data_15479 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignment for the transmembrane and cytoplasmic domains of human CD4 ; _BMRB_accession_number 15479 _BMRB_flat_file_name bmr15479.str _Entry_type original _Submission_date 2007-09-19 _Accession_date 2007-09-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'human CD4(372-433) C394S/C397S/C420S/C422S/C430H' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wittlich Marc . . 2 Koenig Bernd W. . 3 Hoffmann Silke . . 4 Willbold Dieter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 443 "13C chemical shifts" 329 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-03 update BMRB 'edit assembly name' 2008-06-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of the transmembrane and cytoplasmic domains of human CD4.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18035040 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wittlich Marc . . 2 Koenig Bernd W. . 3 Hoffmann Silke . . 4 Willbold Dieter . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1768 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2949 _Page_last 2960 _Year 2007 _Details . loop_ _Keyword CD CD4 HIV-1 'membrane protein' NMR VpU stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CD4mut _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD4mut $CD4_coreceptor_polypeptide 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_CD4_coreceptor_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD4_coreceptor_polypeptide _Molecular_mass 7850.4 _Mol_thiol_state 'not present' loop_ _Biological_function 'coreceptor in MHCII/TCR interaction' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GPLVPRGSMALIVLGGVAGL LLFIGLGIFFSVRSRHRRRQ AERMSQIKRLLSEKKTSQSP HRFQKTHSPI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 364 GLY 2 365 PRO 3 366 LEU 4 367 VAL 5 368 PRO 6 369 ARG 7 370 GLY 8 371 SER 9 372 MET 10 373 ALA 11 374 LEU 12 375 ILE 13 376 VAL 14 377 LEU 15 378 GLY 16 379 GLY 17 380 VAL 18 381 ALA 19 382 GLY 20 383 LEU 21 384 LEU 22 385 LEU 23 386 PHE 24 387 ILE 25 388 GLY 26 389 LEU 27 390 GLY 28 391 ILE 29 392 PHE 30 393 PHE 31 394 SER 32 395 VAL 33 396 ARG 34 397 SER 35 398 ARG 36 399 HIS 37 400 ARG 38 401 ARG 39 402 ARG 40 403 GLN 41 404 ALA 42 405 GLU 43 406 ARG 44 407 MET 45 408 SER 46 409 GLN 47 410 ILE 48 411 LYS 49 412 ARG 50 413 LEU 51 414 LEU 52 415 SER 53 416 GLU 54 417 LYS 55 418 LYS 56 419 THR 57 420 SER 58 421 GLN 59 422 SER 60 423 PRO 61 424 HIS 62 425 ARG 63 426 PHE 64 427 GLN 65 428 LYS 66 429 THR 67 430 HIS 68 431 SER 69 432 PRO 70 433 ILE 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 16853 CD4 100.00 70 100.00 100.00 8.37e-40 PDB 2KLU "Nmr Structure Of The Transmembrane And Cytoplasmic Domains Of Human Cd4" 100.00 70 100.00 100.00 8.37e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CD4_coreceptor_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CD4_coreceptor_polypeptide 'recombinant technology' . Escherichia coli 'c43 DE3' pTKK19xb/ub stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD4_coreceptor_polypeptide 0.5-1 mM '[U-100% 13C; U-100% 15N]' DPC 200 mM '[U-100% 2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4a.5 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.2 . pH pressure 1 . atm temperature 318 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-COSY' '3D HCCH-TOCSY' 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 CD4mut _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 1 364 1 GLY HA2 H 3.98 0.02 2 2 364 1 GLY HA3 H 3.98 0.02 2 3 364 1 GLY C C 168.7 0.3 1 4 364 1 GLY CA C 42.8 0.3 1 5 365 2 PRO HA H 4.52 0.02 1 6 365 2 PRO HB2 H 2.32 0.02 2 7 365 2 PRO HB3 H 2.31 0.02 2 8 365 2 PRO HD2 H 3.59 0.02 2 9 365 2 PRO HD3 H 3.59 0.02 2 10 365 2 PRO HG2 H 1.93 0.02 2 11 365 2 