data_5853 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequential 1H, 15N and 13C NMR assignment of human Calbindin D28k ; _BMRB_accession_number 5853 _BMRB_flat_file_name bmr5853.str _Entry_type original _Submission_date 2003-06-30 _Accession_date 2003-06-30 _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 Helgstrand Magnus . . 2 Vanbelle Christophe . . 3 Thulin Eva . . 4 Linse Sara . . 5 Akke Mikael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 240 "13C chemical shifts" 706 "15N chemical shifts" 240 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-11 original author . stop_ _Original_release_date 2004-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: Sequential 1H, 15N and 13C NMR assignment of human Calbindin D28k' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14752267 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Helgstrand Magnus . . 2 Vanbelle Christophe . . 3 Thulin Eva . . 4 Linse Sara . . 5 Akke Mikael . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 305 _Page_last 306 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_Calbindin_D28k _Saveframe_category molecular_system _Mol_system_name 'Calbindin D28k' _Abbreviation_common 'Calbindin D28k' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Calbindin D28k' $Calbindin_D28k 'CALCIUM (II) ION, 1' $CA 'CALCIUM (II) ION, 2' $CA 'CALCIUM (II) ION, 3' $CA 'CALCIUM (II) ION, 4' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Calbindin_D28k _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Calbindin D28k' _Abbreviation_common 'Calbindin D28k' _Molecular_mass . _Mol_thiol_state 'not present' _Details '6 EF-hands' ############################## # Polymer residue sequence # ############################## _Residue_count 261 _Mol_residue_sequence ; MEASHLQSSLITASQFFEIW LHFDADGSGYLEGKELQNLI QELQQARKKAGLELSPEMKT FVDQYGQRDDGKIGIVELAH VLPTEENFLLLFRSQQLKSS EEFMKTWRKYDTDHSGFIET EELKNFLKDLLEKANKTVDD TKLAEYTDLMLKLFDSNNDG KLELTEMARLLPVQENFLLK FEGIKMSGKEFNKAFELYDQ DGDGYIDENELDALLKDLSE KNKQDLDINNITTYKKNIMA LSDGGKLYRTDLALILSAGD N ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ALA 4 SER 5 HIS 6 LEU 7 GLN 8 SER 9 SER 10 LEU 11 ILE 12 THR 13 ALA 14 SER 15 GLN 16 PHE 17 PHE 18 GLU 19 ILE 20 TRP 21 LEU 22 HIS 23 PHE 24 ASP 25 ALA 26 ASP 27 GLY 28 SER 29 GLY 30 TYR 31 LEU 32 GLU 33 GLY 34 LYS 35 GLU 36 LEU 37 GLN 38 ASN 39 LEU 40 ILE 41 GLN 42 GLU 43 LEU 44 GLN 45 GLN 46 ALA 47 ARG 48 LYS 49 LYS 50 ALA 51 GLY 52 LEU 53 GLU 54 LEU 55 SER 56 PRO 57 GLU 58 MET 59 LYS 60 THR 61 PHE 62 VAL 63 ASP 64 GLN 65 TYR 66 GLY 67 GLN 68 ARG 69 ASP 70 ASP 71 GLY 72 LYS 73 ILE 74 GLY 75 ILE 76 VAL 77 GLU 78 LEU 79 ALA 80 HIS 81 VAL 82 LEU 83 PRO 84 THR 85 GLU 86 GLU 87 ASN 88 PHE 89 LEU 90 LEU 91 LEU 92 PHE 93 ARG 94 SER 95 GLN 96 GLN 97 LEU 98 LYS 99 SER 100 SER 101 GLU 102 GLU 103 PHE 104 MET 105 LYS 106 THR 107 TRP 108 ARG 109 LYS 110 TYR 111 ASP 112 THR 113 ASP 114 HIS 115 SER 116 GLY 117 PHE 118 ILE 119 GLU 120 THR 121 GLU 122 GLU 123 LEU 124 LYS 125 ASN 126 PHE 127 LEU 128 LYS 129 ASP 130 LEU 131 LEU 132 GLU 133 LYS 134 ALA 135 ASN 136 LYS 137 THR 138 VAL 139 ASP 140 ASP 141 THR 142 LYS 143 LEU 144 ALA 145 GLU 146 TYR 147 THR 148 ASP 149 LEU 150 MET 151 LEU 152 LYS 153 LEU 154 PHE 155 ASP 156 SER 157 ASN 158 ASN 159 ASP 160 GLY 161 LYS 162 LEU 163 GLU 164 LEU 165 THR 166 GLU 167 MET 168 ALA 169 ARG 170 LEU 171 LEU 172 PRO 173 VAL 174 GLN 175 GLU 176 ASN 177 PHE 178 LEU 179 LEU 180 LYS 181 PHE 182 GLU 183 GLY 184 ILE 185 LYS 186 MET 187 SER 188 GLY 189 LYS 190 GLU 191 PHE 192 ASN 193 LYS 194 ALA 195 PHE 196 GLU 197 LEU 198 TYR 199 ASP 200 GLN 201 ASP 202 GLY 203 ASP 204 GLY 205 TYR 206 ILE 207 ASP 208 GLU 209 ASN 210 GLU 211 LEU 212 ASP 213 ALA 214 LEU 215 LEU 216 LYS 217 ASP 218 LEU 219 SER 220 GLU 221 LYS 222 ASN 223 LYS 224 GLN 225 ASP 226 LEU 227 ASP 228 ILE 229 ASN 230 ASN 231 ILE 232 THR 233 THR 234 TYR 235 LYS 236 LYS 237 ASN 238 ILE 239 MET 240 ALA 241 LEU 242 SER 243 ASP 244 GLY 245 GLY 246 LYS 247 LEU 248 TYR 249 ARG 250 THR 251 ASP 252 LEU 253 ALA 254 LEU 255 ILE 256 LEU 257 SER 258 ALA 259 GLY 260 ASP 261 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 REF XP_004679800 "PREDICTED: calbindin [Condylura cristata]" 100.00 261 96.93 97.70 0.00e+00 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Calbindin_D28k 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 $Calbindin_D28k 'recombinant technology' . . . . . 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 $Calbindin_D28k 1.0 mM '[U-13C; U-15N]' CaCl2 11.0 mM . Mes-buffer 20.0 mM . EDTA 1.0 mM . NaN3 0.02 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calbindin_D28k 2.0 mM [U-15N] Mes-buffer 20.0 mM . CaCl2 11.0 mM . NaN3 0.02 % . stop_ save_ ############################ # Computer software used # ############################ save_NMR-Pipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data processing' stop_ _Details ; Delaglio et al. J. Biomol. NMR (1995), 6:277-293. ; save_ save_Ansig_for_Windows _Saveframe_category software _Name 'Ansig for Windows' _Version . loop_ _Task assignment stop_ _Details ; Helgstrand et al J Biomol NMR (2000), 18:329-336 The semiautomatic assignment approach built in to Ansig for Windows was used. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_(HA)CO(CA)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name (HA)CO(CA)NH _Sample_label . save_ save_C(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label . save_ save_H(CCO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label . save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Exp_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 323 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H2O C 13 protons ppm 4.534 internal indirect spherical internal parallel 0.25144952 H2O H 1 protons ppm 4.534 internal direct spherical internal parallel 1.0 H2O N 15 protons ppm 4.534 internal indirect spherical internal parallel 0.10132905 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_Shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Exp_condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Calbindin D28k' _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 . 5 HIS CA C 58.0410 0.1 1 2 . 5 HIS C C 177.2130 0.05 1 3 . 5 HIS CB C 31.1230 0.1 1 4 . 6 LEU H H 8.0430 0.01 1 5 . 6 LEU N N 115.9820 0.02 1 6 . 6 LEU CA C 56.5170 0.1 1 7 . 6 LEU C C 176.7440 0.05 1 8 . 6 LEU CB C 41.7390 0.1 1 9 . 7 GLN H H 7.6770 0.01 1 10 . 7 GLN N N 116.1560 0.02 1 11 . 7 GLN CA C 56.2830 0.1 1 12 . 7 GLN C C 174.9860 0.05 1 13 . 7 GLN CB C 29.3110 0.1 1 14 . 8 SER H H 7.3600 0.01 1 15 . 8 SER N N 114.0740 0.02 1 16 . 8 SER CA C 58.8610 0.1 1 17 . 8 SER C C 174.5020 0.05 1 18 . 8 SER CB C 64.5303 0.1 1 19 . 9 SER H H 8.5279 0.01 1 20 . 9 SER N N 118.9363 0.02 1 21 . 9 SER CA C 59.6820 0.1 1 22 . 9 SER C C 173.3450 0.05 1 23 . 9 SER CB C 64.2660 0.1 1 24 . 10 LEU H H 7.6650 0.01 1 25 . 10 LEU N N 123.2970 0.02 1 26 . 10 LEU CA C 55.5800 0.1 1 27 . 10 LEU C C 174.9860 0.05 1 28 . 10 LEU CB C 44.8460 0.1 1 29 . 11 ILE H H 8.6170 0.01 1 30 . 11 ILE N N 126.5210 0.02 1 31 . 11 ILE CA C 59.5640 0.1 1 32 . 11 ILE C C 175.9240 0.05 1 33 . 11 ILE CB C 39.9270 0.1 1 34 . 12 THR H H 8.5310 0.01 1 35 . 12 THR N N 118.3820 0.02 1 36 . 12 THR CA C 61.0880 0.1 1 37 . 12 THR C C 175.2200 0.05 1 38 . 12 THR CB C 71.2570 0.1 1 39 . 13 ALA H H 9.2390 0.01 1 40 . 13 ALA N N 124.0060 0.02 1 41 . 13 ALA CA C 56.1660 0.1 1 42 . 13 ALA C C 178.8530 0.05 1 43 . 13 ALA CB C 18.6950 0.1 1 44 . 14 SER H H 8.2260 0.01 1 45 . 14 SER N N 110.9220 0.02 1 46 . 14 SER CA C 62.0250 0.1 1 47 . 14 SER C C 177.4470 0.05 1 48 . 14 SER CB C 62.9710 0.1 1 49 . 15 GLN H H 7.3600 0.01 1 50 . 15 GLN N N 122.3290 0.02 1 51 . 15 GLN CA C 58.9780 0.1 1 52 . 15 GLN C C 177.9160 0.05 1 53 . 15 GLN CB C 29.5700 0.1 1 54 . 16 PHE H H 8.9340 0.01 1 55 . 16 PHE N N 121.3600 0.02 1 56 . 16 PHE CA C 62.4940 0.1 1 57 . 16 PHE C C 176.6190 0.05 1 58 . 16 PHE CB C 39.1500 0.1 1 59 . 17 PHE H H 8.1908 0.01 1 60 . 17 PHE N N 118.5638 0.02 1 61 . 17 PHE CA C 61.4390 0.1 1 62 . 18 GLU H H 7.5289 0.01 1 63 . 18 GLU N N 117.7753 0.02 1 64 . 18 GLU CA C 60.1536 0.1 1 65 . 18 GLU C C 180.0473 0.05 1 66 . 18 GLU CB C 29.8290 0.1 1 67 . 19 ILE H H 8.2510 0.01 1 68 . 19 ILE N N 121.5190 0.02 1 69 . 19 ILE CA C 65.7760 0.1 1 70 . 19 ILE C C 177.2130 0.05 1 71 . 19 ILE CB C 38.6320 0.1 1 72 . 20 TRP H H 8.5440 0.01 1 73 . 20 TRP N N 121.5620 0.02 1 74 . 20 TRP CA C 61.7910 0.1 1 75 . 20 TRP C C 177.1960 0.05 1 76 . 20 TRP CB C 28.7930 0.1 1 77 . 21 LEU H H 8.1040 0.01 1 78 . 21 LEU N N 115.7220 0.02 1 79 . 21 LEU CA C 57.1861 0.1 1 80 . 21 LEU C C 179.0880 0.05 1 81 . 21 LEU CB C 42.2140 0.1 1 82 . 22 HIS H H 7.4820 0.01 1 83 . 22 HIS N N 115.5340 0.02 1 84 . 22 HIS CA C 58.5100 0.1 1 85 . 22 HIS C C 176.2750 0.05 1 86 . 22 HIS CB C 29.5700 0.1 1 87 . 23 PHE H H 7.5300 0.01 1 88 . 23 PHE N N 113.7560 0.02 1 89 . 23 PHE CA C 61.2931 0.1 1 90 . 23 PHE C C 177.2130 0.05 1 91 . 23 PHE CB C 40.4450 0.1 1 92 . 24 ASP H H 8.1650 0.01 1 93 . 24 ASP N N 121.8370 0.02 1 94 . 24 ASP CA C 52.6500 0.1 1 95 . 24 ASP C C 177.9160 0.05 1 96 . 24 ASP CB C 36.5610 0.1 1 97 . 25 ALA H H 7.7140 0.01 1 98 . 25 ALA N N 128.7760 0.02 1 99 . 25 ALA CA C 54.8760 0.1 1 100 . 25 ALA C C 178.7360 0.05 1 101 . 25 ALA CB C 19.4720 0.1 1 102 . 26 ASP H H 8.1770 0.01 1 103 . 26 ASP N N 114.0020 0.02 1 104 . 26 ASP CA C 52.6500 0.1 1 105 . 26 ASP C C 178.0330 0.05 1 106 . 26 ASP CB C 40.4450 0.1 1 107 . 27 GLY H H 7.8840 0.01 1 108 . 27 GLY N N 109.9390 0.02 1 109 . 27 GLY CA C 47.3760 0.1 1 110 . 27 GLY C C 175.5720 0.05 1 111 . 28 SER H H 8.5560 0.01 1 112 . 28 SER N N 116.8060 0.02 1 113 . 28 SER CA C 60.1500 0.1 1 114 . 28 SER C C 175.9240 0.05 1 115 . 28 SER CB C 64.5250 0.1 1 116 . 29 GLY H H 10.5330 0.01 1 117 . 29 GLY N N 115.2880 0.02 1 118 . 29 GLY CA C 45.5010 0.1 1 119 . 30 TYR H H 8.1650 0.01 1 120 . 30 TYR N N 115.4330 0.02 1 121 . 30 TYR CA C 57.3380 0.1 1 122 . 30 TYR C C 176.6780 0.05 1 123 . 31 LEU H H 9.6490 0.01 1 124 . 31 LEU N N 125.1249 0.02 1 125 . 31 LEU CA C 53.4700 0.1 1 126 . 31 LEU C C 175.6890 0.05 1 127 . 31 LEU CB C 41.5637 0.1 1 128 . 32 GLU H H 8.1921 0.01 1 129 . 32 GLU N N 121.4722 0.02 1 130 . 32 GLU CA C 54.8760 0.1 1 131 . 32 GLU C C 178.1500 0.05 1 132 . 32 GLU CB C 31.5759 0.1 1 133 . 33 GLY H H 8.8850 0.01 1 134 . 33 GLY N N 110.3580 0.02 1 135 . 33 GLY CA C 48.1960 0.1 1 136 . 34 LYS CA C 58.9780 0.1 1 137 . 34 LYS C C 178.2691 0.05 1 138 . 34 LYS CB C 32.4180 0.1 1 139 . 35 GLU H H 8.0680 0.01 1 140 . 35 GLU N N 117.8330 0.02 1 141 . 35 GLU CA C 58.8610 0.1 1 142 . 35 GLU C C 179.5570 0.05 1 143 . 35 GLU CB C 31.1230 0.1 1 144 . 36 LEU H H 6.7860 0.01 1 145 . 36 LEU N N 118.1070 0.02 1 146 . 36 LEU CA C 57.1030 0.1 1 147 . 36 LEU C C 178.3350 0.05 1 148 . 36 LEU CB C 42.5160 0.1 1 149 . 37 GLN H H 7.6400 0.01 1 150 . 37 GLN N N 117.8760 0.02 1 151 . 37 GLN CA C 59.2130 0.1 1 152 . 37 GLN C C 178.7360 0.05 1 153 . 37 GLN CB C 28.2750 0.1 1 154 . 38 ASN H H 8.5310 0.01 1 155 . 38 ASN N N 119.2930 0.02 1 156 . 38 ASN CA C 56.2830 0.1 1 157 . 38 ASN C C 177.2130 0.05 1 158 . 38 ASN CB C 37.8550 0.1 1 159 . 39 LEU H H 7.6040 0.01 1 160 . 39 LEU N N 122.1700 0.02 1 161 . 39 LEU CA C 58.7440 0.1 1 162 . 39 LEU C C 177.7979 0.05 1 163 . 39 LEU CB C 40.4450 0.1 1 164 . 40 ILE H H 8.2364 0.01 1 165 . 