data_7292 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of internal interaction site of ALP ; _BMRB_accession_number 7292 _BMRB_flat_file_name bmr7292.str _Entry_type new _Submission_date 2006-09-08 _Accession_date 2006-09-08 _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 Alho Nanna . . 2 Klaavuniemi Tuula . . 3 Ylanne Jari . . 4 Permi Perttu . . 5 Mattila Sampo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 147 "13C chemical shifts" 484 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-08-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone NMR assignment of the internal interaction site of ALP' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636834 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alho Nanna . . 2 Klaavuniemi Tuula . . 3 Ylanne Jari . . 4 Permi Perttu . . 5 Mattila Sampo . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 85 _Page_last 87 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'internal interaction site of ALP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ALP $ALP stop_ _System_molecular_weight 18265 _System_physical_state 'partially unfolded' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ALP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; GAMGSEPQDGNYFEHKHNIR PKPFVIPGRSSGCSTPSGID CGSGRSTPSSVSTVSTICPG DLKVAAKLAPNIPLEMELPG VKIVHAQFNTPMQLYSDDNI METLQGQVSTALGETPLMSE PTASVPPESDVYRMLHDNRN EPTQPRQSGSFRVLQGMVDD GSDDRPAGTRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 103 GLY 2 104 ALA 3 105 MET 4 106 GLY 5 107 SER 6 108 GLU 7 109 PRO 8 110 GLN 9 111 ASP 10 112 GLY 11 113 ASN 12 114 TYR 13 115 PHE 14 116 GLU 15 117 HIS 16 118 LYS 17 119 HIS 18 120 ASN 19 121 ILE 20 122 ARG 21 123 PRO 22 124 LYS 23 125 PRO 24 126 PHE 25 127 VAL 26 128 ILE 27 129 PRO 28 130 GLY 29 131 ARG 30 132 SER 31 133 SER 32 134 GLY 33 135 CYS 34 136 SER 35 137 THR 36 138 PRO 37 139 SER 38 140 GLY 39 141 ILE 40 142 ASP 41 143 CYS 42 144 GLY 43 145 SER 44 146 GLY 45 147 ARG 46 148 SER 47 149 THR 48 150 PRO 49 151 SER 50 152 SER 51 153 VAL 52 154 SER 53 155 THR 54 156 VAL 55 157 SER 56 158 THR 57 159 ILE 58 160 CYS 59 161 PRO 60 162 GLY 61 163 ASP 62 164 LEU 63 165 LYS 64 166 VAL 65 167 ALA 66 168 ALA 67 169 LYS 68 170 LEU 69 171 ALA 70 172 PRO 71 173 ASN 72 174 ILE 73 175 PRO 74 176 LEU 75 177 GLU 76 178 MET 77 179 GLU 78 180 LEU 79 181 PRO 80 182 GLY 81 183 VAL 82 184 LYS 83 185 ILE 84 186 VAL 85 187 HIS 86 188 ALA 87 189 GLN 88 190 PHE 89 191 ASN 90 192 THR 91 193 PRO 92 194 MET 93 195 GLN 94 196 LEU 95 197 TYR 96 198 SER 97 199 ASP 98 200 ASP 99 201 ASN 100 202 ILE 101 203 MET 102 204 GLU 103 205 THR 104 206 LEU 105 207 GLN 106 208 GLY 107 209 GLN 108 210 VAL 109 211 SER 110 212 THR 111 213 ALA 112 214 LEU 113 215 GLY 114 216 GLU 115 217 THR 116 218 PRO 117 219 LEU 118 220 MET 119 221 SER 120 222 GLU 121 223 PRO 122 224 THR 123 225 ALA 124 226 SER 125 227 VAL 126 228 PRO 127 229 PRO 128 230 GLU 129 231 SER 130 232 ASP 131 233 VAL 132 234 TYR 133 235 ARG 134 236 MET 135 237 LEU 136 238 HIS 137 239 ASP 138 240 ASN 139 241 ARG 140 242 ASN 141 243 GLU 142 244 PRO 143 245 THR 144 246 GLN 145 247 PRO 146 248 ARG 147 249 GLN 148 250 SER 149 251 GLY 150 252 SER 151 253 PHE 152 254 ARG 153 255 VAL 154 256 LEU 155 257 GLN 156 258 GLY 157 259 MET 158 260 VAL 159 261 ASP 160 262 ASP 161 263 GLY 162 264 SER 163 265 ASP 164 266 ASP 165 267 ARG 166 268 PRO 167 269 ALA 168 270 GLY 169 271 THR 170 272 ARG 171 273 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BAD96686 "PDZ and LIM domain 3 variant [Homo sapiens]" 98.83 364 98.82 99.41 3.90e-115 DBJ BAG36063 "unnamed protein product [Homo sapiens]" 98.83 364 98.82 99.41 3.90e-115 GB AAB96665 "actinin-associated LIM protein [Homo sapiens]" 98.83 364 98.22 99.41 1.26e-114 GB AAC16670 "alpha-actinin-2 associated LIM protein [Homo sapiens]" 98.83 364 98.22 98.82 1.95e-114 GB EAX04641 "PDZ and LIM domain 3, isoform CRA_d [Homo sapiens]" 98.83 364 98.82 99.41 3.90e-115 GB EHH26344 "hypothetical protein EGK_16292 [Macaca mulatta]" 98.83 364 97.63 98.82 7.53e-114 GB EHH54109 "hypothetical protein EGM_14870, partial [Macaca fascicularis]" 98.83 332 97.63 98.82 1.03e-114 