data_18922 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignments of the dimeric receiver domain of PmrAn response regulator from Klebsiella pneumonia ; _BMRB_accession_number 18922 _BMRB_flat_file_name bmr18922.str _Entry_type original _Submission_date 2012-12-29 _Accession_date 2012-12-29 _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 Luo Shih-chi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 408 "13C chemical shifts" 352 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-22 original author . stop_ _Original_release_date 2014-04-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of a physical blockage mechanism for the interaction of response regulator PmrA with connector protein PmrD from Klebsiella pneumoniae.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23861396 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luo Shih-Chi . . 2 Lou Yuan-Chao . . 3 Rajasekaran Mahalingam . . 4 Chang Yi-Wei . . 5 Hsiao Chwan-Deng . . 6 Chen Chinpan . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 288 _Journal_issue 35 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25551 _Page_last 25561 _Year 2013 _Details . loop_ _Keyword PmrA 'receiver domain' 'response regulator' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PmrAn dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PmrAn, subunit 1' $PmrAn 'PmrAn, subunit 2' $PmrAn 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_PmrAn _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PmrAn _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; MKILVIEDDALLLQGLILAM QSEGYVCDGVSTAHEAALSL ASNHYSLIVLDLGLPDEDGL HFLSRMRREKMTQPVLILTA RDTLEDRISGLDTGADDYLV KPFALEELNARIRALLRRHN NQG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ILE 4 LEU 5 VAL 6 ILE 7 GLU 8 ASP 9 ASP 10 ALA 11 LEU 12 LEU 13 LEU 14 GLN 15 GLY 16 LEU 17 ILE 18 LEU 19 ALA 20 MET 21 GLN 22 SER 23 GLU 24 GLY 25 TYR 26 VAL 27 CYS 28 ASP 29 GLY 30 VAL 31 SER 32 THR 33 ALA 34 HIS 35 GLU 36 ALA 37 ALA 38 LEU 39 SER 40 LEU 41 ALA 42 SER 43 ASN 44 HIS 45 TYR 46 SER 47 LEU 48 ILE 49 VAL 50 LEU 51 ASP 52 LEU 53 GLY 54 LEU 55 PRO 56 ASP 57 GLU 58 ASP 59 GLY 60 LEU 61 HIS 62 PHE 63 LEU 64 SER 65 ARG 66 MET 67 ARG 68 ARG 69 GLU 70 LYS 71 MET 72 THR 73 GLN 74 PRO 75 VAL 76 LEU 77 ILE 78 LEU 79 THR 80 ALA 81 ARG 82 ASP 83 THR 84 LEU 85 GLU 86 ASP 87 ARG 88 ILE 89 SER 90 GLY 91 LEU 92 ASP 93 THR 94 GLY 95 ALA 96 ASP 97 ASP 98 TYR 99 LEU 100 VAL 101 LYS 102 PRO 103 PHE 104 ALA 105 LEU 106 GLU 107 GLU 108 LEU 109 ASN 110 ALA 111 ARG 112 ILE 113 ARG 114 ALA 115 LEU 116 LEU 117 ARG 118 ARG 119 HIS 120 ASN 121 ASN 122 GLN 123 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 26532 PmrA 100.00 231 100.00 100.00 1.26e-79 BMRB 26535 PmrA 100.00 231 100.00 100.00 1.26e-79 PDB 3W9S "Crystal Structure Analysis Of The N-terminal Receiver Domain Of Response Regulator Pmra" 100.00 131 100.00 100.00 6.66e-81 PDB 4S04 "Crystal Structure Of Klebsiella Pneumoniae Pmra In Complex With Pmra Box Dna" 100.00 232 100.00 100.00 1.36e-79 PDB 4S05 "Crystal Structure Of Klebsiella Pneumoniae Pmra In Complex With Pmra Box Dna" 100.00 232 100.00 100.00 1.36e-79 DBJ BAH62495 "OmpR family response regulator in two-component regulatory system with BasS [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044" 100.00 223 100.00 100.00 4.05e-80 DBJ BAS36450 "transcriptional regulatory protein BasR/PmrA [Klebsiella pneumoniae]" 100.00 223 99.19 100.00 1.72e-79 EMBL CCI78009 "basR [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" 100.00 223 98.37 98.37 2.70e-78 EMBL CCM81779 "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" 100.00 223 100.00 100.00 4.05e-80 EMBL CCM90377 "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" 100.00 223 100.00 100.00 4.05e-80 EMBL CCM95353 "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" 100.00 223 100.00 100.00 4.05e-80 EMBL CCN28862 "transcriptional regulatory protein BasR [Klebsiella pneumoniae subsp. pneumoniae Ecl8]" 100.00 223 100.00 100.00 4.05e-80 GB ABR76243 "response regulator in two-component regulatory system with BasS (OmpR family) [Klebsiella pneumoniae subsp. pneumoniae MGH 7857" 100.00 223 100.00 100.00 4.05e-80 GB ACI11257 "transcriptional regulatory protein BasR [Klebsiella pneumoniae 342]" 100.00 223 99.19 100.00 1.72e-79 GB ADC59454 "two component transcriptional regulator, winged helix family [Klebsiella variicola At-22]" 100.00 223 99.19 100.00 1.72e-79 GB AEJ97287 "DNA-binding transcriptional regulator BasR [Klebsiella pneumoniae KCTC 2242]" 100.00 223 100.00 100.00 4.05e-80 GB AEW60332 "DNA-binding transcriptional regulator BasR [Klebsiella pneumoniae subsp. pneumoniae HS11286]" 100.00 223 100.00 100.00 4.05e-80 REF WP_002895659 "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" 100.00 223 100.00 100.00 4.05e-80 REF WP_004142095 "DNA-binding response regulator [Klebsiella pneumoniae]" 100.00 223 98.37 98.37 2.70e-78 REF WP_004886130 "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" 100.00 223 99.19 100.00 2.19e-79 REF WP_008805743 "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" 100.00 223 99.19 100.00 1.72e-79 REF WP_016947497 "DNA-binding response regulator [Klebsiella pneumoniae]" 100.00 223 99.19 100.00 8.68e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PmrAn 'Klebsiella pneumoniae' 573 Bacteria . Klebsiella pneumoniae 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 $PmrAn 'recombinant technology' . Escherichia coli . pET29b 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PmrAn . mM 0.5 1 '[U-100% 13C; U-100% 15N; U-80% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.15 . M pH 8 . pH pressure 1 . atm temperature 310 . 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 carbons' ppm 0 external direct . . . 1 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 nitrogen ppm 0 external direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PmrAn, subunit 1' _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 1 1 MET C C 173.239 . . 2 1 1 MET CA C 61.669 . . 3 1 1 MET CB C 33.083 . . 4 2 2 LYS H H 8.666 . . 5 2 2 LYS HA H 5.571 . . 6 2 2 LYS HB2 H 1.839 . . 7 2 2 LYS HB3 H 1.839 . . 8 2 2 LYS CA C 54.952 . . 9 2 2 LYS CB C 34.800 . . 10 2 2 LYS N N 123.331 . . 11 3 3 ILE H H 9.117 . . 12 3 3 ILE HA H 4.967 . . 13 3 3 ILE HB H 1.809 . . 14 3 3 ILE C C 175.500 . . 15 3 3 ILE CA C 58.935 . . 16 3 3 ILE CB C 40.112 . . 17 3 3 ILE N N 126.123 . . 18 4 4 LEU H H 7.833 . . 19 4 4 LEU HA H 4.907 . . 20 4 4 LEU HB2 H 1.196 . . 21 4 4 LEU HB3 H 1.196 . . 22 4 4 LEU C C 173.700 . . 23 4 4 LEU CA C 52.296 . . 24 4 4 LEU CB C 41.440 . . 25 4 4 LEU N N 127.731 . . 26 5 5 VAL H H 8.720 . . 27 5 5 VAL HA H 4.605 . . 28 5 5 VAL HB H 1.819 . . 29 5 5 VAL C C 173.960 . . 30 5 5 VAL CA C 60.497 . . 31 5 5 VAL CB C 31.989 . . 32 5 5 VAL N N 126.516 . . 33 6 6 ILE H H 8.622 . . 34 6 6 ILE HA H 4.585 . . 35 6 6 ILE HB H 1.940 . . 36 6 6 ILE C C 173.400 . . 37 6 6 ILE CA C 59.091 . . 38 6 6 ILE CB C 37.378 . . 39 6 6 ILE N N 127.733 . . 40 7 7 GLU H H 8.262 . . 41 7 7 GLU HA H 4.394 . . 42 7 7 GLU HB2 H 1.568 . . 43 7 7 GLU HB3 H 1.568 . . 44 7 7 GLU C C 173.670 . . 45 7 7 GLU CA C 56.202 . . 46 7 7 GLU CB C 30.974 . . 47 7 7 GLU N N 125.211 . . 48 8 8 ASP H H 8.526 . . 49 8 8 ASP HA H 4.655 . . 50 8 8 ASP HB2 H 2.915 . . 51 8 8 ASP HB3 H 2.915 . . 52 8 8 ASP C C 178.614 . . 53 8 8 ASP CA C 54.171 . . 54 8 8 ASP CB C 39.800 . . 55 8 8 ASP N N 122.611 . . 56 9 9 ASP H H 10.388 . . 57 9 9 ASP HA H 4.655 . . 58 9 9 ASP HB2 H 3.207 . . 59 9 9 ASP HB3 H 2.604 . . 60 9 9 ASP C C 176.320 . . 61 9 9 ASP CA C 53.624 . . 62 9 9 ASP CB C 40.034 . . 63 9 9 ASP N N 126.583 . . 64 10 10 ALA H H 8.404 . . 65 10 10 ALA HA H 4.102 . . 66 10 10 ALA HB H 1.548 . . 67 10 10 ALA C C 175.940 . . 68 10 10 ALA CA C 54.952 . . 69 10 10 ALA CB C 40.034 . . 70 10 10 ALA N N 130.103 . . 71 11 11 LEU H H 7.916 . . 72 11 11 LEU HA H 4.233 . . 73 11 11 LEU HB2 H 1.849 . . 74 11 11 LEU HB3 H 1.678 . . 75 11 11 LEU C C 175.190 . . 76 11 11 LEU CA C 56.983 . . 77 11 11 LEU CB C 40.190 . . 