data_27833 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; tEIN backbone and I/L/V methyl resonance assignment ; _BMRB_accession_number 27833 _BMRB_flat_file_name bmr27833.str _Entry_type original _Submission_date 2019-03-11 _Accession_date 2019-03-11 _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 Dotas Rochelle . . 2 Venditti Vincenzo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 337 "13C chemical shifts" 807 "15N chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-16 update BMRB 'update entry citation' 2019-05-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27832 'Methyl Chemical shift Assignment of EIC from the thermophile thermoanaerobacter tengcongenesis' stop_ _Original_release_date 2019-03-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignment of the 128 kDa enzyme I dimer from Thermoanaerobacter tengcongensis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31025174 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dotas Rochelle . . 2 Venditti Vincenzo . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 287 _Page_last 293 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tEIN $tEIN 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_tEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tEIN _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 248 _Mol_residue_sequence ; MLKGVAASPGIAIGKAFLYT KEKVTINVEKIEESKVEEEI AKFRKALEVTQEEIEKIKEK ALKEFGKEKAEIFEAHLMLA SDPELIEGVENMIKTELVTA DNAVNKVIEQNASVMESLND EYLKERAVDLRDVGNRIIEN LLGVKSVNLSDLEEEVVVIA RDLTPSDTATMKKEMVLGFA TDVGGITSHTAIMARSLEIP AVVGLGNVTSQVKAGDLVIV DGLEGIVIVNPDEKTVEDYK SKKESYEK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 LYS 4 GLY 5 VAL 6 ALA 7 ALA 8 SER 9 PRO 10 GLY 11 ILE 12 ALA 13 ILE 14 GLY 15 LYS 16 ALA 17 PHE 18 LEU 19 TYR 20 THR 21 LYS 22 GLU 23 LYS 24 VAL 25 THR 26 ILE 27 ASN 28 VAL 29 GLU 30 LYS 31 ILE 32 GLU 33 GLU 34 SER 35 LYS 36 VAL 37 GLU 38 GLU 39 GLU 40 ILE 41 ALA 42 LYS 43 PHE 44 ARG 45 LYS 46 ALA 47 LEU 48 GLU 49 VAL 50 THR 51 GLN 52 GLU 53 GLU 54 ILE 55 GLU 56 LYS 57 ILE 58 LYS 59 GLU 60 LYS 61 ALA 62 LEU 63 LYS 64 GLU 65 PHE 66 GLY 67 LYS 68 GLU 69 LYS 70 ALA 71 GLU 72 ILE 73 PHE 74 GLU 75 ALA 76 HIS 77 LEU 78 MET 79 LEU 80 ALA 81 SER 82 ASP 83 PRO 84 GLU 85 LEU 86 ILE 87 GLU 88 GLY 89 VAL 90 GLU 91 ASN 92 MET 93 ILE 94 LYS 95 THR 96 GLU 97 LEU 98 VAL 99 THR 100 ALA 101 ASP 102 ASN 103 ALA 104 VAL 105 ASN 106 LYS 107 VAL 108 ILE 109 GLU 110 GLN 111 ASN 112 ALA 113 SER 114 VAL 115 MET 116 GLU 117 SER 118 LEU 119 ASN 120 ASP 121 GLU 122 TYR 123 LEU 124 LYS 125 GLU 126 ARG 127 ALA 128 VAL 129 ASP 130 LEU 131 ARG 132 ASP 133 VAL 134 GLY 135 ASN 136 ARG 137 ILE 138 ILE 139 GLU 140 ASN 141 LEU 142 LEU 143 GLY 144 VAL 145 LYS 146 SER 147 VAL 148 ASN 149 LEU 150 SER 151 ASP 152 LEU 153 GLU 154 GLU 155 GLU 156 VAL 157 VAL 158 VAL 159 ILE 160 ALA 161 ARG 162 ASP 163 LEU 164 THR 165 PRO 166 SER 167 ASP 168 THR 169 ALA 170 THR 171 MET 172 LYS 173 LYS 174 GLU 175 MET 176 VAL 177 LEU 178 GLY 179 PHE 180 ALA 181 THR 182 ASP 183 VAL 184 GLY 185 GLY 186 ILE 187 THR 188 SER 189 HIS 190 THR 191 ALA 192 ILE 193 MET 194 ALA 195 ARG 196 SER 197 LEU 198 GLU 199 ILE 200 PRO 201 ALA 202 VAL 203 VAL 204 GLY 205 LEU 206 GLY 207 ASN 208 VAL 209 THR 210 SER 211 GLN 212 VAL 213 LYS 214 ALA 215 GLY 216 ASP 217 LEU 218 VAL 219 ILE 220 VAL 221 ASP 222 GLY 223 LEU 224 GLU 225 GLY 226 ILE 227 VAL 228 ILE 229 VAL 230 ASN 231 PRO 232 ASP 233 GLU 234 LYS 235 THR 236 VAL 237 GLU 238 ASP 239 TYR 240 LYS 241 SER 242 LYS 243 LYS 244 GLU 245 SER 246 TYR 247 GLU 248 LYS 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 $tEIN 'Caldanaerobacter subterraneus' . Bacteria . Thermoanaerobacter tengcongensis 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 $tEIN 'recombinant technology' . Escherichia coli . pet21A 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 $tEIN 1 mM '[U-13C; U-15N; U-2H]' D2O 10 % 'natural abundance' TRIS 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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 pH 7.4 . pH pressure 1 . atm temperature 273 . 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 4.8 internal direct . . . 0.251449530 water H 1 protons ppm 4.8 internal direct . . . 1.0 water N 15 protons ppm 4.8 internal direct . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' 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 tEIN _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LEU HD1 H 0.67 0.01 2 2 2 2 LEU HD2 H 0.767 0.01 2 3 2 2 LEU C C 175.051 0.15 1 4 2 2 LEU CA C 54.279 0.2 1 5 2 2 LEU CB C 44.707 0.3 1 6 2 2 LEU CD1 C 24.054 0.04 2 7 2 2 LEU CD2 C 25.355 0.04 2 8 3 3 LYS H H 8.024 0.015 1 9 3 3 LYS C C 176.258 0.15 1 10 3 3 LYS CA C 55.21 0.2 1 11 3 3 LYS CB C 35.546 0.3 1 12 3 3 LYS N N 122.69 0.03 1 13 4 4 GLY H H 8.339 0.015 1 14 4 4 GLY C C 171.87 0.15 1 15 4 4 GLY CA C 44.588 0.2 1 16 4 4 GLY N N 114.199 0.03 1 17 5 5 VAL H H 8.662 0.015 1 18 5 5 VAL HG1 H 0.645 0.01 2 19 5 5 VAL HG2 H 0.911 0.01 2 20 5 5 VAL C C 176.155 0.15 1 21 5 5 VAL CA C 61.532 0.2 1 22 5 5 VAL CB C 34.106 0.3 1 23 5 5 VAL CG1 C 20.168 0.04 2 24 5 5 VAL CG2 C 20.721 0.04 2 25 5 5 VAL N N 125.068 0.03 1 26 6 6 ALA H H 8.565 0.015 1 27 6 6 ALA C C 175.511 0.15 1 28 6 6 ALA CA C 52.492 0.2 1 29 6 6 ALA CB C 18.681 0.3 1 30 6 6 ALA N N 131.861 0.03 1 31 7 7 ALA H H 7.92 0.015 1 32 7 7 ALA C C 176.292 0.15 1 33 7 7 ALA CA C 52.586 0.2 1 34 7 7 ALA CB C 22.66 0.3 1 35 7 7 ALA N N 128.673 0.03 1 36 8 8 SER H H 7.463 0.015 1 37 8 8 SER CA C 54.55 0.2 1 38 8 8 SER CB C 66.236 0.3 1 39 8 8 SER N N 112.501 0.03 1 40 9 9 PRO C C 175.132 0.15 1 41 9 9 PRO CA C 62.871 0.2 1 42 9 9 PRO CB C 34.115 0.3 1 43 10 10 GLY H H 5.563 0.015 1 44 10 10 GLY C C 171.587 0.15 1 45 10 10 GLY CA C 43.158 0.2 1 46 10 10 GLY N N 102.812 0.03 1 47 11 11 ILE H H 8.287 0.015 1 48 11 11 ILE HD1 H 0.892 0.01 1 49 11 11 ILE C C 174.237 0.15 1 50 11 11 ILE CA C 59.378 0.2 1 51 11 11 ILE CB C 42.722 0.3 1 52 11 11 ILE CD1 C 13.445 0.04 1 53 11 11 ILE N N 119.28 0.03 1 54 12 12 ALA H H 8.748 0.015 1 55 12 12 ALA C C 175.31 0.15 1 56 12 12 ALA CA C 49.632 0.2 1 57 12 12 ALA CB C 23.62 0.3 1 58 12 12 ALA N N 128.895 0.03 1 59 13 13 ILE H H 8.141 0.015 1 60 13 13 ILE HD1 H 0.737 0.01 1 61 13 13 ILE C C 175.516 0.15 1 62 13 13 ILE CA C 59.879 0.2 1 63 13 13 ILE CB C 41.858 0.3 1 64 13 13 ILE CD1 C 14.196 0.04 1 65 13 13 ILE N N 121.283 0.03 