data_17775 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the chimeric Af1503 HAMP- EnvZ DHp homodimer ; _BMRB_accession_number 17775 _BMRB_flat_file_name bmr17775.str _Entry_type original _Submission_date 2011-07-10 _Accession_date 2011-07-10 _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 Coles Murray . . 2 Ferris Hedda U. . 3 Hulko Michael . . 4 Martin Joerg . . 5 Lupas Andrei N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 610 "13C chemical shifts" 456 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-04 update BMRB 'update entry citation' 2011-08-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17776 'Af1503 HAMP- EnvZ DHp; A219F variant' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mechanism of regulation of receptor histidine kinases.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22244755 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ferris Hedda U. . 2 Dunin-Horkawicz Stanislaw . . 3 Hornig Nora . . 4 Hulko Michael . . 5 Martin Jorg . . 6 Schultz Joachim E. . 7 Zeth Kornelius . . 8 Lupas Andrei N. . 9 Coles Murray . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 20 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 56 _Page_last 66 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'chimeric Af1503 HAMP- EnvZ DHp homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HAMP-DHp, chain 1' $HAMP-DHp 'HAMP-DHp, chain 2' $HAMP-DHp 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_HAMP-DHp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HAMP-DHp _Molecular_mass 12738.506 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MSTITRPIIELSNTADKIAE GNLEAEVPHQNRADEIGILA KSIERLRRSLKQLADDRTLL MAGVSHDLRTPLTRIRLATE MMSEQDGYLAESINKDIEEC NAIIEQFIDYLR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 277 MET 2 278 SER 3 279 THR 4 280 ILE 5 281 THR 6 282 ARG 7 283 PRO 8 284 ILE 9 285 ILE 10 286 GLU 11 287 LEU 12 288 SER 13 289 ASN 14 290 THR 15 291 ALA 16 292 ASP 17 293 LYS 18 294 ILE 19 295 ALA 20 296 GLU 21 297 GLY 22 298 ASN 23 299 LEU 24 300 GLU 25 301 ALA 26 302 GLU 27 303 VAL 28 304 PRO 29 305 HIS 30 306 GLN 31 307 ASN 32 308 ARG 33 309 ALA 34 310 ASP 35 311 GLU 36 312 ILE 37 313 GLY 38 314 ILE 39 315 LEU 40 316 ALA 41 317 LYS 42 318 SER 43 319 ILE 44 320 GLU 45 321 ARG 46 322 LEU 47 323 ARG 48 324 ARG 49 325 SER 50 326 LEU 51 327 LYS 52 328 GLN 53 329 LEU 54 330 ALA 55 331 ASP 56 332 ASP 57 333 ARG 58 334 THR 59 335 LEU 60 336 LEU 61 337 MET 62 338 ALA 63 339 GLY 64 340 VAL 65 341 SER 66 342 HIS 67 343 ASP 68 344 LEU 69 345 ARG 70 346 THR 71 347 PRO 72 348 LEU 73 349 THR 74 350 ARG 75 351 ILE 76 352 ARG 77 353 LEU 78 354 ALA 79 355 THR 80 356 GLU 81 357 MET 82 358 MET 83 359 SER 84 360 GLU 85 361 GLN 86 362 ASP 87 363 GLY 88 364 TYR 89 365 LEU 90 366 ALA 91 367 GLU 92 368 SER 93 369 ILE 94 370 ASN 95 371 LYS 96 372 ASP 97 373 ILE 98 374 GLU 99 375 GLU 100 376 CYS 101 377 ASN 102 378 ALA 103 379 ILE 104 380 ILE 105 381 GLU 106 382 GLN 107 383 PHE 108 384 ILE 109 385 ASP 110 386 TYR 111 387 LEU 112 388 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 17776 HAMP-DHpF 100.00 112 99.11 99.11 1.89e-72 PDB 2LFR "Solution Structure Of The Chimeric Af1503 Hamp- Envz Dhp Homodimer" 99.11 114 100.00 100.00 1.22e-72 PDB 2LFS "Solution Structure Of The Chimeric Af1503 Hamp- Envz Dhp Homodimer; A219f Variant" 99.11 114 99.10 99.10 1.00e-71 PDB 3ZCC "High Resolution Structure Of The Asymmetric R333g Hamp-Dhp Mutant" 99.11 114 99.10 99.10 1.71e-71 PDB 3ZRV "The High Resolution Structure Of A Dimeric Hamp-Dhp Fusion Displays Asymmetry - A291f Mutant" 100.00 116 99.11 99.11 2.01e-72 PDB 3ZRW "The Structure Of The Dimeric Hamp-Dhp Fusion A291v Mutant" 100.00 116 99.11 99.11 1.14e-72 PDB 3ZRX "The High Resolution Structure Of A Dimeric Hamp-Dhp Fusion Displays Strong Asymmetry" 100.00 115 99.11 99.11 2.19e-72 PDB 4CTI "Escherichia Coli Envz Histidine Kinase Catalytic Part Fused To Archaeoglobus Fulgidus Af1503 Hamp Domain" 100.00 273 99.11 99.11 8.18e-71 GB ESL47213 "osmolarity sensor protein envZ, partial [Klebsiella pneumoniae BIDMC 25]" 50.00 218 98.21 98.21 1.40e-29 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HAMP-DHp . . . . . . 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 $HAMP-DHp 'recombinant technology' . Escherichia coli BL21(DE3) pET30b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HAMP-DHp 0.6 mM '[U-100% 15N]' 'phosphate buffer' 12 mM 'natural abundance' 'sodium chloride' 138 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_double_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HAMP-DHp 0.6 mM '[U-100% 13C; U-100% 15N]' 'phosphate buffer' 12 mM 'natural abundance' 'sodium chloride' 138 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.21 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double_labeled save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double_labeled save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double_labeled save_ save_3D_CCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $double_labeled save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_labeled save_ save_3D_NNH_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NNH NOESY' _Sample_label $15N_labeled save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double_labeled save_ save_3D_CNH_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CNH NOESY' _Sample_label $double_labeled save_ save_3D_CCH_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH NOESY' _Sample_label $double_labeled save_ save_2D_12C_filtered/13C_edited_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 12C filtered/13C edited NOESY' _Sample_label $double_labeled save_ save_2D_12C/14N_filtered_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 12C/14N filtered 1H-1H NOESY' _Sample_label $15N_labeled save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N_labeled save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 308 . K pH 7.1 . pH pressure 1 . atm 'ionic strength' 0.150 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 2.60 internal indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 internal indirect . . . 