40 ILE N N 119.9040 0.02 1 166 . 40 ILE CA C 66.8310 0.1 1 167 . 40 ILE C C 178.1500 0.05 1 168 . 40 ILE CB C 38.1140 0.1 1 169 . 41 GLN H H 8.2630 0.01 1 170 . 41 GLN N N 119.9140 0.02 1 171 . 41 GLN CA C 59.5640 0.1 1 172 . 41 GLN C C 179.0880 0.05 1 173 . 41 GLN CB C 28.7930 0.1 1 174 . 42 GLU H H 8.5440 0.01 1 175 . 42 GLU N N 120.3770 0.02 1 176 . 42 GLU CA C 60.2680 0.1 1 177 . 42 GLU C C 179.3220 0.05 1 178 . 42 GLU CB C 29.4664 0.1 1 179 . 43 LEU H H 9.1420 0.01 1 180 . 43 LEU N N 121.7210 0.02 1 181 . 43 LEU CA C 59.0960 0.1 1 182 . 43 LEU C C 178.2680 0.05 1 183 . 43 LEU CB C 42.7750 0.1 1 184 . 44 GLN H H 7.9330 0.01 1 185 . 44 GLN N N 115.7650 0.02 1 186 . 44 GLN CA C 60.1500 0.1 1 187 . 44 GLN C C 179.2050 0.05 1 188 . 44 GLN CB C 30.3470 0.1 1 189 . 45 GLN H H 8.1770 0.01 1 190 . 45 GLN N N 118.9890 0.02 1 191 . 45 GLN CA C 59.2130 0.1 1 192 . 45 GLN C C 178.2680 0.05 1 193 . 45 GLN CB C 29.0520 0.1 1 194 . 46 ALA H H 8.8490 0.01 1 195 . 46 ALA N N 122.7620 0.02 1 196 . 46 ALA CA C 55.4620 0.1 1 197 . 46 ALA C C 180.6110 0.05 1 198 . 46 ALA CB C 19.2130 0.1 1 199 . 47 ARG H H 7.9090 0.01 1 200 . 47 ARG N N 115.5340 0.02 1 201 . 47 ARG CA C 59.0960 0.1 1 202 . 47 ARG C C 178.0330 0.05 1 203 . 47 ARG CB C 28.2750 0.1 1 204 . 48 LYS H H 7.7380 0.01 1 205 . 48 LYS N N 119.7700 0.02 1 206 . 48 LYS CA C 59.6820 0.1 1 207 . 48 LYS C C 180.8460 0.05 1 208 . 48 LYS CB C 32.4180 0.1 1 209 . 49 LYS H H 8.2750 0.01 1 210 . 49 LYS N N 121.3020 0.02 1 211 . 49 LYS CA C 59.3300 0.1 1 212 . 49 LYS C C 177.9160 0.05 1 213 . 49 LYS CB C 32.6770 0.1 1 214 . 50 ALA H H 7.5166 0.01 1 215 . 50 ALA N N 119.3332 0.02 1 216 . 50 ALA CA C 52.2980 0.1 1 217 . 50 ALA C C 177.4470 0.05 1 218 . 50 ALA CB C 20.2490 0.1 1 219 . 51 GLY H H 7.9330 0.01 1 220 . 51 GLY N N 108.4360 0.02 1 221 . 51 GLY CA C 46.3210 0.1 1 222 . 51 GLY C C 174.4000 0.05 1 223 . 52 LEU H H 8.0430 0.01 1 224 . 52 LEU N N 120.6370 0.02 1 225 . 52 LEU CA C 53.3530 0.1 1 226 . 52 LEU C C 176.5100 0.05 1 227 . 52 LEU CB C 44.5880 0.1 1 228 . 53 GLU H H 8.3715 0.01 1 229 . 53 GLU N N 121.4578 0.02 1 230 . 53 GLU CA C 55.6970 0.1 1 231 . 53 GLU C C 177.9160 0.05 1 232 . 53 GLU CB C 31.1230 0.1 1 233 . 54 LEU H H 8.8240 0.01 1 234 . 54 LEU N N 124.0780 0.02 1 235 . 54 LEU CA C 56.1660 0.1 1 236 . 54 LEU C C 176.8229 0.05 1 237 . 54 LEU CB C 41.7390 0.1 1 238 . 55 SER H H 7.6400 0.01 1 239 . 55 SER N N 121.3890 0.02 1 240 . 55 SER CA C 57.1030 0.1 1 241 . 55 SER C C 172.6380 0.05 1 242 . 55 SER CB C 63.2300 0.1 1 243 . 56 PRO CA C 66.7130 0.1 1 244 . 56 PRO C C 179.5570 0.05 1 245 . 56 PRO CB C 31.9000 0.1 1 246 . 57 GLU H H 9.3980 0.01 1 247 . 57 GLU N N 117.8330 0.02 1 248 . 57 GLU CA C 60.7360 0.1 1 249 . 57 GLU C C 180.3770 0.05 1 250 . 57 GLU CB C 29.0520 0.1 1 251 . 58 MET H H 8.0190 0.01 1 252 . 58 MET N N 120.8830 0.02 1 253 . 58 MET CA C 59.7990 0.1 1 254 . 58 MET C C 177.5640 0.05 1 255 . 58 MET CB C 33.9720 0.1 1 256 . 59 LYS H H 8.8120 0.01 1 257 . 59 LYS N N 121.3460 0.02 1 258 . 59 LYS CA C 60.5020 0.1 1 259 . 59 LYS C C 178.8530 0.05 1 260 . 59 LYS CB C 32.4180 0.1 1 261 . 60 THR H H 8.2260 0.01 1 262 . 60 THR N N 115.9820 0.02 1 263 . 60 THR CA C 66.8310 0.1 1 264 . 60 THR C C 175.6890 0.05 1 265 . 60 THR CB C 69.1850 0.1 1 266 . 61 PHE H H 7.6650 0.01 1 267 . 61 PHE N N 123.5290 0.02 1 268 . 61 PHE CA C 61.5570 0.1 1 269 . 61 PHE C C 176.9780 0.05 1 270 . 61 PHE CB C 40.4450 0.1 1 271 . 62 VAL H H 8.6530 0.01 1 272 . 62 VAL N N 119.0760 0.02 1 273 . 62 VAL CA C 66.8310 0.1 1 274 . 62 VAL C C 179.2050 0.05 1 275 . 62 VAL CB C 31.6410 0.1 1 276 . 63 ASP H H 8.2870 0.01 1 277 . 63 ASP N N 121.9090 0.02 1 278 . 63 ASP CA C 57.5720 0.1 1 279 . 63 ASP C C 178.3850 0.05 1 280 . 63 ASP CB C 40.9630 0.1 1 281 . 64 GLN H H 8.2140 0.01 1 282 . 64 GLN N N 118.1070 0.02 1 283 . 64 GLN CA C 58.5100 0.1 1 284 . 64 GLN C C 178.2680 0.05 1 285 . 64 GLN CB C 29.3110 0.1 1 286 . 65 TYR H H 7.9940 0.01 1 287 . 65 TYR N N 114.3480 0.02 1 288 . 65 TYR CA C 59.9160 0.1 1 289 . 65 TYR C C 176.9780 0.05 1 290 . 65 TYR CB C 39.4377 0.1 1 291 . 66 GLY H H 8.2380 0.01 1 292 . 66 GLY N N 108.6670 0.02 1 293 . 66 GLY CA C 47.3760 0.1 1 294 . 67 GLN H H 8.1514 0.01 1 295 . 67 GLN N N 116.9140 0.02 1 296 . 67 GLN CA C 55.8140 0.1 1 297 . 67 GLN C C 175.3380 0.05 1 298 . 67 GLN CB C 28.7930 0.1 1 299 . 68 ARG H H 7.3230 0.01 1 300 . 68 ARG N N 118.7140 0.02 1 301 . 68 ARG CA C 55.3450 0.1 1 302 . 68 ARG C C 176.2630 0.05 1 303 . 68 ARG CB C 32.4180 0.1 1 304 . 69 ASP H H 8.6449 0.01 1 305 . 69 ASP N N 123.0790 0.02 1 306 . 69 ASP CA C 55.2280 0.1 1 307 . 69 ASP C C 176.6586 0.05 1 308 . 69 ASP CB C 41.4800 0.1 1 309 . 70 ASP H H 8.3850 0.01 1 310 . 70 ASP N N 118.5550 0.02 1 311 . 70 ASP CA C 53.2360 0.1 1 312 . 70 ASP C C 176.7440 0.05 1 313 . 70 ASP CB C 40.9630 0.1 1 314 . 71 GLY H H 8.1040 0.01 1 315 . 71 GLY N N 108.3340 0.02 1 316 . 71 GLY CA C 45.7795 0.1 1 317 . 71 GLY C C 172.6420 0.05 1 318 . 72 LYS H H 7.8223 0.01 1 319 . 72 LYS N N 120.9129 0.02 1 320 . 72 LYS CA C 56.2830 0.1 1 321 . 72 LYS C C 174.8690 0.05 1 322 . 72 LYS CB C 36.0430 0.1 1 323 . 73 ILE H H 8.6660 0.01 1 324 . 73 ILE N N 118.6280 0.02 1 325 . 73 ILE CA C 59.5640 0.1 1 326 . 73 ILE C C 174.6340 0.05 1 327 . 73 ILE CB C 42.7750 0.1 1 328 . 74 GLY H H 8.9340 0.01 1 329 . 74 GLY N N 113.0470 0.02 1 330 . 74 GLY CA C 44.5630 0.1 1 331 . 76 VAL CA C 66.5960 0.1 1 332 . 76 VAL C C 178.3252 0.05 1 333 . 77 GLU H H 8.1482 0.01 1 334 . 77 GLU N N 119.3752 0.02 1 335 . 77 GLU CA C 61.2050 0.1 1 336 . 77 GLU C C 180.1430 0.05 1 337 . 77 GLU CB C 29.5081 0.1 1 338 . 78 LEU H H 8.0430 0.01 1 339 . 78 LEU N N 119.5380 0.02 1 340 . 