1 66 14 14 GLY H H 8.398 0.015 1 67 14 14 GLY C C 170.654 0.15 1 68 14 14 GLY CA C 45.392 0.2 1 69 14 14 GLY N N 111.771 0.03 1 70 15 15 LYS H H 8.51 0.015 1 71 15 15 LYS C C 176.715 0.15 1 72 15 15 LYS CA C 55.79 0.2 1 73 15 15 LYS CB C 34.979 0.3 1 74 15 15 LYS N N 120.575 0.03 1 75 16 16 ALA H H 8.882 0.015 1 76 16 16 ALA C C 177.918 0.15 1 77 16 16 ALA CA C 52.114 0.2 1 78 16 16 ALA CB C 21.626 0.3 1 79 16 16 ALA N N 123.969 0.03 1 80 17 17 PHE H H 9.023 0.015 1 81 17 17 PHE C C 173.338 0.15 1 82 17 17 PHE CA C 57.208 0.2 1 83 17 17 PHE CB C 43.364 0.3 1 84 17 17 PHE N N 126.685 0.03 1 85 18 18 LEU H H 7.389 0.015 1 86 18 18 LEU HD1 H 0.65 0.01 2 87 18 18 LEU HD2 H 0.68 0.01 2 88 18 18 LEU C C 174.53 0.15 1 89 18 18 LEU CA C 53.403 0.2 1 90 18 18 LEU CB C 43.048 0.3 1 91 18 18 LEU CD1 C 23.523 0.04 2 92 18 18 LEU CD2 C 23.987 0.04 2 93 18 18 LEU N N 130.627 0.03 1 94 19 19 TYR H H 8.976 0.015 1 95 19 19 TYR C C 173.849 0.15 1 96 19 19 TYR CA C 55.631 0.2 1 97 19 19 TYR CB C 39.974 0.3 1 98 19 19 TYR N N 129.364 0.03 1 99 20 20 THR H H 7.376 0.015 1 100 20 20 THR CA C 59.742 0.2 1 101 20 20 THR CB C 71.925 0.3 1 102 20 20 THR N N 118.463 0.03 1 103 21 21 LYS C C 176.316 0.15 1 104 21 21 LYS CA C 55.341 0.2 1 105 21 21 LYS CB C 33.878 0.3 1 106 22 22 GLU H H 8.124 0.015 1 107 22 22 GLU C C 176.255 0.15 1 108 22 22 GLU CA C 55.863 0.2 1 109 22 22 GLU CB C 31.559 0.3 1 110 22 22 GLU N N 123.389 0.03 1 111 23 23 LYS H H 8.053 0.015 1 112 23 23 LYS C C 176.58 0.15 1 113 23 23 LYS CA C 55.851 0.2 1 114 23 23 LYS CB C 33.6 0.3 1 115 23 23 LYS N N 123.656 0.03 1 116 24 24 VAL H H 7.788 0.015 1 117 24 24 VAL HG1 H 0.801 0.01 2 118 24 24 VAL HG2 H 0.823 0.01 2 119 24 24 VAL C C 175.71 0.15 1 120 24 24 VAL CA C 61.371 0.2 1 121 24 24 VAL CB C 34.104 0.3 1 122 24 24 VAL CG1 C 20.112 0.04 2 123 24 24 VAL CG2 C 21.502 0.04 2 124 24 24 VAL N N 122.082 0.03 1 125 25 25 THR H H 7.825 0.015 1 126 25 25 THR C C 173.337 0.15 1 127 25 25 THR CA C 61.476 0.2 1 128 25 25 THR CB C 71.105 0.3 1 129 25 25 THR N N 120.942 0.03 1 130 26 26 ILE H H 7.612 0.015 1 131 26 26 ILE C C 176.028 0.15 1 132 26 26 ILE CA C 58.929 0.2 1 133 26 26 ILE CB C 39.119 0.3 1 134 26 26 ILE N N 125.584 0.03 1 135 27 27 ASN H H 9.041 0.015 1 136 27 27 ASN C C 175.638 0.15 1 137 27 27 ASN CA C 53.112 0.2 1 138 27 27 ASN CB C 40.652 0.3 1 139 27 27 ASN N N 126.874 0.03 1 140 28 28 VAL H H 7.707 0.015 1 141 28 28 VAL HG1 H 0.749 0.01 2 142 28 28 VAL HG2 H 0.788 0.01 2 143 28 28 VAL C C 176.694 0.15 1 144 28 28 VAL CA C 61.095 0.2 1 145 28 28 VAL CB C 32.545 0.3 1 146 28 28 VAL CG1 C 18.311 0.04 2 147 28 28 VAL CG2 C 21.062 0.04 2 148 28 28 VAL N N 117.448 0.03 1 149 29 29 GLU H H 7.666 0.015 1 150 29 29 GLU C C 176.399 0.15 1 151 29 29 GLU CA C 56.246 0.2 1 152 29 29 GLU CB C 31.535 0.3 1 153 29 29 GLU N N 123.467 0.03 1 154 30 30 LYS H H 7.952 0.015 1 155 30 30 LYS C C 178.225 0.15 1 156 30 30 LYS CA C 55.415 0.2 1 157 30 30 LYS CB C 34.405 0.3 1 158 30 30 LYS N N 121.913 0.03 1 159 31 31 ILE H H 7.883 0.015 1 160 31 31 ILE HD1 H 0.507 0.01 1 161 31 31 ILE C C 175.444 0.15 1 162 31 31 ILE CA C 59.396 0.2 1 163 31 31 ILE CB C 41.308 0.3 1 164 31 31 ILE CD1 C 14.228 0.04 1 165 31 31 ILE N N 116.13 0.03 1 166 32 32 GLU H H 7.559 0.015 1 167 32 32 GLU C C 178.485 0.15 1 168 32 32 GLU CA C 55.565 0.2 1 169 32 32 GLU CB C 32.158 0.3 1 170 32 32 GLU N N 118.236 0.03 1 171 33 33 GLU H H 8.806 0.015 1 172 33 33 GLU CA C 59.66 0.2 1 173 33 33 GLU CB C 31.042 0.3 1 174 33 33 GLU N N 122.615 0.03 1 175 34 34 SER C C 175.717 0.15 1 176 34 34 SER CA C 59.649 0.2 1 177 34 34 SER CB C 63.868 0.3 1 178 35 35 LYS H H 7.81 0.015 1 179 35 35 LYS C C 176.904 0.15 1 180 35 35 LYS CA C 55.244 0.2 1 181 35 35 LYS CB C 33.959 0.3 1 182 35 35 LYS N N 121.463 0.03 1 183 36 36 VAL H H 7.19 0.015 1 184 36 36 VAL HG1 H 0.912 0.01 2 185 36 36 VAL HG2 H 1.101 0.01 2 186 36 36 VAL C C 177.509 0.15 1 187 36 36 VAL CA C 66.899 0.2 1 188 36 36 VAL CB C 33.47 0.3 1 189 36 36 VAL CG1 C 21.792 0.04 2 190 36 36 VAL CG2 C 24.241 0.04 2 191 36 36 VAL N N 122.009 0.03 1 192 37 37 GLU H H 8.271 0.015 1 193 37 37 GLU C C 179.696 0.15 1 194 37 37 GLU CA C 59.89 0.2 1 195 37 37 GLU CB C 29.887 0.3 1 196 37 37 GLU N N 117.551 0.03 1 197 38 38 GLU H H 7.601 0.015 1 198 38 38 GLU C C 178.962 0.15 1 199 38 38 GLU CA C 58.992 0.2 1 200 38 38 GLU CB C 28.374 0.3 1 201 38 38 GLU N N 120.951 0.03 1 202 39 39 GLU H H 7.962 0.015 1 203 39 39 GLU C C 179.377 0.15 1 204 39 39 GLU CA C 59.098 0.2 1 205 39 39 GLU CB C 30.826 0.3 1 206 39 39 GLU N N 121.926 0.03 1 207 40 40 ILE H H 8.314 0.015 1 208 40 40 ILE HD1 H 0.835 0.01 1 209 40 40 ILE C C 178.088 0.15 1 210 40 40 ILE CA C 65.906 0.2 1 211 40 40 ILE CB C 38.735 0.3 1 212 40 40 ILE CD1 C 13.459 0.04 1 213 40 40 ILE N N 120.407 0.03 1 214 41 41 ALA H H 7.967 0.015 1 215 41 41 ALA C C 181.146 0.15 1 216 41 41 ALA CA C 55.293 0.2 1 217 41 41 ALA CB C 18.945 0.3 1 218 41 41 ALA N N 122.613 0.03 1 219 42 42 LYS H H 8.029 0.015 1 220 42 42 LYS C C 179.874 0.15 1 221 42 42 LYS CA C 59.704 0.2 1 222 42 42 LYS CB C 33.481 0.3 1 223 42 42 LYS N N 119.948 0.03 1 224 43 43 PHE H H 7.997 0.015 1 225 43 43 PHE C C 175.738 0.15 1 226 43 43 PHE CA C 60.222 0.2 1 227 43 43 PHE CB C 39.31 0.3 1 228 43 43 PHE N N 120.755 0.03 1 229 44 44 ARG H H 8.547 0.015 1 230 44 44 ARG C C 179.55 0.15 1 231 44 44 ARG CA C 59.223 0.2 1 232 44 44 ARG CB C 30.374 0.3 1 233 44 44 ARG N N 119.031 0.03 1 234 45 45 LYS H H 7.823 0.015 1 235 45 45 LYS C C 178.17 0.15 1 236 45 45 LYS CA C 58.356 0.2 1 237 45 45 LYS CB C 32.456 0.3 1 238 45 45 LYS N N 120.181 0.03 1 239 46 46 ALA H H 7.893 0.015 1 240 46 46 ALA C C 181.727 0.15 1 241 46 46 ALA CA C 54.585 0.2 1 242 46 46 ALA CB C 19.745 0.3 1 243 46 46 ALA N N 121.552 0.03 1 244 47 47 LEU H H 8.571 0.015 1 245 47 47 LEU HD1 H 0.708 0.01 2 246 47 47 LEU HD2 H 0.785 0.01 2 247 47 47 LEU C C 178.26 0.15 1 248 47 47 LEU CA C 57.968 0.2 1 249 47 47 LEU CB C 42.74 0.3 1 250 47 47 LEU CD1 C 23.319 0.04 2 251 47 47 LEU CD2 C 24.527 0.04 2 252 47 47 LEU N N 123.571 0.03 1 253 48 48 GLU H H 7.535 0.015 1 254 48 48 GLU C C 179.778 0.15 1 255 48 48 GLU CA C 59.601 0.2 1 256 48 48 GLU CB C 30.32 0.3 1 257 48 48 GLU N N 121.033 0.03 1 258 49 49 VAL H H 7.962 0.015 1 259 49 49 VAL HG1 H 0.897 0.01 2 260 49 49 VAL HG2 H 1.033 0.01 2 261 49 49 VAL C C 178.503 0.15 1 262 49 49 VAL CA C 65.772 0.2 1 