0.10132912 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 '3D HNCO' '3D CBCA(CO)NH' '3D CCH-TOCSY' '2D 12C/14N filtered 1H-1H NOESY' stop_ loop_ _Sample_label $double_labeled $15N_labeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'HAMP-DHp, chain 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 1 280 4 ILE HA H 4.19 0.02 1 2 280 4 ILE HB H 1.91 0.02 1 3 280 4 ILE HG12 H 1.17 0.02 2 4 280 4 ILE HG13 H 1.37 0.02 2 5 280 4 ILE HG2 H 0.83 0.02 1 6 280 4 ILE HD1 H 0.79 0.02 1 7 280 4 ILE CA C 61.65 0.05 1 8 280 4 ILE CB C 38.52 0.05 1 9 280 4 ILE CG1 C 27.19 0.05 1 10 280 4 ILE CG2 C 17.87 0.05 1 11 280 4 ILE CD1 C 13.35 0.05 1 12 281 5 THR HA H 4.34 0.02 1 13 281 5 THR HB H 4.27 0.02 1 14 281 5 THR HG2 H 1.24 0.02 1 15 281 5 THR CA C 62.68 0.05 1 16 281 5 THR CB C 69.63 0.05 1 17 281 5 THR CG2 C 21.92 0.05 1 18 283 7 PRO HA H 4.23 0.02 1 19 283 7 PRO HG2 H 1.63 0.02 2 20 283 7 PRO HG3 H 1.88 0.02 2 21 283 7 PRO HD2 H 3.60 0.02 2 22 283 7 PRO HD3 H 3.53 0.02 2 23 283 7 PRO CA C 65.94 0.05 1 24 283 7 PRO CB C 30.73 0.05 1 25 283 7 PRO CG C 27.91 0.05 1 26 283 7 PRO CD C 49.84 0.05 1 27 284 8 ILE H H 7.30 0.02 1 28 284 8 ILE HA H 3.42 0.02 1 29 284 8 ILE HB H 2.02 0.02 1 30 284 8 ILE HG12 H 0.99 0.02 2 31 284 8 ILE HG13 H 1.57 0.02 2 32 284 8 ILE HG2 H 0.69 0.02 1 33 284 8 ILE HD1 H 0.67 0.02 1 34 284 8 ILE C C 177.82 0.05 1 35 284 8 ILE CA C 65.54 0.05 1 36 284 8 ILE CB C 36.81 0.05 1 37 284 8 ILE CG1 C 29.40 0.05 1 38 284 8 ILE CG2 C 17.76 0.05 1 39 284 8 ILE CD1 C 12.76 0.05 1 40 284 8 ILE N N 115.67 0.05 1 41 285 9 ILE H H 7.88 0.02 1 42 285 9 ILE HA H 3.80 0.02 1 43 285 9 ILE HB H 2.17 0.02 1 44 285 9 ILE HG12 H 1.43 0.02 2 45 285 9 ILE HG13 H 1.56 0.02 2 46 285 9 ILE HG2 H 0.92 0.02 1 47 285 9 ILE HD1 H 0.81 0.02 1 48 285 9 ILE C C 177.69 0.05 1 49 285 9 ILE CA C 62.88 0.05 1 50 285 9 ILE CB C 36.56 0.05 1 51 285 9 ILE CG1 C 27.95 0.05 1 52 285 9 ILE CG2 C 17.13 0.05 1 53 285 9 ILE CD1 C 10.86 0.05 1 54 285 9 ILE N N 121.88 0.05 1 55 286 10 GLU H H 8.45 0.02 1 56 286 10 GLU HA H 4.08 0.02 1 57 286 10 GLU HB2 H 2.02 0.02 2 58 286 10 GLU HB3 H 2.27 0.02 2 59 286 10 GLU C C 180.98 0.05 1 60 286 10 GLU CA C 59.63 0.05 1 61 286 10 GLU CB C 29.55 0.05 1 62 286 10 GLU CG C 37.21 0.05 1 63 286 10 GLU N N 120.58 0.05 1 64 287 11 LEU H H 8.49 0.02 1 65 287 11 LEU HA H 4.01 0.02 1 66 287 11 LEU HB2 H 1.14 0.02 2 67 287 11 LEU HB3 H 2.05 0.02 2 68 287 11 LEU HG H 1.81 0.02 1 69 287 11 LEU HD1 H 0.84 0.02 1 70 287 11 LEU HD2 H 1.01 0.02 1 71 287 11 LEU C C 178.03 0.05 1 72 287 11 LEU CA C 58.31 0.05 1 73 287 11 LEU CB C 42.05 0.05 1 74 287 11 LEU CG C 28.07 0.05 1 75 287 11 LEU CD1 C 25.88 0.05 1 76 287 11 LEU CD2 C 23.45 0.05 1 77 287 11 LEU N N 121.34 0.05 1 78 288 12 SER H H 8.33 0.02 1 79 288 12 SER HA H 4.19 0.02 1 80 288 12 SER HB2 H 3.93 0.02 1 81 288 12 SER HB3 H 3.93 0.02 1 82 288 12 SER C C 175.66 0.05 1 83 288 12 SER CA C 61.67 0.05 1 84 288 12 SER CB C 62.49 0.05 1 85 288 12 SER N N 117.59 0.05 1 86 289 13 ASN H H 8.65 0.02 1 87 289 13 ASN HA H 4.45 0.02 1 88 289 13 ASN HB2 H 2.81 0.02 1 89 289 13 ASN HB3 H 2.97 0.02 1 90 289 13 ASN HD21 H 6.86 0.02 1 91 289 13 ASN HD22 H 7.66 0.02 1 92 289 13 ASN C C 178.48 0.05 1 93 289 13 ASN CA C 55.87 0.05 1 94 289 13 ASN CB C 38.09 0.05 1 95 289 13 ASN N N 119.15 0.05 1 96 289 13 ASN ND2 N 111.61 0.05 1 97 290 14 THR H H 8.04 0.02 1 98 290 14 THR HA H 3.83 0.02 1 99 290 14 THR HB H 4.33 0.02 1 100 290 14 THR HG2 H 1.27 0.02 1 101 290 14 THR C C 175.03 0.05 1 102 290 14 THR CA C 67.79 0.05 1 103 290 14 THR CB C 68.66 0.05 1 104 290 14 THR CG2 C 22.11 0.05 1 105 290 14 THR N N 117.65 0.05 1 106 291 15 ALA H H 8.53 0.02 1 107 291 15 ALA HA H 3.85 0.02 1 108 291 15 ALA HB H 1.43 0.02 1 109 291 15 ALA C C 178.47 0.05 1 110 291 15 ALA CA C 55.43 0.05 1 111 291 15 ALA CB C 17.82 0.05 1 112 291 15 ALA N N 124.47 0.05 1 113 292 16 ASP H H 8.29 0.02 1 114 292 16 ASP HA H 4.36 0.02 1 115 292 16 ASP HB2 H 2.58 0.02 2 116 292 16 ASP HB3 H 2.85 0.02 2 117 292 16 ASP C C 178.42 0.05 1 118 292 16 ASP CA C 57.43 0.05 1 119 292 16 ASP CB C 40.13 0.05 1 120 292 16 ASP N N 117.56 0.05 1 121 293 17 LYS H H 7.69 0.02 1 122 293 17 LYS HA H 4.01 0.02 1 123 293 17 LYS HB2 H 1.85 0.02 2 124 293 17 LYS HB3 H 2.11 0.02 2 125 293 17 LYS HG2 H 1.54 0.02 2 126 293 17 LYS HG3 H 1.66 0.02 2 127 293 17 LYS HD2 H 1.59 0.02 2 128 293 17 LYS HD3 H 1.65 0.02 2 129 293 17 LYS HE2 H 2.89 0.02 1 130 293 17 LYS HE3 H 2.89 0.02 1 131 293 17 LYS C C 180.17 0.05 1 132 293 17 LYS CA C 59.02 0.05 1 133 293 17 LYS CB C 32.27 0.05 1 134 293 17 LYS CG C 25.12 0.05 1 135 293 17 LYS CD C 29.36 0.05 1 136 293 17 LYS CE C 41.98 0.05 1 137 293 17 LYS N N 119.10 0.05 1 138 294 18 ILE H H 8.22 0.02 1 139 294 18 ILE HA H 3.69 0.02 1 140 294 18 ILE HB H 1.86 0.02 1 141 294 18 ILE HG12 H 0.91 0.02 2 142 294 18 ILE HG13 H 1.80 0.02 2 143 294 18 ILE HG2 H 0.73 0.02 1 144 294 18 ILE HD1 H 0.60 0.02 1 145 294 18 ILE C C 178.92 0.05 1 146 294 18 ILE CA C 64.40 0.05 1 147 294 18 ILE CB C 38.32 0.05 1 148 294 18 ILE CG1 C 29.41 0.05 1 149 294 18 ILE CG2 C 18.73 0.05 1 150 294 18 ILE CD1 C 14.44 0.05 1 151 294 18 ILE N N 122.51 0.05 1 152 295 19 ALA H H 8.58 0.02 1 153 295 19 ALA HA H 3.85 0.02 1 154 295 19 ALA