data_16864 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence Specific 1H, 13C and 15N backbone resonance assignments of uvi31+ from Chlamydomonas reinhardtii ; _BMRB_accession_number 16864 _BMRB_flat_file_name bmr16864.str _Entry_type original _Submission_date 2010-04-14 _Accession_date 2010-04-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Resonance assignment, uvi31+, NMR, Chlamydomonas reinhardtii' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rout Ashok K. . 2 Minda Renu . . 3 Peri Dinakar . . 4 Bhattacharya S . . 5 Rao Basuthkar J. . 6 Chary Kandala V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 418 "13C chemical shifts" 401 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-17 update author 'Update assignment' 2010-10-05 update BMRB 'Update entry citation' 2010-06-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence specific 1H, 13C and 15N backbone resonance assignments of UVI31+ from Chlamydomonas reinhardtii.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20526700 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rout Ashok K. . 2 Minda R. . . 3 Peri D. . . 4 Ramakrishnan V. . . 5 Bhattacharjee S. K. . 6 Rao B. J. . 7 Chary K. V.R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 171 _Page_last 174 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name uvi31+ _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label uvi31+ $uvi31+ 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_uvi31+ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common uvi31+ _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MRGSHHHHHHGSHVISSIAS MAEHQLGPIAGAIKSKVEAA LSPTHFKLINDSHKHAGHYA RDGSTASDAGETHFRLEVTS DAFKGLTLVKRHQLIYGLLS DEFKAGLHALSMTTKTPAEQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ARG 3 3 GLY 4 4 SER 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 GLY 12 12 SER 13 13 HIS 14 14 VAL 15 15 ILE 16 16 SER 17 17 SER 18 18 ILE 19 19 ALA 20 20 SER 21 24 MET 22 25 ALA 23 26 GLU 24 27 HIS 25 28 GLN 26 29 LEU 27 30 GLY 28 31 PRO 29 32 ILE 30 33 ALA 31 34 GLY 32 35 ALA 33 36 ILE 34 37 LYS 35 38 SER 36 39 LYS 37 40 VAL 38 41 GLU 39 42 ALA 40 43 ALA 41 44 LEU 42 45 SER 43 46 PRO 44 47 THR 45 48 HIS 46 49 PHE 47 50 LYS 48 51 LEU 49 52 ILE 50 53 ASN 51 54 ASP 52 55 SER 53 56 HIS 54 57 LYS 55 58 HIS 56 59 ALA 57 60 GLY 58 61 HIS 59 62 TYR 60 63 ALA 61 64 ARG 62 65 ASP 63 66 GLY 64 67 SER 65 68 THR 66 69 ALA 67 70 SER 68 71 ASP 69 72 ALA 70 73 GLY 71 74 GLU 72 75 THR 73 76 HIS 74 77 PHE 75 78 ARG 76 79 LEU 77 80 GLU 78 81 VAL 79 82 THR 80 83 SER 81 84 ASP 82 85 ALA 83 86 PHE 84 87 LYS 85 88 GLY 86 89 LEU 87 90 THR 88 91 LEU 89 92 VAL 90 93 LYS 91 94 ARG 92 95 HIS 93 96 GLN 94 97 LEU 95 98 ILE 96 99 TYR 97 100 GLY 98 101 LEU 99 102 LEU 100 103 SER 101 104 ASP 102 105 GLU 103 106 PHE 104 107 LYS 105 108 ALA 106 109 GLY 107 110 LEU 108 111 HIS 109 112 ALA 110 113 LEU 111 114 SER 112 115 MET 113 116 THR 114 117 THR 115 118 LYS 116 119 THR 117 120 PRO 118 121 ALA 119 122 GLU 120 123 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 19307 UVI31+Mg 102.50 123 97.56 97.56 1.78e-76 BMRB 19308 Phophorylated_UVI31+ 102.50 123 97.56 97.56 1.78e-76 PDB 2MA0 "Nmr Structural Of Uvi31+" 102.50 123 97.56 97.56 1.78e-76 GB EDO96758 "predicted protein [Chlamydomonas reinhardtii]" 83.33 100 100.00 100.00 1.89e-64 REF XP_001702905 "predicted protein [Chlamydomonas reinhardtii]" 83.33 100 100.00 100.00 1.89e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $uvi31+ 'green algae' 3055 Eukaryota Viridiplantae Chlamydomonas reinhardtii 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 $uvi31+ 'recombinant technology' . Escherichia coli . pQE30-UA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 15N-uvi31+ loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $uvi31+ 0.8 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 13C,15N-uvi31+ loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $uvi31+ 0.7 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . 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 800 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name uvi31+ _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 11 11 GLY H H 8.294 0.02 . 2 11 11 GLY HA2 H 3.860 0.02 . 3 11 11 GLY C C 172.428 0.30 . 4 11 11 GLY CA C 44.440 0.30 . 5 11 11 GLY N N 109.506 0.30 . 6 12 12 SER H H 8.192 0.02 . 7 12 12 SER HA H 4.267 0.02 . 