78 11 11 LEU N N 118.014 . . 79 12 12 LEU H H 7.736 . . 80 12 12 LEU HA H 4.241 . . 81 12 12 LEU HB2 H 1.628 . . 82 12 12 LEU HB3 H 1.628 . . 83 12 12 LEU C C 180.280 . . 84 12 12 LEU CA C 56.904 . . 85 12 12 LEU CB C 39.878 . . 86 12 12 LEU N N 123.588 . . 87 13 13 LEU H H 8.870 . . 88 13 13 LEU HA H 3.831 . . 89 13 13 LEU HB2 H 1.879 . . 90 13 13 LEU HB3 H 1.406 . . 91 13 13 LEU C C 178.750 . . 92 13 13 LEU CA C 58.232 . . 93 13 13 LEU CB C 40.034 . . 94 13 13 LEU N N 119.483 . . 95 14 14 GLN H H 7.538 . . 96 14 14 GLN HA H 4.052 . . 97 14 14 GLN HB2 H 2.211 . . 98 14 14 GLN HB3 H 2.211 . . 99 14 14 GLN C C 174.700 . . 100 14 14 GLN CA C 58.388 . . 101 14 14 GLN CB C 27.381 . . 102 14 14 GLN N N 114.419 . . 103 15 15 GLY H H 7.754 . . 104 15 15 GLY HA2 H 4.022 . . 105 15 15 GLY HA3 H 4.022 . . 106 15 15 GLY C C 178.830 . . 107 15 15 GLY CA C 46.438 . . 108 15 15 GLY N N 105.751 . . 109 16 16 LEU H H 8.881 . . 110 16 16 LEU HA H 4.183 . . 111 16 16 LEU HB2 H 1.196 . . 112 16 16 LEU HB3 H 2.161 . . 113 16 16 LEU C C 176.960 . . 114 16 16 LEU CA C 57.529 . . 115 16 16 LEU CB C 41.674 . . 116 16 16 LEU N N 124.006 . . 117 17 17 ILE H H 8.310 . . 118 17 17 ILE HA H 3.881 . . 119 17 17 ILE HB H 1.890 . . 120 17 17 ILE C C 178.660 . . 121 17 17 ILE CA C 65.340 . . 122 17 17 ILE CB C 37.144 . . 123 17 17 ILE N N 119.556 . . 124 18 18 LEU H H 7.575 . . 125 18 18 LEU HA H 4.203 . . 126 18 18 LEU HB2 H 1.759 . . 127 18 18 LEU HB3 H 1.940 . . 128 18 18 LEU C C 174.640 . . 129 18 18 LEU CA C 57.451 . . 130 18 18 LEU CB C 40.659 . . 131 18 18 LEU N N 117.783 . . 132 19 19 ALA H H 8.242 . . 133 19 19 ALA HA H 4.253 . . 134 19 19 ALA HB H 1.697 . . 135 19 19 ALA C C 180.490 . . 136 19 19 ALA CA C 54.639 . . 137 19 19 ALA CB C 17.774 . . 138 19 19 ALA N N 122.492 . . 139 20 20 MET H H 8.680 . . 140 20 20 MET HA H 4.575 . . 141 20 20 MET HB2 H 2.885 . . 142 20 20 MET HB3 H 2.483 . . 143 20 20 MET C C 180.930 . . 144 20 20 MET CA C 56.983 . . 145 20 20 MET CB C 33.083 . . 146 20 20 MET N N 117.536 . . 147 21 21 GLN H H 8.545 . . 148 21 21 GLN HA H 4.766 . . 149 21 21 GLN HB2 H 2.453 . . 150 21 21 GLN HB3 H 1.831 . . 151 21 21 GLN C C 179.780 . . 152 21 21 GLN CA C 58.232 . . 153 21 21 GLN CB C 26.678 . . 154 21 21 GLN N N 119.515 . . 155 22 22 SER H H 8.302 . . 156 22 22 SER HA H 4.344 . . 157 22 22 SER HB2 H 4.163 . . 158 22 22 SER C C 181.710 . . 159 22 22 SER CA C 60.966 . . 160 22 22 SER CB C 62.294 . . 161 22 22 SER N N 117.245 . . 162 23 23 GLU H H 7.236 . . 163 23 23 GLU HA H 4.163 . . 164 23 23 GLU HB2 H 1.990 . . 165 23 23 GLU C C 175.630 . . 166 23 23 GLU CA C 55.264 . . 167 23 23 GLU CB C 29.568 . . 168 23 23 GLU N N 118.787 . . 169 24 24 GLY H H 7.603 . . 170 24 24 GLY HA2 H 3.660 . . 171 24 24 GLY HA3 H 4.193 . . 172 24 24 GLY C C 175.710 . . 173 24 24 GLY CA C 44.095 . . 174 24 24 GLY N N 104.736 . . 175 25 25 TYR H H 7.429 . . 176 25 25 TYR HA H 4.947 . . 177 25 25 TYR HB2 H 3.127 . . 178 25 25 TYR C C 174.180 . . 179 25 25 TYR CA C 55.264 . . 180 25 25 TYR CB C 37.850 . . 181 25 25 TYR N N 119.526 . . 182 26 26 VAL H H 8.277 . . 183 26 26 VAL HA H 4.273 . . 184 26 26 VAL HB H 2.060 . . 185 26 26 VAL C C 176.240 . . 186 26 26 VAL CA C 62.372 . . 187 26 26 VAL CB C 31.052 . . 188 26 26 VAL N N 122.060 . . 189 27 27 CYS H H 8.935 . . 190 27 27 CYS HA H 7.065 . . 191 27 27 CYS HB2 H 2.785 . . 192 27 27 CYS HB3 H 2.423 . . 193 27 27 CYS C C 175.500 . . 194 27 27 CYS CA C 56.358 . . 195 27 27 CYS CB C 29.724 . . 196 27 27 CYS N N 127.280 . . 197 28 28 ASP H H 8.691 . . 198 28 28 ASP HA H 5.209 . . 199 28 28 ASP HB2 H 2.694 . . 200 28 28 ASP C C 172.500 . . 201 28 28 ASP CA C 52.374 . . 202 28 28 ASP CB C 42.611 . . 203 28 28 ASP N N 126.783 . . 204 29 29 GLY H H 8.617 . . 205 29 29 GLY HA2 H 3.448 . . 206 29 29 GLY HA3 H 5.621 . . 207 29 29 GLY C C 174.180 . . 208 29 29 GLY CA C 44.642 . . 209 29 29 GLY N N 107.348 . . 210 30 30 VAL H H 9.068 . . 211 30 30 VAL HA H 4.836 . . 212 30 30 VAL HB H 2.242 . . 213 30 30 VAL C C 172.620 . . 