HB H 1.43 0.02 1 155 295 19 ALA C C 179.39 0.05 1 156 295 19 ALA CA C 55.37 0.05 1 157 295 19 ALA CB C 17.88 0.05 1 158 295 19 ALA N N 123.27 0.05 1 159 296 20 GLU H H 7.68 0.02 1 160 296 20 GLU HA H 4.16 0.02 1 161 296 20 GLU HB2 H 2.08 0.02 2 162 296 20 GLU HB3 H 2.17 0.02 2 163 296 20 GLU HG2 H 2.30 0.02 2 164 296 20 GLU HG3 H 2.44 0.02 2 165 296 20 GLU C C 176.56 0.05 1 166 296 20 GLU CA C 56.40 0.05 1 167 296 20 GLU CB C 29.83 0.05 1 168 296 20 GLU CG C 36.46 0.05 1 169 296 20 GLU N N 115.53 0.05 1 170 297 21 GLY H H 7.82 0.02 1 171 297 21 GLY HA2 H 4.51 0.02 1 172 297 21 GLY HA3 H 3.57 0.02 1 173 297 21 GLY C C 174.16 0.05 1 174 297 21 GLY CA C 45.04 0.05 1 175 297 21 GLY N N 105.91 0.05 1 176 298 22 ASN H H 8.07 0.02 1 177 298 22 ASN HA H 4.96 0.02 1 178 298 22 ASN HB2 H 2.57 0.02 2 179 298 22 ASN HB3 H 2.75 0.02 2 180 298 22 ASN HD21 H 7.40 0.02 2 181 298 22 ASN HD22 H 6.92 0.02 2 182 298 22 ASN C C 174.56 0.05 1 183 298 22 ASN CA C 51.80 0.05 1 184 298 22 ASN CB C 36.75 0.05 1 185 298 22 ASN N N 120.26 0.05 1 186 298 22 ASN ND2 N 110.81 0.05 1 187 299 23 LEU H H 7.85 0.02 1 188 299 23 LEU HA H 3.95 0.02 1 189 299 23 LEU HB2 H 1.41 0.02 1 190 299 23 LEU HB3 H 1.78 0.02 1 191 299 23 LEU HG H 1.65 0.02 1 192 299 23 LEU HD1 H 0.78 0.02 2 193 299 23 LEU HD2 H 0.86 0.02 2 194 299 23 LEU C C 176.39 0.05 1 195 299 23 LEU CA C 56.25 0.05 1 196 299 23 LEU CB C 41.26 0.05 1 197 299 23 LEU CG C 26.86 0.05 1 198 299 23 LEU CD1 C 23.48 0.05 2 199 299 23 LEU CD2 C 25.92 0.05 2 200 299 23 LEU N N 119.75 0.05 1 201 300 24 GLU H H 7.84 0.02 1 202 300 24 GLU HA H 4.23 0.02 1 203 300 24 GLU HB2 H 1.79 0.02 2 204 300 24 GLU HB3 H 2.22 0.02 2 205 300 24 GLU HG2 H 2.09 0.02 2 206 300 24 GLU HG3 H 2.21 0.02 2 207 300 24 GLU C C 176.05 0.05 1 208 300 24 GLU CA C 55.64 0.05 1 209 300 24 GLU CB C 29.41 0.05 1 210 300 24 GLU CG C 35.78 0.05 1 211 300 24 GLU N N 114.21 0.05 1 212 301 25 ALA H H 6.77 0.02 1 213 301 25 ALA HA H 3.88 0.02 1 214 301 25 ALA HB H 1.18 0.02 1 215 301 25 ALA C C 175.39 0.05 1 216 301 25 ALA CA C 52.89 0.05 1 217 301 25 ALA CB C 18.57 0.05 1 218 301 25 ALA N N 124.01 0.05 1 219 302 26 GLU H H 7.88 0.02 1 220 302 26 GLU HA H 4.08 0.02 1 221 302 26 GLU HB2 H 1.74 0.02 2 222 302 26 GLU HB3 H 1.76 0.02 2 223 302 26 GLU HG2 H 1.90 0.02 2 224 302 26 GLU HG3 H 2.08 0.02 2 225 302 26 GLU C C 176.51 0.05 1 226 302 26 GLU CA C 55.15 0.05 1 227 302 26 GLU CB C 30.16 0.05 1 228 302 26 GLU CG C 36.19 0.05 1 229 302 26 GLU N N 120.12 0.05 1 230 303 27 VAL H H 8.89 0.02 1 231 303 27 VAL HA H 4.23 0.02 1 232 303 27 VAL HB H 2.09 0.02 1 233 303 27 VAL HG1 H 1.11 0.02 1 234 303 27 VAL HG2 H 0.89 0.02 1 235 303 27 VAL CA C 60.44 0.05 1 236 303 27 VAL CB C 31.76 0.05 1 237 303 27 VAL CG1 C 21.00 0.05 1 238 303 27 VAL CG2 C 22.52 0.05 1 239 303 27 VAL N N 129.02 0.05 1 240 304 28 PRO HA H 4.40 0.02 1 241 304 28 PRO HB2 H 1.90 0.02 2 242 304 28 PRO HB3 H 0.95 0.02 2 243 304 28 PRO HD2 H 3.98 0.02 2 244 304 28 PRO HD3 H 3.65 0.02 2 245 304 28 PRO CA C 62.79 0.05 1 246 304 28 PRO CB C 32.12 0.05 1 247 304 28 PRO CG C 25.7 0.05 1 248 304 28 PRO CD C 51.29 0.05 1 249 305 29 HIS H H 7.78 0.02 1 250 305 29 HIS HA H 4.21 0.02 1 251 305 29 HIS HB2 H 3.00 0.02 2 252 305 29 HIS HB3 H 3.31 0.02 2 253 305 29 HIS HD1 H 7.81 0.02 1 254 305 29 HIS HD2 H 6.49 0.02 1 255 305 29 HIS HE1 H 7.84 0.02 1 256 305 29 HIS C C 175.59 0.05 1 257 305 29 HIS CA C 57.95 0.05 1 258 305 29 HIS CB C 27.91 0.05 1 259 305 29 HIS N N 103.64 0.05 1 260 305 29 HIS ND1 N 138.12 0.05 1 261 306 30 GLN H H 8.01 0.02 1 262 306 30 GLN HA H 3.99 0.02 1 263 306 30 GLN HB2 H 1.83 0.02 2 264 306 30 GLN HB3 H 2.18 0.02 2 265 306 30 GLN HG2 H 1.58 0.02 2 266 306 30 GLN HG3 H 2.19 0.02 2 267 306 30 GLN HE21 H 8.05 0.02 2 268 306 30 GLN HE22 H 6.37 0.02 2 269 306 30 GLN C C 176.29 0.05 1 270 306 30 GLN CA C 58.68 0.05 1 271 306 30 GLN CB C 30.63 0.05 1 272 306 30 GLN CG C 35.59 0.05 1 273 306 30 GLN N N 114.84 0.05 1 274 306 30 GLN NE2 N 113.26 0.05 1 275 307 31 ASN H H 8.36 0.02 1 276 307 31 ASN HA H 4.64 0.02 1 277 307 31 ASN HB2 H 2.77 0.02 1 278 307 31 ASN HB3 H 2.77 0.02 1 279 307 31 ASN HD21 H 7.48 0.02 2 280 307 31 ASN HD22 H 6.83 0.02 2 281 307 31 ASN C C 175.61 0.05 1 282 307 31 ASN CA C 52.80 0.05 1 283 307 31 ASN CB C 37.63 0.05 1 284 307 31 ASN N N 113.23 0.05 1 285 307 31 ASN ND2 N 113.05 0.05 1 286 308 32 ARG H H 7.16 0.02 1 287 308 32 ARG HA H 4.14 0.02 1 288 308 32 ARG HB2 H 1.56 0.02 2 289 308 32 ARG HB3 H 2.00 0.02 2 290 308 32 ARG HG2 H 1.58 0.02 2 291 308 32 ARG HG3 H 1.62 0.02 2 292 308 32 ARG HD2 H 2.80 0.02 2 293 308 32 ARG HD3 H 3.49 0.02 2 294 308 32 ARG HE H 8.41 0.02 1 295 308 32 ARG CA C 56.95 0.05 1 296 308 32 ARG CB C 33.03 0.05 1 297 308 32 ARG CG C 28.29 0.05 1 298 308 32 ARG CD C 43.88 0.05 1 299 308 32 ARG N N 119.58 0.05 1 300 308 32 ARG NE N 84.39 0.05 1 301 309 33 ALA HA H 4.53 0.02 1 302 309 33 ALA HB H 1.38 0.02 1 303 309 33 ALA C C 176.61 0.05 1 304 309 33 ALA CA C 51.65 0.05 1 305 309 33 ALA CB C 18.83 0.05 1 306 310 34 ASP H H 7.46 0.02 1 307 310 34 ASP HA H 4.66 0.02 1 308 310 34 ASP HB2 H 2.82 0.02 1 309 310 34 ASP HB3 H 3.12 0.02 1 310 310 34 ASP C C 176.74 0.05 1 311 310 34 ASP CA C 52.24 0.05 1 312 310 34 ASP CB C 41.58 0.05 1 313 310 34 ASP N N 117.68 0.05 1 314 311 35 GLU H H 9.91 0.02 1 315 311 35 GLU HA H 3.87 0.02 1 316 311 35 GLU HB2 H 1.90 0.02 1 317 311 35 GLU HB3 H 1.90 0.02 1 318 311 35 GLU HG2 H 2.38 0.02 1 319 311 35 GLU HG3 H 2.38 0.02 1 320 311 35 GLU C C 177.44 0.05 1 321 311 35 GLU CA C 60.46 0.05 1 322 311 35 GLU CB C 27.66 0.05 1 323 311 35 GLU CG C 36.88 0.05 1 324 311 35 GLU N N 118.11 0.05 1 325 312 36 ILE H H 7.42 0.02 1 326 312 36 ILE HA H 3.57 0.02 1 