PRO HG3 H 1.93 0.02 2 12 365 2 PRO C C 175.9 0.3 1 13 365 2 PRO CA C 62.4 0.3 1 14 365 2 PRO CB C 31.8 0.3 1 15 365 2 PRO CD C 49.0 0.3 1 16 365 2 PRO CG C 26.7 0.3 1 17 366 3 LEU H H 8.61 0.02 1 18 366 3 LEU HA H 4.30 0.02 1 19 366 3 LEU HB2 H 1.71 0.02 2 20 366 3 LEU HB3 H 1.61 0.02 2 21 366 3 LEU HD1 H 0.95 0.02 1 22 366 3 LEU HD2 H 0.91 0.02 1 23 366 3 LEU HG H 1.67 0.02 1 24 366 3 LEU C C 175.8 0.3 1 25 366 3 LEU CA C 55.5 0.3 1 26 366 3 LEU CB C 42.2 0.3 1 27 366 3 LEU CD1 C 24.6 0.3 1 28 366 3 LEU CD2 C 23.9 0.3 1 29 366 3 LEU CG C 26.7 0.3 1 30 366 3 LEU N N 123.1 0.3 1 31 367 4 VAL H H 7.79 0.02 1 32 367 4 VAL HA H 4.39 0.02 1 33 367 4 VAL HB H 2.09 0.02 1 34 367 4 VAL HG1 H 0.96 0.02 1 35 367 4 VAL HG2 H 0.93 0.02 1 36 367 4 VAL C C 174.1 0.3 1 37 367 4 VAL CA C 58.7 0.3 1 38 367 4 VAL CB C 32.3 0.3 1 39 367 4 VAL CG1 C 21.0 0.3 1 40 367 4 VAL CG2 C 20.4 0.3 1 41 367 4 VAL N N 118.6 0.3 1 42 368 5 PRO HA H 4.45 0.02 1 43 368 5 PRO HB2 H 2.29 0.02 2 44 368 5 PRO HB3 H 2.28 0.02 2 45 368 5 PRO HD2 H 3.90 0.02 2 46 368 5 PRO HD3 H 3.60 0.02 2 47 368 5 PRO HG2 H 1.94 0.02 2 48 368 5 PRO HG3 H 1.94 0.02 2 49 368 5 PRO C C 175.7 0.3 1 50 368 5 PRO CA C 62.3 0.3 1 51 368 5 PRO CB C 31.6 0.3 1 52 368 5 PRO CD C 50.3 0.3 1 53 368 5 PRO CG C 26.9 0.3 1 54 369 6 ARG H H 8.29 0.02 1 55 369 6 ARG HA H 4.33 0.02 1 56 369 6 ARG HB2 H 1.92 0.02 2 57 369 6 ARG HB3 H 1.83 0.02 2 58 369 6 ARG HD2 H 3.23 0.02 2 59 369 6 ARG HD3 H 3.23 0.02 2 60 369 6 ARG HG2 H 1.71 0.02 2 61 369 6 ARG HG3 H 1.71 0.02 2 62 369 6 ARG C C 176.6 0.3 1 63 369 6 ARG CA C 55.8 0.3 1 64 369 6 ARG CB C 30.5 0.3 1 65 369 6 ARG CD C 42.9 0.3 1 66 369 6 ARG CG C 26.8 0.3 1 67 369 6 ARG N N 120.5 0.3 1 68 370 7 GLY H H 8.56 0.02 1 69 370 7 GLY HA2 H 4.07 0.02 2 70 370 7 GLY HA3 H 3.95 0.02 2 71 370 7 GLY C C 174.1 0.3 1 72 370 7 GLY CA C 45.2 0.3 1 73 370 7 GLY N N 109.8 0.3 1 74 371 8 SER H H 8.18 0.02 1 75 371 8 SER HA H 4.41 0.02 1 76 371 8 SER HB2 H 3.96 0.02 2 77 371 8 SER HB3 H 3.96 0.02 2 78 371 8 SER C C 175.2 0.3 1 79 371 8 SER CA C 59.2 0.3 1 80 371 8 SER CB C 62.9 0.3 1 81 371 8 SER N N 116.6 0.3 1 82 372 9 MET H H 8.57 0.02 1 83 372 9 MET HA H 4.34 0.02 1 84 372 9 MET HB2 H 2.22 0.02 2 85 372 9 MET HB3 H 2.10 0.02 2 86 372 9 MET HE H 2.08 0.02 1 87 372 9 MET HG2 H 2.65 0.02 2 88 372 9 MET HG3 H 2.62 0.02 2 89 372 9 MET C C 176.8 0.3 1 90 372 9 MET CA C 57.0 0.3 1 91 372 9 MET CB C 31.6 0.3 1 92 372 9 MET CE C 17.0 0.3 1 93 372 9 MET CG C 32.2 0.3 1 94 372 9 MET N N 122.5 0.3 1 95 373 10 ALA H H 8.25 0.02 1 96 373 10 ALA HA H 3.92 0.02 1 97 373 10 ALA HB H 1.44 0.02 1 98 373 10 ALA C C 178.2 0.3 1 99 373 10 ALA CA C 55.1 0.3 1 100 373 10 ALA CB C 18.0 0.3 1 101 373 10 ALA N N 121.1 0.3 1 102 374 11 LEU H H 7.63 0.02 1 103 374 11 LEU HA H 4.04 0.02 1 104 374 11 LEU HB2 H 1.85 0.02 2 105 374 11 LEU HB3 H 1.64 0.02 2 106 374 11 LEU HD1 H 0.98 0.02 1 107 374 11 LEU HD2 H 0.91 0.02 1 108 374 11 LEU HG H 1.79 0.02 1 109 374 11 LEU C C 178.0 0.3 1 110 374 11 LEU CA C 57.4 0.3 1 111 374 11 LEU CB C 41.5 0.3 1 112 374 11 LEU CD1 C 24.0 0.3 1 113 374 11 LEU CD2 C 23.5 0.3 1 114 374 11 LEU CG C 26.7 0.3 1 115 374 11 LEU N N 116.3 0.3 1 116 375 12 ILE H H 7.68 0.02 1 117 375 12 ILE HA H 3.71 0.02 1 118 375 12 ILE HB H 2.08 0.02 1 119 375 12 ILE HD1 H 0.89 0.02 1 120 375 12 ILE HG12 H 1.17 0.02 2 121 375 12 ILE HG13 H 1.16 0.02 2 122 375 12 ILE HG2 H 0.93 0.02 1 123 375 12 ILE C C 177.0 0.3 1 124 375 12 ILE CA C 64.3 0.3 1 125 375 12 ILE CB C 37.2 0.3 1 126 375 12 ILE CD1 C 12.9 0.3 1 127 375 12 ILE CG1 C 29.1 0.3 1 128 375 12 ILE CG2 C 17.2 0.3 1 129 375 12 ILE N N 118.7 0.3 1 130 376 13 VAL H H 8.02 0.02 1 131 376 13 VAL HA H 3.61 0.02 1 132 376 13 VAL HB H 2.15 0.02 1 133 376 13 VAL HG1 H 1.07 0.02 1 134 376 13 VAL HG2 H 1.06 0.02 