REF NP_055291 "PDZ and LIM domain protein 3 isoform a [Homo sapiens]" 98.83 364 98.82 99.41 3.90e-115 REF XP_002815395 "PREDICTED: LOW QUALITY PROTEIN: PDZ and LIM domain protein 3 [Pongo abelii]" 98.83 364 97.63 98.82 1.02e-113 REF XP_003823529 "PREDICTED: PDZ and LIM domain protein 3 isoform X1 [Pan paniscus]" 98.83 364 98.82 99.41 4.75e-115 REF XP_003899472 "PREDICTED: PDZ and LIM domain protein 3 isoform X1 [Papio anubis]" 98.83 364 97.63 98.82 8.39e-114 REF XP_004040756 "PREDICTED: PDZ and LIM domain protein 3 isoform 2 [Gorilla gorilla gorilla]" 98.83 364 98.82 99.41 3.90e-115 SP Q53GG5 "RecName: Full=PDZ and LIM domain protein 3; AltName: Full=Actinin-associated LIM protein; AltName: Full=Alpha-actinin-2-associa" 98.83 364 98.82 99.41 3.90e-115 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ALP 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 $ALP 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ALP_asp _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ALP 15 mM '[U-13C; U-15N]' 'amino acid aspartic acid' 40 mM . 'buffer TRIS' 20 mM . 'buffer NaCl' 150 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Innova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $ALP_asp save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $ALP_asp save_ save_HNCOCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $ALP_asp save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $ALP_asp save_ save_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $ALP_asp save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $ALP_asp save_ save_CBCACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $ALP_asp save_ save_iHNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name iHNCA _Sample_label $ALP_asp save_ save_15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCOCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACO _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_iHNCA _Saveframe_category NMR_applied_experiment _Experiment_name iHNCA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4 0.2 pH temperature 300 0.01 K 'ionic strength' 150 5 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 H 1 protons ppm 4.70 internal direct . . . 1.0 water C 13 protons ppm . internal indirect . . . 0.251449530 water N 15 protons ppm . internal 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_alp_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $ALP_asp stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name ALP _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 1 104 2 ALA C C 176.3 0.008 1 2 104 2 ALA CA C 52.17 0.0005 1 3 104 2 ALA CB C 18.92 0.055 1 4 105 3 MET H H 8.45 0.0007 1 5 105 3 MET C C 175.2 0.0073 1 6 105 3 MET CA C 55.25 0.0447 1 7 105 3 MET CB C 32.25 0.0305 1 8 105 3 MET N N 119 0.006 1 9 106 4 GLY H H 8.344 0.0003 1 10 106 4 GLY C C 172.4 0.0051 1 11 106 4 GLY CA C 44.9 0.0243 1 12 106 4 GLY N N 109.8 0.0054 1 13 107 5 SER H H 8.047 0.0009 1 14 107 5 SER C C 172.6 0.0034 1 15 107 5 SER CA C 57.69 0.0241 1 16 107 5 SER CB C 63.57 0.0161 1 17 107 5 SER N N 114.5 0.0185 1 18 108 6 GLU H H 8.333 0 1 19 108 6 GLU C C 173 0 1 20 108 6 GLU CA C 54.15 0 1 21 108 6 GLU CB C 29.02 0 1 22 108 6 GLU N N 122.7 0.0063 1 23 109 7 PRO C C 175.5 0.006 1 24 109 7 PRO CA C 62.88 0.033 1 25 109 7 PRO CB C 31.61 0.032 1 26 110 8 GLN H H 8.4 0.0007 1 27 110 8 GLN C C 174.1 0.005 1 28 110 8 GLN CA C 55.25 0.047 1 29 110 8 GLN CB C 28.99 0.0164 1 30 110 8 GLN N N 119.5 0.0078 1 31 111 9 ASP H H 8.15 0.0028 1 32 111 9 ASP C C 175.1 0.0036 1 33 111 9 ASP CA C 53.88 0.0135 1 34 111 9 ASP CB C 40.92 0.0375 1 35 111 9 ASP N N 120.1 0.0197 1 36 112 10 GLY H H 8.166 0.0005 1 37 112 10 GLY C C 172.4 0.0052 1 38 112 10 GLY CA C 45.15 0.0599 1 39 112 10 GLY N N 107.9 0.0074 1 40 113 11 ASN H H 8.117 0.0003 1 41 113 11 ASN C C 173.4 0.0024 1 42 113 11 ASN CA C 52.7 0.0577 1 43 113 11 ASN CB C 38.35 0.0556 1 44 113 11 ASN N N 117.5 0.0058 1 45 114 12 TYR H H 7.891 0.0008 1 46 114 12 TYR C C 174 0.0054 1 47 114 12 TYR CA C 58.19 0.0176 1 48 114 12 TYR CB C 38.24 0.0015 1 49 114 12 TYR N N 119.7 0.016 1 50 115 13 PHE H H 7.845 0.0012 1 51 115 13 