327 312 36 ILE HB H 2.01 0.02 1 328 312 36 ILE HG12 H 1.20 0.02 2 329 312 36 ILE HG13 H 1.40 0.02 2 330 312 36 ILE HG2 H 0.63 0.02 1 331 312 36 ILE HD1 H 0.68 0.02 1 332 312 36 ILE C C 177.46 0.05 1 333 312 36 ILE CA C 63.17 0.05 1 334 312 36 ILE CB C 35.77 0.05 1 335 312 36 ILE CG1 C 28.52 0.05 1 336 312 36 ILE CG2 C 18.06 0.05 1 337 312 36 ILE CD1 C 10.97 0.05 1 338 312 36 ILE N N 118.79 0.05 1 339 313 37 GLY H H 7.51 0.02 1 340 313 37 GLY HA2 H 4.01 0.02 2 341 313 37 GLY HA3 H 4.42 0.02 2 342 313 37 GLY C C 176.20 0.05 1 343 313 37 GLY CA C 47.09 0.05 1 344 313 37 GLY N N 108.32 0.05 1 345 314 38 ILE H H 7.39 0.02 1 346 314 38 ILE HA H 3.63 0.02 1 347 314 38 ILE HB H 1.94 0.02 1 348 314 38 ILE HG12 H 1.11 0.02 2 349 314 38 ILE HG13 H 1.61 0.02 2 350 314 38 ILE HG2 H 0.94 0.02 1 351 314 38 ILE HD1 H 0.80 0.02 1 352 314 38 ILE C C 179.07 0.05 1 353 314 38 ILE CA C 64.75 0.05 1 354 314 38 ILE CB C 37.61 0.05 1 355 314 38 ILE CG1 C 28.55 0.05 1 356 314 38 ILE CG2 C 16.86 0.05 1 357 314 38 ILE CD1 C 12.71 0.05 1 358 314 38 ILE N N 121.89 0.05 1 359 315 39 LEU H H 7.77 0.02 1 360 315 39 LEU HA H 4.12 0.02 1 361 315 39 LEU HB2 H 1.52 0.02 2 362 315 39 LEU HB3 H 1.96 0.02 2 363 315 39 LEU HG H 1.51 0.02 1 364 315 39 LEU HD1 H 0.88 0.02 1 365 315 39 LEU HD2 H 0.92 0.02 1 366 315 39 LEU C C 178.56 0.05 1 367 315 39 LEU CA C 57.62 0.05 1 368 315 39 LEU CB C 41.49 0.05 1 369 315 39 LEU CG C 27.33 0.05 1 370 315 39 LEU CD1 C 22.04 0.05 1 371 315 39 LEU CD2 C 27.87 0.05 1 372 315 39 LEU N N 121.37 0.05 1 373 316 40 ALA H H 9.02 0.02 1 374 316 40 ALA HA H 3.84 0.02 1 375 316 40 ALA HB H 1.57 0.02 1 376 316 40 ALA C C 179.70 0.05 1 377 316 40 ALA CA C 56.18 0.05 1 378 316 40 ALA CB C 19.87 0.05 1 379 316 40 ALA N N 123.48 0.05 1 380 317 41 LYS H H 8.32 0.02 1 381 317 41 LYS HA H 3.90 0.02 1 382 317 41 LYS HG2 H 1.57 0.02 2 383 317 41 LYS HG3 H 1.94 0.02 2 384 317 41 LYS HD2 H 1.76 0.02 1 385 317 41 LYS HD3 H 1.76 0.02 1 386 317 41 LYS HE2 H 3.00 0.02 2 387 317 41 LYS HE3 H 3.03 0.02 2 388 317 41 LYS C C 179.73 0.05 1 389 317 41 LYS CA C 60.43 0.05 1 390 317 41 LYS CG C 26.44 0.05 1 391 317 41 LYS CD C 29.79 0.05 1 392 317 41 LYS CE C 42.02 0.05 1 393 317 41 LYS N N 116.89 0.05 1 394 318 42 SER H H 8.06 0.02 1 395 318 42 SER HA H 4.34 0.02 1 396 318 42 SER HB2 H 3.99 0.02 2 397 318 42 SER HB3 H 4.11 0.02 2 398 318 42 SER C C 177.43 0.05 1 399 318 42 SER CA C 62.63 0.05 1 400 318 42 SER CB C 63.05 0.05 1 401 318 42 SER N N 119.13 0.05 1 402 319 43 ILE H H 8.25 0.02 1 403 319 43 ILE HA H 3.64 0.02 1 404 319 43 ILE HB H 2.02 0.02 1 405 319 43 ILE HG12 H 0.97 0.02 2 406 319 43 ILE HG13 H 1.71 0.02 2 407 319 43 ILE HG2 H 0.80 0.02 1 408 319 43 ILE HD1 H 0.73 0.02 1 409 319 43 ILE C C 177.19 0.05 1 410 319 43 ILE CA C 65.02 0.05 1 411 319 43 ILE CB C 36.79 0.05 1 412 319 43 ILE CG1 C 29.45 0.05 1 413 319 43 ILE CG2 C 16.86 0.05 1 414 319 43 ILE CD1 C 13.02 0.05 1 415 319 43 ILE N N 124.02 0.05 1 416 320 44 GLU H H 8.39 0.02 1 417 320 44 GLU HA H 4.60 0.02 1 418 320 44 GLU HB2 H 1.89 0.02 1 419 320 44 GLU HB3 H 1.89 0.02 1 420 320 44 GLU HG2 H 2.04 0.02 2 421 320 44 GLU HG3 H 2.60 0.02 2 422 320 44 GLU C C 178.19 0.05 1 423 320 44 GLU CA C 58.43 0.05 1 424 320 44 GLU CB C 27.70 0.05 1 425 320 44 GLU CG C 33.71 0.05 1 426 320 44 GLU N N 123.09 0.05 1 427 321 45 ARG H H 8.00 0.02 1 428 321 45 ARG HA H 3.93 0.02 1 429 321 45 ARG HB2 H 1.95 0.02 1 430 321 45 ARG HB3 H 1.95 0.02 1 431 321 45 ARG HG2 H 1.50 0.02 2 432 321 45 ARG HG3 H 1.93 0.02 2 433 321 45 ARG HD2 H 3.17 0.02 1 434 321 45 ARG HD3 H 3.17 0.02 1 435 321 45 ARG C C 179.95 0.05 1 436 321 45 ARG CA C 60.44 0.05 1 437 321 45 ARG CB C 29.77 0.05 1 438 321 45 ARG CG C 28.45 0.05 1 439 321 45 ARG CD C 43.55 0.05 1 440 321 45 ARG N N 119.76 0.05 1 441 322 46 LEU H H 7.87 0.02 1 442 322 46 LEU HA H 4.02 0.02 1 443 322 46 LEU HB2 H 1.51 0.02 2 444 322 46 LEU HB3 H 2.09 0.02 2 445 322 46 LEU HG H 1.82 0.02 1 446 322 46 LEU HD1 H 1.16 0.02 1 447 322 46 LEU HD2 H 0.85 0.02 1 448 322 46 LEU C C 178.04 0.05 1 449 322 46 LEU CA C 58.55 0.05 1 450 322 46 LEU CB C 41.65 0.05 1 451 322 46 LEU CG C 26.96 0.05 1 452 322 46 LEU CD1 C 27.07 0.05 1 453 322 46 LEU CD2 C 24.49 0.05 1 454 322 46 LEU N N 121.36 0.05 1 455 323 47 ARG H H 8.73 0.02 1 456 323 47 ARG HA H 3.69 0.02 1 457 323 47 ARG HB2 H 1.75 0.02 2 458 323 47 ARG HB3 H 2.20 0.02 2 459 323 47 ARG HG2 H 1.40 0.02 2 460 323 47 ARG HG3 H 1.46 0.02 2 461 323 47 ARG HD2 H 2.73 0.02 2 462 323 47 ARG HD3 H 3.41 0.02 2 463 323 47 ARG HE H 8.77 0.02 1 464 323 47 ARG C C 178.12 0.05 1 465 323 47 ARG CA C 60.63 0.05 1 466 323 47 ARG CB C 30.23 0.05 1 467 323 47 ARG CG C 27.59 0.05 1 468 323 47 ARG CD C 43.38 0.05 1 469 323 47 ARG N N 121.39 0.05 1 470 323 47 ARG NE N 83.19 0.05 1 471 324 48 ARG H H 8.55 0.02 1 472 324 48 ARG HA H 3.84 0.02 1 473 324 48 ARG HB2 H 1.89 0.02 1 474 324 48 ARG HB3 H 1.89 0.02 1 475 324 48 ARG HG2 H 1.55 0.02 2 476 324 48 ARG HG3 H 1.89 0.02 2 477 324 48 ARG HD2 H 3.03 0.02 2 478 324 48 ARG HD3 H 3.13 0.02 2 479 324 48 ARG C C 179.06 0.05 1 480 324 48 ARG CA C 59.93 0.05 1 481 324 48 ARG CB C 29.83 0.05 1 482 324 48 ARG CG C 28.04 0.05 1 483 324 48 ARG CD C 43.42 0.05 1 484 324 48 ARG N N 116.72 0.05 1 485 325 49 SER H H 8.17 0.02 1 486 325 49 SER HA H 4.12 0.02 1 487 325 49 SER HB2 H 4.00 0.02 1 488 325 49 SER HB3 H 4.00 0.02 1 489 325 49 SER C C 176.05 0.05 1 490 325 49 SER CA C 62.63 0.05 1 491 325 49 SER CB C 62.95 0.05 1 492 325 49 SER N N 117.60 0.05 1 493 326 50 LEU H H 8.19 0.02 1 494 326 50 LEU HA H 3.99 0.02 1 495 326 50 LEU HB2 H 1.61 0.02 2 496 326 50 LEU HB3 H 1.78 0.02 2 497 326 50 LEU HG H 1.60 0.02 1 498 326 50 LEU HD1 H 0.83 0.02 2 499 326 50 LEU