1 135 376 13 VAL C C 176.8 0.3 1 136 376 13 VAL CA C 66.4 0.3 1 137 376 13 VAL CB C 30.9 0.3 1 138 376 13 VAL CG1 C 22.9 0.3 1 139 376 13 VAL CG2 C 22.8 0.3 1 140 376 13 VAL N N 118.8 0.3 1 141 377 14 LEU H H 8.23 0.02 1 142 377 14 LEU HA H 3.99 0.02 1 143 377 14 LEU HB2 H 1.84 0.02 2 144 377 14 LEU HB3 H 1.64 0.02 2 145 377 14 LEU HD1 H 0.91 0.02 1 146 377 14 LEU HD2 H 0.90 0.02 1 147 377 14 LEU HG H 1.79 0.02 1 148 377 14 LEU C C 178.1 0.3 1 149 377 14 LEU CA C 57.8 0.3 1 150 377 14 LEU CB C 41.2 0.3 1 151 377 14 LEU CD1 C 24.0 0.3 1 152 377 14 LEU CD2 C 23.9 0.3 1 153 377 14 LEU CG C 26.7 0.3 1 154 377 14 LEU N N 119.0 0.3 1 155 378 15 GLY H H 8.58 0.02 1 156 378 15 GLY HA2 H 3.67 0.02 2 157 378 15 GLY HA3 H 3.57 0.02 2 158 378 15 GLY C C 174.5 0.3 1 159 378 15 GLY CA C 46.8 0.3 1 160 378 15 GLY N N 106.2 0.3 1 161 379 16 GLY H H 8.49 0.02 1 162 379 16 GLY HA2 H 3.73 0.02 2 163 379 16 GLY HA3 H 3.57 0.02 2 164 379 16 GLY C C 174.1 0.3 1 165 379 16 GLY CA C 46.9 0.3 1 166 379 16 GLY N N 109.6 0.3 1 167 380 17 VAL H H 8.47 0.02 1 168 380 17 VAL HA H 3.55 0.02 1 169 380 17 VAL HB H 2.21 0.02 1 170 380 17 VAL HG1 H 1.04 0.02 1 171 380 17 VAL HG2 H 0.89 0.02 1 172 380 17 VAL C C 176.8 0.3 1 173 380 17 VAL CA C 66.5 0.3 1 174 380 17 VAL CB C 30.8 0.3 1 175 380 17 VAL CG1 C 22.7 0.3 1 176 380 17 VAL CG2 C 20.8 0.3 1 177 380 17 VAL N N 121.5 0.3 1 178 381 18 ALA H H 8.47 0.02 1 179 381 18 ALA HA H 3.90 0.02 1 180 381 18 ALA HB H 1.41 0.02 1 181 381 18 ALA C C 178.6 0.3 1 182 381 18 ALA CA C 55.1 0.3 1 183 381 18 ALA CB C 17.1 0.3 1 184 381 18 ALA N N 121.5 0.3 1 185 382 19 GLY H H 8.56 0.02 1 186 382 19 GLY HA2 H 3.57 0.02 2 187 382 19 GLY HA3 H 3.48 0.02 2 188 382 19 GLY C C 176.8 0.3 1 189 382 19 GLY CA C 46.7 0.3 1 190 382 19 GLY N N 104.4 0.3 1 191 383 20 LEU H H 8.27 0.02 1 192 383 20 LEU HA H 4.08 0.02 1 193 383 20 LEU HB2 H 1.82 0.02 2 194 383 20 LEU HB3 H 1.75 0.02 2 195 383 20 LEU HD1 H 0.87 0.02 1 196 383 20 LEU HD2 H 0.84 0.02 1 197 383 20 LEU HG H 1.78 0.02 1 198 383 20 LEU C C 178.2 0.3 1 199 383 20 LEU CA C 57.9 0.3 1 200 383 20 LEU CB C 41.4 0.3 1 201 383 20 LEU CD1 C 23.8 0.3 1 202 383 20 LEU CD2 C 23.9 0.3 1 203 383 20 LEU CG C 26.4 0.3 1 204 383 20 LEU N N 122.0 0.3 1 205 384 21 LEU H H 8.34 0.02 1 206 384 21 LEU HA H 3.96 0.02 1 207 384 21 LEU HB2 H 1.96 0.02 2 208 384 21 LEU HB3 H 1.38 0.02 2 209 384 21 LEU HD1 H 0.79 0.02 1 210 384 21 LEU HD2 H 0.76 0.02 1 211 384 21 LEU HG H 1.91 0.02 1 212 384 21 LEU C C 178.4 0.3 1 213 384 21 LEU CA C 57.8 0.3 1 214 384 21 LEU CB C 40.9 0.3 1 215 384 21 LEU CD1 C 24.7 0.3 1 216 384 21 LEU CD2 C 22.3 0.3 1 217 384 21 LEU CG C 26.3 0.3 1 218 384 21 LEU N N 118.5 0.3 1 219 385 22 LEU H H 8.29 0.02 1 220 385 22 LEU HA H 3.97 0.02 1 221 385 22 LEU HB2 H 1.76 0.02 2 222 385 22 LEU HB3 H 1.66 0.02 2 223 385 22 LEU HD1 H 0.80 0.02 1 224 385 22 LEU HD2 H 0.76 0.02 1 225 385 22 LEU HG H 1.67 0.02 1 226 385 22 LEU C C 177.8 0.3 1 227 385 22 LEU CA C 57.8 0.3 1 228 385 22 LEU CB C 41.1 0.3 1 229 385 22 LEU CD1 C 23.8 0.3 1 230 385 22 LEU CD2 C 23.8 0.3 1 231 385 22 LEU CG C 26.9 0.3 1 232 385 22 LEU N N 119.6 0.3 1 233 386 23 PHE H H 8.40 0.02 1 234 386 23 PHE HA H 4.23 0.02 1 235 386 23 PHE HB2 H 3.22 0.02 1 236 386 23 PHE HB3 H 3.22 0.02 1 237 386 23 PHE HD1 H 7.14 0.02 1 238 386 23 PHE HD2 H 7.14 0.02 1 239 386 23 PHE HE1 H 7.06 0.02 3 240 386 23 PHE HE2 H 7.14 0.02 3 241 386 23 PHE HZ H 7.00 0.02 1 242 386 23 PHE C C 177.4 0.3 1 243 386 23 PHE CA C 61.1 0.3 1 244 386 23 PHE CB C 38.3 0.3 1 245 386 23 PHE CD1 C 130.7 0.3 1 246 386 23 PHE CD2 C 130.7 0.3 1 247 386 23 PHE CE1 C 129.8 0.3 1 248 386 23 PHE CE2 C 129.8 0.3 1 249 386 23 PHE CZ C 128.1 0.3 1 250 386 23 PHE N N 119.0 0.3 1 251 387 24 ILE H H 8.63 0.02 1 252 387 24 ILE HA H 3.64 0.02 1 253 