PHE C C 173.9 0.0041 1 52 115 13 PHE CA C 57.49 0.0281 1 53 115 13 PHE CB C 39.15 0.0154 1 54 115 13 PHE N N 119.7 0.0093 1 55 116 14 GLU H H 7.969 0.0015 1 56 116 14 GLU C C 174.5 0.009 1 57 116 14 GLU CA C 56.36 0.0175 1 58 116 14 GLU CB C 29.78 0.0614 1 59 116 14 GLU N N 120.7 0.0168 1 60 117 15 HIS H H 8.068 0.0017 1 61 117 15 HIS C C 173.7 0.0005 1 62 117 15 HIS CA C 55.67 0.0615 1 63 117 15 HIS CB C 29.65 0.0415 1 64 117 15 HIS N N 118.9 0.0109 1 65 118 16 LYS H H 8.044 0.0018 1 66 118 16 LYS C C 174.7 0 1 67 118 16 LYS CA C 56.12 0 1 68 118 16 LYS CB C 32.42 0 1 69 118 16 LYS N N 120.6 0.0167 1 70 120 18 ASN C C 173.1 0.0035 1 71 120 18 ASN CA C 52.8 0.028 1 72 120 18 ASN CB C 38.29 0.039 1 73 121 19 ILE H H 7.921 0.0016 1 74 121 19 ILE C C 174.3 0.0069 1 75 121 19 ILE CA C 60.51 0.0503 1 76 121 19 ILE CB C 38.17 0.0355 1 77 121 19 ILE N N 119.9 0.0181 1 78 122 20 ARG H H 8.222 0.002 1 79 122 20 ARG C C 172.4 0 1 80 122 20 ARG CA C 53.34 0 1 81 122 20 ARG CB C 29.86 0 1 82 122 20 ARG N N 125.5 0.0132 1 83 123 21 PRO C C 174.9 0 1 84 123 21 PRO CA C 62.41 0.066 1 85 123 21 PRO CB C 31.84 0.124 1 86 124 22 LYS H H 8.204 0.0006 1 87 124 22 LYS C C 173 0 1 88 124 22 LYS CA C 53.77 0 1 89 124 22 LYS N N 121.8 0.0121 1 90 125 23 PRO C C 174.7 0.006 1 91 125 23 PRO CA C 62.64 0.044 1 92 125 23 PRO CB C 31.58 0.0295 1 93 126 24 PHE H H 8.057 0.0012 1 94 126 24 PHE C C 173.6 0.007 1 95 126 24 PHE CA C 57.09 0.0621 1 96 126 24 PHE CB C 39.22 0.0106 1 97 126 24 PHE N N 119.6 0.0106 1 98 127 25 VAL H H 7.795 0.0005 1 99 127 25 VAL C C 173.5 0.0033 1 100 127 25 VAL CA C 61.21 0.0229 1 101 127 25 VAL CB C 32.85 0.0097 1 102 127 25 VAL N N 122.5 0.0052 1 103 128 26 ILE H H 8.116 0.0008 1 104 128 26 ILE C C 172.9 0 1 105 128 26 ILE CA C 58.12 0 1 106 128 26 ILE CB C 38.26 0 1 107 128 26 ILE N N 126.2 0.0111 1 108 129 27 PRO C C 175.8 0.0055 1 109 129 27 PRO CA C 62.93 0.015 1 110 129 27 PRO CB C 31.74 0.034 1 111 130 28 GLY H H 8.275 0.0022 1 112 130 28 GLY C C 172.6 0.0114 1 113 130 28 GLY CA C 44.77 0.048 1 114 130 28 GLY N N 108.3 0.0067 1 115 131 29 ARG H H 8.029 0.0024 1 116 131 29 ARG C C 174.9 0.0065 1 117 131 29 ARG CA C 55.51 0.091 1 118 131 29 ARG CB C 30.53 0.0557 1 119 131 29 ARG N N 119.5 0.003 1 120 132 30 SER H H 8.322 0.0018 1 121 132 30 SER C C 173.1 0.007 1 122 132 30 SER CA C 57.89 0.0901 1 123 132 30 SER CB C 63.45 0.018 1 124 132 30 SER N N 116.3 0.0158 1 125 133 31 SER H H 8.263 0.0013 1 126 133 31 SER C C 173.4 0 1 127 133 31 SER CA C 58.22 0 1 128 133 31 SER CB C 63.48 0.0134 1 129 133 31 SER N N 116.8 0.003 1 130 134 32 GLY H H 8.318 0.0026 1 131 134 32 GLY C C 172.2 0.0053 1 132 134 32 GLY CA C 44.91 0.0364 1 133 134 32 GLY N N 109.5 0.0235 1 134 135 33 CYS H H 8.189 0.0055 1 135 135 33 CYS C C 173.2 0 1 136 135 33 CYS CA C 55.37 0 1 137 135 33 CYS CB C 29.92 0 1 138 135 33 CYS N N 118.3 0.0293 1 139 136 34 SER C C 172.7 0 1 140 136 34 SER CA C 58.51 0 1 141 136 34 SER CB C 63.27 0.0165 1 142 137 35 THR H H 7.757 0.0012 1 143 137 35 THR C C 172.2 0 1 144 137 35 THR CA C 59.02 0 1 145 137 35 THR CB C 68.89 0 1 146 137 35 THR N N 113.9 0.0086 1 147 139 37 SER C C 173.7 0 1 148 139 37 SER CA C 58.26 0.0125 1 149 139 37 SER CB C 63.42 0.026 1 150 140 38 GLY H H 8.371 0.0043 1 151 140 38 GLY C C 172.5 0.0078 1 152 140 38 GLY CA C 45.03 0.0263 1 153 140 38 GLY N N 109.9 0.0248 1 154 141 39 ILE H H 7.786 0.0005 1 155 141 39 ILE C C 174.3 0.008 1 156 141 39 ILE CA C 60.68 0.0305 1 157 141 39 ILE CB C 38.5 0.0045 1 158 141 39 ILE N N 118.5 0.0071 1 159 142 40 ASP H H 8.303 0.002 1 160 142 40 ASP C C 174.7 0.0035 1 161 142 40 ASP CA C 53.83 0.0645 1 162 142 40 ASP CB C 40.79 0.0173 1 163 142 40 ASP N N 123.1 0.0283 1 164 143 41 CYS H H 8.239 0.0018 1 165 143 41 CYS C C 173.7 0.002 1 166 143 41 CYS CA C 58.28 0.0385 1 167 143 41 CYS CB C 27.58 0.0401 1 168 143 41 CYS N N 119.3 0.0146 1 169 144 42 GLY H H 8.423 0.0009 1 170 144 42 GLY C C 172.9 0.0108 1 171 144 42 GLY CA C 45.13 0.0187 1 172 144 42 GLY N N 110 0.0091 1 173 145 43 SER H H 8.128 0.003 1 174 145 43 SER C C 173.5 0 1 175 145 43 SER CA C 58.11 0.077 1 176 145 43 SER CB C 63.47 0.0313 1 177 145 