214 30 30 VAL CA C 58.623 . . 215 30 30 VAL CB C 34.879 . . 216 30 30 VAL N N 117.820 . . 217 31 31 SER H H 8.234 . . 218 31 31 SER HA H 4.726 . . 219 31 31 SER HB2 H 4.002 . . 220 31 31 SER HB3 H 4.002 . . 221 31 31 SER C C 174.240 . . 222 31 31 SER CA C 58.154 . . 223 31 31 SER CB C 65.574 . . 224 31 31 SER N N 111.338 . . 225 32 32 THR H H 6.928 . . 226 32 32 THR HA H 4.625 . . 227 32 32 THR C C 172.390 . . 228 32 32 THR CA C 58.232 . . 229 32 32 THR CB C 71.588 . . 230 32 32 THR N N 103.585 . . 231 33 33 ALA H H 10.553 . . 232 33 33 ALA HA H 3.479 . . 233 33 33 ALA HB H 1.266 . . 234 33 33 ALA C C 173.840 . . 235 33 33 ALA CA C 54.249 . . 236 33 33 ALA CB C 17.071 . . 237 33 33 ALA N N 128.145 . . 238 34 34 HIS H H 9.582 . . 239 34 34 HIS HA H 4.313 . . 240 34 34 HIS HB2 H 3.056 . . 241 34 34 HIS HB3 H 3.056 . . 242 34 34 HIS C C 180.760 . . 243 34 34 HIS CA C 59.091 . . 244 34 34 HIS CB C 27.459 . . 245 34 34 HIS N N 119.640 . . 246 35 35 GLU H H 7.851 . . 247 35 35 GLU HA H 3.911 . . 248 35 35 GLU HB2 H 2.060 . . 249 35 35 GLU HB3 H 2.060 . . 250 35 35 GLU C C 178.250 . . 251 35 35 GLU CA C 58.779 . . 252 35 35 GLU CB C 29.177 . . 253 35 35 GLU N N 116.846 . . 254 36 36 ALA H H 7.895 . . 255 36 36 ALA HA H 3.891 . . 256 36 36 ALA HB H 1.316 . . 257 36 36 ALA C C 179.890 . . 258 36 36 ALA CA C 55.030 . . 259 36 36 ALA CB C 17.696 . . 260 36 36 ALA N N 123.116 . . 261 37 37 ALA H H 8.484 . . 262 37 37 ALA HA H 4.213 . . 263 37 37 ALA HB H 1.708 . . 264 37 37 ALA C C 178.450 . . 265 37 37 ALA CA C 55.030 . . 266 37 37 ALA CB C 17.227 . . 267 37 37 ALA N N 120.097 . . 268 38 38 LEU H H 7.522 . . 269 38 38 LEU HA H 4.163 . . 270 38 38 LEU HB2 H 1.859 . . 271 38 38 LEU HB3 H 1.988 . . 272 38 38 LEU C C 181.000 . . 273 38 38 LEU CA C 57.450 . . 274 38 38 LEU CB C 40.424 . . 275 38 38 LEU N N 118.153 . . 276 39 39 SER H H 8.285 . . 277 39 39 SER HA H 4.313 . . 278 39 39 SER HB2 H 4.082 . . 279 39 39 SER HB3 H 4.082 . . 280 39 39 SER C C 180.740 . . 281 39 39 SER CA C 63.387 . . 282 39 39 SER CB C 61.825 . . 283 39 39 SER N N 118.181 . . 284 40 40 LEU H H 8.611 . . 285 40 40 LEU HA H 4.414 . . 286 40 40 LEU HB2 H 2.000 . . 287 40 40 LEU HB3 H 1.668 . . 288 40 40 LEU C C 177.100 . . 289 40 40 LEU CA C 57.139 . . 290 40 40 LEU CB C 41.049 . . 291 40 40 LEU N N 121.648 . . 292 41 41 ALA H H 7.356 . . 293 41 41 ALA HA H 4.390 . . 294 41 41 ALA HB H 1.608 . . 295 41 41 ALA C C 177.460 . . 296 41 41 ALA CA C 53.155 . . 297 41 41 ALA CB C 17.770 . . 298 41 41 ALA N N 117.166 . . 299 42 42 SER H H 7.404 . . 300 42 42 SER HA H 4.394 . . 301 42 42 SER HB2 H 1.608 . . 302 42 42 SER HB3 H 1.608 . . 303 42 42 SER C C 178.890 . . 304 42 42 SER CA C 58.700 . . 305 42 42 SER CB C 64.560 . . 306 42 42 SER N N 109.773 . . 307 43 43 ASN H H 7.847 . . 308 43 43 ASN C C 173.080 . . 309 43 43 ASN CA C 51.906 . . 310 43 43 ASN CB C 42.220 . . 311 43 43 ASN N N 118.960 . . 312 44 44 HIS H H 7.283 . . 313 44 44 HIS HA H 4.786 . . 314 44 44 HIS HB2 H 2.925 . . 315 44 44 HIS HB3 H 2.925 . . 316 44 44 HIS CA C 54.093 . . 317 44 44 HIS CB C 28.470 . . 318 44 44 HIS N N 126.611 . . 319 45 45 TYR H H 8.117 . . 320 45 45 TYR HA H 4.484 . . 321 45 45 TYR HB2 H 2.352 . . 322 45 45 TYR HB3 H 2.352 . . 323 45 45 TYR C C 174.470 . . 324 45 45 TYR CA C 57.998 . . 325 45 45 TYR CB C 39.487 . . 326 45 45 TYR N N 122.944 . . 327 46 46 SER H H 9.440 . . 328 46 46 SER HA H 4.504 . . 329 46 46 SER HB2 H 3.992 . . 330 46 46 SER HB3 H 3.629 . . 331 46 46 SER C C 175.460 . . 332 46 46 SER CA C 59.870 . . 333 46 46 SER CB C 63.309 . . 334 46 46 SER N N 116.537 . . 335 47 47 LEU H H 7.201 . . 336 47 47 LEU HA H 4.585 . . 337 47 47 LEU HB2 H 1.779 . . 338 47 47 LEU HB3 H 1.125 . . 339 47 47 LEU C C 172.330 . . 340 47 47 LEU CA C 55.030 . . 341 47 47 LEU CB C 43.470 . . 342 47 47 LEU N N 117.003 . . 343 48 48 ILE H H 8.208 . . 344 48 48 ILE HA H 5.098 . . 345 48 48 ILE HB H 1.839 . . 346 48 48 ILE C C 172.900 . . 347 48 48 ILE CA C 59.169 . . 348 48 48 ILE CB C 40.346 . . 