8 12 12 SER HB2 H 3.753 0.02 . 9 12 12 SER HB3 H 3.712 0.02 . 10 12 12 SER C C 172.364 0.30 . 11 12 12 SER CA C 57.635 0.30 . 12 12 12 SER CB C 62.972 0.30 . 13 12 12 SER N N 115.631 0.30 . 14 13 13 HIS H H 8.217 0.02 . 15 13 13 HIS HA H 4.248 0.02 . 16 13 13 HIS HB2 H 3.194 0.02 . 17 13 13 HIS HB3 H 3.159 0.02 . 18 13 13 HIS C C 175.151 0.30 . 19 13 13 HIS CA C 55.771 0.30 . 20 13 13 HIS CB C 29.936 0.30 . 21 13 13 HIS N N 122.814 0.30 . 22 14 14 VAL H H 7.397 0.02 . 23 14 14 VAL HA H 4.217 0.02 . 24 14 14 VAL HB H 2.282 0.02 . 25 14 14 VAL C C 177.861 0.30 . 26 14 14 VAL CA C 61.924 0.30 . 27 14 14 VAL CB C 29.530 0.30 . 28 14 14 VAL N N 115.356 0.30 . 29 15 15 ILE H H 7.990 0.02 . 30 15 15 ILE HA H 4.063 0.02 . 31 15 15 ILE HB H 1.776 0.02 . 32 15 15 ILE HG12 H 1.057 0.02 . 33 15 15 ILE HG13 H 1.017 0.02 . 34 15 15 ILE HG2 H 0.762 0.02 . 35 15 15 ILE C C 174.084 0.30 . 36 15 15 ILE CA C 61.626 0.30 . 37 15 15 ILE CB C 31.928 0.30 . 38 15 15 ILE CG1 C 27.560 0.30 . 39 15 15 ILE N N 122.061 0.30 . 40 16 16 SER H H 8.204 0.02 . 41 16 16 SER HA H 4.062 0.02 . 42 16 16 SER C C 174.303 0.30 . 43 16 16 SER CA C 60.265 0.30 . 44 16 16 SER CB C 62.609 0.30 . 45 16 16 SER N N 125.503 0.30 . 46 17 17 SER H H 8.294 0.02 . 47 17 17 SER HA H 4.407 0.02 . 48 17 17 SER HB2 H 3.728 0.02 . 49 17 17 SER HB3 H 3.709 0.02 . 50 17 17 SER C C 172.745 0.30 . 51 17 17 SER CA C 57.431 0.30 . 52 17 17 SER CB C 63.156 0.30 . 53 17 17 SER N N 120.307 0.30 . 54 18 18 ILE H H 8.001 0.02 . 55 18 18 ILE HA H 3.952 0.02 . 56 18 18 ILE HB H 1.820 0.02 . 57 18 18 ILE C C 174.446 0.30 . 58 18 18 ILE CA C 60.815 0.30 . 59 18 18 ILE CB C 37.748 0.30 . 60 18 18 ILE N N 121.910 0.30 . 61 19 19 ALA H H 8.154 0.02 . 62 19 19 ALA HA H 4.214 0.02 . 63 19 19 ALA HB H 1.270 0.02 . 64 19 19 ALA C C 176.030 0.30 . 65 19 19 ALA CA C 51.951 0.30 . 66 19 19 ALA CB C 18.363 0.30 . 67 19 19 ALA N N 127.204 0.30 . 68 20 20 SER H H 8.085 0.02 . 69 20 20 SER HA H 4.278 0.02 . 70 20 20 SER HB2 H 3.759 0.02 . 71 20 20 SER C C 173.036 0.30 . 72 20 20 SER CA C 57.638 0.30 . 73 20 20 SER CB C 62.932 0.30 . 74 20 20 SER N N 114.829 0.30 . 75 24 21 MET H H 8.311 0.02 . 76 24 21 MET HA H 4.320 0.02 . 77 24 21 MET HB2 H 1.938 0.02 . 78 24 21 MET HB3 H 1.891 0.02 . 79 24 21 MET HG2 H 2.481 0.02 . 80 24 21 MET HG3 H 2.441 0.02 . 81 24 21 MET C C 174.376 0.30 . 82 24 21 MET CA C 54.802 0.30 . 83 24 21 MET CB C 31.920 0.30 . 84 24 21 MET CG C 30.680 0.30 . 85 24 21 MET N N 121.984 0.30 . 86 25 22 ALA H H 8.094 0.02 . 87 25 22 ALA HA H 4.163 0.02 . 88 25 22 ALA HB H 1.266 0.02 . 89 25 22 ALA C C 176.031 0.30 . 90 25 22 ALA CA C 51.952 0.30 . 91 25 22 ALA CB C 18.383 0.30 . 92 25 22 ALA N N 124.508 0.30 . 93 26 23 GLU H H 8.192 0.02 . 94 26 23 GLU HA H 4.066 0.02 . 95 26 23 GLU HB2 H 1.824 0.02 . 96 26 23 GLU HG2 H 2.081 0.02 . 97 26 23 GLU C C 174.600 0.30 . 98 26 23 GLU CA C 56.108 0.30 . 99 26 23 GLU CB C 29.485 0.30 . 100 26 23 GLU CG C 35.420 0.30 . 101 26 23 GLU N N 119.437 0.30 . 102 27 24 HIS H H 8.217 0.02 . 103 27 24 HIS HA H 4.673 0.02 . 104 27 24 HIS HB2 H 3.093 0.02 . 105 27 24 HIS HB3 H 3.050 0.02 . 106 27 24 HIS C C 173.215 0.30 . 107 27 24 HIS CA C 55.132 0.30 . 108 27 24 HIS CB C 29.727 0.30 . 109 27 24 HIS N N 118.757 0.30 . 110 28 25 GLN H H 8.221 0.02 . 111 28 25 GLN HA H 4.213 0.02 . 112 28 25 GLN HB2 H 1.927 0.02 . 113 28 25 GLN HG2 H 2.235 0.02 . 114 28 25 GLN HE21 H 7.362 0.02 . 115 28 25 GLN HE22 H 6.600 0.02 . 116 28 25 GLN C C 173.695 0.30 . 117 28 25 GLN CA C 54.847 0.30 . 118 28 25 GLN CB C 28.568 0.30 . 119 28 25 GLN CG C 34.120 0.30 . 120 28 25 GLN N N 121.361 0.30 . 121 28 25 GLN NE2 N 112.393 0.30 . 122 29 26 LEU H H 8.295 0.02 . 123 29 26 LEU HA H 4.319 0.02 . 124 29 26 LEU HB2 H 1.624 0.02 . 125 29 26 LEU HG H 1.422 0.02 . 126 29 26 LEU C C 175.721 0.30 . 127 29 26 LEU CA C 54.139 0.30 . 128 29 26 LEU CB C 41.920 0.30 . 129 29 26 LEU CG C 26.590 0.30 . 130 29 26 LEU N N 123.929 0.30 . 131 30 27 GLY H H 8.459 0.02 . 132 30 27 GLY HA2 H 3.859 0.02 . 133 30 27 GLY C C 170.252 0.30 . 134 30 27 GLY CA C 43.977 0.30 . 135 30 27 GLY N N 110.447 0.30 . 136 31 28 PRO C C 179.073 0.30 . 137 31 28 PRO CA C 64.154 0.30 . 138 31 28 PRO CB C 31.191 0.30 . 139 32 29 ILE H H 10.226 0.02 . 140 32 29 ILE HA H 4.507 0.02 . 141 32 29 ILE HB H 1.447 0.02 . 142 32 29 ILE HG12 H 1.160 0.02 . 143 32 29 ILE C C 176.719 0.30 . 