43 SER N N 114.8 0.0092 1 178 146 44 GLY H H 8.232 0.0005 1 179 146 44 GLY C C 172.5 0.0094 1 180 146 44 GLY CA C 44.98 0.0424 1 181 146 44 GLY N N 109.8 0.004 1 182 147 45 ARG H H 7.969 0.0005 1 183 147 45 ARG C C 174.7 0.0066 1 184 147 45 ARG CA C 55.46 0.0455 1 185 147 45 ARG CB C 30.61 0.029 1 186 147 45 ARG N N 119.2 0.0029 1 187 148 46 SER H H 8.256 0.001 1 188 148 46 SER C C 172.6 0.0029 1 189 148 46 SER CA C 57.7 0.0047 1 190 148 46 SER CB C 63.45 0.0043 1 191 148 46 SER N N 116.1 0.0147 1 192 149 47 THR H H 8.066 0.0011 1 193 149 47 THR C C 171.3 0 1 194 149 47 THR CA C 59.25 0 1 195 149 47 THR CB C 69.31 0 1 196 149 47 THR N N 117.1 0.0068 1 197 150 48 PRO C C 175.4 0.009 1 198 150 48 PRO CA C 62.86 0.136 1 199 150 48 PRO CB C 31.69 0.0165 1 200 151 49 SER H H 8.291 0.002 1 201 151 49 SER C C 173.1 0.0045 1 202 151 49 SER CA C 57.95 0.0506 1 203 151 49 SER CB C 63.43 0.0275 1 204 151 49 SER N N 115 0.0163 1 205 152 50 SER H H 8.18 0.0014 1 206 152 50 SER C C 172.9 0.0048 1 207 152 50 SER CA C 57.85 0.0239 1 208 152 50 SER CB C 63.38 0.0025 1 209 152 50 SER N N 116.8 0.0148 1 210 153 51 VAL H H 7.947 0.0005 1 211 153 51 VAL C C 174.6 0.0054 1 212 153 51 VAL CA C 61.71 0.0045 1 213 153 51 VAL CB C 32.39 0.0024 1 214 153 51 VAL N N 120 0.0048 1 215 154 52 SER H H 8.223 0.0008 1 216 154 52 SER C C 173.2 0.0033 1 217 154 52 SER CA C 57.7 0.011 1 218 154 52 SER CB C 63.38 0.0284 1 219 154 52 SER N N 118.2 0.0172 1 220 155 53 THR H H 8.079 0.0007 1 221 155 53 THR C C 172.9 0.0029 1 222 155 53 THR CA C 61.31 0.0062 1 223 155 53 THR CB C 69.27 0.0026 1 224 155 53 THR N N 115.5 0.0119 1 225 156 54 VAL H H 7.968 0.0007 1 226 156 54 VAL C C 174.5 0.0057 1 227 156 54 VAL CA C 61.81 0.0587 1 228 156 54 VAL CB C 32.41 0.0097 1 229 156 54 VAL N N 121 0.0083 1 230 157 55 SER H H 8.266 0.0009 1 231 157 55 SER C C 173 0.0033 1 232 157 55 SER CA C 57.73 0.009 1 233 157 55 SER CB C 63.53 0.0712 1 234 157 55 SER N N 118.6 0.0224 1 235 158 56 THR H H 8.048 0.0045 1 236 158 56 THR C C 172.7 0.0028 1 237 158 56 THR CA C 61.26 0.0215 1 238 158 56 THR CB C 69.25 0.0057 1 239 158 56 THR N N 115.6 0.0082 1 240 159 57 ILE H H 7.971 0.0005 1 241 159 57 ILE C C 174.2 0.0054 1 242 159 57 ILE CA C 60.55 0.0411 1 243 159 57 ILE CB C 38.33 0.0065 1 244 159 57 ILE N N 122.1 0.0211 1 245 160 58 CYS H H 8.451 0.0004 1 246 160 58 CYS C C 171.4 0 1 247 160 58 CYS CA C 55.91 0 1 248 160 58 CYS CB C 27.14 0 1 249 160 58 CYS N N 124.7 0.0061 1 250 161 59 PRO C C 176.1 0.008 1 251 161 59 PRO CA C 63.51 0.0155 1 252 161 59 PRO CB C 31.67 0.0115 1 253 162 60 GLY H H 8.289 0.0013 1 254 162 60 GLY C C 172.5 0.001 1 255 162 60 GLY CA C 44.96 0.0645 1 256 162 60 GLY N N 107.7 0.0264 1 257 163 61 ASP H H 7.931 0.0006 1 258 163 61 ASP C C 174.9 0.005 1 259 163 61 ASP CA C 53.95 0.005 1 260 163 61 ASP CB C 40.76 0.0054 1 261 163 61 ASP N N 119.3 0.0106 1 262 164 62 LEU H H 7.911 0.0004 1 263 164 62 LEU C C 175.9 0.0073 1 264 164 62 LEU CA C 54.98 0.0041 1 265 164 62 LEU CB C 41.78 0.0067 1 266 164 62 LEU N N 121.3 0.009 1 267 165 63 LYS H H 8.108 0.0005 1 268 165 63 LYS C C 175.1 0.0048 1 269 165 63 LYS CA C 56.03 0.0469 1 270 165 63 LYS CB C 32.26 0.077 1 271 165 63 LYS N N 120.8 0.0076 1 272 166 64 VAL H H 7.806 0.0004 1 273 166 64 VAL C C 174.3 0.0058 1 274 166 64 VAL CA C 61.86 0.0936 1 275 166 64 VAL CB C 32.41 0.018 1 276 166 64 VAL N N 119.7 0.0069 1 277 167 65 ALA H H 8.14 0.0019 1 278 167 65 ALA C C 175.9 0.0078 1 279 167 65 ALA CA C 52.11 0.0096 1 280 167 65 ALA CB C 18.8 0.0233 1 281 167 65 ALA N N 126.4 0.0213 1 282 168 66 ALA H H 8.018 0.0005 1 283 168 66 ALA C C 176.1 0.0067 1 284 168 66 ALA CA C 52.07 0.0285 1 285 168 66 ALA CB C 18.82 0.012 1 286 168 66 ALA N N 122.2 0.0118 1 287 169 67 LYS H H 8.029 0.001 1 288 169 67 LYS C C 174.7 0.0059 1 289 169 67 LYS CA C 55.73 0.0556 1 290 169 67 LYS CB C 32.57 0.0372 1 291 169 67 LYS N N 119.3 0.0066 1 292 170 68 LEU H H 8.012 0.0014 1 293 170 68 LEU C C 175 0.0031 1 294 170 68 LEU CA C 54.35 0.0111 1 295 170 68 LEU CB C 42.08 0.0086 1 296 170 68 LEU N N 122.4 0.0065 1 297 171 69 ALA H H 8.07 0.0006 1 298 171 69 ALA C C 173.7 0 1 299 171 69 ALA