78 LEU CA C 57.5720 0.1 1 341 . 78 LEU C C 178.6190 0.05 1 342 . 78 LEU CB C 42.2140 0.1 1 343 . 79 ALA H H 8.6050 0.01 1 344 . 79 ALA N N 121.0130 0.02 1 345 . 79 ALA CA C 54.8760 0.1 1 346 . 79 ALA C C 177.4470 0.05 1 347 . 79 ALA CB C 17.6590 0.1 1 348 . 80 HIS H H 7.1640 0.01 1 349 . 80 HIS N N 110.9510 0.02 1 350 . 80 HIS CA C 58.9780 0.1 1 351 . 80 HIS C C 175.9240 0.05 1 352 . 80 HIS CB C 30.3470 0.1 1 353 . 81 VAL H H 7.4210 0.01 1 354 . 81 VAL N N 118.4540 0.02 1 355 . 81 VAL CA C 64.1350 0.1 1 356 . 81 VAL C C 175.5720 0.05 1 357 . 81 VAL CB C 33.1950 0.1 1 358 . 82 LEU H H 7.2620 0.01 1 359 . 82 LEU N N 118.1510 0.02 1 360 . 82 LEU CA C 52.5320 0.1 1 361 . 82 LEU C C 175.3310 0.05 1 362 . 82 LEU CB C 41.4800 0.1 1 363 . 84 THR CA C 62.1540 0.1 1 364 . 84 THR C C 174.9860 0.05 1 365 . 84 THR CB C 70.2210 0.1 1 366 . 85 GLU H H 8.3537 0.01 1 367 . 85 GLU N N 122.7426 0.02 1 368 . 85 GLU CA C 56.9848 0.1 1 369 . 85 GLU C C 177.2130 0.05 1 370 . 85 GLU CB C 30.8640 0.1 1 371 . 86 GLU H H 8.7390 0.01 1 372 . 86 GLU N N 126.2180 0.02 1 373 . 86 GLU CA C 60.2680 0.1 1 374 . 86 GLU C C 177.9210 0.05 1 375 . 86 GLU CB C 30.6060 0.1 1 376 . 87 ASN H H 8.7172 0.01 1 377 . 87 ASN N N 116.8351 0.02 1 378 . 87 ASN CA C 55.7864 0.1 1 379 . 87 ASN C C 178.5369 0.05 1 380 . 88 PHE H H 7.5670 0.01 1 381 . 88 PHE N N 119.7120 0.02 1 382 . 88 PHE CA C 59.5448 0.1 1 383 . 88 PHE C C 175.6890 0.05 1 384 . 89 LEU H H 7.7092 0.01 1 385 . 89 LEU N N 117.8693 0.02 1 386 . 89 LEU CA C 57.5720 0.1 1 387 . 89 LEU C C 178.8530 0.05 1 388 . 89 LEU CB C 41.8603 0.1 1 389 . 90 LEU H H 7.7620 0.01 1 390 . 90 LEU N N 116.8780 0.02 1 391 . 90 LEU CA C 57.9240 0.1 1 392 . 90 LEU C C 178.9050 0.05 1 393 . 90 LEU CB C 41.6960 0.1 1 394 . 91 LEU H H 7.1890 0.01 1 395 . 91 LEU N N 118.3240 0.02 1 396 . 91 LEU CA C 57.4550 0.1 1 397 . 91 LEU C C 177.1819 0.05 1 398 . 91 LEU CB C 40.9190 0.1 1 399 . 92 PHE H H 7.0300 0.01 1 400 . 92 PHE N N 113.0620 0.02 1 401 . 92 PHE CA C 57.8060 0.1 1 402 . 92 PHE CB C 38.8470 0.1 1 403 . 93 ARG H H 7.4570 0.01 1 404 . 93 ARG N N 118.6860 0.02 1 405 . 93 ARG CA C 56.1660 0.1 1 406 . 93 ARG C C 176.2750 0.05 1 407 . 93 ARG CB C 31.1230 0.1 1 408 . 94 SER H H 7.6961 0.01 1 409 . 94 SER N N 115.5821 0.02 1 410 . 94 SER CA C 59.3300 0.1 1 411 . 94 SER CB C 64.5250 0.1 1 412 . 95 GLN CB C 28.7480 0.1 1 413 . 96 GLN H H 8.3790 0.01 1 414 . 96 GLN N N 117.4074 0.02 1 415 . 96 GLN CA C 58.5280 0.1 1 416 . 96 GLN CB C 29.1450 0.1 1 417 . 97 LEU H H 7.3111 0.01 1 418 . 97 LEU N N 115.2132 0.02 1 419 . 97 LEU CA C 53.4700 0.1 1 420 . 97 LEU C C 176.6270 0.05 1 421 . 98 LYS H H 7.4080 0.01 1 422 . 98 LYS N N 116.4160 0.02 1 423 . 98 LYS CA C 57.4550 0.1 1 424 . 98 LYS C C 175.8060 0.05 1 425 . 98 LYS CB C 33.9720 0.1 1 426 . 99 SER H H 7.4210 0.01 1 427 . 99 SER N N 110.6760 0.02 1 428 . 99 SER CA C 55.9310 0.1 1 429 . 99 SER C C 175.0200 0.05 1 430 . 99 SER CB C 66.3370 0.1 1 431 . 100 SER H H 10.0248 0.01 1 432 . 100 SER N N 121.4636 0.02 1 433 . 100 SER CA C 63.1970 0.1 1 434 . 100 SER C C 176.1580 0.05 1 435 . 101 GLU H H 8.4808 0.01 1 436 . 101 GLU N N 123.4522 0.02 1 437 . 101 GLU CA C 60.7360 0.1 1 438 . 101 GLU C C 178.6190 0.05 1 439 . 101 GLU CB C 30.0880 0.1 1 440 . 102 GLU H H 7.6373 0.01 1 441 . 102 GLU N N 118.5812 0.02 1 442 . 102 GLU CA C 58.8610 0.1 1 443 . 102 GLU C C 180.0250 0.05 1 444 . 102 GLU CB C 29.8290 0.1 1 445 . 103 PHE H H 8.7150 0.01 1 446 . 103 PHE N N 123.1090 0.02 1 447 . 103 PHE CA C 62.1430 0.1 1 448 . 103 PHE C C 176.8610 0.05 1 449 . 103 PHE CB C 40.1860 0.1 1 450 . 104 MET H H 8.3480 0.01 1 451 . 104 MET N N 119.0760 0.02 1 452 . 104 MET CA C 57.4550 0.1 1 453 . 104 MET C C 178.6190 0.05 1 454 . 104 MET CB C 32.1458 0.1 1 455 . 105 LYS H H 7.6400 0.01 1 456 . 105 LYS N N 118.1800 0.02 1 457 . 105 LYS CA C 59.9160 0.1 1 458 . 105 LYS C C 179.6740 0.05 1 459 . 105 LYS CB C 32.6770 0.1 1 460 . 106 THR H H 8.3360 0.01 1 461 . 106 THR N N 120.4200 0.02 1 462 . 106 THR CA C 67.4170 0.1 1 463 . 106 THR C C 175.2200 0.05 1 464 . 106 THR CB C 68.6680 0.1 1 465 . 107 TRP H H 8.5190 0.01 1 466 . 107 TRP N N 124.0060 0.02 1 467 . 107 TRP CA C 61.6740 0.1 1 468 . 107 TRP C C 176.5100 0.05 1 469 . 107 TRP CB C 28.0160 0.1 1 470 . 108 ARG H H 7.5790 0.01 1 471 . 108 ARG N N 114.4930 0.02 1 472 . 108 ARG CA C 58.1580 0.1 1 473 . 108 ARG C C 178.1500 0.05 1 474 . 108 ARG CB C 30.3470 0.1 1 475 . 109 LYS H H 7.6400 0.01 1 476 . 109 LYS N N 118.4540 0.02 1 477 . 109 LYS CA C 58.6218 0.1 1 478 . 109 LYS C C 177.5640 0.05 1 479 . 109 LYS CB C 32.6770 0.1 1 480 . 110 TYR H H 7.5180 0.01 1 481 . 110 TYR N N 113.5390 0.02 1 482 . 110 TYR CA C 61.3220 0.1 1 483 . 110 TYR C C 176.7440 0.05 1 484 . 110 TYR CB C 38.6320 0.1 1 485 . 111 ASP H H 7.6006 0.01 1 486 . 111 ASP N N 121.4308 0.02 1 487 . 111 ASP CA C 52.6500 0.1 1 488 . 111 ASP C C 179.4390 0.05 1 489 . 111 ASP CB C 37.0790 0.1 1 490 . 112 THR H H 7.9940 0.01 1 491 . 112 THR N N 117.0810 0.02 1 492 . 112 THR CA C 65.0730 0.1 1 493 . 112 THR C C 176.0410 0.05 1 494 . 112 THR CB C 68.9260 0.1 1 495 . 113 ASP H H 8.0800 0.01 1 496 . 113 ASP N N 118.3100 0.02 1 497 . 113 ASP CA C 52.5320 0.1 1 498 . 113 ASP C C 176.3920 0.05 1 499 . 113 ASP CB C 39.8830 0.1 1 500 . 114 HIS H H 8.0070 0.01 1 501 . 114 HIS N N 117.5000 0.02 1 502 . 114 HIS CA C 56.7520 0.1 1 503 . 114 HIS C C 174.9860 0.05 1 504 . 114 HIS CB C 27.2400 0.1 1 505 . 115 SER H H 8.9460 0.01 1 506 . 115 SER N N 116.3000 0.02 1 507 . 115 SER CA C 59.5640 0.1 1 508 . 115 SER C C 176.3920 0.05 1 509 . 115 SER CB C 65.0430 0.1 1 510 . 116 GLY H H 10.0820 0.01 1 511 . 116 GLY N N 114.1890 0.02 1 512 . 116 GLY CA C 45.6180 0.1 1 513 . 