387 24 ILE HB H 2.03 0.02 1 254 387 24 ILE HD1 H 0.82 0.02 1 255 387 24 ILE HG12 H 1.07 0.02 2 256 387 24 ILE HG13 H 1.06 0.02 2 257 387 24 ILE HG2 H 0.89 0.02 1 258 387 24 ILE C C 177.8 0.3 1 259 387 24 ILE CA C 65.0 0.3 1 260 387 24 ILE CB C 37.2 0.3 1 261 387 24 ILE CD1 C 12.8 0.3 1 262 387 24 ILE CG1 C 28.9 0.3 1 263 387 24 ILE CG2 C 16.8 0.3 1 264 387 24 ILE N N 119.3 0.3 1 265 388 25 GLY H H 8.90 0.02 1 266 388 25 GLY HA2 H 3.68 0.02 2 267 388 25 GLY HA3 H 3.65 0.02 2 268 388 25 GLY C C 174.8 0.3 1 269 388 25 GLY CA C 47.3 0.3 1 270 388 25 GLY N N 108.1 0.3 1 271 389 26 LEU H H 8.81 0.02 1 272 389 26 LEU HA H 4.13 0.02 1 273 389 26 LEU HB2 H 2.05 0.02 2 274 389 26 LEU HB3 H 1.53 0.02 2 275 389 26 LEU HD1 H 0.85 0.02 1 276 389 26 LEU HD2 H 0.85 0.02 1 277 389 26 LEU HG H 1.88 0.02 1 278 389 26 LEU C C 178.5 0.3 1 279 389 26 LEU CA C 57.6 0.3 1 280 389 26 LEU CB C 41.3 0.3 1 281 389 26 LEU CD1 C 23.3 0.3 1 282 389 26 LEU CD2 C 25.0 0.3 1 283 389 26 LEU CG C 26.5 0.3 1 284 389 26 LEU N N 122.3 0.3 1 285 390 27 GLY H H 8.61 0.02 1 286 390 27 GLY HA2 H 3.82 0.02 2 287 390 27 GLY HA3 H 3.67 0.02 2 288 390 27 GLY C C 175.8 0.3 1 289 390 27 GLY CA C 47.4 0.3 1 290 390 27 GLY N N 108.2 0.3 1 291 391 28 ILE H H 8.78 0.02 1 292 391 28 ILE HA H 3.71 0.02 1 293 391 28 ILE HB H 2.09 0.02 1 294 391 28 ILE HD1 H 0.86 0.02 1 295 391 28 ILE HG12 H 1.05 0.02 2 296 391 28 ILE HG13 H 1.03 0.02 2 297 391 28 ILE HG2 H 0.90 0.02 1 298 391 28 ILE C C 177.1 0.3 1 299 391 28 ILE CA C 65.2 0.3 1 300 391 28 ILE CB C 37.2 0.3 1 301 391 28 ILE CD1 C 13.4 0.3 1 302 391 28 ILE CG1 C 28.6 0.3 1 303 391 28 ILE CG2 C 17.1 0.3 1 304 391 28 ILE N N 123.7 0.3 1 305 392 29 PHE H H 8.69 0.02 1 306 392 29 PHE HA H 4.05 0.02 1 307 392 29 PHE HB2 H 3.20 0.02 2 308 392 29 PHE HB3 H 3.11 0.02 2 309 392 29 PHE HD1 H 6.74 0.02 1 310 392 29 PHE HD2 H 6.74 0.02 1 311 392 29 PHE HE1 H 7.09 0.02 1 312 392 29 PHE HE2 H 7.09 0.02 1 313 392 29 PHE HZ H 7.24 0.02 1 314 392 29 PHE C C 176.6 0.3 1 315 392 29 PHE CA C 61.6 0.3 1 316 392 29 PHE CB C 38.8 0.3 1 317 392 29 PHE CD1 C 130.9 0.3 1 318 392 29 PHE CD2 C 130.9 0.3 1 319 392 29 PHE CE1 C 130.5 0.3 1 320 392 29 PHE CE2 C 130.5 0.3 1 321 392 29 PHE CZ C 129.1 0.3 1 322 392 29 PHE N N 121.2 0.3 1 323 393 30 PHE H H 8.90 0.02 1 324 393 30 PHE HA H 4.15 0.02 1 325 393 30 PHE HB2 H 3.25 0.02 2 326 393 30 PHE HB3 H 3.11 0.02 2 327 393 30 PHE HD1 H 7.37 0.02 3 328 393 30 PHE HD2 H 7.42 0.02 3 329 393 30 PHE HE1 H 7.36 0.02 3 330 393 30 PHE HE2 H 7.41 0.02 3 331 393 30 PHE HZ H 7.27 0.02 1 332 393 30 PHE C C 177.9 0.3 1 333 393 30 PHE CA C 60.9 0.3 1 334 393 30 PHE CB C 38.4 0.3 1 335 393 30 PHE CD1 C 131.5 0.3 1 336 393 30 PHE CD2 C 131.4 0.3 1 337 393 30 PHE CE1 C 130.6 0.3 1 338 393 30 PHE CE2 C 130.6 0.3 1 339 393 30 PHE CZ C 129.1 0.3 1 340 393 30 PHE N N 116.3 0.3 1 341 394 31 SER H H 8.18 0.02 1 342 394 31 SER HA H 4.10 0.02 1 343 394 31 SER HB2 H 3.95 0.02 2 344 394 31 SER HB3 H 3.95 0.02 2 345 394 31 SER C C 175.7 0.3 1 346 394 31 SER CA C 62.8 0.3 1 347 394 31 SER CB C 62.9 0.3 1 348 394 31 SER N N 116.9 0.3 1 349 395 32 VAL H H 8.37 0.02 1 350 395 32 VAL HA H 3.80 0.02 1 351 395 32 VAL HB H 2.15 0.02 1 352 395 32 VAL HG1 H 1.05 0.02 1 353 395 32 VAL HG2 H 0.92 0.02 1 354 395 32 VAL C C 177.3 0.3 1 355 395 32 VAL CA C 64.7 0.3 1 356 395 32 VAL CB C 31.3 0.3 1 357 395 32 VAL CG1 C 21.7 0.3 1 358 395 32 VAL CG2 C 21.2 0.3 1 359 395 32 VAL N N 120.8 0.3 1 360 396 33 ARG H H 7.99 0.02 1 361 396 33 ARG HA H 4.04 0.02 1 362 396 33 ARG HB2 H 1.72 0.02 2 363 396 33 ARG HB3 H 1.72 0.02 2 364 396 33 ARG HD2 H 2.92 0.02 2 365 396 33 ARG HD3 H 2.87 0.02 2 366 396 33 ARG HG2 H 1.44 0.02 2 367 396 33 ARG HG3 H 1.44 0.02 2 368 396 33 ARG C C 177.4 0.3 1 369 396 33 ARG CA C 57.5 0.3 1 370 396 33 ARG