data_11590 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the PhoP DNA-Binding Domain from Mycobacterium tuberculosis ; _BMRB_accession_number 11590 _BMRB_flat_file_name bmr11590.str _Entry_type original _Submission_date 2015-04-17 _Accession_date 2015-05-06 _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 Macdonald Ramsay . . 2 Sarkar Dibyendu . . 3 Amer Brendan R. . 4 Clubb Robert T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 541 "13C chemical shifts" 453 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-10 original BMRB . stop_ _Original_release_date 2015-08-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PhoP DNA-binding domain from Mycobacterium tuberculosis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26209027 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macdonald Ramsay . . 2 Sarkar Dibyendu . . 3 Amer Brendan R. . 4 Clubb Robert T. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PhoP DNA-Binding Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PhoP DNA-Binding Domain' $PhoPC 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_PhoPC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PhoPC _Molecular_mass 14723.858 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MKGNKEPRNVRLTFADIELD EETHEVWKAGQPVSLSPTEF TLLRYFVINAGTVLSKPKIL DHVWRYDFGGDVNVVESYVS YLRRKIDTGEKRLLHTLRGV GYVLREPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 120 MET 2 121 GLY 3 122 SER 4 123 SER 5 124 HIS 6 125 HIS 7 126 HIS 8 127 HIS 9 128 HIS 10 129 HIS 11 130 SER 12 131 SER 13 132 GLY 14 133 LEU 15 134 VAL 16 135 PRO 17 136 ARG 18 137 GLY 19 138 SER 20 139 HIS 21 140 MET 22 141 LYS 23 142 GLY 24 143 ASN 25 144 LYS 26 145 GLU 27 146 PRO 28 147 ARG 29 148 ASN 30 149 VAL 31 150 ARG 32 151 LEU 33 152 THR 34 153 PHE 35 154 ALA 36 155 ASP 37 156 ILE 38 157 GLU 39 158 LEU 40 159 ASP 41 160 GLU 42 161 GLU 43 162 THR 44 163 HIS 45 164 GLU 46 165 VAL 47 166 TRP 48 167 LYS 49 168 ALA 50 169 GLY 51 170 GLN 52 171 PRO 53 172 VAL 54 173 SER 55 174 LEU 56 175 SER 57 176 PRO 58 177 THR 59 178 GLU 60 179 PHE 61 180 THR 62 181 LEU 63 182 LEU 64 183 ARG 65 184 TYR 66 185 PHE 67 186 VAL 68 187 ILE 69 188 ASN 70 189 ALA 71 190 GLY 72 191 THR 73 192 VAL 74 193 LEU 75 194 SER 76 195 LYS 77 196 PRO 78 197 LYS 79 198 ILE 80 199 LEU 81 200 ASP 82 201 HIS 83 202 VAL 84 203 TRP 85 204 ARG 86 205 TYR 87 206 ASP 88 207 PHE 89 208 GLY 90 209 GLY 91 210 ASP 92 211 VAL 93 212 ASN 94 213 VAL 95 214 VAL 96 215 GLU 97 216 SER 98 217 TYR 99 218 VAL 100 219 SER 101 220 TYR 102 221 LEU 103 222 ARG 104 223 ARG 105 224 LYS 106 225 ILE 107 226 ASP 108 227 THR 109 228 GLY 110 229 GLU 111 230 LYS 112 231 ARG 113 232 LEU 114 233 LEU 115 234 HIS 116 235 THR 117 236 LEU 118 237 ARG 119 238 GLY 120 239 VAL 121 240 GLY 122 241 TYR 123 242 VAL 124 243 LEU 125 244 ARG 126 245 GLU 127 246 PRO 128 247 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 PDB 2RV8 "Solution Structure Of The Phop Dna-binding Domain From Mycobacterium Tuberculosis" 100.00 128 100.00 100.00 4.30e-87 PDB 3R0J "Structure Of Phop From Mycobacterium Tuberculosis" 83.59 250 100.00 100.00 7.50e-70 DBJ BAH25072 "putative two component system response transcriptional positive regulator [Mycobacterium bovis BCG str. Tokyo 172]" 83.59 247 100.00 100.00 3.13e-70 DBJ BAL64650 "two component system response transcriptionalpositive regulator [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 83.59 247 100.00 100.00 2.84e-70 DBJ BAQ04662 "two component system response transcriptional positive regulator [Mycobacterium tuberculosis str. Kurono]" 83.59 247 100.00 100.00 3.13e-70 DBJ GAA44527 "two component system response transcriptional positive regulator [Mycobacterium tuberculosis NCGM2209]" 83.59 247 100.00 100.00 3.13e-70 EMBL CAL70795 "Possible two component system response transcriptional positive regulator phoP [Mycobacterium bovis BCG str. Pasteur 1173P2]" 83.59 247 100.00 100.00 3.13e-70 EMBL CCC25841 "putative two component system response transcriptional positive regulator PHOP [Mycobacterium africanum GM041182]" 83.59 247 100.00 100.00 3.13e-70 EMBL CCC43101 "putative two component system response transcriptional positive regulator PHOP [Mycobacterium canettii CIPT 140010059]" 83.59 247 100.00 100.00 3.13e-70 EMBL CCC63367 "possible two component system response transcriptional positive regulator phoP [Mycobacterium bovis BCG str. Moreau RDJ]" 83.59 247 100.00 100.00 3.13e-70 EMBL CCE36300 "phoP [Mycobacterium tuberculosis UT205]" 83.59 247 100.00 100.00 3.13e-70 GB AAK45023 "DNA-binding response regulator [Mycobacterium tuberculosis CDC1551]" 83.59 240 100.00 100.00 3.32e-70 GB ABQ72495 "putative two component system response transcriptional positive regulator PhoP [Mycobacterium tuberculosis H37Ra]" 83.59 247 99.07 99.07 3.52e-69 GB ABR05115 "two component system response transcriptional positive regulator phoP [Mycobacterium tuberculosis F11]" 83.59 247 100.00 100.00 3.13e-70 GB ACT23809 "two component system transcriptional regulator phoP [Mycobacterium tuberculosis KZN 1435]" 83.59 247 100.00 100.00 3.13e-70 GB AEB02905 "two component system transcriptional regulator phoP [Mycobacterium tuberculosis KZN 4207]" 83.59 247 100.00 100.00 3.13e-70 REF NP_215271 "two