144 32 29 ILE CA C 63.444 0.30 . 145 32 29 ILE CB C 34.833 0.30 . 146 32 29 ILE CG1 C 27.460 0.30 . 147 32 29 ILE CG2 C 19.850 0.30 . 148 32 29 ILE N N 124.391 0.30 . 149 33 30 ALA H H 9.220 0.02 . 150 33 30 ALA HA H 4.493 0.02 . 151 33 30 ALA HB H 1.447 0.02 . 152 33 30 ALA C C 178.057 0.30 . 153 33 30 ALA CA C 54.352 0.30 . 154 33 30 ALA CB C 18.850 0.30 . 155 33 30 ALA N N 124.558 0.30 . 156 34 31 GLY H H 8.547 0.02 . 157 34 31 GLY HA2 H 4.067 0.02 . 158 34 31 GLY C C 174.460 0.30 . 159 34 31 GLY CA C 45.838 0.30 . 160 34 31 GLY N N 132.296 0.30 . 161 35 32 ALA H H 7.276 0.02 . 162 35 32 ALA HA H 4.062 0.02 . 163 35 32 ALA HB H 1.372 0.02 . 164 35 32 ALA C C 177.280 0.30 . 165 35 32 ALA CA C 54.032 0.30 . 166 35 32 ALA CB C 18.142 0.30 . 167 35 32 ALA N N 126.264 0.30 . 168 36 33 ILE H H 8.293 0.02 . 169 36 33 ILE HA H 4.182 0.02 . 170 36 33 ILE HB H 1.830 0.02 . 171 36 33 ILE HG12 H 1.190 0.02 . 172 36 33 ILE C C 175.551 0.30 . 173 36 33 ILE CA C 65.081 0.30 . 174 36 33 ILE CB C 36.761 0.30 . 175 36 33 ILE CG1 C 27.680 0.30 . 176 36 33 ILE N N 117.177 0.30 . 177 37 34 LYS H H 7.782 0.02 . 178 37 34 LYS HA H 3.887 0.02 . 179 37 34 LYS HB2 H 1.790 0.02 . 180 37 34 LYS HG2 H 1.380 0.02 . 181 37 34 LYS HD2 H 1.680 0.02 . 182 37 34 LYS HE2 H 2.630 0.02 . 183 37 34 LYS C C 175.620 0.30 . 184 37 34 LYS CA C 59.168 0.30 . 185 37 34 LYS CB C 32.202 0.30 . 186 37 34 LYS CG C 24.560 0.30 . 187 37 34 LYS CD C 28.690 0.30 . 188 37 34 LYS CE C 42.130 0.30 . 189 37 34 LYS N N 116.625 0.30 . 190 38 35 SER H H 7.912 0.02 . 191 38 35 SER HA H 4.312 0.02 . 192 38 35 SER HB2 H 3.961 0.02 . 193 38 35 SER HB3 H 3.711 0.02 . 194 38 35 SER HG H 5.120 0.02 . 195 38 35 SER C C 175.560 0.30 . 196 38 35 SER CA C 60.707 0.30 . 197 38 35 SER CB C 62.134 0.30 . 198 38 35 SER N N 111.792 0.30 . 199 39 36 LYS H H 8.482 0.02 . 200 39 36 LYS HA H 4.444 0.02 . 201 39 36 LYS HB2 H 1.873 0.02 . 202 39 36 LYS HG2 H 1.360 0.02 . 203 39 36 LYS HD2 H 1.580 0.02 . 204 39 36 LYS HE2 H 2.118 0.02 . 205 39 36 LYS C C 178.379 0.30 . 206 39 36 LYS CA C 59.391 0.30 . 207 39 36 LYS CB C 32.195 0.30 . 208 39 36 LYS N N 120.813 0.30 . 209 40 37 VAL H H 8.355 0.02 . 210 40 37 VAL HA H 3.346 0.02 . 211 40 37 VAL HG1 H 0.890 0.02 . 212 40 37 VAL HG2 H 0.810 0.02 . 213 40 37 VAL C C 178.515 0.30 . 214 40 37 VAL CA C 66.164 0.30 . 215 40 37 VAL CB C 30.232 0.30 . 216 40 37 VAL CG1 C 22.580 0.30 . 217 40 37 VAL CG2 C 22.460 0.30 . 218 40 37 VAL N N 118.990 0.30 . 219 41 38 GLU H H 8.228 0.02 . 220 41 38 GLU HA H 4.395 0.02 . 221 41 38 GLU HB2 H 1.980 0.02 . 222 41 38 GLU HG2 H 3.740 0.02 . 223 41 38 GLU C C 177.456 0.30 . 224 41 38 GLU CA C 59.393 0.30 . 225 41 38 GLU CB C 28.058 0.30 . 226 41 38 GLU CG C 34.560 0.30 . 227 41 38 GLU N N 118.619 0.30 . 228 42 39 ALA H H 7.496 0.02 . 229 42 39 ALA HA H 3.962 0.02 . 230 42 39 ALA HB H 1.367 0.02 . 231 42 39 ALA C C 177.523 0.30 . 232 42 39 ALA CA C 53.723 0.30 . 233 42 39 ALA CB C 17.882 0.30 . 234 42 39 ALA N N 118.753 0.30 . 235 43 40 ALA H H 7.392 0.02 . 236 43 40 ALA HA H 4.214 0.02 . 237 43 40 ALA HB H 1.369 0.02 . 238 43 40 ALA C C 177.831 0.30 . 239 43 40 ALA CA C 53.167 0.30 . 240 43 40 ALA CB C 20.067 0.30 . 241 43 40 ALA N N 115.507 0.30 . 242 44 41 LEU H H 7.924 0.02 . 243 44 41 LEU HA H 4.315 0.02 . 244 44 41 LEU HB2 H 1.569 0.02 . 245 44 41 LEU HG H 1.480 0.02 . 246 44 41 LEU HD1 H 0.568 0.02 . 247 44 41 LEU C C 175.011 0.30 . 248 44 41 LEU CA C 53.177 0.30 . 249 44 41 LEU CB C 41.378 0.30 . 250 44 41 LEU CG C 27.180 0.30 . 251 44 41 LEU CD1 C 24.890 0.30 . 252 44 41 LEU CD2 C 24.750 0.30 . 253 44 41 LEU N N 112.111 0.30 . 254 45 42 SER H H 7.608 0.02 . 255 45 42 SER HA H 4.116 0.02 . 256 45 42 SER HB2 H 3.656 0.02 . 257 45 42 SER HG H 5.340 0.02 . 258 45 42 SER C C 174.944 0.30 . 259 45 42 SER CA C 57.108 0.30 . 260 45 42 SER CB C 61.710 0.30 . 261 45 42 SER N N 113.666 0.30 . 262 46 43 PRO C C 175.933 0.30 . 263 46 43 PRO CA C 62.192 0.30 . 264 46 43 PRO CB C 32.682 0.30 . 265 47 44 THR H H 8.292 0.02 . 266 47 44 THR HA H 4.266 0.02 . 267 47 44 THR HB H 4.203 0.02 . 268 47 44 THR HG1 H 5.197 0.02 . 269 47 44 THR HG2 H 1.021 0.02 . 270 47 44 THR C C 173.363 0.30 . 271 47 44 THR CA C 61.907 0.30 . 272 47 44 THR CB C 67.478 0.30 . 273 47 44 THR CG2 C 21.360 0.30 . 274 47 44 THR N N 111.474 0.30 . 275 48 45 HIS H H 7.213 0.02 . 276 48 45 HIS HA H 4.706 0.02 . 