116 GLY C C 171.3530 0.05 1 514 . 117 PHE H H 8.0680 0.01 1 515 . 117 PHE N N 114.7240 0.02 1 516 . 117 PHE CA C 55.8140 0.1 1 517 . 117 PHE C C 174.1660 0.05 1 518 . 117 PHE CB C 43.5520 0.1 1 519 . 118 ILE H H 9.6420 0.01 1 520 . 118 ILE N N 128.0250 0.02 1 521 . 118 ILE CA C 58.7440 0.1 1 522 . 118 ILE C C 176.9780 0.05 1 523 . 118 ILE CB C 36.2580 0.1 1 524 . 119 GLU H H 7.8840 0.01 1 525 . 119 GLU N N 127.2870 0.02 1 526 . 119 GLU CA C 57.8060 0.1 1 527 . 119 GLU C C 178.0330 0.05 1 528 . 119 GLU CB C 29.5700 0.1 1 529 . 120 THR H H 8.8240 0.01 1 530 . 120 THR N N 116.1560 0.02 1 531 . 120 THR CA C 68.7060 0.1 1 532 . 120 THR C C 176.1580 0.05 1 533 . 121 GLU H H 8.8980 0.01 1 534 . 121 GLU N N 119.4520 0.02 1 535 . 121 GLU CA C 60.2680 0.1 1 536 . 121 GLU C C 179.2050 0.05 1 537 . 121 GLU CB C 29.3110 0.1 1 538 . 122 GLU H H 7.0420 0.01 1 539 . 122 GLU N N 119.0330 0.02 1 540 . 122 GLU CA C 58.2750 0.1 1 541 . 122 GLU C C 179.3220 0.05 1 542 . 122 GLU CB C 30.0880 0.1 1 543 . 123 LEU H H 8.4340 0.01 1 544 . 123 LEU N N 122.7620 0.02 1 545 . 123 LEU CA C 57.5720 0.1 1 546 . 123 LEU C C 178.2680 0.05 1 547 . 123 LEU CB C 41.7390 0.1 1 548 . 124 LYS H H 8.3730 0.01 1 549 . 124 LYS N N 119.5820 0.02 1 550 . 124 LYS CA C 60.6190 0.1 1 551 . 124 LYS C C 178.2680 0.05 1 552 . 124 LYS CB C 32.6770 0.1 1 553 . 125 ASN H H 7.4820 0.01 1 554 . 125 ASN N N 117.5720 0.02 1 555 . 125 ASN CA C 56.5170 0.1 1 556 . 125 ASN C C 176.7440 0.05 1 557 . 125 ASN CB C 38.3730 0.1 1 558 . 126 PHE H H 7.9210 0.01 1 559 . 126 PHE N N 122.4440 0.02 1 560 . 126 PHE CA C 60.3850 0.1 1 561 . 126 PHE C C 176.5100 0.05 1 562 . 126 PHE CB C 38.0700 0.1 1 563 . 127 LEU H H 8.4580 0.01 1 564 . 127 LEU N N 119.3070 0.02 1 565 . 127 LEU CA C 57.8336 0.1 1 566 . 127 LEU C C 178.3850 0.05 1 567 . 127 LEU CB C 42.1548 0.1 1 568 . 128 LYS H H 8.5680 0.01 1 569 . 128 LYS N N 119.9720 0.02 1 570 . 128 LYS CA C 60.6190 0.1 1 571 . 128 LYS C C 178.6190 0.05 1 572 . 128 LYS CB C 32.6770 0.1 1 573 . 129 ASP H H 7.8720 0.01 1 574 . 129 ASP N N 119.4370 0.02 1 575 . 129 ASP CA C 57.3380 0.1 1 576 . 129 ASP C C 178.9710 0.05 1 577 . 129 ASP CB C 40.1860 0.1 1 578 . 130 LEU H H 7.8230 0.01 1 579 . 130 LEU N N 121.9240 0.02 1 580 . 130 LEU CA C 58.6270 0.1 1 581 . 130 LEU C C 180.2600 0.05 1 582 . 130 LEU CB C 42.2570 0.1 1 583 . 131 LEU H H 8.2312 0.01 1 584 . 131 LEU N N 120.3034 0.02 1 585 . 131 LEU CA C 58.3920 0.1 1 586 . 131 LEU C C 179.3220 0.05 1 587 . 131 LEU CB C 41.4800 0.1 1 588 . 132 GLU H H 8.4700 0.01 1 589 . 132 GLU N N 120.6370 0.02 1 590 . 132 GLU CA C 60.0330 0.1 1 591 . 132 GLU C C 181.3150 0.05 1 592 . 132 GLU CB C 29.5700 0.1 1 593 . 133 LYS H H 8.0680 0.01 1 594 . 133 LYS N N 121.1580 0.02 1 595 . 133 LYS CA C 58.6270 0.1 1 596 . 133 LYS C C 177.4470 0.05 1 597 . 133 LYS CB C 32.1590 0.1 1 598 . 134 ALA H H 7.3720 0.01 1 599 . 134 ALA N N 121.0850 0.02 1 600 . 134 ALA CA C 51.8290 0.1 1 601 . 134 ALA C C 176.2750 0.05 1 602 . 134 ALA CB C 19.4720 0.1 1 603 . 135 ASN H H 8.1040 0.01 1 604 . 135 ASN N N 114.9990 0.02 1 605 . 135 ASN CA C 54.5250 0.1 1 606 . 135 ASN C C 174.5170 0.05 1 607 . 135 ASN CB C 37.5970 0.1 1 608 . 136 LYS H H 8.0430 0.01 1 609 . 136 LYS N N 118.1510 0.02 1 610 . 136 LYS CA C 54.2900 0.1 1 611 . 136 LYS C C 175.8060 0.05 1 612 . 136 LYS CB C 33.7130 0.1 1 613 . 137 THR H H 8.1160 0.01 1 614 . 137 THR N N 117.0230 0.02 1 615 . 137 THR CA C 62.1430 0.1 1 616 . 137 THR C C 174.2830 0.05 1 617 . 137 THR CB C 70.2210 0.1 1 618 . 138 VAL H H 8.4950 0.01 1 619 . 138 VAL N N 122.8920 0.02 1 620 . 138 VAL CA C 60.8530 0.1 1 621 . 138 VAL C C 174.4000 0.05 1 622 . 138 VAL CB C 34.4890 0.1 1 623 . 139 ASP H H 7.9210 0.01 1 624 . 139 ASP N N 123.9330 0.02 1 625 . 139 ASP CA C 53.3530 0.1 1 626 . 139 ASP C C 176.2120 0.05 1 627 . 139 ASP CB C 42.7750 0.1 1 628 . 140 ASP H H 8.6222 0.01 1 629 . 140 ASP N N 121.0085 0.02 1 630 . 140 ASP CA C 58.3920 0.1 1 631 . 140 ASP C C 179.0880 0.05 1 632 . 140 ASP CB C 41.2210 0.1 1 633 . 141 THR H H 8.2870 0.01 1 634 . 141 THR N N 117.0810 0.02 1 635 . 141 THR CA C 66.3620 0.1 1 636 . 141 THR C C 176.9780 0.05 1 637 . 141 THR CB C 68.6680 0.1 1 638 . 142 LYS H H 8.0800 0.01 1 639 . 142 LYS N N 125.0180 0.02 1 640 . 142 LYS CA C 57.8060 0.1 1 641 . 142 LYS C C 178.3850 0.05 1 642 . 142 LYS CB C 31.6410 0.1 1 643 . 143 LEU H H 8.2990 0.01 1 644 . 143 LEU N N 119.3070 0.02 1 645 . 143 LEU CA C 58.3920 0.1 1 646 . 143 LEU C C 180.1430 0.05 1 647 . 143 LEU CB C 41.9980 0.1 1 648 . 144 ALA H H 8.0550 0.01 1 649 . 144 ALA N N 123.9620 0.02 1 650 . 144 ALA CA C 55.6970 0.1 1 651 . 144 ALA C C 179.7910 0.05 1 652 . 144 ALA CB C 17.9180 0.1 1 653 . 145 GLU H H 7.7441 0.01 1 654 . 145 GLU N N 121.1338 0.02 1 655 . 145 GLU CA C 59.6820 0.1 1 656 . 145 GLU C C 179.7910 0.05 1 657 . 145 GLU CB C 29.8290 0.1 1 658 . 146 TYR H H 8.6290 0.01 1 659 . 146 TYR N N 118.9170 0.02 1 660 . 146 TYR C C 179.0339 0.05 1 661 . 152 LYS CA C 59.9160 0.1 1 662 . 152 LYS C C 179.2050 0.05 1 663 . 153 LEU H H 8.1355 0.01 1 664 . 153 LEU N N 116.8939 0.02 1 665 . 153 LEU CA C 57.6890 0.1 1 666 . 153 LEU C C 178.7360 0.05 1 667 . 153 LEU CB C 43.0340 0.1 1 668 . 154 PHE H H 7.8360 0.01 1 669 . 154 PHE N N 112.5700 0.02 1 670 . 154 PHE CA C 58.7440 0.1 1 671 . 154 PHE C C 176.6270 0.05 1 672 . 154 PHE CB C 40.4450 0.1 1 673 . 155 ASP H H 8.4580 0.01 1 674 . 155 ASP N N 120.4640 0.02 1 675 . 155 ASP CA C 53.4700 0.1 1 676 . 155 ASP C C 177.7990 0.05 1 677 . 155 ASP CB C 39.6240 0.1 1 678 . 156 SER H H 8.4340 0.01 1 679 . 156 SER N N 123.5000 0.02 1 680 . 156 SER CA C 61.2050 0.1 1 681 . 156 SER C C 175.3380 0.05 1 682 . 156 SER CB C 64.0070 0.1 1 683 . 