349 48 48 ILE N N 125.134 . . 350 49 49 VAL H H 9.021 . . 351 49 49 VAL HA H 4.846 . . 352 49 49 VAL HB H 1.950 . . 353 49 49 VAL C C 173.710 . . 354 49 49 VAL CA C 60.888 . . 355 49 49 VAL CB C 31.599 . . 356 49 49 VAL N N 129.331 . . 357 50 50 LEU H H 8.760 . . 358 50 50 LEU HA H 4.756 . . 359 50 50 LEU HB2 H 1.618 . . 360 50 50 LEU HB3 H 1.618 . . 361 50 50 LEU C C 173.250 . . 362 50 50 LEU CA C 53.390 . . 363 50 50 LEU CB C 46.830 . . 364 50 50 LEU N N 129.333 . . 365 51 51 ASP H H 8.034 . . 366 51 51 ASP HA H 5.591 . . 367 51 51 ASP HB2 H 2.775 . . 368 51 51 ASP C C 173.630 . . 369 51 51 ASP CA C 50.062 . . 370 51 51 ASP CB C 42.600 . . 371 51 51 ASP N N 128.024 . . 372 52 52 LEU H H 6.480 . . 373 52 52 LEU HA H 4.474 . . 374 52 52 LEU HB2 H 1.457 . . 375 52 52 LEU HB3 H 1.457 . . 376 52 52 LEU C C 174.830 . . 377 52 52 LEU CA C 55.890 . . 378 52 52 LEU CB C 40.503 . . 379 52 52 LEU N N 115.722 . . 380 53 53 GLY H H 8.309 . . 381 53 53 GLY HA2 H 3.649 . . 382 53 53 GLY HA3 H 4.334 . . 383 53 53 GLY C C 178.370 . . 384 53 53 GLY CA C 45.892 . . 385 53 53 GLY N N 106.466 . . 386 54 54 LEU H H 7.280 . . 387 54 54 LEU C C 171.420 . . 388 54 54 LEU CA C 51.670 . . 389 54 54 LEU CB C 41.670 . . 390 54 54 LEU N N 130.883 . . 391 55 55 PRO HA H 4.356 . . 392 55 55 PRO HB2 H 2.483 . . 393 55 55 PRO HB3 H 1.980 . . 394 55 55 PRO CA C 64.560 . . 395 55 55 PRO CB C 31.130 . . 396 56 56 ASP H H 9.270 . . 397 56 56 ASP HA H 4.655 . . 398 56 56 ASP HB2 H 2.825 . . 399 56 56 ASP C C 177.360 . . 400 56 56 ASP CA C 53.390 . . 401 56 56 ASP CB C 39.640 . . 402 56 56 ASP N N 112.254 . . 403 57 57 GLU HA H 4.344 . . 404 57 57 GLU HB2 H 2.020 . . 405 57 57 GLU HB3 H 1.809 . . 406 57 57 GLU C C 175.460 . . 407 57 57 GLU CA C 54.796 . . 408 57 57 GLU CB C 31.677 . . 409 57 57 GLU N N 121.646 . . 410 58 58 ASP H H 8.332 . . 411 58 58 ASP HA H 4.726 . . 412 58 58 ASP HB2 H 2.422 . . 413 58 58 ASP HB3 H 2.704 . . 414 58 58 ASP C C 172.750 . . 415 58 58 ASP CA C 54.796 . . 416 58 58 ASP CB C 43.314 . . 417 58 58 ASP N N 121.527 . . 418 59 59 GLY H H 10.366 . . 419 59 59 GLY HA2 H 2.423 . . 420 59 59 GLY HA3 H 4.464 . . 421 59 59 GLY C C 179.174 . . 422 59 59 GLY CA C 47.300 . . 423 59 59 GLY N N 114.922 . . 424 60 60 LEU H H 9.041 . . 425 60 60 LEU HA H 4.273 . . 426 60 60 LEU HB2 H 1.648 . . 427 60 60 LEU HB3 H 1.648 . . 428 60 60 LEU C C 180.580 . . 429 60 60 LEU CA C 57.370 . . 430 60 60 LEU CB C 39.570 . . 431 60 60 LEU N N 119.931 . . 432 61 61 HIS H H 7.509 . . 433 61 61 HIS HA H 4.494 . . 434 61 61 HIS HB2 H 3.459 . . 435 61 61 HIS HB3 H 3.459 . . 436 61 61 HIS C C 179.800 . . 437 61 61 HIS CA C 56.360 . . 438 61 61 HIS CB C 29.100 . . 439 61 61 HIS N N 120.696 . . 440 62 62 PHE H H 8.061 . . 441 62 62 PHE HA H 4.253 . . 442 62 62 PHE HB2 H 3.157 . . 443 62 62 PHE HB3 H 3.157 . . 444 62 62 PHE C C 181.000 . . 445 62 62 PHE CA C 60.580 . . 446 62 62 PHE CB C 37.770 . . 447 62 62 PHE N N 121.600 . . 448 63 63 LEU H H 8.595 . . 449 63 63 LEU HA H 3.760 . . 450 63 63 LEU HB2 H 2.020 . . 451 63 63 LEU HB3 H 1.627 . . 452 63 63 LEU C C 176.450 . . 453 63 63 LEU CA C 57.220 . . 454 63 63 LEU CB C 40.660 . . 455 63 63 LEU N N 120.486 . . 456 64 64 SER H H 7.954 . . 457 64 64 SER HA H 4.062 . . 458 64 64 SER C C 177.550 . . 459 64 64 SER CA C 60.650 . . 460 64 64 SER CB C 62.140 . . 461 64 64 SER N N 111.688 . . 462 65 65 ARG H H 7.632 . . 463 65 65 ARG HA H 4.012 . . 464 65 65 ARG HB2 H 1.859 . . 465 65 65 ARG HB3 H 1.859 . . 466 65 65 ARG C C 174.400 . . 467 65 65 ARG N N 120.566 . . 468 66 66 MET H H 8.133 . . 469 66 66 MET HA H 4.102 . . 470 66 66 MET C C 178.050 . . 471 66 66 MET CA C 62.168 . . 472 66 66 MET CB C 31.235 . . 473 66 66 MET N N 118.073 . . 474 67 67 ARG H H 8.229 . . 475 67 67 ARG HA H 4.173 . . 476 67 67 ARG HB2 H 1.427 . . 477 67 67 ARG HB3 H 1.427 . . 478 67 67 ARG C C 179.270 . . 479 67 67 ARG CA C 57.140 . . 480 67 67 ARG CB C 28.240 . . 481 67 67 ARG N N 115.601 . . 482 68 68 ARG H H 8.083 . . 483 68 68 ARG HA H 4.203 . . 