component system response transcriptional positive regulator PhoP [Mycobacterium tuberculosis H37Rv]" 83.59 247 100.00 100.00 3.13e-70 REF NP_854438 "two component system response transcriptional positive regulator PHOP [Mycobacterium bovis AF2122/97]" 83.59 247 100.00 100.00 3.13e-70 REF WP_003403867 "MULTISPECIES: DNA-binding response regulator [Mycobacterium]" 83.59 247 100.00 100.00 3.13e-70 REF WP_003915456 "DNA-binding response regulator [Mycobacterium tuberculosis]" 83.59 240 100.00 100.00 3.32e-70 REF WP_012054162 "DNA-binding response regulator [Mycobacterium tuberculosis]" 83.59 247 99.07 99.07 3.52e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PhoPC 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis 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 $PhoPC 'recombinant technology' . Escherichia coli . pET-15b 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 'sodium phosphate' 50.0 mM 'natural abundance' 'sodium chloride' 300.0 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' $PhoPC 1.0 mM '[U-100% 13C; U-100% 15N]' H2O 93 % 'natural abundance' D2O 7 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50.0 mM 'natural abundance' 'sodium chloride' 300.0 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' $PhoPC 1.0 mM '[U-100% 13C; U-100% 15N]' D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.25 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'dihedral angle calculation' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task statistics stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address Herrmann . . stop_ loop_ _Task 'data analysis' 'peak picking' 'structure solution' stop_ _Details . save_ save_ATNOS-CANDID _Saveframe_category software _Name ATNOS-CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avence _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avence _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avence _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_C(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HBHANH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _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' 350 . mM 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 external direct . . . 1.0 'liquid anhydrous ammonia' N 15 nitrogen 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' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCA' '3D 1H-13C NOESY aromatic' '3D HCCH-TOCSY' '3D C(CO)NH' '3D HCCH-COSY' '3D HN(CA)CO' '3D HBHANH' '3D (H)CCH-TOCSY' 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 'PhoP DNA-Binding Domain' _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 1 142 23 GLY H H 8.433 . 1 2 142 23 GLY HA2 H 3.898 . 2 3 142 23 GLY HA3 H 3.898 . 2 4 142 23 GLY C C 173.719 . 1 5 142 23 GLY CA C 44.713 . 1 6 142 23 GLY N N 110.120 . 1 7 143 24 ASN H H 8.297 . 1 8 143 24 ASN HA H 4.669 . 1 9 143 24 ASN HB2 H 2.696 . 2 10 143 24 ASN HB3 H 2.736 . 2 11 143 24 ASN C C 175.049 . 1 12 143 24 ASN CA C 52.709 . 1 13 143 24 ASN CB C 38.640 . 1 14 143 24 ASN N N 118.772 . 1 15 144 25 LYS H H 8.304 . 1 16 144 25 LYS HA H 4.245 . 1 17 144 25 LYS HB2 H 1.759 . 2 18 144 25 LYS HB3 H 1.759 . 2 19 144 25 LYS C C 176.112 . 1 20 144 25 LYS CA C 55.918 . 1 21 144 25 LYS CB C 32.567 . 1 22 144 25 LYS CG C 24.357 . 1 23 144 25 LYS CD C 28.583 . 1 24 144 25 LYS CE C 41.623 . 1 25 144 25 LYS N N 121.303 . 1 26 145 26 GLU H H 8.320 . 1 27 145 26 GLU HA H 4.482 . 1 28 145 26 GLU HB3 H 1.861 . 2 29 145 26 GLU HG3 H 2.215 . 2 30 145 26 GLU CA C 54.071 . 1 31 145 26 GLU CB C 29.386 . 1 32 145 26 GLU CG C 35.652 . 1 33 145 26 GLU N N 123.253 . 1 34 146 27 PRO HA H 4.337 . 1 35 146 27 PRO HB2 H 1.852 . 2 36 146 27 PRO HB3 H 2.204 . 2 37 146 27 PRO HG2 H 1.875 . 2 38 146 27 PRO HG3 H 1.969 . 2 39 146 27 PRO HD2 H 3.621 . 2 40 146 27 PRO HD3 H 3.727 . 2 41 146 27 PRO C C 176.628 . 1 42 146 27 PRO CA C 62.840 . 1 43 146 27 PRO CB C 31.765 . 1 44 146 27 PRO CG C 27.098 . 1 45 146 27 PRO CD C 50.348 . 1 46 147 28 ARG H H 8.407 . 1 47 147 28 ARG HA H 4.254 . 1 48 147 28 ARG HB3 H 1.719 . 2 49 147 28 ARG C C 175.780 . 1 50 147 28 ARG CA C 55.588 . 1 51 147 28 ARG CB C 31.030 . 1 52 147 28 ARG CG C 27.120 . 1 53 147 28 ARG CD C 42.809 . 1 54 147 28 ARG N N 121.177 . 1 55 148 29 ASN H H 8.499 . 1 56 148 29 ASN HA H 4.718 . 1 57 148 29 ASN HB2 H 2.717 . 2 58 148 29 ASN HB3 H 2.826 . 2 59 148 29 ASN C C 174.919 . 1 60 148 29 ASN CA C 52.772 . 1 61 148 29 ASN CB C 38.570 . 1 62 148 29 ASN N N 120.623 . 1 63 149 30 VAL H H 8.336 . 1 64 149 30 VAL HA H 4.176 . 1 65 149 30 VAL HB H 2.162 . 1 66 149 30 VAL HG1 H 0.913 . 2 67 149 30 VAL HG2 H 0.908 . 2 68 149 30 VAL C C 175.433 . 1 69 149 30 VAL CA C 61.908 . 1 70 149 30 VAL CB C 32.309 . 1 71 149 30 VAL CG1 C 19.981 . 2 72 149 30 VAL CG2 C 21.128 . 2 73 149 30 VAL N N 120.120 . 1 74 150 31 ARG H H 8.185 . 1 75 150 31 ARG HA H 5.102 . 1 76 150 31 ARG HB2 H 1.683 . 2 77 150 31 ARG HB3 H 1.683 . 2 78 150 31 ARG HG2 H 1.454 . 2 79 150 31 ARG HG3 H 1.677 . 2 80 150 31 ARG HD2 H 2.983 . 2 81 150 31 ARG HD3 H 2.983 . 2 82 150 31 ARG C C 176.292 . 1 83 150 31 ARG CA C 54.507 . 1 84 150 31 ARG CB C 31.253 . 1 85 150 31 ARG CG C 27.319 . 1 86 150 31 ARG CD C 43.105 . 1 87 150 31 ARG N N 123.263 . 1 88 151 32 LEU H H 8.923 . 