277 48 45 HIS HB2 H 3.314 0.02 . 278 48 45 HIS C C 170.870 0.30 . 279 48 45 HIS CA C 56.005 0.30 . 280 48 45 HIS CB C 32.665 0.30 . 281 48 45 HIS N N 119.658 0.30 . 282 49 46 PHE H H 7.961 0.02 . 283 49 46 PHE HA H 4.675 0.02 . 284 49 46 PHE HB2 H 3.215 0.02 . 285 49 46 PHE HB3 H 2.741 0.02 . 286 49 46 PHE C C 170.977 0.30 . 287 49 46 PHE CA C 55.890 0.30 . 288 49 46 PHE CB C 41.849 0.30 . 289 49 46 PHE N N 127.497 0.30 . 290 50 47 LYS H H 8.076 0.02 . 291 50 47 LYS HA H 4.034 0.02 . 292 50 47 LYS HB2 H 1.820 0.02 . 293 50 47 LYS HG2 H 1.390 0.02 . 294 50 47 LYS HE2 H 3.096 0.02 . 295 50 47 LYS C C 170.398 0.30 . 296 50 47 LYS CA C 55.008 0.30 . 297 50 47 LYS CB C 36.023 0.30 . 298 50 47 LYS CG C 24.890 0.30 . 299 50 47 LYS CD C 28.630 0.30 . 300 50 47 LYS N N 128.814 0.30 . 301 51 48 LEU H H 8.471 0.02 . 302 51 48 LEU HA H 4.411 0.02 . 303 51 48 LEU HB2 H 1.750 0.02 . 304 51 48 LEU HG H 1.530 0.02 . 305 51 48 LEU HD1 H 0.780 0.02 . 306 51 48 LEU C C 173.441 0.30 . 307 51 48 LEU CA C 52.706 0.30 . 308 51 48 LEU CB C 44.771 0.30 . 309 51 48 LEU CG C 26.930 0.30 . 310 51 48 LEU CD1 C 24.570 0.30 . 311 51 48 LEU N N 128.438 0.30 . 312 52 49 ILE H H 9.159 0.02 . 313 52 49 ILE HA H 4.264 0.02 . 314 52 49 ILE HB H 1.860 0.02 . 315 52 49 ILE HG12 H 1.210 0.02 . 316 52 49 ILE HD1 H 0.808 0.02 . 317 52 49 ILE C C 172.789 0.30 . 318 52 49 ILE CA C 59.823 0.30 . 319 52 49 ILE CB C 41.134 0.30 . 320 52 49 ILE CG1 C 27.120 0.30 . 321 52 49 ILE CG2 C 16.980 0.30 . 322 52 49 ILE CD1 C 13.560 0.30 . 323 52 49 ILE N N 127.202 0.30 . 324 53 50 ASN H H 9.158 0.02 . 325 53 50 ASN HA H 4.689 0.02 . 326 53 50 ASN HB2 H 2.626 0.02 . 327 53 50 ASN HD21 H 7.789 0.02 . 328 53 50 ASN HD22 H 7.618 0.02 . 329 53 50 ASN C C 172.917 0.30 . 330 53 50 ASN CA C 52.304 0.30 . 331 53 50 ASN CB C 37.253 0.30 . 332 53 50 ASN N N 126.204 0.30 . 333 53 50 ASN ND2 N 111.641 0.30 . 334 54 51 ASP H H 8.510 0.02 . 335 54 51 ASP HA H 4.689 0.02 . 336 54 51 ASP HB2 H 2.757 0.02 . 337 54 51 ASP C C 176.236 0.30 . 338 54 51 ASP CA C 54.607 0.30 . 339 54 51 ASP CB C 41.842 0.30 . 340 54 51 ASP N N 128.843 0.30 . 341 55 52 SER H H 8.689 0.02 . 342 55 52 SER HA H 4.395 0.02 . 343 55 52 SER HB2 H 3.625 0.02 . 344 55 52 SER C C 173.624 0.30 . 345 55 52 SER CA C 62.893 0.30 . 346 55 52 SER CB C 61.947 0.30 . 347 55 52 SER N N 118.998 0.30 . 348 56 53 HIS H H 8.293 0.02 . 349 56 53 HIS HA H 4.689 0.02 . 350 56 53 HIS HB2 H 3.740 0.02 . 351 56 53 HIS C C 174.616 0.30 . 352 56 53 HIS CA C 57.591 0.30 . 353 56 53 HIS CB C 28.329 0.30 . 354 56 53 HIS N N 118.359 0.30 . 355 57 54 LYS H H 7.134 0.02 . 356 57 54 LYS HA H 4.378 0.02 . 357 57 54 LYS HB2 H 1.692 0.02 . 358 57 54 LYS HG2 H 1.290 0.02 . 359 57 54 LYS HE2 H 3.019 0.02 . 360 57 54 LYS C C 174.450 0.30 . 361 57 54 LYS CA C 56.107 0.30 . 362 57 54 LYS CB C 30.937 0.30 . 363 57 54 LYS CG C 24.680 0.30 . 364 57 54 LYS CE C 42.640 0.30 . 365 57 54 LYS N N 118.941 0.30 . 366 58 55 HIS H H 7.276 0.02 . 367 58 55 HIS HA H 4.247 0.02 . 368 58 55 HIS HB2 H 3.199 0.02 . 369 58 55 HIS C C 172.596 0.30 . 370 58 55 HIS CA C 54.369 0.30 . 371 58 55 HIS CB C 30.236 0.30 . 372 58 55 HIS N N 116.997 0.30 . 373 59 56 ALA H H 7.545 0.02 . 374 59 56 ALA HA H 4.165 0.02 . 375 59 56 ALA HB H 1.269 0.02 . 376 59 56 ALA C C 176.331 0.30 . 377 59 56 ALA CA C 52.288 0.30 . 378 59 56 ALA CB C 18.603 0.30 . 379 59 56 ALA N N 123.822 0.30 . 380 60 57 GLY H H 8.318 0.02 . 381 60 57 GLY HA2 H 3.756 0.02 . 382 60 57 GLY C C 172.351 0.30 . 383 60 57 GLY CA C 44.612 0.30 . 384 60 57 GLY N N 107.787 0.30 . 385 61 58 HIS H H 7.977 0.02 . 386 61 58 HIS HA H 4.673 0.02 . 387 61 58 HIS HB2 H 3.363 0.02 . 388 61 58 HIS C C 172.983 0.30 . 389 61 58 HIS CA C 55.451 0.30 . 390 61 58 HIS CB C 29.780 0.30 . 391 61 58 HIS N N 118.151 0.30 . 392 62 59 TYR H H 7.899 0.02 . 393 62 59 TYR HA H 4.421 0.02 . 394 62 59 TYR HB2 H 2.872 0.02 . 395 62 59 TYR HB3 H 2.757 0.02 . 396 62 59 TYR C C 173.291 0.30 . 397 62 59 TYR CA C 56.876 0.30 . 398 62 59 TYR CB C 38.220 0.30 . 399 62 59 TYR N N 120.639 0.30 . 400 63 60 ALA H H 8.091 0.02 . 401 63 60 ALA HA H 4.165 0.02 . 402 63 60 ALA HB H 1.221 0.02 . 403 63 60 ALA C C 175.714 0.30 . 404 63 60 ALA CA C 51.314 0.30 . 405 63 60 ALA CB C 18.410 0.30 . 406 63 60 ALA N N 125.751 0.30 . 407 64 61 ARG H H 8.204 0.02 . 408 64 61 ARG HA H 4.165 0.02 . 409 64 61 ARG HB2 H 1.677 0.02 . 