263 49 49 VAL CB C 33.204 0.3 1 264 49 49 VAL CG1 C 20.69 0.04 2 265 49 49 VAL CG2 C 22.107 0.04 2 266 49 49 VAL N N 119.123 0.03 1 267 50 50 THR H H 7.884 0.015 1 268 50 50 THR C C 176.008 0.15 1 269 50 50 THR CA C 67.753 0.2 1 270 50 50 THR N N 118.664 0.03 1 271 51 51 GLN H H 8.278 0.015 1 272 51 51 GLN C C 177.883 0.15 1 273 51 51 GLN CA C 59.781 0.2 1 274 51 51 GLN CB C 28.987 0.3 1 275 51 51 GLN N N 120.708 0.03 1 276 52 52 GLU H H 7.657 0.015 1 277 52 52 GLU C C 179.146 0.15 1 278 52 52 GLU CA C 59.351 0.2 1 279 52 52 GLU CB C 30.193 0.3 1 280 52 52 GLU N N 119.242 0.03 1 281 53 53 GLU H H 8.205 0.015 1 282 53 53 GLU C C 179.636 0.15 1 283 53 53 GLU CA C 59.422 0.2 1 284 53 53 GLU CB C 30.994 0.3 1 285 53 53 GLU N N 120.139 0.03 1 286 54 54 ILE H H 8.155 0.015 1 287 54 54 ILE HD1 H 0.783 0.01 1 288 54 54 ILE C C 177.785 0.15 1 289 54 54 ILE CA C 65.22 0.2 1 290 54 54 ILE CB C 38.798 0.3 1 291 54 54 ILE CD1 C 14.139 0.04 1 292 54 54 ILE N N 119.631 0.03 1 293 55 55 GLU H H 8.094 0.015 1 294 55 55 GLU C C 179.168 0.15 1 295 55 55 GLU CA C 60.034 0.2 1 296 55 55 GLU CB C 30.177 0.3 1 297 55 55 GLU N N 121.023 0.03 1 298 56 56 LYS H H 7.699 0.015 1 299 56 56 LYS C C 180.121 0.15 1 300 56 56 LYS CA C 59.14 0.2 1 301 56 56 LYS CB C 33.096 0.3 1 302 56 56 LYS N N 119.128 0.03 1 303 57 57 ILE H H 7.828 0.015 1 304 57 57 ILE HD1 H 0.59 0.01 1 305 57 57 ILE C C 177.541 0.15 1 306 57 57 ILE CA C 64.802 0.2 1 307 57 57 ILE CB C 38.594 0.3 1 308 57 57 ILE CD1 C 13.012 0.04 1 309 57 57 ILE N N 122.338 0.03 1 310 58 58 LYS H H 8.287 0.015 1 311 58 58 LYS C C 177.893 0.15 1 312 58 58 LYS CA C 60.195 0.2 1 313 58 58 LYS CB C 32.84 0.3 1 314 58 58 LYS N N 122.228 0.03 1 315 59 59 GLU H H 7.689 0.015 1 316 59 59 GLU C C 179.018 0.15 1 317 59 59 GLU CA C 59.168 0.2 1 318 59 59 GLU CB C 30.698 0.3 1 319 59 59 GLU N N 118.289 0.03 1 320 60 60 LYS H H 7.505 0.015 1 321 60 60 LYS C C 178.548 0.15 1 322 60 60 LYS CA C 59.099 0.2 1 323 60 60 LYS CB C 33.417 0.3 1 324 60 60 LYS N N 120.799 0.03 1 325 61 61 ALA H H 8.482 0.015 1 326 61 61 ALA C C 179.973 0.15 1 327 61 61 ALA CA C 54.812 0.2 1 328 61 61 ALA CB C 19.131 0.3 1 329 61 61 ALA N N 121.791 0.03 1 330 62 62 LEU H H 8.228 0.015 1 331 62 62 LEU HD1 H 0.815 0.01 2 332 62 62 LEU HD2 H 0.843 0.01 2 333 62 62 LEU C C 178.877 0.15 1 334 62 62 LEU CA C 57.839 0.2 1 335 62 62 LEU CB C 43.006 0.3 1 336 62 62 LEU CD1 C 23.841 0.04 2 337 62 62 LEU CD2 C 24.803 0.04 2 338 62 62 LEU N N 119.694 0.03 1 339 63 63 LYS H H 7.395 0.015 1 340 63 63 LYS C C 178.272 0.15 1 341 63 63 LYS CA C 58.436 0.2 1 342 63 63 LYS CB C 33.85 0.3 1 343 63 63 LYS N N 117.592 0.03 1 344 64 64 GLU H H 7.984 0.015 1 345 64 64 GLU C C 177.455 0.15 1 346 64 64 GLU CA C 57.708 0.2 1 347 64 64 GLU CB C 31.82 0.3 1 348 64 64 GLU N N 116.602 0.03 1 349 65 65 PHE H H 8.255 0.015 1 350 65 65 PHE C C 176.594 0.15 1 351 65 65 PHE CA C 57.692 0.2 1 352 65 65 PHE CB C 42.819 0.3 1 353 65 65 PHE N N 115.379 0.03 1 354 66 66 GLY H H 7.9 0.015 1 355 66 66 GLY CA C 44.615 0.2 1 356 66 66 GLY N N 109.526 0.03 1 357 68 68 GLU C C 178.926 0.15 1 358 68 68 GLU CA C 59.515 0.2 1 359 68 68 GLU CB C 29.788 0.3 1 360 69 69 LYS H H 7.284 0.015 1 361 69 69 LYS C C 177.603 0.15 1 362 69 69 LYS CA C 56.773 0.2 1 363 69 69 LYS CB C 33.296 0.3 1 364 69 69 LYS N N 117.191 0.03 1 365 70 70 ALA H H 7.505 0.015 1 366 70 70 ALA C C 179.173 0.15 1 367 70 70 ALA CA C 54.332 0.2 1 368 70 70 ALA CB C 20.37 0.3 1 369 70 70 ALA N N 120.142 0.03 1 370 71 71 GLU H H 7.72 0.015 1 371 71 71 GLU C C 179.094 0.15 1 372 71 71 GLU CA C 58.958 0.2 1 373 71 71 GLU CB C 30.661 0.3 1 374 71 71 GLU N N 116.892 0.03 1 375 72 72 ILE H H 7.042 0.015 1 376 72 72 ILE HD1 H 0.601 0.01 1 377 72 72 ILE C C 176.796 0.15 1 378 72 72 ILE CA C 63.384 0.2 1 379 72 72 ILE CB C 38.616 0.3 1 380 72 72 ILE CD1 C 13.223 0.04 1 381 72 72 ILE N N 119.438 0.03 1 382 73 73 PHE H H 6.651 0.015 1 383 73 73 PHE C C 177.831 0.15 1 384 73 73 PHE CA C 60.327 0.2 1 385 73 73 PHE CB C 39.653 0.3 1 386 73 73 PHE N N 116.542 0.03 1 387 74 74 GLU H H 7.794 0.015 1 388 74 74 GLU C C 179.38 0.15 1 389 74 74 GLU CA C 59.256 0.2 1 390 74 74 GLU CB C 30.289 0.3 1 391 74 74 GLU N N 121.031 0.03 1 392 75 75 ALA H H 7.381 0.015 1 393 75 75 ALA C C 180.498 0.15 1 394 75 75 ALA CA C 54.877 0.2 1 395 75 75 ALA CB C 18.67 0.3 1 396 75 75 ALA N N 121.593 0.03 1 397 76 76 HIS H H 7.792 0.015 1 398 76 76 HIS C C 177.608 0.15 1 399 76 76 HIS CA C 59.66 0.2 1 400 76 76 HIS CB C 33.27 0.3 1 401 76 76 HIS N N 117.987 0.03 1 402 77 77 LEU H H 7.908 0.015 1 403 77 77 LEU C C 179.602 0.15 1 404 77 77 LEU CA C 57.809 0.2 1 405 77 77 LEU CB C 42.72 0.3 1 406 77 77 LEU N N 119.418 0.03 1 407 78 78 MET H H 7.733 0.015 1 408 78 78 MET C C 179.407 0.15 1 409 78 78 MET CA C 58.314 0.2 1 410 78 78 MET CB C 33.552 0.3 1 411 78 78 MET N N 119.784 0.03 1 412 79 79 LEU H H 7.816 0.015 1 413 79 79 LEU HD1 H 0.713 0.01 2 414 79 79 LEU HD2 H 0.839 0.01 2 415 79 79 LEU C C 178.318 0.15 1 416 79 79 LEU CA C 57.666 0.2 1 417 79 79 LEU CB C 42.83 0.3 1 418 79 79 LEU CD1 C 22.617 0.04 2 419 79 79 LEU CD2 C 25.95 0.04 2 420 79 79 LEU N N 120.915 0.03 1 421 80 80 ALA H H 7.784 0.015 1 422 80 80 ALA C C 175.524 0.15 1 423 80 80 ALA CA C 52.942 0.2 1 424 80 80 ALA CB C 19.185 0.3 1 425 80 80 ALA N N 116.482 0.03 1 426 81 81 SER H H 7.041 0.015 1 427 81 81 SER C C 173.968 0.15 1 428 81 81 SER CA C 56.553 0.2 1 429 81 81 SER CB C 65.57 0.3 1 430 81 81 SER N N 107.826 0.03 1 431 82 82 ASP H H 6.932 0.015 1 432 82 82 ASP CA C 52.106 0.2 1 433 82 82 ASP CB C 44.445 0.3 1 434 82 82 ASP N N 125.352 0.03 1 435 83 83 PRO C C 179.007 0.15 1 436 83 83 PRO CA C 64.838 0.2 1 437 83 83 PRO CB C 33.31 0.3 1 438 84 84 GLU H H 8.227 0.015 1 439 84 84 GLU C C 180.431 0.15 1 440 84 84 GLU CA C 58.99 0.2 1 441 84 84 GLU CB C 30.423 0.3 1 442 84 84 GLU N N 117.56 0.03 1 443 85 85 LEU H H 7.419 0.015 1 444 85 85 LEU HD1 H 0.852 0.01 2 445 85 85 LEU HD2 H 0.903 0.01 2 446 85 85 LEU C C 177.83 0.15 1 447 85 85 LEU CA C 58.11 0.2 1 448 85 85 LEU CB C 42.796 0.3 1 449 85 85 LEU CD1 C 24.293 0.04 2 450 85 85 LEU CD2 C 24.786 0.04 2 451 85 85 LEU N N 123.731 0.03 1 452 86 86 ILE H H 7.377 0.015 1 453 86 86 ILE C C 177.771 0.15 1 454 86 86 ILE CA C 66.041 0.2 1 455 86 86 ILE CB C 39.817 0.3 1 456 86 86 ILE N N 118.457 0.03 1 457 87 87 GLU H H 8.146 0.015 1 458 87 87 GLU C C 179.313 0.15 1 459 87 