1 89 151 32 LEU HA H 4.683 . 1 90 151 32 LEU HB2 H 1.463 . 2 91 151 32 LEU HB3 H 1.667 . 2 92 151 32 LEU HG H 1.631 . 1 93 151 32 LEU HD1 H 0.840 . 2 94 151 32 LEU HD2 H 0.837 . 2 95 151 32 LEU C C 176.281 . 1 96 151 32 LEU CA C 53.640 . 1 97 151 32 LEU CB C 43.664 . 1 98 151 32 LEU CG C 26.869 . 1 99 151 32 LEU CD1 C 25.204 . 2 100 151 32 LEU CD2 C 23.381 . 2 101 151 32 LEU N N 124.609 . 1 102 152 33 THR H H 8.455 . 1 103 152 33 THR HA H 5.335 . 1 104 152 33 THR HB H 4.006 . 1 105 152 33 THR HG2 H 1.040 . 1 106 152 33 THR C C 173.885 . 1 107 152 33 THR CA C 59.653 . 1 108 152 33 THR CB C 71.793 . 1 109 152 33 THR CG2 C 20.994 . 1 110 152 33 THR N N 114.287 . 1 111 153 34 PHE H H 8.600 . 1 112 153 34 PHE HA H 4.270 . 1 113 153 34 PHE HB2 H 2.492 . 2 114 153 34 PHE HB3 H 3.198 . 2 115 153 34 PHE C C 173.355 . 1 116 153 34 PHE CA C 58.738 . 1 117 153 34 PHE CB C 42.804 . 1 118 153 34 PHE N N 122.820 . 1 119 154 35 ALA H H 8.587 . 1 120 154 35 ALA HA H 3.491 . 1 121 154 35 ALA HB H 1.051 . 1 122 154 35 ALA C C 175.777 . 1 123 154 35 ALA CA C 53.424 . 1 124 154 35 ALA CB C 16.150 . 1 125 154 35 ALA N N 130.322 . 1 126 155 36 ASP H H 8.077 . 1 127 155 36 ASP HA H 4.684 . 1 128 155 36 ASP HB2 H 2.508 . 2 129 155 36 ASP HB3 H 2.943 . 2 130 155 36 ASP C C 175.604 . 1 131 155 36 ASP CA C 52.350 . 1 132 155 36 ASP CB C 39.320 . 1 133 155 36 ASP N N 121.683 . 1 134 156 37 ILE H H 9.125 . 1 135 156 37 ILE HA H 4.988 . 1 136 156 37 ILE HB H 2.246 . 1 137 156 37 ILE HG12 H 2.028 . 2 138 156 37 ILE HG13 H 2.028 . 2 139 156 37 ILE HG2 H 0.860 . 1 140 156 37 ILE HD1 H 0.963 . 1 141 156 37 ILE C C 175.093 . 1 142 156 37 ILE CA C 60.780 . 1 143 156 37 ILE CB C 39.641 . 1 144 156 37 ILE CG1 C 28.131 . 1 145 156 37 ILE CG2 C 17.909 . 1 146 156 37 ILE CD1 C 14.441 . 1 147 156 37 ILE N N 123.621 . 1 148 157 38 GLU H H 9.120 . 1 149 157 38 GLU HA H 5.401 . 1 150 157 38 GLU HB2 H 1.979 . 2 151 157 38 GLU HB3 H 2.023 . 2 152 157 38 GLU HG2 H 2.111 . 2 153 157 38 GLU HG3 H 2.111 . 2 154 157 38 GLU C C 174.402 . 1 155 157 38 GLU CA C 54.238 . 1 156 157 38 GLU CB C 34.695 . 1 157 157 38 GLU CG C 36.547 . 1 158 157 38 GLU N N 126.991 . 1 159 158 39 LEU H H 9.407 . 1 160 158 39 LEU HA H 5.560 . 1 161 158 39 LEU HB2 H 1.686 . 2 162 158 39 LEU HB3 H 1.686 . 2 163 158 39 LEU HG H 1.752 . 1 164 158 39 LEU HD1 H 0.632 . 2 165 158 39 LEU HD2 H 0.397 . 2 166 158 39 LEU C C 174.402 . 1 167 158 39 LEU CA C 54.397 . 1 168 158 39 LEU CB C 45.172 . 1 169 158 39 LEU CG C 27.334 . 1 170 158 39 LEU CD1 C 25.638 . 2 171 158 39 LEU CD2 C 26.329 . 2 172 158 39 LEU N N 121.944 . 1 173 159 40 ASP H H 9.154 . 1 174 159 40 ASP HA H 5.285 . 1 175 159 40 ASP HB2 H 2.453 . 2 176 159 40 ASP HB3 H 3.483 . 2 177 159 40 ASP C C 177.157 . 1 178 159 40 ASP CA C 52.713 . 1 179 159 40 ASP CB C 44.565 . 1 180 159 40 ASP N N 123.141 . 1 181 160 41 GLU H H 9.350 . 1 182 160 41 GLU HA H 4.182 . 1 183 160 41 GLU HB2 H 2.157 . 2 184 160 41 GLU HB3 H 2.157 . 2 185 160 41 GLU HG2 H 2.062 . 2 186 160 41 GLU HG3 H 2.416 . 2 187 160 41 GLU C C 176.978 . 1 188 160 41 GLU CA C 59.353 . 1 189 160 41 GLU CB C 31.079 . 1 190 160 41 GLU CG C 38.218 . 1 191 160 41 GLU N N 124.369 . 1 192 161 42 GLU H H 8.981 . 1 193 161 42 GLU HA H 4.270 . 1 194 161 42 GLU HB2 H 2.132 . 2 195 161 42 GLU HB3 H 2.132 . 2 196 161 42 GLU HG2 H 2.127 . 2 197 161 42 GLU HG3 H 2.127 . 2 198 161 42 GLU C C 178.355 . 1 199 161 42 GLU CA C 57.721 . 1 200 161 42 GLU CB C 30.072 . 1 201 161 42 GLU CG C 36.032 . 1 202 161 42 GLU N N 118.235 . 1 203 162 43 THR H H 8.462 . 1 204 162 43 THR HA H 4.072 . 1 205 162 43 THR HB H 4.182 . 1 206 162 43 THR HG2 H 1.090 . 1 207 162 43 THR C C 176.463 . 1 208 162 43 THR CA C 61.538 . 1 209 162 43 THR CB C 69.387 . 1 210 162 43 THR CG2 C 21.587 . 1 211 162 43 THR N N 109.183 . 1 212 163 44 HIS H H 8.140 . 1 213 163 44 HIS HA H 3.696 . 1 214 163 44 HIS HB2 H 2.286 . 2 215 163 44 HIS HB3 H 3.068 . 2 216 163 44 HIS C C 173.010 . 1 217 163 44 HIS CA C 56.035 . 1 218 163 44 HIS CB C 24.299 . 1 219 163 44 HIS N N 114.140 . 1 220 164 45 GLU H H 7.517 . 1 221 164 45 GLU HA H 3.872 . 1 222 164 45 GLU HB2 H 0.923 . 2 223 164 45 GLU HB3 H 1.345 . 2 224 164 45 GLU HG2 H 1.755 . 2 225 164 45 GLU HG3 H 1.956 . 2 226 164 45 GLU C C 174.401 . 1 227 164 45 GLU CA C 56.441 . 1 228 164 45 GLU CB C 33.257 . 1 229 164 45 GLU CG C 37.488 . 1 230 164 45 GLU N N 118.187 . 1 231 165 46 VAL H H 7.434 . 1 232 165 46 VAL HA H 4.865 . 1 233 165 46 VAL HB H 1.890 . 1 234 165 46 VAL HG1 H 1.066 . 2 235 165 46 VAL HG2 H 0.733 . 2 236 165 46 VAL C C 173.886 . 1 237 165 46 VAL CA C 60.216 . 1 238 165 46 VAL CB C 35.249 . 1 239 165 46 VAL CG1 C 22.932 . 2 240 165 46 VAL CG2 C 21.177 . 2 241 165 46 VAL N N 118.815 . 1 242 166 47 TRP H H 9.568 . 1 243 166 47 TRP HA H 5.281 . 1 244 166 47 TRP HB2 H 2.532 . 2 245 166 47 TRP HB3 H 3.085 . 2 246 166 47 TRP HD1 H 6.528 . 1 247 166 47 TRP HE1 H 10.203 . 1 248 166 47 TRP HZ2 H 7.211 . 1 249 166 47 TRP HH2 H 6.977 . 1 250 166 47 TRP C C 174.267 . 1 251 166 47 TRP CA C 57.002 . 1 252 166 47 TRP CB C 34.056 . 1 253 166 47 TRP CD1 C 124.350 . 1 254 166 47 TRP N N 126.263 . 1 255 166 47 TRP NE1 N 129.027 . 1 256 167 48 LYS H H 9.054 . 1 257 167 48 LYS HA H 5.166 . 1 258 167 48 LYS HB2 H 1.431 . 