157 ASN H H 8.0190 0.01 1 684 . 157 ASN N N 115.8660 0.02 1 685 . 157 ASN CA C 51.8290 0.1 1 686 . 157 ASN C C 175.3380 0.05 1 687 . 157 ASN CB C 37.5970 0.1 1 688 . 158 ASN H H 7.8720 0.01 1 689 . 158 ASN N N 115.6790 0.02 1 690 . 158 ASN CA C 55.3450 0.1 1 691 . 158 ASN C C 174.5170 0.05 1 692 . 158 ASN CB C 38.1140 0.1 1 693 . 159 ASP H H 8.3970 0.01 1 694 . 159 ASP N N 117.8180 0.02 1 695 . 159 ASP CA C 53.3530 0.1 1 696 . 159 ASP C C 178.3850 0.05 1 697 . 159 ASP CB C 40.9630 0.1 1 698 . 160 GLY H H 10.5820 0.01 1 699 . 160 GLY N N 113.3800 0.02 1 700 . 160 GLY CA C 46.3210 0.1 1 701 . 160 GLY C C 172.7590 0.05 1 702 . 161 LYS H H 7.9580 0.01 1 703 . 161 LYS N N 115.9530 0.02 1 704 . 161 LYS CA C 54.0560 0.1 1 705 . 161 LYS C C 174.6340 0.05 1 706 . 161 LYS CB C 36.5610 0.1 1 707 . 162 LEU H H 8.9710 0.01 1 708 . 162 LEU N N 123.2110 0.02 1 709 . 162 LEU CA C 53.5870 0.1 1 710 . 162 LEU C C 176.5100 0.05 1 711 . 162 LEU CB C 43.5520 0.1 1 712 . 163 GLU H H 9.1660 0.01 1 713 . 163 GLU N N 123.2830 0.02 1 714 . 163 GLU CA C 54.7590 0.1 1 715 . 163 GLU C C 177.0960 0.05 1 716 . 163 GLU CB C 32.6320 0.1 1 717 . 164 LEU H H 9.0320 0.01 1 718 . 164 LEU N N 127.6490 0.02 1 719 . 164 LEU CA C 60.0330 0.1 1 720 . 164 LEU C C 178.6190 0.05 1 721 . 164 LEU CB C 41.9980 0.1 1 722 . 165 THR H H 8.2260 0.01 1 723 . 165 THR N N 106.6430 0.02 1 724 . 165 THR CA C 65.4240 0.1 1 725 . 165 THR C C 176.9780 0.05 1 726 . 165 THR CB C 68.6680 0.1 1 727 . 166 GLU H H 6.9810 0.01 1 728 . 166 GLU N N 119.9870 0.02 1 729 . 166 GLU CA C 58.5100 0.1 1 730 . 166 GLU C C 178.6460 0.05 1 731 . 166 GLU CB C 30.4704 0.1 1 732 . 167 MET H H 8.2582 0.01 1 733 . 167 MET N N 118.2470 0.02 1 734 . 167 MET CA C 58.1580 0.1 1 735 . 167 MET C C 176.8610 0.05 1 736 . 167 MET CB C 33.1950 0.1 1 737 . 168 ALA H H 8.1770 0.01 1 738 . 168 ALA N N 118.5120 0.02 1 739 . 168 ALA CA C 53.9390 0.1 1 740 . 168 ALA C C 177.6820 0.05 1 741 . 168 ALA CB C 17.9180 0.1 1 742 . 169 ARG H H 7.1150 0.01 1 743 . 169 ARG N N 117.2110 0.02 1 744 . 169 ARG CA C 58.3920 0.1 1 745 . 169 ARG C C 175.7970 0.05 1 746 . 169 ARG CB C 30.0880 0.1 1 747 . 172 PRO CA C 63.1970 0.1 1 748 . 172 PRO CB C 32.3730 0.1 1 749 . 173 VAL H H 9.5301 0.01 1 750 . 173 VAL N N 126.6891 0.02 1 751 . 173 VAL CA C 66.8310 0.1 1 752 . 173 VAL C C 178.3850 0.05 1 753 . 173 VAL CB C 31.9773 0.1 1 754 . 174 GLN H H 8.7201 0.01 1 755 . 174 GLN N N 117.5986 0.02 1 756 . 174 GLN CA C 58.2750 0.1 1 757 . 174 GLN C C 177.0960 0.05 1 758 . 174 GLN CB C 28.2750 0.1 1 759 . 175 GLU H H 7.7380 0.01 1 760 . 175 GLU N N 116.6330 0.02 1 761 . 175 GLU CA C 55.3450 0.1 1 762 . 175 GLU C C 176.7632 0.05 1 763 . 175 GLU CB C 31.6410 0.1 1 764 . 176 ASN H H 7.5670 0.01 1 765 . 176 ASN N N 117.4710 0.02 1 766 . 176 ASN CA C 52.5320 0.1 1 767 . 176 ASN C C 176.6270 0.05 1 768 . 176 ASN CB C 36.5610 0.1 1 769 . 177 PHE H H 8.1040 0.01 1 770 . 177 PHE N N 126.7810 0.02 1 771 . 177 PHE CA C 58.8610 0.1 1 772 . 177 PHE C C 175.5720 0.05 1 773 . 177 PHE CB C 38.6320 0.1 1 774 . 178 LEU H H 7.3268 0.01 1 775 . 178 LEU N N 121.0951 0.02 1 776 . 178 LEU CA C 57.2200 0.1 1 777 . 178 LEU C C 180.1430 0.05 1 778 . 178 LEU CB C 39.8539 0.1 1 779 . 179 LEU H H 7.1280 0.01 1 780 . 179 LEU N N 119.3070 0.02 1 781 . 179 LEU CA C 57.3380 0.1 1 782 . 179 LEU C C 179.5570 0.05 1 783 . 179 LEU CB C 41.7390 0.1 1 784 . 180 LYS H H 7.4210 0.01 1 785 . 180 LYS N N 116.7340 0.02 1 786 . 180 LYS CA C 57.2666 0.1 1 787 . 180 LYS C C 177.0960 0.05 1 788 . 180 LYS CB C 31.3820 0.1 1 789 . 181 PHE H H 7.4080 0.01 1 790 . 181 PHE N N 115.8230 0.02 1 791 . 181 PHE CA C 58.5100 0.1 1 792 . 181 PHE C C 176.7440 0.05 1 793 . 181 PHE CB C 39.6680 0.1 1 794 . 182 GLU H H 7.4034 0.01 1 795 . 182 GLU N N 121.0781 0.02 1 796 . 182 GLU CA C 60.0330 0.1 1 797 . 182 GLU C C 178.1500 0.05 1 798 . 182 GLU CB C 30.0880 0.1 1 799 . 183 GLY H H 8.4220 0.01 1 800 . 183 GLY N N 105.5010 0.02 1 801 . 183 GLY CA C 45.9690 0.1 1 802 . 183 GLY C C 174.6340 0.05 1 803 . 184 ILE H H 7.3230 0.01 1 804 . 184 ILE N N 114.4500 0.02 1 805 . 184 ILE CA C 60.3850 0.1 1 806 . 184 ILE C C 174.8690 0.05 1 807 . 184 ILE CB C 38.8910 0.1 1 808 . 185 LYS H H 7.1150 0.01 1 809 . 185 LYS N N 120.4490 0.02 1 810 . 185 LYS CA C 57.6890 0.1 1 811 . 185 LYS C C 176.5100 0.05 1 812 . 185 LYS CB C 33.7130 0.1 1 813 . 186 MET H H 8.6170 0.01 1 814 . 186 MET N N 122.2850 0.02 1 815 . 186 MET CA C 54.9940 0.1 1 816 . 186 MET C C 175.9240 0.05 1 817 . 186 MET CB C 37.8550 0.1 1 818 . 187 SER H H 8.7630 0.01 1 819 . 187 SER N N 117.7170 0.02 1 820 . 187 SER CA C 58.3920 0.1 1 821 . 187 SER C C 175.2200 0.05 1 822 . 187 SER CB C 65.0430 0.1 1 823 . 188 GLY H H 8.9710 0.01 1 824 . 188 GLY N N 111.5290 0.02 1 825 . 188 GLY CA C 48.5480 0.1 1 826 . 188 GLY C C 176.7440 0.05 1 827 . 189 LYS H H 8.5437 0.01 1 828 . 189 LYS N N 121.4503 0.02 1 829 . 189 LYS CA C 59.7990 0.1 1 830 . 189 LYS C C 179.7910 0.05 1 831 . 189 LYS CB C 32.6770 0.1 1 832 . 190 GLU H H 7.7260 0.01 1 833 . 190 GLU N N 120.7380 0.02 1 834 . 190 GLU CA C 59.2130 0.1 1 835 . 190 GLU C C 179.2050 0.05 1 836 . 190 GLU CB C 30.0880 0.1 1 837 . 191 PHE H H 9.3980 0.01 1 838 . 191 PHE N N 122.8200 0.02 1 839 . 191 PHE CA C 62.0250 0.1 1 840 . 191 PHE C C 176.3896 0.05 1 841 . 191 PHE CB C 39.1500 0.1 1 842 . 192 ASN H H 8.3716 0.01 1 843 . 192 ASN N N 118.5441 0.02 1 844 . 192 ASN CA C 56.9860 0.1 1 845 . 192 ASN C C 177.7990 0.05 1 846 . 192 ASN CB C 38.3730 0.1 1 847 . 193 LYS H H 7.3470 0.01 1 848 . 193 LYS N N 119.0900 0.02 1 849 . 193 LYS CA C 58.9780 0.1 1 850 . 193 LYS C C 178.5020 0.05 1 851 . 193 LYS CB C 32.4523 0.1 1 852 . 194 ALA H H 8.2140 0.01 1 853 . 