410 64 61 ARG HG2 H 1.546 0.02 . 411 64 61 ARG HD2 H 3.049 0.02 . 412 64 61 ARG C C 174.605 0.30 . 413 64 61 ARG CA C 55.718 0.30 . 414 64 61 ARG CB C 30.750 0.30 . 415 64 61 ARG CG C 27.120 0.30 . 416 64 61 ARG CD C 43.180 0.30 . 417 64 61 ARG N N 120.527 0.30 . 418 65 62 ASP H H 8.065 0.02 . 419 65 62 ASP HA H 4.470 0.02 . 420 65 62 ASP HB2 H 2.741 0.02 . 421 65 62 ASP HB3 H 2.541 0.02 . 422 65 62 ASP C C 176.735 0.30 . 423 65 62 ASP CA C 53.257 0.30 . 424 65 62 ASP CB C 40.366 0.30 . 425 65 62 ASP N N 119.999 0.30 . 426 66 63 GLY H H 8.243 0.02 . 427 66 63 GLY HA2 H 3.966 0.02 . 428 66 63 GLY HA3 H 3.754 0.02 . 429 66 63 GLY C C 172.591 0.30 . 430 66 63 GLY CA C 44.687 0.30 . 431 66 63 GLY N N 109.210 0.30 . 432 67 64 SER H H 8.129 0.02 . 433 67 64 SER HA H 4.366 0.02 . 434 67 64 SER HB2 H 3.808 0.02 . 435 67 64 SER HB3 H 3.687 0.02 . 436 67 64 SER HG H 5.074 0.02 . 437 67 64 SER C C 172.900 0.30 . 438 67 64 SER CA C 57.742 0.30 . 439 67 64 SER CB C 63.394 0.30 . 440 67 64 SER N N 115.775 0.30 . 441 68 65 THR H H 8.281 0.02 . 442 68 65 THR HA H 4.672 0.02 . 443 68 65 THR HB H 4.207 0.02 . 444 68 65 THR HG1 H 5.066 0.02 . 445 68 65 THR HG2 H 1.111 0.02 . 446 68 65 THR C C 173.053 0.30 . 447 68 65 THR CA C 61.908 0.30 . 448 68 65 THR CB C 68.972 0.30 . 449 68 65 THR CG2 C 22.120 0.30 . 450 68 65 THR N N 115.837 0.30 . 451 69 66 ALA H H 8.248 0.02 . 452 69 66 ALA HA H 4.155 0.02 . 453 69 66 ALA HB H 1.264 0.02 . 454 69 66 ALA C C 176.339 0.30 . 455 69 66 ALA CA C 52.496 0.30 . 456 69 66 ALA CB C 18.368 0.30 . 457 69 66 ALA N N 125.446 0.30 . 458 70 67 SER H H 8.123 0.02 . 459 70 67 SER HA H 4.218 0.02 . 460 70 67 SER HB2 H 3.766 0.02 . 461 70 67 SER C C 173.306 0.30 . 462 70 67 SER CA C 58.408 0.30 . 463 70 67 SER CB C 62.914 0.30 . 464 70 67 SER N N 114.516 0.30 . 465 71 68 ASP H H 8.190 0.02 . 466 71 68 ASP HA H 4.469 0.02 . 467 71 68 ASP HB2 H 2.595 0.02 . 468 71 68 ASP HB3 H 2.540 0.02 . 469 71 68 ASP C C 174.375 0.30 . 470 71 68 ASP CA C 54.033 0.30 . 471 71 68 ASP CB C 40.374 0.30 . 472 71 68 ASP N N 121.987 0.30 . 473 72 69 ALA H H 7.992 0.02 . 474 72 69 ALA HA H 4.262 0.02 . 475 72 69 ALA HB H 1.272 0.02 . 476 72 69 ALA C C 175.870 0.30 . 477 72 69 ALA CA C 51.425 0.30 . 478 72 69 ALA CB C 18.508 0.30 . 479 72 69 ALA N N 122.987 0.30 . 480 73 70 GLY H H 8.139 0.02 . 481 73 70 GLY HA2 H 3.859 0.02 . 482 73 70 GLY C C 171.959 0.30 . 483 73 70 GLY CA C 44.833 0.30 . 484 73 70 GLY N N 107.114 0.30 . 485 74 71 GLU H H 8.401 0.02 . 486 74 71 GLU HA H 4.217 0.02 . 487 74 71 GLU HB2 H 2.206 0.02 . 488 74 71 GLU HG2 H 2.693 0.02 . 489 74 71 GLU C C 171.319 0.30 . 490 74 71 GLU CA C 54.582 0.30 . 491 74 71 GLU CB C 31.458 0.30 . 492 74 71 GLU CG C 36.340 0.30 . 493 74 71 GLU N N 122.109 0.30 . 494 75 72 THR H H 8.093 0.02 . 495 75 72 THR HA H 4.466 0.02 . 496 75 72 THR HB H 4.114 0.02 . 497 75 72 THR HG1 H 5.508 0.02 . 498 75 72 THR HG2 H 1.201 0.02 . 499 75 72 THR C C 173.964 0.30 . 500 75 72 THR CA C 62.251 0.30 . 501 75 72 THR CB C 68.487 0.30 . 502 75 72 THR CG2 C 21.690 0.30 . 503 75 72 THR N N 107.666 0.30 . 504 76 73 HIS H H 7.709 0.02 . 505 76 73 HIS HA H 4.689 0.02 . 506 76 73 HIS HB2 H 3.260 0.02 . 507 76 73 HIS C C 171.887 0.30 . 508 76 73 HIS CA C 55.662 0.30 . 509 76 73 HIS CB C 32.899 0.30 . 510 76 73 HIS N N 122.631 0.30 . 511 77 74 PHE H H 7.809 0.02 . 512 77 74 PHE HA H 4.689 0.02 . 513 77 74 PHE HB2 H 3.232 0.02 . 514 77 74 PHE C C 174.622 0.30 . 515 77 74 PHE CA C 55.015 0.30 . 516 77 74 PHE CB C 43.541 0.30 . 517 77 74 PHE N N 116.183 0.30 . 518 78 75 ARG H H 9.248 0.02 . 519 78 75 ARG HA H 4.444 0.02 . 520 78 75 ARG HB2 H 1.610 0.02 . 521 78 75 ARG HG2 H 1.490 0.02 . 522 78 75 ARG HD2 H 3.821 0.02 . 523 78 75 ARG C C 172.654 0.30 . 524 78 75 ARG CA C 54.473 0.30 . 525 78 75 ARG CB C 32.650 0.30 . 526 78 75 ARG CG C 27.200 0.30 . 527 78 75 ARG CD C 42.800 0.30 . 528 78 75 ARG N N 121.928 0.30 . 529 79 76 LEU H H 8.486 0.02 . 530 79 76 LEU HA H 4.460 0.02 . 531 79 76 LEU HB2 H 1.630 0.02 . 532 79 76 LEU HG H 1.430 0.02 . 533 79 76 LEU HD1 H 0.906 0.02 . 534 79 76 LEU C C 172.660 0.30 . 535 79 76 LEU CA C 52.271 0.30 . 536 79 76 LEU CB C 45.963 0.30 . 537 79 76 LEU CG C 25.980 0.30 . 538 79 76 LEU CD1 C 24.160 0.30 . 539 79 76 LEU N N 124.150 0.30 . 540 80 77 GLU H H 9.107 0.02 . 541 80 77 GLU HA H 4.444 0.02 . 542 80 77 GLU HB2 H 2.085 0.02 . 543 80 77 GLU HG2 H 2.511 0.02 . 