C C 177.38 0.05 1 500 326 50 LEU CA C 58.58 0.05 1 501 326 50 LEU CB C 42.19 0.05 1 502 326 50 LEU CG C 27.88 0.05 1 503 326 50 LEU CD1 C 25.47 0.05 2 504 326 50 LEU N N 123.73 0.05 1 505 327 51 LYS H H 8.58 0.02 1 506 327 51 LYS HA H 3.86 0.02 1 507 327 51 LYS HB2 H 1.92 0.02 2 508 327 51 LYS HB3 H 1.98 0.02 2 509 327 51 LYS HG2 H 1.54 0.02 1 510 327 51 LYS HG3 H 1.54 0.02 1 511 327 51 LYS HD2 H 1.69 0.02 1 512 327 51 LYS HD3 H 1.69 0.02 1 513 327 51 LYS HE2 H 2.97 0.02 1 514 327 51 LYS HE3 H 2.97 0.02 1 515 327 51 LYS C C 179.05 0.05 1 516 327 51 LYS CA C 59.70 0.05 1 517 327 51 LYS CB C 32.02 0.05 1 518 327 51 LYS CG C 25.45 0.05 1 519 327 51 LYS CD C 28.43 0.05 1 520 327 51 LYS CE C 41.72 0.05 1 521 327 51 LYS N N 119.17 0.05 1 522 328 52 GLN H H 8.08 0.02 1 523 328 52 GLN HA H 4.08 0.02 1 524 328 52 GLN HB2 H 2.19 0.02 2 525 328 52 GLN HB3 H 2.25 0.02 2 526 328 52 GLN HG2 H 2.44 0.02 1 527 328 52 GLN HG3 H 2.44 0.02 1 528 328 52 GLN HE21 H 7.75 0.02 2 529 328 52 GLN HE22 H 6.81 0.02 2 530 328 52 GLN C C 177.96 0.05 1 531 328 52 GLN CA C 58.69 0.05 1 532 328 52 GLN CB C 28.45 0.05 1 533 328 52 GLN CG C 33.72 0.05 1 534 328 52 GLN N N 118.18 0.05 1 535 328 52 GLN NE2 N 114.6 0.05 1 536 329 53 LEU H H 7.68 0.02 1 537 329 53 LEU HA H 4.15 0.02 1 538 329 53 LEU HB2 H 1.80 0.02 2 539 329 53 LEU HB3 H 1.92 0.02 2 540 329 53 LEU HD1 H 0.88 0.02 1 541 329 53 LEU HD2 H 0.95 0.02 1 542 329 53 LEU C C 179.58 0.05 1 543 329 53 LEU CA C 58.08 0.05 1 544 329 53 LEU CB C 42.62 0.05 1 545 329 53 LEU CG C 25.56 0.05 1 546 329 53 LEU CD1 C 23.58 0.05 1 547 329 53 LEU CD2 C 26.00 0.05 1 548 329 53 LEU N N 118.74 0.05 1 549 330 54 ALA H H 8.39 0.02 1 550 330 54 ALA HA H 4.05 0.02 1 551 330 54 ALA HB H 1.48 0.02 1 552 330 54 ALA C C 180.53 0.05 1 553 330 54 ALA CA C 55.63 0.05 1 554 330 54 ALA CB C 18.32 0.05 1 555 330 54 ALA N N 123.33 0.05 1 556 331 55 ASP H H 8.82 0.02 1 557 331 55 ASP HA H 4.42 0.02 1 558 331 55 ASP HB2 H 2.63 0.02 1 559 331 55 ASP HB3 H 2.85 0.02 1 560 331 55 ASP C C 179.10 0.05 1 561 331 55 ASP CA C 57.43 0.05 1 562 331 55 ASP CB C 39.63 0.05 1 563 331 55 ASP N N 121.35 0.05 1 564 332 56 ASP H H 8.42 0.02 1 565 332 56 ASP HA H 4.49 0.02 1 566 332 56 ASP HB2 H 2.91 0.02 1 567 332 56 ASP HB3 H 2.65 0.02 1 568 332 56 ASP C C 179.08 0.05 1 569 332 56 ASP CA C 57.38 0.05 1 570 332 56 ASP CB C 40.44 0.05 1 571 332 56 ASP N N 121.57 0.05 1 572 333 57 ARG H H 7.90 0.02 1 573 333 57 ARG HA H 3.94 0.02 1 574 333 57 ARG HB2 H 2.05 0.02 2 575 333 57 ARG HB3 H 2.12 0.02 2 576 333 57 ARG HG2 H 1.84 0.02 1 577 333 57 ARG HG3 H 1.84 0.02 1 578 333 57 ARG HD2 H 3.19 0.02 1 579 333 57 ARG HD3 H 3.19 0.02 1 580 333 57 ARG C C 177.77 0.05 1 581 333 57 ARG CA C 58.79 0.05 1 582 333 57 ARG CB C 30.30 0.05 1 583 333 57 ARG CG C 29.50 0.05 1 584 333 57 ARG CD C 43.6 0.05 1 585 333 57 ARG N N 120.25 0.05 1 586 334 58 THR H H 7.94 0.02 1 587 334 58 THR HA H 3.96 0.02 1 588 334 58 THR HB H 4.32 0.02 1 589 334 58 THR HG2 H 1.28 0.02 1 590 334 58 THR C C 176.69 0.05 1 591 334 58 THR CA C 66.43 0.05 1 592 334 58 THR CB C 68.72 0.05 1 593 334 58 THR CG2 C 22.20 0.05 1 594 334 58 THR N N 115.16 0.05 1 595 335 59 LEU H H 7.86 0.02 1 596 335 59 LEU HA H 4.07 0.02 1 597 335 59 LEU HB2 H 1.62 0.02 2 598 335 59 LEU HB3 H 1.79 0.02 2 599 335 59 LEU HD1 H 0.84 0.02 2 600 335 59 LEU HD2 H 0.82 0.02 2 601 335 59 LEU C C 180.04 0.05 1 602 335 59 LEU CA C 57.69 0.05 1 603 335 59 LEU CB C 41.81 0.05 1 604 335 59 LEU CG C 27.00 0.05 1 605 335 59 LEU CD1 C 23.84 0.05 2 606 335 59 LEU CD2 C 25.54 0.05 2 607 335 59 LEU N N 123.04 0.05 1 608 336 60 LEU H H 8.18 0.02 1 609 336 60 LEU HA H 4.02 0.02 1 610 336 60 LEU HB2 H 1.64 0.02 2 611 336 60 LEU HB3 H 1.78 0.02 2 612 336 60 LEU HD1 H 0.80 0.02 2 613 336 60 LEU HD2 H 0.92 0.02 2 614 336 60 LEU C C 179.36 0.05 1 615 336 60 LEU CA C 57.90 0.05 1 616 336 60 LEU CB C 41.97 0.05 1 617 336 60 LEU CG C 27.17 0.05 1 618 336 60 LEU CD1 C 24.59 0.05 2 619 336 60 LEU CD2 C 25.24 0.05 2 620 336 60 LEU N N 121.60 0.05 1 621 337 61 MET H H 8.16 0.02 1 622 337 61 MET HA H 4.11 0.02 1 623 337 61 MET HB2 H 2.05 0.02 2 624 337 61 MET HB3 H 2.11 0.02 2 625 337 61 MET HG2 H 2.50 0.02 2 626 337 61 MET HG3 H 2.61 0.02 2 627 337 61 MET HE H 1.89 0.02 1 628 337 61 MET C C 179.75 0.05 1 629 337 61 MET CA C 57.85 0.05 1 630 337 61 MET CB C 32.20 0.05 1 631 337 61 MET CG C 32.47 0.05 1 632 337 61 MET CE C 17.40 0.05 1 633 337 61 MET N N 116.90 0.05 1 634 338 62 ALA H H 8.09 0.02 1 635 338 62 ALA HA H 4.11 0.02 1 636 338 62 ALA HB H 1.52 0.02 1 637 338 62 ALA C C 180.42 0.05 1 638 338 62 ALA CA C 55.27 0.05 1 639 338 62 ALA CB C 17.96 0.05 1 640 338 62 ALA N N 122.99 0.05 1 641 339 63 GLY H H 8.07 0.02 1 642 339 63 GLY HA2 H 3.87 0.02 2 643 339 63 GLY HA3 H 4.00 0.02 2 644 339 63 GLY C C 175.24 0.05 1 645 339 63 GLY CA C 47.19 0.05 1 646 339 63 GLY N N 106.98 0.05 1 647 340 64 VAL H H 8.10 0.02 1 648 340 64 VAL HA H 3.78 0.02 1 649 340 64 VAL HB H 1.86 0.02 1 650 340 64 VAL HG1 H 0.73 0.02 1 651 340 64 VAL HG2 H 0.70 0.02 1 652 340 64 VAL C C 176.96 0.05 1 653 340 64 VAL CA C 65.62 0.05 1 654 340 64 VAL CB C 31.69 0.05 1 655 340 64 VAL CG1 C 22.52 0.05 1 656 340 64 VAL CG2 C 21.40 0.05 1 657 340 64 VAL N N 120.66 0.05 1 658 341 65 SER H H 7.81 0.02 1 659 341 65 SER HA H 4.00 0.02 1 660 341 65 SER HB2 H 3.82 0.02 2 661 341 65 SER HB3 H 3.90 0.02 2 662 341 65 SER C C 175.86 0.05 1 663 341 65 SER CA C 61.24 0.05 1 664 341 65 SER CB C 63.26 0.05 1 665 341 65 SER N N 112.15 0.05 1 666 342 66 HIS H H 7.83 0.02 1 667 342 66 HIS HA H 4.44 0.02 1 668 342 66 HIS HB2 H 3.31 0.02 1 669 342 66 HIS HB3 H 3.26 0.02 1 670 342 66 HIS HD2 H 7.18 0.02 1 671 342 66 HIS HE1 H 8.05 0.02 1 672 342 