87 GLU CA C 58.865 0.2 1 460 87 87 GLU CB C 30.524 0.3 1 461 87 87 GLU N N 117.813 0.03 1 462 88 88 GLY H H 7.62 0.015 1 463 88 88 GLY C C 176.767 0.15 1 464 88 88 GLY CA C 46.92 0.2 1 465 88 88 GLY N N 106.809 0.03 1 466 89 89 VAL H H 7.938 0.015 1 467 89 89 VAL HG1 H -0.305 0.01 2 468 89 89 VAL HG2 H 0.686 0.01 2 469 89 89 VAL C C 177.69 0.15 1 470 89 89 VAL CA C 66.687 0.2 1 471 89 89 VAL CB C 32.969 0.3 1 472 89 89 VAL CG1 C 19.329 0.04 2 473 89 89 VAL CG2 C 22.509 0.04 2 474 89 89 VAL N N 123.175 0.03 1 475 90 90 GLU H H 7.966 0.015 1 476 90 90 GLU C C 178.946 0.15 1 477 90 90 GLU CA C 60.958 0.2 1 478 90 90 GLU CB C 30.189 0.3 1 479 90 90 GLU N N 118.257 0.03 1 480 91 91 ASN H H 8.467 0.015 1 481 91 91 ASN C C 178.296 0.15 1 482 91 91 ASN CA C 56.103 0.2 1 483 91 91 ASN CB C 39.977 0.3 1 484 91 91 ASN N N 115.154 0.03 1 485 92 92 MET H H 7.642 0.015 1 486 92 92 MET C C 178.287 0.15 1 487 92 92 MET CA C 58.997 0.2 1 488 92 92 MET CB C 33.345 0.3 1 489 92 92 MET N N 122.845 0.03 1 490 93 93 ILE H H 7.791 0.015 1 491 93 93 ILE HD1 H 0.541 0.01 1 492 93 93 ILE C C 177.741 0.15 1 493 93 93 ILE CA C 66.481 0.2 1 494 93 93 ILE CB C 40.01 0.3 1 495 93 93 ILE CD1 C 14.296 0.04 1 496 93 93 ILE N N 120.203 0.03 1 497 94 94 LYS H H 7.378 0.015 1 498 94 94 LYS C C 177.724 0.15 1 499 94 94 LYS CA C 59.245 0.2 1 500 94 94 LYS CB C 34.623 0.3 1 501 94 94 LYS N N 113.241 0.03 1 502 95 95 THR H H 7.998 0.015 1 503 95 95 THR C C 176.238 0.15 1 504 95 95 THR CA C 64.234 0.2 1 505 95 95 THR CB C 71.346 0.3 1 506 95 95 THR N N 109.341 0.03 1 507 96 96 GLU H H 8.094 0.015 1 508 96 96 GLU C C 175.829 0.15 1 509 96 96 GLU CA C 56.064 0.2 1 510 96 96 GLU CB C 31.465 0.3 1 511 96 96 GLU N N 120.034 0.03 1 512 97 97 LEU H H 7.441 0.015 1 513 97 97 LEU HD1 H 0.764 0.01 2 514 97 97 LEU HD2 H 0.848 0.01 2 515 97 97 LEU C C 175.766 0.15 1 516 97 97 LEU CA C 55.725 0.2 1 517 97 97 LEU CB C 38.009 0.3 1 518 97 97 LEU CD1 C 23.461 0.04 2 519 97 97 LEU CD2 C 25.815 0.04 2 520 97 97 LEU N N 117.644 0.03 1 521 98 98 VAL H H 6.247 0.015 1 522 98 98 VAL HG1 H 0.535 0.01 2 523 98 98 VAL HG2 H 0.707 0.01 2 524 98 98 VAL C C 174.232 0.15 1 525 98 98 VAL CA C 57.668 0.2 1 526 98 98 VAL CB C 35.408 0.3 1 527 98 98 VAL CG1 C 17.955 0.04 2 528 98 98 VAL CG2 C 21.977 0.04 2 529 98 98 VAL N N 107.804 0.03 1 530 99 99 THR H H 8.375 0.015 1 531 99 99 THR C C 176.914 0.15 1 532 99 99 THR CA C 60.905 0.2 1 533 99 99 THR CB C 72.352 0.3 1 534 99 99 THR N N 106.6 0.03 1 535 100 100 ALA H H 10.372 0.015 1 536 100 100 ALA C C 178.517 0.15 1 537 100 100 ALA CA C 55.175 0.2 1 538 100 100 ALA CB C 20.42 0.3 1 539 100 100 ALA N N 122.28 0.03 1 540 101 101 ASP H H 9.077 0.015 1 541 101 101 ASP C C 176.625 0.15 1 542 101 101 ASP CA C 56.273 0.2 1 543 101 101 ASP CB C 40.847 0.3 1 544 101 101 ASP N N 112.017 0.03 1 545 102 102 ASN H H 6.893 0.015 1 546 102 102 ASN C C 176.86 0.15 1 547 102 102 ASN CA C 55.092 0.2 1 548 102 102 ASN CB C 40.096 0.3 1 549 102 102 ASN N N 119.653 0.03 1 550 103 103 ALA H H 8.331 0.015 1 551 103 103 ALA C C 179.045 0.15 1 552 103 103 ALA CA C 55.059 0.2 1 553 103 103 ALA CB C 21.355 0.3 1 554 103 103 ALA N N 120.073 0.03 1 555 104 104 VAL H H 8.326 0.015 1 556 104 104 VAL HG1 H 0.896 0.01 2 557 104 104 VAL HG2 H 1.036 0.01 2 558 104 104 VAL C C 176.958 0.15 1 559 104 104 VAL CA C 66.716 0.2 1 560 104 104 VAL CB C 32.817 0.3 1 561 104 104 VAL CG1 C 22.179 0.04 2 562 104 104 VAL CG2 C 24.933 0.04 2 563 104 104 VAL N N 115.859 0.03 1 564 105 105 ASN H H 7.409 0.015 1 565 105 105 ASN C C 176.994 0.15 1 566 105 105 ASN CA C 57.433 0.2 1 567 105 105 ASN CB C 41.468 0.3 1 568 105 105 ASN N N 116.563 0.03 1 569 106 106 LYS H H 8.349 0.015 1 570 106 106 LYS C C 179.591 0.15 1 571 106 106 LYS CA C 59.427 0.2 1 572 106 106 LYS CB C 33.719 0.3 1 573 106 106 LYS N N 117.503 0.03 1 574 107 107 VAL H H 8.257 0.015 1 575 107 107 VAL HG1 H 0.846 0.01 2 576 107 107 VAL HG2 H 0.853 0.01 2 577 107 107 VAL C C 178.958 0.15 1 578 107 107 VAL CA C 66.547 0.2 1 579 107 107 VAL CB C 32.914 0.3 1 580 107 107 VAL CG1 C 21.187 0.04 2 581 107 107 VAL CG2 C 22.981 0.04 2 582 107 107 VAL N N 121.001 0.03 1 583 108 108 ILE H H 8.362 0.015 1 584 108 108 ILE HD1 H 0.691 0.01 1 585 108 108 ILE C C 177.898 0.15 1 586 108 108 ILE CA C 63.428 0.2 1 587 108 108 ILE CB C 36.253 0.3 1 588 108 108 ILE CD1 C 10.773 0.04 1 589 108 108 ILE N N 120.601 0.03 1 590 109 109 GLU H H 7.958 0.015 1 591 109 109 GLU C C 179.968 0.15 1 592 109 109 GLU CA C 59.321 0.2 1 593 109 109 GLU CB C 30.414 0.3 1 594 109 109 GLU N N 118.952 0.03 1 595 110 110 GLN H H 8.037 0.015 1 596 110 110 GLN C C 178.391 0.15 1 597 110 110 GLN CA C 58.794 0.2 1 598 110 110 GLN CB C 29.643 0.3 1 599 110 110 GLN N N 119.577 0.03 1 600 111 111 ASN H H 7.983 0.015 1 601 111 111 ASN C C 177.806 0.15 1 602 111 111 ASN CA C 56.098 0.2 1 603 111 111 ASN CB C 39.959 0.3 1 604 111 111 ASN N N 118.397 0.03 1 605 112 112 ALA H H 8.997 0.015 1 606 112 112 ALA C C 179.136 0.15 1 607 112 112 ALA CA C 55.21 0.2 1 608 112 112 ALA CB C 19.075 0.3 1 609 112 112 ALA N N 123.279 0.03 1 610 113 113 SER H H 7.818 0.015 1 611 113 113 SER C C 177.572 0.15 1 612 113 113 SER CA C 61.538 0.2 1 613 113 113 SER CB C 64.113 0.3 1 614 113 113 SER N N 112.655 0.03 1 615 114 114 VAL H H 7.254 0.015 1 616 114 114 VAL HG1 H 0.873 0.01 2 617 114 114 VAL HG2 H 1.033 0.01 2 618 114 114 VAL C C 179.188 0.15 1 619 114 114 VAL CA C 65.825 0.2 1 620 114 114 VAL CB C 32.884 0.3 1 621 114 114 VAL CG1 C 20.666 0.04 2 622 114 114 VAL CG2 C 22.107 0.04 2 623 114 114 VAL N N 122.312 0.03 1 624 115 115 MET H H 7.51 0.015 1 625 115 115 MET C C 177.843 0.15 1 626 115 115 MET CA C 59.405 0.2 1 627 115 115 MET CB C 34.843 0.3 1 628 115 115 MET N N 119.763 0.03 1 629 116 116 GLU H H 7.907 0.015 1 630 116 116 GLU C C 177.455 0.15 1 631 116 116 GLU CA C 58.028 0.2 1 632 116 116 GLU CB C 30.661 0.3 1 633 116 116 GLU N N 115.364 0.03 1 634 117 117 SER H H 7.522 0.015 1 635 117 117 SER C C 174.664 0.15 1 636 117 117 SER CA C 59.326 0.2 1 637 117 117 SER CB C 65.469 0.3 1 638 117 117 SER N N 114.642 0.03 1 639 118 118 LEU H H 6.914 0.015 1 640 118 118 LEU HD1 H 0.788 0.01 2 641 118 118 LEU HD2 H 0.858 0.01 2 642 118 118 LEU C C 177.102 0.15 1 643 118 118 LEU CA C 55.225 0.2 1 644 118 118 LEU CB C 43.778 0.3 1 645 118 118 LEU CD1 C 22.43 0.04 2 646 118 118 LEU CD2 C 25.691 0.04 2 647 118 118 LEU N N 122.028 