484 68 68 ARG HB2 H 2.081 . . 485 68 68 ARG HB3 H 2.081 . . 486 68 68 ARG C C 181.020 . . 487 68 68 ARG CA C 58.700 . . 488 68 68 ARG CB C 28.630 . . 489 68 68 ARG N N 122.326 . . 490 69 69 GLU H H 7.636 . . 491 69 69 GLU HA H 4.434 . . 492 69 69 GLU HB2 H 2.412 . . 493 69 69 GLU HB3 H 1.970 . . 494 69 69 GLU C C 173.480 . . 495 69 69 GLU CA C 55.500 . . 496 69 69 GLU CB C 27.620 . . 497 69 69 GLU N N 118.039 . . 498 70 70 LYS H H 7.721 . . 499 70 70 LYS HA H 3.834 . . 500 70 70 LYS HB2 H 2.211 . . 501 70 70 LYS HB3 H 2.071 . . 502 70 70 LYS C C 175.020 . . 503 70 70 LYS CA C 56.980 . . 504 70 70 LYS CB C 27.380 . . 505 70 70 LYS N N 111.648 . . 506 71 71 MET H H 7.936 . . 507 71 71 MET HA H 3.831 . . 508 71 71 MET HB2 H 2.211 . . 509 71 71 MET HB3 H 2.071 . . 510 71 71 MET C C 175.300 . . 511 71 71 MET CA C 56.120 . . 512 71 71 MET CB C 30.040 . . 513 71 71 MET N N 119.012 . . 514 72 72 THR H H 8.199 . . 515 72 72 THR HA H 4.434 . . 516 72 72 THR C C 181.730 . . 517 72 72 THR CA C 61.750 . . 518 72 72 THR CB C 68.850 . . 519 72 72 THR N N 115.535 . . 520 73 73 GLN H H 9.231 . . 521 73 73 GLN C C 175.140 . . 522 73 73 GLN CA C 56.120 . . 523 73 73 GLN CB C 25.980 . . 524 73 73 GLN N N 125.117 . . 525 74 74 PRO HA H 4.857 . . 526 74 74 PRO HB2 H 1.970 . . 527 74 74 PRO HB3 H 1.970 . . 528 74 74 PRO CA C 62.060 . . 529 74 74 PRO CB C 30.970 . . 530 75 75 VAL H H 9.044 . . 531 75 75 VAL HA H 4.967 . . 532 75 75 VAL HB H 1.749 . . 533 75 75 VAL C C 175.060 . . 534 75 75 VAL CA C 59.790 . . 535 75 75 VAL CB C 35.500 . . 536 75 75 VAL N N 122.024 . . 537 76 76 LEU H H 8.941 . . 538 76 76 LEU HA H 4.534 . . 539 76 76 LEU HB2 H 1.598 . . 540 76 76 LEU HB3 H 1.216 . . 541 76 76 LEU C C 174.140 . . 542 76 76 LEU CA C 52.843 . . 543 76 76 LEU CB C 43.160 . . 544 76 76 LEU N N 130.916 . . 545 77 77 ILE H H 7.996 . . 546 77 77 ILE HA H 4.746 . . 547 77 77 ILE HB H 1.407 . . 548 77 77 ILE C C 174.900 . . 549 77 77 ILE CA C 60.500 . . 550 77 77 ILE CB C 36.910 . . 551 77 77 ILE N N 127.829 . . 552 78 78 LEU H H 7.770 . . 553 78 78 LEU HA H 5.229 . . 554 78 78 LEU HB2 H 1.648 . . 555 78 78 LEU HB3 H 1.648 . . 556 78 78 LEU C C 172.750 . . 557 78 78 LEU CA C 52.610 . . 558 78 78 LEU CB C 43.710 . . 559 78 78 LEU N N 132.562 . . 560 79 79 THR H H 7.604 . . 561 79 79 THR HA H 5.259 . . 562 79 79 THR HB H 3.951 . . 563 79 79 THR C C 174.510 . . 564 79 79 THR CA C 58.940 . . 565 79 79 THR CB C 69.320 . . 566 79 79 THR N N 113.937 . . 567 80 80 ALA H H 8.027 . . 568 80 80 ALA HA H 4.585 . . 569 80 80 ALA HB H 1.608 . . 570 80 80 ALA C C 171.650 . . 571 80 80 ALA CA C 52.300 . . 572 80 80 ALA CB C 18.240 . . 573 80 80 ALA N N 128.587 . . 574 81 81 ARG H H 8.775 . . 575 81 81 ARG HA H 4.404 . . 576 81 81 ARG HB2 H 2.121 . . 577 81 81 ARG HB3 H 2.121 . . 578 81 81 ARG C C 177.970 . . 579 81 81 ARG CA C 57.690 . . 580 81 81 ARG CB C 26.520 . . 581 81 81 ARG N N 119.928 . . 582 82 82 ASP H H 8.339 . . 583 82 82 ASP HA H 4.897 . . 584 82 82 ASP HB2 H 3.046 . . 585 82 82 ASP HB3 H 2.664 . . 586 82 82 ASP C C 176.070 . . 587 82 82 ASP CA C 53.470 . . 588 82 82 ASP CB C 41.750 . . 589 82 82 ASP N N 126.546 . . 590 83 83 THR H H 8.101 . . 591 83 83 THR HA H 4.022 . . 592 83 83 THR C C 177.350 . . 593 83 83 THR CA C 61.750 . . 594 83 83 THR CB C 71.120 . . 595 83 83 THR N N 112.528 . . 596 84 84 LEU H H 8.846 . . 597 84 84 LEU HA H 3.901 . . 598 84 84 LEU HB2 H 1.719 . . 599 84 84 LEU HB3 H 1.719 . . 600 84 84 LEU C C 178.980 . . 601 84 84 LEU CA C 58.150 . . 602 84 84 LEU CB C 40.190 . . 603 84 84 LEU N N 124.060 . . 604 85 85 GLU H H 8.699 . . 605 85 85 GLU HA H 3.841 . . 606 85 85 GLU HB2 H 1.970 . . 607 85 85 GLU HB3 H 1.970 . . 608 85 85 GLU C C 177.780 . . 609 85 85 GLU CA C 59.480 . . 610 85 85 GLU CB C 27.690 . . 611 85 85 GLU N N 115.735 . . 612 86 86 ASP H H 7.670 . . 613 86 86 ASP HA H 5.249 . . 614 86 86 ASP HB2 H 2.785 . . 615 86 86 ASP HB3 H 2.785 . . 616 86 86 ASP C C 179.500 . . 617 86 86 ASP CA C 57.760 . . 618 86 86 ASP CB C 40.420 . . 