194 ALA N N 123.3410 0.02 1 854 . 194 ALA CA C 55.1110 0.1 1 855 . 194 ALA C C 178.8530 0.05 1 856 . 194 ALA CB C 17.6590 0.1 1 857 . 195 PHE H H 8.7150 0.01 1 858 . 195 PHE N N 119.0180 0.02 1 859 . 195 PHE CA C 63.0800 0.1 1 860 . 195 PHE C C 176.1580 0.05 1 861 . 195 PHE CB C 39.1500 0.1 1 862 . 196 GLU H H 7.2740 0.01 1 863 . 196 GLU N N 113.7990 0.02 1 864 . 196 GLU CA C 58.9780 0.1 1 865 . 196 GLU C C 178.5020 0.05 1 866 . 196 GLU CB C 29.8290 0.1 1 867 . 197 LEU H H 7.5430 0.01 1 868 . 197 LEU N N 119.3360 0.02 1 869 . 197 LEU CA C 57.3380 0.1 1 870 . 197 LEU C C 178.9710 0.05 1 871 . 197 LEU CB C 42.2570 0.1 1 872 . 198 TYR H H 7.8268 0.01 1 873 . 198 TYR N N 115.6085 0.02 1 874 . 198 TYR CA C 60.1500 0.1 1 875 . 198 TYR C C 176.0410 0.05 1 876 . 198 TYR CB C 38.0772 0.1 1 877 . 199 ASP H H 7.4940 0.01 1 878 . 199 ASP N N 120.6660 0.02 1 879 . 199 ASP CA C 53.0010 0.1 1 880 . 199 ASP C C 177.0960 0.05 1 881 . 199 ASP CB C 38.3730 0.1 1 882 . 200 GLN H H 7.9450 0.01 1 883 . 200 GLN N N 126.3620 0.02 1 884 . 200 GLN CA C 58.9780 0.1 1 885 . 200 GLN C C 177.7990 0.05 1 886 . 200 GLN CB C 29.5700 0.1 1 887 . 201 ASP H H 8.3120 0.01 1 888 . 201 ASP N N 115.4910 0.02 1 889 . 201 ASP CA C 53.1180 0.1 1 890 . 201 ASP C C 177.9160 0.05 1 891 . 201 ASP CB C 39.9270 0.1 1 892 . 202 GLY H H 7.6160 0.01 1 893 . 202 GLY N N 110.1700 0.02 1 894 . 202 GLY CA C 47.6100 0.1 1 895 . 202 GLY C C 175.3380 0.05 1 896 . 203 ASP H H 8.4700 0.01 1 897 . 203 ASP N N 120.8690 0.02 1 898 . 203 ASP CA C 54.2900 0.1 1 899 . 203 ASP C C 177.0960 0.05 1 900 . 203 ASP CB C 40.9190 0.1 1 901 . 204 GLY H H 10.5210 0.01 1 902 . 204 GLY N N 113.7560 0.02 1 903 . 204 GLY CA C 45.6180 0.1 1 904 . 204 GLY C C 172.6420 0.05 1 905 . 205 TYR H H 8.2750 0.01 1 906 . 205 TYR N N 118.1070 0.02 1 907 . 205 TYR CA C 56.0480 0.1 1 908 . 205 TYR C C 175.3380 0.05 1 909 . 205 TYR CB C 42.7750 0.1 1 910 . 206 ILE H H 9.2760 0.01 1 911 . 206 ILE N N 125.5240 0.02 1 912 . 206 ILE CA C 57.8060 0.1 1 913 . 206 ILE C C 175.5720 0.05 1 914 . 206 ILE CB C 38.6320 0.1 1 915 . 207 ASP H H 9.2030 0.01 1 916 . 207 ASP N N 129.4410 0.02 1 917 . 207 ASP CA C 52.0640 0.1 1 918 . 207 ASP C C 176.2750 0.05 1 919 . 207 ASP CB C 41.9980 0.1 1 920 . 208 GLU H H 8.6290 0.01 1 921 . 208 GLU N N 117.1820 0.02 1 922 . 208 GLU CA C 60.9710 0.1 1 923 . 208 GLU C C 178.0330 0.05 1 924 . 208 GLU CB C 30.0880 0.1 1 925 . 209 ASN H H 8.0992 0.01 1 926 . 209 ASN N N 118.3324 0.02 1 927 . 209 ASN CA C 56.4000 0.1 1 928 . 209 ASN C C 178.9710 0.05 1 929 . 209 ASN CB C 38.8910 0.1 1 930 . 210 GLU H H 8.8240 0.01 1 931 . 210 GLU N N 124.7140 0.02 1 932 . 210 GLU CA C 58.9780 0.1 1 933 . 210 GLU C C 179.4390 0.05 1 934 . 210 GLU CB C 30.0880 0.1 1 935 . 211 LEU H H 9.0320 0.01 1 936 . 211 LEU N N 121.3750 0.02 1 937 . 211 LEU CA C 57.4550 0.1 1 938 . 211 LEU C C 178.1500 0.05 1 939 . 211 LEU CB C 41.7390 0.1 1 940 . 212 ASP H H 8.0310 0.01 1 941 . 212 ASP N N 120.0300 0.02 1 942 . 212 ASP CA C 58.6270 0.1 1 943 . 212 ASP C C 177.7990 0.05 1 944 . 212 ASP CB C 42.2570 0.1 1 945 . 213 ALA H H 7.3110 0.01 1 946 . 213 ALA N N 120.1890 0.02 1 947 . 213 ALA CA C 55.4620 0.1 1 948 . 213 ALA C C 179.6740 0.05 1 949 . 213 ALA CB C 18.6950 0.1 1 950 . 214 LEU H H 7.7140 0.01 1 951 . 214 LEU N N 121.5480 0.02 1 952 . 214 LEU CA C 58.7440 0.1 1 953 . 214 LEU C C 178.6190 0.05 1 954 . 214 LEU CB C 41.7390 0.1 1 955 . 215 LEU H H 8.7510 0.01 1 956 . 215 LEU N N 118.7000 0.02 1 957 . 215 LEU CA C 58.0410 0.1 1 958 . 215 LEU C C 179.6740 0.05 1 959 . 215 LEU CB C 41.9980 0.1 1 960 . 216 LYS H H 8.2440 0.01 1 961 . 216 LYS N N 121.4839 0.02 1 962 . 216 LYS CA C 60.6190 0.1 1 963 . 216 LYS C C 179.0880 0.05 1 964 . 216 LYS CB C 32.2755 0.1 1 965 . 217 ASP H H 7.8695 0.01 1 966 . 217 ASP N N 121.1243 0.02 1 967 . 217 ASP CA C 57.8060 0.1 1 968 . 217 ASP C C 179.3220 0.05 1 969 . 217 ASP CB C 40.9630 0.1 1 970 . 218 LEU H H 8.5070 0.01 1 971 . 218 LEU N N 119.1340 0.02 1 972 . 218 LEU CA C 58.0361 0.1 1 973 . 218 LEU C C 179.9080 0.05 1 974 . 218 LEU CB C 42.5160 0.1 1 975 . 219 SER H H 8.2510 0.01 1 976 . 219 SER N N 115.0710 0.02 1 977 . 219 SER CA C 61.9080 0.1 1 978 . 219 SER C C 175.9139 0.05 1 979 . 219 SER CB C 63.4890 0.1 1 980 . 220 GLU H H 7.7990 0.01 1 981 . 220 GLU N N 120.9120 0.02 1 982 . 220 GLU CA C 58.8610 0.1 1 983 . 220 GLU C C 178.8530 0.05 1 984 . 220 GLU CB C 30.0880 0.1 1 985 . 221 LYS H H 7.7990 0.01 1 986 . 221 LYS N N 117.8610 0.02 1 987 . 221 LYS CA C 58.1580 0.1 1 988 . 221 LYS C C 177.0960 0.05 1 989 . 221 LYS CB C 33.7130 0.1 1 990 . 222 ASN H H 7.6890 0.01 1 991 . 222 ASN N N 118.4250 0.02 1 992 . 222 ASN CA C 53.1180 0.1 1 993 . 222 ASN C C 175.1030 0.05 1 994 . 222 ASN CB C 39.9270 0.1 1 995 . 223 LYS H H 7.8480 0.01 1 996 . 223 LYS N N 120.5500 0.02 1 997 . 223 LYS CA C 58.6270 0.1 1 998 . 223 LYS C C 177.2130 0.05 1 999 . 223 LYS CB C 32.4180 0.1 1 1000 . 224 GLN H H 8.3349 0.01 1 1001 . 224 GLN N N 117.4152 0.02 1 1002 . 224 GLN CA C 56.9860 0.1 1 1003 . 224 GLN C C 176.1580 0.05 1 1004 . 224 GLN CB C 29.3110 0.1 1 1005 . 225 ASP H H 7.8480 0.01 1 1006 . 225 ASP N N 119.1770 0.02 1 1007 . 225 ASP CA C 55.5800 0.1 1 1008 . 225 ASP C C 175.7611 0.05 1 1009 . 225 ASP CB C 42.7750 0.1 1 1010 . 226 LEU H H 7.7994 0.01 1 1011 . 226 LEU N N 121.2504 0.02 1 1012 . 226 LEU CA C 54.6420 0.1 1 1013 . 226 LEU C C 175.4550 0.05 1 1014 . 226 LEU CB C 43.2930 0.1 1 1015 . 227 ASP H H 8.2140 0.01 1 1016 . 227 ASP N N 122.2270 0.02 1 1017 . 227 ASP CA C 53.9390 0.1 1 1018 . 227 ASP C C 177.4470 0.05 1 1019 . 227 ASP CB C 41.9980 0.1 1 1020 . 228 ILE H H 8.3240 0.01 1 1021 . 228 ILE N N 124.0350 0.02 1 1022 . 