CB C 29.6 0.3 1 371 396 33 ARG CD C 42.8 0.3 1 372 396 33 ARG CG C 26.5 0.3 1 373 396 33 ARG N N 120.5 0.3 1 374 397 34 SER H H 7.90 0.02 1 375 397 34 SER HA H 4.29 0.02 1 376 397 34 SER HB2 H 3.96 0.02 2 377 397 34 SER HB3 H 3.91 0.02 2 378 397 34 SER C C 175.5 0.3 1 379 397 34 SER CA C 59.6 0.3 1 380 397 34 SER CB C 62.9 0.3 1 381 397 34 SER N N 114.8 0.3 1 382 398 35 ARG H H 7.94 0.02 1 383 398 35 ARG HA H 4.25 0.02 1 384 398 35 ARG HB2 H 1.88 0.02 1 385 398 35 ARG HB3 H 1.88 0.02 1 386 398 35 ARG HD2 H 3.22 0.02 2 387 398 35 ARG HD3 H 3.22 0.02 2 388 398 35 ARG HG2 H 1.74 0.02 2 389 398 35 ARG HG3 H 1.68 0.02 2 390 398 35 ARG C C 177.3 0.3 1 391 398 35 ARG CA C 57.4 0.3 1 392 398 35 ARG CB C 30.0 0.3 1 393 398 35 ARG CD C 43.0 0.3 1 394 398 35 ARG CG C 27.1 0.3 1 395 398 35 ARG N N 122.2 0.3 1 396 399 36 HIS HA H 4.62 0.02 1 397 399 36 HIS HB2 H 3.35 0.02 2 398 399 36 HIS HB3 H 3.26 0.02 2 399 399 36 HIS HD2 H 7.07 0.02 1 400 399 36 HIS HE1 H 7.94 0.02 1 401 399 36 HIS C C 175.1 0.3 1 402 399 36 HIS CA C 55.7 0.3 1 403 399 36 HIS CB C 28.1 0.3 1 404 399 36 HIS CD2 C 118.9 0.3 1 405 399 36 HIS CE1 C 137.7 0.3 1 406 400 37 ARG H H 8.19 0.02 1 407 400 37 ARG HA H 4.25 0.02 1 408 400 37 ARG HB2 H 1.91 0.02 2 409 400 37 ARG HB3 H 1.90 0.02 2 410 400 37 ARG HD2 H 3.23 0.02 1 411 400 37 ARG HD3 H 3.23 0.02 1 412 400 37 ARG HG2 H 1.73 0.02 2 413 400 37 ARG HG3 H 1.66 0.02 2 414 400 37 ARG C C 176.9 0.3 1 415 400 37 ARG CA C 57.0 0.3 1 416 400 37 ARG CB C 29.9 0.3 1 417 400 37 ARG CD C 43.0 0.3 1 418 400 37 ARG CG C 26.7 0.3 1 419 400 37 ARG N N 120.7 0.3 1 420 401 38 ARG H H 8.00 0.02 1 421 401 38 ARG HA H 4.24 0.02 1 422 401 38 ARG HB2 H 1.88 0.02 2 423 401 38 ARG HB3 H 1.87 0.02 2 424 401 38 ARG HD2 H 3.24 0.02 2 425 401 38 ARG HD3 H 3.22 0.02 2 426 401 38 ARG HG2 H 1.76 0.02 2 427 401 38 ARG HG3 H 1.76 0.02 2 428 401 38 ARG C C 176.9 0.3 1 429 401 38 ARG CA C 56.0 0.3 1 430 401 38 ARG CB C 30.7 0.3 1 431 401 38 ARG CD C 43.0 0.3 1 432 401 38 ARG CG C 27.0 0.3 1 433 401 38 ARG N N 122.1 0.3 1 434 402 39 ARG H H 8.17 0.02 1 435 402 39 ARG HA H 4.27 0.02 1 436 402 39 ARG HB2 H 1.92 0.02 2 437 402 39 ARG HB3 H 1.90 0.02 2 438 402 39 ARG HD2 H 3.24 0.02 2 439 402 39 ARG HD3 H 3.24 0.02 2 440 402 39 ARG HG2 H 1.75 0.02 2 441 402 39 ARG HG3 H 1.69 0.02 2 442 402 39 ARG C C 177.3 0.3 1 443 402 39 ARG CA C 57.1 0.3 1 444 402 39 ARG CB C 29.9 0.3 1 445 402 39 ARG CD C 43.1 0.3 1 446 402 39 ARG CG C 27.0 0.3 1 447 402 39 ARG N N 121.5 0.3 1 448 403 40 GLN H H 8.20 0.02 1 449 403 40 GLN HA H 4.24 0.02 1 450 403 40 GLN HB2 H 2.09 0.02 2 451 403 40 GLN HB3 H 2.09 0.02 2 452 403 40 GLN HE21 H 6.79 0.02 1 453 403 40 GLN HE22 H 7.46 0.02 1 454 403 40 GLN HG2 H 2.38 0.02 1 455 403 40 GLN HG3 H 2.38 0.02 1 456 403 40 GLN C C 176.3 0.3 1 457 403 40 GLN CA C 56.9 0.3 1 458 403 40 GLN CB C 28.6 0.3 1 459 403 40 GLN CG C 33.5 0.3 1 460 403 40 GLN N N 121.7 0.3 1 461 403 40 GLN NE2 N 112.8 0.3 1 462 404 41 ALA H H 8.15 0.02 1 463 404 41 ALA HA H 4.24 0.02 1 464 404 41 ALA HB H 1.48 0.02 1 465 404 41 ALA C C 178.6 0.3 1 466 404 41 ALA CA C 53.3 0.3 1 467 404 41 ALA CB C 18.3 0.3 1 468 404 41 ALA N N 123.9 0.3 1 469 405 42 GLU H H 8.24 0.02 1 470 405 42 GLU HA H 4.23 0.02 1 471 405 42 GLU HB2 H 2.13 0.02 2 472 405 42 GLU HB3 H 2.13 0.02 2 473 405 42 GLU HG2 H 2.39 0.02 2 474 405 42 GLU HG3 H 2.30 0.02 2 475 405 42 GLU C C 177.1 0.3 1 476 405 42 GLU CA C 57.0 0.3 1 477 405 42 GLU CB C 29.3 0.3 1 478 405 42 GLU CG C 35.9 0.3 1 479 405 42 GLU N N 120.6 0.3 1 480 406 43 ARG H H 8.32 0.02 1 481 406 43 ARG HA H 4.22 0.02 1 482 406 43 ARG HB2 H 1.99 0.02 2 483 406 43 ARG HB3 H 1.99 0.02 2 484 406 43 ARG HD2 H 3.22 0.02 2 485 406 43 ARG HD3 H 3.14 0.02 2 486 406 43 ARG HG2 H 1.85 0.02 2 487 406 43 ARG HG3 H 1.81 0.02 2 488 406 