2 259 167 48 LYS HB3 H 1.981 . 2 260 167 48 LYS HG3 H 1.099 . 2 261 167 48 LYS HE2 H 2.813 . 2 262 167 48 LYS HE3 H 3.088 . 2 263 167 48 LYS C C 176.294 . 1 264 167 48 LYS CA C 52.990 . 1 265 167 48 LYS CB C 34.827 . 1 266 167 48 LYS CG C 25.145 . 1 267 167 48 LYS CD C 29.159 . 1 268 167 48 LYS CE C 42.132 . 1 269 167 48 LYS N N 121.684 . 1 270 168 49 ALA H H 10.061 . 1 271 168 49 ALA HA H 4.138 . 1 272 168 49 ALA HB H 1.481 . 1 273 168 49 ALA C C 177.494 . 1 274 168 49 ALA CA C 52.949 . 1 275 168 49 ALA CB C 16.833 . 1 276 168 49 ALA N N 134.417 . 1 277 169 50 GLY H H 9.262 . 1 278 169 50 GLY HA2 H 3.509 . 2 279 169 50 GLY HA3 H 4.158 . 2 280 169 50 GLY C C 173.713 . 1 281 169 50 GLY CA C 44.941 . 1 282 169 50 GLY N N 103.491 . 1 283 170 51 GLN H H 8.100 . 1 284 170 51 GLN HA H 5.050 . 1 285 170 51 GLN HB2 H 2.088 . 2 286 170 51 GLN HB3 H 2.219 . 2 287 170 51 GLN HG2 H 2.370 . 2 288 170 51 GLN HG3 H 2.448 . 2 289 170 51 GLN C C 173.541 . 1 290 170 51 GLN CA C 51.676 . 1 291 170 51 GLN CB C 29.292 . 1 292 170 51 GLN CG C 32.842 . 1 293 170 51 GLN N N 121.186 . 1 294 171 52 PRO HA H 4.474 . 1 295 171 52 PRO HB2 H 1.730 . 2 296 171 52 PRO HB3 H 2.028 . 2 297 171 52 PRO HG2 H 2.013 . 2 298 171 52 PRO HG3 H 2.143 . 2 299 171 52 PRO HD2 H 3.817 . 2 300 171 52 PRO HD3 H 4.064 . 2 301 171 52 PRO CA C 62.928 . 1 302 171 52 PRO CB C 32.178 . 1 303 171 52 PRO CG C 27.388 . 1 304 171 52 PRO CD C 50.721 . 1 305 172 53 VAL HA H 4.155 . 1 306 172 53 VAL HB H 1.523 . 1 307 172 53 VAL HG1 H 0.837 . 2 308 172 53 VAL HG2 H 0.713 . 2 309 172 53 VAL C C 174.898 . 1 310 172 53 VAL CA C 60.410 . 1 311 172 53 VAL CB C 34.857 . 1 312 172 53 VAL CG1 C 20.956 . 2 313 172 53 VAL CG2 C 21.390 . 2 314 173 54 SER H H 8.672 . 1 315 173 54 SER HA H 4.477 . 1 316 173 54 SER HB3 H 3.648 . 2 317 173 54 SER C C 173.180 . 1 318 173 54 SER CA C 57.006 . 1 319 173 54 SER CB C 62.561 . 1 320 173 54 SER N N 122.486 . 1 321 174 55 LEU H H 8.490 . 1 322 174 55 LEU HA H 4.763 . 1 323 174 55 LEU HB2 H 1.773 . 2 324 174 55 LEU HB3 H 1.773 . 2 325 174 55 LEU HG H 1.542 . 1 326 174 55 LEU HD1 H 0.754 . 2 327 174 55 LEU HD2 H 0.736 . 2 328 174 55 LEU C C 176.980 . 1 329 174 55 LEU CA C 52.899 . 1 330 174 55 LEU CB C 43.429 . 1 331 174 55 LEU CG C 26.875 . 1 332 174 55 LEU CD1 C 27.356 . 2 333 174 55 LEU CD2 C 24.233 . 2 334 174 55 LEU N N 127.005 . 1 335 175 56 SER H H 9.371 . 1 336 175 56 SER HA H 4.708 . 1 337 175 56 SER HB2 H 3.915 . 2 338 175 56 SER HB3 H 4.410 . 2 339 175 56 SER CA C 56.571 . 1 340 175 56 SER CB C 62.403 . 1 341 175 56 SER N N 121.232 . 1 342 176 57 PRO HA H 4.391 . 1 343 176 57 PRO HB2 H 1.910 . 2 344 176 57 PRO HB3 H 2.345 . 2 345 176 57 PRO HG2 H 1.932 . 2 346 176 57 PRO HG3 H 2.132 . 2 347 176 57 PRO HD2 H 3.880 . 2 348 176 57 PRO HD3 H 3.880 . 2 349 176 57 PRO CA C 66.229 . 1 350 176 57 PRO CB C 31.492 . 1 351 176 57 PRO CG C 27.807 . 1 352 176 57 PRO CD C 49.673 . 1 353 177 58 THR HA H 3.622 . 1 354 177 58 THR HB H 3.761 . 1 355 177 58 THR HG2 H 0.359 . 1 356 177 58 THR C C 175.939 . 1 357 177 58 THR CA C 66.396 . 1 358 177 58 THR CB C 68.145 . 1 359 177 58 THR CG2 C 21.707 . 1 360 178 59 GLU H H 7.575 . 1 361 178 59 GLU HA H 3.725 . 1 362 178 59 GLU HB2 H 1.875 . 2 363 178 59 GLU HB3 H 2.568 . 2 364 178 59 GLU HG2 H 2.248 . 2 365 178 59 GLU HG3 H 2.505 . 2 366 178 59 GLU C C 177.667 . 1 367 178 59 GLU CA C 59.844 . 1 368 178 59 GLU CB C 30.828 . 1 369 178 59 GLU CG C 37.594 . 1 370 178 59 GLU N N 120.381 . 1 371 179 60 PHE H H 9.077 . 1 372 179 60 PHE HA H 3.623 . 1 373 179 60 PHE HB2 H 3.005 . 2 374 179 60 PHE HB3 H 3.140 . 2 375 179 60 PHE C C 175.957 . 1 376 179 60 PHE CA C 62.466 . 1 377 179 60 PHE CB C 38.522 . 1 378 179 60 PHE N N 119.535 . 1 379 180 61 THR H H 8.326 . 1 380 180 61 THR HA H 3.559 . 1 381 180 61 THR HB H 4.037 . 1 382 180 61 THR HG2 H 1.125 . 1 383 180 61 THR CA C 66.527 . 1 384 180 61 THR CB C 67.971 . 1 385 180 61 THR CG2 C 22.233 . 1 386 180 61 THR N N 116.935 . 1 387 181 62 LEU HA H 3.802 . 1 388 181 62 LEU HB2 H 1.194 . 2 389 181 62 LEU HB3 H 1.993 . 2 390 181 62 LEU HG H 1.477 . 1 391 181 62 LEU HD1 H 0.923 . 2 392 181 62 LEU HD2 H 0.737 . 2 393 181 62 LEU C C 176.455 . 1 394 181 62 LEU CA C 57.445 . 1 395 181 62 LEU CB C 41.639 . 1 396 181 62 LEU CG C 26.640 . 1 397 181 62 LEU CD1 C 27.121 . 2 398 181 62 LEU CD2 C 24.525 . 2 399 182 63 LEU H H 8.632 . 1 400 182 63 LEU HA H 3.995 . 1 401 182 63 LEU HB2 H 1.450 . 2 402 182 63 LEU HB3 H 1.653 . 2 403 182 63 LEU HD1 H 0.843 . 2 404 182 63 LEU HD2 H 0.757 . 2 405 182 63 LEU C C 177.669 . 1 406 182 63 LEU CA C 57.757 . 1 407 182 63 LEU CB C 40.195 . 1 408 182 63 LEU CG C 26.683 . 1 409 182 63 LEU CD1 C 21.783 . 2 410 182 63 LEU CD2 C 27.811 . 2 411 182 63 LEU N N 119.112 . 1 412 183 64 ARG H H 8.654 . 1 413 183 64 ARG HA H 3.278 . 1 414 183 64 ARG HB2 H 0.934 . 2 415 183 64 ARG HB3 H 1.525 . 2 416 183 64 ARG HG2 H 1.182 . 2 417 183 64 ARG HG3 H 1.182 . 2 418 183 64 ARG HD2 H 2.956 . 2 419 183 64 ARG HD3 H 3.127 . 2 420 183 64 ARG C C 176.119 . 1 421 183 64 ARG CA C 59.786 . 1 422 183 64 ARG CB C 28.557 . 1 423 183 64 ARG CD C 43.067 . 1 424 183 64 ARG N N 117.698 . 1 425 184 65 TYR H H 7.621 . 1 426 184 65 TYR HA H 3.933 . 1 427 184 65 TYR HB2 H 2.687 . 2 428 184 65 TYR HB3 H 2.832 . 