619 86 86 ASP N N 120.038 . . 620 87 87 ARG H H 7.488 . . 621 87 87 ARG HA H 2.272 . . 622 87 87 ARG HB2 H 1.105 . . 623 87 87 ARG HB3 H 1.708 . . 624 87 87 ARG C C 177.760 . . 625 87 87 ARG CA C 58.080 . . 626 87 87 ARG CB C 28.940 . . 627 87 87 ARG N N 119.835 . . 628 88 88 ILE H H 7.788 . . 629 88 88 ILE HA H 3.318 . . 630 88 88 ILE HB H 1.739 . . 631 88 88 ILE C C 177.670 . . 632 88 88 ILE CA C 64.720 . . 633 88 88 ILE CB C 36.830 . . 634 88 88 ILE N N 115.603 . . 635 89 89 SER H H 8.040 . . 636 89 89 SER HA H 4.334 . . 637 89 89 SER HB2 H 3.981 . . 638 89 89 SER HB3 H 3.981 . . 639 89 89 SER C C 177.570 . . 640 89 89 SER CA C 60.810 . . 641 89 89 SER CB C 62.300 . . 642 89 89 SER N N 113.000 . . 643 90 90 GLY H H 8.599 . . 644 90 90 GLY HA2 H 3.821 . . 645 90 90 GLY HA3 H 3.821 . . 646 90 90 GLY C C 178.530 . . 647 90 90 GLY CA C 47.380 . . 648 90 90 GLY N N 110.361 . . 649 91 91 LEU H H 7.658 . . 650 91 91 LEU HA H 4.474 . . 651 91 91 LEU HB2 H 1.859 . . 652 91 91 LEU HB3 H 1.648 . . 653 91 91 LEU C C 174.320 . . 654 91 91 LEU CA C 57.685 . . 655 91 91 LEU CB C 40.112 . . 656 91 91 LEU N N 121.621 . . 657 92 92 ASP H H 9.072 . . 658 92 92 ASP HA H 4.504 . . 659 92 92 ASP HB2 H 2.775 . . 660 92 92 ASP HB3 H 2.775 . . 661 92 92 ASP C C 175.500 . . 662 92 92 ASP CA C 56.904 . . 663 92 92 ASP CB C 38.862 . . 664 92 92 ASP N N 119.939 . . 665 93 93 THR H H 7.917 . . 666 93 93 THR HA H 4.364 . . 667 93 93 THR HB H 4.142 . . 668 93 93 THR C C 178.580 . . 669 93 93 THR CA C 64.715 . . 670 93 93 THR CB C 68.308 . . 671 93 93 THR N N 115.726 . . 672 94 94 GLY H H 7.727 . . 673 94 94 GLY HA2 H 3.660 . . 674 94 94 GLY HA3 H 4.582 . . 675 94 94 GLY C C 173.930 . . 676 94 94 GLY CA C 44.640 . . 677 94 94 GLY N N 104.016 . . 678 95 95 ALA H H 8.000 . . 679 95 95 ALA HA H 4.303 . . 680 95 95 ALA HB H 1.527 . . 681 95 95 ALA C C 174.030 . . 682 95 95 ALA CA C 52.062 . . 683 95 95 ALA CB C 18.550 . . 684 95 95 ALA N N 125.602 . . 685 96 96 ASP H H 8.800 . . 686 96 96 ASP HA H 4.755 . . 687 96 96 ASP HB2 H 2.382 . . 688 96 96 ASP HB3 H 2.765 . . 689 96 96 ASP C C 173.550 . . 690 96 96 ASP CA C 55.190 . . 691 96 96 ASP CB C 43.860 . . 692 96 96 ASP N N 116.590 . . 693 97 97 ASP H H 8.010 . . 694 97 97 ASP HA H 4.615 . . 695 97 97 ASP HB2 H 2.775 . . 696 97 97 ASP HB3 H 2.423 . . 697 97 97 ASP C C 174.700 . . 698 97 97 ASP CA C 52.300 . . 699 97 97 ASP CB C 42.770 . . 700 97 97 ASP N N 111.971 . . 701 98 98 TYR H H 10.614 . . 702 98 98 TYR HA H 4.937 . . 703 98 98 TYR HB2 H 3.257 . . 704 98 98 TYR HB3 H 2.372 . . 705 98 98 TYR C C 173.730 . . 706 98 98 TYR CA C 57.061 . . 707 98 98 TYR CB C 41.830 . . 708 98 98 TYR N N 127.515 . . 709 99 99 LEU H H 9.738 . . 710 99 99 LEU HA H 4.919 . . 711 99 99 LEU HB2 H 1.814 . . 712 99 99 LEU HB3 H 1.090 . . 713 99 99 LEU C C 173.150 . . 714 99 99 LEU CA C 53.160 . . 715 99 99 LEU CB C 44.960 . . 716 99 99 LEU N N 135.281 . . 717 100 100 VAL H H 7.646 . . 718 100 100 VAL HA H 5.252 . . 719 100 100 VAL HB H 2.237 . . 720 100 100 VAL C C 173.460 . . 721 100 100 VAL CA C 59.285 . . 722 100 100 VAL CB C 32.170 . . 723 100 100 VAL N N 118.599 . . 724 101 101 LYS H H 7.511 . . 725 101 101 LYS C C 177.750 . . 726 101 101 LYS CA C 58.194 . . 727 101 101 LYS CB C 33.806 . . 728 101 101 LYS N N 120.011 . . 729 102 102 PRO HA H 5.966 . . 730 102 102 PRO HB2 H 2.397 . . 731 102 102 PRO HB3 H 2.108 . . 732 102 102 PRO CA C 62.140 . . 733 102 102 PRO CB C 33.400 . . 734 103 103 PHE H H 7.581 . . 735 103 103 PHE HA H 5.220 . . 736 103 103 PHE HB2 H 3.415 . . 737 103 103 PHE HB3 H 2.915 . . 738 103 103 PHE C C 174.410 . . 739 103 103 PHE CA C 53.702 . . 740 103 103 PHE CB C 41.362 . . 741 103 103 PHE N N 116.182 . . 742 104 104 ALA H H 9.120 . . 743 104 104 ALA C C 173.288 . . 744 104 104 ALA CA C 49.563 . . 745 104 104 ALA CB C 18.790 . . 746 104 104 ALA N N 123.690 . . 747 105 105 LEU HA H 4.132 . . 748 105 105 LEU HB2 H 1.756 . . 749 105 105 LEU HB3 H 1.756 . . 750 105 105 LEU CA C 57.920 . . 751 105 105 LEU CB C 40.581 . . 