544 80 77 GLU C C 172.682 0.30 . 545 80 77 GLU CA C 53.273 0.30 . 546 80 77 GLU CB C 30.260 0.30 . 547 80 77 GLU CG C 35.180 0.30 . 548 80 77 GLU N N 126.798 0.30 . 549 81 78 VAL H H 8.459 0.02 . 550 81 78 VAL HA H 4.214 0.02 . 551 81 78 VAL HB H 1.954 0.02 . 552 81 78 VAL HG1 H 0.987 0.02 . 553 81 78 VAL HG2 H 0.937 0.02 . 554 81 78 VAL C C 172.198 0.30 . 555 81 78 VAL CA C 59.718 0.30 . 556 81 78 VAL CB C 34.835 0.30 . 557 81 78 VAL CG1 C 21.560 0.30 . 558 81 78 VAL CG2 C 21.420 0.30 . 559 81 78 VAL N N 119.285 0.30 . 560 82 79 THR H H 8.688 0.02 . 561 82 79 THR HA H 4.264 0.02 . 562 82 79 THR HB H 4.018 0.02 . 563 82 79 THR HG2 H 0.784 0.02 . 564 82 79 THR C C 172.426 0.30 . 565 82 79 THR CA C 59.075 0.30 . 566 82 79 THR CB C 68.499 0.30 . 567 82 79 THR CG2 C 21.970 0.30 . 568 82 79 THR N N 127.145 0.30 . 569 83 80 SER H H 8.831 0.02 . 570 83 80 SER HA H 4.460 0.02 . 571 83 80 SER HB2 H 4.165 0.02 . 572 83 80 SER C C 173.220 0.30 . 573 83 80 SER CA C 55.914 0.30 . 574 83 80 SER CB C 63.362 0.30 . 575 83 80 SER N N 117.286 0.30 . 576 84 81 ASP H H 9.081 0.02 . 577 84 81 ASP HA H 4.518 0.02 . 578 84 81 ASP HB2 H 2.935 0.02 . 579 84 81 ASP HB3 H 1.980 0.02 . 580 84 81 ASP C C 175.944 0.30 . 581 84 81 ASP CA C 56.116 0.30 . 582 84 81 ASP CB C 40.395 0.30 . 583 84 81 ASP N N 130.709 0.30 . 584 85 82 ALA H H 8.548 0.02 . 585 85 82 ALA HA H 4.011 0.02 . 586 85 82 ALA HB H 1.018 0.02 . 587 85 82 ALA C C 176.256 0.30 . 588 85 82 ALA CA C 52.938 0.30 . 589 85 82 ALA CB C 18.642 0.30 . 590 85 82 ALA N N 122.620 0.30 . 591 86 83 PHE H H 6.577 0.02 . 592 86 83 PHE HA H 4.374 0.02 . 593 86 83 PHE HB2 H 2.806 0.02 . 594 86 83 PHE C C 173.141 0.30 . 595 86 83 PHE CA C 54.039 0.30 . 596 86 83 PHE CB C 37.193 0.30 . 597 86 83 PHE N N 111.320 0.30 . 598 87 84 LYS H H 7.388 0.02 . 599 87 84 LYS HA H 3.812 0.02 . 600 87 84 LYS HB2 H 1.820 0.02 . 601 87 84 LYS HG2 H 1.460 0.02 . 602 87 84 LYS C C 175.636 0.30 . 603 87 84 LYS CA C 58.192 0.30 . 604 87 84 LYS CB C 32.424 0.30 . 605 87 84 LYS CG C 24.980 0.30 . 606 87 84 LYS N N 120.506 0.30 . 607 88 85 GLY H H 8.954 0.02 . 608 88 85 GLY HA2 H 4.055 0.02 . 609 88 85 GLY C C 172.110 0.30 . 610 88 85 GLY CA C 44.435 0.30 . 611 88 85 GLY N N 113.550 0.30 . 612 89 86 LEU H H 7.849 0.02 . 613 89 86 LEU HA H 4.463 0.02 . 614 89 86 LEU HB2 H 1.873 0.02 . 615 89 86 LEU HG H 1.630 0.02 . 616 89 86 LEU HD1 H 0.820 0.02 . 617 89 86 LEU C C 176.881 0.30 . 618 89 86 LEU CA C 52.963 0.30 . 619 89 86 LEU CB C 42.615 0.30 . 620 89 86 LEU CG C 26.930 0.30 . 621 89 86 LEU CD1 C 25.870 0.30 . 622 89 86 LEU N N 120.060 0.30 . 623 90 87 THR H H 7.732 0.02 . 624 90 87 THR HA H 4.150 0.02 . 625 90 87 THR HB H 4.105 0.02 . 626 90 87 THR C C 173.061 0.30 . 627 90 87 THR CA C 60.170 0.30 . 628 90 87 THR CB C 69.454 0.30 . 629 90 87 THR CG2 C 21.230 0.30 . 630 90 87 THR N N 115.005 0.30 . 631 91 88 LEU H H 8.541 0.02 . 632 91 88 LEU HA H 4.670 0.02 . 633 91 88 LEU HB2 H 1.008 0.02 . 634 91 88 LEU HG H 1.610 0.02 . 635 91 88 LEU HD1 H 0.860 0.02 . 636 91 88 LEU C C 176.236 0.30 . 637 91 88 LEU CA C 58.962 0.30 . 638 91 88 LEU CB C 40.470 0.30 . 639 91 88 LEU CG C 26.120 0.30 . 640 91 88 LEU CD1 C 24.890 0.30 . 641 91 88 LEU N N 122.791 0.30 . 642 92 89 VAL H H 7.849 0.02 . 643 92 89 VAL HA H 4.214 0.02 . 644 92 89 VAL HB H 1.940 0.02 . 645 92 89 VAL HG1 H 0.860 0.02 . 646 92 89 VAL HG2 H 0.810 0.02 . 647 92 89 VAL C C 176.536 0.30 . 648 92 89 VAL CA C 64.974 0.30 . 649 92 89 VAL CB C 30.716 0.30 . 650 92 89 VAL CG1 C 21.970 0.30 . 651 92 89 VAL CG2 C 21.690 0.30 . 652 92 89 VAL N N 114.284 0.30 . 653 93 90 LYS H H 6.997 0.02 . 654 93 90 LYS HA H 4.010 0.02 . 655 93 90 LYS HG2 H 1.670 0.02 . 656 93 90 LYS HD2 H 1.380 0.02 . 657 93 90 LYS HE2 H 3.347 0.02 . 658 93 90 LYS C C 178.142 0.30 . 659 93 90 LYS CA C 58.184 0.30 . 660 93 90 LYS CB C 31.906 0.30 . 661 93 90 LYS CG C 24.560 0.30 . 662 93 90 LYS CD C 29.130 0.30 . 663 93 90 LYS CE C 42.670 0.30 . 664 93 90 LYS N N 119.820 0.30 . 665 94 91 ARG H H 8.383 0.02 . 666 94 91 ARG HA H 4.411 0.02 . 667 94 91 ARG HB2 H 1.740 0.02 . 668 94 91 ARG HG2 H 1.590 0.02 . 669 94 91 ARG HD2 H 3.756 0.02 . 670 94 91 ARG C C 175.553 0.30 . 671 94 91 ARG CA C 59.209 0.30 . 672 94 91 ARG CB C 29.023 0.30 . 673 94 91 ARG CG C 26.540 0.30 . 674 94 91 ARG CD C 43.260 0.30 . 675 94 91 ARG N N 121.408 0.30 . 676 95 92 HIS H H 8.026 0.02 . 