43 ARG C C 177.8 0.3 1 489 406 43 ARG CA C 57.8 0.3 1 490 406 43 ARG CB C 29.8 0.3 1 491 406 43 ARG CD C 42.9 0.3 1 492 406 43 ARG CG C 26.8 0.3 1 493 406 43 ARG N N 121.6 0.3 1 494 407 44 MET H H 8.45 0.02 1 495 407 44 MET HA H 4.31 0.02 1 496 407 44 MET HB2 H 2.22 0.02 2 497 407 44 MET HB3 H 2.22 0.02 2 498 407 44 MET HE H 2.07 0.02 1 499 407 44 MET HG2 H 2.69 0.02 2 500 407 44 MET HG3 H 2.69 0.02 2 501 407 44 MET C C 177.6 0.3 1 502 407 44 MET CA C 57.3 0.3 1 503 407 44 MET CB C 31.5 0.3 1 504 407 44 MET CE C 16.7 0.3 1 505 407 44 MET CG C 32.2 0.3 1 506 407 44 MET N N 118.5 0.3 1 507 408 45 SER H H 8.13 0.02 1 508 408 45 SER HA H 4.21 0.02 1 509 408 45 SER HB2 H 4.05 0.02 2 510 408 45 SER HB3 H 4.00 0.02 2 511 408 45 SER C C 174.1 0.3 1 512 408 45 SER CA C 60.8 0.3 1 513 408 45 SER CB C 62.3 0.3 1 514 408 45 SER N N 115.8 0.3 1 515 409 46 GLN H H 8.08 0.02 1 516 409 46 GLN HA H 4.14 0.02 1 517 409 46 GLN HB2 H 2.27 0.02 2 518 409 46 GLN HB3 H 2.18 0.02 2 519 409 46 GLN HE21 H 7.42 0.02 1 520 409 46 GLN HE22 H 6.78 0.02 1 521 409 46 GLN HG2 H 2.52 0.02 2 522 409 46 GLN HG3 H 2.41 0.02 2 523 409 46 GLN C C 177.8 0.3 1 524 409 46 GLN CA C 58.0 0.3 1 525 409 46 GLN CB C 28.1 0.3 1 526 409 46 GLN CG C 33.3 0.3 1 527 409 46 GLN N N 122.1 0.3 1 528 409 46 GLN NE2 N 111.6 0.3 1 529 410 47 ILE H H 7.96 0.02 1 530 410 47 ILE HA H 3.79 0.02 1 531 410 47 ILE HB H 2.04 0.02 1 532 410 47 ILE HD1 H 0.89 0.02 1 533 410 47 ILE HG12 H 1.20 0.02 2 534 410 47 ILE HG13 H 1.20 0.02 2 535 410 47 ILE HG2 H 0.94 0.02 1 536 410 47 ILE C C 177.1 0.3 1 537 410 47 ILE CA C 63.9 0.3 1 538 410 47 ILE CB C 37.1 0.3 1 539 410 47 ILE CD1 C 12.6 0.3 1 540 410 47 ILE CG1 C 28.6 0.3 1 541 410 47 ILE CG2 C 17.2 0.3 1 542 410 47 ILE N N 120.2 0.3 1 543 411 48 LYS H H 8.08 0.02 1 544 411 48 LYS HA H 3.89 0.02 1 545 411 48 LYS HB2 H 1.96 0.02 2 546 411 48 LYS HB3 H 1.90 0.02 2 547 411 48 LYS HD2 H 1.74 0.02 2 548 411 48 LYS HD3 H 1.73 0.02 2 549 411 48 LYS HE2 H 2.93 0.02 2 550 411 48 LYS HE3 H 2.93 0.02 2 551 411 48 LYS HG2 H 1.59 0.02 2 552 411 48 LYS HG3 H 1.40 0.02 2 553 411 48 LYS C C 178.3 0.3 1 554 411 48 LYS CA C 59.5 0.3 1 555 411 48 LYS CB C 31.8 0.3 1 556 411 48 LYS CD C 29.0 0.3 1 557 411 48 LYS CE C 41.4 0.3 1 558 411 48 LYS CG C 25.3 0.3 1 559 411 48 LYS N N 119.9 0.3 1 560 412 49 ARG H H 7.89 0.02 1 561 412 49 ARG HA H 4.12 0.02 1 562 412 49 ARG HB2 H 1.96 0.02 2 563 412 49 ARG HB3 H 1.96 0.02 2 564 412 49 ARG HD2 H 3.24 0.02 2 565 412 49 ARG HD3 H 3.24 0.02 2 566 412 49 ARG HG2 H 1.78 0.02 2 567 412 49 ARG HG3 H 1.66 0.02 2 568 412 49 ARG C C 177.9 0.3 1 569 412 49 ARG CA C 58.4 0.3 1 570 412 49 ARG CB C 29.5 0.3 1 571 412 49 ARG CD C 43.1 0.3 1 572 412 49 ARG CG C 27.0 0.3 1 573 412 49 ARG N N 119.8 0.3 1 574 413 50 LEU H H 7.88 0.02 1 575 413 50 LEU HA H 4.16 0.02 1 576 413 50 LEU HB2 H 1.91 0.02 2 577 413 50 LEU HB3 H 1.67 0.02 2 578 413 50 LEU HD1 H 0.95 0.02 1 579 413 50 LEU HD2 H 0.92 0.02 1 580 413 50 LEU HG H 1.66 0.02 1 581 413 50 LEU C C 178.0 0.3 1 582 413 50 LEU CA C 57.0 0.3 1 583 413 50 LEU CB C 41.7 0.3 1 584 413 50 LEU CD1 C 24.8 0.3 1 585 413 50 LEU CD2 C 23.5 0.3 1 586 413 50 LEU CG C 27.0 0.3 1 587 413 50 LEU N N 120.7 0.3 1 588 414 51 LEU H H 7.81 0.02 1 589 414 51 LEU HA H 4.20 0.02 1 590 414 51 LEU HB2 H 1.80 0.02 2 591 414 51 LEU HB3 H 1.63 0.02 2 592 414 51 LEU HD1 H 0.90 0.02 1 593 414 51 LEU HD2 H 0.87 0.02 1 594 414 51 LEU HG H 1.85 0.02 1 595 414 51 LEU C C 177.3 0.3 1 596 414 51 LEU CA C 56.4 0.3 1 597 414 51 LEU CB C 41.7 0.3 1 598 414 51 LEU CD1 C 25.1 0.3 1 599 414 51 LEU CD2 C 22.7 0.3 1 600 414 51 LEU CG C 26.5 0.3 1 601 414 51 LEU N N 117.1 0.3 1 602 415 52 SER H H 7.86 0.02 1 603 415 52 SER HA H 4.37 0.02 1 604 415 52 SER HB2 H 3.98 0.02 2 605 415 52 SER HB3 H 3.93 0.02 2 606 