CA C 49.93 0 1 300 171 69 ALA CB C 17.89 0 1 301 171 69 ALA N N 125.1 0.0109 1 302 172 70 PRO C C 174.9 0.0065 1 303 172 70 PRO CA C 62.66 0.0415 1 304 172 70 PRO CB C 31.66 0.014 1 305 173 71 ASN H H 8.301 0.0006 1 306 173 71 ASN C C 173 0.0054 1 307 173 71 ASN CA C 52.79 0.0107 1 308 173 71 ASN CB C 38.27 0.0143 1 309 173 71 ASN N N 117.4 0.0108 1 310 174 72 ILE H H 7.835 0.0004 1 311 174 72 ILE C C 172.7 0 1 312 174 72 ILE CA C 58.16 0 1 313 174 72 ILE N N 121.5 0.0146 1 314 175 73 PRO C C 175.1 0.006 1 315 175 73 PRO CA C 62.63 0.058 1 316 175 73 PRO CB C 31.68 0.0062 1 317 176 74 LEU H H 8.13 0.0009 1 318 176 74 LEU C C 176 0.0051 1 319 176 74 LEU CA C 54.99 0.0352 1 320 176 74 LEU CB C 42.1 0.0079 1 321 176 74 LEU N N 121.7 0.0097 1 322 177 75 GLU H H 8.294 0.0005 1 323 177 75 GLU C C 174.7 0.0054 1 324 177 75 GLU CA C 56.22 0.0426 1 325 177 75 GLU CB C 29.69 0.0104 1 326 177 75 GLU N N 120 0.0046 1 327 178 76 MET H H 8.096 0.0008 1 328 178 76 MET C C 174.2 0.0066 1 329 178 76 MET CA C 54.96 0.0222 1 330 178 76 MET CB C 32.84 0.0141 1 331 178 76 MET N N 119.6 0.0207 1 332 179 77 GLU H H 8.161 0.0025 1 333 179 77 GLU C C 174.3 0.0053 1 334 179 77 GLU CA C 55.79 0.0579 1 335 179 77 GLU CB C 29.98 0.0257 1 336 179 77 GLU N N 121.1 0.0361 1 337 180 78 LEU H H 8.15 0.0005 1 338 180 78 LEU C C 173.6 0 1 339 180 78 LEU CA C 52.5 0 1 340 180 78 LEU CB C 41.34 0 1 341 180 78 LEU N N 123.9 0.0129 1 342 181 79 PRO C C 176.1 0.008 1 343 181 79 PRO CA C 62.95 0.0005 1 344 181 79 PRO CB C 31.59 0.076 1 345 182 80 GLY H H 8.289 0.0009 1 346 182 80 GLY C C 172.5 0.0045 1 347 182 80 GLY CA C 44.86 0.0196 1 348 182 80 GLY N N 108.1 0.0209 1 349 183 81 VAL H H 7.687 0.0005 1 350 183 81 VAL C C 174.3 0.0045 1 351 183 81 VAL CA C 61.93 0.0125 1 352 183 81 VAL CB C 32.32 0.0285 1 353 183 81 VAL N N 118.6 0.0052 1 354 184 82 LYS H H 8.208 0.0011 1 355 184 82 LYS C C 174.5 0.0059 1 356 184 82 LYS CA C 55.62 0.0116 1 357 184 82 LYS CB C 32.61 0.0179 1 358 184 82 LYS N N 124.2 0.0068 1 359 185 83 ILE H H 8.05 0.0003 1 360 185 83 ILE C C 174.3 0.0045 1 361 185 83 ILE CA C 60.31 0.0483 1 362 185 83 ILE CB C 38.14 0.019 1 363 185 83 ILE N N 122.7 0.0096 1 364 186 84 VAL H H 8.085 0.0004 1 365 186 84 VAL C C 174.1 0.0108 1 366 186 84 VAL CA C 61.63 0.043 1 367 186 84 VAL CB C 32.44 0.0246 1 368 186 84 VAL N N 124.2 0.0086 1 369 187 85 HIS H H 8.283 0.0026 1 370 187 85 HIS C C 173.1 0.0054 1 371 187 85 HIS CA C 55.3 0.0075 1 372 187 85 HIS CB C 29.97 0.0427 1 373 187 85 HIS N N 122.7 0.0235 1 374 188 86 ALA H H 8.191 0.0011 1 375 188 86 ALA C C 175.7 0.0071 1 376 188 86 ALA CA C 52.13 0.0108 1 377 188 86 ALA CB C 18.94 0.0429 1 378 188 86 ALA N N 124.5 0.0082 1 379 189 87 GLN H H 8.225 0.0004 1 380 189 87 GLN C C 174 0.0045 1 381 189 87 GLN CA C 55.37 0.0514 1 382 189 87 GLN CB C 29.16 0.0065 1 383 189 87 GLN N N 118.4 0.0055 1 384 190 88 PHE H H 8.062 0.0017 1 385 190 88 PHE C C 173.7 0.0052 1 386 190 88 PHE CA C 56.88 0.015 1 387 190 88 PHE CB C 39.22 0.0131 1 388 190 88 PHE N N 119.6 0.0133 1 389 191 89 ASN H H 8.257 0.0011 1 390 191 89 ASN C C 173 0.0033 1 391 191 89 ASN CA C 52.62 0.0375 1 392 191 89 ASN CB C 38.69 0.0237 1 393 191 89 ASN N N 119.2 0.0059 1 394 192 90 THR H H 7.894 0.0007 1 395 192 90 THR C C 171.2 0 1 396 192 90 THR CA C 59.45 0 1 397 192 90 THR CB C 69.28 0 1 398 192 90 THR N N 115.5 0.0101 1 399 193 91 PRO C C 175.3 0.006 1 400 193 91 PRO CA C 62.91 0.0295 1 401 193 91 PRO CB C 31.66 0.0135 1 402 194 92 MET H H 8.214 0.0005 1 403 194 92 MET C C 174.4 0.002 1 404 194 92 MET CA C 55.24 0.0628 1 405 194 92 MET CB C 32.53 0.0537 1 406 194 92 MET N N 119.2 0.0102 1 407 195 93 GLN H H 8.149 0.0007 1 408 195 93 GLN C C 173.7 0.0048 1 409 195 93 GLN CA C 55.35 0.0439 1 410 195 93 GLN CB C 29.07 0.0375 1 411 195 93 GLN N N 120.5 0.0199 1 412 196 94 LEU H H 8.029 0.0013 1 413 196 94 LEU C C 175.2 0.0059 1 414 196 94 LEU CA C 54.68 0.0404 1 415 196 94 LEU CB C 42.21 0.0062 1 416 196 94 LEU N N 122.4 0.0126 1 417 197 95 TYR H H 8.021 0.0013 1 418 197 95 TYR C C 174 0.0038 1 419 197 95 TYR CA C 57.03 0.0283 1 420 197 95 TYR CB C 38.59 0.0074 1 421 197 95 TYR N N 119.3 0.017 