.3 1 625 166 165 SER CA C 56.372 0.3 1 626 166 165 SER N N 120.505 0.3 1 627 167 166 GLY H H 8.139 0.020 1 628 167 166 GLY CA C 44.665 0.3 1 629 167 166 GLY N N 108.152 0.3 1 630 168 167 VAL H H 7.189 0.020 1 631 168 167 VAL C C 176.849 0.3 1 632 168 167 VAL CA C 60.989 0.3 1 633 168 167 VAL CB C 32.553 0.3 1 634 168 167 VAL N N 121.216 0.3 1 635 169 168 SER H H 9.049 0.020 1 636 169 168 SER C C 173.305 0.3 1 637 169 168 SER CA C 55.982 0.3 1 638 169 168 SER CB C 63.374 0.3 1 639 169 168 SER N N 123.628 0.3 1 640 170 169 THR H H 9.193 0.020 1 641 170 169 THR C C 173.588 0.3 1 642 170 169 THR CA C 60.578 0.3 1 643 170 169 THR CB C 69.260 0.3 1 644 170 169 THR N N 127.679 0.3 1 645 171 170 ASP H H 8.478 0.020 1 646 171 170 ASP C C 174.423 0.3 1 647 171 170 ASP CA C 53.430 0.3 1 648 171 170 ASP CB C 39.555 0.3 1 649 171 170 ASP N N 130.302 0.3 1 650 173 172 GLN H H 7.241 0.020 1 651 173 172 GLN C C 174.077 0.3 1 652 173 172 GLN CA C 53.371 0.3 1 653 173 172 GLN CB C 31.005 0.3 1 654 173 172 GLN N N 112.874 0.3 1 655 174 173 ALA H H 8.920 0.020 1 656 174 173 ALA C C 176.534 0.3 1 657 174 173 ALA CA C 51.666 0.3 1 658 174 173 ALA CB C 18.622 0.3 1 659 174 173 ALA N N 125.250 0.3 1 660 175 174 TYR H H 9.295 0.020 1 661 175 174 TYR C C 174.644 0.3 1 662 175 174 TYR CA C 55.960 0.3 1 663 175 174 TYR CB C 39.334 0.3 1 664 175 174 TYR N N 124.212 0.3 1 665 176 175 LYS H H 8.341 0.020 1 666 176 175 LYS C C 175.290 0.3 1 667 176 175 LYS CA C 55.901 0.3 1 668 176 175 LYS CB C 30.710 0.3 1 669 176 175 LYS N N 127.191 0.3 1 670 177 176 GLU H H 8.262 0.020 1 671 177 176 GLU C C 176.361 0.3 1 672 177 176 GLU CA C 56.901 0.3 1 673 177 176 GLU CB C 29.899 0.3 1 674 177 176 GLU N N 128.160 0.3 1 675 178 177 SER H H 7.957 0.020 1 676 178 177 SER C C 173.683 0.3 1 677 178 177 SER CA C 56.607 0.3 1 678 178 177 SER CB C 62.700 0.3 1 679 178 177 SER N N 112.261 0.3 1 680 180 179 TYR H H 7.701 0.020 1 681 180 179 TYR C C 173.856 0.3 1 682 180 179 TYR CA C 54.342 0.3 1 683 180 179 TYR CB C 36.975 0.3 1 684 180 179 TYR N N 113.057 0.3 1 685 181 180 SER H H 6.682 0.020 1 686 181 180 SER C C 172.234 0.3 1 687 181 180 SER CA C 58.136 0.3 1 688 181 180 SER CB C 63.953 0.3 1 689 181 180 SER N N 111.842 0.3 1 690 182 181 TYR H H 8.603 0.020 1 691 182 181 TYR C C 174.014 0.3 1 692 182 181 TYR CA C 56.548 0.3 1 693 182 181 TYR CB C 42.135 0.3 1 694 182 181 TYR N N 125.929 0.3 1 695 183 182 SER H H 8.966 0.020 1 696 183 182 SER C C 172.691 0.3 1 697 183 182 SER CA C 56.313 0.3 1 698 183 182 SER CB C 66.459 0.3 1 699 183 182 SER N N 111.181 0.3 1 700 184 183 LEU H H 9.407 0.020 1 701 184 183 LEU C C 173.604 0.3 1 702 184 183 LEU CA C 55.372 0.3 1 703 184 183 LEU