0.03 1 648 119 119 ASN H H 8.386 0.015 1 649 119 119 ASN C C 174.11 0.15 1 650 119 119 ASN CA C 54.674 0.2 1 651 119 119 ASN CB C 36.007 0.3 1 652 119 119 ASN N N 120.621 0.03 1 653 120 120 ASP H H 7.481 0.015 1 654 120 120 ASP CA C 53.588 0.2 1 655 120 120 ASP CB C 45.499 0.3 1 656 120 120 ASP N N 119.464 0.03 1 657 121 121 GLU C C 178.042 0.15 1 658 121 121 GLU CA C 59.577 0.2 1 659 121 121 GLU CB C 30.637 0.3 1 660 122 122 TYR H H 7.997 0.015 1 661 122 122 TYR C C 178.297 0.15 1 662 122 122 TYR CA C 60.47 0.2 1 663 122 122 TYR CB C 38.829 0.3 1 664 122 122 TYR N N 119.824 0.03 1 665 123 123 LEU H H 7.798 0.015 1 666 123 123 LEU HD1 H 0.836 0.01 2 667 123 123 LEU HD2 H 0.883 0.01 2 668 123 123 LEU C C 178.968 0.15 1 669 123 123 LEU CA C 56.854 0.2 1 670 123 123 LEU CB C 42.436 0.3 1 671 123 123 LEU CD1 C 22.691 0.04 2 672 123 123 LEU CD2 C 26.374 0.04 2 673 123 123 LEU N N 120.702 0.03 1 674 124 124 LYS H H 7.749 0.015 1 675 124 124 LYS C C 179.316 0.15 1 676 124 124 LYS CA C 59.781 0.2 1 677 124 124 LYS CB C 33.173 0.3 1 678 124 124 LYS N N 119.349 0.03 1 679 125 125 GLU H H 7.356 0.015 1 680 125 125 GLU C C 178.91 0.15 1 681 125 125 GLU CA C 58.705 0.2 1 682 125 125 GLU CB C 30.155 0.3 1 683 125 125 GLU N N 118.697 0.03 1 684 126 126 ARG H H 7.615 0.015 1 685 126 126 ARG C C 177.938 0.15 1 686 126 126 ARG CA C 57.815 0.2 1 687 126 126 ARG CB C 31.201 0.3 1 688 126 126 ARG N N 119.652 0.03 1 689 127 127 ALA H H 7.734 0.015 1 690 127 127 ALA C C 179.332 0.15 1 691 127 127 ALA CA C 55.081 0.2 1 692 127 127 ALA CB C 20.118 0.3 1 693 127 127 ALA N N 122.409 0.03 1 694 128 128 VAL H H 7.088 0.015 1 695 128 128 VAL HG1 H 0.921 0.01 2 696 128 128 VAL HG2 H 1.033 0.01 2 697 128 128 VAL C C 178.842 0.15 1 698 128 128 VAL CA C 65.888 0.2 1 699 128 128 VAL CB C 32.792 0.3 1 700 128 128 VAL CG1 C 21.216 0.04 2 701 128 128 VAL CG2 C 22.107 0.04 2 702 128 128 VAL N N 117.963 0.03 1 703 129 129 ASP H H 7.26 0.015 1 704 129 129 ASP C C 177.658 0.15 1 705 129 129 ASP CA C 57.348 0.2 1 706 129 129 ASP CB C 41.874 0.3 1 707 129 129 ASP N N 121.176 0.03 1 708 130 130 LEU H H 8.266 0.015 1 709 130 130 LEU C C 178.788 0.15 1 710 130 130 LEU CA C 57.755 0.2 1 711 130 130 LEU CB C 42.706 0.3 1 712 130 130 LEU N N 120.496 0.03 1 713 131 131 ARG H H 7.69 0.015 1 714 131 131 ARG C C 178.945 0.15 1 715 131 131 ARG CA C 60.009 0.2 1 716 131 131 ARG CB C 30.704 0.3 1 717 131 131 ARG N N 117.895 0.03 1 718 132 132 ASP H H 7.763 0.015 1 719 132 132 ASP C C 179.292 0.15 1 720 132 132 ASP CA C 57.583 0.2 1 721 132 132 ASP CB C 42.739 0.3 1 722 132 132 ASP N N 121.839 0.03 1 723 133 133 VAL H H 8.174 0.015 1 724 133 133 VAL HG1 H 0.804 0.01 2 725 133 133 VAL HG2 H 0.933 0.01 2 726 133 133 VAL C C 178.348 0.15 1 727 133 133 VAL CA C 66.746 0.2 1 728 133 133 VAL CB C 32.954 0.3 1 729 133 133 VAL CG1 C 20.475 0.04 2 730 133 133 VAL CG2 C 23.564 0.04 2 731 133 133 VAL N N 121.365 0.03 1 732 134 134 GLY H H 8.734 0.015 1 733 134 134 GLY C C 174.978 0.15 1 734 134 134 GLY CA C 47.881 0.2 1 735 134 134 GLY N N 107.237 0.03 1 736 135 135 ASN H H 8.039 0.015 1 737 135 135 ASN C C 177.207 0.15 1 738 135 135 ASN CA C 56.514 0.2 1 739 135 135 ASN CB C 40.01 0.3 1 740 135 135 ASN N N 119.273 0.03 1 741 136 136 ARG H H 7.654 0.015 1 742 136 136 ARG C C 178.824 0.15 1 743 136 136 ARG CA C 59.168 0.2 1 744 136 136 ARG CB C 31.18 0.3 1 745 136 136 ARG N N 120.941 0.03 1 746 137 137 ILE H H 8.136 0.015 1 747 137 137 ILE HD1 H 0.853 0.01 1 748 137 137 ILE C C 178.711 0.15 1 749 137 137 ILE CA C 65.732 0.2 1 750 137 137 ILE CB C 39.187 0.3 1 751 137 137 ILE CD1 C 13.994 0.04 1 752 137 137 ILE N N 119.474 0.03 1 753 138 138 ILE H H 8.057 0.015 1 754 138 138 ILE HD1 H 0.799 0.01 1 755 138 138 ILE C C 178.127 0.15 1 756 138 138 ILE CA C 66.079 0.2 1 757 138 138 ILE CB C 38.775 0.3 1 758 138 138 ILE CD1 C 13.224 0.04 1 759 138 138 ILE N N 119.747 0.03 1 760 139 139 GLU H H 8.467 0.015 1 761 139 139 GLU C C 179.53 0.15 1 762 139 139 GLU CA C 60.619 0.2 1 763 139 139 GLU CB C 30.027 0.3 1 764 139 139 GLU N N 120.119 0.03 1 765 140 140 ASN H H 7.738 0.015 1 766 140 140 ASN C C 178.297 0.15 1 767 140 140 ASN CA C 55.89 0.2 1 768 140 140 ASN CB C 39.835 0.3 1 769 140 140 ASN N N 116.518 0.03 1 770 141 141 LEU H H 8.485 0.015 1 771 141 141 LEU HD1 H 0.827 0.01 2 772 141 141 LEU HD2 H 0.906 0.01 2 773 141 141 LEU C C 178.688 0.15 1 774 141 141 LEU CA C 57.695 0.2 1 775 141 141 LEU CB C 44.31 0.3 1 776 141 141 LEU CD1 C 25.299 0.04 2 777 141 141 LEU CD2 C 25.954 0.04 2 778 141 141 LEU N N 124.357 0.03 1 779 142 142 LEU H H 7.968 0.015 1 780 142 142 LEU C C 178.123 0.15 1 781 142 142 LEU CA C 55.077 0.2 1 782 142 142 LEU CB C 43.564 0.3 1 783 142 142 LEU N N 117.245 0.03 1 784 143 143 GLY H H 7.756 0.015 1 785 143 143 GLY C C 174.815 0.15 1 786 143 143 GLY CA C 46.448 0.2 1 787 143 143 GLY N N 109.293 0.03 1 788 144 144 VAL H H 7.549 0.015 1 789 144 144 VAL HG1 H 0.799 0.01 2 790 144 144 VAL HG2 H 0.818 0.01 2 791 144 144 VAL C C 174.87 0.15 1 792 144 144 VAL CA C 61.046 0.2 1 793 144 144 VAL CB C 34.628 0.3 1 794 144 144 VAL CG1 C 20.44 0.04 2 795 144 144 VAL CG2 C 20.962 0.04 2 796 144 144 VAL N N 118.558 0.03 1 797 145 145 LYS H H 7.913 0.015 1 798 145 145 LYS C C 176.323 0.15 1 799 145 145 LYS CA C 54.832 0.2 1 800 145 145 LYS CB C 34.379 0.3 1 801 145 145 LYS N N 124.665 0.03 1 802 146 146 SER H H 8.235 0.015 1 803 146 146 SER C C 174.697 0.15 1 804 146 146 SER CA C 57.884 0.2 1 805 146 146 SER CB C 65.576 0.3 1 806 146 146 SER N N 120.423 0.03 1 807 147 147 VAL H H 8.021 0.015 1 808 147 147 VAL HG1 H 1.061 0.01 2 809 147 147 VAL HG2 H 1.065 0.01 2 810 147 147 VAL C C 174.963 0.15 1 811 147 147 VAL CA C 62.275 0.2 1 812 147 147 VAL CB C 34.1 0.3 1 813 147 147 VAL CG1 C 20.547 0.04 2 814 147 147 VAL CG2 C 21.211 0.04 2 815 147 147 VAL N N 121.824 0.03 1 816 148 148 ASN H H 8.365 0.015 1 817 148 148 ASN C C 175.571 0.15 1 818 148 148 ASN CA C 52.43 0.2 1 819 148 148 ASN CB C 42.324 0.3 1 820 148 148 ASN N N 122.049 0.03 1 821 149 149 LEU H H 8.451 0.015 1 822 149 149 LEU HD1 H 0.367 0.01 2 823 149 149 LEU HD2 H 0.382 0.01 2 824 149 149 LEU C C 177.583 0.15 1 825 149 149 LEU CA C 55.376 0.2 1 826 149 149 LEU CB C 42.277 0.3 1 827 149 149 LEU CD1 C 23.454 0.04 2 828 149 149 LEU CD2 C 25.065 0.04 2 829 149 149 LEU N N 119.49 0.03 1 830 150 150 SER H H 8.234 0.015 1 831 150 150 SER C C 175.284 0.15 