677 95 92 HIS HA H 4.164 0.02 . 678 95 92 HIS HB2 H 3.199 0.02 . 679 95 92 HIS C C 175.873 0.30 . 680 95 92 HIS CA C 57.509 0.30 . 681 95 92 HIS CB C 29.721 0.30 . 682 95 92 HIS N N 116.648 0.30 . 683 96 93 GLN H H 8.295 0.02 . 684 96 93 GLN HA H 3.975 0.02 . 685 96 93 GLN HB2 H 2.060 0.02 . 686 96 93 GLN HG2 H 2.282 0.02 . 687 96 93 GLN HE21 H 7.390 0.02 . 688 96 93 GLN HE22 H 6.707 0.02 . 689 96 93 GLN C C 176.886 0.30 . 690 96 93 GLN CA C 58.288 0.30 . 691 96 93 GLN CB C 27.771 0.30 . 692 96 93 GLN CG C 33.890 0.30 . 693 96 93 GLN N N 117.803 0.30 . 694 96 93 GLN NE2 N 111.474 0.30 . 695 97 94 LEU H H 7.759 0.02 . 696 97 94 LEU HA H 4.061 0.02 . 697 97 94 LEU HB2 H 1.720 0.02 . 698 97 94 LEU HG H 1.560 0.02 . 699 97 94 LEU C C 177.747 0.30 . 700 97 94 LEU CA C 57.768 0.30 . 701 97 94 LEU CB C 41.616 0.30 . 702 97 94 LEU CG C 26.970 0.30 . 703 97 94 LEU CD1 C 24.560 0.30 . 704 97 94 LEU N N 121.986 0.30 . 705 98 95 ILE H H 7.058 0.02 . 706 98 95 ILE HA H 4.682 0.02 . 707 98 95 ILE HB H 1.829 0.02 . 708 98 95 ILE HG12 H 1.230 0.02 . 709 98 95 ILE HG2 H 0.530 0.02 . 710 98 95 ILE C C 175.942 0.30 . 711 98 95 ILE CA C 63.094 0.30 . 712 98 95 ILE CB C 35.067 0.30 . 713 98 95 ILE CG1 C 28.360 0.30 . 714 98 95 ILE CG2 C 17.690 0.30 . 715 98 95 ILE CD1 C 13.260 0.30 . 716 98 95 ILE N N 117.838 0.30 . 717 99 96 TYR H H 8.560 0.02 . 718 99 96 TYR HA H 4.722 0.02 . 719 99 96 TYR HB2 H 2.780 0.02 . 720 99 96 TYR C C 177.981 0.30 . 721 99 96 TYR CA C 60.928 0.30 . 722 99 96 TYR CB C 36.312 0.30 . 723 99 96 TYR N N 118.461 0.30 . 724 100 97 GLY H H 8.293 0.02 . 725 100 97 GLY HA2 H 3.857 0.02 . 726 100 97 GLY C C 174.542 0.30 . 727 100 97 GLY CA C 45.884 0.30 . 728 100 97 GLY N N 104.642 0.30 . 729 101 98 LEU H H 7.633 0.02 . 730 101 98 LEU HA H 4.213 0.02 . 731 101 98 LEU HB2 H 1.879 0.02 . 732 101 98 LEU HG H 1.421 0.02 . 733 101 98 LEU C C 177.036 0.30 . 734 101 98 LEU CA C 55.875 0.30 . 735 101 98 LEU CB C 42.580 0.30 . 736 101 98 LEU CG C 26.580 0.30 . 737 101 98 LEU CD1 C 24.690 0.30 . 738 101 98 LEU N N 121.228 0.30 . 739 102 99 LEU H H 7.327 0.02 . 740 102 99 LEU HA H 5.026 0.02 . 741 102 99 LEU HB2 H 1.760 0.02 . 742 102 99 LEU HG H 1.590 0.02 . 743 102 99 LEU C C 173.594 0.30 . 744 102 99 LEU CA C 52.882 0.30 . 745 102 99 LEU CB C 41.113 0.30 . 746 102 99 LEU CG C 26.870 0.30 . 747 102 99 LEU CD1 C 24.360 0.30 . 748 102 99 LEU N N 115.951 0.30 . 749 103 100 SER H H 7.862 0.02 . 750 103 100 SER HA H 4.161 0.02 . 751 103 100 SER HB2 H 3.696 0.02 . 752 103 100 SER C C 175.995 0.30 . 753 103 100 SER CA C 59.065 0.30 . 754 103 100 SER CB C 64.347 0.30 . 755 103 100 SER N N 126.115 0.30 . 756 104 101 ASP H H 8.881 0.02 . 757 104 101 ASP HA H 4.673 0.02 . 758 104 101 ASP HB2 H 2.282 0.02 . 759 104 101 ASP C C 176.418 0.30 . 760 104 101 ASP CA C 56.555 0.30 . 761 104 101 ASP CB C 38.515 0.30 . 762 104 101 ASP N N 119.830 0.30 . 763 105 102 GLU H H 7.849 0.02 . 764 105 102 GLU HA H 3.809 0.02 . 765 105 102 GLU HB2 H 1.860 0.02 . 766 105 102 GLU HG2 H 2.190 0.02 . 767 105 102 GLU C C 176.987 0.30 . 768 105 102 GLU CA C 60.816 0.30 . 769 105 102 GLU CB C 27.108 0.30 . 770 105 102 GLU CG C 35.640 0.30 . 771 105 102 GLU N N 123.686 0.30 . 772 106 103 PHE H H 7.785 0.02 . 773 106 103 PHE HA H 4.722 0.02 . 774 106 103 PHE HB2 H 3.396 0.02 . 775 106 103 PHE C C 177.445 0.30 . 776 106 103 PHE CA C 61.139 0.30 . 777 106 103 PHE CB C 37.740 0.30 . 778 106 103 PHE N N 118.482 0.30 . 779 107 104 LYS H H 7.564 0.02 . 780 107 104 LYS HA H 4.100 0.02 . 781 107 104 LYS HB2 H 1.905 0.02 . 782 107 104 LYS HG2 H 1.630 0.02 . 783 107 104 LYS HE2 H 3.248 0.02 . 784 107 104 LYS HE3 H 2.937 0.02 . 785 107 104 LYS C C 175.623 0.30 . 786 107 104 LYS CA C 57.973 0.30 . 787 107 104 LYS CB C 31.480 0.30 . 788 107 104 LYS CG C 24.570 0.30 . 789 107 104 LYS CD C 28.690 0.30 . 790 107 104 LYS CE C 41.860 0.30 . 791 107 104 LYS N N 119.421 0.30 . 792 108 105 ALA H H 7.353 0.02 . 793 108 105 ALA HA H 4.317 0.02 . 794 108 105 ALA HB H 1.372 0.02 . 795 108 105 ALA C C 174.928 0.30 . 796 108 105 ALA CA C 51.406 0.30 . 797 108 105 ALA CB C 18.610 0.30 . 798 108 105 ALA N N 120.349 0.30 . 799 109 106 GLY H H 7.365 0.02 . 800 109 106 GLY HA2 H 4.570 0.02 . 801 109 106 GLY C C 172.276 0.30 . 802 109 106 GLY CA C 44.427 0.30 . 803 109 106 GLY N N 104.755 0.30 . 804 110 107 LEU H H 7.693 0.02 . 805 110 107 LEU HA H 4.061 0.02 . 