415 52 SER C C 174.9 0.3 1 607 415 52 SER CA C 59.3 0.3 1 608 415 52 SER CB C 63.5 0.3 1 609 415 52 SER N N 113.9 0.3 1 610 416 53 GLU H H 8.15 0.02 1 611 416 53 GLU HA H 4.27 0.02 1 612 416 53 GLU HB2 H 2.09 0.02 2 613 416 53 GLU HB3 H 2.08 0.02 2 614 416 53 GLU HG2 H 2.39 0.02 2 615 416 53 GLU HG3 H 2.39 0.02 2 616 416 53 GLU C C 176.6 0.3 1 617 416 53 GLU CA C 56.8 0.3 1 618 416 53 GLU CB C 29.7 0.3 1 619 416 53 GLU CG C 33.3 0.3 1 620 416 53 GLU N N 122.6 0.3 1 621 417 54 LYS H H 8.13 0.02 1 622 417 54 LYS HA H 4.32 0.02 1 623 417 54 LYS HB2 H 1.88 0.02 2 624 417 54 LYS HB3 H 1.87 0.02 2 625 417 54 LYS HD2 H 1.71 0.02 2 626 417 54 LYS HD3 H 1.71 0.02 2 627 417 54 LYS HE2 H 3.00 0.02 2 628 417 54 LYS HE3 H 3.00 0.02 2 629 417 54 LYS HG2 H 1.50 0.02 2 630 417 54 LYS HG3 H 1.50 0.02 2 631 417 54 LYS C C 176.3 0.3 1 632 417 54 LYS CA C 55.9 0.3 1 633 417 54 LYS CB C 32.3 0.3 1 634 417 54 LYS CD C 28.5 0.3 1 635 417 54 LYS CE C 41.6 0.3 1 636 417 54 LYS CG C 24.3 0.3 1 637 417 54 LYS N N 121.8 0.3 1 638 418 55 LYS H H 8.19 0.02 1 639 418 55 LYS HA H 4.32 0.02 1 640 418 55 LYS HB2 H 1.88 0.02 1 641 418 55 LYS HB3 H 1.88 0.02 1 642 418 55 LYS HD2 H 1.71 0.02 2 643 418 55 LYS HD3 H 1.71 0.02 2 644 418 55 LYS HE2 H 3.02 0.02 2 645 418 55 LYS HE3 H 2.99 0.02 2 646 418 55 LYS HG2 H 1.48 0.02 2 647 418 55 LYS HG3 H 1.48 0.02 2 648 418 55 LYS C C 176.5 0.3 1 649 418 55 LYS CA C 55.9 0.3 1 650 418 55 LYS CB C 32.1 0.3 1 651 418 55 LYS CD C 28.5 0.3 1 652 418 55 LYS CE C 41.6 0.3 1 653 418 55 LYS CG C 24.2 0.3 1 654 418 55 LYS N N 122.1 0.3 1 655 419 56 THR H H 8.08 0.02 1 656 419 56 THR HA H 4.37 0.02 1 657 419 56 THR HB H 4.28 0.02 1 658 419 56 THR HG1 H 4.82 0.02 1 659 419 56 THR HG2 H 1.23 0.02 1 660 419 56 THR C C 174.3 0.3 1 661 419 56 THR CA C 61.2 0.3 1 662 419 56 THR CB C 69.2 0.3 1 663 419 56 THR CG2 C 21.2 0.3 1 664 419 56 THR N N 115.1 0.3 1 665 420 57 SER H H 8.22 0.02 1 666 420 57 SER HA H 4.47 0.02 1 667 420 57 SER HB2 H 3.92 0.02 2 668 420 57 SER HB3 H 3.89 0.02 2 669 420 57 SER HG H 5.36 0.02 1 670 420 57 SER C C 174.0 0.3 1 671 420 57 SER CA C 58.0 0.3 1 672 420 57 SER CB C 63.4 0.3 1 673 420 57 SER N N 118.4 0.3 1 674 421 58 GLN H H 8.28 0.02 1 675 421 58 GLN HA H 4.32 0.02 1 676 421 58 GLN HB2 H 2.07 0.02 2 677 421 58 GLN HB3 H 2.06 0.02 2 678 421 58 GLN HE21 H 7.44 0.02 1 679 421 58 GLN HE22 H 6.79 0.02 1 680 421 58 GLN HG2 H 2.30 0.02 2 681 421 58 GLN HG3 H 2.30 0.02 2 682 421 58 GLN C C 175.3 0.3 1 683 421 58 GLN CA C 55.3 0.3 1 684 421 58 GLN CB C 29.6 0.3 1 685 421 58 GLN CG C 33.2 0.3 1 686 421 58 GLN N N 122.3 0.3 1 687 421 58 GLN NE2 N 112.6 0.3 1 688 422 59 SER H H 8.22 0.02 1 689 422 59 SER HA H 4.72 0.02 1 690 422 59 SER HB2 H 3.83 0.02 2 691 422 59 SER HB3 H 3.82 0.02 2 692 422 59 SER HG H 5.17 0.02 1 693 422 59 SER C C 173.1 0.3 1 694 422 59 SER CA C 56.0 0.3 1 695 422 59 SER CB C 63.1 0.3 1 696 422 59 SER N N 118.6 0.3 1 697 423 60 PRO HA H 4.42 0.02 1 698 423 60 PRO HB2 H 2.25 0.02 1 699 423 60 PRO HB3 H 2.25 0.02 1 700 423 60 PRO HD2 H 3.79 0.02 1 701 423 60 PRO HD3 H 3.79 0.02 1 702 423 60 PRO HG2 H 1.98 0.02 2 703 423 60 PRO HG3 H 1.98 0.02 2 704 423 60 PRO C C 176.4 0.3 1 705 423 60 PRO CA C 62.9 0.3 1 706 423 60 PRO CB C 31.5 0.3 1 707 423 60 PRO CD C 50.3 0.3 1 708 423 60 PRO CG C 26.7 0.3 1 709 424 61 HIS H H 8.33 0.02 1 710 424 61 HIS HA H 4.67 0.02 1 711 424 61 HIS HB2 H 3.19 0.02 2 712 424 61 HIS HB3 H 3.12 0.02 2 713 424 61 HIS HD2 H 7.03 0.02 1 714 424 61 HIS HE1 H 7.99 0.02 1 715 424 61 HIS C C 175.0 0.3 1 716 424 61 HIS CA C 55.0 0.3 1 717 424 61 HIS CB C 28.3 0.3 1 718 424 61 HIS CD2 C 119.5 0.3 1 719 424 61 HIS CE1 C 137.7 0.3 1 720 424 61 HIS N N 119.0 0.3 1 721 425 62 ARG H H 8.11 0.02 1 722 425 62 ARG HA H 4.22 0.02 1 723 425 62 ARG HB2 H 1.90 0.02 