1 832 150 150 SER CA C 60 0.2 1 833 150 150 SER CB C 65.414 0.3 1 834 150 150 SER N N 115.742 0.03 1 835 151 151 ASP H H 7.582 0.015 1 836 151 151 ASP C C 175.653 0.15 1 837 151 151 ASP CA C 53.815 0.2 1 838 151 151 ASP CB C 42.492 0.3 1 839 151 151 ASP N N 121.106 0.03 1 840 152 152 LEU H H 6.159 0.015 1 841 152 152 LEU HD1 H 0.016 0.01 2 842 152 152 LEU HD2 H 0.474 0.01 2 843 152 152 LEU CA C 53.779 0.2 1 844 152 152 LEU CB C 44.732 0.3 1 845 152 152 LEU CD1 C 21.649 0.04 2 846 152 152 LEU CD2 C 25.766 0.04 2 847 152 152 LEU N N 118.171 0.03 1 848 153 153 GLU C C 175.208 0.15 1 849 153 153 GLU CA C 55.8 0.2 1 850 153 153 GLU CB C 32.798 0.3 1 851 154 154 GLU H H 7.436 0.015 1 852 154 154 GLU C C 173.488 0.15 1 853 154 154 GLU CA C 54.025 0.2 1 854 154 154 GLU CB C 33.689 0.3 1 855 154 154 GLU N N 118.185 0.03 1 856 155 155 GLU H H 8.089 0.015 1 857 155 155 GLU C C 178.076 0.15 1 858 155 155 GLU CA C 56.333 0.2 1 859 155 155 GLU CB C 30.72 0.3 1 860 155 155 GLU N N 119.319 0.03 1 861 156 156 VAL H H 8.465 0.015 1 862 156 156 VAL HG1 H 0.626 0.01 2 863 156 156 VAL HG2 H 0.812 0.01 2 864 156 156 VAL C C 175.643 0.15 1 865 156 156 VAL CA C 59.021 0.2 1 866 156 156 VAL CB C 38.641 0.3 1 867 156 156 VAL CG1 C 17.799 0.04 2 868 156 156 VAL CG2 C 22.212 0.04 2 869 156 156 VAL N N 115.509 0.03 1 870 157 157 VAL H H 8.501 0.015 1 871 157 157 VAL HG1 H 0.353 0.01 2 872 157 157 VAL HG2 H 0.399 0.01 2 873 157 157 VAL C C 175.315 0.15 1 874 157 157 VAL CA C 61.573 0.2 1 875 157 157 VAL CB C 33.693 0.3 1 876 157 157 VAL CG1 C 21.064 0.04 2 877 157 157 VAL CG2 C 21.363 0.04 2 878 157 157 VAL N N 121.381 0.03 1 879 158 158 VAL H H 7.954 0.015 1 880 158 158 VAL HG1 H 0.898 0.01 2 881 158 158 VAL HG2 H 0.982 0.01 2 882 158 158 VAL C C 173.457 0.15 1 883 158 158 VAL CA C 63.627 0.2 1 884 158 158 VAL CB C 33.588 0.3 1 885 158 158 VAL CG1 C 21.162 0.04 2 886 158 158 VAL CG2 C 23.062 0.04 2 887 158 158 VAL N N 128.35 0.03 1 888 159 159 ILE H H 8.806 0.015 1 889 159 159 ILE HD1 H 0.556 0.01 1 890 159 159 ILE C C 174.749 0.15 1 891 159 159 ILE CA C 57.759 0.2 1 892 159 159 ILE CB C 38.411 0.3 1 893 159 159 ILE CD1 C 11.815 0.04 1 894 159 159 ILE N N 129.953 0.03 1 895 160 160 ALA H H 8.141 0.015 1 896 160 160 ALA C C 175.916 0.15 1 897 160 160 ALA CA C 49.898 0.2 1 898 160 160 ALA CB C 25.752 0.3 1 899 160 160 ALA N N 126.491 0.03 1 900 161 161 ARG H H 8.979 0.015 1 901 161 161 ARG C C 175.387 0.15 1 902 161 161 ARG CA C 59.582 0.2 1 903 161 161 ARG CB C 30.852 0.3 1 904 161 161 ARG N N 122.815 0.03 1 905 162 162 ASP H H 7.192 0.015 1 906 162 162 ASP C C 174.331 0.15 1 907 162 162 ASP CA C 52.281 0.2 1 908 162 162 ASP CB C 45.15 0.3 1 909 162 162 ASP N N 110.675 0.03 1 910 163 163 LEU H H 7.579 0.015 1 911 163 163 LEU HD1 H 0.133 0.01 2 912 163 163 LEU C C 175.745 0.15 1 913 163 163 LEU CA C 53.838 0.2 1 914 163 163 LEU CB C 45.859 0.3 1 915 163 163 LEU CD1 C 25.4 0.04 2 916 163 163 LEU N N 119.652 0.03 1 917 164 164 THR H H 9.273 0.015 1 918 164 164 THR CA C 59.057 0.2 1 919 164 164 THR CB C 70.428 0.3 1 920 164 164 THR N N 115.343 0.03 1 921 166 166 SER C C 176.193 0.15 1 922 166 166 SER CA C 61.405 0.2 1 923 166 166 SER CB C 63.804 0.3 1 924 167 167 ASP H H 7.646 0.015 1 925 167 167 ASP C C 178.399 0.15 1 926 167 167 ASP CA C 57.18 0.2 1 927 167 167 ASP CB C 44.605 0.3 1 928 167 167 ASP N N 120.5 0.03 1 929 168 168 THR H H 7.633 0.015 1 930 168 168 THR C C 176.824 0.15 1 931 168 168 THR CA C 63.08 0.2 1 932 168 168 THR CB C 70.298 0.3 1 933 168 168 THR N N 106.68 0.03 1 934 169 169 ALA H H 7.54 0.015 1 935 169 169 ALA C C 177.844 0.15 1 936 169 169 ALA CA C 54.823 0.2 1 937 169 169 ALA CB C 20.662 0.3 1 938 169 169 ALA N N 124.106 0.03 1 939 170 170 THR H H 7.031 0.015 1 940 170 170 THR C C 174.5 0.15 1 941 170 170 THR CA C 59.715 0.2 1 942 170 170 THR CB C 70.394 0.3 1 943 170 170 THR N N 101.955 0.03 1 944 171 171 MET H H 6.85 0.015 1 945 171 171 MET C C 174.694 0.15 1 946 171 171 MET CA C 55.318 0.2 1 947 171 171 MET CB C 35.812 0.3 1 948 171 171 MET N N 120.253 0.03 1 949 172 172 LYS H H 7.372 0.015 1 950 172 172 LYS C C 176.07 0.15 1 951 172 172 LYS CA C 54.994 0.2 1 952 172 172 LYS CB C 31.865 0.3 1 953 172 172 LYS N N 125.459 0.03 1 954 173 173 LYS H H 7.786 0.015 1 955 173 173 LYS C C 177.184 0.15 1 956 173 173 LYS CA C 59.924 0.2 1 957 173 173 LYS CB C 33.445 0.3 1 958 173 173 LYS N N 127.133 0.03 1 959 174 174 GLU H H 9.562 0.015 1 960 174 174 GLU C C 176.997 0.15 1 961 174 174 GLU CA C 58.591 0.2 1 962 174 174 GLU CB C 29.698 0.3 1 963 174 174 GLU N N 118.895 0.03 1 964 175 175 MET H H 7.392 0.015 1 965 175 175 MET C C 174.166 0.15 1 966 175 175 MET CA C 53.568 0.2 1 967 175 175 MET CB C 34.412 0.3 1 968 175 175 MET N N 115.173 0.03 1 969 176 176 VAL H H 6.9 0.015 1 970 176 176 VAL HG1 H 0.339 0.01 2 971 176 176 VAL HG2 H 0.67 0.01 2 972 176 176 VAL C C 175.645 0.15 1 973 176 176 VAL CA C 62.308 0.2 1 974 176 176 VAL CB C 33.132 0.3 1 975 176 176 VAL CG1 C 20.652 0.04 2 976 176 176 VAL CG2 C 21.875 0.04 2 977 176 176 VAL N N 118.279 0.03 1 978 177 177 LEU H H 8.738 0.015 1 979 177 177 LEU HD1 H 0.674 0.01 2 980 177 177 LEU HD2 H 0.737 0.01 2 981 177 177 LEU C C 177.127 0.15 1 982 177 177 LEU CA C 54.665 0.2 1 983 177 177 LEU CB C 44.926 0.3 1 984 177 177 LEU CD1 C 21.554 0.04 2 985 177 177 LEU CD2 C 25.844 0.04 2 986 177 177 LEU N N 124.43 0.03 1 987 178 178 GLY H H 6.714 0.015 1 988 178 178 GLY C C 170.064 0.15 1 989 178 178 GLY CA C 44.636 0.2 1 990 178 178 GLY N N 99.917 0.03 1 991 179 179 PHE H H 7.856 0.015 1 992 179 179 PHE C C 174.863 0.15 1 993 179 179 PHE CA C 55.173 0.2 1 994 179 179 PHE CB C 45.752 0.3 1 995 179 179 PHE N N 115.661 0.03 1 996 180 180 ALA H H 8.524 0.015 1 997 180 180 ALA C C 176.424 0.15 1 998 180 180 ALA CA C 50.738 0.2 1 999 180 180 ALA CB C 22.378 0.3 1 1000 180 180 ALA N N 123.173 0.03 1 1001 181 181 THR H H 8.041 0.015 1 1002 181 181 THR C C 175.255 0.15 1 1003 181 181 THR CA C 58.234 0.2 1 1004 181 181 THR CB C 73.131 0.3 1 1005 181 181 THR N N 109.401 0.03 1 1006 182 182 ASP H H 7.683 0.015 1 1007 182 182 ASP C C 178.877 0.15 1 1008 182 182 ASP CA C 56.733 0.2 1 1009 182 182 ASP CB C 43.32 0.3 1 1010 182 182 ASP N N 120.116 0.03 1 1011 183 183 VAL H H 7.83 0.015 1 1012 183 183 VAL HG1 H 0.917 0.01 2 1013 183 183 VAL HG2 H 0.928 0.01 2 1014 183 183 VAL CA C 59.925 0.2 1 1015 183 183 VAL CB C 35.054 0.3 1 1016 