1 422 198 96 SER H H 8.028 0.0003 1 423 198 96 SER C C 172.5 0.0049 1 424 198 96 SER CA C 57.47 0.038 1 425 198 96 SER CB C 63.73 0.0059 1 426 198 96 SER N N 116.1 0.0096 1 427 199 97 ASP H H 8.206 0.0022 1 428 199 97 ASP C C 174.5 0.0042 1 429 199 97 ASP CA C 54.16 0.0766 1 430 199 97 ASP CB C 40.73 0.0464 1 431 199 97 ASP N N 121.6 0.025 1 432 200 98 ASP H H 8.107 0.0007 1 433 200 98 ASP C C 174.6 0.0034 1 434 200 98 ASP CA C 54.32 0.0543 1 435 200 98 ASP CB C 40.6 0.008 1 436 200 98 ASP N N 119.1 0.0116 1 437 201 99 ASN H H 8.177 0.001 1 438 201 99 ASN C C 173.9 0.005 1 439 201 99 ASN CA C 53.1 0.0062 1 440 201 99 ASN CB C 38.45 0.0195 1 441 201 99 ASN N N 117.6 0.0034 1 442 202 100 ILE H H 7.872 0.0012 1 443 202 100 ILE C C 174.9 0.0041 1 444 202 100 ILE CA C 61.29 0.0237 1 445 202 100 ILE CB C 37.97 0.016 1 446 202 100 ILE N N 119.9 0.0107 1 447 203 101 MET H H 8.201 0.0006 1 448 203 101 MET C C 175 0.0048 1 449 203 101 MET CA C 55.44 0.0243 1 450 203 101 MET CB C 32.12 0.0345 1 451 203 101 MET N N 122.1 0.0243 1 452 204 102 GLU H H 8.186 0.0006 1 453 204 102 GLU C C 175.3 0.0048 1 454 204 102 GLU CA C 56.72 0.02 1 455 204 102 GLU CB C 29.86 0.0166 1 456 204 102 GLU N N 120.7 0.0046 1 457 205 103 THR H H 7.964 0.0007 1 458 205 103 THR C C 173.3 0.0033 1 459 205 103 THR CA C 61.92 0.049 1 460 205 103 THR CB C 69.33 0.0151 1 461 205 103 THR N N 113.9 0.0057 1 462 206 104 LEU H H 8.077 0.0005 1 463 206 104 LEU C C 176 0.0056 1 464 206 104 LEU CA C 55.02 0.0434 1 465 206 104 LEU CB C 41.75 0.012 1 466 206 104 LEU N N 123 0.0102 1 467 207 105 GLN H H 8.156 0.0006 1 468 207 105 GLN C C 175 0.0042 1 469 207 105 GLN CA C 55.85 0.0629 1 470 207 105 GLN CB C 28.82 0.0164 1 471 207 105 GLN N N 119.4 0.0096 1 472 208 106 GLY H H 8.209 0.0008 1 473 208 106 GLY C C 172.4 0.0522 1 474 208 106 GLY CA C 44.93 0.0455 1 475 208 106 GLY N N 108.6 0.01 1 476 209 107 GLN H H 8.011 0.0007 1 477 209 107 GLN C C 174.5 0.0299 1 478 209 107 GLN CA C 55.2 0.0655 1 479 209 107 GLN CB C 29.17 0.0118 1 480 209 107 GLN N N 118.8 0.0045 1 481 210 108 VAL H H 8.066 0.0006 1 482 210 108 VAL C C 174.7 0.0041 1 483 210 108 VAL CA C 61.8 0.0128 1 484 210 108 VAL CB C 32.46 0.0181 1 485 210 108 VAL N N 120.2 0.0066 1 486 211 109 SER H H 8.311 0.0008 1 487 211 109 SER C C 173.3 0.0041 1 488 211 109 SER CA C 57.85 0.063 1 489 211 109 SER CB C 63.44 0.0202 1 490 211 109 SER N N 118.4 0.0099 1 491 212 110 THR H H 8.052 0.0007 1 492 212 110 THR C C 172.8 0.0079 1 493 212 110 THR CA C 61.43 0.044 1 494 212 110 THR CB C 69.28 0.0205 1 495 212 110 THR N N 115.3 0.0442 1 496 213 111 ALA H H 8.131 0.0019 1 497 213 111 ALA C C 176.1 0.0056 1 498 213 111 ALA CA C 52.1 0.0215 1 499 213 111 ALA CB C 18.78 0.0653 1 500 213 111 ALA N N 125.4 0.0414 1 501 214 112 LEU H H 8.047 0.0005 1 502 214 112 LEU C C 176.4 0.0062 1 503 214 112 LEU CA C 54.92 0.0084 1 504 214 112 LEU CB C 41.91 0.0258 1 505 214 112 LEU N N 120.4 0.0041 1 506 215 113 GLY H H 8.165 0.0004 1 507 215 113 GLY C C 172.3 0.0061 1 508 215 113 GLY CA C 44.78 0.0082 1 509 215 113 GLY N N 108.4 0.0027 1 510 216 114 GLU H H 8.037 0.0014 1 511 216 114 GLU C C 174.9 0.004 1 512 216 114 GLU CA C 55.78 0.054 1 513 216 114 GLU CB C 30.18 0.0222 1 514 216 114 GLU N N 119.3 0.0107 1 515 217 115 THR H H 8.153 0.0007 1 516 217 115 THR C C 171.2 0 1 517 217 115 THR CA C 59.42 0 1 518 217 115 THR CB C 69.31 0 1 519 217 115 THR N N 117.2 0.0082 1 520 218 116 PRO C C 175.1 0.0042 1 521 218 116 PRO CA C 62.58 0.0025 1 522 218 116 PRO CB C 31.71 0.0085 1 523 219 117 LEU H H 8.174 0.0005 1 524 219 117 LEU C C 175.8 0.0054 1 525 219 117 LEU CA C 54.83 0.0579 1 526 219 117 LEU CB C 41.88 0.0176 1 527 219 117 LEU N N 121.4 0.0019 1 528 220 118 MET H H 8.212 0.0004 1 529 220 118 MET C C 174.3 0.0066 1 530 220 118 MET CA C 54.81 0.0159 1 531 220 118 MET CB C 32.57 0.0145 1 532 220 118 MET N N 120.4 0.0053 1 533 221 119 SER H H 8.095 0.0015 1 534 221 119 SER C C 172.4 0.0037 1 535 221 119 SER CA C 57.64 0.002 1 536 221 119 SER CB C 63.5 0.01 1 537 221 119 SER N N 116 0.016 1 538 222 120 GLU H H 8.216 0.0011 1 539 222 120 GLU C C 173.1 0 1 540 222 120 GLU CA C 53.96 0 1 