CB C 46.779 0.3 1 704 184 183 LEU N N 123.667 0.3 1 705 185 184 SER H H 8.487 0.020 1 706 185 184 SER C C 172.549 0.3 1 707 185 184 SER CA C 55.960 0.3 1 708 185 184 SER CB C 67.491 0.3 1 709 185 184 SER N N 121.089 0.3 1 710 186 185 SER H H 8.851 0.020 1 711 186 185 SER C C 172.556 0.3 1 712 186 185 SER CA C 56.077 0.3 1 713 186 185 SER CB C 63.953 0.3 1 714 186 185 SER N N 113.272 0.3 1 715 187 186 ARG H H 8.618 0.020 1 716 187 186 ARG C C 173.384 0.3 1 717 187 186 ARG CA C 54.048 0.3 1 718 187 186 ARG CB C 31.963 0.3 1 719 187 186 ARG N N 127.631 0.3 1 720 188 187 LEU H H 8.187 0.020 1 721 188 187 LEU C C 173.525 0.3 1 722 188 187 LEU CA C 52.401 0.3 1 723 188 187 LEU CB C 39.924 0.3 1 724 188 187 LEU N N 124.010 0.3 1 725 189 188 ARG H H 8.239 0.020 1 726 189 188 ARG C C 175.794 0.3 1 727 189 188 ARG CA C 53.989 0.3 1 728 189 188 ARG CB C 30.563 0.3 1 729 189 188 ARG N N 127.503 0.3 1 730 190 189 VAL H H 8.687 0.020 1 731 190 189 VAL C C 174.628 0.3 1 732 190 189 VAL CA C 57.754 0.3 1 733 190 189 VAL CB C 34.912 0.3 1 734 190 189 VAL N N 119.329 0.3 1 735 191 190 SER H H 8.651 0.020 1 736 191 190 SER C C 175.542 0.3 1 737 191 190 SER CA C 57.931 0.3 1 738 191 190 SER CB C 63.069 0.3 1 739 191 190 SER N N 116.569 0.3 1 740 192 191 ALA H H 8.262 0.020 1 741 192 191 ALA C C 178.503 0.3 1 742 192 191 ALA CA C 55.372 0.3 1 743 192 191 ALA CB C 16.926 0.3 1 744 192 191 ALA N N 126.359 0.3 1 745 193 192 THR H H 7.955 0.020 1 746 193 192 THR C C 175.573 0.3 1 747 193 192 THR CA C 64.578 0.3 1 748 193 192 THR CB C 68.155 0.3 1 749 193 192 THR N N 108.640 0.3 1 750 194 193 PHE H H 7.653 0.020 1 751 194 193 PHE C C 178.235 0.3 1 752 194 193 PHE CA C 60.725 0.3 1 753 194 193 PHE CB C 39.850 0.3 1 754 194 193 PHE N N 124.784 0.3 1 755 195 194 TRP H H 7.745 0.020 1 756 195 194 TRP C C 173.935 0.3 1 757 195 194 TRP CA C 58.313 0.3 1 758 195 194 TRP CB C 29.236 0.3 1 759 195 194 TRP N N 119.323 0.3 1 760 196 195 HIS H H 7.555 0.020 1 761 196 195 HIS C C 174.108 0.3 1 762 196 195 HIS CA C 53.783 0.3 1 763 196 195 HIS CB C 27.688 0.3 1 764 196 195 HIS N N 111.695 0.3 1 765 197 196 ASN H H 6.871 0.020 1 766 197 196 ASN C C 174.203 0.3 1 767 197 196 ASN CA C 49.048 0.3 1 768 197 196 ASN CB C 38.155 0.3 1 769 197 196 ASN N N 118.463 0.3 1 770 199 198 ARG H H 7.609 0.020 1 771 199 198 ARG C C 176.928 0.3 1 772 199 198 ARG CA C 55.401 0.3 1 773 199 198 ARG CB C 28.720 0.3 1 774 199 198 ARG N N 115.157 0.3 1 775 200 199 ASN H H 7.650 0.020 1 776 200 199 ASN C C 172.076 0.3 1 777 200 199 ASN CA C 51.901 0.3 1 778 200 199 ASN CB C 37.786 0.3 1 779 200 199 ASN N N 118.078 0.3 1 780 201 200 HIS H H 8.190 0.020 1 781 201 200 HIS C C 173.037 0.3 1 782 