752 106 106 GLU H H 9.965 . . 753 106 106 GLU HA H 4.241 . . 754 106 106 GLU HB2 H 2.172 . . 755 106 106 GLU HB3 H 1.916 . . 756 106 106 GLU C C 177.860 . . 757 106 106 GLU CA C 59.091 . . 758 106 106 GLU CB C 28.240 . . 759 106 106 GLU N N 114.440 . . 760 107 107 GLU H H 7.406 . . 761 107 107 GLU HA H 3.984 . . 762 107 107 GLU HB2 H 1.984 . . 763 107 107 GLU HB3 H 1.984 . . 764 107 107 GLU C C 180.430 . . 765 107 107 GLU CA C 59.091 . . 766 107 107 GLU CB C 27.772 . . 767 107 107 GLU N N 118.767 . . 768 108 108 LEU H H 7.806 . . 769 108 108 LEU HA H 3.812 . . 770 108 108 LEU HB2 H 2.358 . . 771 108 108 LEU HB3 H 1.270 . . 772 108 108 LEU C C 177.600 . . 773 108 108 LEU CA C 58.860 . . 774 108 108 LEU CB C 39.330 . . 775 108 108 LEU N N 121.059 . . 776 109 109 ASN H H 8.559 . . 777 109 109 ASN HA H 4.471 . . 778 109 109 ASN HB2 H 2.749 . . 779 109 109 ASN HB3 H 2.749 . . 780 109 109 ASN C C 177.970 . . 781 109 109 ASN CA C 55.576 . . 782 109 109 ASN CB C 36.754 . . 783 109 109 ASN N N 115.437 . . 784 110 110 ALA H H 7.591 . . 785 110 110 ALA HA H 4.369 . . 786 110 110 ALA HB H 1.628 . . 787 110 110 ALA C C 178.530 . . 788 110 110 ALA CA C 54.874 . . 789 110 110 ALA CB C 18.321 . . 790 110 110 ALA N N 122.212 . . 791 111 111 ARG H H 8.366 . . 792 111 111 ARG HA H 4.196 . . 793 111 111 ARG HB2 H 1.154 . . 794 111 111 ARG HB3 H 1.154 . . 795 111 111 ARG C C 177.250 . . 796 111 111 ARG CA C 59.872 . . 797 111 111 ARG CB C 28.318 . . 798 111 111 ARG N N 120.330 . . 799 112 112 ILE H H 8.468 . . 800 112 112 ILE HA H 3.600 . . 801 112 112 ILE HB H 2.025 . . 802 112 112 ILE C C 178.680 . . 803 112 112 ILE CA C 65.808 . . 804 112 112 ILE CB C 36.285 . . 805 112 112 ILE N N 121.505 . . 806 113 113 ARG H H 7.990 . . 807 113 113 ARG HA H 4.010 . . 808 113 113 ARG HB2 H 1.763 . . 809 113 113 ARG HB3 H 1.763 . . 810 113 113 ARG C C 177.760 . . 811 113 113 ARG CA C 60.263 . . 812 113 113 ARG CB C 30.115 . . 813 113 113 ARG N N 117.085 . . 814 114 114 ALA H H 7.885 . . 815 114 114 ALA HA H 4.025 . . 816 114 114 ALA HB H 1.712 . . 817 114 114 ALA C C 179.710 . . 818 114 114 ALA CA C 54.874 . . 819 114 114 ALA CB C 17.149 . . 820 114 114 ALA N N 121.011 . . 821 115 115 LEU H H 8.196 . . 822 115 115 LEU C C 180.777 . . 823 115 115 LEU CA C 56.200 . . 824 115 115 LEU CB C 41.520 . . 825 115 115 LEU N N 120.508 . . 826 116 116 LEU H H 8.191 . . 827 116 116 LEU HA H 4.658 . . 828 116 116 LEU HB2 H 3.958 . . 829 116 116 LEU HB3 H 3.958 . . 830 116 116 LEU C C 178.073 . . 831 116 116 LEU CA C 56.480 . . 832 116 116 LEU CB C 40.740 . . 833 116 116 LEU N N 117.245 . . 834 117 117 ARG H H 7.811 . . 835 117 117 ARG HA H 4.299 . . 836 117 117 ARG HB2 H 1.718 . . 837 117 117 ARG HB3 H 1.718 . . 838 117 117 ARG C C 174.130 . . 839 117 117 ARG CA C 57.842 . . 840 117 117 ARG CB C 29.440 . . 841 117 117 ARG N N 118.880 . . 842 118 118 ARG H H 7.489 . . 843 118 118 ARG HA H 4.207 . . 844 118 118 ARG HB2 H 1.578 . . 845 118 118 ARG HB3 H 1.578 . . 846 118 118 ARG C C 178.188 . . 847 118 118 ARG CA C 56.012 . . 848 118 118 ARG CB C 29.443 . . 849 118 118 ARG N N 117.295 . . 850 119 119 HIS H H 7.991 . . 851 119 119 HIS HA H 4.006 . . 852 119 119 HIS C C 179.250 . . 853 119 119 HIS CA C 56.168 . . 854 119 119 HIS CB C 29.287 . . 855 119 119 HIS N N 119.262 . . 856 120 120 ASN H H 7.927 . . 857 120 120 ASN HA H 4.006 . . 858 120 120 ASN HB2 H 2.065 . . 859 120 120 ASN HB3 H 2.065 . . 860 120 120 ASN C C 174.222 . . 861 120 120 ASN CA C 56.640 . . 862 120 120 ASN CB C 29.130 . . 863 120 120 ASN N N 120.810 . . 864 121 121 ASN H H 7.791 . . 865 121 121 ASN HA H 4.244 . . 866 121 121 ASN HB2 H 1.937 . . 867 121 121 ASN HB3 H 1.724 . . 868 121 121 ASN C C 173.960 . . 869 121 121 ASN CA C 53.312 . . 870 121 121 ASN CB C 38.081 . . 871 121 121 ASN N N 120.275 . . 872 122 122 GLN H H 8.063 . . 873 122 122 GLN C C 180.780 . . 874 122 122 GLN CA C 55.967 . . 875 122 122 GLN CB C 28.318 . . 876 122 122 GLN N N 119.896 . . 877 123 123 GLY CA C 45.033 . . stop_ save_