228 ILE CA C 62.6110 0.1 1 1023 . 228 ILE C C 176.8730 0.05 1 1024 . 228 ILE CB C 38.6320 0.1 1 1025 . 229 ASN H H 8.5135 0.01 1 1026 . 229 ASN N N 120.3763 0.02 1 1027 . 229 ASN CA C 55.3450 0.1 1 1028 . 229 ASN C C 176.1600 0.05 1 1029 . 229 ASN CB C 38.5880 0.1 1 1030 . 230 ASN H H 8.1676 0.01 1 1031 . 230 ASN N N 118.2835 0.02 1 1032 . 230 ASN CA C 53.3549 0.1 1 1033 . 230 ASN C C 176.2750 0.05 1 1034 . 230 ASN CB C 39.6198 0.1 1 1035 . 231 ILE H H 7.7500 0.01 1 1036 . 231 ILE N N 120.0730 0.02 1 1037 . 231 ILE CA C 65.0730 0.1 1 1038 . 231 ILE C C 177.0960 0.05 1 1039 . 231 ILE CB C 38.1140 0.1 1 1040 . 232 THR H H 8.1650 0.01 1 1041 . 232 THR N N 115.3600 0.02 1 1042 . 232 THR CA C 66.5960 0.1 1 1043 . 232 THR C C 176.6270 0.05 1 1044 . 232 THR CB C 68.4090 0.1 1 1045 . 233 THR H H 7.4820 0.01 1 1046 . 233 THR N N 118.7430 0.02 1 1047 . 233 THR CA C 66.0100 0.1 1 1048 . 233 THR C C 176.0410 0.05 1 1049 . 233 THR CB C 68.6280 0.1 1 1050 . 234 TYR H H 7.7123 0.01 1 1051 . 234 TYR N N 121.1338 0.02 1 1052 . 234 TYR CA C 59.0960 0.1 1 1053 . 234 TYR C C 177.3300 0.05 1 1054 . 234 TYR CB C 37.3380 0.1 1 1055 . 235 LYS H H 8.3480 0.01 1 1056 . 235 LYS N N 119.4520 0.02 1 1057 . 235 LYS CA C 60.9710 0.1 1 1058 . 235 LYS C C 177.5640 0.05 1 1059 . 235 LYS CB C 32.4180 0.1 1 1060 . 236 LYS H H 7.9940 0.01 1 1061 . 236 LYS N N 118.5120 0.02 1 1062 . 236 LYS CA C 59.6820 0.1 1 1063 . 236 LYS C C 178.9710 0.05 1 1064 . 236 LYS CB C 32.1590 0.1 1 1065 . 237 ASN H H 7.7140 0.01 1 1066 . 237 ASN N N 117.5150 0.02 1 1067 . 237 ASN CA C 56.6340 0.1 1 1068 . 237 ASN C C 176.1580 0.05 1 1069 . 237 ASN CB C 38.6320 0.1 1 1070 . 238 ILE H H 7.9090 0.01 1 1071 . 238 ILE N N 118.1070 0.02 1 1072 . 238 ILE CA C 65.7760 0.1 1 1073 . 238 ILE C C 177.8435 0.05 1 1074 . 238 ILE CB C 38.3290 0.1 1 1075 . 239 MET H H 8.3850 0.01 1 1076 . 239 MET N N 115.5340 0.02 1 1077 . 239 MET CA C 56.4000 0.1 1 1078 . 239 MET C C 179.3220 0.05 1 1079 . 239 MET CB C 30.2513 0.1 1 1080 . 240 ALA H H 7.4820 0.01 1 1081 . 240 ALA N N 124.7570 0.02 1 1082 . 240 ALA CA C 54.7590 0.1 1 1083 . 240 ALA C C 178.1500 0.05 1 1084 . 240 ALA CB C 18.6950 0.1 1 1085 . 241 LEU H H 7.7750 0.01 1 1086 . 241 LEU N N 115.8090 0.02 1 1087 . 241 LEU CA C 55.6970 0.1 1 1088 . 241 LEU C C 177.2130 0.05 1 1089 . 241 LEU CB C 43.0340 0.1 1 1090 . 242 SER H H 7.8360 0.01 1 1091 . 242 SER N N 114.7100 0.02 1 1092 . 242 SER CA C 58.7440 0.1 1 1093 . 242 SER C C 173.3450 0.05 1 1094 . 242 SER CB C 65.8190 0.1 1 1095 . 243 ASP H H 8.6530 0.01 1 1096 . 243 ASP N N 121.6200 0.02 1 1097 . 243 ASP CA C 53.8220 0.1 1 1098 . 243 ASP C C 177.5060 0.05 1 1099 . 243 ASP CB C 42.2570 0.1 1 1100 . 244 GLY H H 8.6734 0.01 1 1101 . 244 GLY N N 113.0406 0.02 1 1102 . 244 GLY CA C 46.9070 0.1 1 1103 . 244 GLY C C 175.5720 0.05 1 1104 . 245 GLY H H 8.1160 0.01 1 1105 . 245 GLY N N 106.3100 0.02 1 1106 . 245 GLY CA C 45.5010 0.1 1 1107 . 245 GLY C C 173.3450 0.05 1 1108 . 246 LYS H H 7.3720 0.01 1 1109 . 246 LYS N N 117.3560 0.02 1 1110 . 246 LYS CA C 55.3450 0.1 1 1111 . 246 LYS C C 175.1030 0.05 1 1112 . 246 LYS CB C 35.2660 0.1 1 1113 . 247 LEU H H 9.2390 0.01 1 1114 . 247 LEU N N 124.7570 0.02 1 1115 . 247 LEU CA C 54.4080 0.1 1 1116 . 247 LEU C C 176.7440 0.05 1 1117 . 247 LEU CB C 44.3290 0.1 1 1118 . 248 TYR H H 9.6023 0.01 1 1119 . 248 TYR N N 125.0559 0.02 1 1120 . 248 TYR CA C 57.3380 0.1 1 1121 . 248 TYR C C 177.6820 0.05 1 1122 . 248 TYR CB C 39.4090 0.1 1 1123 . 249 ARG H H 7.9820 0.01 1 1124 . 249 ARG N N 125.3790 0.02 1 1125 . 249 ARG CA C 60.8530 0.1 1 1126 . 249 ARG C C 177.6820 0.05 1 1127 . 249 ARG CB C 30.6060 0.1 1 1128 . 250 THR H H 7.1760 0.01 1 1129 . 250 THR N N 107.2210 0.02 1 1130 . 250 THR CA C 64.7210 0.1 1 1131 . 250 THR C C 176.1580 0.05 1 1132 . 250 THR CB C 68.6680 0.1 1 1133 . 251 ASP H H 7.1150 0.01 1 1134 . 251 ASP N N 121.0560 0.02 1 1135 . 251 ASP CA C 57.2200 0.1 1 1136 . 251 ASP C C 177.0960 0.05 1 1137 . 251 ASP CB C 41.9980 0.1 1 1138 . 252 LEU H H 7.5550 0.01 1 1139 . 252 LEU N N 117.2400 0.02 1 1140 . 252 LEU CA C 56.8690 0.1 1 1141 . 252 LEU C C 179.0880 0.05 1 1142 . 252 LEU CB C 42.2570 0.1 1 1143 . 253 ALA H H 8.3310 0.01 1 1144 . 253 ALA N N 122.8229 0.02 1 1145 . 253 ALA CA C 54.6420 0.1 1 1146 . 253 ALA C C 179.0880 0.05 1 1147 . 253 ALA CB C 18.1770 0.1 1 1148 . 254 LEU H H 7.1030 0.01 1 1149 . 254 LEU N N 115.7070 0.02 1 1150 . 254 LEU CA C 57.4550 0.1 1 1151 . 254 LEU C C 178.0330 0.05 1 1152 . 254 LEU CB C 42.7750 0.1 1 1153 . 255 ILE H H 6.8830 0.01 1 1154 . 255 ILE N N 112.8310 0.02 1 1155 . 255 ILE CA C 61.6740 0.1 1 1156 . 255 ILE C C 176.0410 0.05 1 1157 . 255 ILE CB C 39.4090 0.1 1 1158 . 256 LEU H H 7.4330 0.01 1 1159 . 256 LEU N N 114.5360 0.02 1 1160 . 256 LEU CA C 55.2280 0.1 1 1161 . 256 LEU C C 176.0410 0.05 1 1162 . 256 LEU CB C 45.3640 0.1 1 1163 . 257 SER H H 7.9330 0.01 1 1164 . 257 SER N N 113.9150 0.02 1 1165 . 257 SER CA C 56.4000 0.1 1 1166 . 257 SER C C 174.6340 0.05 1 1167 . 257 SER CB C 65.5600 0.1 1 1168 . 258 ALA H H 8.9100 0.01 1 1169 . 258 ALA N N 128.3280 0.02 1 1170 . 258 ALA CA C 52.2980 0.1 1 1171 . 258 ALA C C 178.0330 0.05 1 1172 . 258 ALA CB C 19.7310 0.1 1 1173 . 259 GLY H H 8.3360 0.01 1 1174 . 259 GLY N N 107.7270 0.02 1 1175 . 259 GLY CA C 45.5010 0.1 1 1176 . 259 GLY C C 173.9310 0.05 1 1177 . 260 ASP H H 8.4201 0.01 1 1178 . 260 ASP N N 121.4529 0.02 1 1179 . 260 ASP CA C 54.6420 0.1 1 1180 . 260 ASP C C 175.3380 0.05 1 1181 . 260 ASP CB C 41.7390 0.1 1 1182 . 261 ASN H H 8.0070 0.01 1 1183 . 261 ASN N N 124.5550 0.02 1 1184 . 261 ASN CA C 55.2030 0.1 1 1185 . 261 ASN C C 179.4750 0.05 1 1186 . 261 ASN CB C 41.2273 0.1 1 stop_ save_