66 HIS C C 177.78 0.05 1 673 342 66 HIS CA C 59.16 0.05 1 674 342 66 HIS CB C 30.40 0.05 1 675 342 66 HIS CE1 C 137.98 0.05 1 676 342 66 HIS N N 118.91 0.05 1 677 343 67 ASP H H 8.58 0.02 1 678 343 67 ASP HA H 4.44 0.02 1 679 343 67 ASP HB2 H 2.66 0.02 1 680 343 67 ASP HB3 H 2.95 0.02 1 681 343 67 ASP C C 178.47 0.05 1 682 343 67 ASP CA C 57.50 0.05 1 683 343 67 ASP CB C 39.88 0.05 1 684 343 67 ASP N N 120.59 0.05 1 685 344 68 LEU H H 8.30 0.02 1 686 344 68 LEU HA H 4.19 0.02 1 687 344 68 LEU HB2 H 1.64 0.02 2 688 344 68 LEU HB3 H 1.82 0.02 2 689 344 68 LEU HD1 H 0.82 0.02 1 690 344 68 LEU HD2 H 0.79 0.02 1 691 344 68 LEU C C 177.01 0.05 1 692 344 68 LEU CA C 56.81 0.05 1 693 344 68 LEU CB C 43.30 0.05 1 694 344 68 LEU CG C 27.44 0.05 1 695 344 68 LEU CD1 C 25.56 0.05 1 696 344 68 LEU CD2 C 23.51 0.05 1 697 344 68 LEU N N 117.90 0.05 1 698 345 69 ARG H H 7.28 0.02 1 699 345 69 ARG HA H 3.93 0.02 1 700 345 69 ARG HB2 H 1.86 0.02 1 701 345 69 ARG HB3 H 1.86 0.02 1 702 345 69 ARG HG2 H 1.61 0.02 1 703 345 69 ARG HG3 H 1.61 0.02 1 704 345 69 ARG HD2 H 3.10 0.02 1 705 345 69 ARG HD3 H 3.10 0.02 1 706 345 69 ARG C C 178.84 0.05 1 707 345 69 ARG CA C 59.42 0.05 1 708 345 69 ARG CB C 30.21 0.05 1 709 345 69 ARG CG C 28.72 0.05 1 710 345 69 ARG CD C 43.31 0.05 1 711 345 69 ARG N N 114.38 0.05 1 712 346 70 THR H H 7.54 0.02 1 713 346 70 THR HA H 4.06 0.02 1 714 346 70 THR HB H 4.37 0.02 1 715 346 70 THR HG2 H 1.21 0.02 1 716 346 70 THR CA C 68.80 0.05 1 717 346 70 THR CB C 66.59 0.05 1 718 346 70 THR CG2 C 22.88 0.05 1 719 346 70 THR N N 115.37 0.05 1 720 347 71 PRO HA H 4.09 0.02 1 721 347 71 PRO HB2 H 2.31 0.02 2 722 347 71 PRO HB3 H 1.89 0.02 2 723 347 71 PRO HG2 H 1.86 0.02 2 724 347 71 PRO HG3 H 2.27 0.02 2 725 347 71 PRO HD2 H 4.14 0.02 1 726 347 71 PRO HD3 H 3.39 0.02 1 727 347 71 PRO CA C 65.86 0.05 1 728 347 71 PRO CB C 31.38 0.05 1 729 347 71 PRO CG C 28.55 0.05 1 730 347 71 PRO CD C 49.94 0.05 1 731 348 72 LEU H H 6.97 0.02 1 732 348 72 LEU HA H 3.95 0.02 1 733 348 72 LEU HG H 1.93 0.02 1 734 348 72 LEU HD1 H 0.77 0.02 1 735 348 72 LEU HD2 H 0.84 0.02 1 736 348 72 LEU C C 179.12 0.05 1 737 348 72 LEU CA C 58.45 0.05 1 738 348 72 LEU CB C 41.32 0.05 1 739 348 72 LEU CG C 26.45 0.05 1 740 348 72 LEU CD1 C 26.55 0.05 1 741 348 72 LEU CD2 C 23.31 0.05 1 742 348 72 LEU N N 114.83 0.05 1 743 349 73 THR H H 8.09 0.02 1 744 349 73 THR HA H 3.88 0.02 1 745 349 73 THR HB H 4.39 0.02 1 746 349 73 THR HG2 H 1.19 0.02 1 747 349 73 THR C C 176.10 0.05 1 748 349 73 THR CA C 66.76 0.05 1 749 349 73 THR CB C 68.77 0.05 1 750 349 73 THR CG2 C 22.23 0.05 1 751 349 73 THR N N 116.23 0.05 1 752 350 74 ARG H H 7.57 0.02 1 753 350 74 ARG HA H 3.97 0.02 1 754 350 74 ARG HB2 H 1.88 0.02 2 755 350 74 ARG HB3 H 1.22 0.02 2 756 350 74 ARG C C 180.13 0.05 1 757 350 74 ARG CA C 61.03 0.05 1 758 350 74 ARG CB C 31.08 0.05 1 759 350 74 ARG CG C 29.61 0.05 1 760 350 74 ARG N N 121.19 0.05 1 761 351 75 ILE H H 8.06 0.02 1 762 351 75 ILE HA H 3.70 0.02 1 763 351 75 ILE HB H 1.90 0.02 1 764 351 75 ILE HG12 H 1.04 0.02 2 765 351 75 ILE HG13 H 1.47 0.02 2 766 351 75 ILE HG2 H 0.80 0.02 1 767 351 75 ILE HD1 H 0.72 0.02 1 768 351 75 ILE C C 177.07 0.05 1 769 351 75 ILE CA C 65.56 0.05 1 770 351 75 ILE CB C 37.65 0.05 1 771 351 75 ILE CG1 C 29.29 0.05 1 772 351 75 ILE CG2 C 18.15 0.05 1 773 351 75 ILE CD1 C 13.55 0.05 1 774 351 75 ILE N N 122.15 0.05 1 775 352 76 ARG H H 7.70 0.02 1 776 352 76 ARG HA H 3.93 0.02 1 777 352 76 ARG HB2 H 1.87 0.02 2 778 352 76 ARG HB3 H 2.14 0.02 2 779 352 76 ARG HG2 H 1.73 0.02 1 780 352 76 ARG HG3 H 1.73 0.02 1 781 352 76 ARG C C 179.58 0.05 1 782 352 76 ARG CA C 59.34 0.05 1 783 352 76 ARG CB C 29.69 0.05 1 784 352 76 ARG CG C 26.99 0.05 1 785 352 76 ARG N N 120.12 0.05 1 786 353 77 LEU H H 8.26 0.02 1 787 353 77 LEU HA H 4.00 0.02 1 788 353 77 LEU HB2 H 1.80 0.02 1 789 353 77 LEU HB3 H 1.80 0.02 1 790 353 77 LEU HD1 H 0.85 0.02 2 791 353 77 LEU HD2 H 0.83 0.02 2 792 353 77 LEU C C 179.60 0.05 1 793 353 77 LEU CA C 57.91 0.05 1 794 353 77 LEU CB C 41.43 0.05 1 795 353 77 LEU CG C 27.01 0.05 1 796 353 77 LEU CD1 C 25.13 0.05 2 797 353 77 LEU CD2 C 23.07 0.05 2 798 353 77 LEU N N 119.97 0.05 1 799 354 78 ALA H H 7.85 0.02 1 800 354 78 ALA HA H 4.07 0.02 1 801 354 78 ALA HB H 1.47 0.02 1 802 354 78 ALA C C 180.62 0.05 1 803 354 78 ALA CA C 55.27 0.05 1 804 354 78 ALA CB C 18.03 0.05 1 805 354 78 ALA N N 122.39 0.05 1 806 355 79 THR H H 7.93 0.02 1 807 355 79 THR HA H 3.99 0.02 1 808 355 79 THR HB H 4.21 0.02 1 809 355 79 THR HG1 H 6.09 0.02 1 810 355 79 THR HG2 H 1.36 0.02 1 811 355 79 THR C C 177.25 0.05 1 812 355 79 THR CA C 64.97 0.05 1 813 355 79 THR CB C 69.02 0.05 1 814 355 79 THR CG2 C 22.17 0.05 1 815 355 79 THR N N 107.54 0.05 1 816 356 80 GLU H H 7.38 0.02 1 817 356 80 GLU HA H 4.09 0.02 1 818 356 80 GLU HB2 H 2.18 0.02 1 819 356 80 GLU HB3 H 2.18 0.02 1 820 356 80 GLU HG2 H 2.28 0.02 2 821 356 80 GLU HG3 H 2.49 0.02 2 822 356 80 GLU C C 177.28 0.05 1 823 356 80 GLU CA C 58.02 0.05 1 824 356 80 GLU CB C 29.49 0.05 1 825 356 80 GLU CG C 36.36 0.05 1 826 356 80 GLU N N 120.38 0.05 1 827 357 81 MET H H 7.48 0.02 1 828 357 81 MET HA H 4.48 0.02 1 829 357 81 MET HB2 H 1.56 0.02 2 830 357 81 MET HB3 H 2.04 0.02 2 831 357 81 MET HG2 H 2.61 0.02 2 832 357 81 MET HG3 H 2.73 0.02 2 833 357 81 MET HE H 2.12 0.02 1 834 357 81 MET C C 176.14 0.05 1 835 357 81 MET CA C 54.81 0.05 1 836 357 81 MET CB C 32.66 0.05 1 837 357 81 MET CG C 33.58 0.05 1 838 357 81 MET CE C 17.05 0.05 1 839 357 81 MET N N 115.51 0.05 1 840 358 82 MET H H 7.01 0.02 1 841 358 82 MET HA H 4.02 0.02 1 842 358 82 MET HB2 H 2.12 0.02 1 843 358 82 MET HB3 H 2.12 0.02 1 844 358 82 MET HG2 H 2.48 