2 429 184 65 TYR HD1 H 6.236 . 3 430 184 65 TYR HD2 H 6.236 . 3 431 184 65 TYR HE1 H 6.173 . 3 432 184 65 TYR HE2 H 6.173 . 3 433 184 65 TYR C C 178.185 . 1 434 184 65 TYR CA C 60.675 . 1 435 184 65 TYR CB C 38.045 . 1 436 184 65 TYR CD1 C 130.735 . 3 437 184 65 TYR CD2 C 130.735 . 3 438 184 65 TYR CE1 C 117.906 . 3 439 184 65 TYR CE2 C 117.906 . 3 440 184 65 TYR N N 119.036 . 1 441 185 66 PHE H H 7.909 . 1 442 185 66 PHE HA H 3.809 . 1 443 185 66 PHE HB2 H 2.813 . 2 444 185 66 PHE HB3 H 3.011 . 2 445 185 66 PHE C C 177.149 . 1 446 185 66 PHE CA C 62.609 . 1 447 185 66 PHE CB C 38.722 . 1 448 185 66 PHE N N 116.975 . 1 449 186 67 VAL H H 8.310 . 1 450 186 67 VAL HA H 3.138 . 1 451 186 67 VAL HB H 1.900 . 1 452 186 67 VAL HG1 H 0.732 . 2 453 186 67 VAL HG2 H 0.706 . 2 454 186 67 VAL C C 179.734 . 1 455 186 67 VAL CA C 66.623 . 1 456 186 67 VAL CB C 31.212 . 1 457 186 67 VAL CG1 C 22.946 . 2 458 186 67 VAL CG2 C 21.642 . 2 459 186 67 VAL N N 117.353 . 1 460 187 68 ILE H H 8.723 . 1 461 187 68 ILE HA H 3.886 . 1 462 187 68 ILE HB H 1.797 . 1 463 187 68 ILE HG12 H 1.313 . 2 464 187 68 ILE HG13 H 1.356 . 2 465 187 68 ILE HG2 H 0.825 . 1 466 187 68 ILE HD1 H 0.761 . 1 467 187 68 ILE C C 176.467 . 1 468 187 68 ILE CA C 64.006 . 1 469 187 68 ILE CB C 37.146 . 1 470 187 68 ILE CG1 C 27.400 . 1 471 187 68 ILE CG2 C 17.051 . 1 472 187 68 ILE CD1 C 13.091 . 1 473 187 68 ILE N N 118.528 . 1 474 188 69 ASN H H 6.876 . 1 475 188 69 ASN HA H 4.781 . 1 476 188 69 ASN HB2 H 2.236 . 2 477 188 69 ASN HB3 H 2.547 . 2 478 188 69 ASN C C 174.554 . 1 479 188 69 ASN CA C 52.259 . 1 480 188 69 ASN CB C 39.438 . 1 481 188 69 ASN N N 116.956 . 1 482 189 70 ALA H H 6.978 . 1 483 189 70 ALA HA H 3.877 . 1 484 189 70 ALA HB H 1.047 . 1 485 189 70 ALA C C 178.877 . 1 486 189 70 ALA CA C 54.983 . 1 487 189 70 ALA CB C 17.940 . 1 488 189 70 ALA N N 124.887 . 1 489 190 71 GLY H H 8.895 . 1 490 190 71 GLY HA2 H 3.351 . 2 491 190 71 GLY HA3 H 4.326 . 2 492 190 71 GLY C C 173.544 . 1 493 190 71 GLY CA C 45.514 . 1 494 190 71 GLY N N 110.639 . 1 495 191 72 THR H H 8.303 . 1 496 191 72 THR HA H 4.318 . 1 497 191 72 THR HB H 4.056 . 1 498 191 72 THR HG2 H 1.042 . 1 499 191 72 THR C C 172.340 . 1 500 191 72 THR CA C 61.278 . 1 501 191 72 THR CB C 69.678 . 1 502 191 72 THR CG2 C 21.218 . 1 503 191 72 THR N N 118.974 . 1 504 192 73 VAL H H 8.573 . 1 505 192 73 VAL HA H 3.788 . 1 506 192 73 VAL HB H 1.848 . 1 507 192 73 VAL HG1 H 0.758 . 2 508 192 73 VAL HG2 H 0.593 . 2 509 192 73 VAL C C 175.252 . 1 510 192 73 VAL CA C 63.050 . 1 511 192 73 VAL CB C 30.705 . 1 512 192 73 VAL CG1 C 21.013 . 2 513 192 73 VAL CG2 C 21.042 . 2 514 192 73 VAL N N 126.861 . 1 515 193 74 LEU H H 9.330 . 1 516 193 74 LEU HA H 4.559 . 1 517 193 74 LEU HB2 H 1.066 . 2 518 193 74 LEU HB3 H 1.834 . 2 519 193 74 LEU HG H 1.719 . 1 520 193 74 LEU HD1 H 0.431 . 2 521 193 74 LEU HD2 H 0.188 . 2 522 193 74 LEU C C 175.261 . 1 523 193 74 LEU CA C 52.900 . 1 524 193 74 LEU CB C 43.615 . 1 525 193 74 LEU CG C 24.792 . 1 526 193 74 LEU CD1 C 22.249 . 2 527 193 74 LEU CD2 C 25.369 . 2 528 193 74 LEU N N 131.617 . 1 529 194 75 SER H H 8.039 . 1 530 194 75 SER HA H 4.799 . 1 531 194 75 SER HB2 H 4.074 . 2 532 194 75 SER HB3 H 4.259 . 2 533 194 75 SER C C 174.222 . 1 534 194 75 SER CA C 56.247 . 1 535 194 75 SER CB C 64.616 . 1 536 194 75 SER N N 119.047 . 1 537 195 76 LYS H H 9.196 . 1 538 195 76 LYS HA H 4.243 . 1 539 195 76 LYS C C 175.433 . 1 540 195 76 LYS CA C 62.399 . 1 541 195 76 LYS CB C 29.949 . 1 542 195 76 LYS N N 118.721 . 1 543 196 77 PRO HA H 4.168 . 1 544 196 77 PRO HB2 H 1.767 . 2 545 196 77 PRO HB3 H 2.326 . 2 546 196 77 PRO HG2 H 1.894 . 2 547 196 77 PRO HG3 H 2.117 . 2 548 196 77 PRO HD2 H 3.791 . 2 549 196 77 PRO HD3 H 3.836 . 2 550 196 77 PRO C C 178.696 . 1 551 196 77 PRO CA C 65.876 . 1 552 196 77 PRO CB C 30.965 . 1 553 196 77 PRO CG C 28.184 . 1 554 196 77 PRO CD C 49.820 . 1 555 197 78 LYS H H 7.312 . 1 556 197 78 LYS HA H 4.106 . 1 557 197 78 LYS HB2 H 1.966 . 2 558 197 78 LYS HB3 H 2.097 . 2 559 197 78 LYS C C 179.735 . 1 560 197 78 LYS CA C 59.287 . 1 561 197 78 LYS CB C 31.858 . 1 562 197 78 LYS CG C 25.372 . 1 563 197 78 LYS CD C 29.154 . 1 564 197 78 LYS CE C 41.471 . 1 565 197 78 LYS N N 117.972 . 1 566 198 79 ILE H H 8.173 . 1 567 198 79 ILE HA H 3.461 . 1 568 198 79 ILE HB H 1.932 . 1 569 198 79 ILE HG12 H 0.599 . 2 570 198 79 ILE HG13 H 1.995 . 2 571 198 79 ILE HG2 H 0.855 . 1 572 198 79 ILE HD1 H 0.802 . 1 573 198 79 ILE C C 177.842 . 1 574 198 79 ILE CA C 65.580 . 1 575 198 79 ILE CB C 38.085 . 1 576 198 79 ILE CG1 C 29.840 . 1 577 198 79 ILE CG2 C 19.427 . 1 578 198 79 ILE CD1 C 14.887 . 1 579 198 79 ILE N N 119.985 . 1 580 199 80 LEU H H 8.658 . 1 581 199 80 LEU HA H 4.129 . 1 582 199 80 LEU HB2 H 1.576 . 2 583 199 80 LEU HB3 H 1.576 . 2 584 199 80 LEU HG H 1.488 . 1 585 199 80 LEU HD1 H 0.550 . 2 586 199 80 LEU HD2 H 0.550 . 2 587 199 80 LEU C C 178.872 . 1 588 199 80 LEU CA C 58.382 . 1 589 199 80 LEU CB C 41.976 . 1 590 199 80 LEU CG C 26.399 . 1 591 199 80 LEU CD1 C 24.640 . 2 592 199 80 LEU CD2 C 24.640 . 2 593 199 80 LEU N N 120.552 . 1 594 200 81 ASP H H 7.841 . 1 595 200 81 ASP HA H 4.147 . 1 596 200 81 ASP HB2 H 2.450 . 2 597 200 81 ASP HB3 H 2.653 . 