201 200 HIS CA C 55.048 0.3 1 783 201 200 HIS CB C 33.880 0.3 1 784 201 200 HIS N N 122.637 0.3 1 785 202 201 PHE H H 8.437 0.020 1 786 202 201 PHE C C 173.620 0.3 1 787 202 201 PHE CA C 55.754 0.3 1 788 202 201 PHE CB C 41.251 0.3 1 789 202 201 PHE N N 124.535 0.3 1 790 203 202 ARG H H 9.138 0.020 1 791 203 202 ARG C C 173.415 0.3 1 792 203 202 ARG CA C 54.195 0.3 1 793 203 202 ARG CB C 34.322 0.3 1 794 203 202 ARG N N 121.624 0.3 1 795 204 203 CYS H H 8.801 0.020 1 796 204 203 CYS C C 171.572 0.3 1 797 204 203 CYS CA C 51.901 0.3 1 798 204 203 CYS CB C 42.430 0.3 1 799 204 203 CYS N N 127.413 0.3 1 800 205 204 GLN H H 9.216 0.020 1 801 205 204 GLN C C 173.510 0.3 1 802 205 204 GLN CA C 53.695 0.3 1 803 205 204 GLN CB C 32.111 0.3 1 804 205 204 GLN N N 127.812 0.3 1 805 206 205 VAL H H 9.120 0.020 1 806 206 205 VAL C C 174.313 0.3 1 807 206 205 VAL CA C 60.136 0.3 1 808 206 205 VAL CB C 31.595 0.3 1 809 206 205 VAL N N 127.449 0.3 1 810 207 206 GLN H H 8.848 0.020 1 811 207 206 GLN C C 173.557 0.3 1 812 207 206 GLN CA C 54.430 0.3 1 813 207 206 GLN CB C 29.089 0.3 1 814 207 206 GLN N N 128.569 0.3 1 815 208 207 PHE H H 8.796 0.020 1 816 208 207 PHE C C 172.596 0.3 1 817 208 207 PHE CA C 55.019 0.3 1 818 208 207 PHE CB C 40.808 0.3 1 819 208 207 PHE N N 128.129 0.3 1 820 209 208 HIS H H 7.712 0.020 1 821 209 208 HIS C C 174.045 0.3 1 822 209 208 HIS CA C 55.136 0.3 1 823 209 208 HIS CB C 29.015 0.3 1 824 209 208 HIS N N 127.578 0.3 1 825 210 209 GLY H H 7.693 0.020 1 826 210 209 GLY C C 173.604 0.3 1 827 210 209 GLY CA C 42.812 0.3 1 828 210 209 GLY N N 112.177 0.3 1 829 211 210 LEU H H 8.261 0.020 1 830 211 210 LEU C C 175.841 0.3 1 831 211 210 LEU CA C 53.989 0.3 1 832 211 210 LEU CB C 41.103 0.3 1 833 211 210 LEU N N 123.543 0.3 1 834 212 211 SER H H 9.312 0.020 1 835 212 211 SER C C 175.983 0.3 1 836 212 211 SER CA C 56.489 0.3 1 837 212 211 SER CB C 64.911 0.3 1 838 212 211 SER N N 116.648 0.3 1 839 213 212 GLU H H 8.156 0.020 1 840 213 212 GLU CA C 59.225 0.3 1 841 213 212 GLU N N 121.592 0.3 1 842 214 213 GLU H H 8.398 0.020 1 843 214 213 GLU C C 176.943 0.3 1 844 214 213 GLU CA C 56.695 0.3 1 845 214 213 GLU CB C 28.499 0.3 1 846 214 213 GLU N N 115.352 0.3 1 847 215 214 ASP H H 7.221 0.020 1 848 215 214 ASP C C 175.510 0.3 1 849 215 214 ASP CA C 54.636 0.3 1 850 215 214 ASP CB C 41.472 0.3 1 851 215 214 ASP N N 120.723 0.3 1 852 216 215 LYS H H 8.437 0.020 1 853 216 215 LYS C C 175.636 0.3 1 854 216 215 LYS CA C 55.666 0.3 1 855 216 215 LYS CB C 31.668 0.3 1 856 216 215 LYS N N 123.405 0.3 1 857 217 216 TRP H H 8.243 0.020 1 858 217 216 TRP C C 173.620 0.3 1 859 217 216 TRP CA C 53.136 0.3 1 860 217 216 TRP CB C 