183 183 VAL CG1 C 19.086 0.04 2 1017 183 183 VAL CG2 C 21.1 0.04 2 1018 183 183 VAL N N 113.397 0.03 1 1019 186 186 ILE HD1 H 0.732 0.01 1 1020 186 186 ILE CD1 C 13.42 0.04 1 1021 187 187 THR C C 173.918 0.15 1 1022 187 187 THR CA C 60.216 0.2 1 1023 187 187 THR CB C 69.525 0.3 1 1024 188 188 SER H H 7.18 0.015 1 1025 188 188 SER CA C 58.407 0.2 1 1026 188 188 SER CB C 66.117 0.3 1 1027 188 188 SER N N 117.443 0.03 1 1028 189 189 HIS C C 176.706 0.15 1 1029 189 189 HIS CA C 60.589 0.2 1 1030 189 189 HIS CB C 29.873 0.3 1 1031 190 190 THR H H 8.094 0.015 1 1032 190 190 THR C C 175.067 0.15 1 1033 190 190 THR CA C 66.927 0.2 1 1034 190 190 THR CB C 70.02 0.3 1 1035 190 190 THR N N 113.409 0.03 1 1036 191 191 ALA H H 6.858 0.015 1 1037 191 191 ALA C C 178.406 0.15 1 1038 191 191 ALA CA C 55.05 0.2 1 1039 191 191 ALA CB C 21.304 0.3 1 1040 191 191 ALA N N 121.615 0.03 1 1041 192 192 ILE H H 7.735 0.015 1 1042 192 192 ILE HD1 H 0.714 0.01 1 1043 192 192 ILE C C 179.913 0.15 1 1044 192 192 ILE CA C 64.272 0.2 1 1045 192 192 ILE CB C 39.079 0.3 1 1046 192 192 ILE CD1 C 12.535 0.04 1 1047 192 192 ILE N N 117.96 0.03 1 1048 193 193 MET H H 8.322 0.015 1 1049 193 193 MET C C 178.631 0.15 1 1050 193 193 MET CA C 56.706 0.2 1 1051 193 193 MET CB C 31.536 0.3 1 1052 193 193 MET N N 120.66 0.03 1 1053 194 194 ALA H H 8.2 0.015 1 1054 194 194 ALA C C 179.701 0.15 1 1055 194 194 ALA CA C 55.718 0.2 1 1056 194 194 ALA CB C 19.741 0.3 1 1057 194 194 ALA N N 122.417 0.03 1 1058 195 195 ARG H H 7.995 0.015 1 1059 195 195 ARG C C 180.695 0.15 1 1060 195 195 ARG CA C 59.609 0.2 1 1061 195 195 ARG CB C 31.549 0.3 1 1062 195 195 ARG N N 116.831 0.03 1 1063 196 196 SER H H 7.689 0.015 1 1064 196 196 SER C C 175.573 0.15 1 1065 196 196 SER CA C 61.376 0.2 1 1066 196 196 SER CB C 64.605 0.3 1 1067 196 196 SER N N 116.051 0.03 1 1068 197 197 LEU H H 7.528 0.015 1 1069 197 197 LEU HD1 H 0.755 0.01 2 1070 197 197 LEU HD2 H 0.836 0.01 2 1071 197 197 LEU C C 175.467 0.15 1 1072 197 197 LEU CA C 54.747 0.2 1 1073 197 197 LEU CB C 44.033 0.3 1 1074 197 197 LEU CD1 C 22.691 0.04 2 1075 197 197 LEU CD2 C 25.725 0.04 2 1076 197 197 LEU N N 120.838 0.03 1 1077 198 198 GLU H H 7.659 0.015 1 1078 198 198 GLU C C 175.714 0.15 1 1079 198 198 GLU CA C 57.253 0.2 1 1080 198 198 GLU CB C 28.025 0.3 1 1081 198 198 GLU N N 116.95 0.03 1 1082 199 199 ILE H H 7.813 0.015 1 1083 199 199 ILE HD1 H 0.248 0.01 1 1084 199 199 ILE CA C 57.734 0.2 1 1085 199 199 ILE CB C 41.008 0.3 1 1086 199 199 ILE CD1 C 13.417 0.04 1 1087 199 199 ILE N N 115.619 0.03 1 1088 200 200 PRO C C 176.287 0.15 1 1089 200 200 PRO CA C 61.815 0.2 1 1090 200 200 PRO CB C 33.897 0.3 1 1091 201 201 ALA H H 8.007 0.015 1 1092 201 201 ALA C C 175.798 0.15 1 1093 201 201 ALA CA C 50.866 0.2 1 1094 201 201 ALA CB C 23.561 0.3 1 1095 201 201 ALA N N 118.035 0.03 1 1096 202 202 VAL H H 7.836 0.015 1 1097 202 202 VAL HG1 H 0.609 0.01 2 1098 202 202 VAL HG2 H 0.763 0.01 2 1099 202 202 VAL C C 174.069 0.15 1 1100 202 202 VAL CA C 61.317 0.2 1 1101 202 202 VAL CB C 35.295 0.3 1 1102 202 202 VAL CG1 C 21.317 0.04 2 1103 202 202 VAL CG2 C 23.007 0.04 2 1104 202 202 VAL N N 123.598 0.03 1 1105 203 203 VAL H H 8.037 0.015 1 1106 203 203 VAL HG1 H 0.437 0.01 2 1107 203 203 VAL HG2 H 0.6 0.01 2 1108 203 203 VAL C C 176.466 0.15 1 1109 203 203 VAL CA C 57.479 0.2 1 1110 203 203 VAL CB C 35.291 0.3 1 1111 203 203 VAL CG1 C 17.758 0.04 2 1112 203 203 VAL CG2 C 20.004 0.04 2 1113 203 203 VAL N N 116.337 0.03 1 1114 204 204 GLY H H 6.512 0.015 1 1115 204 204 GLY C C 176.102 0.15 1 1116 204 204 GLY CA C 47.996 0.2 1 1117 204 204 GLY N N 106.156 0.03 1 1118 205 205 LEU H H 7.948 0.015 1 1119 205 205 LEU HD1 H 0.59 0.01 2 1120 205 205 LEU HD2 H 0.729 0.01 2 1121 205 205 LEU C C 178.348 0.15 1 1122 205 205 LEU CA C 56.791 0.2 1 1123 205 205 LEU CB C 44.349 0.3 1 1124 205 205 LEU CD1 C 24.729 0.04 2 1125 205 205 LEU CD2 C 27.361 0.04 2 1126 205 205 LEU N N 117.707 0.03 1 1127 206 206 GLY H H 9.952 0.015 1 1128 206 206 GLY C C 175.695 0.15 1 1129 206 206 GLY CA C 47.154 0.2 1 1130 206 206 GLY N N 113.125 0.03 1 1131 207 207 ASN H H 7.845 0.015 1 1132 207 207 ASN C C 178.071 0.15 1 1133 207 207 ASN CA C 52.333 0.2 1 1134 207 207 ASN CB C 39.332 0.3 1 1135 207 207 ASN N N 120.765 0.03 1 1136 208 208 VAL H H 7.604 0.015 1 1137 208 208 VAL HG1 H 0.728 0.01 2 1138 208 208 VAL HG2 H 0.788 0.01 2 1139 208 208 VAL C C 177.004 0.15 1 1140 208 208 VAL CA C 65.262 0.2 1 1141 208 208 VAL CB C 32.788 0.3 1 1142 208 208 VAL CG1 C 19.011 0.04 2 1143 208 208 VAL CG2 C 22.568 0.04 2 1144 208 208 VAL N N 123.916 0.03 1 1145 209 209 THR H H 9.115 0.015 1 1146 209 209 THR C C 175.825 0.15 1 1147 209 209 THR CA C 64.392 0.2 1 1148 209 209 THR CB C 70.573 0.3 1 1149 209 209 THR N N 113.134 0.03 1 1150 210 210 SER H H 7.046 0.015 1 1151 210 210 SER C C 174.91 0.15 1 1152 210 210 SER CA C 58.813 0.2 1 1153 210 210 SER CB C 65.566 0.3 1 1154 210 210 SER N N 113.33 0.03 1 1155 211 211 GLN H H 7.315 0.015 1 1156 211 211 GLN C C 174.312 0.15 1 1157 211 211 GLN CA C 55.993 0.2 1 1158 211 211 GLN CB C 31.837 0.3 1 1159 211 211 GLN N N 118.993 0.03 1 1160 212 212 VAL H H 6.923 0.015 1 1161 212 212 VAL HG1 H 0.713 0.01 2 1162 212 212 VAL C C 173.055 0.15 1 1163 212 212 VAL CA C 60.639 0.2 1 1164 212 212 VAL CB C 35.467 0.3 1 1165 212 212 VAL CG1 C 22.635 0.04 2 1166 212 212 VAL N N 118.11 0.03 1 1167 213 213 LYS H H 8.522 0.015 1 1168 213 213 LYS C C 175.999 0.15 1 1169 213 213 LYS CA C 53.465 0.2 1 1170 213 213 LYS CB C 35.272 0.3 1 1171 213 213 LYS N N 125.176 0.03 1 1172 214 214 ALA H H 8.129 0.015 1 1173 214 214 ALA C C 179.071 0.15 1 1174 214 214 ALA CA C 53.446 0.2 1 1175 214 214 ALA CB C 19.18 0.3 1 1176 214 214 ALA N N 123.045 0.03 1 1177 215 215 GLY H H 8.636 0.015 1 1178 215 215 GLY C C 174.394 0.15 1 1179 215 215 GLY CA C 45.218 0.2 1 1180 215 215 GLY N N 111.617 0.03 1 1181 216 216 ASP H H 7.835 0.015 1 1182 216 216 ASP C C 175.35 0.15 1 1183 216 216 ASP CA C 55.248 0.2 1 1184 216 216 ASP CB C 42.638 0.3 1 1185 216 216 ASP N N 122.276 0.03 1 1186 217 217 LEU H H 7.87 0.015 1 1187 217 217 LEU HD1 H 0.714 0.01 2 1188 217 217 LEU HD2 H 0.732 0.01 2 1189 217 217 LEU C C 175.668 0.15 1 1190 217 217 LEU CA C 54.634 0.2 1 1191 217 217 LEU CB C 43.969 0.3 1 1192 217 217 LEU CD1 C 22.974 0.04 2 1193 217 217 LEU CD2 C 25.268 0.04 2 1194 217 217 LEU N N 123.238 0.03 1 1195 218 