2 598 200 81 ASP C C 176.637 . 1 599 200 81 ASP CA C 56.267 . 1 600 200 81 ASP CB C 41.422 . 1 601 200 81 ASP N N 115.587 . 1 602 201 82 HIS H H 7.564 . 1 603 201 82 HIS HA H 3.968 . 1 604 201 82 HIS HB2 H 2.298 . 2 605 201 82 HIS HB3 H 2.338 . 2 606 201 82 HIS HD2 H 6.182 . 1 607 201 82 HIS C C 175.758 . 1 608 201 82 HIS CA C 58.847 . 1 609 201 82 HIS CB C 29.292 . 1 610 201 82 HIS CD2 C 121.883 . 1 611 201 82 HIS N N 114.083 . 1 612 202 83 VAL H H 8.147 . 1 613 202 83 VAL HA H 3.258 . 1 614 202 83 VAL HB H 1.584 . 1 615 202 83 VAL HG1 H 0.446 . 2 616 202 83 VAL HG2 H -0.572 . 2 617 202 83 VAL C C 175.262 . 1 618 202 83 VAL CA C 63.799 . 1 619 202 83 VAL CB C 31.301 . 1 620 202 83 VAL CG1 C 22.403 . 2 621 202 83 VAL CG2 C 19.712 . 2 622 202 83 VAL N N 116.574 . 1 623 203 84 TRP H H 7.610 . 1 624 203 84 TRP HA H 4.412 . 1 625 203 84 TRP HB2 H 3.000 . 2 626 203 84 TRP HB3 H 3.060 . 2 627 203 84 TRP HD1 H 7.029 . 1 628 203 84 TRP HE1 H 9.797 . 1 629 203 84 TRP HZ2 H 6.154 . 1 630 203 84 TRP HZ3 H 6.557 . 1 631 203 84 TRP HH2 H 6.532 . 1 632 203 84 TRP CA C 60.204 . 1 633 203 84 TRP CB C 29.381 . 1 634 203 84 TRP CD1 C 126.454 . 1 635 203 84 TRP CZ2 C 114.573 . 1 636 203 84 TRP CZ3 C 119.741 . 1 637 203 84 TRP CH2 C 122.116 . 1 638 203 84 TRP N N 119.816 . 1 639 203 84 TRP NE1 N 129.081 . 1 640 204 85 ARG H H 7.439 . 1 641 204 85 ARG HA H 4.021 . 1 642 204 85 ARG C C 176.468 . 1 643 204 85 ARG CA C 57.082 . 1 644 204 85 ARG CB C 29.386 . 1 645 204 85 ARG CG C 26.405 . 1 646 204 85 ARG CD C 42.813 . 1 647 204 85 ARG N N 118.354 . 1 648 205 86 TYR H H 7.969 . 1 649 205 86 TYR HA H 4.426 . 1 650 205 86 TYR HB2 H 2.803 . 2 651 205 86 TYR HB3 H 3.003 . 2 652 205 86 TYR C C 175.048 . 1 653 205 86 TYR CA C 57.512 . 1 654 205 86 TYR CB C 38.129 . 1 655 205 86 TYR N N 116.835 . 1 656 206 87 ASP H H 7.968 . 1 657 206 87 ASP HA H 4.516 . 1 658 206 87 ASP HB2 H 2.545 . 2 659 206 87 ASP HB3 H 2.545 . 2 660 206 87 ASP C C 175.606 . 1 661 206 87 ASP CA C 53.333 . 1 662 206 87 ASP CB C 40.293 . 1 663 206 87 ASP N N 120.008 . 1 664 207 88 PHE H H 7.841 . 1 665 207 88 PHE HA H 4.450 . 1 666 207 88 PHE HB2 H 2.929 . 2 667 207 88 PHE HB3 H 3.089 . 2 668 207 88 PHE C C 176.458 . 1 669 207 88 PHE CA C 57.566 . 1 670 207 88 PHE CB C 38.768 . 1 671 207 88 PHE N N 120.049 . 1 672 208 89 GLY H H 8.331 . 1 673 208 89 GLY HA2 H 3.713 . 2 674 208 89 GLY HA3 H 3.713 . 2 675 208 89 GLY C C 174.558 . 1 676 208 89 GLY CA C 45.247 . 1 677 208 89 GLY N N 111.276 . 1 678 209 90 GLY H H 7.045 . 1 679 209 90 GLY HA2 H 3.587 . 2 680 209 90 GLY HA3 H 3.587 . 2 681 209 90 GLY C C 172.844 . 1 682 209 90 GLY CA C 44.713 . 1 683 209 90 GLY N N 106.870 . 1 684 210 91 ASP H H 7.682 . 1 685 210 91 ASP HA H 4.628 . 1 686 210 91 ASP HB2 H 2.567 . 2 687 210 91 ASP HB3 H 2.728 . 2 688 210 91 ASP C C 176.469 . 1 689 210 91 ASP CA C 52.893 . 1 690 210 91 ASP CB C 41.375 . 1 691 210 91 ASP N N 120.000 . 1 692 211 92 VAL H H 8.248 . 1 693 211 92 VAL HA H 3.888 . 1 694 211 92 VAL HB H 2.164 . 1 695 211 92 VAL HG1 H 0.913 . 2 696 211 92 VAL HG2 H 0.887 . 2 697 211 92 VAL C C 176.637 . 1 698 211 92 VAL CA C 63.294 . 1 699 211 92 VAL CB C 31.551 . 1 700 211 92 VAL CG1 C 20.921 . 2 701 211 92 VAL CG2 C 19.046 . 2 702 211 92 VAL N N 119.006 . 1 703 212 93 ASN H H 8.537 . 1 704 212 93 ASN HA H 4.666 . 1 705 212 93 ASN HB2 H 2.786 . 2 706 212 93 ASN HB3 H 2.786 . 2 707 212 93 ASN C C 176.637 . 1 708 212 93 ASN CA C 54.267 . 1 709 212 93 ASN CB C 37.649 . 1 710 212 93 ASN N N 120.217 . 1 711 213 94 VAL H H 7.552 . 1 712 213 94 VAL HA H 3.835 . 1 713 213 94 VAL HB H 1.818 . 1 714 213 94 VAL HG1 H 0.466 . 2 715 213 94 VAL HG2 H 0.201 . 2 716 213 94 VAL C C 176.637 . 1 717 213 94 VAL CA C 64.741 . 1 718 213 94 VAL CB C 31.400 . 1 719 213 94 VAL CG1 C 20.518 . 2 720 213 94 VAL CG2 C 19.622 . 2 721 213 94 VAL N N 119.682 . 1 722 214 95 VAL H H 7.331 . 1 723 214 95 VAL HA H 3.399 . 1 724 214 95 VAL HB H 2.073 . 1 725 214 95 VAL HG1 H 0.961 . 2 726 214 95 VAL HG2 H 0.961 . 2 727 214 95 VAL C C 176.733 . 1 728 214 95 VAL CA C 66.868 . 1 729 214 95 VAL CB C 31.294 . 1 730 214 95 VAL CG1 C 22.959 . 2 731 214 95 VAL CG2 C 22.959 . 2 732 214 95 VAL N N 119.648 . 1 733 215 96 GLU H H 8.100 . 1 734 215 96 GLU HA H 3.880 . 1 735 215 96 GLU HB2 H 1.936 . 2 736 215 96 GLU HB3 H 2.095 . 2 737 215 96 GLU HG2 H 2.288 . 2 738 215 96 GLU HG3 H 2.392 . 2 739 215 96 GLU C C 179.709 . 1 740 215 96 GLU CA C 59.357 . 1 741 215 96 GLU CB C 28.646 . 1 742 215 96 GLU CG C 35.888 . 1 743 215 96 GLU N N 118.433 . 1 744 216 97 SER H H 7.951 . 1 745 216 97 SER HA H 3.895 . 1 746 216 97 SER HB2 H 3.541 . 2 747 216 97 SER HB3 H 3.799 . 2 748 216 97 SER C C 179.729 . 1 749 216 97 SER CA C 61.163 . 1 750 216 97 SER CB C 61.896 . 1 751 216 97 SER N N 114.674 . 1 752 217 98 TYR H H 8.195 . 1 753 217 98 TYR HA H 3.975 . 1 754 217 98 TYR HB2 H 2.846 . 2 755 217 98 TYR HB3 H 3.234 . 2 756 217 98 TYR HD1 H 7.298 . 3 757 217 98 TYR HD2 H 7.298 . 3 758 217 98 TYR HE1 H 6.915 . 3 759 217 98 TYR HE2 H 6.915 . 3 760 217 98 TYR C C 178.702 . 1 761 217 98 TYR CA C 62.505 . 1 762 217 98 TYR CB C 38.178 . 1 763 217 98 TYR CD1 C 132.657 . 3 764 217 98 TYR CD2 C 132.657 . 3 765 217 98 TYR CE1 C 118.300 . 3 766 217 98 TYR CE2 C 118.300 . 3 767 217 98 TYR N N 120.036 . 