0.02 2 845 358 82 MET HG3 H 2.68 0.02 2 846 358 82 MET HE H 1.96 0.02 1 847 358 82 MET C C 175.67 0.05 1 848 358 82 MET CA C 57.43 0.05 1 849 358 82 MET CB C 33.86 0.05 1 850 358 82 MET CG C 33.18 0.05 1 851 358 82 MET CE C 17.37 0.05 1 852 358 82 MET N N 119.53 0.05 1 853 359 83 SER H H 9.63 0.02 1 854 359 83 SER HA H 4.30 0.02 1 855 359 83 SER HB2 H 4.00 0.02 2 856 359 83 SER HB3 H 4.10 0.02 2 857 359 83 SER C C 176.16 0.05 1 858 359 83 SER CA C 59.17 0.05 1 859 359 83 SER CB C 64.54 0.05 1 860 359 83 SER N N 119.11 0.05 1 861 360 84 GLU H H 8.81 0.02 1 862 360 84 GLU CA C 58.88 0.05 1 863 360 84 GLU CB C 29.56 0.05 1 864 360 84 GLU CG C 38.39 0.05 1 865 360 84 GLU N N 124.09 0.05 1 866 361 85 GLN HA H 4.22 0.02 1 867 361 85 GLN HB2 H 2.11 0.02 1 868 361 85 GLN HB3 H 2.11 0.02 1 869 361 85 GLN HG2 H 2.39 0.02 1 870 361 85 GLN HG3 H 2.39 0.02 1 871 361 85 GLN HE21 H 7.61 0.02 2 872 361 85 GLN HE22 H 6.87 0.02 2 873 361 85 GLN C C 176.37 0.05 1 874 361 85 GLN CA C 58.44 0.05 1 875 361 85 GLN CB C 28.29 0.05 1 876 361 85 GLN CG C 33.58 0.05 1 877 361 85 GLN NE2 N 112.42 0.05 1 878 362 86 ASP H H 7.64 0.02 1 879 362 86 ASP HA H 5.07 0.02 1 880 362 86 ASP HB2 H 3.09 0.02 1 881 362 86 ASP HB3 H 2.61 0.02 1 882 362 86 ASP C C 176.74 0.05 1 883 362 86 ASP CA C 53.71 0.05 1 884 362 86 ASP CB C 40.98 0.05 1 885 362 86 ASP N N 118.70 0.05 1 886 363 87 GLY H H 7.94 0.02 1 887 363 87 GLY HA2 H 4.06 0.02 1 888 363 87 GLY HA3 H 3.95 0.02 1 889 363 87 GLY CA C 47.89 0.05 1 890 363 87 GLY N N 110.41 0.05 1 891 364 88 TYR H H 8.47 0.02 1 892 364 88 TYR HA H 4.43 0.02 1 893 364 88 TYR HB2 H 3.09 0.02 1 894 364 88 TYR HB3 H 3.09 0.02 1 895 364 88 TYR HD1 H 7.15 0.02 1 896 364 88 TYR HD2 H 7.15 0.02 1 897 364 88 TYR HE1 H 6.92 0.02 1 898 364 88 TYR HE2 H 6.92 0.02 1 899 364 88 TYR C C 177.60 0.05 1 900 364 88 TYR CA C 59.97 0.05 1 901 364 88 TYR CB C 37.10 0.05 1 902 364 88 TYR CE1 C 118.6 0.05 1 903 364 88 TYR CE2 C 118.6 0.05 1 904 365 89 LEU H H 7.08 0.02 1 905 365 89 LEU HA H 3.92 0.02 1 906 365 89 LEU HB2 H 1.14 0.02 2 907 365 89 LEU HB3 H 1.59 0.02 2 908 365 89 LEU HG H 1.60 0.02 1 909 365 89 LEU HD1 H 0.77 0.02 1 910 365 89 LEU HD2 H 0.74 0.02 1 911 365 89 LEU C C 178.18 0.05 1 912 365 89 LEU CA C 57.05 0.05 1 913 365 89 LEU CB C 41.93 0.05 1 914 365 89 LEU CG C 26.29 0.05 1 915 365 89 LEU CD1 C 25.30 0.05 1 916 365 89 LEU CD2 C 23.52 0.05 1 917 365 89 LEU N N 124.00 0.05 1 918 366 90 ALA H H 7.88 0.02 1 919 366 90 ALA HA H 3.79 0.02 1 920 366 90 ALA HB H 1.56 0.02 1 921 366 90 ALA C C 179.61 0.05 1 922 366 90 ALA CA C 55.91 0.05 1 923 366 90 ALA CB C 18.45 0.05 1 924 366 90 ALA N N 123.15 0.05 1 925 367 91 GLU H H 8.10 0.02 1 926 367 91 GLU HA H 4.01 0.02 1 927 367 91 GLU HB2 H 2.14 0.02 2 928 367 91 GLU HB3 H 2.27 0.02 2 929 367 91 GLU HG2 H 2.25 0.02 1 930 367 91 GLU HG3 H 2.25 0.02 1 931 367 91 GLU C C 177.91 0.05 1 932 367 91 GLU CA C 59.42 0.05 1 933 367 91 GLU CB C 29.62 0.05 1 934 367 91 GLU CG C 36.41 0.05 1 935 367 91 GLU N N 116.75 0.05 1 936 368 92 SER H H 7.52 0.02 1 937 368 92 SER HA H 4.06 0.02 1 938 368 92 SER HB2 H 4.02 0.02 1 939 368 92 SER HB3 H 4.02 0.02 1 940 368 92 SER C C 176.36 0.05 1 941 368 92 SER CA C 61.61 0.05 1 942 368 92 SER CB C 63.08 0.05 1 943 368 92 SER N N 115.48 0.05 1 944 369 93 ILE H H 8.40 0.02 1 945 369 93 ILE HA H 4.00 0.02 1 946 369 93 ILE HB H 1.76 0.02 1 947 369 93 ILE HG2 H 0.68 0.02 1 948 369 93 ILE HD1 H 0.60 0.02 1 949 369 93 ILE C C 178.00 0.05 1 950 369 93 ILE CA C 65.47 0.05 1 951 369 93 ILE CB C 38.03 0.05 1 952 369 93 ILE CG1 C 29.45 0.05 1 953 369 93 ILE CG2 C 17.78 0.05 1 954 369 93 ILE CD1 C 13.12 0.05 1 955 369 93 ILE N N 121.71 0.05 1 956 370 94 ASN H H 8.27 0.02 1 957 370 94 ASN HA H 4.29 0.02 1 958 370 94 ASN HB2 H 2.66 0.02 2 959 370 94 ASN HB3 H 2.85 0.02 2 960 370 94 ASN HD21 H 7.21 0.02 2 961 370 94 ASN HD22 H 6.93 0.02 2 962 370 94 ASN C C 179.73 0.05 1 963 370 94 ASN CA C 57.34 0.05 1 964 370 94 ASN CB C 38.28 0.05 1 965 370 94 ASN N N 117.81 0.05 1 966 370 94 ASN ND2 N 111.00 0.05 1 967 371 95 LYS H H 7.96 0.02 1 968 371 95 LYS HA H 4.09 0.02 1 969 371 95 LYS HB2 H 1.99 0.02 1 970 371 95 LYS HB3 H 1.99 0.02 1 971 371 95 LYS HG2 H 1.51 0.02 2 972 371 95 LYS HG3 H 1.64 0.02 2 973 371 95 LYS HD2 H 1.68 0.02 1 974 371 95 LYS HD3 H 1.68 0.02 1 975 371 95 LYS HE2 H 2.98 0.02 1 976 371 95 LYS HE3 H 2.98 0.02 1 977 371 95 LYS C C 179.25 0.05 1 978 371 95 LYS CA C 59.65 0.05 1 979 371 95 LYS CB C 31.73 0.05 1 980 371 95 LYS CG C 25.07 0.05 1 981 371 95 LYS CD C 28.87 0.05 1 982 371 95 LYS CE C 42.19 0.05 1 983 371 95 LYS N N 121.22 0.05 1 984 372 96 ASP H H 7.92 0.02 1 985 372 96 ASP HA H 4.06 0.02 1 986 372 96 ASP HB2 H 2.75 0.02 1 987 372 96 ASP HB3 H 2.32 0.02 1 988 372 96 ASP C C 179.30 0.05 1 989 372 96 ASP CA C 58.40 0.05 1 990 372 96 ASP CB C 41.13 0.05 1 991 372 96 ASP N N 122.87 0.05 1 992 373 97 ILE H H 8.72 0.02 1 993 373 97 ILE HA H 3.62 0.02 1 994 373 97 ILE HB H 2.17 0.02 1 995 373 97 ILE HG12 H 1.22 0.02 2 996 373 97 ILE HG13 H 1.62 0.02 2 997 373 97 ILE HG2 H 0.83 0.02 1 998 373 97 ILE HD1 H 0.74 0.02 1 999 373 97 ILE C C 178.33 0.05 1 1000 373 97 ILE CA C 65.08 0.05 1 1001 373 97 ILE CB C 37.26 0.05 1 1002 373 97 ILE CG1 C 27.78 0.05 1 1003 373 97 ILE CG2 C 17.63 0.05 1 1004 373 97 ILE CD1 C 12.72 0.05 1 1005 373 97 ILE N N 123.09 0.05 1 1006 374 98 GLU H H 8.10 0.02 1 1007 374 98 GLU HA H 4.12 0.02 1 1008 374 98 GLU HB2 H 2.21 0.02 1 1009 374 98 GLU HB3 H 2.21 0.02 1 1010 374 98 GLU HG2 H 2.13 0.02 1 1011 374 98 GLU HG3 H 2.13 0.02 1 1012 374 98 GLU C C 179.74 0.05 1 1013 374 98 GLU CA C 59.57 0.05 1 1014 374 98 GLU CB C 28.91 0.05 1 1015 374 98 GLU CG C 36.43 0.05 1 1016 374 98 GLU N N 