218 VAL H H 8.847 0.015 1 1196 218 218 VAL HG1 H 0.652 0.01 2 1197 218 218 VAL HG2 H 0.669 0.01 2 1198 218 218 VAL C C 173.981 0.15 1 1199 218 218 VAL CA C 59.009 0.2 1 1200 218 218 VAL CB C 37.111 0.3 1 1201 218 218 VAL CG1 C 20.869 0.04 2 1202 218 218 VAL CG2 C 22.508 0.04 2 1203 218 218 VAL N N 122.302 0.03 1 1204 219 219 ILE H H 8.264 0.015 1 1205 219 219 ILE HD1 H 0.451 0.01 1 1206 219 219 ILE C C 175.572 0.15 1 1207 219 219 ILE CA C 59.409 0.2 1 1208 219 219 ILE CB C 41.648 0.3 1 1209 219 219 ILE CD1 C 14.643 0.04 1 1210 219 219 ILE N N 121.061 0.03 1 1211 220 220 VAL H H 8.953 0.015 1 1212 220 220 VAL HG1 H 0.599 0.01 2 1213 220 220 VAL HG2 H 0.681 0.01 2 1214 220 220 VAL C C 173.595 0.15 1 1215 220 220 VAL CA C 61.184 0.2 1 1216 220 220 VAL CB C 34.881 0.3 1 1217 220 220 VAL CG1 C 21.215 0.04 2 1218 220 220 VAL CG2 C 21.803 0.04 2 1219 220 220 VAL N N 126.331 0.03 1 1220 221 221 ASP H H 8.725 0.015 1 1221 221 221 ASP C C 177.183 0.15 1 1222 221 221 ASP CA C 52.125 0.2 1 1223 221 221 ASP CB C 42.405 0.3 1 1224 221 221 ASP N N 126.341 0.03 1 1225 222 222 GLY H H 8.931 0.015 1 1226 222 222 GLY C C 173.567 0.15 1 1227 222 222 GLY CA C 45.467 0.2 1 1228 222 222 GLY N N 112.504 0.03 1 1229 223 223 LEU H H 8.648 0.015 1 1230 223 223 LEU HD1 H 0.718 0.01 2 1231 223 223 LEU HD2 H 0.736 0.01 2 1232 223 223 LEU C C 178.78 0.15 1 1233 223 223 LEU CA C 56.666 0.2 1 1234 223 223 LEU CB C 41.962 0.3 1 1235 223 223 LEU CD1 C 23.506 0.04 2 1236 223 223 LEU CD2 C 24.434 0.04 2 1237 223 223 LEU N N 120.986 0.03 1 1238 224 224 GLU H H 7.936 0.015 1 1239 224 224 GLU C C 177.706 0.15 1 1240 224 224 GLU CA C 55.65 0.2 1 1241 224 224 GLU CB C 32.503 0.3 1 1242 224 224 GLU N N 117.029 0.03 1 1243 225 225 GLY H H 7.98 0.015 1 1244 225 225 GLY C C 172.445 0.15 1 1245 225 225 GLY CA C 46.86 0.2 1 1246 225 225 GLY N N 108.975 0.03 1 1247 226 226 ILE H H 7.685 0.015 1 1248 226 226 ILE HD1 H 0.789 0.01 1 1249 226 226 ILE C C 174.366 0.15 1 1250 226 226 ILE CA C 58.314 0.2 1 1251 226 226 ILE CB C 44.453 0.3 1 1252 226 226 ILE CD1 C 13.431 0.04 1 1253 226 226 ILE N N 116.311 0.03 1 1254 227 227 VAL H H 8.455 0.015 1 1255 227 227 VAL HG1 H 0.571 0.01 2 1256 227 227 VAL HG2 H 0.785 0.01 2 1257 227 227 VAL C C 174.523 0.15 1 1258 227 227 VAL CA C 60.056 0.2 1 1259 227 227 VAL CB C 36.562 0.3 1 1260 227 227 VAL CG1 C 20.317 0.04 2 1261 227 227 VAL CG2 C 23.319 0.04 2 1262 227 227 VAL N N 123.08 0.03 1 1263 228 228 ILE H H 8.552 0.015 1 1264 228 228 ILE HD1 H 0.625 0.01 1 1265 228 228 ILE C C 174.401 0.15 1 1266 228 228 ILE CA C 60.272 0.2 1 1267 228 228 ILE CB C 41.974 0.3 1 1268 228 228 ILE CD1 C 13.947 0.04 1 1269 228 228 ILE N N 126.445 0.03 1 1270 229 229 VAL H H 8.335 0.015 1 1271 229 229 VAL HG1 H 0.693 0.01 2 1272 229 229 VAL HG2 H 0.904 0.01 2 1273 229 229 VAL C C 175.03 0.15 1 1274 229 229 VAL CA C 61.383 0.2 1 1275 229 229 VAL CB C 34.027 0.3 1 1276 229 229 VAL CG1 C 21.275 0.04 2 1277 229 229 VAL CG2 C 21.524 0.04 2 1278 229 229 VAL N N 127.986 0.03 1 1279 230 230 ASN H H 9.435 0.015 1 1280 230 230 ASN CA C 54.299 0.2 1 1281 230 230 ASN CB C 39.092 0.3 1 1282 230 230 ASN N N 123.322 0.03 1 1283 231 231 PRO C C 176.105 0.15 1 1284 231 231 PRO CA C 61.566 0.2 1 1285 231 231 PRO CB C 33.394 0.3 1 1286 232 232 ASP H H 7.812 0.015 1 1287 232 232 ASP C C 176.048 0.15 1 1288 232 232 ASP CA C 52.56 0.2 1 1289 232 232 ASP CB C 42.683 0.3 1 1290 232 232 ASP N N 118.348 0.03 1 1291 233 233 GLU H H 8.395 0.015 1 1292 233 233 GLU C C 178.938 0.15 1 1293 233 233 GLU CA C 60.048 0.2 1 1294 233 233 GLU CB C 30.76 0.3 1 1295 233 233 GLU N N 119.38 0.03 1 1296 234 234 LYS H H 7.86 0.015 1 1297 234 234 LYS C C 178.716 0.15 1 1298 234 234 LYS CA C 58.729 0.2 1 1299 234 234 LYS CB C 32.533 0.3 1 1300 234 234 LYS N N 120.236 0.03 1 1301 235 235 THR H H 7.837 0.015 1 1302 235 235 THR C C 176.972 0.15 1 1303 235 235 THR CA C 66.948 0.2 1 1304 235 235 THR CB C 69.32 0.3 1 1305 235 235 THR N N 119.121 0.03 1 1306 236 236 VAL H H 7.942 0.015 1 1307 236 236 VAL HG1 H 0.834 0.01 2 1308 236 236 VAL HG2 H 0.853 0.01 2 1309 236 236 VAL C C 177.485 0.15 1 1310 236 236 VAL CA C 67.913 0.2 1 1311 236 236 VAL CB C 32.491 0.3 1 1312 236 236 VAL CG1 C 21.187 0.04 2 1313 236 236 VAL CG2 C 23.649 0.04 2 1314 236 236 VAL N N 121.557 0.03 1 1315 237 237 GLU H H 7.842 0.015 1 1316 237 237 GLU C C 179.748 0.15 1 1317 237 237 GLU CA C 59.565 0.2 1 1318 237 237 GLU CB C 30.326 0.3 1 1319 237 237 GLU N N 119.667 0.03 1 1320 238 238 ASP H H 8.181 0.015 1 1321 238 238 ASP C C 179.768 0.15 1 1322 238 238 ASP CA C 57.315 0.2 1 1323 238 238 ASP CB C 41.895 0.3 1 1324 238 238 ASP N N 121.201 0.03 1 1325 239 239 TYR H H 8.228 0.015 1 1326 239 239 TYR C C 178.676 0.15 1 1327 239 239 TYR CA C 63.711 0.2 1 1328 239 239 TYR CB C 39.185 0.3 1 1329 239 239 TYR N N 119.588 0.03 1 1330 240 240 LYS H H 8.821 0.015 1 1331 240 240 LYS C C 179.512 0.15 1 1332 240 240 LYS CA C 60.321 0.2 1 1333 240 240 LYS CB C 32.983 0.3 1 1334 240 240 LYS N N 122.909 0.03 1 1335 241 241 SER H H 7.616 0.015 1 1336 241 241 SER C C 177.249 0.15 1 1337 241 241 SER CA C 61.131 0.2 1 1338 241 241 SER CB C 64.062 0.3 1 1339 241 241 SER N N 115.076 0.03 1 1340 242 242 LYS H H 7.627 0.015 1 1341 242 242 LYS C C 178.674 0.15 1 1342 242 242 LYS CA C 59.128 0.2 1 1343 242 242 LYS CB C 33.867 0.3 1 1344 242 242 LYS N N 123.324 0.03 1 1345 243 243 LYS H H 8.191 0.015 1 1346 243 243 LYS C C 177.876 0.15 1 1347 243 243 LYS CA C 59.475 0.2 1 1348 243 243 LYS CB C 34.073 0.3 1 1349 243 243 LYS N N 120.971 0.03 1 1350 244 244 GLU H H 7.747 0.015 1 1351 244 244 GLU C C 178.323 0.15 1 1352 244 244 GLU CA C 58.311 0.2 1 1353 244 244 GLU CB C 30.764 0.3 1 1354 244 244 GLU N N 118.079 0.03 1 1355 245 245 SER H H 7.61 0.015 1 1356 245 245 SER C C 175.013 0.15 1 1357 245 245 SER CA C 59.901 0.2 1 1358 245 245 SER CB C 64.771 0.3 1 1359 245 245 SER N N 113.583 0.03 1 1360 246 246 TYR H H 7.604 0.015 1 1361 246 246 TYR C C 176.092 0.15 1 1362 246 246 TYR CA C 58.988 0.2 1 1363 246 246 TYR CB C 39.967 0.3 1 1364 246 246 TYR N N 121.828 0.03 1 1365 247 247 GLU H H 7.627 0.015 1 1366 247 247 GLU C C 175.46 0.15 1 1367 247 247 GLU CA C 56.488 0.2 1 1368 247 247 GLU CB C 31.243 0.3 1 1369 247 247 GLU N N 120.933 0.03 1 1370 248 248 LYS H H 7.307 0.015 1 1371 248 248 LYS CA C 57.693 0.2 1 1372 248 248 LYS CB C 34.6 0.3 1 1373 248 248 LYS N N 126.772 0.03 1 stop_ save_