1 768 218 99 VAL H H 8.730 . 1 769 218 99 VAL HA H 3.378 . 1 770 218 99 VAL HB H 1.806 . 1 771 218 99 VAL HG1 H 0.478 . 2 772 218 99 VAL HG2 H 0.464 . 2 773 218 99 VAL C C 177.666 . 1 774 218 99 VAL CA C 67.871 . 1 775 218 99 VAL CB C 30.606 . 1 776 218 99 VAL CG1 C 20.614 . 2 777 218 99 VAL CG2 C 22.551 . 2 778 218 99 VAL N N 120.841 . 1 779 219 100 SER H H 7.767 . 1 780 219 100 SER HA H 4.107 . 1 781 219 100 SER HB2 H 3.883 . 2 782 219 100 SER HB3 H 3.940 . 2 783 219 100 SER C C 177.667 . 1 784 219 100 SER CA C 61.943 . 1 785 219 100 SER CB C 61.931 . 1 786 219 100 SER N N 115.877 . 1 787 220 101 TYR H H 8.025 . 1 788 220 101 TYR HA H 4.356 . 1 789 220 101 TYR HB2 H 3.064 . 2 790 220 101 TYR HB3 H 3.280 . 2 791 220 101 TYR HD1 H 6.670 . 3 792 220 101 TYR HD2 H 6.670 . 3 793 220 101 TYR HE1 H 6.386 . 3 794 220 101 TYR HE2 H 6.386 . 3 795 220 101 TYR C C 179.043 . 1 796 220 101 TYR CA C 58.651 . 1 797 220 101 TYR CB C 36.592 . 1 798 220 101 TYR CD1 C 131.662 . 3 799 220 101 TYR CD2 C 131.662 . 3 800 220 101 TYR CE1 C 117.357 . 3 801 220 101 TYR CE2 C 117.357 . 3 802 220 101 TYR N N 122.168 . 1 803 221 102 LEU H H 8.435 . 1 804 221 102 LEU HA H 3.957 . 1 805 221 102 LEU HB2 H 1.568 . 2 806 221 102 LEU HB3 H 1.835 . 2 807 221 102 LEU HG H 1.693 . 1 808 221 102 LEU HD1 H 0.924 . 2 809 221 102 LEU HD2 H 0.870 . 2 810 221 102 LEU C C 179.733 . 1 811 221 102 LEU CA C 57.549 . 1 812 221 102 LEU CB C 42.035 . 1 813 221 102 LEU CG C 27.108 . 1 814 221 102 LEU CD1 C 25.060 . 2 815 221 102 LEU CD2 C 24.461 . 2 816 221 102 LEU N N 118.454 . 1 817 222 103 ARG H H 8.924 . 1 818 222 103 ARG HA H 3.723 . 1 819 222 103 ARG HB2 H 1.867 . 2 820 222 103 ARG HB3 H 1.966 . 2 821 222 103 ARG HD2 H 3.160 . 2 822 222 103 ARG HD3 H 3.160 . 2 823 222 103 ARG C C 178.527 . 1 824 222 103 ARG CA C 60.618 . 1 825 222 103 ARG CB C 29.639 . 1 826 222 103 ARG CD C 42.948 . 1 827 222 103 ARG N N 119.778 . 1 828 223 104 ARG H H 7.499 . 1 829 223 104 ARG HA H 3.944 . 1 830 223 104 ARG HB3 H 1.926 . 2 831 223 104 ARG C C 176.635 . 1 832 223 104 ARG CA C 57.818 . 1 833 223 104 ARG CB C 29.929 . 1 834 223 104 ARG CG C 26.649 . 1 835 223 104 ARG CD C 42.991 . 1 836 223 104 ARG N N 115.895 . 1 837 224 105 LYS H H 7.413 . 1 838 224 105 LYS HA H 4.285 . 1 839 224 105 LYS HB3 H 1.580 . 2 840 224 105 LYS C C 177.837 . 1 841 224 105 LYS CA C 58.278 . 1 842 224 105 LYS CB C 34.766 . 1 843 224 105 LYS CE C 41.726 . 1 844 224 105 LYS N N 114.538 . 1 845 225 106 ILE H H 8.436 . 1 846 225 106 ILE HA H 4.702 . 1 847 225 106 ILE HB H 2.110 . 1 848 225 106 ILE HG12 H 1.265 . 2 849 225 106 ILE HG13 H 1.468 . 2 850 225 106 ILE HG2 H 0.783 . 1 851 225 106 ILE HD1 H 0.655 . 1 852 225 106 ILE C C 175.074 . 1 853 225 106 ILE CA C 58.361 . 1 854 225 106 ILE CB C 41.156 . 1 855 225 106 ILE CG1 C 28.441 . 1 856 225 106 ILE CG2 C 20.136 . 1 857 225 106 ILE CD1 C 14.137 . 1 858 225 106 ILE N N 108.418 . 1 859 226 107 ASP H H 8.356 . 1 860 226 107 ASP HA H 5.457 . 1 861 226 107 ASP HB2 H 1.970 . 2 862 226 107 ASP HB3 H 3.094 . 2 863 226 107 ASP C C 175.603 . 1 864 226 107 ASP CA C 51.607 . 1 865 226 107 ASP CB C 41.280 . 1 866 226 107 ASP N N 124.876 . 1 867 227 108 THR H H 7.045 . 1 868 227 108 THR HA H 4.276 . 1 869 227 108 THR HB H 4.469 . 1 870 227 108 THR HG2 H 0.983 . 1 871 227 108 THR C C 175.603 . 1 872 227 108 THR CA C 60.403 . 1 873 227 108 THR CB C 68.990 . 1 874 227 108 THR CG2 C 21.712 . 1 875 227 108 THR N N 106.538 . 1 876 228 109 GLY H H 8.561 . 1 877 228 109 GLY HA2 H 3.791 . 2 878 228 109 GLY HA3 H 4.245 . 2 879 228 109 GLY C C 173.374 . 1 880 228 109 GLY CA C 43.746 . 1 881 228 109 GLY N N 110.569 . 1 882 229 110 GLU H H 8.468 . 1 883 229 110 GLU HA H 3.946 . 1 884 229 110 GLU HB2 H 1.938 . 2 885 229 110 GLU HB3 H 1.938 . 2 886 229 110 GLU HG2 H 2.194 . 2 887 229 110 GLU HG3 H 2.271 . 2 888 229 110 GLU C C 177.151 . 1 889 229 110 GLU CA C 58.180 . 1 890 229 110 GLU CB C 29.735 . 1 891 229 110 GLU CG C 36.092 . 1 892 229 110 GLU N N 118.902 . 1 893 230 111 LYS H H 7.844 . 1 894 230 111 LYS HA H 4.435 . 1 895 230 111 LYS HB2 H 1.521 . 2 896 230 111 LYS HB3 H 1.674 . 2 897 230 111 LYS HG2 H 1.274 . 2 898 230 111 LYS HG3 H 1.358 . 2 899 230 111 LYS HD2 H 1.596 . 2 900 230 111 LYS HD3 H 1.596 . 2 901 230 111 LYS HE2 H 2.873 . 2 902 230 111 LYS HE3 H 2.873 . 2 903 230 111 LYS C C 174.915 . 1 904 230 111 LYS CA C 54.142 . 1 905 230 111 LYS CB C 32.896 . 1 906 230 111 LYS CG C 24.561 . 1 907 230 111 LYS CD C 28.879 . 1 908 230 111 LYS CE C 41.512 . 1 909 230 111 LYS N N 117.229 . 1 910 231 112 ARG H H 8.370 . 1 911 231 112 ARG HA H 4.176 . 1 912 231 112 ARG HB3 H 1.637 . 2 913 231 112 ARG HG3 H 0.981 . 2 914 231 112 ARG HD2 H 2.999 . 2 915 231 112 ARG HD3 H 2.999 . 2 916 231 112 ARG C C 175.607 . 1 917 231 112 ARG CA C 55.581 . 1 918 231 112 ARG CB C 30.368 . 1 919 231 112 ARG CG C 26.410 . 1 920 231 112 ARG CD C 43.002 . 1 921 231 112 ARG N N 126.184 . 1 922 232 113 LEU H H 10.538 . 1 923 232 113 LEU HA H 4.990 . 1 924 232 113 LEU HB2 H 1.437 . 2 925 232 113 LEU HB3 H 1.437 . 2 926 232 113 LEU HG H 1.835 . 1 927 232 113 LEU HD1 H 0.995 . 2 928 232 113 LEU HD2 H 0.840 . 2 929 232 113 LEU C C 175.608 . 1 930 232 113 LEU CA C 54.153 . 1 931 232 113 LEU CB C 44.206 . 