541 222 120 GLU CB C 29.42 0 1 542 222 120 GLU N N 122.7 0.0071 1 543 223 121 PRO C C 175.6 0.007 1 544 223 121 PRO CA C 62.96 0 1 545 223 121 PRO CB C 31.7 0 1 546 224 122 THR H H 8.042 0.0057 1 547 224 122 THR C C 172.7 0.014 1 548 224 122 THR CA C 61.35 0.0597 1 549 224 122 THR CB C 69.37 0.0808 1 550 224 122 THR N N 113.2 0.0062 1 551 225 123 ALA H H 8.131 0.0009 1 552 225 123 ALA C C 175.9 0.005 1 553 225 123 ALA CA C 51.95 0.0141 1 554 225 123 ALA CB C 19.03 0.0356 1 555 225 123 ALA N N 125.5 0.0339 1 556 226 124 SER H H 8.152 0.0016 1 557 226 124 SER C C 172.5 0.0025 1 558 226 124 SER CA C 57.74 0.041 1 559 226 124 SER CB C 63.36 0 1 560 226 124 SER N N 114.8 0.0154 1 561 227 125 VAL H H 7.973 0.0022 1 562 227 125 VAL C C 172.4 0 1 563 227 125 VAL CA C 59.18 0 1 564 227 125 VAL CB C 32.29 0 1 565 227 125 VAL N N 122 0.0186 1 566 229 127 PRO C C 175.6 0.0065 1 567 229 127 PRO CA C 62.71 0.0259 1 568 229 127 PRO CB C 31.56 0.023 1 569 230 128 GLU H H 8.429 0.0005 1 570 230 128 GLU C C 175.1 0.0043 1 571 230 128 GLU CA C 56.55 0.0507 1 572 230 128 GLU CB C 29.37 0.0295 1 573 230 128 GLU N N 119 0.0041 1 574 231 129 SER H H 8.079 0.0033 1 575 231 129 SER C C 173 0.0037 1 576 231 129 SER CA C 58.02 0.0041 1 577 231 129 SER CB C 63.55 0.0311 1 578 231 129 SER N N 114.8 0.0037 1 579 232 130 ASP H H 8.253 0.0008 1 580 232 130 ASP C C 175.5 0.0033 1 581 232 130 ASP CA C 54.61 0.0511 1 582 232 130 ASP CB C 40.51 0.0034 1 583 232 130 ASP N N 121.9 0.005 1 584 233 131 VAL H H 7.768 0.0007 1 585 233 131 VAL C C 175 0.0085 1 586 233 131 VAL CA C 63.48 0.0255 1 587 233 131 VAL CB C 31.76 0.0242 1 588 233 131 VAL N N 118.5 0.0176 1 589 234 132 TYR H H 7.857 0.001 1 590 234 132 TYR C C 175.2 0.0035 1 591 234 132 TYR CA C 58.96 0.0242 1 592 234 132 TYR CB C 37.8 0.0103 1 593 234 132 TYR N N 120.2 0.0104 1 594 235 133 ARG H H 7.797 0.0008 1 595 235 133 ARG C C 175.1 0.0175 1 596 235 133 ARG CA C 56.73 0.0338 1 597 235 133 ARG CB C 30.13 0.0258 1 598 235 133 ARG N N 120 0.0122 1 599 236 134 MET H H 7.945 0.0014 1 600 236 134 MET C C 175.1 0.0014 1 601 236 134 MET CA C 55.93 0.0119 1 602 236 134 MET CB C 32.21 0.0279 1 603 236 134 MET N N 118.4 0.0103 1 604 237 135 LEU H H 7.837 0.0019 1 605 237 135 LEU C C 175.7 0.005 1 606 237 135 LEU CA C 55.06 0.0407 1 607 237 135 LEU CB C 41.94 0.0161 1 608 237 135 LEU N N 120.3 0.0088 1 609 238 136 HIS H H 7.962 0.0005 1 610 238 136 HIS C C 172.9 0.005 1 611 238 136 HIS CA C 55.41 0.0172 1 612 238 136 HIS CB C 29.43 0.0161 1 613 238 136 HIS N N 117.2 0.0095 1 614 239 137 ASP H H 8.083 0.0016 1 615 239 137 ASP C C 174.4 0.0046 1 616 239 137 ASP CA C 53.88 0.0005 1 617 239 137 ASP CB C 40.77 0.0184 1 618 239 137 ASP N N 120.4 0.0159 1 619 240 138 ASN H H 8.272 0.0015 1 620 240 138 ASN C C 173.9 0.0048 1 621 240 138 ASN CA C 52.91 0.0302 1 622 240 138 ASN CB C 38.24 0.0148 1 623 240 138 ASN N N 118.7 0.015 1 624 241 139 ARG H H 8.103 0.0669 1 625 241 139 ARG C C 174.6 0.0054 1 626 241 139 ARG CA C 56.16 0.0124 1 627 241 139 ARG CB C 30.05 0.0274 1 628 241 139 ARG N N 119.8 0.4245 1 629 242 140 ASN H H 8.25 0.0011 1 630 242 140 ASN C C 173.1 0.0034 1 631 242 140 ASN CA C 52.64 0.0024 1 632 242 140 ASN CB C 38.59 0.0053 1 633 242 140 ASN N N 117.7 0.0164 1 634 243 141 GLU H H 8.026 0.0022 1 635 243 141 GLU C C 173 0 1 636 243 141 GLU CA C 53.88 0 1 637 243 141 GLU CB C 29.43 0 1 638 243 141 GLU N N 121.1 0.0284 1 639 244 142 PRO C C 175.5 0.0052 1 640 244 142 PRO CA C 62.78 0 1 641 244 142 PRO CB C 31.67 0.0175 1 642 245 143 THR H H 8.057 0.0033 1 643 245 143 THR C C 172.8 0.0045 1 644 245 143 THR CA C 61.47 0.0398 1 645 245 143 THR CB C 69.31 0.0045 1 646 245 143 THR N N 113.1 0.0068 1 647 246 144 GLN H H 8.136 0.0011 1 648 246 144 GLN C C 172.3 0 1 649 246 144 GLN CA C 53.11 0 1 650 246 144 GLN CB C 28.63 0 1 651 246 144 GLN N N 122.5 0.0033 1 652 247 145 PRO C C 175.3 0.004 1 653 247 145 PRO CA C 62.62 0.0025 1 654 247 145 PRO CB C 31.68 0 1 655 248 146 ARG H H 8.317 0.0012 1 656 248 146 ARG C C 174.8 0.0047 1 657 248 146 ARG CA C 55.66 0.0067 1 658 248 146 ARG CB C 30.4 0.0131 1 659 248 146 ARG N N 120.3 0.0084 1 660 249 147 GLN H H 