2 724 425 62 ARG HB3 H 1.67 0.02 2 725 425 62 ARG HD2 H 3.23 0.02 2 726 425 62 ARG HD3 H 3.23 0.02 2 727 425 62 ARG HG2 H 1.66 0.02 2 728 425 62 ARG HG3 H 1.66 0.02 2 729 425 62 ARG C C 177.0 0.3 1 730 425 62 ARG CA C 55.8 0.3 1 731 425 62 ARG CB C 30.2 0.3 1 732 425 62 ARG CD C 43.1 0.3 1 733 425 62 ARG CG C 26.9 0.3 1 734 425 62 ARG N N 122.1 0.3 1 735 426 63 PHE H H 8.25 0.02 1 736 426 63 PHE HA H 4.64 0.02 1 737 426 63 PHE HB2 H 3.19 0.02 2 738 426 63 PHE HB3 H 3.02 0.02 2 739 426 63 PHE HD1 H 7.27 0.02 3 740 426 63 PHE HD2 H 7.33 0.02 3 741 426 63 PHE HE1 H 7.27 0.02 3 742 426 63 PHE HE2 H 7.33 0.02 3 743 426 63 PHE HZ H 7.26 0.02 1 744 426 63 PHE C C 174.9 0.3 1 745 426 63 PHE CA C 57.0 0.3 1 746 426 63 PHE CB C 38.8 0.3 1 747 426 63 PHE CD1 C 131.6 0.3 1 748 426 63 PHE CD2 C 131.6 0.3 1 749 426 63 PHE CE1 C 130.9 0.3 1 750 426 63 PHE CE2 C 130.9 0.3 1 751 426 63 PHE CZ C 129.2 0.3 1 752 426 63 PHE N N 120.9 0.3 1 753 427 64 GLN H H 8.13 0.02 1 754 427 64 GLN HA H 4.41 0.02 1 755 427 64 GLN HB2 H 2.14 0.02 2 756 427 64 GLN HB3 H 1.97 0.02 2 757 427 64 GLN HE21 H 6.76 0.02 1 758 427 64 GLN HE22 H 7.44 0.02 1 759 427 64 GLN HG2 H 2.38 0.02 2 760 427 64 GLN HG3 H 2.38 0.02 2 761 427 64 GLN C C 175.1 0.3 1 762 427 64 GLN CA C 55.1 0.3 1 763 427 64 GLN CB C 29.2 0.3 1 764 427 64 GLN CG C 33.4 0.3 1 765 427 64 GLN N N 122.2 0.3 1 766 427 64 GLN NE2 N 112.0 0.3 1 767 428 65 LYS H H 8.28 0.02 1 768 428 65 LYS HA H 4.38 0.02 1 769 428 65 LYS HB2 H 1.91 0.02 2 770 428 65 LYS HB3 H 1.83 0.02 2 771 428 65 LYS HD2 H 1.72 0.02 2 772 428 65 LYS HD3 H 1.72 0.02 2 773 428 65 LYS HE2 H 3.01 0.02 2 774 428 65 LYS HE3 H 3.01 0.02 2 775 428 65 LYS HG2 H 1.48 0.02 2 776 428 65 LYS HG3 H 1.48 0.02 2 777 428 65 LYS C C 176.2 0.3 1 778 428 65 LYS CA C 56.0 0.3 1 779 428 65 LYS CB C 32.5 0.3 1 780 428 65 LYS CD C 28.6 0.3 1 781 428 65 LYS CE C 41.5 0.3 1 782 428 65 LYS CG C 24.3 0.3 1 783 428 65 LYS N N 123.1 0.3 1 784 429 66 THR H H 8.00 0.02 1 785 429 66 THR HA H 4.30 0.02 1 786 429 66 THR HB H 4.17 0.02 1 787 429 66 THR HG1 H 5.19 0.02 1 788 429 66 THR HG2 H 1.17 0.02 1 789 429 66 THR C C 175.9 0.3 1 790 429 66 THR CA C 61.1 0.3 1 791 429 66 THR CB C 69.2 0.3 1 792 429 66 THR CG2 C 21.1 0.3 1 793 429 66 THR N N 115.3 0.3 1 794 430 67 HIS H H 8.41 0.02 1 795 430 67 HIS HA H 4.74 0.02 1 796 430 67 HIS HB2 H 3.28 0.02 2 797 430 67 HIS HB3 H 3.17 0.02 2 798 430 67 HIS HD2 H 7.10 0.02 1 799 430 67 HIS HE1 H 8.08 0.02 1 800 430 67 HIS C C 173.6 0.3 1 801 430 67 HIS CA C 54.7 0.3 1 802 430 67 HIS CB C 28.8 0.3 1 803 430 67 HIS CD2 C 119.8 0.3 1 804 430 67 HIS CE1 C 137.4 0.3 1 805 430 67 HIS N N 121.3 0.3 1 806 431 68 SER H H 8.31 0.02 1 807 431 68 SER HA H 4.75 0.02 1 808 431 68 SER HB2 H 3.80 0.02 2 809 431 68 SER HB3 H 3.80 0.02 2 810 431 68 SER HG H 5.19 0.02 1 811 431 68 SER C C 173.0 0.3 1 812 431 68 SER CA C 55.9 0.3 1 813 431 68 SER CB C 63.1 0.3 1 814 431 68 SER N N 119.1 0.3 1 815 432 69 PRO HA H 4.48 0.02 1 816 432 69 PRO HB2 H 2.25 0.02 2 817 432 69 PRO HB3 H 2.25 0.02 2 818 432 69 PRO HD2 H 3.76 0.02 2 819 432 69 PRO HD3 H 3.59 0.02 2 820 432 69 PRO HG2 H 2.01 0.02 1 821 432 69 PRO HG3 H 2.01 0.02 1 822 432 69 PRO C C 175.2 0.3 1 823 432 69 PRO CA C 62.9 0.3 1 824 432 69 PRO CB C 31.4 0.3 1 825 432 69 PRO CD C 50.2 0.3 1 826 432 69 PRO CG C 26.6 0.3 1 827 433 70 ILE H H 7.49 0.02 1 828 433 70 ILE HA H 4.24 0.02 1 829 433 70 ILE HB H 1.89 0.02 1 830 433 70 ILE HD1 H 0.88 0.02 1 831 433 70 ILE HG12 H 1.18 0.02 2 832 433 70 ILE HG13 H 1.18 0.02 2 833 433 70 ILE HG2 H 0.91 0.02 1 834 433 70 ILE C C 176.0 0.3 1 835 433 70 ILE CA C 62.0 0.3 1 836 433 70 ILE CB C 38.8 0.3 1 837 433 70 ILE CD1 C 13.2 0.3 1 838 433 70 ILE CG1 C 26.8 0.3 1 839 433 70 ILE CG2 C 17.2 0.3 1 840 433 70 ILE N N 124.2 0.3 1 stop_ save_