1 932 232 113 LEU CG C 26.578 . 1 933 232 113 LEU CD1 C 26.227 . 2 934 232 113 LEU CD2 C 22.535 . 2 935 232 113 LEU N N 124.729 . 1 936 233 114 LEU H H 8.542 . 1 937 233 114 LEU HA H 4.702 . 1 938 233 114 LEU HB2 H 0.780 . 2 939 233 114 LEU HB3 H 1.427 . 2 940 233 114 LEU HG H 0.879 . 1 941 233 114 LEU HD1 H 0.150 . 2 942 233 114 LEU HD2 H -0.014 . 2 943 233 114 LEU C C 175.774 . 1 944 233 114 LEU CA C 53.257 . 1 945 233 114 LEU CB C 42.473 . 1 946 233 114 LEU CG C 27.428 . 1 947 233 114 LEU CD1 C 24.486 . 2 948 233 114 LEU CD2 C 23.104 . 2 949 233 114 LEU N N 123.134 . 1 950 234 115 HIS H H 9.108 . 1 951 234 115 HIS HA H 4.488 . 1 952 234 115 HIS HB3 H 2.856 . 2 953 234 115 HIS HD2 H 6.951 . 1 954 234 115 HIS HE1 H 7.696 . 1 955 234 115 HIS C C 174.575 . 1 956 234 115 HIS CA C 55.489 . 1 957 234 115 HIS CB C 32.537 . 1 958 234 115 HIS CD2 C 119.115 . 1 959 234 115 HIS CE1 C 137.596 . 1 960 234 115 HIS N N 126.073 . 1 961 235 116 THR H H 9.071 . 1 962 235 116 THR HA H 4.321 . 1 963 235 116 THR HB H 4.035 . 1 964 235 116 THR HG2 H 0.983 . 1 965 235 116 THR C C 173.542 . 1 966 235 116 THR CA C 61.818 . 1 967 235 116 THR CB C 69.376 . 1 968 235 116 THR CG2 C 21.761 . 1 969 235 116 THR N N 119.760 . 1 970 236 117 LEU H H 8.683 . 1 971 236 117 LEU HA H 4.586 . 1 972 236 117 LEU HB2 H 1.235 . 2 973 236 117 LEU HB3 H 1.307 . 2 974 236 117 LEU HG H 1.370 . 1 975 236 117 LEU HD1 H 0.698 . 2 976 236 117 LEU HD2 H 0.688 . 2 977 236 117 LEU C C 175.605 . 1 978 236 117 LEU CA C 52.763 . 1 979 236 117 LEU CB C 40.874 . 1 980 236 117 LEU CG C 27.182 . 1 981 236 117 LEU CD1 C 24.000 . 2 982 236 117 LEU CD2 C 25.406 . 2 983 236 117 LEU N N 130.519 . 1 984 238 119 GLY HA2 H 3.671 . 2 985 238 119 GLY HA3 H 4.091 . 2 986 238 119 GLY C C 173.697 . 1 987 238 119 GLY CA C 45.187 . 1 988 239 120 VAL H H 8.135 . 1 989 239 120 VAL HA H 4.097 . 1 990 239 120 VAL HB H 1.645 . 1 991 239 120 VAL HG1 H 0.747 . 2 992 239 120 VAL HG2 H 0.710 . 2 993 239 120 VAL C C 176.123 . 1 994 239 120 VAL CA C 63.658 . 1 995 239 120 VAL CB C 34.318 . 1 996 239 120 VAL CG1 C 20.485 . 2 997 239 120 VAL CG2 C 20.220 . 2 998 239 120 VAL N N 119.250 . 1 999 240 121 GLY H H 8.146 . 1 1000 240 121 GLY HA2 H 3.379 . 2 1001 240 121 GLY HA3 H 4.385 . 2 1002 240 121 GLY C C 170.536 . 1 1003 240 121 GLY CA C 45.712 . 1 1004 240 121 GLY N N 106.711 . 1 1005 241 122 TYR H H 8.854 . 1 1006 241 122 TYR HA H 5.508 . 1 1007 241 122 TYR HB2 H 2.708 . 2 1008 241 122 TYR HB3 H 3.012 . 2 1009 241 122 TYR HD1 H 6.972 . 3 1010 241 122 TYR HD2 H 6.972 . 3 1011 241 122 TYR HE1 H 6.696 . 3 1012 241 122 TYR HE2 H 6.696 . 3 1013 241 122 TYR C C 173.714 . 1 1014 241 122 TYR CA C 56.098 . 1 1015 241 122 TYR CB C 44.334 . 1 1016 241 122 TYR CD1 C 133.214 . 3 1017 241 122 TYR CD2 C 133.214 . 3 1018 241 122 TYR CE1 C 117.903 . 3 1019 241 122 TYR CE2 C 117.903 . 3 1020 241 122 TYR N N 121.653 . 1 1021 242 123 VAL H H 8.935 . 1 1022 242 123 VAL HA H 4.656 . 1 1023 242 123 VAL HB H 1.861 . 1 1024 242 123 VAL HG1 H 0.752 . 2 1025 242 123 VAL HG2 H 0.601 . 2 1026 242 123 VAL C C 170.618 . 1 1027 242 123 VAL CA C 59.453 . 1 1028 242 123 VAL CB C 35.580 . 1 1029 242 123 VAL CG1 C 18.583 . 2 1030 242 123 VAL CG2 C 20.278 . 2 1031 242 123 VAL N N 117.885 . 1 1032 243 124 LEU H H 8.826 . 1 1033 243 124 LEU HA H 5.246 . 1 1034 243 124 LEU HB2 H 0.718 . 2 1035 243 124 LEU HB3 H 1.537 . 2 1036 243 124 LEU HG H 0.722 . 1 1037 243 124 LEU HD1 H 0.396 . 2 1038 243 124 LEU HD2 H 0.193 . 2 1039 243 124 LEU C C 174.922 . 1 1040 243 124 LEU CA C 52.487 . 1 1041 243 124 LEU CB C 43.147 . 1 1042 243 124 LEU CG C 26.250 . 1 1043 243 124 LEU CD1 C 24.171 . 2 1044 243 124 LEU CD2 C 27.140 . 2 1045 243 124 LEU N N 132.041 . 1 1046 244 125 ARG H H 9.559 . 1 1047 244 125 ARG HA H 4.796 . 1 1048 244 125 ARG HB2 H 1.745 . 2 1049 244 125 ARG HB3 H 1.789 . 2 1050 244 125 ARG HG2 H 1.371 . 2 1051 244 125 ARG HG3 H 1.371 . 2 1052 244 125 ARG HD2 H 2.843 . 2 1053 244 125 ARG HD3 H 2.843 . 2 1054 244 125 ARG C C 174.058 . 1 1055 244 125 ARG CA C 55.163 . 1 1056 244 125 ARG CB C 32.533 . 1 1057 244 125 ARG CG C 25.682 . 1 1058 244 125 ARG CD C 43.338 . 1 1059 244 125 ARG N N 123.657 . 1 1060 245 126 GLU H H 9.053 . 1 1061 245 126 GLU HA H 4.515 . 1 1062 245 126 GLU HB2 H 1.830 . 2 1063 245 126 GLU HB3 H 2.037 . 2 1064 245 126 GLU HG2 H 2.064 . 2 1065 245 126 GLU HG3 H 2.229 . 2 1066 245 126 GLU C C 174.741 . 1 1067 245 126 GLU CA C 54.745 . 1 1068 245 126 GLU CB C 29.211 . 1 1069 245 126 GLU CG C 37.050 . 1 1070 245 126 GLU N N 122.096 . 1 1071 246 127 PRO HA H 4.385 . 1 1072 246 127 PRO HB2 H 1.968 . 2 1073 246 127 PRO HB3 H 2.263 . 2 1074 246 127 PRO HG2 H 2.065 . 2 1075 246 127 PRO HG3 H 2.065 . 2 1076 246 127 PRO HD2 H 3.615 . 2 1077 246 127 PRO HD3 H 4.059 . 2 1078 246 127 PRO C C 175.592 . 1 1079 246 127 PRO CA C 62.892 . 1 1080 246 127 PRO CB C 31.660 . 1 1081 246 127 PRO CG C 27.466 . 1 1082 246 127 PRO CD C 50.267 . 1 1083 247 128 ARG H H 7.940 . 1 1084 247 128 ARG HA H 4.050 . 1 1085 247 128 ARG HB2 H 1.610 . 2 1086 247 128 ARG HB3 H 1.738 . 2 1087 247 128 ARG C C 181.105 . 1 1088 247 128 ARG CA C 57.116 . 1 1089 247 128 ARG CB C 31.260 . 1 1090 247 128 ARG CG C 27.208 . 1 1091 247 128 ARG CD C 43.019 . 1 1092 247 128 ARG N N 126.670 . 1 stop_ save_