806 110 107 LEU HB2 H 1.690 0.02 . 807 110 107 LEU HG H 1.540 0.02 . 808 110 107 LEU HD1 H 0.860 0.02 . 809 110 107 LEU C C 172.972 0.30 . 810 110 107 LEU CA C 55.674 0.30 . 811 110 107 LEU CB C 41.608 0.30 . 812 110 107 LEU CG C 26.030 0.30 . 813 110 107 LEU CD1 C 24.830 0.30 . 814 110 107 LEU N N 123.228 0.30 . 815 111 108 HIS H H 9.310 0.02 . 816 111 108 HIS HA H 4.722 0.02 . 817 111 108 HIS HB2 H 3.527 0.02 . 818 111 108 HIS C C 173.762 0.30 . 819 111 108 HIS CA C 56.182 0.30 . 820 111 108 HIS CB C 31.029 0.30 . 821 111 108 HIS N N 124.271 0.30 . 822 112 109 ALA H H 7.785 0.02 . 823 112 109 ALA HA H 4.542 0.02 . 824 112 109 ALA HB H 1.168 0.02 . 825 112 109 ALA C C 172.630 0.30 . 826 112 109 ALA CA C 51.207 0.30 . 827 112 109 ALA CB C 22.285 0.30 . 828 112 109 ALA N N 119.260 0.30 . 829 113 110 LEU H H 8.586 0.02 . 830 113 110 LEU HA H 4.444 0.02 . 831 113 110 LEU HB2 H 1.610 0.02 . 832 113 110 LEU HB3 H 1.580 0.02 . 833 113 110 LEU HG H 1.470 0.02 . 834 113 110 LEU HD1 H 0.740 0.02 . 835 113 110 LEU C C 173.386 0.30 . 836 113 110 LEU CA C 51.953 0.30 . 837 113 110 LEU CB C 46.199 0.30 . 838 113 110 LEU CG C 26.890 0.30 . 839 113 110 LEU CD1 C 24.360 0.30 . 840 113 110 LEU CD2 C 24.110 0.30 . 841 113 110 LEU N N 120.054 0.30 . 842 114 111 SER H H 8.453 0.02 . 843 114 111 SER HA H 4.739 0.02 . 844 114 111 SER HB2 H 3.756 0.02 . 845 114 111 SER HG H 5.260 0.02 . 846 114 111 SER C C 173.379 0.30 . 847 114 111 SER CA C 55.998 0.30 . 848 114 111 SER CB C 62.680 0.30 . 849 114 111 SER N N 119.708 0.30 . 850 115 112 MET H H 9.006 0.02 . 851 115 112 MET HA H 4.675 0.02 . 852 115 112 MET HB2 H 2.120 0.02 . 853 115 112 MET HB3 H 1.980 0.02 . 854 115 112 MET HG2 H 2.370 0.02 . 855 115 112 MET HE H 1.730 0.02 . 856 115 112 MET C C 173.368 0.30 . 857 115 112 MET CA C 54.578 0.30 . 858 115 112 MET CB C 36.892 0.30 . 859 115 112 MET CG C 32.680 0.30 . 860 115 112 MET CE C 17.560 0.30 . 861 115 112 MET N N 125.219 0.30 . 862 116 113 THR H H 8.522 0.02 . 863 116 113 THR HA H 4.473 0.02 . 864 116 113 THR HB H 3.936 0.02 . 865 116 113 THR HG1 H 5.197 0.02 . 866 116 113 THR HG2 H 1.119 0.02 . 867 116 113 THR C C 172.454 0.30 . 868 116 113 THR CA C 61.705 0.30 . 869 116 113 THR CB C 69.705 0.30 . 870 116 113 THR CG2 C 21.780 0.30 . 871 116 113 THR N N 119.267 0.30 . 872 117 114 THR H H 8.941 0.02 . 873 117 114 THR HA H 4.672 0.02 . 874 117 114 THR HG1 H 5.340 0.02 . 875 117 114 THR HG2 H 1.420 0.02 . 876 117 114 THR C C 173.469 0.30 . 877 117 114 THR CA C 55.800 0.30 . 878 117 114 THR CB C 68.989 0.30 . 879 117 114 THR CG2 C 21.230 0.30 . 880 117 114 THR N N 117.477 0.30 . 881 118 115 LYS H H 8.496 0.02 . 882 118 115 LYS HA H 4.876 0.02 . 883 118 115 LYS HB2 H 1.660 0.02 . 884 118 115 LYS HG2 H 1.540 0.02 . 885 118 115 LYS HD2 H 1.290 0.02 . 886 118 115 LYS HE2 H 2.690 0.02 . 887 118 115 LYS C C 173.836 0.30 . 888 118 115 LYS CA C 54.142 0.30 . 889 118 115 LYS CB C 36.301 0.30 . 890 118 115 LYS CG C 24.980 0.30 . 891 118 115 LYS CD C 28.100 0.30 . 892 118 115 LYS CE C 42.190 0.30 . 893 118 115 LYS N N 125.448 0.30 . 894 119 116 THR H H 8.471 0.02 . 895 119 116 THR HA H 4.018 0.02 . 896 119 116 THR HG1 H 5.077 0.02 . 897 119 116 THR HG2 H 1.512 0.02 . 898 119 116 THR C C 173.611 0.30 . 899 119 116 THR CA C 58.562 0.30 . 900 119 116 THR CB C 67.023 0.30 . 901 119 116 THR CG2 C 21.860 0.30 . 902 119 116 THR N N 112.027 0.30 . 903 120 117 PRO C C 175.086 0.30 . 904 120 117 PRO CA C 64.417 0.30 . 905 120 117 PRO CB C 30.514 0.30 . 906 121 118 ALA H H 7.557 0.02 . 907 121 118 ALA HA H 4.171 0.02 . 908 121 118 ALA HB H 1.317 0.02 . 909 121 118 ALA C C 176.495 0.30 . 910 121 118 ALA CA C 51.959 0.30 . 911 121 118 ALA CB C 18.395 0.30 . 912 121 118 ALA N N 116.789 0.30 . 913 122 119 GLU H H 7.376 0.02 . 914 122 119 GLU HA H 4.062 0.02 . 915 122 119 GLU HB2 H 2.233 0.02 . 916 122 119 GLU C C 174.064 0.30 . 917 122 119 GLU CA C 55.236 0.30 . 918 122 119 GLU CB C 29.745 0.30 . 919 122 119 GLU N N 119.165 0.30 . 920 123 120 GLN H H 7.720 0.02 . 921 123 120 GLN HA H 3.858 0.02 . 922 123 120 GLN HB2 H 2.186 0.02 . 923 123 120 GLN HB3 H 1.878 0.02 . 924 123 120 GLN HE21 H 7.446 0.02 . 925 123 120 GLN HE22 H 6.760 0.02 . 926 123 120 GLN C C 179.073 0.30 . 927 123 120 GLN CA C 57.193 0.30 . 928 123 120 GLN CB C 29.248 0.30 . 929 123 120 GLN N N 125.445 0.30 . 930 123 120 GLN NE2 N 112.625 0.30 . stop_ save_