8.328 0.0008 1 661 249 147 GLN C C 174.4 0.0041 1 662 249 147 GLN CA C 55.25 0.0098 1 663 249 147 GLN CB C 29.13 0.0201 1 664 249 147 GLN N N 120.6 0.0927 1 665 250 148 SER H H 8.292 0.0012 1 666 250 148 SER C C 173.4 0.0054 1 667 250 148 SER CA C 58.06 0.0555 1 668 250 148 SER CB C 63.48 0.0102 1 669 250 148 SER N N 116.4 0.0214 1 670 251 149 GLY H H 8.34 0.0036 1 671 251 149 GLY C C 172.6 0.0086 1 672 251 149 GLY CA C 45.02 0.0137 1 673 251 149 GLY N N 109.9 0.0066 1 674 252 150 SER H H 8.013 0.0021 1 675 252 150 SER C C 172.6 0.0373 1 676 252 150 SER CA C 57.86 0.052 1 677 252 150 SER CB C 63.32 0.0314 1 678 252 150 SER N N 114.5 0.0129 1 679 253 151 PHE H H 8.041 0.0006 1 680 253 151 PHE C C 173.8 0.0037 1 681 253 151 PHE CA C 57.5 0.0172 1 682 253 151 PHE CB C 39.1 0.0123 1 683 253 151 PHE N N 121 0.007 1 684 254 152 ARG H H 7.976 0.0013 1 685 254 152 ARG C C 174.2 0.0049 1 686 254 152 ARG CA C 55.67 0.0311 1 687 254 152 ARG CB C 30.59 0.0356 1 688 254 152 ARG N N 121.6 0.0232 1 689 255 153 VAL H H 7.959 0.0008 1 690 255 153 VAL C C 174.6 0.009 1 691 255 153 VAL CA C 62.15 0.0316 1 692 255 153 VAL CB C 32.19 0.0135 1 693 255 153 VAL N N 120.7 0.0154 1 694 256 154 LEU H H 8.14 0.0004 1 695 256 154 LEU C C 175.6 0.0063 1 696 256 154 LEU CA C 54.68 0.0083 1 697 256 154 LEU CB C 41.83 0.0139 1 698 256 154 LEU N N 124.9 0.0076 1 699 257 155 GLN H H 8.167 0.0004 1 700 257 155 GLN C C 174.7 0.0062 1 701 257 155 GLN CA C 55.58 0.0352 1 702 257 155 GLN CB C 28.99 0.0105 1 703 257 155 GLN N N 119.9 0.0249 1 704 258 156 GLY H H 8.261 0.0005 1 705 258 156 GLY C C 172.3 0.0046 1 706 258 156 GLY CA C 44.85 0.046 1 707 258 156 GLY N N 109 0.0062 1 708 259 157 MET H H 8.011 0.0005 1 709 259 157 MET C C 174.5 0.0095 1 710 259 157 MET CA C 55.03 0.056 1 711 259 157 MET CB C 32.69 0.0203 1 712 259 157 MET N N 118.8 0.0045 1 713 260 158 VAL H H 8.015 0.0449 1 714 260 158 VAL C C 174.1 0.0046 1 715 260 158 VAL CA C 61.69 0.0258 1 716 260 158 VAL CB C 32.63 0.0377 1 717 260 158 VAL N N 119.8 0.0058 1 718 261 159 ASP H H 8.297 0.0003 1 719 261 159 ASP C C 174.3 0.0028 1 720 261 159 ASP CA C 53.63 0.0041 1 721 261 159 ASP CB C 40.89 0.0908 1 722 261 159 ASP N N 123.3 0.0037 1 723 262 160 ASP H H 8.152 0.0011 1 724 262 160 ASP C C 175.6 0.0052 1 725 262 160 ASP CA C 53.68 0.0082 1 726 262 160 ASP CB C 40.71 0.0374 1 727 262 160 ASP N N 121 0.0137 1 728 263 161 GLY H H 8.4 0.0006 1 729 263 161 GLY C C 173.2 0.0054 1 730 263 161 GLY CA C 45.18 0.0474 1 731 263 161 GLY N N 108.5 0.006 1 732 264 162 SER H H 8.05 0.0005 1 733 264 162 SER C C 172.9 0.0031 1 734 264 162 SER CA C 58.42 0.0423 1 735 264 162 SER CB C 63.47 0.009 1 736 264 162 SER N N 114.7 0.0401 1 737 265 163 ASP H H 8.3 0.0004 1 738 265 163 ASP C C 174.2 0.0106 1 739 265 163 ASP CA C 53.96 0.0254 1 740 265 163 ASP CB C 40.68 0.082 1 741 265 163 ASP N N 121.1 0.005 1 742 266 164 ASP H H 8.076 0.0011 1 743 266 164 ASP C C 174.3 0.0014 1 744 266 164 ASP CA C 53.64 0.0557 1 745 266 164 ASP CB C 40.54 0.0178 1 746 266 164 ASP N N 119.7 0.0175 1 747 267 165 ARG H H 7.915 0.0004 1 748 267 165 ARG C C 172.6 0 1 749 267 165 ARG CA C 53.63 0 1 750 267 165 ARG CB C 29.69 0 1 751 267 165 ARG N N 120.7 0.0038 1 752 268 166 PRO C C 175.4 0.0055 1 753 268 166 PRO CA C 62.69 0.0295 1 754 268 166 PRO CB C 31.61 0.0175 1 755 269 167 ALA H H 8.39 0.0003 1 756 269 167 ALA C C 176.9 0.0068 1 757 269 167 ALA CA C 52.39 0.0029 1 758 269 167 ALA CB C 18.75 0.0368 1 759 269 167 ALA N N 123.9 0.008 1 760 270 168 GLY H H 8.292 0.0005 1 761 270 168 GLY C C 172.8 0.0053 1 762 270 168 GLY CA C 44.84 0.0057 1 763 270 168 GLY N N 107.1 0.011 1 764 271 169 THR H H 7.874 0.0005 1 765 271 169 THR C C 172.9 0.0033 1 766 271 169 THR CA C 61.5 0.048 1 767 271 169 THR CB C 69.48 0.0059 1 768 271 169 THR N N 112.6 0.0067 1 769 272 170 ARG H H 8.252 0.0006 1 770 272 170 ARG C C 173.8 0.0043 1 771 272 170 ARG CA C 55.55 0.0556 1 772 272 170 ARG CB C 30.49 0.0075 1 773 272 170 ARG N N 123 0.0073 1 774 273 171 SER H H 7.864 0.0005 1 775 273 171 SER C C 177 0 1 776 273 171 SER CA C 59.46 0 1 777 273 171 SER CB C 64.37 0 1 778 273 171 SER N N 122 0.0084 1 stop_ save_