32.405 0.3 1 861 217 216 TRP N N 123.920 0.3 1 862 220 219 GLY H H 8.603 0.020 1 863 220 219 GLY CA C 44.930 0.3 1 864 220 219 GLY N N 109.836 0.3 1 865 221 220 SER H H 7.643 0.020 1 866 221 220 SER C C 172.218 0.3 1 867 221 220 SER CA C 55.548 0.3 1 868 221 220 SER CB C 62.921 0.3 1 869 221 220 SER N N 115.719 0.3 1 870 225 224 VAL H H 7.562 0.020 1 871 225 224 VAL C C 175.589 0.3 1 872 225 224 VAL CA C 59.813 0.3 1 873 225 224 VAL CB C 32.258 0.3 1 874 225 224 VAL N N 117.722 0.3 1 875 226 225 THR H H 7.670 0.020 1 876 226 225 THR C C 174.549 0.3 1 877 226 225 THR CA C 62.990 0.3 1 878 226 225 THR CB C 68.818 0.3 1 879 226 225 THR N N 117.987 0.3 1 880 227 226 GLN H H 8.775 0.020 1 881 227 226 GLN C C 172.092 0.3 1 882 227 226 GLN CA C 54.283 0.3 1 883 227 226 GLN CB C 31.374 0.3 1 884 227 226 GLN N N 122.525 0.3 1 885 228 227 ASN H H 8.555 0.020 1 886 228 227 ASN C C 174.581 0.3 1 887 228 227 ASN CA C 51.136 0.3 1 888 228 227 ASN CB C 39.260 0.3 1 889 228 227 ASN N N 119.710 0.3 1 890 229 228 ILE H H 8.926 0.020 1 891 229 228 ILE C C 174.612 0.3 1 892 229 228 ILE CA C 59.842 0.3 1 893 229 228 ILE CB C 39.334 0.3 1 894 229 228 ILE N N 126.613 0.3 1 895 230 229 SER H H 8.482 0.020 1 896 230 229 SER C C 172.958 0.3 1 897 230 229 SER CA C 56.578 0.3 1 898 230 229 SER CB C 66.459 0.3 1 899 230 229 SER N N 120.558 0.3 1 900 231 230 ALA H H 8.508 0.020 1 901 231 230 ALA C C 175.101 0.3 1 902 231 230 ALA CA C 50.695 0.3 1 903 231 230 ALA CB C 22.307 0.3 1 904 231 230 ALA N N 123.872 0.3 1 905 232 231 GLU H H 8.661 0.020 1 906 232 231 GLU C C 174.486 0.3 1 907 232 231 GLU CA C 53.607 0.3 1 908 232 231 GLU CB C 33.806 0.3 1 909 232 231 GLU N N 118.387 0.3 1 910 233 232 ALA H H 8.926 0.020 1 911 233 232 ALA C C 174.817 0.3 1 912 233 232 ALA CA C 51.489 0.3 1 913 233 232 ALA CB C 21.718 0.3 1 914 233 232 ALA N N 121.841 0.3 1 915 234 233 TRP H H 8.443 0.020 1 916 234 233 TRP C C 176.235 0.3 1 917 234 233 TRP CA C 56.048 0.3 1 918 234 233 TRP CB C 31.079 0.3 1 919 234 233 TRP N N 121.481 0.3 1 920 235 234 GLY H H 8.511 0.020 1 921 235 234 GLY C C 171.982 0.3 1 922 235 234 GLY CA C 45.018 0.3 1 923 235 234 GLY N N 105.284 0.3 1 924 236 235 ARG H H 6.084 0.020 1 925 236 235 ARG C C 174.644 0.3 1 926 236 235 ARG CA C 53.876 0.3 1 927 236 235 ARG CB C 31.521 0.3 1 928 236 235 ARG N N 116.250 0.3 1 929 237 236 ALA H H 8.473 0.020 1 930 237 236 ALA C C 176.534 0.3 1 931 237 236 ALA CA C 52.018 0.3 1 932 237 236 ALA CB C 18.253 0.3 1 933 237 236 ALA N N 126.385 0.3 1 934 238 237 ASP H H 7.703 0.020 1 935 238 237 ASP C C 180.456 0.3 1 936 238 237 ASP CA C 54.695 0.3 1 937 238 237 ASP CB C 41.324 0.3 1 938 238 237 ASP N N 124.202 0.3 1 stop_ save_