120.55 0.05 1 1017 375 99 GLU H H 8.06 0.02 1 1018 375 99 GLU HA H 4.14 0.02 1 1019 375 99 GLU HB2 H 2.04 0.02 2 1020 375 99 GLU HB3 H 2.32 0.02 2 1021 375 99 GLU HG2 H 2.20 0.02 2 1022 375 99 GLU HG3 H 2.27 0.02 2 1023 375 99 GLU C C 178.81 0.05 1 1024 375 99 GLU CA C 59.83 0.05 1 1025 375 99 GLU CB C 29.22 0.05 1 1026 375 99 GLU CG C 36.17 0.05 1 1027 375 99 GLU N N 122.04 0.05 1 1028 376 100 CYS H H 8.13 0.02 1 1029 376 100 CYS HA H 3.96 0.02 1 1030 376 100 CYS HB2 H 2.44 0.02 1 1031 376 100 CYS HB3 H 3.35 0.02 1 1032 376 100 CYS C C 176.54 0.05 1 1033 376 100 CYS CA C 64.51 0.05 1 1034 376 100 CYS CB C 27.27 0.05 1 1035 376 100 CYS N N 117.33 0.05 1 1036 377 101 ASN H H 8.43 0.02 1 1037 377 101 ASN HA H 4.29 0.02 1 1038 377 101 ASN HB2 H 2.78 0.02 1 1039 377 101 ASN HB3 H 2.78 0.02 1 1040 377 101 ASN HD21 H 6.45 0.02 1 1041 377 101 ASN HD22 H 7.23 0.02 1 1042 377 101 ASN C C 176.98 0.05 1 1043 377 101 ASN CA C 56.46 0.05 1 1044 377 101 ASN CB C 38.44 0.05 1 1045 377 101 ASN N N 117.14 0.05 1 1046 377 101 ASN ND2 N 110.39 0.05 1 1047 378 102 ALA H H 8.13 0.02 1 1048 378 102 ALA HA H 4.13 0.02 1 1049 378 102 ALA HB H 1.56 0.02 1 1050 378 102 ALA C C 180.51 0.05 1 1051 378 102 ALA CA C 55.12 0.05 1 1052 378 102 ALA CB C 17.96 0.05 1 1053 378 102 ALA N N 123.35 0.05 1 1054 379 103 ILE H H 8.01 0.02 1 1055 379 103 ILE HA H 3.68 0.02 1 1056 379 103 ILE HB H 1.97 0.02 1 1057 379 103 ILE HG12 H 1.18 0.02 2 1058 379 103 ILE HG13 H 1.81 0.02 2 1059 379 103 ILE HG2 H 0.83 0.02 1 1060 379 103 ILE HD1 H 0.80 0.02 1 1061 379 103 ILE C C 178.26 0.05 1 1062 379 103 ILE CA C 64.86 0.05 1 1063 379 103 ILE CB C 38.08 0.05 1 1064 379 103 ILE CG1 C 28.77 0.05 1 1065 379 103 ILE CG2 C 18.21 0.05 1 1066 379 103 ILE CD1 C 14.35 0.05 1 1067 379 103 ILE N N 120.88 0.05 1 1068 380 104 ILE H H 8.06 0.02 1 1069 380 104 ILE HA H 3.43 0.02 1 1070 380 104 ILE HB H 1.89 0.02 1 1071 380 104 ILE HG12 H 0.90 0.02 2 1072 380 104 ILE HG13 H 1.86 0.02 2 1073 380 104 ILE HG2 H 0.85 0.02 1 1074 380 104 ILE HD1 H 0.76 0.02 1 1075 380 104 ILE C C 177.66 0.05 1 1076 380 104 ILE CA C 65.49 0.05 1 1077 380 104 ILE CB C 38.06 0.05 1 1078 380 104 ILE CG1 C 29.35 0.05 1 1079 380 104 ILE CG2 C 17.55 0.05 1 1080 380 104 ILE CD1 C 14.12 0.05 1 1081 380 104 ILE N N 119.97 0.05 1 1082 381 105 GLU H H 8.14 0.02 1 1083 381 105 GLU HA H 3.97 0.02 1 1084 381 105 GLU HB2 H 2.09 0.02 1 1085 381 105 GLU HB3 H 2.09 0.02 1 1086 381 105 GLU HG2 H 2.25 0.02 2 1087 381 105 GLU HG3 H 2.37 0.02 2 1088 381 105 GLU C C 178.44 0.05 1 1089 381 105 GLU CA C 59.26 0.05 1 1090 381 105 GLU CB C 29.57 0.05 1 1091 381 105 GLU CG C 36.06 0.05 1 1092 381 105 GLU N N 118.64 0.05 1 1093 382 106 GLN H H 7.71 0.02 1 1094 382 106 GLN HA H 4.04 0.02 1 1095 382 106 GLN HB2 H 2.08 0.02 1 1096 382 106 GLN HB3 H 2.08 0.02 1 1097 382 106 GLN HG2 H 2.32 0.02 1 1098 382 106 GLN HG3 H 2.32 0.02 1 1099 382 106 GLN HE21 H 7.12 0.02 2 1100 382 106 GLN HE22 H 6.77 0.02 2 1101 382 106 GLN C C 177.55 0.05 1 1102 382 106 GLN CA C 58.17 0.05 1 1103 382 106 GLN CB C 28.77 0.05 1 1104 382 106 GLN CG C 33.99 0.05 1 1105 382 106 GLN N N 117.77 0.05 1 1106 382 106 GLN NE2 N 111.40 0.05 1 1107 383 107 PHE H H 7.88 0.02 1 1108 383 107 PHE HA H 4.49 0.02 1 1109 383 107 PHE HB2 H 3.17 0.02 2 1110 383 107 PHE HB3 H 3.23 0.02 2 1111 383 107 PHE HD1 H 7.19 0.02 1 1112 383 107 PHE HD2 H 7.19 0.02 1 1113 383 107 PHE HE1 H 7.17 0.02 1 1114 383 107 PHE HE2 H 7.17 0.02 1 1115 383 107 PHE HZ H 7.08 0.02 1 1116 383 107 PHE C C 176.57 0.05 1 1117 383 107 PHE CA C 59.36 0.05 1 1118 383 107 PHE CB C 38.76 0.05 1 1119 383 107 PHE N N 118.75 0.05 1 1120 384 108 ILE H H 7.95 0.02 1 1121 384 108 ILE HA H 3.72 0.02 1 1122 384 108 ILE HB H 1.96 0.02 1 1123 384 108 ILE HG12 H 1.18 0.02 2 1124 384 108 ILE HG13 H 1.64 0.02 2 1125 384 108 ILE HG2 H 0.85 0.02 1 1126 384 108 ILE HD1 H 0.79 0.02 1 1127 384 108 ILE C C 177.45 0.05 1 1128 384 108 ILE CA C 64.28 0.05 1 1129 384 108 ILE CB C 37.87 0.05 1 1130 384 108 ILE CG1 C 28.55 0.05 1 1131 384 108 ILE CG2 C 17.54 0.05 1 1132 384 108 ILE CD1 C 13.38 0.05 1 1133 384 108 ILE N N 118.20 0.05 1 1134 385 109 ASP H H 7.84 0.02 1 1135 385 109 ASP HA H 4.44 0.02 1 1136 385 109 ASP HB2 H 2.59 0.02 1 1137 385 109 ASP HB3 H 2.59 0.02 1 1138 385 109 ASP C C 177.62 0.05 1 1139 385 109 ASP CA C 56.50 0.05 1 1140 385 109 ASP CB C 40.86 0.05 1 1141 385 109 ASP N N 119.75 0.05 1 1142 386 110 TYR H H 7.76 0.02 1 1143 386 110 TYR HA H 4.43 0.02 1 1144 386 110 TYR HB2 H 3.12 0.02 1 1145 386 110 TYR HB3 H 3.12 0.02 1 1146 386 110 TYR HD1 H 7.08 0.02 1 1147 386 110 TYR HD2 H 7.08 0.02 1 1148 386 110 TYR HE1 H 6.77 0.02 1 1149 386 110 TYR HE2 H 6.77 0.02 1 1150 386 110 TYR C C 176.32 0.05 1 1151 386 110 TYR CA C 58.94 0.05 1 1152 386 110 TYR CB C 38.44 0.05 1 1153 386 110 TYR CE1 C 118.2 0.05 1 1154 386 110 TYR CE2 C 118.2 0.05 1 1155 386 110 TYR N N 118.37 0.05 1 1156 387 111 LEU H H 7.66 0.02 1 1157 387 111 LEU HA H 4.23 0.02 1 1158 387 111 LEU HB2 H 1.60 0.02 2 1159 387 111 LEU HB3 H 1.69 0.02 2 1160 387 111 LEU HG H 1.62 0.02 1 1161 387 111 LEU HD1 H 0.82 0.02 2 1162 387 111 LEU HD2 H 0.87 0.02 2 1163 387 111 LEU C C 175.90 0.05 1 1164 387 111 LEU CA C 55.09 0.05 1 1165 387 111 LEU CB C 42.67 0.05 1 1166 387 111 LEU CG C 26.87 0.05 1 1167 387 111 LEU CD1 C 23.55 0.05 2 1168 387 111 LEU CD2 C 25.51 0.05 2 1169 387 111 LEU N N 119.73 0.05 1 1170 388 112 ARG H H 7.45 0.02 1 1171 388 112 ARG HA H 4.15 0.02 1 1172 388 112 ARG HB2 H 1.77 0.02 1 1173 388 112 ARG HB3 H 1.77 0.02 1 1174 388 112 ARG CA C 58.14 0.05 1 1175 388 112 ARG CB C 27.13 0.05 1 1176 388 112 ARG CG C 24.68 0.05 1 1177 388 112 ARG CD C 41.79 0.05 1 1178 388 112 ARG N N 125.85 0.05 1 stop_ save_